USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 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 78:sc= 0.696 USER MOD Set 1.2: A 48 THR OG1 : rot -39:sc= 0.282 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00779 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00268 USER MOD Single : A 40 TYR OH : rot 80:sc= -0.119 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 149:sc= -0.386 (180deg=-1.58!) USER MOD Single : A 54 SER OG : rot 85:sc= 1.22 USER MOD Single : A 56 TYR OH : rot -162:sc= 1.19 USER MOD Single : A 59 SER OG : rot 24:sc= 0.0896 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.355 USER MOD Single : A 79 ASN : amide:sc= -1.98 K(o=-2,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -11.399 -8.379 0.810 1.00 0.86 N ATOM 45 CA LEU A 4 -10.268 -7.863 1.570 1.00 0.72 C ATOM 46 C LEU A 4 -8.953 -8.581 1.225 1.00 0.67 C ATOM 47 O LEU A 4 -8.906 -9.808 1.149 1.00 0.83 O ATOM 48 CB LEU A 4 -10.531 -7.950 3.103 1.00 0.71 C ATOM 49 CG LEU A 4 -11.463 -6.888 3.745 1.00 0.87 C ATOM 50 CD1 LEU A 4 -12.850 -6.843 3.102 1.00 0.80 C ATOM 51 CD2 LEU A 4 -11.594 -7.144 5.245 1.00 1.75 C ATOM 0 HA LEU A 4 -10.161 -6.816 1.286 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -10.951 -8.934 3.314 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -9.568 -7.899 3.610 1.00 0.71 H new ATOM 0 HG LEU A 4 -11.000 -5.917 3.570 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -13.455 -6.081 3.594 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.753 -6.601 2.044 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -13.332 -7.815 3.209 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -12.250 -6.394 5.686 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -12.015 -8.136 5.409 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -10.611 -7.086 5.711 1.00 1.75 H new ATOM 63 N LEU A 5 -7.909 -7.796 1.020 1.00 0.55 N ATOM 64 CA LEU A 5 -6.579 -8.329 0.751 1.00 0.51 C ATOM 65 C LEU A 5 -5.895 -8.571 2.082 1.00 0.46 C ATOM 66 O LEU A 5 -6.224 -7.915 3.082 1.00 0.50 O ATOM 67 CB LEU A 5 -5.709 -7.366 -0.118 1.00 0.53 C ATOM 68 CG LEU A 5 -5.047 -6.134 0.558 1.00 0.62 C ATOM 69 CD1 LEU A 5 -4.104 -5.451 -0.414 1.00 0.66 C ATOM 70 CD2 LEU A 5 -6.056 -5.135 1.044 1.00 0.95 C ATOM 0 H LEU A 5 -7.956 -6.777 1.035 1.00 0.55 H new ATOM 0 HA LEU A 5 -6.687 -9.253 0.183 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.915 -7.959 -0.572 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -6.336 -6.998 -0.930 1.00 0.53 H new ATOM 0 HG LEU A 5 -4.498 -6.506 1.424 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -3.645 -4.589 0.069 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -3.327 -6.151 -0.720 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.661 -5.121 -1.291 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -5.541 -4.294 1.508 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.649 -4.778 0.202 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -6.712 -5.607 1.775 1.00 0.95 H new ATOM 82 N THR A 6 -4.966 -9.481 2.109 1.00 0.47 N ATOM 83 CA THR A 6 -4.266 -9.777 3.317 1.00 0.49 C ATOM 84 C THR A 6 -2.937 -9.011 3.397 1.00 0.40 C ATOM 85 O THR A 6 -2.580 -8.243 2.478 1.00 0.38 O ATOM 86 CB THR A 6 -4.043 -11.293 3.462 1.00 0.70 C ATOM 87 OG1 THR A 6 -3.448 -11.796 2.249 1.00 0.82 O ATOM 88 CG2 THR A 6 -5.370 -12.004 3.730 1.00 0.93 C ATOM 0 H THR A 6 -4.677 -10.032 1.301 1.00 0.47 H new ATOM 0 HA THR A 6 -4.885 -9.445 4.151 1.00 0.49 H new ATOM 0 HB THR A 6 -3.378 -11.483 4.305 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.301 -12.761 2.333 1.00 0.82 H new ATOM 0 HG21 THR A 6 -5.195 -13.075 3.830 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.809 -11.620 4.651 1.00 0.93 H new ATOM 0 HG23 THR A 6 -6.053 -11.824 2.900 1.00 0.93 H new ATOM 96 N THR A 7 -2.197 -9.246 4.451 1.00 0.44 N ATOM 97 CA THR A 7 -0.938 -8.592 4.674 1.00 0.42 C ATOM 98 C THR A 7 0.124 -9.101 3.680 1.00 0.37 C ATOM 99 O THR A 7 1.051 -8.385 3.296 1.00 0.39 O ATOM 100 CB THR A 7 -0.498 -8.866 6.117 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.657 -8.713 6.981 1.00 0.58 O ATOM 102 CG2 THR A 7 0.590 -7.884 6.545 1.00 0.54 C ATOM 0 H THR A 7 -2.457 -9.905 5.185 1.00 0.44 H new ATOM 0 HA THR A 7 -1.049 -7.519 4.517 1.00 0.42 H new ATOM 0 HB THR A 7 -0.093 -9.875 6.189 1.00 0.50 H new ATOM 0 HG1 THR A 7 -1.398 -8.886 7.910 1.00 0.58 H new ATOM 0 HG21 THR A 7 0.888 -8.096 7.572 1.00 0.54 H new ATOM 0 HG22 THR A 7 1.453 -7.988 5.888 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.207 -6.866 6.481 1.00 0.54 H new ATOM 110 N ASP A 8 -0.057 -10.326 3.239 1.00 0.41 N ATOM 111 CA ASP A 8 0.863 -10.958 2.303 1.00 0.46 C ATOM 112 C ASP A 8 0.605 -10.455 0.905 1.00 0.42 C ATOM 113 O ASP A 8 1.530 -10.307 0.101 1.00 0.47 O ATOM 114 CB ASP A 8 0.716 -12.476 2.339 1.00 0.62 C ATOM 115 CG ASP A 8 0.981 -13.056 3.704 1.00 1.41 C ATOM 116 OD1 ASP A 8 0.071 -13.068 4.528 1.00 2.01 O ATOM 117 OD2 ASP A 8 2.108 -13.498 3.962 1.00 1.98 O ATOM 0 H ASP A 8 -0.842 -10.916 3.515 1.00 0.41 H new ATOM 0 HA ASP A 8 1.880 -10.700 2.598 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.292 -12.746 2.024 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.405 -12.920 1.620 1.00 0.62 H new ATOM 122 N ASP A 9 -0.654 -10.139 0.634 1.00 0.41 N ATOM 123 CA ASP A 9 -1.054 -9.618 -0.669 1.00 0.46 C ATOM 124 C ASP A 9 -0.535 -8.192 -0.783 1.00 0.40 C ATOM 125 O ASP A 9 0.062 -7.813 -1.786 1.00 0.46 O ATOM 126 CB ASP A 9 -2.579 -9.691 -0.828 1.00 0.54 C ATOM 127 CG ASP A 9 -3.058 -9.410 -2.251 1.00 0.98 C ATOM 128 OD1 ASP A 9 -3.054 -10.331 -3.102 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.401 -8.225 -2.542 1.00 1.83 O ATOM 0 H ASP A 9 -1.420 -10.234 1.301 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.628 -10.218 -1.473 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.921 -10.681 -0.527 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -3.042 -8.974 -0.149 1.00 0.54 H new ATOM 134 N LEU A 10 -0.682 -7.438 0.324 1.00 0.36 N ATOM 135 CA LEU A 10 -0.148 -6.072 0.441 1.00 0.35 C ATOM 136 C LEU A 10 1.374 -6.077 0.225 1.00 0.33 C ATOM 137 O LEU A 10 1.923 -5.210 -0.458 1.00 0.36 O ATOM 138 CB LEU A 10 -0.446 -5.492 1.838 1.00 0.37 C ATOM 139 CG LEU A 10 -0.005 -4.033 2.092 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.810 -3.066 1.247 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.105 -3.677 3.570 1.00 0.48 C ATOM 0 H LEU A 10 -1.173 -7.760 1.158 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.629 -5.456 -0.319 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.520 -5.558 2.012 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.037 -6.128 2.580 1.00 0.37 H new ATOM 0 HG LEU A 10 1.041 -3.947 1.798 1.00 0.41 H new ATOM 0 HD11 LEU A 10 -0.479 -2.047 1.446 1.00 0.51 H new ATOM 0 HD12 LEU A 10 -0.663 -3.296 0.192 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.867 -3.159 1.495 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.212 -2.645 3.718 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.137 -3.791 3.903 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.538 -4.340 4.148 1.00 0.48 H new ATOM 153 N ARG A 11 2.035 -7.101 0.780 1.00 0.33 N ATOM 154 CA ARG A 11 3.493 -7.257 0.673 1.00 0.37 C ATOM 155 C ARG A 11 3.915 -7.329 -0.804 1.00 0.39 C ATOM 156 O ARG A 11 4.863 -6.680 -1.211 1.00 0.45 O ATOM 157 CB ARG A 11 3.943 -8.525 1.429 1.00 0.45 C ATOM 158 CG ARG A 11 5.458 -8.692 1.571 1.00 0.72 C ATOM 159 CD ARG A 11 5.813 -10.006 2.268 1.00 0.63 C ATOM 160 NE ARG A 11 5.172 -10.141 3.598 1.00 1.12 N ATOM 161 CZ ARG A 11 4.401 -11.190 3.964 1.00 1.36 C ATOM 162 NH1 ARG A 11 4.323 -12.259 3.190 1.00 1.47 N ATOM 163 NH2 ARG A 11 3.774 -11.198 5.139 1.00 2.27 N ATOM 0 H ARG A 11 1.578 -7.841 1.313 1.00 0.33 H new ATOM 0 HA ARG A 11 3.977 -6.391 1.125 1.00 0.37 H new ATOM 0 HB2 ARG A 11 3.499 -8.512 2.425 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.543 -9.398 0.913 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.922 -8.665 0.585 1.00 0.72 H new ATOM 0 HG3 ARG A 11 5.866 -7.856 2.139 1.00 0.72 H new ATOM 0 HD2 ARG A 11 5.509 -10.841 1.637 