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 -39:sc= 1.94 USER MOD Set 1.2: A 48 THR OG1 : rot -21:sc= -1.17 USER MOD Single : A 6 THR OG1 : rot -82:sc= 1.35 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -146:sc= 0.68 USER MOD Single : A 42 SER OG : rot 180:sc= 0.16 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -87:sc= 1.15 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.04 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0445 USER MOD Single : A 70 THR OG1 : rot -50:sc= 0.889 USER MOD Single : A 79 ASN :FLIP amide:sc= -0.951 F(o=-1.5,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -10.567 -8.368 0.939 1.00 0.86 N ATOM 45 CA LEU A 4 -9.434 -7.911 1.716 1.00 0.72 C ATOM 46 C LEU A 4 -8.128 -8.473 1.201 1.00 0.67 C ATOM 47 O LEU A 4 -7.923 -9.703 1.163 1.00 0.83 O ATOM 48 CB LEU A 4 -9.572 -8.237 3.226 1.00 0.71 C ATOM 49 CG LEU A 4 -10.524 -7.365 4.081 1.00 0.87 C ATOM 50 CD1 LEU A 4 -11.961 -7.486 3.650 1.00 0.80 C ATOM 51 CD2 LEU A 4 -10.392 -7.724 5.549 1.00 1.75 C ATOM 0 HA LEU A 4 -9.424 -6.827 1.600 1.00 0.72 H new ATOM 0 HB2 LEU A 4 -9.901 -9.273 3.314 1.00 0.71 H new ATOM 0 HB3 LEU A 4 -8.579 -8.179 3.671 1.00 0.71 H new ATOM 0 HG LEU A 4 -10.226 -6.328 3.929 1.00 0.87 H new ATOM 0 HD11 LEU A 4 -12.585 -6.854 4.282 1.00 0.80 H new ATOM 0 HD12 LEU A 4 -12.057 -7.168 2.612 1.00 0.80 H new ATOM 0 HD13 LEU A 4 -12.283 -8.523 3.743 1.00 0.80 H new ATOM 0 HD21 LEU A 4 -11.067 -7.103 6.138 1.00 1.75 H new ATOM 0 HD22 LEU A 4 -10.648 -8.774 5.691 1.00 1.75 H new ATOM 0 HD23 LEU A 4 -9.366 -7.554 5.874 1.00 1.75 H new ATOM 63 N LEU A 5 -7.266 -7.582 0.757 1.00 0.55 N ATOM 64 CA LEU A 5 -5.918 -7.950 0.407 1.00 0.51 C ATOM 65 C LEU A 5 -5.211 -8.370 1.675 1.00 0.46 C ATOM 66 O LEU A 5 -5.470 -7.805 2.763 1.00 0.50 O ATOM 67 CB LEU A 5 -5.117 -6.800 -0.274 1.00 0.53 C ATOM 68 CG LEU A 5 -4.691 -5.577 0.569 1.00 0.62 C ATOM 69 CD1 LEU A 5 -3.679 -4.754 -0.195 1.00 0.66 C ATOM 70 CD2 LEU A 5 -5.866 -4.700 0.907 1.00 0.95 C ATOM 0 H LEU A 5 -7.481 -6.593 0.631 1.00 0.55 H new ATOM 0 HA LEU A 5 -5.970 -8.759 -0.322 1.00 0.51 H new ATOM 0 HB2 LEU A 5 -4.213 -7.237 -0.699 1.00 0.53 H new ATOM 0 HB3 LEU A 5 -5.715 -6.432 -1.107 1.00 0.53 H new ATOM 0 HG LEU A 5 -4.257 -5.953 1.495 1.00 0.62 H new ATOM 0 HD11 LEU A 5 -3.383 -3.893 0.405 1.00 0.66 H new ATOM 0 HD12 LEU A 5 -2.802 -5.365 -0.411 1.00 0.66 H new ATOM 0 HD13 LEU A 5 -4.121 -4.410 -1.130 1.00 0.66 H new ATOM 0 HD21 LEU A 5 -5.527 -3.851 1.500 1.00 0.95 H new ATOM 0 HD22 LEU A 5 -6.327 -4.340 -0.012 1.00 0.95 H new ATOM 0 HD23 LEU A 5 -6.596 -5.274 1.478 1.00 0.95 H new ATOM 82 N THR A 6 -4.371 -9.337 1.567 