USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 hydrogens (31 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 62:sc= 1.35 USER MOD Set 1.2: A 40 TYR OH : rot 9:sc= 1.67 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.0967) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -79:sc= 0.959 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0389 USER MOD Single : A 21 THR OG1 : rot -68:sc= 1.24 USER MOD Single : A 24 THR OG1 : rot -55:sc= 0.108 USER MOD Single : A 27 SER OG : rot -81:sc= 1.13 USER MOD Single : A 46 MET CE :methyl 167:sc= 0 (180deg=-0.126) USER MOD Single : A 48 THR OG1 : rot 78:sc= 0.958 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 40:sc= -0.739 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -40:sc= 0.707 USER MOD Single : A 79 ASN : amide:sc= 0.253 X(o=0.25,f=-0.061) USER MOD Single : A 87 SXH O33 : rot 27:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.009 -15.230 -1.151 1.00 5.89 N ATOM 2 CA MET A 1 15.826 -14.384 -1.145 1.00 5.39 C ATOM 3 C MET A 1 15.851 -13.506 0.080 1.00 4.66 C ATOM 4 O MET A 1 16.106 -13.983 1.188 1.00 4.91 O ATOM 5 CB MET A 1 14.538 -15.220 -1.190 1.00 5.72 C ATOM 6 CG MET A 1 14.362 -16.009 -2.476 1.00 6.12 C ATOM 7 SD MET A 1 12.849 -16.989 -2.503 1.00 6.79 S ATOM 8 CE MET A 1 12.980 -17.753 -4.121 1.00 7.46 C ATOM 0 H1 MET A 1 17.095 -15.700 -2.075 1.00 5.89 H new ATOM 0 H2 MET A 1 17.853 -14.648 -0.978 1.00 5.89 H new ATOM 0 H3 MET A 1 16.926 -15.949 -0.404 1.00 5.89 H new ATOM 0 HA MET A 1 15.836 -13.761 -2.039 1.00 5.39 H new ATOM 0 HB2 MET A 1 14.536 -15.912 -0.348 1.00 5.72 H new ATOM 0 HB3 MET A 1 13.682 -14.558 -1.061 1.00 5.72 H new ATOM 0 HG2 MET A 1 14.356 -15.320 -3.320 1.00 6.12 H new ATOM 0 HG3 MET A 1 15.218 -16.670 -2.610 1.00 6.12 H new ATOM 0 HE1 MET A 1 12.115 -18.394 -4.292 1.00 7.46 H new ATOM 0 HE2 MET A 1 13.014 -16.979 -4.887 1.00 7.46 H new ATOM 0 HE3 MET A 1 13.890 -18.351 -4.168 1.00 7.46 H new ATOM 20 N ALA A 2 15.584 -12.239 -0.112 1.00 4.17 N ATOM 21 CA ALA A 2 15.641 -11.262 0.953 1.00 3.77 C ATOM 22 C ALA A 2 14.239 -10.906 1.398 1.00 2.58 C ATOM 23 O ALA A 2 13.257 -11.384 0.809 1.00 2.61 O ATOM 24 CB ALA A 2 16.380 -10.018 0.475 1.00 4.69 C ATOM 0 H ALA A 2 15.319 -11.851 -1.017 1.00 4.17 H new ATOM 0 HA ALA A 2 16.180 -11.684 1.801 1.00 3.77 H new ATOM 0 HB1 ALA A 2 16.420 -9.286 1.282 1.00 4.69 H new ATOM 0 HB2 ALA A 2 17.394 -10.288 0.180 1.00 4.69 H new ATOM 0 HB3 ALA A 2 15.856 -9.589 -0.379 1.00 4.69 H new ATOM 30 N THR A 3 14.129 -10.089 2.416 1.00 2.17 N ATOM 31 CA THR A 3 12.840 -9.676 2.894 1.00 1.65 C ATOM 32 C THR A 3 12.244 -8.631 1.952 1.00 1.51 C ATOM 33 O THR A 3 12.696 -7.486 1.899 1.00 2.34 O ATOM 34 CB THR A 3 12.969 -9.091 4.298 1.00 2.61 C ATOM 35 OG1 THR A 3 13.608 -10.053 5.164 1.00 3.14 O ATOM 36 CG2 THR A 3 11.600 -8.734 4.871 1.00 3.14 C ATOM 0 H THR A 3 14.920 -9.698 2.928 1.00 2.17 H new ATOM 0 HA THR A 3 12.181 -10.543 2.927 1.00 1.65 H new ATOM 0 HB THR A 3 13.569 -8.183 4.236 1.00 2.61 H new ATOM 0 HG1 THR A 3 13.692 -9.677 6.065 1.00 3.14 H new ATOM 0 HG21 THR A 3 11.721 -8.319 5.872 1.00 3.14 H new ATOM 0 HG22 THR A 3 11.118 -7.997 4.229 1.00 3.14 H new ATOM 0 HG23 THR A 3 10.982 -9.630 4.922 1.00 3.14 H new ATOM 44 N LEU A 4 11.278 -9.054 1.183 1.00 1.02 N ATOM 45 CA LEU A 4 10.590 -8.192 0.271 1.00 0.89 C ATOM 46 C LEU A 4 9.141 -8.123 0.670 1.00 0.82 C ATOM 47 O LEU A 4 8.649 -9.006 1.378 1.00 1.00 O ATOM 48 CB LEU A 4 10.696 -8.723 -1.166 1.00 0.93 C ATOM 49 CG LEU A 4 12.105 -8.838 -1.754 1.00 1.05 C ATOM 50 CD1 LEU A 4 12.039 -9.451 -3.137 1.00 1.31 C ATOM 51 CD2 LEU A 4 12.783 -7.472 -1.814 1.00 1.09 C ATOM 0 H LEU A 4 10.945 -10.018 1.175 1.00 1.02 H new ATOM 0 HA LEU A 4 11.044 -7.202 0.308 1.00 0.89 H new ATOM 0 HB2 LEU A 4 10.232 -9.709 -1.200 1.00 0.93 H new ATOM 0 HB3 LEU A 4 10.109 -8.072 -1.814 1.00 0.93 H new ATOM 0 HG LEU A 4 12.698 -9.483 -1.105 1.00 1.05 H new ATOM 0 HD11 LEU A 4 13.045 -9.529 -3.549 1.00 1.31 H new ATOM 0 HD12 LEU A 4 11.594 -10.444 -3.074 1.00 1.31 H new ATOM 0 HD13 LEU A 4 11.430 -8.821 -3.785 1.00 1.31 H new ATOM 0 HD21 LEU A 4 13.782 -7.580 -2.235 1.00 1.09 H new ATOM 0 HD22 LEU A 4 12.195 -6.801 -2.441 1.00 1.09 H new ATOM 0 HD23 LEU A 4 12.856 -7.058 -0.809 1.00 1.09 H new ATOM 63 N LEU A 5 8.476 -7.082 0.259 1.00 0.69 N ATOM 64 CA LEU A 5 7.067 -6.961 0.491 1.00 0.62 C ATOM 65 C LEU A 5 6.432 -7.624 -0.711 1.00 0.51 C ATOM 66 O LEU A 5 6.720 -7.240 -1.839 1.00 0.50 O ATOM 67 CB LEU A 5 6.707 -5.447 0.584 1.00 0.64 C ATOM 68 CG LEU A 5 5.288 -5.039 1.067 1.00 0.71 C ATOM 69 CD1 LEU A 5 5.244 -3.560 1.353 1.00 1.14 C ATOM 70 CD2 LEU A 5 4.236 -5.349 0.047 1.00 1.01 C ATOM 0 H LEU A 5 8.893 -6.298 -0.243 1.00 0.69 H new ATOM 0 HA LEU A 5 6.724 -7.424 1.416 1.00 0.62 H new ATOM 0 HB2 LEU A 5 7.430 -4.977 1.251 1.00 0.64 H new ATOM 0 HB3 LEU A 5 6.856 -5.012 -0.404 1.00 0.64 H new ATOM 0 HG LEU A 5 5.083 -5.615 1.970 1.00 0.71 H new ATOM 0 HD11 LEU A 5 4.245 -3.284 1.691 1.00 1.14 H new ATOM 0 HD12 LEU A 5 5.969 -3.318 2.130 1.00 1.14 H new ATOM 0 HD13 LEU A 5 5.486 -3.007 0.446 1.00 1.14 H new ATOM 0 HD21 LEU A 5 3.260 -5.047 0.427 1.00 1.01 H new ATOM 0 HD22 LEU A 5 4.451 -4.806 -0.874 1.00 1.01 H new ATOM 0 HD23 LEU A 5 4.231 -6.420 -0.156 1.00 1.01 H new ATOM 82 N THR A 6 5.631 -8.606 -0.497 1.00 0.53 N ATOM 83 CA THR A 6 5.059 -9.322 -1.593 1.00 0.54 C ATOM 84 C THR A 6 3.619 -8.907 -1.819 1.00 0.47 C ATOM 85 O THR A 6 3.079 -8.065 -1.081 1.00 0.45 O ATOM 86 CB THR A 6 5.119 -10.842 -1.345 1.00 0.74 C ATOM 87 OG1 THR A 6 4.372 -11.164 -0.158 1.00 0.84 O ATOM 88 CG2 THR A 6 6.562 -11.310 -1.179 1.00 1.01 C ATOM 0 H THR A 6 5.353 -8.937 0.427 1.00 0.53 H new ATOM 0 HA THR A 6 5.642 -9.081 -2.482 1.00 0.54 H new ATOM 0 HB THR A 6 4.687 -11.350 -2.207 1.00 0.74 H new ATOM 0 HG1 THR A 6 4.910 -10.955 0.634 1.00 0.84 H new ATOM 0 HG21 THR A 6 6.578 -12.386 -1.005 1.00 1.01 H new ATOM 0 HG22 THR A 6 7.125 -11.080 -2.083 1.00 1.01 H new ATOM 0 HG23 THR A 6 7.015 -10.799 -0.330 1.00 1.01 H new ATOM 96 N THR A 7 2.985 -9.507 -2.814 1.00 0.53 N ATOM 97 CA THR A 7 1.577 -9.312 -3.070 1.00 0.55 C ATOM 98 C THR A 7 0.771 -9.714 -1.809 1.00 0.49 C ATOM 99 O THR A 7 -0.281 -9.145 -1.515 1.00 0.47 O ATOM 100 CB THR A 7 1.140 -10.163 -4.276 1.00 0.73 C ATOM 101 OG1 THR A 7 2.157 -10.066 -5.297 1.00 0.83 O ATOM 102 CG2 THR A 7 -0.186 -9.667 -4.845 1.00 0.95 C ATOM 0 H THR A 7 3.440 -10.145 -3.467 1.00 0.53 H new ATOM 0 HA THR A 7 1.388 -8.263 -3.300 1.00 0.55 H new ATOM 0 HB THR A 7 1.010 -11.196 -3.952 1.00 0.73 H new ATOM 0 HG1 THR A 7 1.894 -10.605 -6.072 1.00 0.83 H new ATOM 0 HG21 THR A 7 -0.471 -10.286 -5.696 1.00 0.95 H new ATOM 0 HG22 THR A 7 -0.957 -9.728 -4.077 1.00 0.95 H new ATOM 0 HG23 THR A 7 -0.078 -8.632 -5.169 1.00 0.95 H new ATOM 110 N ASP A 8 1.325 -10.669 -1.052 1.00 0.57 N ATOM 111 CA ASP A 8 0.728 -11.150 0.181 1.00 0.61 C ATOM 112 C ASP A 8 0.849 -10.117 1.286 1.00 0.54 C ATOM 113 O ASP A 8 -0.137 -9.802 1.960 1.00 0.53 O ATOM 114 CB ASP A 8 1.376 -12.456 0.623 1.00 0.81 C ATOM 115 CG ASP A 8 0.919 -12.874 1.996 1.00 1.41 C ATOM 116 OD1 ASP A 8 -0.259 -13.215 2.156 1.00 1.86 O ATOM 117 OD2 ASP A 8 1.729 -12.833 2.948 1.00 2.14 O ATOM 0 H ASP A 8 2.206 -11.127 -1.287 1.00 0.57 H new ATOM 0 HA ASP A 8 -0.329 -11.329 -0.014 1.00 0.61 H new ATOM 0 HB2 ASP A 8 1.136 -13.241 -0.094 1.00 0.81 H new ATOM 0 HB3 ASP A 8 2.460 -12.342 0.620 1.00 0.81 H new ATOM 122 N ASP A 9 2.042 -9.550 1.433 1.00 0.55 N ATOM 123 CA ASP A 9 2.299 -8.535 2.473 1.00 0.57 C ATOM 124 C ASP A 9 1.456 -7.313 2.206 1.00 0.50 C ATOM 125 O ASP A 9 0.902 -6.710 3.130 1.00 0.57 O ATOM 126 CB ASP A 9 3.772 -8.081 2.499 1.00 0.65 C ATOM 127 CG ASP A 9 4.779 -9.150 2.849 1.00 1.13 C ATOM 128 OD1 ASP A 9 5.222 -9.869 1.937 1.00 1.61 O ATOM 129 OD2 ASP A 9 5.196 -9.241 4.027 1.00 1.61 O ATOM 0 H ASP A 9 2.851 -9.769 0.851 1.00 0.55 H new ATOM 0 HA ASP A 9 2.053 -8.996 3.430 1.00 0.57 H new ATOM 0 HB2 ASP A 9 4.026 -7.675 1.520 1.00 0.65 H new ATOM 0 HB3 ASP A 9 3.870 -7.266 3.217 1.00 0.65 H new ATOM 134 N LEU A 10 1.345 -6.965 0.932 1.00 0.43 N ATOM 135 CA LEU A 10 0.562 -5.824 0.509 1.00 0.43 C ATOM 136 C LEU A 10 -0.912 -6.095 0.788 1.00 0.41 C ATOM 137 O LEU A 10 -1.612 -5.236 1.320 1.00 0.47 O ATOM 138 CB LEU A 10 0.796 -5.549 -0.985 1.00 0.46 C ATOM 139 CG LEU A 10 0.211 -4.248 -1.543 1.00 0.57 C ATOM 140 CD1 LEU A 10 0.833 -3.040 -0.860 1.00 0.88 C ATOM 141 CD2 LEU A 10 0.430 -4.178 -3.040 1.00 0.79 C ATOM 0 H LEU A 10 1.796 -7.468 0.168 1.00 0.43 H new ATOM 0 HA LEU A 10 0.869 -4.939 1.067 1.00 0.43 H new ATOM 0 HB2 LEU A 10 1.871 -5.544 -1.166 1.00 0.46 H new ATOM 0 HB3 LEU A 10 0.380 -6.381 -1.554 1.00 0.46 H new ATOM 0 HG LEU A 10 -0.860 -4.238 -1.343 1.00 0.57 H new ATOM 0 HD11 LEU A 10 0.403 -2.127 -1.272 1.00 0.88 H new ATOM 0 HD12 LEU A 10 0.633 -3.084 0.211 1.00 0.88 H new ATOM 0 HD13 LEU A 10 1.910 -3.041 -1.028 1.00 0.88 H new ATOM 0 HD21 LEU A 10 0.010 -3.249 -3.426 1.00 0.79 H new ATOM 0 HD22 LEU A 10 1.498 -4.210 -3.253 1.00 0.79 H new ATOM 0 HD23 LEU A 10 -0.061 -5.025 -3.520 1.00 0.79 H new ATOM 153 N ARG A 11 -1.364 -7.306 0.433 1.00 0.39 N ATOM 154 CA ARG A 11 -2.727 -7.766 0.712 1.00 0.44 C ATOM 155 C ARG A 11 -3.052 -7.586 2.184 1.00 0.44 C ATOM 156 