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.895 -10.071 2.383 1.00 0.63 H new ATOM 0 HE ARG A 11 5.322 -9.397 4.279 1.00 1.12 H new ATOM 0 HH11 ARG A 11 4.845 -12.294 2.314 1.00 1.47 H new ATOM 0 HH12 ARG A 11 3.741 -13.049 3.468 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.872 -10.407 5.775 1.00 2.27 H new ATOM 0 HH22 ARG A 11 3.195 -11.995 5.403 1.00 2.27 H new ATOM 177 N ARG A 12 3.168 -8.092 -1.596 1.00 0.40 N ATOM 178 CA ARG A 12 3.460 -8.240 -3.022 1.00 0.48 C ATOM 179 C ARG A 12 3.239 -6.951 -3.801 1.00 0.47 C ATOM 180 O ARG A 12 4.013 -6.628 -4.707 1.00 0.50 O ATOM 181 CB ARG A 12 2.691 -9.388 -3.662 1.00 0.56 C ATOM 182 CG ARG A 12 3.219 -10.765 -3.298 1.00 0.94 C ATOM 183 CD ARG A 12 2.538 -11.854 -4.109 1.00 1.18 C ATOM 184 NE ARG A 12 3.084 -13.196 -3.792 1.00 1.76 N ATOM 185 CZ ARG A 12 2.764 -14.339 -4.444 1.00 2.29 C ATOM 186 NH1 ARG A 12 2.110 -14.284 -5.590 1.00 2.31 N ATOM 187 NH2 ARG A 12 3.206 -15.516 -3.991 1.00 3.30 N ATOM 0 H ARG A 12 2.355 -8.619 -1.276 1.00 0.40 H new ATOM 0 HA ARG A 12 4.521 -8.482 -3.075 1.00 0.48 H new ATOM 0 HB2 ARG A 12 1.645 -9.321 -3.364 1.00 0.56 H new ATOM 0 HB3 ARG A 12 2.722 -9.273 -4.745 1.00 0.56 H new ATOM 0 HG2 ARG A 12 4.295 -10.801 -3.470 1.00 0.94 H new ATOM 0 HG3 ARG A 12 3.060 -10.948 -2.235 1.00 0.94 H new ATOM 0 HD2 ARG A 12 1.467 -11.840 -3.909 1.00 1.18 H new ATOM 0 HD3 ARG A 12 2.667 -11.650 -5.172 1.00 1.18 H new ATOM 0 HE ARG A 12 3.752 -13.263 -3.024 1.00 1.76 H new ATOM 0 HH11 ARG A 12 1.846 -13.381 -5.984 1.00 2.31 H new ATOM 0 HH12 ARG A 12 1.869 -15.145 -6.081 1.00 2.31 H new ATOM 0 HH21 ARG A 12 3.786 -15.555 -3.153 1.00 3.30 H new ATOM 0 HH22 ARG A 12 2.964 -16.376 -4.484 1.00 3.30 H new ATOM 201 N ALA A 13 2.199 -6.213 -3.427 1.00 0.47 N ATOM 202 CA ALA A 13 1.902 -4.909 -4.042 1.00 0.53 C ATOM 203 C ALA A 13 3.115 -3.972 -3.919 1.00 0.46 C ATOM 204 O ALA A 13 3.474 -3.269 -4.872 1.00 0.48 O ATOM 205 CB ALA A 13 0.676 -4.282 -3.407 1.00 0.63 C ATOM 0 H ALA A 13 1.541 -6.491 -2.699 1.00 0.47 H new ATOM 0 HA ALA A 13 1.692 -5.067 -5.100 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.475 -3.319 -3.877 1.00 0.63 H new ATOM 0 HB2 ALA A 13 -0.182 -4.940 -3.546 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.853 -4.136 -2.341 1.00 0.63 H new ATOM 211 N LEU A 14 3.733 -3.969 -2.739 1.00 0.42 N ATOM 212 CA LEU A 14 4.965 -3.227 -2.524 1.00 0.39 C ATOM 213 C LEU A 14 6.057 -3.787 -3.411 1.00 0.40 C ATOM 214 O LEU A 14 6.618 -3.069 -4.217 1.00 0.46 O ATOM 215 CB LEU A 14 5.409 -3.241 -1.033 1.00 0.45 C ATOM 216 CG LEU A 14 4.757 -2.215 -0.047 1.00 0.54 C ATOM 217 CD1 LEU A 14 5.099 -0.780 -0.421 1.00 0.44 C ATOM 218 CD2 LEU A 14 3.254 -2.386 0.042 1.00 1.00 C ATOM 0 H LEU A 14 3.397 -4.474 -1.919 1.00 0.42 H new ATOM 0 HA LEU A 14 4.778 -2.186 -2.787 1.00 0.39 H new ATOM 0 HB2 LEU A 14 5.222 -4.241 -0.641 1.00 0.45 H new ATOM 0 HB3 LEU A 14 6.487 -3.085 -1.007 1.00 0.45 H new ATOM 0 HG LEU A 14 5.179 -2.425 0.936 1.00 0.54 H new ATOM 0 HD11 LEU A 14 4.628 -0.098 0.287 1.00 0.44 H new ATOM 0 HD12 LEU A 14 6.180 -0.644 -0.392 1.00 0.44 H new ATOM 0 HD13 LEU A 14 4.734 -0.569 -1.426 1.00 0.44 H new ATOM 0 HD21 LEU A 14 2.845 -1.653 0.737 1.00 1.00 H new ATOM 0 HD22 LEU A 14 2.812 -2.238 -0.943 1.00 1.00 H new ATOM 0 HD23 LEU A 14 3.022 -3.391 0.396 1.00 1.00 H new ATOM 230 N VAL A 15 6.281 -5.106 -3.323 1.00 0.44 N ATOM 231 CA VAL A 15 7.352 -5.771 -4.080 1.00 0.53 C ATOM 232 C VAL A 15 7.318 -5.467 -5.602 1.00 0.55 C ATOM 233 O VAL A 15 8.366 -5.274 -6.208 1.00 0.64 O ATOM 234 CB VAL A 15 7.440 -7.310 -3.796 1.00 0.61 C ATOM 235 CG1 VAL A 15 8.561 -7.953 -4.620 1.00 0.74 C ATOM 236 CG2 VAL A 15 7.696 -7.558 -2.307 1.00 0.64 C ATOM 0 H VAL A 15 5.734 -5.734 -2.734 1.00 0.44 H new ATOM 0 HA VAL A 15 8.273 -5.328 -3.702 1.00 0.53 H new ATOM 0 HB VAL A 15 6.490 -7.761 -4.082 1.00 0.61 H new ATOM 0 HG11 VAL A 15 8.603 -9.021 -4.406 1.00 0.74 H new ATOM 0 HG12 VAL A 15 8.364 -7.803 -5.682 1.00 0.74 H new ATOM 0 HG13 VAL A 15 9.514 -7.493 -4.359 1.00 0.74 H new ATOM 0 HG21 VAL A 15 7.755 -8.630 -2.122 1.00 0.64 H new ATOM 0 HG22 VAL A 15 8.635 -7.087 -2.016 1.00 0.64 H new ATOM 0 HG23 VAL A 15 6.880 -7.133 -1.722 1.00 0.64 H new ATOM 246 N GLU A 16 6.121 -5.353 -6.200 1.00 0.59 N ATOM 247 CA GLU A 16 6.032 -4.991 -7.630 1.00 0.69 C ATOM 248 C GLU A 16 6.596 -3.595 -7.897 1.00 0.65 C ATOM 249 O GLU A 16 7.209 -3.342 -8.920 1.00 0.77 O ATOM 250 CB GLU A 16 4.607 -5.073 -8.196 1.00 0.89 C ATOM 251 CG GLU A 16 4.055 -6.479 -8.367 1.00 1.11 C ATOM 252 CD GLU A 16 2.921 -6.515 -9.373 1.00 1.54 C ATOM 253 OE1 GLU A 16 3.164 -6.708 -10.571 1.00 1.95 O ATOM 254 OE2 GLU A 16 1.745 -6.372 -8.958 1.00 2.18 O ATOM 0 H GLU A 16 5.225 -5.500 -5.736 1.00 0.59 H new ATOM 0 HA GLU A 16 6.638 -5.737 -8.145 1.00 0.69 H new ATOM 0 HB2 GLU A 16 3.940 -4.516 -7.538 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.589 -4.573 -9.165 1.00 0.89 H new ATOM 0 HG2 GLU A 16 4.853 -7.146 -8.693 1.00 1.11 H new ATOM 0 HG3 GLU A 16 3.701 -6.851 -7.405 1.00 1.11 H new ATOM 261 N SER A 17 6.443 -2.719 -6.930 1.00 0.59 N ATOM 262 CA SER A 17 6.876 -1.344 -7.060 1.00 0.64 C ATOM 263 C SER A 17 8.389 -1.235 -6.756 1.00 0.74 C ATOM 264 O SER A 17 8.977 -0.165 -6.849 1.00 1.04 O ATOM 265 CB SER A 17 6.076 -0.469 -6.086 1.00 0.68 C ATOM 266 OG SER A 17 4.658 -0.711 -6.197 1.00 1.27 O ATOM 0 H SER A 17 6.015 -2.939 -6.031 1.00 0.59 H new ATOM 0 HA SER A 17 6.702 -1.002 -8.080 1.00 0.64 H new ATOM 0 HB2 SER A 17 6.401 -0.669 -5.065 1.00 0.68 H new ATOM 0 HB3 SER A 17 6.283 0.582 -6.286 1.00 0.68 H new ATOM 0 HG SER A 17 4.432 -1.546 -5.737 1.00 1.27 H new ATOM 272 N ALA A 18 8.994 -2.358 -6.389 1.00 0.70 N ATOM 273 CA ALA A 18 10.407 -2.405 -6.048 1.00 0.87 C ATOM 274 C ALA A 18 11.166 -3.346 -6.989 1.00 1.05 C ATOM 275 O ALA A 18 12.324 -3.657 -6.758 1.00 1.57 O ATOM 276 CB ALA A 18 10.569 -2.854 -4.597 1.00 0.95 C ATOM 0 H ALA A 18 8.519 -3.258 -6.320 1.00 0.70 H new ATOM 0 HA ALA A 18 10.829 -1.407 -6.163 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.628 -2.889 -4.343 1.00 0.95 H new ATOM 0 HB2 ALA A 18 10.061 -2.149 -3.939 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.133 -3.845 -4.472 1.00 0.95 H new ATOM 400 N ASP A 29 7.106 -8.988 8.196 1.00 0.90 N ATOM 401 CA ASP A 29 6.461 -7.767 8.694 1.00 0.83 C ATOM 402 C ASP A 29 7.112 -6.542 8.049 1.00 0.79 C ATOM 403 O ASP A 29 8.232 -6.617 7.551 1.00 1.33 O ATOM 404 CB ASP A 29 6.588 -7.672 10.239 1.00 1.20 C ATOM 405 CG ASP A 29 5.587 -6.708 10.915 1.00 1.95 C ATOM 406 OD1 ASP A 29 5.593 -5.506 10.564 1.00 2.68 O ATOM 407 OD2 ASP A 29 4.788 -7.135 11.798 1.00 2.44 O ATOM 0 HA ASP A 29 5.403 -7.801 8.433 1.00 0.83 H new ATOM 0 HB2 ASP A 29 6.454 -8.668 10.662 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.601 -7.354 10.487 1.00 1.20 H new ATOM 412 N PHE A 30 6.391 -5.440 8.064 1.00 0.42 N ATOM 413 CA PHE A 30 6.792 -4.166 7.509 1.00 0.36 C ATOM 414 C PHE A 30 5.704 -3.138 7.813 1.00 0.32 C ATOM 415 O PHE A 30 5.687 -2.048 7.255 1.00 0.35 O ATOM 416 CB PHE A 30 7.007 -4.247 5.983 1.00 0.37 C ATOM 417 CG PHE A 30 5.765 -4.584 5.178 1.00 0.35 C ATOM 418 CD1 PHE A 30 5.282 -5.880 5.141 1.00 0.40 C ATOM 419 CD2 PHE A 30 5.096 -3.604 4.452 1.00 0.38 C ATOM 420 CE1 PHE A 30 4.163 -6.200 4.405 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.974 -3.919 3.712 1.00 0.42 C ATOM 422 CZ PHE A 30 3.504 -5.220 3.688 1.00 0.46 C ATOM 0 H PHE A 30 5.463 -5.408 8.485 1.00 0.42 H new ATOM 0 HA PHE A 30 7.740 -3.876 7.962 1.00 0.36 H new ATOM 0 HB2 PHE A 30 7.399 -3.291 5.635 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.770 -4.998 5.778 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.791 -6.653 5.698 1.00 0.40 H new ATOM 0 HD2 PHE A 30 5.458 -2.587 4.467 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.800 -7.217 4.388 1.00 0.46 H new ATOM 0 HE2 PHE A 30 3.463 -3.150 3.152 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.625 -5.469 3.111 1.00 0.46 H new ATOM 432 N LEU A 31 4.832 -3.470 8.745 1.00 0.35 N ATOM 433 CA LEU A 31 3.667 -2.641 8.998 1.00 0.36 C ATOM 434 C LEU A 31 3.989 -1.475 9.892 1.00 0.39 C ATOM 435 O LEU A 31 3.511 -0.369 9.650 1.00 0.46 O ATOM 436 CB LEU A 31 2.493 -3.452 9.530 1.00 0.40 C ATOM 437 CG LEU A 31 1.942 -4.527 8.585 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.772 -5.238 9.221 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.532 -3.925 7.249 1.00 0.38 C ATOM 0 H LEU A 31 4.905 -4.299 9.335 1.00 0.35 H new ATOM 0 HA LEU A 31 3.360 -2.231 8.036 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.800 -3.934 10.458 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.684 -2.765 9.779 1.00 0.40 H new ATOM 0 HG LEU A 31 2.735 -5.251 8.400 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.393 -5.998 8.538 1.00 0.45 H new ATOM 0 HD12 LEU A 31 1.095 -5.712 10.148 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.017 -4.518 9.438 1.00 0.45 H new ATOM 0 HD21 LEU A 31 1.145 -4.710 6.599 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.759 -3.174 7.410 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.398 -3.459 6.779 1.00 0.38 H new ATOM 451 N ASP A 32 4.811 -1.706 10.911 1.00 0.43 N ATOM 452 CA ASP A 32 5.244 -0.608 11.785 1.00 0.52 C ATOM 453 C ASP A 32 6.541 0.000 11.230 1.00 0.50 C ATOM 454 O ASP A 32 7.202 0.844 11.869 1.00 0.66 O ATOM 455 CB ASP A 32 5.424 -1.038 13.276 1.00 0.69 C ATOM 456 CG ASP A 32 4.126 -1.394 14.026 1.00 1.46 C ATOM 457 OD1 ASP A 32 3.237 -0.499 14.168 1.00 1.95 O ATOM 458 OD2 ASP A 32 3.934 -2.573 14.419 1.00 2.20 O ATOM 0 H ASP A 32 5.187 -2.622 11.153 1.00 0.43 H new ATOM 0 HA ASP A 32 4.451 0.140 11.787 1.00 0.52 H new ATOM 0 HB2 ASP A 32 6.090 -1.900 13.309 1.00 0.69 H new ATOM 0 HB3 ASP A 32 5.922 -0.230 13.811 1.00 0.69 H new ATOM 463 N LEU A 33 6.898 -0.437 10.029 1.00 0.42 N ATOM 464 CA LEU A 33 8.036 0.079 9.289 1.00 0.50 C ATOM 465 C LEU A 33 7.628 1.356 8.548 1.00 0.45 C ATOM 466 O LEU A 33 6.444 1.618 8.374 1.00 0.57 O ATOM 467 CB LEU A 33 8.584 -1.000 8.330 1.00 0.66 C ATOM 468 CG LEU A 33 9.518 -2.058 8.958 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.958 -3.063 7.904 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.739 -1.395 9.562 1.00 1.18 C ATOM 0 H LEU A 33 6.394 -1.173 9.535 1.00 0.42 H new ATOM 0 HA LEU A 33 8.841 0.334 9.978 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.738 -1.516 7.875 1.00 0.66 H new ATOM 0 HB3 LEU A 33 9.123 -0.501 7.525 1.00 0.66 H new ATOM 0 HG LEU A 33 8.968 -2.576 9.744 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.616 -3.803 8.359 1.00 1.52 H new ATOM 0 HD12 LEU A 33 9.082 -3.562 7.489 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.492 -2.545 7.107 1.00 1.52 H new ATOM 0 HD21 LEU A 33 11.386 -2.155 10.000 1.00 1.18 H new ATOM 0 HD22 LEU A 33 11.284 -0.858 8.785 1.00 1.18 H new ATOM 0 HD23 LEU A 33 10.427 -0.694 10.336 1.00 1.18 H new ATOM 482 N ARG A 34 8.585 2.146 8.138 1.00 0.43 N ATOM 483 CA ARG A 34 8.269 3.433 7.524 1.00 0.42 C ATOM 484 C ARG A 34 8.379 3.356 6.013 1.00 0.36 C ATOM 485 O ARG A 34 9.121 2.528 5.491 1.00 0.45 O ATOM 486 CB ARG A 34 9.191 4.517 8.062 1.00 0.58 C ATOM 487 CG ARG A 34 9.176 4.613 9.570 1.00 0.77 C ATOM 488 CD ARG A 34 10.082 5.704 10.073 1.00 1.08 C ATOM 489 NE ARG A 34 10.238 5.655 11.531 1.00 1.82 N ATOM 490 CZ ARG A 34 10.747 6.639 12.278 1.00 2.41 C ATOM 491 NH1 ARG A 34 11.023 7.820 11.713 1.00 2.43 N ATOM 492 NH2 ARG A 34 10.950 6.448 13.572 1.00 3.44 N ATOM 0 H ARG A 34 9.580 1.936 8.211 1.00 0.43 H new ATOM 0 HA ARG A 34 7.240 3.685 7.779 1.00 0.42 H new ATOM 0 HB2 ARG A 34 10.209 4.319 7.727 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.897 5.478 7.640 1.00 0.58 H new ATOM 0 HG2 ARG A 34 8.158 4.801 9.911 1.00 0.77 H new ATOM 0 HG3 ARG A 34 9.485 3.659 9.997 1.00 0.77 H new ATOM 0 HD2 ARG A 34 11.060 5.611 9.600 1.00 1.08 H new ATOM 0 HD3 ARG A 34 9.678 6.674 9.783 1.00 1.08 H new ATOM 0 HE ARG A 34 9.935 4.807 12.010 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.845 7.964 10.719 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.412 8.576 12.276 1.00 2.43 H new ATOM 0 HH21 ARG A 34 10.718 5.551 13.998 1.00 3.44 H new ATOM 0 HH22 ARG A 34 11.339 7.198 14.143 1.00 3.44 H new ATOM 506 N PHE A 35 7.688 4.259 5.322 1.00 0.33 N ATOM 507 CA PHE A 35 7.670 4.262 3.875 1.00 0.33 C ATOM 508 C PHE A 35 9.031 4.637 3.309 1.00 0.38 C ATOM 509 O PHE A 35 9.510 4.009 2.354 1.00 0.43 O ATOM 510 CB PHE A 35 6.577 5.189 3.308 1.00 0.34 C ATOM 511 CG PHE A 35 5.157 4.691 3.483 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.793 3.445 2.983 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.181 5.465 4.126 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.501 2.980 3.127 1.00 0.50 C ATOM 515 CE2 PHE A 35 2.892 5.000 4.261 1.00 0.48 C ATOM 516 CZ PHE A 35 2.553 3.763 3.760 1.00 0.51 C ATOM 0 H PHE A 35 7.132 4.999 5.751 1.00 0.33 H new ATOM 0 HA PHE A 35 7.432 3.245 3.563 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.665 6.164 3.787 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.765 5.338 2.245 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.528 2.836 2.478 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.443 6.436 4.520 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.231 2.006 2.746 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.148 5.604 4.759 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.540 3.402 3.862 1.00 0.51 H new ATOM 526 N GLU A 36 9.680 5.602 3.932 1.00 0.48 N ATOM 527 CA GLU A 36 10.980 6.065 3.458 1.00 0.62 C ATOM 528 C GLU A 36 12.024 4.988 3.729 1.00 0.63 C ATOM 529 O GLU A 36 12.985 4.829 2.978 1.00 0.72 O ATOM 530 CB GLU A 36 11.455 7.368 4.153 1.00 0.83 C ATOM 531 CG GLU A 36 10.372 8.280 4.730 1.00 1.40 C ATOM 532 CD GLU A 36 9.875 7.795 6.081 1.00 1.83 C ATOM 533 OE1 GLU A 36 8.901 6.996 6.104 1.00 2.73 O ATOM 534 OE2 GLU A 36 10.408 8.238 7.114 1.00 1.89 O ATOM 0 H GLU A 36 9.335 6.081 4.763 1.00 0.48 H new ATOM 0 HA GLU A 36 10.868 6.271 2.394 1.00 0.62 H new ATOM 0 HB2 GLU A 36 12.133 7.093 4.961 1.00 0.83 H new ATOM 0 HB3 GLU A 36 12.035 7.944 3.432 1.00 0.83 H new ATOM 0 HG2 GLU A 36 10.767 9.291 4.831 1.00 1.40 H new ATOM 0 HG3 GLU A 36 9.535 8.333 4.034 1.00 1.40 H new ATOM 541 N ASP A 37 11.794 4.225 4.788 1.00 0.61 N ATOM 542 CA ASP A 37 12.732 3.202 5.227 1.00 0.70 C ATOM 543 C ASP A 37 12.699 2.008 4.288 1.00 0.69 C ATOM 544 O ASP A 37 13.699 1.339 4.072 1.00 0.82 O ATOM 545 CB ASP A 37 12.436 2.774 6.672 1.00 0.77 C ATOM 546 CG ASP A 37 13.481 1.809 7.208 1.00 0.98 C ATOM 547 OD1 ASP A 37 14.686 2.059 7.000 1.00 1.27 O ATOM 548 OD2 ASP A 37 13.118 0.799 7.843 1.00 1.36 O ATOM 0 H ASP A 37 10.956 4.297 5.365 1.00 0.61 H new ATOM 0 HA ASP A 37 13.736 3.625 5.202 1.00 0.70 H new ATOM 0 HB2 ASP A 37 12.397 3.657 7.310 1.00 0.77 H new ATOM 0 HB3 ASP A 37 11.453 2.305 6.717 1.00 0.77 H new ATOM 553 N ILE A 38 11.551 1.781 3.693 1.00 0.59 N ATOM 554 CA ILE A 38 11.412 0.703 2.733 1.00 0.63 C ATOM 555 C ILE A 38 11.707 1.156 1.303 1.00 0.63 C ATOM 556 O ILE A 38 11.442 0.439 0.346 1.00 0.66 O ATOM 557 CB ILE A 38 10.066 -0.066 2.820 1.00 0.59 C ATOM 558 CG1 ILE A 38 8.862 0.899 2.778 1.00 0.48 C ATOM 559 CG2 ILE A 38 10.040 -0.927 4.073 1.00 0.67 C ATOM 560 CD1 ILE A 38 7.504 0.217 2.738 1.00 0.54 C ATOM 0 H ILE A 38 10.702 2.323 3.853 1.00 0.59 H new ATOM 0 HA ILE A 38 12.177 -0.018 3.021 1.00 0.63 H new ATOM 0 HB ILE A 38 9.984 -0.717 1.950 1.00 0.59 H new ATOM 0 HG12 ILE A 38 8.902 1.547 3.653 1.00 0.48 H new ATOM 0 HG13 ILE A 38 8.958 1.540 1.902 1.00 0.48 H new ATOM 0 HG21 ILE A 38 9.092 -1.463 4.126 1.00 0.67 H new ATOM 0 HG22 ILE A 38 10.861 -1.643 4.039 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.148 -0.293 4.953 1.00 0.67 H new ATOM 0 HD11 ILE A 38 6.718 0.972 2.710 1.00 0.54 H new ATOM 0 HD12 ILE A 38 7.437 -0.409 1.848 1.00 0.54 H new ATOM 0 HD13 ILE A 38 7.381 -0.402 3.627 1.00 0.54 H new ATOM 572 N GLY A 39 12.330 2.313 1.186 1.00 0.63 N ATOM 573 CA GLY A 39 12.775 2.799 -0.098 1.00 0.68 C ATOM 574 C GLY A 39 11.710 3.521 -0.895 1.00 0.59 C ATOM 575 O GLY A 39 11.803 3.593 -2.116 1.00 0.70 O ATOM 0 H GLY A 39 12.538 2.932 1.969 1.00 0.63 H new ATOM 0 HA2 GLY A 39 13.618 3.473 0.054 1.00 0.68 H new ATOM 0 HA3 GLY A 39 13.143 1.957 -0.684 1.00 0.68 H new ATOM 579 N TYR A 40 10.699 4.041 -0.242 1.00 0.45 N ATOM 580 CA TYR A 40 9.665 4.755 -0.952 1.00 0.45 C ATOM 581 C TYR A 40 9.633 6.190 -0.556 1.00 0.47 C ATOM 582 O TYR A 40 9.668 6.520 0.619 1.00 0.62 O ATOM 583 CB TYR A 40 8.274 4.125 -0.752 1.00 0.42 C ATOM 584 CG TYR A 40 8.144 2.767 -1.369 1.00 0.46 C ATOM 585 CD1 TYR A 40 8.764 1.672 -0.807 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.420 2.582 -2.532 1.00 0.57 C ATOM 587 CE1 TYR A 40 8.672 0.432 -1.367 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.319 1.337 -3.110 1.00 0.68 C ATOM 589 CZ TYR A 40 7.954 0.266 -2.515 1.00 0.67 C ATOM 590 OH TYR A 40 7.874 -0.960 -3.066 1.00 0.78 O ATOM 0 H TYR A 40 10.570 3.985 0.768 1.00 0.45 H new ATOM 0 HA TYR A 40 9.913 4.683 -2.011 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.066 4.053 0.315 1.00 0.42 H new ATOM 0 HB3 TYR A 40 7.519 4.785 -1.180 1.00 0.42 H new ATOM 0 HD1 TYR A 40 9.337 1.799 0.100 1.00 0.53 H new ATOM 0 HD2 TYR A 40 6.927 3.425 -2.993 1.00 0.57 H new ATOM 0 HE1 TYR A 40 9.164 -0.412 -0.905 1.00 0.60 H new ATOM 0 HE2 TYR A 40 6.750 1.200 -4.018 1.00 0.68 H new ATOM 0 HH TYR A 40 7.201 -1.489 -2.590 1.00 0.78 H new ATOM 600 N ASP A 41 9.619 7.024 -1.531 1.00 0.55 N ATOM 601 CA ASP A 41 9.498 8.435 -1.329 1.00 0.69 C ATOM 602 C ASP A 41 8.050 8.812 -1.221 1.00 0.85 C ATOM 603 O ASP A 41 7.490 8.937 -0.140 1.00 1.62 O ATOM 604 CB ASP A 41 10.179 9.244 -2.461 1.00 0.82 C ATOM 605 CG ASP A 41 10.146 8.614 -3.852 1.00 0.99 C ATOM 606 OD1 ASP A 41 9.081 8.068 -4.234 1.00 1.32 O ATOM 607 OD2 ASP A 41 11.166 8.648 -4.570 1.00 1.27 O ATOM 0 H ASP A 41 9.692 6.749 -2.510 1.00 0.55 H new ATOM 0 HA ASP A 41 10.011 8.682 -0.399 1.00 0.69 H new ATOM 0 HB2 ASP A 41 9.703 10.223 -2.517 1.00 0.82 H new ATOM 0 HB3 ASP A 41 11.220 9.411 -2.185 1.00 0.82 H new ATOM 612 N SER A 42 7.479 8.949 -2.344 1.00 0.50 N ATOM 613 CA SER A 42 6.093 9.293 -2.525 1.00 0.53 C ATOM 614 C SER A 42 5.725 8.985 -3.978 1.00 0.51 C ATOM 615 O SER A 42 4.666 8.422 -4.261 1.00 0.48 O ATOM 616 CB SER A 42 5.875 10.756 -2.166 1.00 0.69 C ATOM 617 OG SER A 42 4.488 11.145 -2.289 1.00 1.05 O ATOM 0 H SER A 42 7.975 8.822 -3.226 1.00 0.50 H new ATOM 0 HA SER A 42 5.446 8.711 -1.868 1.00 0.53 H new ATOM 0 HB2 SER A 42 6.211 10.932 -1.144 1.00 0.69 H new ATOM 0 HB3 SER A 42 6.486 11.383 -2.815 1.00 0.69 H new ATOM 0 HG SER A 42 4.391 12.090 -2.048 1.00 1.05 H new ATOM 622 N LEU A 43 6.650 9.310 -4.882 1.00 0.57 N ATOM 623 CA LEU A 43 6.541 9.011 -6.313 1.00 0.62 C ATOM 624 C LEU A 43 6.299 7.517 -6.496 1.00 0.56 C ATOM 625 O LEU A 43 5.343 7.092 -7.154 1.00 0.58 O ATOM 626 CB LEU A 43 7.862 9.377 -7.024 1.00 0.74 C ATOM 627 CG LEU A 43 7.963 9.016 -8.518 1.00 0.86 C ATOM 628 CD1 LEU A 43 7.075 9.902 -9.367 1.00 1.40 C ATOM 629 CD2 LEU A 43 9.405 9.056 -8.999 1.00 1.19 C ATOM 0 H LEU A 43 7.512 9.797 -4.637 1.00 0.57 H new ATOM 0 HA LEU A 43 5.718 9.587 -6.736 1.00 0.62 H new ATOM 0 HB2 LEU A 43 8.018 10.451 -6.922 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.680 8.884 -6.498 1.00 0.74 H new ATOM 0 HG LEU A 43 7.604 7.993 -8.631 1.00 0.86 H new ATOM 0 HD11 LEU A 43 7.173 9.618 -10.415 1.00 1.40 H new ATOM 0 HD12 LEU A 43 6.038 9.784 -9.054 1.00 1.40 H new ATOM 0 HD13 LEU A 43 7.375 10.943 -9.244 1.00 1.40 H new ATOM 0 HD21 LEU A 43 9.443 8.797 -10.057 1.00 1.19 H new ATOM 0 HD22 LEU A 43 9.808 10.059 -8.856 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.999 8.342 -8.429 1.00 1.19 H new ATOM 641 N ALA A 44 7.153 6.733 -5.859 1.00 0.54 N ATOM 642 CA ALA A 44 7.090 5.289 -5.932 1.00 0.54 C ATOM 643 C ALA A 44 5.867 4.758 -5.200 1.00 0.47 C ATOM 644 O ALA A 44 5.344 3.708 -5.532 1.00 0.53 O ATOM 645 CB ALA A 44 8.361 4.687 -5.342 1.00 0.59 C ATOM 0 H ALA A 44 7.912 7.085 -5.275 1.00 0.54 H new ATOM 0 HA ALA A 44 7.007 4.999 -6.980 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.309 3.600 -5.399 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.226 5.039 -5.905 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.458 4.991 -4.300 1.00 0.59 H new ATOM 651 N LEU A 45 5.400 5.515 -4.241 1.00 0.42 N ATOM 652 CA LEU A 45 4.303 5.093 -3.393 1.00 0.38 C ATOM 653 C LEU A 45 2.971 5.199 -4.137 1.00 0.37 C ATOM 654 O LEU A 45 2.088 4.347 -3.945 1.00 0.39 O ATOM 655 CB LEU A 45 4.329 5.893 -2.072 1.00 0.35 C ATOM 656 CG LEU A 45 3.428 5.395 -0.914 1.00 0.37 C ATOM 657 CD1 LEU A 45 3.922 5.944 0.402 1.00 0.38 C ATOM 658 CD2 LEU A 45 1.994 5.831 -1.110 1.00 0.53 C ATOM 0 H LEU A 45 5.766 6.442 -4.022 1.00 0.42 H new ATOM 0 HA LEU A 45 4.419 4.041 -3.134 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.358 5.914 -1.712 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.049 6.922 -2.297 1.00 0.35 H new ATOM 0 HG LEU A 45 3.473 4.306 -0.908 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.281 5.587 1.208 1.00 0.38 H new ATOM 0 HD12 LEU A 45 4.944 5.608 0.575 1.00 0.38 H new ATOM 0 HD13 LEU A 45 3.898 7.033 0.374 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.386 5.467 -0.282 1.00 0.53 H new ATOM 0 HD22 LEU A 45 1.946 6.919 -1.144 1.00 0.53 H new ATOM 0 HD23 LEU A 45 1.614 5.422 -2.046 1.00 0.53 H new ATOM 670 N MET A 46 2.805 6.232 -4.983 1.00 0.37 N ATOM 671 CA MET A 46 1.582 6.334 -5.793 1.00 0.40 C ATOM 672 C MET A 46 1.357 5.084 -6.633 1.00 0.35 C ATOM 673 O MET A 46 0.227 4.598 -6.734 1.00 0.36 O ATOM 674 CB MET A 46 1.568 7.552 -6.699 1.00 0.52 C ATOM 675 CG MET A 46 1.523 8.872 -5.974 1.00 0.70 C ATOM 676 SD MET A 46 1.069 10.233 -7.074 1.00 0.96 S ATOM 677 CE MET A 46 -0.546 9.687 -7.644 1.00 2.41 C ATOM 0 H MET A 46 3.480 6.985 -5.120 1.00 0.37 H new ATOM 0 HA MET A 46 0.770 6.440 -5.074 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.456 7.529 -7.330 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.705 7.486 -7.361 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.805 8.812 -5.156 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.497 9.075 -5.529 1.00 0.70 H new ATOM 0 HE1 MET A 46 -1.173 10.555 -7.846 1.00 2.41 H new ATOM 0 HE2 MET A 46 -0.431 9.103 -8.557 1.00 2.41 H new ATOM 0 HE3 MET A 46 -1.014 9.072 -6.876 1.00 2.41 H new ATOM 687 N GLU A 47 2.433 4.544 -7.175 1.00 0.37 N ATOM 688 CA GLU A 47 2.369 3.334 -7.989 1.00 0.39 C ATOM 689 C GLU A 47 1.852 2.142 -7.166 1.00 0.37 C ATOM 690 O GLU A 47 1.038 1.339 -7.650 1.00 0.43 O ATOM 691 CB GLU A 47 3.741 3.033 -8.588 1.00 0.48 C ATOM 692 CG GLU A 47 4.255 4.113 -9.543 1.00 0.68 C ATOM 693 CD GLU A 47 3.378 4.259 -10.770 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.408 3.370 -11.645 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.658 5.271 -10.879 1.00 2.15 O ATOM 0 H GLU A 47 3.373 4.925 -7.067 1.00 0.37 H new ATOM 0 HA GLU A 47 1.664 3.501 -8.804 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.460 2.907 -7.778 1.00 0.48 H new ATOM 0 HB3 GLU A 47 3.693 2.084 -9.122 1.00 0.48 H new ATOM 0 HG2 GLU A 47 4.303 5.067 -9.018 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.271 3.868 -9.852 1.00 0.68 H new ATOM 702 N THR A 48 2.279 2.065 -5.920 1.00 0.36 N ATOM 703 CA THR A 48 1.851 1.017 -5.015 1.00 0.39 C ATOM 704 C THR A 48 0.334 1.124 -4.729 1.00 0.35 C ATOM 705 O THR A 48 -0.380 0.119 -4.710 1.00 0.40 O ATOM 706 CB THR A 48 2.645 1.123 -3.712 1.00 0.43 C ATOM 707 OG1 THR A 48 4.038 1.211 -4.043 1.00 0.51 O ATOM 708 CG2 THR A 48 2.409 -0.102 -2.848 1.00 0.51 C ATOM 0 H THR A 48 2.934 2.729 -5.507 1.00 0.36 H new ATOM 0 HA THR A 48 2.038 0.048 -5.479 1.00 0.39 H new ATOM 0 HB THR A 48 2.324 2.005 -3.157 1.00 0.43 H new ATOM 0 HG1 THR A 48 4.236 0.607 -4.789 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.981 -0.012 -1.924 1.00 0.51 H new ATOM 0 HG22 THR A 48 1.348 -0.182 -2.612 1.00 0.51 H new ATOM 0 HG23 THR A 48 2.728 -0.994 -3.387 1.00 0.51 H new ATOM 716 N ALA A 49 -0.148 2.343 -4.525 1.00 0.31 N ATOM 717 CA ALA A 49 -1.571 2.573 -4.286 1.00 0.32 C ATOM 718 C ALA A 49 -2.382 2.221 -5.527 1.00 0.30 C ATOM 719 O ALA A 49 -3.352 1.436 -5.451 1.00 0.32 O ATOM 720 CB ALA A 49 -1.817 4.010 -3.890 1.00 0.38 C ATOM 0 H ALA A 49 0.423 3.188 -4.520 1.00 0.31 H new ATOM 0 HA ALA A 49 -1.890 1.929 -3.467 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.882 