1.00 0.47 N ATOM 83 CA THR A 6 -3.667 -9.822 2.697 1.00 0.49 C ATOM 84 C THR A 6 -2.408 -8.997 2.919 1.00 0.40 C ATOM 85 O THR A 6 -2.106 -8.060 2.136 1.00 0.38 O ATOM 86 CB THR A 6 -3.317 -11.321 2.534 1.00 0.70 C ATOM 87 OG1 THR A 6 -2.522 -11.515 1.337 1.00 0.82 O ATOM 88 CG2 THR A 6 -4.582 -12.160 2.429 1.00 0.93 C ATOM 0 H THR A 6 -4.153 -9.814 0.692 1.00 0.47 H new ATOM 0 HA THR A 6 -4.310 -9.725 3.572 1.00 0.49 H new ATOM 0 HB THR A 6 -2.751 -11.636 3.411 1.00 0.70 H new ATOM 0 HG1 THR A 6 -3.112 -11.559 0.556 1.00 0.82 H new ATOM 0 HG21 THR A 6 -4.314 -13.210 2.315 1.00 0.93 H new ATOM 0 HG22 THR A 6 -5.178 -12.034 3.333 1.00 0.93 H new ATOM 0 HG23 THR A 6 -5.162 -11.838 1.564 1.00 0.93 H new ATOM 96 N THR A 7 -1.645 -9.354 3.920 1.00 0.44 N ATOM 97 CA THR A 7 -0.411 -8.683 4.195 1.00 0.42 C ATOM 98 C THR A 7 0.603 -9.078 3.113 1.00 0.37 C ATOM 99 O THR A 7 1.504 -8.321 2.768 1.00 0.39 O ATOM 100 CB THR A 7 0.106 -9.068 5.598 1.00 0.50 C ATOM 101 OG1 THR A 7 -1.001 -9.023 6.533 1.00 0.58 O ATOM 102 CG2 THR A 7 1.168 -8.079 6.062 1.00 0.54 C ATOM 0 H THR A 7 -1.865 -10.115 4.562 1.00 0.44 H new ATOM 0 HA THR A 7 -0.559 -7.603 4.182 1.00 0.42 H new ATOM 0 HB THR A 7 0.538 -10.068 5.554 1.00 0.50 H new ATOM 0 HG1 THR A 7 -0.684 -9.268 7.427 1.00 0.58 H new ATOM 0 HG21 THR A 7 1.523 -8.364 7.053 1.00 0.54 H new ATOM 0 HG22 THR A 7 2.003 -8.087 5.362 1.00 0.54 H new ATOM 0 HG23 THR A 7 0.739 -7.078 6.104 1.00 0.54 H new ATOM 110 N ASP A 8 0.382 -10.251 2.527 1.00 0.41 N ATOM 111 CA ASP A 8 1.207 -10.756 1.438 1.00 0.46 C ATOM 112 C ASP A 8 0.914 -10.010 0.178 1.00 0.42 C ATOM 113 O ASP A 8 1.828 -9.652 -0.561 1.00 0.47 O ATOM 114 CB ASP A 8 1.002 -12.256 1.210 1.00 0.62 C ATOM 115 CG ASP A 8 1.710 -13.118 2.221 1.00 1.41 C ATOM 116 OD1 ASP A 8 1.814 -12.727 3.404 1.00 1.98 O ATOM 117 OD2 ASP A 8 2.227 -14.183 1.845 1.00 2.01 O ATOM 0 H ASP A 8 -0.376 -10.878 2.796 1.00 0.41 H new ATOM 0 HA ASP A 8 2.248 -10.601 1.722 1.00 0.46 H new ATOM 0 HB2 ASP A 8 -0.065 -12.478 1.239 1.00 0.62 H new ATOM 0 HB3 ASP A 8 1.355 -12.516 0.212 1.00 0.62 H new ATOM 122 N ASP A 9 -0.366 -9.739 -0.048 1.00 0.41 N ATOM 123 CA ASP A 9 -0.800 -8.989 -1.230 1.00 0.46 C ATOM 124 C ASP A 9 -0.213 -7.601 -1.216 1.00 0.40 C ATOM 125 O ASP A 9 0.352 -7.141 -2.229 1.00 0.46 O ATOM 126 CB ASP A 9 -2.331 -8.887 -1.340 1.00 0.54 C ATOM 127 CG ASP A 9 -3.027 -10.199 -1.593 1.00 0.98 C ATOM 128 OD1 ASP A 9 -2.781 -10.811 -2.654 1.00 1.21 O ATOM 129 OD2 ASP A 9 -3.840 -10.636 -0.762 1.00 1.83 O ATOM 0 H ASP A 9 -1.125 -10.026 0.570 1.00 0.41 H new ATOM 0 HA ASP A 9 -0.439 -9.543 -2.097 1.00 0.46 H new ATOM 0 HB2 ASP A 9 -2.721 -8.455 -0.418 1.00 0.54 H new ATOM 0 HB3 ASP A 9 -2.580 -8.197 -2.146 1.00 0.54 H new ATOM 134 N LEU A 10 -0.318 -6.939 -0.060 1.00 0.36 N ATOM 135 CA LEU A 10 0.218 -5.593 0.109 1.00 0.35 C ATOM 136 C LEU A 10 1.734 -5.617 -0.036 1.00 0.33 C ATOM 137 O LEU A 10 2.306 -4.789 -0.738 1.00 0.36 O ATOM 138 CB LEU A 10 -0.189 -5.000 1.472 1.00 0.37 C ATOM 139 CG LEU A 10 0.268 -3.556 1.745 1.00 0.41 C ATOM 140 CD1 LEU A 10 -0.307 -2.593 0.716 1.00 0.51 C ATOM 141 CD2 LEU A 10 -0.127 -3.127 3.149 1.00 0.48 C ATOM 0 H LEU A 10 -0.771 -7.318 0.772 1.00 0.36 H new ATOM 0 HA LEU A 10 -0.202 -4.954 -0.668 1.00 0.35 H new ATOM 0 HB2 LEU A 10 -1.275 -5.037 1.552 1.00 0.37 H new ATOM 0 HB3 LEU A 10 0.210 -5.641 2.258 1.00 0.37 H new ATOM 0 HG LEU A 10 1.355 -3.529 1.664 1.00 0.41 H new ATOM 0 HD11 LEU A 10 0.033 -1.581 0.935 1.00 0.51 H new ATOM 0 HD12 LEU A 10 0.029 -2.881 -0.280 1.00 0.51 H new ATOM 0 HD13 LEU A 10 -1.396 -2.626 0.755 1.00 0.51 H new ATOM 0 HD21 LEU A 10 0.205 -2.103 3.324 1.00 0.48 H new ATOM 0 HD22 LEU A 10 -1.211 -3.180 3.254 1.00 0.48 H new ATOM 0 HD23 LEU A 10 0.341 -3.789 3.877 1.00 0.48 H new ATOM 153 N ARG A 11 2.365 -6.610 0.599 1.00 0.33 N ATOM 154 CA ARG A 11 3.811 -6.812 0.505 1.00 0.37 C ATOM 155 C ARG A 11 4.255 -6.949 -0.941 1.00 0.39 C ATOM 156 O ARG A 11 5.202 -6.303 -1.363 1.00 0.45 O ATOM 157 CB ARG A 11 4.257 -8.030 1.360 1.00 0.45 C ATOM 158 CG ARG A 11 5.678 -8.524 1.113 1.00 0.72 C ATOM 159 CD ARG A 11 6.149 -9.498 2.194 1.00 0.63 C ATOM 160 NE ARG A 11 5.189 -10.586 2.489 1.00 1.12 N ATOM 161 CZ ARG A 11 5.534 -11.829 2.888 1.00 1.36 C ATOM 162 NH1 ARG A 11 6.790 -12.235 2.806 1.00 1.47 N ATOM 163 NH2 ARG A 11 4.610 -12.678 3.325 1.00 2.27 N ATOM 0 H ARG A 11 1.889 -7.292 1.189 1.00 0.33 H new ATOM 0 HA ARG A 11 4.302 -5.928 0.910 1.00 0.37 H new ATOM 0 HB2 ARG A 11 4.161 -7.766 2.413 1.00 0.45 H new ATOM 0 HB3 ARG A 11 3.568 -8.854 1.174 1.00 0.45 H new ATOM 0 HG2 ARG A 11 5.726 -9.013 0.140 1.00 0.72 H new ATOM 0 HG3 ARG A 11 6.356 -7.671 1.075 1.00 0.72 H new ATOM 0 HD2 ARG A 11 7.096 -9.939 1.883 1.00 0.63 H new ATOM 0 HD3 ARG A 11 6.342 -8.941 3.111 1.00 0.63 H new ATOM 0 HE ARG A 11 4.195 -10.382 2.383 1.00 1.12 H new ATOM 0 HH11 ARG A 11 7.506 -11.608 2.439 1.00 1.47 H new ATOM 0 HH12 ARG A 11 7.043 -13.175 3.109 1.00 1.47 H new ATOM 0 HH21 ARG A 11 3.631 -12.393 3.361 1.00 2.27 H new ATOM 0 HH22 ARG A 11 4.879 -13.615 3.624 1.00 2.27 H new ATOM 177 N ARG A 12 3.541 -7.759 -1.705 1.00 0.40 N ATOM 178 CA ARG A 12 3.872 -7.953 -3.096 1.00 0.48 C ATOM 179 C ARG A 12 3.731 -6.696 -3.893 1.00 0.47 C ATOM 180 O ARG A 12 4.645 -6.326 -4.593 1.00 0.50 O ATOM 181 