O ARG A 11 -3.968 -6.868 2.538 1.00 0.48 O ATOM 157 CB ARG A 11 -2.898 -9.249 0.300 1.00 0.52 C ATOM 158 CG ARG A 11 -4.265 -9.844 0.626 1.00 0.70 C ATOM 159 CD ARG A 11 -4.394 -11.296 0.155 1.00 0.85 C ATOM 160 NE ARG A 11 -3.381 -12.192 0.739 1.00 1.22 N ATOM 161 CZ ARG A 11 -3.481 -13.541 0.801 1.00 1.67 C ATOM 162 NH1 ARG A 11 -4.610 -14.162 0.456 1.00 2.17 N ATOM 163 NH2 ARG A 11 -2.460 -14.255 1.245 1.00 2.23 N ATOM 0 H ARG A 11 -0.792 -7.994 -0.057 1.00 0.39 H new ATOM 0 HA ARG A 11 -3.421 -7.165 0.124 1.00 0.44 H new ATOM 0 HB2 ARG A 11 -2.724 -9.337 -0.772 1.00 0.52 H new ATOM 0 HB3 ARG A 11 -2.130 -9.842 0.797 1.00 0.52 H new ATOM 0 HG2 ARG A 11 -4.432 -9.797 1.702 1.00 0.70 H new ATOM 0 HG3 ARG A 11 -5.042 -9.241 0.156 1.00 0.70 H new ATOM 0 HD2 ARG A 11 -5.387 -11.666 0.411 1.00 0.85 H new ATOM 0 HD3 ARG A 11 -4.312 -11.326 -0.932 1.00 0.85 H new ATOM 0 HE ARG A 11 -2.540 -11.764 1.126 1.00 1.22 H new ATOM 0 HH11 ARG A 11 -5.414 -13.620 0.140 1.00 2.17 H new ATOM 0 HH12 ARG A 11 -4.669 -15.179 0.508 1.00 2.17 H new ATOM 0 HH21 ARG A 11 -1.602 -13.789 1.539 1.00 2.23 H new ATOM 0 HH22 ARG A 11 -2.531 -15.271 1.293 1.00 2.23 H new ATOM 177 N ARG A 12 -2.246 -8.202 3.014 1.00 0.47 N ATOM 178 CA ARG A 12 -2.409 -8.185 4.461 1.00 0.54 C ATOM 179 C ARG A 12 -2.403 -6.769 5.033 1.00 0.54 C ATOM 180 O ARG A 12 -3.154 -6.472 5.941 1.00 0.62 O ATOM 181 CB ARG A 12 -1.337 -9.059 5.096 1.00 0.64 C ATOM 182 CG ARG A 12 -1.559 -10.537 4.833 1.00 1.04 C ATOM 183 CD ARG A 12 -0.288 -11.351 4.966 1.00 1.27 C ATOM 184 NE ARG A 12 0.386 -11.218 6.257 1.00 1.78 N ATOM 185 CZ ARG A 12 1.634 -11.656 6.489 1.00 2.34 C ATOM 186 NH1 ARG A 12 2.330 -12.249 5.504 1.00 2.59 N ATOM 187 NH2 ARG A 12 2.189 -11.486 7.688 1.00 3.25 N ATOM 0 H ARG A 12 -1.439 -8.743 2.703 1.00 0.47 H new ATOM 0 HA ARG A 12 -3.390 -8.593 4.703 1.00 0.54 H new ATOM 0 HB2 ARG A 12 -0.360 -8.768 4.710 1.00 0.64 H new ATOM 0 HB3 ARG A 12 -1.320 -8.883 6.172 1.00 0.64 H new ATOM 0 HG2 ARG A 12 -2.305 -10.918 5.531 1.00 1.04 H new ATOM 0 HG3 ARG A 12 -1.965 -10.667 3.830 1.00 1.04 H new ATOM 0 HD2 ARG A 12 -0.526 -12.402 4.801 1.00 1.27 H new ATOM 0 HD3 ARG A 12 0.403 -11.053 4.177 1.00 1.27 H new ATOM 0 HE ARG A 12 -0.118 -10.769 7.021 1.00 1.78 H new ATOM 0 HH11 ARG A 12 1.910 -12.366 4.582 1.00 2.59 H new ATOM 0 HH12 ARG A 12 3.278 -12.582 5.679 1.00 2.59 H new ATOM 0 HH21 ARG A 12 1.666 -11.023 8.431 1.00 3.25 H new ATOM 0 HH22 ARG A 12 3.137 -11.819 7.863 1.00 3.25 H new ATOM 201 N ALA A 13 -1.559 -5.907 4.497 1.00 0.52 N ATOM 202 CA ALA A 13 -1.510 -4.527 4.945 1.00 0.59 C ATOM 203 C ALA A 13 -2.810 -3.812 4.611 1.00 0.59 C ATOM 204 O ALA A 13 -3.484 -3.275 5.493 1.00 0.69 O ATOM 205 CB ALA A 13 -0.332 -3.797 4.311 1.00 0.66 C ATOM 0 H ALA A 13 -0.900 -6.137 3.753 1.00 0.52 H new ATOM 0 HA ALA A 13 -1.378 -4.525 6.027 1.00 0.59 H new ATOM 0 HB1 ALA A 13 -0.313 -2.764 4.660 1.00 0.66 H new ATOM 0 HB2 ALA A 13 0.597 -4.292 4.593 1.00 0.66 H new ATOM 0 HB3 ALA A 13 -0.436 -3.812 3.226 1.00 0.66 H new ATOM 211 N LEU A 14 -3.178 -3.862 3.342 1.00 0.52 N ATOM 212 CA LEU A 14 -4.342 -3.160 2.847 1.00 0.55 C ATOM 213 C LEU A 14 -5.653 -3.706 3.411 1.00 0.58 C ATOM 214 O LEU A 14 -6.477 -2.942 3.879 1.00 0.68 O ATOM 215 CB LEU A 14 -4.378 -3.145 1.312 1.00 0.52 C ATOM 216 CG LEU A 14 -3.194 -2.463 0.606 1.00 0.56 C ATOM 217 CD1 LEU A 14 -3.376 -2.499 -0.895 1.00 1.30 C ATOM 218 CD2 LEU A 14 -3.026 -1.031 1.075 1.00 1.05 C ATOM 0 H LEU A 14 -2.676 -4.391 2.629 1.00 0.52 H new ATOM 0 HA LEU A 14 -4.247 -2.134 3.202 1.00 0.55 H new ATOM 0 HB2 LEU A 14 -4.437 -4.176 0.962 1.00 0.52 H new ATOM 0 HB3 LEU A 14 -5.296 -2.648 0.997 1.00 0.52 H new ATOM 0 HG LEU A 14 -2.291 -3.016 0.866 1.00 0.56 H new ATOM 0 HD11 LEU A 14 -2.528 -2.012 -1.376 1.00 1.30 H new ATOM 0 HD12 LEU A 14 -3.437 -3.535 -1.229 1.00 1.30 H new ATOM 0 HD13 LEU A 14 -4.294 -1.977 -1.163 1.00 1.30 H new ATOM 0 HD21 LEU A 14 -2.181 -0.576 0.558 1.00 1.05 H new ATOM 0 HD22 LEU A 14 -3.933 -0.467 0.855 1.00 1.05 H new ATOM 0 HD23 LEU A 14 -2.843 -1.019 2.149 1.00 1.05 H new ATOM 230 N VAL A 15 -5.808 -5.011 3.405 1.00 0.57 N ATOM 231 CA VAL A 15 -7.061 -5.663 3.809 1.00 0.66 C ATOM 232 C VAL A 15 -7.393 -5.477 5.308 1.00 0.72 C ATOM 233 O VAL A 15 -8.563 -5.547 5.724 1.00 0.91 O ATOM 234 CB VAL A 15 -7.075 -7.170 3.378 1.00 0.70 C ATOM 235 CG1 VAL A 15 -8.314 -7.908 3.846 1.00 0.88 C ATOM 236 CG2 VAL A 15 -6.969 -7.262 1.875 1.00 1.01 C ATOM 0 H VAL A 15 -5.076 -5.662 3.122 1.00 0.57 H new ATOM 0 HA VAL A 15 -7.864 -5.156 3.274 1.00 0.66 H new ATOM 0 HB VAL A 15 -6.220 -7.649 3.855 1.00 0.70 H new ATOM 0 HG11 VAL A 15 -8.265 -8.946 3.517 1.00 0.88 H new ATOM 0 HG12 VAL A 15 -8.368 -7.874 4.934 1.00 0.88 H new ATOM 0 HG13 VAL A 15 -9.201 -7.435 3.424 1.00 0.88 H new ATOM 0 HG21 VAL A 15 -6.979 -8.309 1.573 1.00 1.01 H new ATOM 0 HG22 VAL A 15 -7.813 -6.745 1.418 1.00 1.01 H new ATOM 0 HG23 VAL A 15 -6.039 -6.798 1.547 1.00 1.01 H new ATOM 246 N GLU A 16 -6.395 -5.178 6.103 1.00 0.66 N ATOM 247 CA GLU A 16 -6.622 -4.953 7.513 1.00 0.79 C ATOM 248 C GLU A 16 -7.162 -3.554 7.785 1.00 0.83 C ATOM 249 O GLU A 16 -8.094 -3.385 8.571 1.00 0.98 O ATOM 250 CB GLU A 16 -5.374 -5.227 8.327 1.00 0.94 C ATOM 251 CG GLU A 16 -4.995 -6.691 8.405 1.00 1.08 C ATOM 252 CD GLU A 16 -3.719 -6.905 9.169 1.00 1.28 C ATOM 253 OE1 GLU A 16 -3.295 -6.001 9.910 1.00 1.49 O ATOM 254 OE2 GLU A 16 -3.117 -7.999 9.067 1.00 1.71 O ATOM 0 H GLU A 16 -5.425 -5.085 5.803 1.00 0.66 H new ATOM 0 HA GLU A 16 -7.386 -5.663 7.830 1.00 0.79 H new ATOM 0 HB2 GLU A 16 -4.542 -4.670 7.895 1.00 0.94 H new ATOM 0 HB3 GLU A 16 -5.522 -4.847 9.338 1.00 0.94 H new ATOM 0 HG2 GLU A 16 -5.801 -7.249 8.883 1.00 1.08 H new ATOM 0 HG3 GLU A 16 -4.885 -7.091 7.397 1.00 1.08 H new ATOM 261 N SER A 17 -6.594 -2.565 7.139 1.00 0.77 N ATOM 262 CA SER A 17 -7.025 -1.200 7.313 1.00 0.91 C ATOM 263 C SER A 17 -8.243 -0.843 6.438 1.00 0.95 C ATOM 264 O SER A 17 -8.916 0.170 6.680 1.00 1.24 O ATOM 265 CB SER A 17 -5.846 -0.270 7.096 1.00 0.98 C ATOM 266 OG SER A 17 -5.005 -0.783 6.072 1.00 1.24 O ATOM 0 H SER A 17 -5.824 -2.683 6.481 1.00 0.77 H new ATOM 0 HA SER A 17 -7.377 -1.074 8.337 1.00 0.91 H new ATOM 0 HB2 SER A 17 -6.201 0.723 6.823 1.00 0.98 H new ATOM 0 HB3 SER A 17 -5.281 -0.163 8.022 1.00 0.98 H new ATOM 0 HG SER A 17 -5.507 -0.836 5.232 1.00 1.24 H new ATOM 272 N ALA A 18 -8.520 -1.665 5.433 1.00 0.83 N ATOM 273 CA ALA A 18 -9.677 -1.476 4.581 1.00 0.94 C ATOM 274 C ALA A 18 -10.020 -2.761 3.863 1.00 1.41 C ATOM 275 O ALA A 18 -9.255 -3.267 3.048 1.00 2.05 O ATOM 276 CB ALA A 18 -9.467 -0.348 3.582 1.00 1.05 C ATOM 0 H ALA A 18 -7.950 -2.475 5.190 1.00 0.83 H new ATOM 0 HA ALA A 18 -10.513 -1.194 5.222 1.00 0.94 H new ATOM 0 HB1 ALA A 18 -10.358 -0.240 2.963 1.00 1.05 H new ATOM 0 HB2 ALA A 18 -9.282 0.583 4.118 1.00 1.05 H new ATOM 0 HB3 ALA A 18 -8.611 -0.578 2.948 1.00 1.05 H new ATOM 282 N GLY A 19 -11.147 -3.288 4.202 1.00 1.80 N ATOM 283 CA GLY A 19 -11.646 -4.481 3.615 1.00 2.47 C ATOM 284 C GLY A 19 -13.101 -4.566 3.912 1.00 2.48 C ATOM 285 O GLY A 19 -13.588 -3.833 4.790 1.00 3.01 O ATOM 0 H GLY A 19 -11.761 -2.890 4.913 1.00 1.80 H new ATOM 0 HA2 GLY A 19 -11.477 -4.476 2.538 1.00 2.47 H new ATOM 0 HA3 GLY A 19 -11.124 -5.350 4.015 1.00 2.47 H new ATOM 289 N GLU A 20 -13.797 -5.421 3.243 1.00 2.56 N ATOM 290 CA GLU A 20 -15.204 -5.531 3.445 1.00 2.99 C ATOM 291 C GLU A 20 -15.652 -6.973 3.402 1.00 3.37 C ATOM 292 O GLU A 20 -16.018 -7.492 2.340 1.00 3.90 O ATOM 293 CB GLU A 20 -16.001 -4.641 2.467 1.00 3.57 C ATOM 294 CG GLU A 20 -17.515 -4.709 2.650 1.00 4.14 C ATOM 295 CD GLU A 20 -17.932 -4.468 4.078 1.00 4.54 C ATOM 296 OE1 GLU A 20 -18.062 -3.300 4.485 1.00 4.80 O ATOM 297 OE2 GLU A 20 -18.130 -5.463 4.832 1.00 4.96 O ATOM 0 H GLU A 20 -13.412 -6.059 2.546 1.00 2.56 H new ATOM 0 HA GLU A 20 -15.421 -5.156 4.445 1.00 2.99 H new ATOM 0 HB2 GLU A 20 -15.678 -3.607 2.589 1.00 3.57 H new ATOM 0 HB3 GLU A 20 -15.756 -4.933 1.446 1.00 3.57 H new ATOM 0 HG2 GLU A 20 -17.990 -3.969 2.006 1.00 4.14 H new ATOM 0 HG3 GLU A 20 -17.873 -5.687 2.330 1.00 4.14 H new ATOM 304 N THR A 21 -15.557 -7.608 4.563 1.00 3.68 N ATOM 305 CA THR A 21 -16.013 -8.969 4.816 1.00 4.48 C ATOM 306 C THR A 21 -15.719 -9.976 3.683 1.00 4.44 C ATOM 307 O THR A 21 -14.556 -10.299 3.425 1.00 4.98 O ATOM 308 CB THR A 21 -17.487 -8.994 5.286 1.00 5.48 C ATOM 309 OG1 THR A 21 -18.319 -8.169 4.437 1.00 5.80 O ATOM 310 CG2 THR A 21 -17.603 -8.520 6.717 1.00 6.23 C ATOM 0 H THR A 21 -15.144 -7.172 5.387 1.00 3.68 H new ATOM 0 HA THR A 21 -15.399 -9.332 5.641 1.00 4.48 H new ATOM 0 HB THR A 21 -17.832 -10.026 5.222 1.00 5.48 H new ATOM 0 HG1 THR A 21 -18.086 -7.226 4.568 1.00 5.80 H new ATOM 0 HG21 THR A 21 -18.648 -8.546 7.025 1.00 6.23 H new ATOM 0 HG22 THR A 21 -17.017 -9.172 7.365 1.00 6.23 H new ATOM 0 HG23 THR A 21 -17.228 -7.500 6.794 1.00 6.23 H new ATOM 318 N ASP A 22 -16.754 -10.449 3.019 1.00 4.14 N ATOM 319 CA ASP A 22 -16.618 -11.407 1.925 1.00 4.35 C ATOM 320 C ASP A 22 -17.608 -11.071 0.839 1.00 4.02 C ATOM 321 O ASP A 22 -18.682 -10.500 1.116 1.00 4.29 O ATOM 322 CB ASP A 22 -16.866 -12.866 2.386 1.00 4.92 C ATOM 323 CG ASP A 22 -15.829 -13.406 3.349 1.00 5.42 C ATOM 324 OD1 ASP A 22 -14.746 -13.847 2.900 1.00 5.76 O ATOM 325 OD2 ASP A 22 -16.088 -13.410 4.575 1.00 5.81 O ATOM 0 H ASP A 22 -17.718 -10.183 3.218 1.00 4.14 H new ATOM 0 HA ASP A 22 -15.594 -11.337 1.558 1.00 4.35 H new ATOM 0 HB2 ASP A 22 -17.847 -12.922 2.859 1.00 4.92 H new ATOM 0 HB3 ASP A 22 -16.898 -13.511 1.508 1.00 4.92 H new ATOM 330 N GLY A 23 -17.258 -11.381 -0.383 1.00 3.87 N ATOM 331 CA GLY A 23 -18.146 -11.164 -1.498 1.00 3.86 C ATOM 332 C GLY A 23 -17.435 -10.482 -2.638 1.00 3.70 C ATOM 333 O GLY A 23 -17.523 -10.908 -3.792 1.00 4.24 O ATOM 0 H GLY A 23 -16.357 -11.788 -0.633 1.00 3.87 H new ATOM 0 HA2 GLY A 23 -18.549 -12.119 -1.836 1.00 3.86 H new ATOM 0 HA3 GLY A 23 -18.993 -10.556 -1.179 1.00 3.86 H new ATOM 337 N THR A 24 -16.758 -9.425 -2.317 1.00 3.36 N ATOM 338 CA THR A 24 -15.986 -8.664 -3.256 1.00 3.53 C ATOM 339 C THR A 24 -14.944 -7.872 -2.446 1.00 2.73 C ATOM 340 O THR A 24 -14.780 -6.643 -2.558 1.00 3.11 O ATOM 341 CB THR A 24 -16.920 -7.748 -4.126 1.00 4.59 C ATOM 342 OG1 THR A 24 -16.180 -7.000 -5.107 1.00 5.10 O ATOM 343 CG2 THR A 24 -17.764 -6.811 -3.266 1.00 5.14 C ATOM 0 H THR A 24 -16.724 -9.054 -1.367 1.00 3.36 H new ATOM 0 HA THR A 24 -15.469 -9.307 -3.968 1.00 3.53 H new ATOM 0 HB THR A 24 -17.597 -8.418 -4.656 1.00 4.59 H new ATOM 0 HG1 THR A 24 -15.469 -6.493 -4.663 1.00 5.10 H new ATOM 0 HG21 THR A 24 -18.394 -6.196 -3.909 1.00 5.14 H new ATOM 0 HG22 THR A 24 -18.392 -7.399 -2.596 1.00 5.14 H new ATOM 0 HG23 THR A 24 -17.109 -6.168 -2.678 1.00 5.14 H new ATOM 351 N ASP A 25 -14.245 -8.610 -1.624 1.00 2.22 N ATOM 352 CA ASP A 25 -13.276 -8.052 -0.714 1.00 2.06 C ATOM 353 C ASP A 25 -11.910 -7.861 -1.399 1.00 1.66 C ATOM 354 O ASP A 25 -11.679 -8.364 -2.510 1.00 1.97 O ATOM 355 CB ASP A 25 -13.181 -8.946 0.528 1.00 2.79 C ATOM 356 CG ASP A 25 -12.192 -8.452 1.531 1.00 3.18 C ATOM 357 OD1 ASP A 25 -12.350 -7.338 2.031 1.00 3.73 O ATOM 358 OD2 ASP A 25 -11.236 -9.166 1.823 1.00 3.49 O ATOM 0 H ASP A 25 -14.332 -9.625 -1.566 1.00 2.22 H new ATOM 0 HA ASP A 25 -13.601 -7.059 -0.402 1.00 2.06 H new ATOM 0 HB2 ASP A 25 -14.163 -9.012 0.997 1.00 2.79 H new ATOM 0 HB3 ASP A 25 -12.906 -9.955 0.222 1.00 2.79 H new ATOM 363 N LEU A 26 -11.015 -7.145 -0.750 1.00 1.45 N ATOM 364 CA LEU A 26 -9.713 -6.838 -1.306 1.00 1.10 C ATOM 365 C LEU A 26 -8.707 -7.958 -1.059 1.00 1.10 C ATOM 366 O LEU A 26 -7.587 -7.913 -1.569 1.00 1.60 O ATOM 367 CB LEU A 26 -9.180 -5.526 -0.723 1.00 0.99 C ATOM 368 CG LEU A 26 -10.059 -4.293 -0.927 1.00 1.10 C ATOM 369 CD1 LEU A 26 -9.402 -3.069 -0.318 1.00 1.49 C ATOM 370 CD2 LEU A 26 -10.343 -4.071 -2.407 1.00 1.62 C ATOM 0 H LEU A 26 -11.170 -6.758 0.181 1.00 1.45 H new ATOM 0 HA LEU A 26 -9.839 -6.734 -2.384 1.00 1.10 H new ATOM 0 HB2 LEU A 26 -9.026 -5.664 0.347 1.00 0.99 H new ATOM 0 HB3 LEU A 26 -8.203 -5.327 -1.163 1.00 0.99 H new ATOM 0 HG LEU A 26 -11.010 -4.462 -0.422 1.00 1.10 H new ATOM 0 HD11 LEU A 26 -10.040 -2.199 -0.472 1.00 1.49 H new ATOM 0 HD12 LEU A 26 -9.256 -3.228 0.750 1.00 1.49 H new ATOM 0 HD13 LEU A 26 -8.437 -2.899 -0.795 1.00 1.49 H new ATOM 0 HD21 LEU A 26 -10.970 -3.188 -2.529 1.00 1.62 H new ATOM 0 HD22 LEU A 26 -9.403 -3.925 -2.940 1.00 1.62 H new ATOM 0 HD23 LEU A 26 -10.859 -4.941 -2.813 1.00 1.62 H new ATOM 382 N SER A 27 -9.077 -8.952 -0.271 1.00 1.08 N ATOM 383 CA SER A 27 -8.174 -10.045 -0.011 1.00 1.10 C ATOM 384 C SER A 27 -8.039 -10.955 -1.229 1.00 1.13 C ATOM 385 O SER A 27 -8.879 -11.824 -1.492 1.00 1.60 O ATOM 386 CB SER A 27 -8.559 -10.816 1.262 1.00 1.37 C ATOM 387 OG SER A 27 -9.906 -11.257 1.224 1.00 1.84 O ATOM 0 H SER A 27 -9.984 -9.020 0.191 1.00 1.08 H new ATOM 0 HA SER A 27 -7.188 -9.620 0.177 1.00 1.10 H new ATOM 0 HB2 SER A 27 -7.899 -11.675 1.380 1.00 1.37 H new ATOM 0 HB3 SER A 27 -8.410 -10.177 2.133 1.00 1.37 H new ATOM 0 HG SER A 27 -10.499 -10.519 1.477 1.00 1.84 H new ATOM 393 N GLY A 28 -7.029 -10.695 -2.008 1.00 0.95 N ATOM 394 CA GLY A 28 -6.758 -11.493 -3.166 1.00 1.09 C ATOM 395 C GLY A 28 -6.443 -10.629 -4.347 1.00 0.84 C ATOM 396 O GLY A 28 -5.269 -10.471 -4.722 1.00 1.04 O ATOM 0 H GLY A 28 -6.374 -9.928 -1.859 1.00 0.95 H new ATOM 0 HA2 GLY A 28 -5.920 -12.161 -2.965 1.00 1.09 H new ATOM 0 HA3 GLY A 28 -7.620 -12.122 -3.390 1.00 1.09 H new ATOM 400 N ASP A 29 -7.452 -10.016 -4.905 1.00 0.80 N ATOM 401 CA ASP A 29 -7.248 -9.182 -6.065 1.00 0.86 C ATOM 402 C ASP A 29 -7.516 -7.736 -5.713 1.00 0.77 C ATOM 403 O ASP A 29 -8.539 -7.425 -5.090 1.00 1.01 O ATOM 404 CB ASP A 29 -8.109 -9.630 -7.241 1.00 1.28 C ATOM 405 CG ASP A 29 -7.680 -8.953 -8.511 1.00 1.96 C ATOM 406 OD1 ASP A 29 -6.684 -9.403 -9.125 1.00 2.61 O ATOM 407 OD2 ASP A 29 -8.272 -7.935 -8.897 1.00 2.38 O ATOM 0 H ASP A 29 -8.417 -10.075 -4.581 1.00 0.80 H new ATOM 0 HA ASP A 29 -6.208 -9.282 -6.377 1.00 0.86 H new ATOM 0 HB2 ASP A 29 -8.036 -10.711 -7.359 1.00 1.28 H new ATOM 0 HB3 ASP A 29 -9.155 -9.401 -7.038 1.00 1.28 H new ATOM 412 N PHE A 30 -6.597 -6.859 -6.099 1.00 0.58 N ATOM 413 CA PHE A 30 -6.654 -5.437 -5.727 1.00 0.52 C ATOM 414 C PHE A 30 -5.525 -4.649 -6.410 1.00 0.46 C ATOM 415 O PHE A 30 -5.658 -3.469 -6.658 1.00 0.44 O ATOM 416 CB PHE A 30 -6.525 -5.264 -4.181 1.00 0.56 C ATOM 417 CG PHE A 30 -5.220 -5.782 -3.611 1.00 0.57 C ATOM 418 CD1 PHE A 30 -5.070 -7.117 -3.280 1.00 0.67 C ATOM 419 CD2 PHE A 30 -4.144 -4.934 -3.431 1.00 0.73 C ATOM 420 CE1 PHE A 30 -3.877 -7.592 -2.788 1.00 0.84 C ATOM 421 CE2 PHE A 30 -2.952 -5.404 -2.936 1.00 0.86 C ATOM 422 CZ PHE A 30 -2.817 -6.732 -2.616 1.00 0.89 C ATOM 0 H PHE A 30 -5.792 -7.104 -6.676 1.00 0.58 H new ATOM 0 HA PHE A 30 -7.618 -5.050 -6.057 1.00 0.52 H new ATOM 0 HB2 PHE A 30 -6.623 -4.207 -3.934 1.00 0.56 H new ATOM 0 HB3 PHE A 30 -7.353 -5.783 -3.697 1.00 0.56 H new ATOM 0 HD1 PHE A 30 -5.901 -7.795 -3.410 1.00 0.67 H new ATOM 0 HD2 PHE A 30 -4.241 -3.888 -3.683 1.00 0.73 H new ATOM 0 HE1 PHE A 30 -3.772 -8.637 -2.537 1.00 0.84 H new ATOM 0 HE2 PHE A 30 -2.121 -4.728 -2.799 1.00 0.86 H new ATOM 0 HZ PHE A 30 -1.879 -7.102 -2.229 1.00 0.89 H new ATOM 432 N LEU A 31 -4.414 -5.350 -6.695 1.00 0.48 N ATOM 433 CA LEU A 31 -3.164 -4.781 -7.249 1.00 0.49 C ATOM 434 C LEU A 31 -3.373 -3.924 -8.521 1.00 0.43 C ATOM 435 O LEU A 31 -2.604 -2.991 -8.786 1.00 0.46 O ATOM 436 CB LEU A 31 -2.173 -5.921 -7.532 1.00 0.62 C ATOM 437 CG LEU A 31 -0.730 -5.524 -7.844 1.00 0.73 C ATOM 438 CD1 LEU A 31 -0.096 -4.848 -6.646 1.00 1.15 C ATOM 439 CD2 LEU A 31 0.078 -6.743 -8.253 1.00 1.53 C ATOM 0 H LEU A 31 -4.355 -6.357 -6.544 1.00 0.48 H new ATOM 0 HA LEU A 31 -2.766 -4.100 -6.497 1.00 0.49 H new ATOM 0 HB2 LEU A 31 -2.163 -6.584 -6.667 1.00 0.62 H new ATOM 0 HB3 LEU A 31 -2.554 -6.501 -8.373 1.00 0.62 H new ATOM 0 HG LEU A 31 -0.738 -4.819 -8.675 1.00 0.73 H new ATOM 0 HD11 LEU A 31 0.931 -4.572 -6.885 1.00 1.15 H new ATOM 0 HD12 LEU A 31 -0.663 -3.952 -6.392 1.00 1.15 H new ATOM 0 HD13 LEU A 31 -0.099 -5.533 -5.798 1.00 1.15 H new ATOM 0 HD21 LEU A 31 1.103 -6.443 -8.472 1.00 1.53 H new ATOM 0 HD22 LEU A 31 0.078 -7.469 -7.440 1.00 1.53 H new ATOM 0 HD23 LEU A 31 -0.366 -7.193 -9.141 1.00 1.53 H new ATOM 451 N ASP A 32 -4.406 -4.240 -9.272 1.00 0.43 N ATOM 452 CA ASP A 32 -4.700 -3.569 -10.539 1.00 0.49 C ATOM 453 C ASP A 32 -5.640 -2.405 -10.344 1.00 0.41 C ATOM 454 O ASP A 32 -5.648 -1.457 -11.132 1.00 0.51 O ATOM 455 CB ASP A 32 -5.314 -4.565 -11.532 1.00 0.68 C ATOM 456 CG ASP A 32 -5.796 -3.916 -12.811 1.00 1.43 C ATOM 457 OD1 ASP A 32 -4.954 -3.538 -13.656 1.00 2.17 O ATOM 458 OD2 ASP A 32 -7.019 -3.797 -13.006 1.00 1.99 O ATOM 0 H ASP A 32 -5.074 -4.971 -9.028 1.00 0.43 H new ATOM 0 HA ASP A 32 -3.760 -3.185 -10.937 1.00 0.49 H new ATOM 0 HB2 ASP A 32 -4.574 -5.327 -11.776 1.00 0.68 H new ATOM 0 HB3 ASP A 32 -6.150 -5.075 -11.054 1.00 0.68 H new ATOM 463 N LEU A 33 -6.374 -2.437 -9.276 1.00 0.36 N ATOM 464 CA LEU A 33 -7.331 -1.405 -8.999 1.00 0.35 C ATOM 465 C LEU A 33 -6.601 -0.245 -8.401 1.00 0.32 C ATOM 466 O LEU A 33 -5.648 -0.432 -7.666 1.00 0.38 O ATOM 467 CB LEU A 33 -8.424 -1.877 -8.025 1.00 0.46 C ATOM 468 CG LEU A 33 -9.445 -2.922 -8.512 1.00 0.70 C ATOM 469 CD1 LEU A 33 -8.813 -4.286 -8.773 1.00 1.56 C ATOM 470 CD2 LEU A 33 -10.575 -3.036 -7.508 1.00 1.56 C ATOM 0 H LEU A 33 -6.329 -3.174 -8.573 1.00 0.36 H new ATOM 0 HA LEU A 33 -7.824 -1.127 -9.930 1.00 0.35 H new ATOM 0 HB2 LEU A 33 -7.928 -2.284 -7.144 1.00 0.46 H new ATOM 0 HB3 LEU A 33 -8.980 -0.998 -7.700 1.00 0.46 H new ATOM 0 HG LEU A 33 -9.838 -2.578 -9.469 1.00 0.70 H new ATOM 0 HD11 LEU A 33 -9.579 -4.983 -9.114 1.00 1.56 H new ATOM 0 HD12 LEU A 33 -8.043 -4.190 -9.539 1.00 1.56 H new ATOM 0 HD13 LEU A 33 -8.365 -4.661 -7.853 1.00 1.56 H new ATOM 0 HD21 LEU A 33 -11.296 -3.776 -7.855 1.00 1.56 H new ATOM 0 HD22 LEU A 33 -10.174 -3.344 -6.542 1.00 1.56 H new ATOM 0 HD23 LEU A 33 -11.068 -2.070 -7.404 1.00 1.56 H new ATOM 482 N ARG A 34 -7.020 0.939 -8.714 1.00 0.39 N ATOM 483 CA ARG A 34 -6.357 2.103 -8.214 1.00 0.49 C ATOM 484 C ARG A 34 -6.780 2.307 -6.779 1.00 0.45 C ATOM 485 O ARG A 34 -7.783 1.720 -6.349 1.00 0.50 O ATOM 486 CB ARG A 34 -6.668 3.320 -9.094 1.00 0.73 C ATOM 487 CG ARG A 34 -6.313 3.069 -10.550 1.00 0.89 C ATOM 488 CD ARG A 34 -6.449 4.290 -11.419 1.00 0.95 C ATOM 489 NE ARG A 34 -6.114 3.989 -12.824 1.00 1.79 N ATOM 490 CZ ARG A 34 -5.323 4.745 -13.610 1.00 2.53 C ATOM 491 NH1 ARG A 34 -4.678 5.785 -13.114 1.00 2.76 N ATOM 492 NH2 ARG A 34 -5.154 4.428 -14.882 1.00 3.48 N ATOM 0 H ARG A 34 -7.822 1.127 -9.316 1.00 0.39 H new ATOM 0 HA ARG A 34 -5.275 1.972 -8.245 1.00 0.49 H new ATOM 0 HB2 ARG A 34 -7.727 3.564 -9.015 1.00 0.73 H new ATOM 0 HB3 ARG A 34 -6.113 4.184 -8.728 1.00 0.73 H new ATOM 0 HG2 ARG A 34 -5.288 2.704 -10.608 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -6.955 2.280 -10.942 1.00 0.89 H new ATOM 0 HD2 ARG A 34 -7.469 4.669 -11.360 1.00 0.95 H new ATOM 0 HD3 ARG A 34 -5.794 5.078 -11.048 1.00 0.95 H new ATOM 0 HE ARG A 34 -6.512 3.143 -13.232 1.00 1.79 H new ATOM 0 HH11 ARG A 34 -4.776 6.023 -12.127 1.00 2.76 H new ATOM 0 HH12 ARG A 34 -4.082 6.351 -13.718 1.00 2.76 H new ATOM 0 HH21 ARG A 34 -5.623 3.610 -15.270 1.00 3.48 H new ATOM 0 HH22 ARG A 34 -4.555 5.002 -15.475 1.00 3.48 H new ATOM 506 N PHE A 35 -6.026 3.080 -6.024 1.00 0.43 N ATOM 507 CA PHE A 35 -6.357 3.333 -4.624 1.00 0.43 C ATOM 508 C PHE A 35 -7.800 3.802 -4.447 1.00 0.48 C ATOM 509 O PHE A 35 -8.498 3.349 -3.547 1.00 0.52 O ATOM 510 CB PHE A 35 -5.343 4.249 -3.935 1.00 0.44 C ATOM 511 CG PHE A 35 -4.000 3.584 -3.734 1.00 0.47 C ATOM 512 CD1 PHE A 35 -3.849 2.586 -2.785 1.00 0.52 C ATOM 513 CD2 PHE A 35 -2.901 3.953 -4.480 1.00 0.53 C ATOM 514 CE1 PHE A 35 -2.630 1.968 -2.593 1.00 0.58 C ATOM 515 CE2 PHE A 35 -1.676 3.339 -4.292 1.00 0.59 C ATOM 516 CZ PHE A 35 -1.541 2.346 -3.348 1.00 0.60 C ATOM 0 H PHE A 35 -5.179 3.546 -6.350 1.00 0.43 H new ATOM 0 HA PHE A 35 -6.284 2.374 -4.110 1.00 0.43 H new ATOM 0 HB2 PHE A 35 -5.211 5.152 -4.531 1.00 0.44 H new ATOM 0 HB3 PHE A 35 -5.738 4.560 -2.968 1.00 0.44 H new ATOM 0 HD1 PHE A 35 -4.697 2.287 -2.187 1.00 0.52 H new ATOM 0 HD2 PHE A 35 -2.998 4.732 -5.221 1.00 0.53 H new ATOM 0 HE1 PHE A 35 -2.530 1.189 -1.852 1.00 0.58 H new ATOM 0 HE2 PHE A 35 -0.825 3.639 -4.886 1.00 0.59 H new ATOM 0 HZ PHE A 35 -0.585 1.865 -3.200 1.00 0.60 H new ATOM 526 N GLU A 36 -8.253 4.654 -5.351 1.00 0.53 N ATOM 527 CA GLU A 36 -9.636 5.121 -5.372 1.00 0.67 C ATOM 528 C GLU A 36 -10.661 3.971 -5.487 1.00 0.73 C ATOM 529 O GLU A 36 -11.775 4.078 -4.967 1.00 0.87 O ATOM 530 CB GLU A 36 -9.857 6.115 -6.498 1.00 0.75 C ATOM 531 CG GLU A 36 -9.520 5.597 -7.876 1.00 1.26 C ATOM 532 CD GLU A 36 -9.941 6.557 -8.936 1.00 1.59 C ATOM 533 OE1 GLU A 36 -9.230 7.559 -9.171 1.00 1.90 O ATOM 534 OE2 GLU A 36 -11.007 6.349 -9.533 1.00 2.04 O ATOM 0 H GLU A 36 -7.674 5.044 -6.094 1.00 0.53 H new ATOM 0 HA GLU A 36 -9.801 5.611 -4.413 1.00 0.67 H new ATOM 0 HB2 GLU A 36 -10.901 6.427 -6.488 1.00 0.75 H new ATOM 0 HB3 GLU A 36 -9.257 7.003 -6.302 1.00 0.75 H new ATOM 0 HG2 GLU A 36 -8.447 5.421 -7.948 1.00 1.26 H new ATOM 0 HG3 GLU A 36 -10.012 4.637 -8.036 1.00 1.26 H new ATOM 541 N ASP A 37 -10.265 2.869 -6.122 1.00 0.70 N ATOM 542 CA ASP A 37 -11.161 1.734 -6.354 1.00 0.83 C ATOM 543 C ASP A 37 -11.182 0.854 -5.134 1.00 0.82 C ATOM 544 O ASP A 37 -12.199 0.242 -4.812 1.00 0.98 O ATOM 545 CB ASP A 37 -10.708 0.853 -7.551 1.00 0.94 C ATOM 546 CG ASP A 37 -10.670 1.533 -8.901 1.00 1.41 C ATOM 547 OD1 ASP A 37 -11.751 1.819 -9.473 1.00 1.71 O ATOM 548 OD2 ASP A 37 -9.569 1.761 -9.432 1.00 2.12 O ATOM 0 H ASP A 37 -9.322 2.737 -6.488 1.00 0.70 H new ATOM 0 HA ASP A 37 -12.144 2.151 -6.574 1.00 0.83 H new ATOM 0 HB2 ASP A 37 -9.713 0.465 -7.334 1.00 0.94 H new ATOM 0 HB3 ASP A 37 -11.377 -0.005 -7.618 1.00 0.94 H new ATOM 553 N ILE A 38 -10.073 0.823 -4.423 1.00 0.68 N ATOM 554 CA ILE A 38 -9.951 -0.039 -3.259 1.00 0.70 C ATOM 555 C ILE A 38 -10.246 0.704 -1.955 1.00 0.72 C ATOM 556 O ILE A 38 -9.942 0.225 -0.872 1.00 0.82 O ATOM 557 CB ILE A 38 -8.568 -0.758 -3.178 1.00 0.69 C ATOM 558 CG1 ILE A 38 -7.415 0.257 -3.111 1.00 0.63 C ATOM 559 CG2 ILE A 38 -8.391 -1.694 -4.368 1.00 0.80 C ATOM 560 CD1 ILE A 38 -6.040 -0.370 -2.986 1.00 0.75 C ATOM 0 H ILE A 38 -9.245 1.382 -4.628 1.00 0.68 H new ATOM 0 HA ILE A 38 -10.711 -0.810 -3.388 1.00 0.70 H new ATOM 0 HB ILE A 38 -8.545 -1.347 -2.261 1.00 0.69 H new ATOM 0 HG12 ILE A 38 -7.439 0.877 -4.007 1.00 0.63 H new ATOM 0 HG13 ILE A 38 -7.578 0.920 -2.261 1.00 0.63 H new ATOM 0 HG21 ILE A 38 -7.423 -2.190 -4.300 1.00 0.80 H new ATOM 0 HG22 ILE A 38 -9.183 -2.443 -4.363 1.00 0.80 H new ATOM 0 HG23 ILE A 38 -8.441 -1.120 -5.293 1.00 0.80 H new ATOM 0 HD11 ILE A 38 -5.285 0.415 -2.945 1.00 0.75 H new ATOM 0 HD12 ILE A 38 -5.994 -0.966 -2.075 1.00 0.75 H new ATOM 0 HD13 ILE A 38 -5.852 -1.010 -3.848 1.00 0.75 H new ATOM 572 N GLY A 39 -10.904 1.851 -2.080 1.00 0.75 N ATOM 573 CA GLY A 39 -11.309 2.634 -0.918 1.00 0.87 C ATOM 574 C GLY A 39 -10.148 3.289 -0.198 1.00 0.68 C ATOM 575 O GLY A 39 -10.255 3.650 0.973 1.00 0.76 O ATOM 0 H GLY A 39 -11.169 2.260 -2.976 1.00 0.75 H new ATOM 0 HA2 GLY A 39 -12.011 3.405 -1.236 1.00 0.87 H new ATOM 0 HA3 GLY A 39 -11.841 1.987 -0.221 1.00 0.87 H new ATOM 579 N TYR A 40 -9.056 3.456 -0.885 1.00 0.55 N ATOM 580 CA TYR A 40 -7.897 4.048 -0.304 1.00 0.52 C ATOM 581 C TYR A 40 -7.745 5.485 -0.634 1.00 0.56 C ATOM 582 O TYR A 40 -7.325 5.861 -1.734 1.00 0.71 O ATOM 583 CB TYR A 40 -6.630 3.261 -0.585 1.00 0.60 C ATOM 584 CG TYR A 40 -6.368 2.268 0.485 1.00 0.55 C ATOM 585 CD1 TYR A 40 -7.013 1.050 0.514 1.00 0.75 C ATOM 586 CD2 TYR A 40 -5.501 2.579 1.508 1.00 0.62 C ATOM 587 CE1 TYR A 40 -6.808 0.173 1.545 1.00 0.94 C ATOM 588 CE2 TYR A 40 -5.277 1.709 2.533 1.00 0.79 C ATOM 589 CZ TYR A 40 -5.937 0.508 2.553 1.00 0.93 C ATOM 590 OH TYR A 40 -5.741 -0.349 3.592 1.00 1.21 O ATOM 0 H TYR A 40 -8.948 3.185 -1.862 1.00 0.55 H new ATOM 0 HA TYR A 40 -8.061 4.001 0.773 1.00 0.52 H new ATOM 0 HB2 TYR A 40 -6.721 2.751 -1.544 1.00 0.60 H new ATOM 0 HB3 TYR A 40 -5.785 3.944 -0.666 1.00 0.60 H new ATOM 0 HD1 TYR A 40 -7.688 0.784 -0.286 1.00 0.75 H new ATOM 0 HD2 TYR A 40 -4.989 3.530 1.498 1.00 0.62 H new ATOM 0 HE1 TYR A 40 -7.327 -0.774 1.566 1.00 0.94 H new ATOM 0 HE2 TYR A 40 -4.585 1.964 3.322 1.00 0.79 H new ATOM 0 HH TYR A 40 -6.178 -1.204 3.398 1.00 1.21 H new ATOM 600 N ASP A 41 -8.123 6.285 0.307 1.00 0.58 N ATOM 601 CA ASP A 41 -7.956 7.702 0.220 1.00 0.77 C ATOM 602 C ASP A 41 -6.579 8.052 0.735 1.00 0.91 C ATOM 603 O ASP A 41 -5.887 7.205 1.306 1.00 1.78 O ATOM 604 CB ASP A 41 -9.010 8.439 1.050 1.00 0.86 C ATOM 605 CG ASP A 41 -8.893 8.150 2.525 1.00 1.62 C ATOM 606 OD1 ASP A 41 -9.470 7.148 2.982 1.00 2.34 O ATOM 607 OD2 ASP A 41 -8.231 8.920 3.252 1.00 2.07 O ATOM 0 H ASP A 41 -8.563 5.970 1.172 1.00 0.58 H new ATOM 0 HA ASP A 41 -8.072 8.008 -0.820 1.00 0.77 H new ATOM 0 HB2 ASP A 41 -8.912 9.512 0.885 1.00 0.86 H new ATOM 0 HB3 ASP A 41 -10.004 8.153 0.705 1.00 0.86 H new ATOM 612 N SER A 42 -6.224 9.285 0.564 1.00 0.59 N ATOM 613 CA SER A 42 -4.942 9.847 0.935 1.00 0.58 C ATOM 614 C SER A 42 -4.530 9.528 2.396 1.00 0.51 C ATOM 615 O SER A 42 -3.388 9.152 2.667 1.00 0.51 O ATOM 616 CB SER A 42 -5.078 11.327 0.772 1.00 0.71 C ATOM 617 OG SER A 42 -6.248 11.742 1.564 1.00 0.97 O ATOM 0 H SER A 42 -6.846 9.973 0.140 1.00 0.59 H new ATOM 0 HA SER A 42 -4.165 9.414 0.305 1.00 0.58 H new ATOM 0 HB2 SER A 42 -4.179 11.837 1.117 1.00 0.71 H new ATOM 0 HB3 SER A 42 -5.210 11.589 -0.278 1.00 0.71 H new ATOM 622 N LEU A 43 -5.475 9.649 3.310 1.00 0.48 N ATOM 623 CA LEU A 43 -5.206 9.500 4.726 1.00 0.51 C ATOM 624 C LEU A 43 -4.978 8.021 5.038 1.00 0.46 C ATOM 625 O LEU A 43 -4.014 7.663 5.717 1.00 0.50 O ATOM 626 CB LEU A 43 -6.383 10.113 5.539 1.00 0.60 C ATOM 627 CG LEU A 43 -6.179 10.429 7.045 1.00 0.76 C ATOM 628 CD1 LEU A 43 -5.989 9.187 7.897 1.00 1.40 C ATOM 629 CD2 LEU A 43 -5.023 11.400 7.234 1.00 1.64 C ATOM 0 H LEU A 43 -6.450 9.853 3.091 1.00 0.48 H new ATOM 0 HA LEU A 43 -4.302 10.037 5.012 1.00 0.51 H new ATOM 0 HB2 LEU A 43 -6.675 11.040 5.046 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -7.228 9.430 5.459 1.00 0.60 H new ATOM 0 HG LEU A 43 -7.100 10.898 7.393 1.00 0.76 H new ATOM 0 HD11 LEU A 43 -5.852 9.478 8.938 1.00 1.40 H new ATOM 0 HD12 LEU A 43 -6.869 8.549 7.811 1.00 1.40 H new ATOM 0 HD13 LEU A 43 -5.110 8.641 7.554 1.00 1.40 H new ATOM 0 HD21 LEU A 43 -4.894 11.610 8.296 1.00 1.64 H new ATOM 0 HD22 LEU A 43 -4.108 10.958 6.838 1.00 1.64 H new ATOM 0 HD23 LEU A 43 -5.237 12.328 6.704 1.00 1.64 H new ATOM 641 N ALA A 44 -5.819 7.167 4.482 1.00 0.44 N ATOM 642 CA ALA A 44 -5.682 5.722 4.685 1.00 0.45 C ATOM 643 C ALA A 44 -4.385 5.233 4.046 1.00 0.41 C ATOM 644 O ALA A 44 -3.684 4.347 4.574 1.00 0.47 O ATOM 645 CB ALA A 44 -6.874 4.986 4.093 1.00 0.51 C ATOM 0 H ALA A 44 -6.602 7.440 3.888 1.00 0.44 H new ATOM 0 HA ALA A 44 -5.651 5.517 5.755 1.00 0.45 H new ATOM 0 HB1 ALA A 44 -6.756 3.914 4.253 1.00 0.51 H new ATOM 0 HB2 ALA A 44 -7.789 5.326 4.578 1.00 0.51 H new ATOM 0 HB3 ALA A 44 -6.933 5.189 3.024 1.00 0.51 H new ATOM 651 N LEU A 45 -4.062 5.836 2.930 1.00 0.39 N ATOM 652 CA LEU A 45 -2.867 5.540 2.196 1.00 0.42 C ATOM 653 C LEU A 45 -1.623 5.958 2.980 1.00 0.41 C ATOM 654 O LEU A 45 -0.652 5.203 3.044 1.00 0.44 O ATOM 655 CB LEU A 45 -2.928 6.232 0.832 1.00 0.50 C ATOM 656 CG LEU A 45 -1.726 6.087 -0.094 1.00 0.61 C ATOM 657 CD1 LEU A 45 -1.424 4.622 -0.375 1.00 1.19 C ATOM 658 CD2 LEU A 45 -2.013 6.823 -1.384 1.00 0.90 C ATOM 0 H LEU A 45 -4.637 