4.162 -3.716 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.265 4.236 -2.978 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.482 4.670 -4.690 1.00 0.38 H new ATOM 726 N ALA A 50 -1.935 2.741 -6.687 1.00 0.29 N ATOM 727 CA ALA A 50 -2.610 2.515 -7.966 1.00 0.31 C ATOM 728 C ALA A 50 -2.680 1.027 -8.293 1.00 0.31 C ATOM 729 O ALA A 50 -3.647 0.556 -8.904 1.00 0.35 O ATOM 730 CB ALA A 50 -1.903 3.278 -9.082 1.00 0.39 C ATOM 0 H ALA A 50 -1.101 3.325 -6.757 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.631 2.888 -7.882 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.417 3.100 -10.027 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.915 4.345 -8.858 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.871 2.935 -9.160 1.00 0.39 H new ATOM 736 N ARG A 51 -1.657 0.299 -7.862 1.00 0.32 N ATOM 737 CA ARG A 51 -1.569 -1.148 -8.011 1.00 0.38 C ATOM 738 C ARG A 51 -2.822 -1.820 -7.423 1.00 0.37 C ATOM 739 O ARG A 51 -3.461 -2.651 -8.072 1.00 0.47 O ATOM 740 CB ARG A 51 -0.337 -1.651 -7.243 1.00 0.49 C ATOM 741 CG ARG A 51 -0.032 -3.129 -7.388 1.00 0.97 C ATOM 742 CD ARG A 51 0.819 -3.429 -8.616 1.00 0.98 C ATOM 743 NE ARG A 51 0.273 -2.926 -9.893 1.00 1.92 N ATOM 744 CZ ARG A 51 0.270 -3.628 -11.046 1.00 2.31 C ATOM 745 NH1 ARG A 51 0.702 -4.902 -11.070 1.00 2.05 N ATOM 746 NH2 ARG A 51 -0.130 -3.037 -12.176 1.00 3.40 N ATOM 0 H ARG A 51 -0.850 0.706 -7.390 1.00 0.32 H new ATOM 0 HA ARG A 51 -1.491 -1.394 -9.070 1.00 0.38 H new ATOM 0 HB2 ARG A 51 0.533 -1.085 -7.576 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -0.475 -1.429 -6.185 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.487 -3.479 -6.496 1.00 0.97 H new ATOM 0 HG3 ARG A 51 -0.967 -3.686 -7.453 1.00 0.97 H new ATOM 0 HD2 ARG A 51 1.809 -2.998 -8.467 1.00 0.98 H new ATOM 0 HD3 ARG A 51 0.949 -4.508 -8.694 1.00 0.98 H new ATOM 0 HE ARG A 51 -0.127 -1.988 -9.904 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.035 -5.344 -10.213 1.00 2.05 H new ATOM 0 HH12 ARG A 51 0.697 -5.426 -11.945 1.00 2.05 H new ATOM 0 HH21 ARG A 51 -0.430 -2.062 -12.163 1.00 3.40 H new ATOM 0 HH22 ARG A 51 -0.135 -3.561 -13.051 1.00 3.40 H new ATOM 760 N LEU A 52 -3.176 -1.419 -6.213 1.00 0.32 N ATOM 761 CA LEU A 52 -4.294 -2.020 -5.500 1.00 0.34 C ATOM 762 C LEU A 52 -5.622 -1.537 -6.046 1.00 0.33 C ATOM 763 O LEU A 52 -6.551 -2.348 -6.234 1.00 0.40 O ATOM 764 CB LEU A 52 -4.193 -1.777 -3.986 1.00 0.35 C ATOM 765 CG LEU A 52 -2.963 -2.386 -3.307 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.953 -2.066 -1.821 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.915 -3.893 -3.530 1.00 0.39 C ATOM 0 H LEU A 52 -2.703 -0.675 -5.700 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.242 -3.096 -5.663 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.192 -0.702 -3.806 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.087 -2.179 -3.510 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.074 -1.944 -3.757 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -2.070 -2.509 -1.359 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.932 -0.985 -1.682 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.850 -2.474 -1.355 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.033 -4.306 -3.039 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.811 -4.351 -3.112 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -2.866 -4.101 -4.599 1.00 0.39 H new ATOM 779 N GLU A 53 -5.701 -0.243 -6.354 1.00 0.28 N ATOM 780 CA GLU A 53 -6.916 0.352 -6.924 1.00 0.29 C ATOM 781 C GLU A 53 -7.281 -0.371 -8.228 1.00 0.31 C ATOM 782 O GLU A 53 -8.414 -0.765 -8.426 1.00 0.35 O ATOM 783 CB GLU A 53 -6.696 1.842 -7.242 1.00 0.29 C ATOM 784 CG GLU A 53 -6.328 2.743 -6.085 1.00 0.35 C ATOM 785 CD GLU A 53 -6.148 4.186 -6.542 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.132 4.490 -7.183 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.039 5.025 -6.273 1.00 0.51 O ATOM 0 H GLU A 53 -4.936 0.418 -6.219 1.00 0.28 H new ATOM 0 HA GLU A 53 -7.718 0.252 -6.193 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -5.909 1.916 -7.993 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -7.608 2.230 -7.697 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.105 2.695 -5.323 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.407 2.388 -5.624 1.00 0.35 H new ATOM 794 N SER A 54 -6.287 -0.582 -9.072 1.00 0.35 N ATOM 795 CA SER A 54 -6.481 -1.205 -10.375 1.00 0.43 C ATOM 796 C SER A 54 -6.816 -2.704 -10.273 1.00 0.47 C ATOM 797 O SER A 54 -7.467 -3.258 -11.144 1.00 0.61 O ATOM 798 CB SER A 54 -5.233 -1.008 -11.226 1.00 0.49 C ATOM 799 OG SER A 54 -4.888 0.368 -11.320 1.00 1.16 O ATOM 0 H SER A 54 -5.319 -0.327 -8.875 1.00 0.35 H new ATOM 0 HA SER A 54 -7.337 -0.719 -10.843 1.00 0.43 H new ATOM 0 HB2 SER A 54 -4.402 -1.565 -10.793 1.00 0.49 H new ATOM 0 HB3 SER A 54 -5.402 -1.412 -12.224 1.00 0.49 H new ATOM 0 HG SER A 54 -4.344 0.623 -10.545 1.00 1.16 H new ATOM 805 N ARG A 55 -6.387 -3.354 -9.204 1.00 0.40 N ATOM 806 CA ARG A 55 -6.633 -4.773 -9.072 1.00 0.46 C ATOM 807 C ARG A 55 -8.005 -5.036 -8.444 1.00 0.47 C ATOM 808 O ARG A 55 -8.714 -5.953 -8.844 1.00 0.57 O ATOM 809 CB ARG A 55 -5.529 -5.472 -8.258 1.00 0.50 C ATOM 810 CG ARG A 55 -5.611 -6.998 -8.301 1.00 0.61 C ATOM 811 CD ARG A 55 -4.541 -7.652 -7.449 1.00 0.75 C ATOM 812 NE ARG A 55 -4.524 -9.117 -7.626 1.00 1.28 N ATOM 813 CZ ARG A 55 -4.166 -10.010 -6.677 1.00 1.65 C ATOM 814 NH1 ARG A 55 -3.860 -9.594 -5.453 1.00 1.46 N ATOM 815 NH2 ARG A 55 -4.147 -11.314 -6.970 1.00 2.65 N ATOM 0 H ARG A 55 -5.876 -2.928 -8.430 1.00 0.40 H new ATOM 0 HA ARG A 55 -6.623 -5.195 -10.077 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -4.556 -5.158 -8.636 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.590 -5.142 -7.221 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.594 -7.317 -7.955 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -5.510 -7.337 -9.332 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -3.566 -7.242 -7.711 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.715 -7.414 -6.400 1.00 0.75 H new ATOM 0 HE ARG A 55 -4.804 -9.484 -8.535 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -3.895 -8.600 -5.229 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -3.590 -10.269 -4.738 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -4.402 -11.630 -7.906 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -3.878 -11.993 -6.258 1.00 2.65 H new ATOM 829 N TYR A 56 -8.371 -4.226 -7.474 1.00 0.42 N ATOM 830 CA TYR A 56 -9.614 -4.438 -6.742 1.00 0.47 C ATOM 831 C TYR A 56 -10.756 -3.533 -7.215 1.00 0.50 C ATOM 832 O TYR A 56 -11.916 -3.769 -6.889 1.00 0.67 O ATOM 833 CB TYR A 56 -9.375 -4.342 -5.218 1.00 0.52 C ATOM 834 CG TYR A 56 -8.480 -5.458 -4.681 1.00 0.53 C ATOM 835 CD1 TYR A 56 -9.017 -6.658 -4.227 1.00 0.62 C ATOM 836 CD2 TYR A 56 -7.101 -5.294 -4.591 1.00 0.59 C ATOM 837 CE1 TYR A 56 -8.213 -7.656 -3.699 1.00 0.70 C ATOM 838 CE2 TYR A 56 -6.288 -6.291 -4.076 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.836 -7.531 -3.773 1.00 0.67 C ATOM 840 OH TYR A 56 -6.041 -8.453 -3.088 1.00 0.79 O ATOM 0 H TYR A 56 -7.832 -3.415 -7.170 1.00 0.42 H new ATOM 0 HA TYR A 56 -9.946 -5.452 -6.965 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -8.922 -3.378 -4.987 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.335 -4.374 -4.703 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -10.084 -6.816 -4.287 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.655 -4.370 -4.930 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -8.657 -8.524 -3.234 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -5.237 -6.105 -3.912 1.00 0.65 H new ATOM 0 HH TYR A 56 -5.136 -8.091 -2.985 1.00 0.79 H new ATOM 850 N GLY A 57 -10.434 -2.525 -8.002 1.00 0.41 N ATOM 851 CA GLY A 57 -11.454 -1.655 -8.559 1.00 0.45 C ATOM 852 C GLY A 57 -11.837 -0.540 -7.614 1.00 0.46 C ATOM 853 O GLY A 57 -13.008 -0.149 -7.539 1.00 0.61 O ATOM 0 H GLY A 57 -9.479 -2.288 -8.270 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.092 -1.227 -9.494 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.339 -2.244 -8.799 1.00 0.45 H new ATOM 857 N VAL A 58 -10.860 -0.005 -6.916 1.00 0.38 N ATOM 858 CA VAL A 58 -11.142 1.007 -5.919 1.00 0.42 C ATOM 859 C VAL A 58 -10.466 2.320 -6.295 1.00 0.45 C ATOM 860 O VAL A 58 -9.881 2.419 -7.377 1.00 0.51 O ATOM 861 CB VAL A 58 -10.717 0.554 -4.456 1.00 0.42 C ATOM 862 CG1 VAL A 58 -11.054 -0.888 -4.238 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.236 0.784 -4.134 1.00 0.57 C ATOM 0 H VAL A 58 -9.875 -0.249 -7.017 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.222 1.153 -5.902 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.286 1.189 -3.777 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.757 -1.183 -3.232 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -12.128 -1.033 -4.356 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.523 -1.500 -4.967 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -9.028 0.449 -3.118 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.620 0.221 -4.835 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.006 1.846 -4.220 1.00 0.57 H new ATOM 873 N SER A 59 -10.576 3.307 -5.446 1.00 0.51 N ATOM 874 CA SER A 59 -9.846 4.518 -5.598 1.00 0.61 C ATOM 875 C SER A 59 -9.612 5.083 -4.210 1.00 0.56 C ATOM 876 O SER A 59 -10.503 5.006 -3.349 1.00 0.63 O ATOM 877 CB SER A 59 -10.560 5.531 -6.509 1.00 0.84 C ATOM 878 OG SER A 59 -9.708 6.649 -6.792 1.00 1.59 O ATOM 0 H SER A 59 -11.182 3.284 -4.626 1.00 0.51 H new ATOM 0 HA SER A 59 -8.897 4.311 -6.093 1.00 0.61 H new ATOM 0 HB2 SER A 59 -10.853 5.046 -7.440 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.475 5.878 -6.028 1.00 0.84 H new ATOM 0 HG SER A 59 -8.771 6.380 -6.691 1.00 1.59 H new ATOM 884 N ILE A 60 -8.419 5.559 -3.974 1.00 0.50 N ATOM 885 CA ILE A 60 -8.061 6.140 -2.703 1.00 0.48 C ATOM 886 C ILE A 60 -8.275 7.657 -2.747 1.00 0.53 C ATOM 887 O ILE A 60 -7.763 8.334 -3.644 1.00 0.63 O ATOM 888 CB ILE A 60 -6.584 5.794 -2.309 1.00 0.48 C ATOM 889 CG1 ILE A 60 -6.444 4.288 -2.066 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.118 6.577 -1.071 1.00 0.53 C ATOM 891 CD1 ILE A 60 -7.357 3.754 -0.969 1.00 0.75 C ATOM 0 H ILE A 60 -7.663 5.556 -4.659 1.00 0.50 H new ATOM 0 HA ILE A 60 -8.707 5.713 -1.936 1.00 0.48 H new ATOM 0 HB ILE A 60 -5.945 6.089 -3.141 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -6.659 3.758 -2.994 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -5.409 4.066 -1.804 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.089 6.305 -0.835 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.173 7.646 -1.275 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -6.761 6.335 -0.224 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -7.201 2.681 -0.856 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -7.128 4.256 -0.029 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -8.397 3.943 -1.237 1.00 0.75 H new ATOM 903 N PRO A 61 -9.054 8.214 -1.801 1.00 0.65 N ATOM 904 CA PRO A 61 -9.330 9.644 -1.763 1.00 0.77 C ATOM 905 C PRO A 61 -8.078 10.435 -1.395 1.00 0.65 C ATOM 906 O PRO A 61 -7.441 10.175 -0.353 1.00 0.57 O ATOM 907 CB PRO A 61 -10.402 9.795 -0.676 1.00 0.97 C ATOM 908 CG PRO A 61 -10.866 8.401 -0.384 1.00 1.08 C ATOM 909 CD PRO A 61 -9.710 7.510 -0.693 1.00 0.83 C ATOM 0 HA PRO A 61 -9.656 10.026 -2.730 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -9.993 10.269 0.217 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -11.226 10.420 -1.020 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.168 8.301 0.658 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -11.732 8.142 -0.993 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -9.046 7.394 0.164 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -10.034 6.510 -0.982 1.00 0.83 H new ATOM 917 N ASP A 62 -7.762 11.386 -2.244 1.00 0.74 N ATOM 918 CA ASP A 62 -6.579 12.287 -2.141 1.00 0.73 C ATOM 919 C ASP A 62 -6.385 12.848 -0.720 1.00 0.62 C ATOM 920 O ASP A 62 -5.348 12.634 -0.089 1.00 0.64 O ATOM 921 CB ASP A 62 -6.760 13.435 -3.157 1.00 0.93 C ATOM 922 CG ASP A 62 -5.676 14.491 -3.110 1.00 1.44 C ATOM 923 OD1 ASP A 62 -5.819 15.451 -2.334 1.00 1.92 O ATOM 924 OD2 ASP A 62 -4.724 14.418 -3.912 1.00 2.07 O ATOM 0 H ASP A 62 -8.330 11.582 -3.068 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.681 11.711 -2.365 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.795 13.013 -4.161 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -7.723 13.913 -2.979 1.00 0.93 H new ATOM 929 N ASP A 63 -7.427 13.489 -0.212 1.00 0.63 N ATOM 930 CA ASP A 63 -7.443 14.112 1.127 1.00 0.61 C ATOM 931 C ASP A 63 -7.180 13.103 2.240 1.00 0.59 C ATOM 932 O ASP A 63 -6.656 13.448 3.310 1.00 0.64 O ATOM 933 CB ASP A 63 -8.819 14.731 1.408 1.00 0.77 C ATOM 934 CG ASP A 63 -9.240 15.775 0.411 1.00 1.36 C ATOM 935 OD1 ASP A 63 -9.680 15.398 -0.691 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.183 16.975 0.740 1.00 2.10 O ATOM 0 H ASP A 63 -8.306 13.599 -0.718 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.654 14.864 1.120 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -9.566 13.937 1.423 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -8.808 15.178 2.402 1.00 0.77 H new ATOM 941 N VAL A 64 -7.575 11.871 2.021 1.00 0.62 N ATOM 942 CA VAL A 64 -7.458 10.835 3.026 1.00 0.69 C ATOM 943 C VAL A 64 -6.065 10.181 2.997 1.00 0.67 C ATOM 944 O VAL A 64 -5.548 9.754 4.030 1.00 0.78 O ATOM 945 CB VAL A 64 -8.588 9.774 2.872 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.491 8.680 3.921 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.951 10.441 2.949 1.00 0.90 C ATOM 0 H VAL A 64 -7.987 11.556 1.142 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.577 11.305 4.002 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.463 9.309 1.894 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.299 7.963 3.775 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.532 8.170 3.828 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.572 9.120 4.915 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.731 9.688 2.840 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -10.059 10.938 3.913 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -10.042 11.176 2.149 1.00 0.90 H new ATOM 957 N ALA A 65 -5.456 10.169 1.825 1.00 0.61 N ATOM 958 CA ALA A 65 -4.155 9.537 1.610 1.00 0.67 C ATOM 959 C ALA A 65 -3.064 10.203 2.442 1.00 0.64 C ATOM 960 O ALA A 65 -2.213 9.530 3.022 1.00 0.74 O ATOM 961 CB ALA A 65 -3.809 9.580 0.139 1.00 0.77 C ATOM 0 H ALA A 65 -5.848 10.599 0.987 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.218 8.498 1.935 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.839 9.109 -0.021 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.570 9.046 -0.430 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.768 10.617 -0.195 1.00 0.77 H new ATOM 967 N GLY A 66 -3.135 11.509 2.556 1.00 0.58 N ATOM 968 CA GLY A 66 -2.142 12.246 3.326 1.00 0.66 C ATOM 969 C GLY A 66 -2.455 12.264 4.812 1.00 0.68 C ATOM 970 O GLY A 66 -2.247 13.267 5.481 1.00 0.86 O ATOM 0 H GLY A 66 -3.861 12.086 2.131 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.160 11.798 3.170 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.088 13.270 2.957 1.00 0.66 H new ATOM 974 N ARG A 67 -2.979 11.163 5.332 1.00 0.64 N ATOM 975 CA ARG A 67 -3.311 11.067 6.752 1.00 0.79 C ATOM 976 C ARG A 67 -2.724 9.780 7.366 1.00 0.77 C ATOM 977 O ARG A 67 -3.072 9.407 8.491 1.00 0.95 O ATOM 978 CB ARG A 67 -4.844 11.140 6.978 1.00 0.94 C ATOM 979 CG ARG A 67 -5.499 12.395 6.392 1.00 1.12 C ATOM 980 CD ARG A 67 -6.991 12.456 6.685 1.00 1.40 C ATOM 981 NE ARG A 67 -7.657 13.562 5.963 1.00 1.89 N ATOM 982 CZ ARG A 67 -8.717 14.267 6.428 1.00 2.51 C ATOM 983 NH1 ARG A 67 -9.123 14.113 7.696 1.00 2.93 N ATOM 984 NH2 ARG A 67 -9.346 15.154 5.641 1.00 3.22 N ATOM 0 H ARG A 67 -3.185 10.321 4.794 1.00 0.64 H new ATOM 0 HA ARG A 67 -2.861 11.921 7.258 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -5.309 10.259 6.535 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -5.046 11.103 8.049 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -5.014 13.281 6.802 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.341 