CB ARG A 12 3.060 -9.057 -3.748 1.00 0.56 C ATOM 182 CG ARG A 12 3.412 -10.447 -3.291 1.00 0.94 C ATOM 183 CD ARG A 12 4.910 -10.712 -3.389 1.00 1.18 C ATOM 184 NE ARG A 12 5.489 -10.327 -4.701 1.00 1.76 N ATOM 185 CZ ARG A 12 6.429 -11.019 -5.358 1.00 2.29 C ATOM 186 NH1 ARG A 12 6.819 -12.213 -4.906 1.00 2.31 N ATOM 187 NH2 ARG A 12 6.975 -10.519 -6.466 1.00 3.30 N ATOM 0 H ARG A 12 2.732 -8.289 -1.381 1.00 0.40 H new ATOM 0 HA ARG A 12 4.919 -8.255 -3.098 1.00 0.48 H new ATOM 0 HB2 ARG A 12 2.003 -8.880 -3.548 1.00 0.56 H new ATOM 0 HB3 ARG A 12 3.194 -8.999 -4.828 1.00 0.56 H new ATOM 0 HG2 ARG A 12 3.085 -10.585 -2.260 1.00 0.94 H new ATOM 0 HG3 ARG A 12 2.873 -11.176 -3.896 1.00 0.94 H new ATOM 0 HD2 ARG A 12 5.422 -10.163 -2.599 1.00 1.18 H new ATOM 0 HD3 ARG A 12 5.097 -11.771 -3.214 1.00 1.18 H new ATOM 0 HE ARG A 12 5.145 -9.470 -5.135 1.00 1.76 H new ATOM 0 HH11 ARG A 12 6.401 -12.599 -4.060 1.00 2.31 H new ATOM 0 HH12 ARG A 12 7.535 -12.739 -5.407 1.00 2.31 H new ATOM 0 HH21 ARG A 12 6.677 -9.608 -6.815 1.00 3.30 H new ATOM 0 HH22 ARG A 12 7.691 -11.047 -6.965 1.00 3.30 H new ATOM 201 N ALA A 13 2.600 -6.027 -3.748 1.00 0.47 N ATOM 202 CA ALA A 13 2.308 -4.819 -4.519 1.00 0.53 C ATOM 203 C ALA A 13 3.353 -3.745 -4.268 1.00 0.46 C ATOM 204 O ALA A 13 3.840 -3.113 -5.204 1.00 0.48 O ATOM 205 CB ALA A 13 0.912 -4.308 -4.204 1.00 0.63 C ATOM 0 H ALA A 13 1.861 -6.298 -3.100 1.00 0.47 H new ATOM 0 HA ALA A 13 2.345 -5.075 -5.578 1.00 0.53 H new ATOM 0 HB1 ALA A 13 0.713 -3.409 -4.787 1.00 0.63 H new ATOM 0 HB2 ALA A 13 0.179 -5.074 -4.457 1.00 0.63 H new ATOM 0 HB3 ALA A 13 0.841 -4.074 -3.142 1.00 0.63 H new ATOM 211 N LEU A 14 3.731 -3.604 -3.011 1.00 0.42 N ATOM 212 CA LEU A 14 4.716 -2.620 -2.593 1.00 0.39 C ATOM 213 C LEU A 14 6.079 -2.945 -3.255 1.00 0.40 C ATOM 214 O LEU A 14 6.780 -2.054 -3.768 1.00 0.46 O ATOM 215 CB LEU A 14 4.822 -2.637 -1.055 1.00 0.45 C ATOM 216 CG LEU A 14 5.438 -1.407 -0.382 1.00 0.54 C ATOM 217 CD1 LEU A 14 4.563 -0.169 -0.599 1.00 0.44 C ATOM 218 CD2 LEU A 14 5.638 -1.657 1.101 1.00 1.00 C ATOM 0 H LEU A 14 3.363 -4.171 -2.247 1.00 0.42 H new ATOM 0 HA LEU A 14 4.415 -1.621 -2.908 1.00 0.39 H new ATOM 0 HB2 LEU A 14 3.820 -2.778 -0.649 1.00 0.45 H new ATOM 0 HB3 LEU A 14 5.409 -3.509 -0.766 1.00 0.45 H new ATOM 0 HG LEU A 14 6.410 -1.223 -0.840 1.00 0.54 H new ATOM 0 HD11 LEU A 14 5.022 0.691 -0.111 1.00 0.44 H new ATOM 0 HD12 LEU A 14 4.468 0.027 -1.667 1.00 0.44 H new ATOM 0 HD13 LEU A 14 3.575 -0.343 -0.173 1.00 0.44 H new ATOM 0 HD21 LEU A 14 6.077 -0.773 1.563 1.00 1.00 H new ATOM 0 HD22 LEU A 14 4.676 -1.871 1.567 1.00 1.00 H new ATOM 0 HD23 LEU