6.561 2.501 1.00 0.39 H new ATOM 0 HA LEU A 45 -2.798 4.463 2.041 1.00 0.42 H new ATOM 0 HB2 LEU A 45 -3.804 5.855 0.304 1.00 0.50 H new ATOM 0 HB3 LEU A 45 -3.092 7.296 1.003 1.00 0.50 H new ATOM 0 HG LEU A 45 -0.848 6.516 0.390 1.00 0.61 H new ATOM 0 HD11 LEU A 45 -0.562 4.549 -1.038 1.00 1.19 H new ATOM 0 HD12 LEU A 45 -1.206 4.109 0.562 1.00 1.19 H new ATOM 0 HD13 LEU A 45 -2.288 4.157 -0.850 1.00 1.19 H new ATOM 0 HD21 LEU A 45 -1.160 6.727 -2.055 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -2.897 6.396 -1.857 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.189 7.877 -1.170 1.00 0.90 H new ATOM 670 N MET A 46 -1.665 7.130 3.611 1.00 0.42 N ATOM 671 CA MET A 46 -0.511 7.616 4.365 1.00 0.48 C ATOM 672 C MET A 46 -0.268 6.738 5.590 1.00 0.46 C ATOM 673 O MET A 46 0.879 6.458 5.932 1.00 0.53 O ATOM 674 CB MET A 46 -0.625 9.133 4.730 1.00 0.57 C ATOM 675 CG MET A 46 -1.533 9.507 5.909 1.00 0.58 C ATOM 676 SD MET A 46 -0.754 9.238 7.525 1.00 1.46 S ATOM 677 CE MET A 46 -2.058 9.769 8.625 1.00 1.78 C ATOM 0 H MET A 46 -2.473 7.753 3.616 1.00 0.42 H new ATOM 0 HA MET A 46 0.363 7.539 3.719 1.00 0.48 H new ATOM 0 HB2 MET A 46 0.377 9.504 4.945 1.00 0.57 H new ATOM 0 HB3 MET A 46 -0.980 9.666 3.848 1.00 0.57 H new ATOM 0 HG2 MET A 46 -1.819 10.555 5.821 1.00 0.58 H new ATOM 0 HG3 MET A 46 -2.450 8.921 5.853 1.00 0.58 H new ATOM 0 HE1 MET A 46 -1.827 9.453 9.642 1.00 1.78 H new ATOM 0 HE2 MET A 46 -2.141 10.855 8.593 1.00 1.78 H new ATOM 0 HE3 MET A 46 -3.002 9.323 8.312 1.00 1.78 H new ATOM 687 N GLU A 47 -1.358 6.268 6.221 1.00 0.44 N ATOM 688 CA GLU A 47 -1.243 5.370 7.363 1.00 0.49 C ATOM 689 C GLU A 47 -0.576 4.072 6.940 1.00 0.47 C ATOM 690 O GLU A 47 0.322 3.574 7.613 1.00 0.51 O ATOM 691 CB GLU A 47 -2.606 5.084 8.008 1.00 0.54 C ATOM 692 CG GLU A 47 -3.223 6.256 8.751 1.00 0.78 C ATOM 693 CD GLU A 47 -4.471 5.865 9.517 1.00 1.06 C ATOM 694 OE1 GLU A 47 -4.346 5.337 10.647 1.00 1.03 O ATOM 695 OE2 GLU A 47 -5.583 6.086 9.031 1.00 1.88 O ATOM 0 H GLU A 47 -2.316 6.497 5.956 1.00 0.44 H new ATOM 0 HA GLU A 47 -0.626 5.866 8.113 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -3.298 4.761 7.231 1.00 0.54 H new ATOM 0 HB3 GLU A 47 -2.495 4.251 8.702 1.00 0.54 H new ATOM 0 HG2 GLU A 47 -2.490 6.669 9.444 1.00 0.78 H new ATOM 0 HG3 GLU A 47 -3.469 7.044 8.039 1.00 0.78 H new ATOM 702 N THR A 48 -0.999 3.557 5.806 1.00 0.45 N ATOM 703 CA THR A 48 -0.442 2.350 5.245 1.00 0.48 C ATOM 704 C THR A 48 1.053 2.541 4.908 1.00 0.44 C ATOM 705 O THR A 48 1.884 1.687 5.237 1.00 0.46 O ATOM 706 CB THR A 48 -1.248 1.940 4.004 1.00 0.54 C ATOM 707 OG1 THR A 48 -2.624 1.783 4.397 1.00 0.63 O ATOM 708 CG2 THR A 48 -0.737 0.622 3.432 1.00 0.65 C ATOM 0 H THR A 48 -1.745 3.969 5.245 1.00 0.45 H new ATOM 0 HA THR A 48 -0.508 1.549 5.982 1.00 0.48 H new ATOM 0 HB THR A 48 -1.144 2.707 3.237 1.00 0.54 H new ATOM 0 HG1 THR A 48 -3.044 2.665 4.475 1.00 0.63 H new ATOM 0 HG21 THR A 48 -1.325 0.354 2.554 1.00 0.65 H new ATOM 0 HG22 THR A 48 0.310 0.730 3.149 1.00 0.65 H new ATOM 0 HG23 THR A 48 -0.831 -0.162 4.184 1.00 0.65 H new ATOM 716 N ALA A 49 1.379 3.660 4.260 1.00 0.45 N ATOM 717 CA ALA A 49 2.761 3.988 3.925 1.00 0.48 C ATOM 718 C ALA A 49 3.632 4.017 5.183 1.00 0.44 C ATOM 719 O ALA A 49 4.643 3.316 5.262 1.00 0.45 O ATOM 720 CB ALA A 49 2.831 5.325 3.193 1.00 0.57 C ATOM 0 H ALA A 49 0.699 4.357 3.956 1.00 0.45 H new ATOM 0 HA ALA A 49 3.145 3.212 3.263 1.00 0.48 H new ATOM 0 HB1 ALA A 49 3.869 5.553 2.951 1.00 0.57 H new ATOM 0 HB2 ALA A 49 2.248 5.267 2.274 1.00 0.57 H new ATOM 0 HB3 ALA A 49 2.426 6.111 3.831 1.00 0.57 H new ATOM 726 N ALA A 50 3.187 4.773 6.184 1.00 0.44 N ATOM 727 CA ALA A 50 3.907 4.914 7.454 1.00 0.46 C ATOM 728 C ALA A 50 4.046 3.567 8.168 1.00 0.44 C ATOM 729 O ALA A 50 5.047 3.309 8.849 1.00 0.44 O ATOM 730 CB ALA A 50 3.196 5.914 8.349 1.00 0.56 C ATOM 0 H ALA A 50 2.318 5.306 6.141 1.00 0.44 H new ATOM 0 HA ALA A 50 4.910 5.281 7.235 1.00 0.46 H new ATOM 0 HB1 ALA A 50 3.739 6.011 9.289 1.00 0.56 H new ATOM 0 HB2 ALA A 50 3.156 6.883 7.852 1.00 0.56 H new ATOM 0 HB3 ALA A 50 2.182 5.567 8.549 1.00 0.56 H new ATOM 736 N ARG A 51 3.042 2.726 8.013 1.00 0.46 N ATOM 737 CA ARG A 51 3.037 1.382 8.575 1.00 0.48 C ATOM 738 C ARG A 51 4.164 0.555 7.962 1.00 0.46 C ATOM 739 O ARG A 51 4.954 -0.071 8.670 1.00 0.49 O ATOM 740 CB ARG A 51 1.694 0.720 8.281 1.00 0.54 C ATOM 741 CG ARG A 51 1.561 -0.710 8.749 1.00 0.78 C ATOM 742 CD ARG A 51 0.229 -1.266 8.324 1.00 0.80 C ATOM 743 NE ARG A 51 0.024 -2.630 8.784 1.00 1.68 N ATOM 744 CZ ARG A 51 -1.160 -3.210 8.900 1.00 2.07 C ATOM 745 NH1 ARG A 51 -2.257 -2.598 8.434 1.00 1.80 N ATOM 746 NH2 ARG A 51 -1.236 -4.424 9.431 1.00 3.14 N ATOM 0 H ARG A 51 2.197 2.955 7.489 1.00 0.46 H new ATOM 0 HA ARG A 51 3.189 1.440 9.653 1.00 0.48 H new ATOM 0 HB2 ARG A 51 0.906 1.312 8.747 1.00 0.54 H new ATOM 0 HB3 ARG A 51 1.521 0.750 7.205 1.00 0.54 H new ATOM 0 HG2 ARG A 51 2.367 -1.315 8.333 1.00 0.78 H new ATOM 0 HG3 ARG A 51 1.655 -0.757 9.834 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -0.567 -0.631 8.713 1.00 0.80 H new ATOM 0 HD3 ARG A 51 0.157 -1.238 7.237 1.00 0.80 H new ATOM 0 HE ARG A 51 0.848 -3.177 9.034 1.00 1.68 H new ATOM 0 HH11 ARG A 51 -2.181 -1.683 7.989 1.00 1.80 H new ATOM 0 HH12 ARG A 51 -3.169 -3.047 8.524 1.00 1.80 H new ATOM 0 HH21 ARG A 51 -0.389 -4.898 9.744 1.00 3.14 H new ATOM 0 HH22 ARG A 51 -2.142 -4.883 9.527 1.00 3.14 H new ATOM 760 N LEU A 52 4.250 0.593 6.645 1.00 0.44 N ATOM 761 CA LEU A 52 5.256 -0.158 5.916 1.00 0.46 C ATOM 762 C LEU A 52 6.646 0.363 6.224 1.00 0.38 C ATOM 763 O LEU A 52 7.604 -0.417 6.310 1.00 0.40 O ATOM 764 CB LEU A 52 4.975 -0.126 4.414 1.00 0.55 C ATOM 765 CG LEU A 52 3.640 -0.740 3.987 1.00 0.70 C ATOM 766 CD1 LEU A 52 3.426 -0.577 2.495 1.00 0.83 C ATOM 767 CD2 LEU A 52 3.566 -2.211 4.381 1.00 0.80 C ATOM 0 H LEU A 52 3.628 1.143 6.053 1.00 0.44 H new ATOM 0 HA LEU A 52 5.209 -1.197 6.243 1.00 0.46 H new ATOM 0 HB2 LEU A 52 5.004 0.910 4.077 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.779 -0.651 3.899 1.00 0.55 H new ATOM 0 HG LEU A 52 2.844 -0.208 4.508 1.00 0.70 H new ATOM 0 HD11 LEU A 52 2.471 -1.021 2.214 1.00 0.83 H new ATOM 0 HD12 LEU A 52 3.422 0.483 2.242 1.00 0.83 H new ATOM 0 HD13 LEU A 52 4.231 -1.076 1.955 1.00 0.83 H new ATOM 0 HD21 LEU A 52 2.608 -2.624 4.066 1.00 0.80 H new ATOM 0 HD22 LEU A 52 4.374 -2.759 3.896 1.00 0.80 H new ATOM 0 HD23 LEU A 52 3.663 -2.303 5.463 1.00 0.80 H new ATOM 779 N GLU A 53 6.754 1.668 6.417 1.00 0.35 N ATOM 780 CA GLU A 53 8.012 2.284 6.788 1.00 0.33 C ATOM 781 C GLU A 53 8.519 1.726 8.099 1.00 0.34 C ATOM 782 O GLU A 53 9.615 1.177 8.152 1.00 0.41 O ATOM 783 CB GLU A 53 7.896 3.798 6.860 1.00 0.34 C ATOM 784 CG GLU A 53 7.648 4.437 5.520 1.00 0.35 C ATOM 785 CD GLU A 53 7.577 5.931 5.584 1.00 0.42 C ATOM 786 OE1 GLU A 53 8.638 6.584 5.510 1.00 0.49 O ATOM 787 OE2 GLU A 53 6.478 6.484 5.671 1.00 0.59 O ATOM 0 H GLU A 53 5.978 2.323 6.321 1.00 0.35 H new ATOM 0 HA GLU A 53 8.734 2.045 6.008 1.00 0.33 H new ATOM 0 HB2 GLU A 53 7.084 4.062 7.537 1.00 0.34 H new ATOM 0 HB3 GLU A 53 8.812 4.206 7.286 1.00 0.34 H new ATOM 0 HG2 GLU A 53 8.443 4.146 4.833 1.00 0.35 H new ATOM 0 HG3 GLU A 53 6.715 4.053 5.108 1.00 0.35 H new ATOM 794 N SER A 54 7.708 1.824 9.132 1.00 0.36 N ATOM 795 CA SER A 54 8.071 1.329 10.442 1.00 0.43 C ATOM 796 C SER A 54 8.266 -0.200 10.463 1.00 0.42 C ATOM 797 O SER A 54 9.148 -0.704 11.152 1.00 0.48 O ATOM 798 CB SER A 54 7.044 1.782 11.478 1.00 0.55 C ATOM 799 OG SER A 54 6.982 3.208 11.524 1.00 1.22 O ATOM 0 H SER A 54 6.781 2.248 9.087 1.00 0.36 H new ATOM 0 HA SER A 54 9.039 1.758 10.702 1.00 0.43 H new ATOM 0 HB2 SER A 54 6.063 1.376 11.229 1.00 0.55 H new ATOM 0 HB3 SER A 54 7.311 1.391 12.460 1.00 0.55 H new ATOM 0 HG SER A 54 6.319 3.485 12.190 1.00 1.22 H new ATOM 805 N ARG A 55 7.457 -0.926 9.705 1.00 0.44 N ATOM 806 CA ARG A 55 7.580 -2.377 9.657 1.00 0.51 C ATOM 807 C ARG A 55 8.894 -2.835 8.989 1.00 0.56 C ATOM 808 O ARG A 55 9.603 -3.684 9.522 1.00 0.64 O ATOM 809 CB ARG A 55 6.368 -3.030 8.963 1.00 0.60 C ATOM 810 CG ARG A 55 6.496 -4.543 8.844 1.00 0.77 C ATOM 811 CD ARG A 55 5.335 -5.186 8.105 1.00 0.95 C ATOM 812 NE ARG A 55 5.644 -6.591 7.819 1.00 1.51 N ATOM 813 CZ ARG A 55 5.193 -7.297 6.778 1.00 1.97 C ATOM 814 NH1 ARG A 55 4.133 -6.901 6.086 1.00 1.87 N ATOM 815 NH2 ARG A 55 5.761 -8.451 6.472 1.00 2.88 N ATOM 0 H ARG A 55 6.716 -0.540 9.120 1.00 0.44 H new ATOM 0 HA ARG A 55 7.603 -2.713 10.694 1.00 0.51 H new ATOM 0 HB2 ARG A 55 5.463 -2.790 9.522 1.00 0.60 H new ATOM 0 HB3 ARG A 55 6.251 -2.601 7.968 1.00 0.60 H new ATOM 0 HG2 ARG A 55 7.425 -4.783 8.327 1.00 0.77 H new ATOM 0 HG3 ARG A 55 6.566 -4.975 9.842 1.00 0.77 H new ATOM 0 HD2 ARG A 55 4.428 -5.119 8.706 1.00 0.95 H new ATOM 0 HD3 ARG A 55 5.142 -4.650 7.176 1.00 0.95 H new ATOM 0 HE ARG A 55 6.259 -7.073 8.474 1.00 1.51 H new ATOM 0 HH11 ARG A 55 3.646 -6.043 6.345 1.00 1.87 H new ATOM 0 HH12 ARG A 55 3.805 -7.454 5.295 1.00 1.87 H new ATOM 0 HH21 ARG A 55 6.541 -8.799 7.030 1.00 2.88 H new ATOM 0 HH22 ARG A 55 5.420 -8.993 5.678 1.00 2.88 H new ATOM 829 N TYR A 56 9.220 -2.272 7.840 1.00 0.56 N ATOM 830 CA TYR A 56 10.392 -2.729 7.089 1.00 0.67 C ATOM 