12.415 5.314 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -7.454 11.510 6.404 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -7.144 12.580 7.757 1.00 1.40 H new ATOM 0 HE ARG A 67 -7.290 13.813 5.045 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -8.634 13.464 8.313 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.921 14.644 8.044 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -9.027 15.302 4.684 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -10.143 15.680 6.000 1.00 3.22 H new ATOM 998 N VAL A 68 -1.843 9.106 6.632 1.00 0.62 N ATOM 999 CA VAL A 68 -1.192 7.891 7.133 1.00 0.66 C ATOM 1000 C VAL A 68 0.292 8.153 7.449 1.00 0.67 C ATOM 1001 O VAL A 68 0.800 9.279 7.233 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.270 6.701 6.103 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.701 6.288 5.850 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.607 7.074 4.773 1.00 0.64 C ATOM 0 H VAL A 68 -1.561 9.377 5.690 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.731 7.612 8.038 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.732 5.862 6.545 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.721 5.465 5.135 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -3.158 5.967 6.786 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.258 7.133 5.446 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.677 6.233 4.083 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.114 7.938 4.344 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.442 7.316 4.945 1.00 0.64 H new ATOM 1014 N ASP A 69 0.967 7.135 7.972 1.00 0.54 N ATOM 1015 CA ASP A 69 2.427 7.153 8.163 1.00 0.64 C ATOM 1016 C ASP A 69 3.027 5.784 7.918 1.00 0.50 C ATOM 1017 O ASP A 69 4.157 5.660 7.469 1.00 0.54 O ATOM 1018 CB ASP A 69 2.869 7.653 9.561 1.00 0.99 C ATOM 1019 CG ASP A 69 3.141 9.148 9.630 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.048 9.648 8.915 1.00 1.37 O ATOM 1021 OD2 ASP A 69 2.451 9.857 10.394 1.00 1.84 O ATOM 0 H ASP A 69 0.524 6.269 8.278 1.00 0.54 H new ATOM 0 HA ASP A 69 2.800 7.867 7.428 1.00 0.64 H new ATOM 0 HB2 ASP A 69 2.095 7.402 10.286 1.00 0.99 H new ATOM 0 HB3 ASP A 69 3.770 7.117 9.858 1.00 0.99 H new ATOM 1026 N THR A 70 2.278 4.752 8.211 1.00 0.43 N ATOM 1027 CA THR A 70 2.781 3.403 8.064 1.00 0.37 C ATOM 1028 C THR A 70 1.913 2.554 7.110 1.00 0.33 C ATOM 1029 O THR A 70 0.724 2.845 6.917 1.00 0.34 O ATOM 1030 CB THR A 70 2.857 2.716 9.453 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.591 2.833 10.120 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.952 3.320 10.321 1.00 0.44 C ATOM 0 H THR A 70 1.319 4.816 8.552 1.00 0.43 H new ATOM 0 HA THR A 70 3.777 3.473 7.626 1.00 0.37 H new ATOM 0 HB THR A 70 3.098 1.665 9.294 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.641 2.397 10.996 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.973 2.812 11.285 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.916 3.200 9.826 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.752 4.380 10.474 1.00 0.44 H new ATOM 1040 N PRO A 71 2.508 1.485 6.502 1.00 0.32 N ATOM 1041 CA PRO A 71 1.779 0.506 5.645 1.00 0.31 C ATOM 1042 C PRO A 71 0.618 -0.136 6.405 1.00 0.29 C ATOM 1043 O PRO A 71 -0.375 -0.573 5.820 1.00 0.33 O ATOM 1044 CB PRO A 71 2.838 -0.557 5.348 1.00 0.34 C ATOM 1045 CG PRO A 71 4.132 0.159 5.456 1.00 0.38 C ATOM 1046 CD PRO A 71 3.954 1.170 6.556 1.00 0.36 C ATOM 0 HA PRO A 71 1.352 0.970 4.756 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.781 -1.382 6.059 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.703 -0.983 4.354 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.942 -0.532 5.688 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.388 0.646 4.515 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.241 0.763 7.526 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.565 2.057 6.389 1.00 0.36 H new ATOM 1054 N ARG A 72 0.771 -0.158 7.710 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.222 -0.660 8.662 1.00 0.34 C ATOM 1056 C ARG A 72 -1.567 0.043 8.440 1.00 0.36 C ATOM 1057 O ARG A 72 -2.627 -0.581 8.387 1.00 0.43 O ATOM 1058 CB ARG A 72 0.297 -0.333 10.064 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.563 -0.772 11.219 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.008 -0.211 12.521 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.079 1.271 12.545 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.382 2.050 13.542 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.278 1.565 14.418 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.057 3.345 13.585 1.00 1.16 N ATOM 0 H ARG A 72 1.618 0.183 8.164 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.370 -1.732 8.534 1.00 0.34 H new ATOM 0 HB2 ARG A 72 1.280 -0.789 10.178 1.00 0.41 H new ATOM 0 HB3 ARG A 72 0.436 0.746 10.133 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.587 -0.429 11.072 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -0.595 -1.860 11.266 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -0.569 -0.617 13.363 1.00 0.69 H new ATOM 0 HD3 ARG A 72 1.027 -0.529 12.644 1.00 0.69 H new ATOM 0 HE ARG A 72 -0.510 1.735 11.745 1.00 0.75 H new ATOM 0 HH11 ARG A 72 1.610 0.605 14.329 1.00 1.38 H new ATOM 0 HH12 ARG A 72 1.626 2.157 15.172 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.541 3.745 12.862 1.00 1.16 H new ATOM 0 HH22 ARG A 72 0.407 3.934 14.341 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.481 1.337 8.254 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.636 2.205 8.118 1.00 0.42 C ATOM 1080 C GLU A 73 -3.142 2.207 6.682 1.00 0.40 C ATOM 1081 O GLU A 73 -4.322 2.420 6.421 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.214 3.578 8.608 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.722 3.492 10.041 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.841 4.621 10.456 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.002 5.063 9.622 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -0.917 5.016 11.626 1.00 1.33 O ATOM 0 H GLU A 73 -0.591 1.831 8.191 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.478 1.856 8.716 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.426 3.975 7.968 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.054 4.269 8.545 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.584 3.455 10.707 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.179 2.556 10.171 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.242 1.908 5.759 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.590 1.787 4.345 1.00 0.43 C ATOM 1095 C LEU A 74 -3.528 0.564 4.195 1.00 0.41 C ATOM 1096 O LEU A 74 -4.559 0.620 3.508 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.274 1.609 3.537 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.288 1.881 2.011 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.112 1.744 1.456 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.234 0.964 1.259 1.00 1.10 C ATOM 0 H LEU A 74 -1.256 1.743 5.962 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.105 2.670 3.968 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.524 2.263 3.981 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.932 0.585 3.686 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.652 2.899 1.869 1.00 0.50 H new ATOM 0 HD11 LEU A 74 0.098 1.936 0.383 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.769 2.463 1.945 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.479 0.734 1.639 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.202 1.201 0.196 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -1.932 -0.073 1.409 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.249 1.104 1.631 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.164 -0.526 4.874 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.936 -1.764 4.856 1.00 0.41 C ATOM 1114 C LEU A 75 -5.369 -1.529 5.361 1.00 0.39 C ATOM 1115 O LEU A 75 -6.348 -1.972 4.724 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.245 -2.820 5.727 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.878 -4.215 5.754 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.780 -4.890 4.393 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -3.231 -5.071 6.836 1.00 0.54 C ATOM 0 H LEU A 75 -2.324 -0.572 5.451 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.990 -2.118 3.827 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -2.215 -2.921 5.385 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.206 -2.445 6.750 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.936 -4.104 5.990 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -4.237 -5.878 4.443 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -4.300 -4.287 3.649 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.732 -4.989 4.111 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.692 -6.059 6.842 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -2.165 -5.169 6.633 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.373 -4.598 7.808 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.480 -0.807 6.487 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.773 -0.502 7.130 1.00 0.48 C ATOM 1133 C ASP A 76 -7.661 0.274 6.165 1.00 0.40 C ATOM 1134 O ASP A 76 -8.822 -0.072 5.944 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.542 0.353 8.395 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.801 0.575 9.244 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.693 1.354 8.796 1.00 1.89 O ATOM 1138 OD2 ASP A 76 -7.949 -0.038 10.331 1.00 1.08 O ATOM 0 H ASP A 76 -4.677 -0.417 6.980 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.258 -1.439 7.403 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.782 -0.128 9.011 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -6.143 1.323 8.097 1.00 0.66 H new ATOM 1143 N LEU A 77 -7.070 1.278 5.533 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.765 2.153 4.597 1.00 0.38 C ATOM 1145 C LEU A 77 -8.363 1.380 3.410 1.00 0.33 C ATOM 1146 O LEU A 77 -9.495 1.652 2.994 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.811 3.248 4.104 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.406 4.296 3.157 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.533 5.043 3.832 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.332 5.265 2.698 1.00 1.24 C ATOM 0 H LEU A 77 -6.085 1.511 5.656 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.600 2.611 5.128 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.406 3.765 4.974 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.973 2.768 3.599 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.807 3.781 2.284 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.943 5.783 3.144 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -9.316 4.340 4.117 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -8.155 5.546 4.722 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.771 6.003 2.026 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.905 5.771 3.564 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.548 4.718 2.174 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.616 0.416 2.887 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.089 -0.373 1.756 1.00 0.32 C ATOM 1164 C ILE A 78 -9.246 -1.247 2.211 1.00 0.29 C ATOM 1165 O ILE A 78 -10.335 -1.192 1.636 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.971 -1.280 1.151 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.788 -0.442 0.637 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.528 -2.149 0.023 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -6.114 0.450 -0.553 1.00 0.63 C ATOM 0 H ILE A 78 -6.687 0.163 3.224 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.405 0.322 0.978 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.609 -1.929 1.948 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -5.420 0.181 1.452 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -4.977 -1.115 0.359 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.731 -2.772 -0.383 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.323 -2.785 0.412 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.927 -1.510 -0.765 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -5.222 1.004 -0.848 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -6.452 -0.165 -1.387 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -6.902 1.151 -0.277 1.00 0.63 H new ATOM 1181 N ASN A 79 -9.005 -2.020 3.272 1.00 0.30 N ATOM 1182 CA ASN A 79 -10.004 -2.946 3.821 1.00 0.33 C ATOM 1183 C ASN A 79 -11.301 -2.219 4.184 1.00 0.37 C ATOM 1184 O ASN A 79 -12.396 -2.730 3.923 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.473 -3.679 5.074 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.548 -4.880 4.810 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -8.539 -5.829 5.584 1.00 1.21 O ATOM 1188 ND2 ASN A 79 -7.768 -4.861 3.757 1.00 0.55 N ATOM 0 H ASN A 79 -8.117 -2.024 3.774 1.00 0.30 H new ATOM 0 HA ASN A 79 -10.208 -3.678 3.040 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.935 -2.959 5.691 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -10.326 -4.024 5.658 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -7.141 -5.644 3.572 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.788 -4.063 3.122 1.00 0.55 H new ATOM 1195 N GLY A 80 -11.170 -1.040 4.762 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.324 -0.254 5.148 1.00 0.46 C ATOM 1197 C GLY A 80 -13.147 0.201 3.969 1.00 0.47 C ATOM 1198 O GLY A 80 -14.366 0.020 3.955 1.00 0.57 O ATOM 0 H GLY A 80 -10.272 -0.605 4.975 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.951 -0.844 5.816 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.991 0.618 5.710 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.480 0.738 2.951 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.171 1.286 1.787 1.00 0.49 C ATOM 1204 C ALA A 81 -13.931 0.195 1.027 1.00 0.54 C ATOM 1205 O ALA A 81 -15.002 0.439 0.463 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.193 2.018 0.884 1.00 0.49 C ATOM 0 H ALA A 81 -11.463 0.805 2.908 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.910 2.007 2.137 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.725 2.420 0.022 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.729 2.835 1.437 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.423 1.325 0.545 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.388 -1.012 1.048 1.00 0.48 N ATOM 1213 CA LEU A 82 -14.022 -2.174 0.418 1.00 0.57 C ATOM 1214 C LEU A 82 -15.395 -2.447 1.044 1.00 0.70 C ATOM 1215 O LEU A 82 -16.353 -2.845 0.354 1.00 0.87 O ATOM 1216 CB LEU A 82 -13.143 -3.415 0.607 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.747 -3.360 -0.025 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.933 -4.555 0.410 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.838 -3.306 -1.535 1.00 0.63 C ATOM 0 H LEU A 82 -12.497 -1.220 1.500 1.00 0.48 H new ATOM 0 HA LEU A 82 -14.144 -1.958 -0.643 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -13.028 -3.593 1.676 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.672 -4.275 0.195 1.00 0.54 H new ATOM 0 HG LEU A 82 -11.252 -2.451 0.316 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -9.943 -4.506 -0.044 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.834 -4.552 1.496 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -11.433 -5.470 0.093 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -10.835 -3.268 -1.959 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -12.353 -4.195 -1.901 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -12.393 -2.417 -1.835 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.510 -2.175 2.331 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.724 -2.448 3.078 1.00 0.87 C ATOM 1233 C ALA A 83 -17.787 -1.371 2.855 1.00 1.01 C ATOM 1234 O ALA A 83 -18.933 -1.510 3.317 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.417 -2.609 4.559 1.00 0.90 C ATOM 0 H ALA A 83 -14.764 -1.758 2.888 1.00 0.69 H new ATOM 0 HA ALA A 83 -17.134 -3.386 2.704 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.340 -2.813 5.102 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.723 -3.438 4.699 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -15.968 -1.692 4.939 1.00 0.90 H new