A 14 6.305 -2.508 1.240 1.00 1.00 H new ATOM 230 N VAL A 15 6.432 -4.227 -3.278 1.00 0.44 N ATOM 231 CA VAL A 15 7.674 -4.687 -3.913 1.00 0.53 C ATOM 232 C VAL A 15 7.610 -4.517 -5.445 1.00 0.55 C ATOM 233 O VAL A 15 8.603 -4.121 -6.071 1.00 0.64 O ATOM 234 CB VAL A 15 8.016 -6.170 -3.542 1.00 0.61 C ATOM 235 CG1 VAL A 15 9.248 -6.672 -4.294 1.00 0.74 C ATOM 236 CG2 VAL A 15 8.256 -6.293 -2.051 1.00 0.64 C ATOM 0 H VAL A 15 5.875 -4.974 -2.863 1.00 0.44 H new ATOM 0 HA VAL A 15 8.476 -4.059 -3.525 1.00 0.53 H new ATOM 0 HB VAL A 15 7.163 -6.783 -3.833 1.00 0.61 H new ATOM 0 HG11 VAL A 15 9.452 -7.704 -4.009 1.00 0.74 H new ATOM 0 HG12 VAL A 15 9.065 -6.621 -5.367 1.00 0.74 H new ATOM 0 HG13 VAL A 15 10.107 -6.049 -4.042 1.00 0.74 H new ATOM 0 HG21 VAL A 15 8.493 -7.328 -1.805 1.00 0.64 H new ATOM 0 HG22 VAL A 15 9.089 -5.652 -1.762 1.00 0.64 H new ATOM 0 HG23 VAL A 15 7.359 -5.988 -1.512 1.00 0.64 H new ATOM 246 N GLU A 16 6.449 -4.782 -6.038 1.00 0.59 N ATOM 247 CA GLU A 16 6.269 -4.639 -7.489 1.00 0.69 C ATOM 248 C GLU A 16 6.507 -3.192 -7.924 1.00 0.65 C ATOM 249 O GLU A 16 7.087 -2.935 -8.987 1.00 0.77 O ATOM 250 CB GLU A 16 4.866 -5.090 -7.943 1.00 0.89 C ATOM 251 CG GLU A 16 4.518 -6.536 -7.616 1.00 1.11 C ATOM 252 CD GLU A 16 5.498 -7.536 -8.175 1.00 1.54 C ATOM 253 OE1 GLU A 16 5.424 -7.845 -9.383 1.00 1.95 O ATOM 254 OE2 GLU A 16 6.370 -8.013 -7.429 1.00 2.18 O ATOM 0 H GLU A 16 5.616 -5.097 -5.541 1.00 0.59 H new ATOM 0 HA GLU A 16 7.005 -5.287 -7.965 1.00 0.69 H new ATOM 0 HB2 GLU A 16 4.124 -4.440 -7.480 1.00 0.89 H new ATOM 0 HB3 GLU A 16 4.786 -4.948 -9.021 1.00 0.89 H new ATOM 0 HG2 GLU A 16 4.470 -6.653 -6.533 1.00 1.11 H new ATOM 0 HG3 GLU A 16 3.524 -6.758 -8.005 1.00 1.11 H new ATOM 261 N SER A 17 6.062 -2.262 -7.111 1.00 0.59 N ATOM 262 CA SER A 17 6.249 -0.860 -7.382 1.00 0.64 C ATOM 263 C SER A 17 7.705 -0.425 -7.187 1.00 0.74 C ATOM 264 O SER A 17 8.217 0.394 -7.948 1.00 1.04 O ATOM 265 CB SER A 17 5.331 -0.064 -6.500 1.00 0.68 C ATOM 266 OG SER A 17 3.994 -0.476 -6.704 1.00 1.27 O ATOM 0 H SER A 17 5.561 -2.458 -6.245 1.00 0.59 H new ATOM 0 HA SER A 17 6.007 -0.675 -8.429 1.00 0.64 H new ATOM 0 HB2 SER A 17 5.608 -0.200 -5.455 1.00 0.68 H new ATOM 0 HB3 SER A 17 5.431 0.999 -6.720 1.00 0.68 H new ATOM 0 HG SER A 17 3.849 -0.655 -7.656 1.00 1.27 H new ATOM 272 N ALA A 18 8.372 -0.992 -6.199 1.00 0.70 N ATOM 273 CA ALA A 18 9.763 -0.644 -5.936 1.00 0.87 C ATOM 274 C ALA A 18 10.678 -1.231 -6.996 1.00 1.05 C ATOM 275 O ALA A 18 11.629 -0.587 -7.438 1.00 1.57 O ATOM 276 CB ALA A 18 10.188 -1.117 -4.558 1.00 0.95 C ATOM 0 H ALA A 18 7.980 -1.691 -5.568 1.00 0.70 H new ATOM 