831 C TYR A 56 11.660 -1.943 7.397 1.00 0.70 C ATOM 832 O TYR A 56 12.755 -2.386 7.062 1.00 0.86 O ATOM 833 CB TYR A 56 10.125 -2.710 5.582 1.00 0.75 C ATOM 834 CG TYR A 56 9.068 -3.684 5.121 1.00 0.85 C ATOM 835 CD1 TYR A 56 9.404 -4.987 4.786 1.00 1.09 C ATOM 836 CD2 TYR A 56 7.741 -3.301 5.014 1.00 0.82 C ATOM 837 CE1 TYR A 56 8.449 -5.881 4.356 1.00 1.24 C ATOM 838 CE2 TYR A 56 6.779 -4.184 4.584 1.00 0.96 C ATOM 839 CZ TYR A 56 7.138 -5.475 4.257 1.00 1.17 C ATOM 840 OH TYR A 56 6.186 -6.351 3.817 1.00 1.33 O ATOM 0 H TYR A 56 8.703 -1.508 7.405 1.00 0.56 H new ATOM 0 HA TYR A 56 10.565 -3.754 7.418 1.00 0.67 H new ATOM 0 HB2 TYR A 56 9.825 -1.703 5.292 1.00 0.75 H new ATOM 0 HB3 TYR A 56 11.056 -2.928 5.058 1.00 0.75 H new ATOM 0 HD1 TYR A 56 10.433 -5.306 4.864 1.00 1.09 H new ATOM 0 HD2 TYR A 56 7.457 -2.292 5.273 1.00 0.82 H new ATOM 0 HE1 TYR A 56 8.727 -6.892 4.099 1.00 1.24 H new ATOM 0 HE2 TYR A 56 5.749 -3.869 4.503 1.00 0.96 H new ATOM 0 HH TYR A 56 6.354 -7.237 4.202 1.00 1.33 H new ATOM 850 N GLY A 57 11.519 -0.796 8.013 1.00 0.61 N ATOM 851 CA GLY A 57 12.675 0.041 8.279 1.00 0.68 C ATOM 852 C GLY A 57 13.035 0.856 7.051 1.00 0.72 C ATOM 853 O GLY A 57 14.208 1.135 6.778 1.00 0.91 O ATOM 0 H GLY A 57 10.629 -0.419 8.339 1.00 0.61 H new ATOM 0 HA2 GLY A 57 12.464 0.707 9.116 1.00 0.68 H new ATOM 0 HA3 GLY A 57 13.522 -0.580 8.571 1.00 0.68 H new ATOM 857 N VAL A 58 12.021 1.217 6.299 1.00 0.62 N ATOM 858 CA VAL A 58 12.186 1.974 5.072 1.00 0.65 C ATOM 859 C VAL A 58 11.714 3.398 5.259 1.00 0.57 C ATOM 860 O VAL A 58 11.152 3.732 6.311 1.00 0.50 O ATOM 861 CB VAL A 58 11.489 1.331 3.834 1.00 0.67 C ATOM 862 CG1 VAL A 58 12.084 -0.026 3.526 1.00 0.81 C ATOM 863 CG2 VAL A 58 9.982 1.215 4.036 1.00 0.57 C ATOM 0 H VAL A 58 11.051 0.994 6.520 1.00 0.62 H new ATOM 0 HA VAL A 58 13.255 1.964 4.857 1.00 0.65 H new ATOM 0 HB VAL A 58 11.663 1.990 2.984 1.00 0.67 H new ATOM 0 HG11 VAL A 58 11.582 -0.455 2.659 1.00 0.81 H new ATOM 0 HG12 VAL A 58 13.147 0.083 3.313 1.00 0.81 H new ATOM 0 HG13 VAL A 58 11.952 -0.685 4.384 1.00 0.81 H new ATOM 0 HG21 VAL A 58 9.530 0.763 3.153 1.00 0.57 H new ATOM 0 HG22 VAL A 58 9.779 0.592 4.907 1.00 0.57 H new ATOM 0 HG23 VAL A 58 9.558 2.207 4.192 1.00 0.57 H new ATOM 873 N SER A 59 11.925 4.220 4.267 1.00 0.63 N ATOM 874 CA SER A 59 11.500 5.582 4.326 1.00 0.63 C ATOM 875 C SER A 59 10.874 5.945 2.976 1.00 0.62 C ATOM 876 O SER A 59 11.558 6.012 1.952 1.00 0.73 O ATOM 877 CB SER A 59 12.701 6.492 4.663 1.00 0.83 C ATOM 878 OG SER A 59 12.282 7.812 5.006 1.00 1.41 O ATOM 0 H SER A 59 12.395 3.960 3.400 1.00 0.63 H new ATOM 0 HA SER A 59 10.757 5.724 5.111 1.00 0.63 H new ATOM 0 HB2 SER A 59 13.263 6.061 5.492 1.00 0.83 H new ATOM 0 HB3 SER A 59 13.376 6.535 3.809 1.00 0.83 H new ATOM 0 HG SER A 59 13.067 8.360 5.215 1.00 1.41 H new ATOM 884 N ILE A 60 9.576 6.123 2.980 1.00 0.52 N ATOM 885 CA ILE A 60 8.817 6.403 1.779 1.00 0.53 C ATOM 886 C ILE A 60 8.625 7.901 1.629 1.00 0.59 C ATOM 887 O ILE A 60 7.974 8.530 2.473 1.00 0.67 O ATOM 888 CB ILE A 60 7.412 5.723 1.814 1.00 0.51 C ATOM 889 CG1 ILE A 60 7.543 4.207 1.986 1.00 0.50 C ATOM 890 CG2 ILE A 60 6.620 6.047 0.541 1.00 0.57 C ATOM 891 CD1 ILE A 60 6.214 3.498 2.162 1.00 0.55 C ATOM 0 H ILE A 60 9.007 6.078 3.825 1.00 0.52 H new ATOM 0 HA ILE A 60 9.379 6.002 0.936 1.00 0.53 H new ATOM 0 HB ILE A 60 6.869 6.121 2.671 1.00 0.51 H new ATOM 0 HG12 ILE A 60 8.053 3.794 1.116 1.00 0.50 H new ATOM 0 HG13 ILE A 60 8.172 4.001 2.852 1.00 0.50 H new ATOM 0 HG21 ILE A 60 5.644 5.563 0.586 1.00 0.57 H new ATOM 0 HG22 ILE A 60 6.487 7.126 0.460 1.00 0.57 H new ATOM 0 HG23 ILE A 60 7.165 5.683 -0.330 1.00 0.57 H new ATOM 0 HD11 ILE A 60 6.385 2.428 2.278 1.00 0.55 H new ATOM 0 HD12 ILE A 60 5.711 3.883 3.049 1.00 0.55 H new ATOM 0 HD13 ILE A 60 5.590 3.673 1.286 1.00 0.55 H new ATOM 903 N PRO A 61 9.209 8.507 0.596 1.00 0.62 N ATOM 904 CA PRO A 61 9.006 9.921 0.311 1.00 0.71 C ATOM 905 C PRO A 61 7.536 10.197 -0.011 1.00 0.65 C ATOM 906 O PRO A 61 6.880 9.398 -0.708 1.00 0.57 O ATOM 907 CB PRO A 61 9.869 10.171 -0.933 1.00 0.78 C ATOM 908 CG PRO A 61 10.844 9.049 -0.956 1.00 0.77 C ATOM 909 CD PRO A 61 10.135 7.878 -0.357 1.00 0.64 C ATOM 0 HA PRO A 61 9.270 10.561 1.153 1.00 0.71 H new ATOM 0 HB2 PRO A 61 9.262 10.185 -1.838 1.00 0.78 H new ATOM 0 HB3 PRO A 61 10.376 11.134 -0.874 1.00 0.78 H new ATOM 0 HG2 PRO A 61 11.165 8.832 -1.975 1.00 0.77 H new ATOM 0 HG3 PRO A 61 11.739 9.297 -0.385 1.00 0.77 H new ATOM 0 HD2 PRO A 61 9.605 7.297 -1.112 1.00 0.64 H new ATOM 0 HD3 PRO A 61 10.827 7.198 0.141 1.00 0.64 H new ATOM 917 N ASP A 62 7.022 11.311 0.485 1.00 0.75 N ATOM 918 CA ASP A 62 5.622 11.721 0.252 1.00 0.78 C ATOM 919 C ASP A 62 5.324 11.848 -1.244 1.00 0.68 C ATOM 920 O ASP A 62 4.181 11.657 -1.679 1.00 0.67 O ATOM 921 CB ASP A 62 5.272 13.053 0.964 1.00 0.99 C ATOM 922 CG ASP A 62 5.980 14.268 0.382 1.00 1.34 C ATOM 923 OD1 ASP A 62 5.457 14.884 -0.577 1.00 2.03 O ATOM 924 OD2 ASP A 62 7.093 14.618 0.862 1.00 1.88 O ATOM 0 H ASP A 62 7.552 11.964 1.061 1.00 0.75 H new ATOM 0 HA ASP A 62 4.998 10.935 0.678 1.00 0.78 H new ATOM 0 HB2 ASP A 62 4.195 13.211 0.908 1.00 0.99 H new ATOM 0 HB3 ASP A 62 5.528 12.967 2.020 1.00 0.99 H new ATOM 929 N ASP A 63 6.363 12.109 -2.044 1.00 0.67 N ATOM 930 CA ASP A 63 6.206 12.245 -3.497 1.00 0.67 C ATOM 931 C ASP A 63 5.881 10.899 -4.117 1.00 0.58 C ATOM 932 O ASP A 63 5.185 10.823 -5.119 1.00 0.60 O ATOM 933 CB ASP A 63 7.471 12.840 -4.144 1.00 0.85 C ATOM 934 CG ASP A 63 7.394 12.899 -5.667 1.00 1.44 C ATOM 935 OD1 ASP A 63 6.616 13.719 -6.214 1.00 1.95 O ATOM 936 OD2 ASP A 63 8.090 12.106 -6.336 1.00 2.23 O ATOM 0 H ASP A 63 7.320 12.230 -1.712 1.00 0.67 H new ATOM 0 HA ASP A 63 5.380 12.932 -3.684 1.00 0.67 H new ATOM 0 HB2 ASP A 63 7.632 13.846 -3.755 1.00 0.85 H new ATOM 0 HB3 ASP A 63 8.336 12.243 -3.853 1.00 0.85 H new ATOM 941 N VAL A 64 6.294 9.840 -3.460 1.00 0.60 N ATOM 942 CA VAL A 64 6.009 8.503 -3.925 1.00 0.64 C ATOM 943 C VAL A 64 4.553 8.209 -3.645 1.00 0.60 C ATOM 944 O VAL A 64 3.806 7.891 -4.550 1.00 0.58 O ATOM 945 CB VAL A 64 6.876 7.449 -3.206 1.00 0.84 C ATOM 946 CG1 VAL A 64 6.506 6.053 -3.678 1.00 0.97 C ATOM 947 CG2 VAL A 64 8.349 7.712 -3.449 1.00 0.98 C ATOM 0 H VAL A 64 6.833 9.880 -2.595 1.00 0.60 H new ATOM 0 HA VAL A 64 6.232 8.450 -4.991 1.00 0.64 H new ATOM 0 HB VAL A 64 6.686 7.520 -2.135 1.00 0.84 H new ATOM 0 HG11 VAL A 64 7.125 5.319 -3.163 1.00 0.97 H new ATOM 0 HG12 VAL A 64 5.456 5.861 -3.458 1.00 0.97 H new ATOM 0 HG13 VAL A 64 6.671 5.977 -4.753 1.00 0.97 H new ATOM 0 HG21 VAL A 64 8.943 6.958 -2.933 1.00 0.98 H new ATOM 0 HG22 VAL A 64 8.555 7.668 -4.518 1.00 0.98 H new ATOM 0 HG23 VAL A 64 8.609 8.700 -3.070 1.00 0.98 H new ATOM 957 N ALA A 65 4.149 8.380 -2.392 1.00 0.72 N ATOM 958 CA ALA A 65 2.770 8.112 -1.975 1.00 0.85 C ATOM 959 C ALA A 65 1.766 8.962 -2.768 1.00 0.80 C ATOM 960 O ALA A 65 0.642 8.545 -3.013 1.00 0.90 O ATOM 961 CB ALA A 65 2.614 8.349 -0.481 1.00 1.09 C ATOM 0 H ALA A 65 4.757 8.705 -1.640 1.00 0.72 H new ATOM 0 HA ALA A 65 2.553 7.065 -2.188 1.00 0.85 H new ATOM 0 HB1 ALA A 65 1.585 8.146 -0.186 1.00 1.09 H new ATOM 0 HB2 ALA A 65 3.285 7.686 0.065 1.00 1.09 H new ATOM 0 HB3 ALA A 65 2.860 9.385 -0.249 1.00 1.09 H new ATOM 967 N GLY A 66 2.202 10.134 -3.188 1.00 0.73 N ATOM 968 CA GLY A 66 1.356 11.002 -3.972 1.00 0.81 C ATOM 969 C GLY A 66 1.319 10.631 -5.452 1.00 0.73 C ATOM 970 O GLY A 66 0.380 10.987 -6.152 1.00 0.92 O ATOM 0 H GLY A 66 3.134 10.503 -2.999 1.00 0.73 H new ATOM 0 HA2 GLY A 66 0.343 10.970 -3.571 1.00 0.81 H new ATOM 0 HA3 GLY A 66 1.707 12.029 -3.870 1.00 0.81 H new ATOM 974 N ARG A 67 2.323 9.907 -5.931 1.00 0.56 N ATOM 975 CA ARG A 67 2.383 9.571 -7.359 1.00 0.61 C ATOM 976 C ARG A 67 1.899 8.144 -7.622 1.00 0.58 C ATOM 977 O ARG A 67 1.576 7.791 -8.764 1.00 0.79 O ATOM 978 CB ARG A 67 3.798 9.767 -7.929 1.00 0.63 C ATOM 979 CG ARG A 67 4.809 8.743 -7.457 1.00 0.57 C ATOM 980 CD ARG A 67 6.205 9.094 -7.899 1.00 0.87 C ATOM 981 NE ARG A 67 7.166 8.070 -7.497 1.00 1.64 N ATOM 982 CZ ARG A 67 8.389 8.303 -7.017 1.00 2.30 C ATOM 983 NH1 ARG A 67 8.773 9.535 -6.723 1.00 2.40 N ATOM 984 NH2 ARG A 67 9.218 7.293 -6.792 1.00 3.30 N ATOM 0 H ARG A 67 3.094 9.545 -5.370 1.00 0.56 H new ATOM 0 HA ARG A 67 1.711 10.259 -7.872 1.00 0.61 H new ATOM 0 HB2 ARG A 67 3.746 9.734 -9.017 1.00 0.63 H new ATOM 0 HB3 ARG A 67 4.152 10.761 -7.657 1.00 0.63 H new ATOM 0 HG2 ARG A 67 4.778 8.675 -6.370 1.00 0.57 H new ATOM 0 HG3 ARG A 67 4.540 7.761 -7.845 1.00 0.57 H new ATOM 0 HD2 ARG A 67 6.227 9.210 -8.983 1.00 0.87 H new ATOM 0 HD3 ARG A 67 6.493 10.054 -7.470 1.00 0.87 H new ATOM 0 HE ARG A 67 6.878 7.096 -7.591 1.00 1.64 H new ATOM 0 HH11 ARG A 67 8.132 10.316 -6.863 1.00 2.40 H new ATOM 0 HH12 ARG A 67 9.710 9.703 -6.357 1.00 2.40 H new ATOM 0 HH21 ARG A 67 8.921 6.337 -6.986 1.00 3.30 H new ATOM 0 HH22 ARG A 67 10.153 7.472 -6.425 1.00 3.30 H new ATOM 998 N VAL A 68 1.855 7.326 -6.586 1.00 0.45 N ATOM 999 CA VAL A 68 1.407 5.958 -6.741 1.00 0.45 C ATOM 1000 C VAL A 68 -0.116 5.905 -6.698 1.00 0.46 C ATOM 1001 O VAL A 68 -0.754 6.110 -5.667 1.00 0.53 O ATOM 1002 CB VAL A 68 2.075 4.967 -5.711 1.00 0.53 C ATOM 1003 CG1 VAL A 68 3.573 4.913 -5.932 1.00 1.45 C ATOM 1004 CG2 VAL A 68 1.790 5.320 -4.260 1.00 0.85 C ATOM 0 H VAL A 68 2.122 7.584 -5.636 1.00 0.45 H new ATOM 0 HA VAL A 68 1.737 5.608 -7.719 1.00 0.45 H new ATOM 0 HB VAL A 68 1.628 3.990 -5.895 1.00 0.53 H new ATOM 0 HG11 VAL A 68 4.022 4.226 -5.215 1.00 1.45 H new ATOM 0 HG12 VAL A 68 3.779 4.567 -6.945 1.00 1.45 H new ATOM 0 HG13 VAL A 68 3.997 5.908 -5.796 1.00 1.45 H new ATOM 0 HG21 VAL A 68 2.279 4.598 -3.607 1.00 0.85 H new ATOM 0 HG22 VAL A 68 2.171 6.319 -4.047 1.00 0.85 H new ATOM 0 HG23 VAL A 68 0.714 5.297 -4.085 1.00 0.85 H new ATOM 1014 N ASP A 69 -0.685 5.725 -7.851 1.00 0.47 N ATOM 1015 CA ASP A 69 -2.120 5.726 -8.006 1.00 0.53 C ATOM 1016 C ASP A 69 -2.640 4.293 -7.955 1.00 0.42 C ATOM 1017 O ASP A 69 -3.801 4.041 -7.635 1.00 0.48 O ATOM 1018 CB ASP A 69 -2.491 6.425 -9.316 1.00 0.71 C ATOM 1019 CG ASP A 69 -3.967 6.670 -9.491 1.00 1.34 C ATOM 1020 OD1 ASP A 69 -4.636 7.091 -8.540 1.00 1.82 O ATOM 1021 OD2 ASP A 69 -4.459 6.553 -10.617 1.00 2.04 O ATOM 0 H ASP A 69 -0.171 5.572 -8.719 1.00 0.47 H new ATOM 0 HA ASP A 69 -2.588 6.277 -7.191 1.00 0.53 H new ATOM 0 HB2 ASP A 69 -1.968 7.380 -9.366 1.00 0.71 H new ATOM 0 HB3 ASP A 69 -2.133 5.822 -10.150 1.00 0.71 H new ATOM 1026 N THR A 70 -1.750 3.358 -8.224 1.00 0.35 N ATOM 1027 CA THR A 70 -2.052 1.947 -8.157 1.00 0.29 C ATOM 1028 C THR A 70 -1.084 1.247 -7.186 1.00 0.26 C ATOM 1029 O THR A 70 0.089 1.646 -7.075 1.00 0.29 O ATOM 1030 CB THR A 70 -1.979 1.281 -9.554 1.00 0.37 C ATOM 1031 OG1 THR A 70 -0.789 1.687 -10.240 1.00 0.50 O ATOM 1032 CG2 THR A 70 -3.186 1.611 -10.399 1.00 0.39 C ATOM 0 H THR A 70 -0.789 3.561 -8.498 1.00 0.35 H new ATOM 0 HA THR A 70 -3.073 1.841 -7.791 1.00 0.29 H new ATOM 0 HB THR A 70 -1.961 0.203 -9.396 1.00 0.37 H new ATOM 0 HG1 THR A 70 -0.629 2.641 -10.082 1.00 0.50 H new ATOM 0 HG21 THR A 70 -3.094 1.124 -11.370 1.00 0.39 H new ATOM 0 HG22 THR A 70 -4.088 1.257 -9.899 1.00 0.39 H new ATOM 0 HG23 THR A 70 -3.248 2.690 -10.539 1.00 0.39 H new ATOM 1040 N PRO A 71 -1.555 0.204 -6.461 1.00 0.27 N ATOM 1041 CA PRO A 71 -0.746 -0.529 -5.475 1.00 0.31 C ATOM 1042 C PRO A 71 0.540 -1.100 -6.066 1.00 0.32 C ATOM 1043 O PRO A 71 1.551 -1.185 -5.372 1.00 0.37 O ATOM 1044 CB PRO A 71 -1.669 -1.661 -5.018 1.00 0.34 C ATOM 1045 CG PRO A 71 -3.034 -1.157 -5.289 1.00 0.34 C ATOM 1046 CD PRO A 71 -2.922 -0.329 -6.528 1.00 0.30 C ATOM 0 HA PRO A 71 -0.416 0.125 -4.668 1.00 0.31 H new ATOM 0 HB2 PRO A 71 -1.470 -2.582 -5.566 1.00 0.34 H new ATOM 0 HB3 PRO A 71 -1.531 -1.884 -3.960 1.00 0.34 H new ATOM 0 HG2 PRO A 71 -3.734 -1.980 -5.431 1.00 0.34 H new ATOM 0 HG3 PRO A 71 -3.405 -0.563 -4.454 1.00 0.34 H new ATOM 0 HD2 PRO A 71 -3.076 -0.927 -7.426 1.00 0.30 H new ATOM 0 HD3 PRO A 71 -3.664 0.469 -6.546 1.00 0.30 H new ATOM 1054 N ARG A 72 0.488 -1.483 -7.346 1.00 0.32 N ATOM 1055 CA ARG A 72 1.644 -2.032 -8.066 1.00 0.38 C ATOM 1056 C ARG A 72 2.888 -1.119 -7.946 1.00 0.35 C ATOM 1057 O ARG A 72 3.987 -1.583 -7.659 1.00 0.36 O ATOM 1058 CB ARG A 72 1.294 -2.301 -9.552 1.00 0.45 C ATOM 1059 CG ARG A 72 0.832 -1.069 -10.328 1.00 0.88 C ATOM 1060 CD ARG A 72 0.553 -1.359 -11.798 1.00 0.81 C ATOM 1061 NE ARG A 72 -0.487 -2.376 -11.984 1.00 0.86 N ATOM 1062 CZ ARG A 72 -1.649 -2.217 -12.639 1.00 1.05 C ATOM 1063 NH1 ARG A 72 -2.029 -1.020 -13.116 1.00 1.48 N ATOM 1064 NH2 ARG A 72 -2.431 -3.269 -12.804 1.00 1.55 N ATOM 0 H ARG A 72 -0.357 -1.421 -7.913 1.00 0.32 H new ATOM 0 HA ARG A 72 1.896 -2.983 -7.596 1.00 0.38 H new ATOM 0 HB2 ARG A 72 2.170 -2.720 -10.048 1.00 0.45 H new ATOM 0 HB3 ARG A 72 0.510 -3.057 -9.596 1.00 0.45 H new ATOM 0 HG2 ARG A 72 -0.071 -0.672 -9.864 1.00 0.88 H new ATOM 0 HG3 ARG A 72 1.595 -0.294 -10.255 1.00 0.88 H new ATOM 0 HD2 ARG A 72 0.248 -0.438 -12.295 1.00 0.81 H new ATOM 0 HD3 ARG A 72 1.472 -1.692 -12.280 1.00 0.81 H new ATOM 0 HE ARG A 72 -0.311 -3.294 -11.576 1.00 0.86 H new ATOM 0 HH11 ARG A 72 -1.430 -0.205 -12.984 1.00 1.48 H new ATOM 0 HH12 ARG A 72 -2.916 -0.926 -13.610 1.00 1.48 H new ATOM 0 HH21 ARG A 72 -2.148 -4.178 -12.437 1.00 1.55 H new ATOM 0 HH22 ARG A 72 -3.318 -3.173 -13.298 1.00 1.55 H new ATOM 1078 N GLU A 73 2.667 0.182 -8.103 1.00 0.34 N ATOM 1079 CA GLU A 73 3.722 1.187 -8.073 1.00 0.36 C ATOM 1080 C GLU A 73 4.328 1.287 -6.676 1.00 0.32 C ATOM 1081 O GLU A 73 5.558 1.388 -6.511 1.00 0.35 O ATOM 1082 CB GLU A 73 3.132 2.524 -8.490 1.00 0.42 C ATOM 1083 CG GLU A 73 2.458 2.479 -9.843 1.00 0.60 C ATOM 1084 CD GLU A 73 1.652 3.712 -10.141 1.00 1.37 C ATOM 1085 OE1 GLU A 73 0.568 3.870 -9.538 1.00 2.18 O ATOM 1086 OE2 GLU A 73 2.032 4.498 -11.030 1.00 1.78 O ATOM 0 H GLU A 73 1.737 0.573 -8.257 1.00 0.34 H new ATOM 0 HA GLU A 73 4.517 0.903 -8.763 1.00 0.36 H new ATOM 0 HB2 GLU A 73 2.408 2.844 -7.741 1.00 0.42 H new ATOM 0 HB3 GLU A 73 3.923 3.273 -8.510 1.00 0.42 H new ATOM 0 HG2 GLU A 73 3.216 2.352 -10.616 1.00 0.60 H new ATOM 0 HG3 GLU A 73 1.807 1.606 -9.889 1.00 0.60 H new ATOM 1093 N LEU A 74 3.456 1.226 -5.683 1.00 0.31 N ATOM 1094 CA LEU A 74 3.840 1.300 -4.283 1.00 0.32 C ATOM 1095 C LEU A 74 4.638 0.044 -3.919 1.00 0.30 C ATOM 1096 O LEU A 74 5.717 0.136 -3.324 1.00 0.31 O ATOM 1097 CB LEU A 74 2.553 1.476 -3.412 1.00 0.36 C ATOM 1098 CG LEU A 74 2.697 1.750 -1.887 1.00 0.39 C ATOM 1099 CD1 LEU A 74 3.142 0.520 -1.110 1.00 0.44 C ATOM 1100 CD2 LEU A 74 3.646 2.917 -1.635 1.00 0.44 C ATOM 0 H LEU A 74 2.452 1.123 -5.828 1.00 0.31 H new ATOM 0 HA LEU A 74 4.482 2.160 -4.092 1.00 0.32 H new ATOM 0 HB2 LEU A 74 1.978 2.297 -3.840 1.00 0.36 H new ATOM 0 HB3 LEU A 74 1.953 0.573 -3.527 1.00 0.36 H new ATOM 0 HG LEU A 74 1.705 2.015 -1.520 1.00 0.39 H new ATOM 0 HD11 LEU A 74 3.226 0.769 -0.052 1.00 0.44 H new ATOM 0 HD12 LEU A 74 2.409 -0.276 -1.238 1.00 0.44 H new ATOM 0 HD13 LEU A 74 4.110 0.185 -1.482 1.00 0.44 H new ATOM 0 HD21 LEU A 74 3.732 3.091 -0.562 1.00 0.44 H new ATOM 0 HD22 LEU A 74 4.629 2.682 -2.044 1.00 0.44 H new ATOM 0 HD23 LEU A 74 3.257 3.813 -2.118 1.00 0.44 H new ATOM 1112 N LEU A 75 4.113 -1.109 -4.329 1.00 0.29 N ATOM 1113 CA LEU A 75 4.753 -2.407 -4.121 1.00 0.30 C ATOM 1114 C LEU A 75 6.174 -2.373 -4.669 1.00 0.29 C ATOM 1115 O LEU A 75 7.149 -2.703 -3.963 1.00 0.30 O ATOM 1116 CB LEU A 75 3.948 -3.495 -4.857 1.00 0.33 C ATOM 1117 CG LEU A 75 4.514 -4.918 -4.815 1.00 0.37 C ATOM 1118 CD1 LEU A 75 4.512 -5.455 -3.409 1.00 0.41 C ATOM 1119 CD2 LEU A 75 3.739 -5.837 -5.735 1.00 0.45 C ATOM 0 H LEU A 75 3.221 -1.169 -4.821 1.00 0.29 H new ATOM 0 HA LEU A 75 4.783 -2.629 -3.054 1.00 0.30 H new ATOM 0 HB2 LEU A 75 2.942 -3.517 -4.437 1.00 0.33 H new ATOM 0 HB3 LEU A 75 3.851 -3.198 -5.901 1.00 0.33 H new ATOM 0 HG LEU A 75 5.546 -4.877 -5.164 1.00 0.37 H new ATOM 0 HD11 LEU A 75 4.918 -6.466 -3.405 1.00 0.41 H new ATOM 0 HD12 LEU A 75 5.125 -4.815 -2.774 1.00 0.41 H new ATOM 0 HD13 LEU A 75 3.491 -5.473 -3.028 1.00 0.41 H new ATOM 0 HD21 LEU A 75 4.161 -6.841 -5.686 1.00 0.45 H new ATOM 0 HD22 LEU A 75 2.695 -5.867 -5.424 1.00 0.45 H new ATOM 0 HD23 LEU A 75 3.802 -5.466 -6.758 1.00 0.45 H new ATOM 1131 N ASP A 76 6.274 -1.935 -5.913 1.00 0.31 N ATOM 1132 CA ASP A 76 7.537 -1.817 -6.618 1.00 0.34 C ATOM 1133 C ASP A 76 8.518 -0.908 -5.887 1.00 0.32 C ATOM 1134 O ASP A 76 9.688 -1.253 -5.753 1.00 0.34 O ATOM 1135 CB ASP A 76 7.318 -1.322 -8.046 1.00 0.45 C ATOM 1136 CG ASP A 76 8.611 -1.151 -8.803 1.00 0.78 C ATOM 1137 OD1 ASP A 76 9.228 -2.173 -9.195 1.00 0.90 O ATOM 1138 OD2 ASP A 76 9.037 -0.003 -9.017 1.00 1.25 O ATOM 0 H ASP A 76 5.468 -1.648 -6.468 1.00 0.31 H new ATOM 0 HA ASP A 76 7.977 -2.814 -6.654 1.00 0.34 H new ATOM 0 HB2 ASP A 76 6.680 -2.028 -8.578 1.00 0.45 H new ATOM 0 HB3 ASP A 76 6.788 -0.370 -8.020 1.00 0.45 H new ATOM 1143 N LEU A 77 8.026 0.225 -5.370 1.00 0.32 N ATOM 1144 CA LEU A 77 8.881 1.178 -4.660 1.00 0.36 C ATOM 1145 C LEU A 77 9.455 0.528 -3.408 1.00 0.34 C ATOM 1146 O LEU A 77 10.647 0.659 -3.122 1.00 0.40 O ATOM 1147 CB LEU A 77 8.086 2.481 -4.331 1.00 0.41 C ATOM 1148 CG LEU A 77 8.830 3.670 -3.639 1.00 0.53 C ATOM 1149 CD1 LEU A 77 9.106 3.433 -2.154 1.00 0.94 C ATOM 1150 CD2 LEU A 77 10.117 4.012 -4.373 1.00 1.35 C ATOM 0 H LEU A 77 7.046 0.501 -5.431 1.00 0.32 H new ATOM 0 HA LEU A 77 9.717 1.462 -5.299 1.00 0.36 H new ATOM 0 HB2 LEU A 77 7.666 2.855 -5.265 1.00 0.41 H new ATOM 0 HB3 LEU A 77 7.247 2.202 -3.693 1.00 0.41 H new ATOM 0 HG LEU A 77 8.151 4.521 -3.696 1.00 0.53 H new ATOM 0 HD11 LEU A 77 9.624 4.297 -1.738 1.00 0.94 H new ATOM 0 HD12 LEU A 77 8.163 3.287 -1.627 1.00 0.94 H new ATOM 0 HD13 LEU A 77 9.728 2.546 -2.037 1.00 0.94 H new ATOM 0 HD21 LEU A 77 10.613 4.842 -3.870 1.00 1.35 H new ATOM 0 HD22 LEU A 77 10.776 3.144 -4.376 1.00 1.35 H new ATOM 0 HD23 LEU A 77 9.886 4.296 -5.400 1.00 1.35 H new ATOM 1162 N ILE A 78 8.620 -0.212 -2.697 1.00 0.30 N ATOM 1163 CA ILE A 78 9.052 -0.869 -1.479 1.00 0.32 C ATOM 1164 C ILE A 78 10.090 -1.924 -1.810 1.00 0.33 C ATOM 1165 O ILE A 78 11.136 -1.982 -1.177 1.00 0.39 O ATOM 1166 CB ILE A 78 7.876 -1.534 -0.714 1.00 0.33 C ATOM 1167 CG1 ILE A 78 6.788 -0.503 -0.389 1.00 0.36 C ATOM 1168 CG2 ILE A 78 8.384 -2.186 0.574 1.00 0.38 C ATOM 1169 CD1 ILE A 78 7.264 0.652 0.463 1.00 0.42 C ATOM 0 H ILE A 78 7.643 -0.371 -2.943 1.00 0.30 H new ATOM 0 HA ILE A 78 9.476 -0.102 -0.832 1.00 0.32 H new ATOM 0 HB ILE A 78 7.443 -2.303 -1.353 1.00 0.33 H new ATOM 0 HG12 ILE A 78 6.385 -0.110 -1.322 1.00 0.36 H new ATOM 0 HG13 ILE A 78 5.969 -1.006 0.125 1.00 0.36 H new ATOM 0 HG21 ILE A 78 7.550 -2.649 1.101 1.00 0.38 H new ATOM 0 HG22 ILE A 78 9.125 -2.947 0.329 1.00 0.38 H new ATOM 0 HG23 ILE A 78 8.840 -1.428 1.211 1.00 0.38 H new ATOM 0 HD11 ILE A 78 6.434 1.335 0.647 1.00 0.42 H new ATOM 0 HD12 ILE A 78 7.639 0.273 1.414 1.00 0.42 H new ATOM 0 HD13 ILE A 78 8.062 1.182 -0.056 1.00 0.42 H new ATOM 1181 N ASN A 79 9.814 -2.738 -2.827 1.00 0.33 N ATOM 1182 CA ASN A 79 10.764 -3.791 -3.224 1.00 0.38 C ATOM 1183 C ASN A 79 12.072 -3.176 -3.675 1.00 0.38 C ATOM 1184 O ASN A 79 13.143 -3.690 -3.362 1.00 0.42 O ATOM 1185 CB ASN A 79 10.222 -4.731 -4.328 1.00 0.46 C ATOM 1186 CG ASN A 79 9.149 -5.723 -3.878 1.00 0.57 C ATOM 1187 OD1 ASN A 79 9.094 -6.844 -4.369 1.00 1.18 O ATOM 1188 ND2 ASN A 79 8.269 -5.322 -2.993 1.00 0.82 N ATOM 0 H ASN A 79 8.961 -2.697 -3.385 1.00 0.33 H new ATOM 0 HA ASN A 79 10.921 -4.405 -2.337 1.00 0.38 H new ATOM 0 HB2 ASN A 79 9.813 -4.120 -5.133 1.00 0.46 H new ATOM 0 HB3 ASN A 79 11.058 -5.291 -4.747 1.00 0.46 H new ATOM 0 HD21 ASN A 79 7.519 -5.948 -2.700 1.00 0.82 H new ATOM 0 HD22 ASN A 79 8.334 -4.384 -2.597 1.00 0.82 H new ATOM 1195 N GLY A 80 11.970 -2.052 -4.373 1.00 0.38 N ATOM 1196 CA GLY A 80 13.130 -1.328 -4.824 1.00 0.46 C ATOM 1197 C GLY A 80 13.982 -0.845 -3.669 1.00 0.50 C ATOM 1198 O GLY A 80 15.191 -1.081 -3.644 1.00 0.62 O ATOM 0 H GLY A 80 11.081 -1.626 -4.636 1.00 0.38 H new ATOM 0 HA2 GLY A 80 13.728 -1.969 -5.472 1.00 0.46 H new ATOM 0 HA3 GLY A 80 12.814 -0.474 -5.423 1.00 0.46 H new ATOM 1202 N ALA A 81 13.344 -0.251 -2.677 1.00 0.47 N ATOM 1203 CA ALA A 81 14.044 0.286 -1.517 1.00 0.57 C ATOM 1204 C ALA A 81 14.629 -0.838 -0.662 1.00 0.62 C ATOM 1205 O ALA A 81 15.694 -0.681 -0.051 1.00 0.80 O ATOM 1206 CB ALA A 81 13.103 1.148 -0.690 1.00 0.59 C ATOM 0 H ALA A 81 12.332 -0.126 -2.649 1.00 0.47 H new ATOM 0 HA ALA A 81 14.869 0.904 -1.871 1.00 0.57 H new ATOM 0 HB1 ALA A 81 13.637 1.544 0.174 1.00 0.59 H new ATOM 0 HB2 ALA A 81 12.736 1.974 -1.299 1.00 0.59 H new ATOM 0 HB3 ALA A 81 12.261 0.545 -0.351 1.00 0.59 H new ATOM 1212 N LEU A 82 13.944 -1.973 -0.636 1.00 0.54 N ATOM 1213 CA LEU A 82 14.416 -3.148 0.085 1.00 0.61 C ATOM 1214 C LEU A 82 15.620 -3.759 -0.621 1.00 0.74 C ATOM 1215 O LEU A 82 16.580 -4.197 0.029 1.00 0.89 O ATOM 1216 CB LEU A 82 13.296 -4.183 0.226 1.00 0.54 C ATOM 1217 CG LEU A 82 12.108 -3.764 1.092 1.00 0.58 C ATOM 1218 CD1 LEU A 82 11.003 -4.790 1.015 1.00 0.63 C ATOM 1219 CD2 LEU A 82 12.543 -3.578 2.528 1.00 0.68 C ATOM 0 H LEU A 82 13.051 -2.106 -1.111 1.00 0.54 H new ATOM 0 HA LEU A 82 14.722 -2.836 1.084 1.00 0.61 H new ATOM 0 HB2 LEU A 82 12.927 -4.429 -0.770 1.00 0.54 H new ATOM 0 HB3 LEU A 82 13.721 -5.096 0.643 1.00 0.54 H new ATOM 0 HG LEU A 82 11.728 -2.816 0.713 1.00 0.58 H new ATOM 0 HD11 LEU A 82 10.167 -4.472 1.639 1.00 0.63 H new ATOM 0 HD12 LEU A 82 10.669 -4.888 -0.018 1.00 0.63 H new ATOM 0 HD13 LEU A 82 11.374 -5.752 1.369 1.00 0.63 H new ATOM 0 HD21 LEU A 82 11.686 -3.280 3.132 1.00 0.68 H new ATOM 0 HD22 LEU A 82 12.948 -4.515 2.910 1.00 0.68 H new ATOM 0 HD23 LEU A 82 13.309 -2.805 2.579 1.00 0.68 H new ATOM 1231 N ALA A 83 15.566 -3.790 -1.942 1.00 0.83 N ATOM 1232 CA ALA A 83 16.661 -4.295 -2.756 1.00 1.07 C ATOM 1233 C ALA A 83 17.891 -3.411 -2.608 1.00 1.28 C ATOM 1234 O ALA A 83 19.004 -3.902 -2.474 1.00 1.46 O ATOM 1235 CB ALA A 83 16.246 -4.400 -4.214 1.00 1.27 C ATOM 0 H ALA A 83 14.763 -3.466 -2.481 1.00 0.83 H new ATOM 0 HA ALA A 83 16.914 -5.295 -2.404 1.00 1.07 H new ATOM 0 HB1 ALA A 83 17.081 -4.780 -4.803 1.00 1.27 H new ATOM 0 HB2 ALA A 83 15.399 -5.081 -4.303 1.00 1.27 H new ATOM 0 HB3 ALA A 83 15.960 -3.415 -4.583 1.00 1.27 H new ATOM 1241 N GLU A 84 17.673 -2.103 -2.584 1.00 1.34 N ATOM 1242 CA GLU A 84 18.764 -1.139 -2.444 1.00 1.64 C ATOM 1243 C GLU A 84 19.305 -1.101 -1.022 1.00 1.75 C ATOM 1244 O GLU A 84 20.351 -0.493 -0.761 1.00 2.12 O ATOM 1245 CB GLU A 84 18.322 0.253 -2.866 1.00 1.67 C ATOM 1246 CG GLU A 84 17.908 0.349 -4.314 1.00 1.99 C ATOM 1247 CD GLU A 84 17.510 1.739 -4.698 1.00 2.14 C ATOM 1248 OE1 GLU A 84 16.350 2.100 -4.534 1.00 2.82 O ATOM 1249 OE2 GLU A 84 18.375 2.496 -5.181 1.00 2.25 O ATOM 0 H GLU A 84 16.748 -1.681 -2.660 1.00 1.34 H new ATOM 0 HA GLU A 84 19.566 -1.470 -3.104 1.00 1.64 H new ATOM 0 HB2 GLU A 84 17.487 0.565 -2.238 1.00 1.67 H new ATOM 0 HB3 GLU A 84 19.137 0.953 -2.684 1.00 1.67 H new ATOM 0 HG2 GLU A 84 18.732 0.021 -4.948 1.00 1.99 H new ATOM 0 HG3 GLU A 84 17.075 -0.329 -4.497 1.00 1.99 H new ATOM 1256 N ALA A 85 18.593 -1.723 -0.107 1.00 1.60 N ATOM 1257 CA ALA A 85 19.024 -1.790 1.266 1.00 1.87 C ATOM 1258 C ALA A 85 20.104 -2.845 1.403 1.00 2.41 C ATOM 1259 O ALA A 85 21.269 -2.530 1.705 1.00 2.97 O ATOM 1260 CB ALA A 85 17.850 -2.089 2.193 1.00 2.27 C ATOM 0 H ALA A 85 17.707 -2.192 -0.295 1.00 1.60 H new ATOM 0 HA ALA A 85 19.432 -0.822 1.558 1.00 1.87 H new ATOM 0 HB1 ALA A 85 18.202 -2.134 3.223 1.00 2.27 H new ATOM 0 HB2 ALA A 85 17.103 -1.301 2.099 1.00 2.27 H new ATOM 0 HB3 ALA A 85 17.405 -3.046 1.919 1.00 2.27 H new ATOM 1266 N ALA A 86 19.738 -4.070 1.131 1.00 2.92 N ATOM 1267 CA ALA A 86 20.623 -5.200 1.218 1.00 3.83 C ATOM 1268 C ALA A 86 20.010 -6.331 0.445 1.00 4.59 C ATOM 1269 O ALA A 86 20.451 -6.616 -0.667 1.00 5.16 O ATOM 1270 CB ALA A 86 20.846 -5.608 2.672 1.00 4.34 C ATOM 1271 OXT ALA A 86 19.016 -6.895 0.916 1.00 4.98 O ATOM 0 H ALA A 86 18.793 -4.315 0.836 1.00 2.92 H new ATOM 0 HA ALA A 86 21.596 -4.940 0.800 1.00 3.83 H new ATOM 0 HB1 ALA A 86 21.519 -6.465 2.710 1.00 4.34 H new ATOM 0 HB2 ALA A 86 21.287 -4.775 3.220 1.00 4.34 H new ATOM 0 HB3 ALA A 86 19.892 -5.876 3.125 1.00 4.34 H new TER 1277 ALA A 86 HETATM 1278 P24 SXH A 87 -6.464 13.226 1.897 1.00 1.09 P HETATM 1279 O26 SXH A 87 -6.982 13.915 0.596 1.00 1.22 O HETATM 1280 O23 SXH A 87 -7.361 13.275 3.181 1.00 1.42 O HETATM 1281 O27 SXH A 87 -5.065 13.798 2.223 1.00 1.10 O HETATM 1282 C28 SXH A 87 -4.351 13.344 3.427 1.00 1.13 C HETATM 1283 C29 SXH A 87 -2.905 13.883 3.450 1.00 1.27 C HETATM 1284 C30 SXH A 87 -2.253 13.276 4.671 1.00 1.36 C HETATM 1285 C31 SXH A 87 -2.171 13.417 2.192 1.00 1.28 C HETATM 1286 C32 SXH A 87 -2.881 15.486 3.533 1.00 1.57 C HETATM 1287 O33 SXH A 87 -3.580 16.046 2.420 1.00 1.62 O HETATM 1288 C34 SXH A 87 -1.456 16.044 3.473 1.00 1.82 C HETATM 1289 O35 SXH A 87 -0.950 16.337 2.387 1.00 2.00 O HETATM 1290 N36 SXH A 87 -0.851 16.229 4.616 1.00 1.99 N HETATM 1291 C37 SXH A 87 0.498 16.778 4.775 1.00 2.29 C HETATM 1292 C38 SXH A 87 0.934 16.834 6.251 1.00 2.49 C HETATM 1293 C39 SXH A 87 1.049 15.473 6.950 1.00 2.41 C HETATM 1294 O40 SXH A 87 1.219 15.379 8.177 1.00 2.91 O HETATM 1295 N41 SXH A 87 0.945 14.449 6.158 1.00 2.12 N HETATM 1296 C42 SXH A 87 1.006 13.063 6.546 1.00 2.36 C HETATM 1297 C43 SXH A 87 1.654 12.251 5.466 1.00 2.13 C HETATM 1298 S1 SXH A 87 0.928 12.610 3.946 1.00 1.95 S HETATM 1299 C1 SXH A 87 1.995 11.682 2.937 1.00 1.93 C HETATM 1300 O1 SXH A 87 2.983 11.072 3.348 1.00 2.69 O HETATM 1301 C2 SXH A 87 1.625 11.682 1.472 1.00 1.85 C HETATM 1302 C3 SXH A 87 0.282 11.035 1.221 1.00 2.13 C HETATM 1303 C4 SXH A 87 -0.105 11.119 -0.236 1.00 2.00 C HETATM 1304 C5 SXH A 87 -1.471 10.512 -0.470 1.00 2.32 C HETATM 1305 C6 SXH A 87 -1.831 10.629 -1.926 1.00 2.32 C HETATM 0 HO33 SXH A 87 -4.258 15.412 2.107 1.00 1.62 H new HETATM 0 HN41 SXH A 87 0.807 14.645 5.167 1.00 2.12 H new HETATM 0 HN36 SXH A 87 -1.357 15.971 5.463 1.00 1.99 H new HETATM 0 H43A SXH A 87 2.722 12.466 5.428 1.00 2.13 H new HETATM 0 H42A SXH A 87 1.569 12.962 7.474 1.00 2.36 H new HETATM 0 H38A SXH A 87 1.899 17.337 6.309 1.00 2.49 H new HETATM 0 H37A SXH A 87 1.205 16.168 4.212 1.00 2.29 H new HETATM 0 H31B SXH A 87 -2.153 12.328 2.164 1.00 1.28 H new HETATM 0 H31A SXH A 87 -2.687 13.795 1.309 1.00 1.28 H new HETATM 0 H30B SXH A 87 -2.800 13.579 5.564 1.00 1.36 H new HETATM 0 H30A SXH A 87 -2.266 12.189 4.588 1.00 1.36 H new HETATM 0 H28A SXH A 87 -4.882 13.680 4.317 1.00 1.13 H new HETATM 0 H6B SXH A 87 -1.847 11.680 -2.213 1.00 2.32 H new HETATM 0 H6A SXH A 87 -1.092 10.100 -2.527 1.00 2.32 H new HETATM 0 H6 SXH A 87 -2.815 10.191 -2.094 1.00 2.32 H new HETATM 0 H5A SXH A 87 -1.472 9.465 -0.168 1.00 2.32 H new HETATM 0 H5 SXH A 87 -2.216 11.021 0.142 1.00 2.32 H new HETATM 0 H4A SXH A 87 -0.106 12.161 -0.556 1.00 2.00 H new HETATM 0 H43 SXH A 87 1.550 11.189 5.686 1.00 2.13 H new HETATM 0 H42 SXH A 87 0.001 12.688 6.740 1.00 2.36 H new HETATM 0 H4 SXH A 87 0.636 10.600 -0.843 1.00 2.00 H new HETATM 0 H3A SXH A 87 0.316 9.990 1.531 1.00 2.13 H new HETATM 0 H38 SXH A 87 0.221 17.448 6.801 1.00 2.49 H new HETATM 0 H37 SXH A 87 0.533 17.781 4.350 1.00 2.29 H new HETATM 0 H32 SXH A 87 -3.346 15.750 4.483 1.00 1.57 H new HETATM 0 H31 SXH A 87 -1.149 13.796 2.205 1.00 1.28 H new HETATM 0 H30 SXH A 87 -1.222 13.622 4.743 1.00 1.36 H new HETATM 0 H3 SXH A 87 -0.479 11.523 1.830 1.00 2.13 H new HETATM 0 H2A SXH A 87 1.606 12.708 1.104 1.00 1.85 H new HETATM 0 H28 SXH A 87 -4.337 12.254 3.457 1.00 1.13 H new HETATM 0 H2 SXH A 87 2.392 11.154 0.906 1.00 1.85 H new