0 HA ALA A 18 9.846 0.442 -5.970 1.00 0.87 H new ATOM 0 HB1 ALA A 18 11.229 -0.846 -4.385 1.00 0.95 H new ATOM 0 HB2 ALA A 18 9.560 -0.646 -3.802 1.00 0.95 H new ATOM 0 HB3 ALA A 18 10.080 -2.200 -4.496 1.00 0.95 H new ATOM 400 N ASP A 29 6.919 -8.623 8.308 1.00 0.90 N ATOM 401 CA ASP A 29 6.275 -7.444 8.830 1.00 0.83 C ATOM 402 C ASP A 29 6.890 -6.188 8.266 1.00 0.79 C ATOM 403 O ASP A 29 8.106 -6.083 8.122 1.00 1.33 O ATOM 404 CB ASP A 29 6.295 -7.380 10.359 1.00 1.20 C ATOM 405 CG ASP A 29 5.807 -6.023 10.860 1.00 1.95 C ATOM 406 OD1 ASP A 29 4.619 -5.697 10.676 1.00 2.44 O ATOM 407 OD2 ASP A 29 6.607 -5.277 11.478 1.00 2.68 O ATOM 0 HA ASP A 29 5.234 -7.512 8.515 1.00 0.83 H new ATOM 0 HB2 ASP A 29 5.664 -8.170 10.767 1.00 1.20 H new ATOM 0 HB3 ASP A 29 7.307 -7.562 10.720 1.00 1.20 H new ATOM 412 N PHE A 30 6.038 -5.270 7.925 1.00 0.42 N ATOM 413 CA PHE A 30 6.387 -3.989 7.459 1.00 0.36 C ATOM 414 C PHE A 30 5.285 -3.042 7.863 1.00 0.32 C ATOM 415 O PHE A 30 5.242 -1.906 7.442 1.00 0.35 O ATOM 416 CB PHE A 30 6.577 -3.990 5.935 1.00 0.37 C ATOM 417 CG PHE A 30 5.353 -4.390 5.129 1.00 0.35 C ATOM 418 CD1 PHE A 30 4.965 -5.719 5.040 1.00 0.40 C ATOM 419 CD2 PHE A 30 4.610 -3.442 4.460 1.00 0.38 C ATOM 420 CE1 PHE A 30 3.860 -6.082 4.309 1.00 0.46 C ATOM 421 CE2 PHE A 30 3.502 -3.801 3.724 1.00 0.42 C ATOM 422 CZ PHE A 30 3.128 -5.122 3.651 1.00 0.46 C ATOM 0 H PHE A 30 5.030 -5.416 7.972 1.00 0.42 H new ATOM 0 HA PHE A 30 7.335 -3.675 7.895 1.00 0.36 H new ATOM 0 HB2 PHE A 30 6.887 -2.993 5.623 1.00 0.37 H new ATOM 0 HB3 PHE A 30 7.393 -4.669 5.687 1.00 0.37 H new ATOM 0 HD1 PHE A 30 5.539 -6.478 5.552 1.00 0.40 H new ATOM 0 HD2 PHE A 30 4.900 -2.403 4.513 1.00 0.38 H new ATOM 0 HE1 PHE A 30 3.567 -7.120 4.251 1.00 0.46 H new ATOM 0 HE2 PHE A 30 2.929 -3.047 3.206 1.00 0.42 H new ATOM 0 HZ PHE A 30 2.259 -5.406 3.076 1.00 0.46 H new ATOM 432 N LEU A 31 4.412 -3.509 8.746 1.00 0.35 N ATOM 433 CA LEU A 31 3.274 -2.729 9.137 1.00 0.36 C ATOM 434 C LEU A 31 3.656 -1.740 10.235 1.00 0.39 C ATOM 435 O LEU A 31 3.024 -0.709 10.398 1.00 0.46 O ATOM 436 CB LEU A 31 2.114 -3.631 9.561 1.00 0.40 C ATOM 437 CG LEU A 31 1.599 -4.608 8.485 1.00 0.39 C ATOM 438 CD1 LEU A 31 0.431 -5.411 9.015 1.00 0.45 C ATOM 439 CD2 LEU A 31 1.194 -3.866 7.219 1.00 0.38 C ATOM 0 H LEU A 31 4.480 -4.422 9.196 1.00 0.35 H new ATOM 0 HA LEU A 31 2.935 -2.152 8.277 1.00 0.36 H new ATOM 0 HB2 LEU A 31 2.426 -4.209 10.431 1.00 0.40 H new ATOM 0 HB3 LEU A 31 1.284 -3.000 9.879 1.00 0.40 H new ATOM 0 HG LEU A 31 2.412 -5.290 8.235 1.00 0.39 H new ATOM 0 HD11 LEU A 31 0.080 -6.095 8.243 1.00 0.45 H new ATOM 0 HD12 LEU A 31 0.748 -5.981 9.888 1.00 0.45 H new ATOM 0 HD13 LEU A 31 -0.377 -4.736 9.296 1.00 0.45 H new ATOM 0 HD21 LEU A 31 0.835 -4.580 6.478 1.00 0.38 H new ATOM 0 HD22 LEU A 31 0.401 -3.155 7.452 1.00 0.38 H new ATOM 0 HD23 LEU A 31 2.055 -3.331 6.820 1.00 0.38 H new ATOM 451 N ASP A 32 4.690 -2.071 10.995 1.00 0.43 N ATOM 452 CA ASP A 32 5.219 -1.130 11.993 1.00 0.52 C ATOM 453 C ASP A 32 6.380 -0.353 11.370 1.00 0.50 C ATOM 454 O ASP A 32 6.918 0.603 11.936 1.00 0.66 O ATOM 455 CB ASP A 32 5.658 -1.856 13.279 1.00 0.69 C ATOM 456 CG ASP A 32 6.139 -0.901 14.367 1.00 1.46 C ATOM 457 OD1 ASP A 32 5.299 -0.200 14.984 1.00 1.95 O ATOM 458 OD2 ASP A 32 7.358 -0.820 14.608 1.00 2.20 O ATOM 0 H ASP A 32 5.178 -2.966 10.948 1.00 0.43 H new ATOM 0 HA ASP A 32 4.431 -0.435 12.283 1.00 0.52 H new ATOM 0 HB2 ASP A 32 4.823 -2.443 13.661 1.00 0.69 H new ATOM 0 HB3 ASP A 32 6.457 -2.557 13.039 1.00 0.69 H new ATOM 463 N LEU A 33 6.727 -0.762 10.173 1.00 0.42 N ATOM 464 CA LEU A 33 7.780 -0.145 9.408 1.00 0.50 C ATOM 465 C LEU A 33 7.255 1.135 8.752 1.00 0.45 C ATOM 466 O LEU A 33 6.046 1.364 8.715 1.00 0.57 O ATOM 467 CB LEU A 33 8.311 -1.139 8.347 1.00 0.66 C ATOM 468 CG LEU A 33 9.074 -2.367 8.866 1.00 0.80 C ATOM 469 CD1 LEU A 33 9.690 -3.146 7.717 1.00 1.52 C ATOM 470 CD2 LEU A 33 10.143 -1.964 9.846 1.00 1.18 C ATOM 0 H LEU A 33 6.278 -1.545 9.697 1.00 0.42 H new ATOM 0 HA LEU A 33 8.607 0.120 10.067 1.00 0.50 H new ATOM 0 HB2 LEU A 33 7.464 -1.490 7.757 1.00 0.66 H new ATOM 0 HB3 LEU A 33 8.967 -0.593 7.669 1.00 0.66 H new ATOM 0 HG LEU A 33 8.358 -3.008 9.379 1.00 0.80 H new ATOM 0 HD11 LEU A 33 10.225 -4.011 8.109 1.00 1.52 H new ATOM 0 HD12 LEU A 33 8.903 -3.482 7.042 1.00 1.52 H new ATOM 0 HD13 LEU A 33 10.385 -2.505 7.174 1.00 1.52 H new ATOM 0 HD21 LEU A 33 10.668 -2.852 10.198 1.00 1.18 H new ATOM 0 HD22 LEU A 33 10.851 -1.294 9.357 1.00 1.18 H new ATOM 0 HD23 LEU A 33 9.686 -1.453 10.694 1.00 1.18 H new ATOM 482 N ARG A 34 8.141 1.968 8.276 1.00 0.43 N ATOM 483 CA ARG A 34 7.740 3.209 7.621 1.00 0.42 C ATOM 484 C ARG A 34 8.109 3.134 6.160 1.00 0.36 C ATOM 485 O ARG A 34 9.007 2.382 5.800 1.00 0.45 O ATOM 486 CB ARG A 34 8.430 4.415 8.255 1.00 0.58 C ATOM 487 CG ARG A 34 8.078 4.675 9.703 1.00 0.77 C ATOM 488 CD ARG A 34 8.908 5.831 10.258 1.00 1.08 C ATOM 489 NE ARG A 34 8.808 7.048 9.426 1.00 1.82 N ATOM 490 CZ ARG A 34 9.693 8.060 9.439 1.00 2.41 C ATOM 491 NH1 ARG A 34 10.601 8.127 10.404 1.00 2.43 N ATOM 492 NH2 ARG A 34 9.610 9.030 8.538 1.00 3.44 N ATOM 0 H ARG A 34 9.149 1.820 8.324 1.00 0.43 H new ATOM 0 HA ARG A 34 6.663 3.331 7.737 1.00 0.42 H new ATOM 0 HB2 ARG A 34 9.509 4.276 8.180 1.00 0.58 H new ATOM 0 HB3 ARG A 34 8.181 5.302 7.673 1.00 0.58 H new ATOM 0 HG2 ARG A 34 7.017 4.908 9.789 1.00 0.77 H new ATOM 0 HG3 ARG A 34 8.256 3.776 10.293 1.00 0.77 H new ATOM 0 HD2 ARG A 34 8.577 6.059 11.271 1.00 1.08 H new ATOM 0 HD3 ARG A 34 9.952 5.525 10.325 1.00 1.08 H new ATOM 0 HE ARG A 34 8.010 7.126 8.796 1.00 1.82 H new ATOM 0 HH11 ARG A 34 10.626 7.413 11.132 1.00 2.43 H new ATOM 0 HH12 ARG A 34 11.275 8.893 10.418 1.00 2.43 H new ATOM 0 HH21 ARG A 34 8.873 9.009 7.833 1.00 3.44 H new ATOM 0 HH22 ARG A 34 10.283 9.796 8.550 1.00 3.44 H new ATOM 506 N PHE A 35 7.459 3.931 5.330 1.00 0.33 N ATOM 507 CA PHE A 35 7.723 3.917 3.896 1.00 0.33 C ATOM 508 C PHE A 35 9.106 4.487 3.610 1.00 0.38 C ATOM 509 O PHE A 35 9.898 3.907 2.879 1.00 0.43 O ATOM 510 CB PHE A 35 6.670 4.727 3.135 1.00 0.34 C ATOM 511 CG PHE A 35 5.266 4.222 3.286 1.00 0.36 C ATOM 512 CD1 PHE A 35 4.858 3.070 2.637 1.00 0.43 C ATOM 513 CD2 PHE A 35 4.351 4.904 4.069 1.00 0.40 C ATOM 514 CE1 PHE A 35 3.567 2.609 2.769 1.00 0.50 C ATOM 515 CE2 PHE A 35 3.062 4.447 4.203 1.00 0.48 C ATOM 516 CZ PHE A 35 2.668 3.305 3.555 1.00 0.51 C ATOM 0 H PHE A 35 6.744 4.597 5.621 1.00 0.33 H new ATOM 0 HA PHE A 35 7.678 2.882 3.557 1.00 0.33 H new ATOM 0 HB2 PHE A 35 6.709 5.761 3.477 1.00 0.34 H new ATOM 0 HB3 PHE A 35 6.929 4.731 2.076 1.00 0.34 H new ATOM 0 HD1 PHE A 35 5.559 2.527 2.021 1.00 0.43 H new ATOM 0 HD2 PHE A 35 4.654 5.806 4.581 1.00 0.40 H new ATOM 0 HE1 PHE A 35 3.258 1.708 2.261 1.00 0.50 H new ATOM 0 HE2 PHE A 35 2.359 4.988 4.819 1.00 0.48 H new ATOM 0 HZ PHE A 35 1.654 2.949 3.659 1.00 0.51 H new ATOM 526 N GLU A 36 9.394 5.604 4.230 1.00 0.48 N ATOM 527 CA GLU A 36 10.661 6.283 4.067 1.00 0.62 C ATOM 528 C GLU A 36 11.774 5.445 4.688 1.00 0.63 C ATOM 529 O GLU A 36 12.902 5.428 4.211 1.00 0.72 O ATOM 530 CB GLU A 36 10.634 7.673 4.738 1.00 0.83 C ATOM 531 CG GLU A 36 9.354 8.482 4.514 1.00 1.40 C ATOM 532 CD GLU A 36 8.281 8.193 5.561 1.00 1.83 C ATOM 533 OE1 GLU A 36 7.689 7.107 5.509 1.00 2.73 O ATOM 534 OE2 GLU A 36 7.972 9.065 6.399 1.00 1.89 O ATOM 0 H GLU A 36 8.752 6.074 4.868 1.00 0.48 H new ATOM 0 HA GLU A 36 10.844 6.415 3.001 1.00 0.62 H new ATOM 0 HB2 GLU A 36 10.779 7.544 5.810 1.00 0.83 H new ATOM 0 HB3 GLU A 36 11.480 8.253 4.369 1.00 0.83 H new ATOM 0 HG2 GLU A 36 9.594 9.545 4.530 1.00 1.40 H new ATOM 0 HG3 GLU A 36 8.958 8.260 3.523 1.00 1.40 H new ATOM 541 N ASP A 37 11.406 4.721 5.731 1.00 0.61 N ATOM 542 CA ASP A 37 12.314 3.850 6.485 1.00 0.70 C ATOM 543 C ASP A 37 12.789 2.687 5.620 1.00 0.69 C ATOM 544 O ASP A 37 13.930 2.258 5.712 1.00 0.82 O ATOM 545 CB ASP A 37 11.579 3.359 7.737 1.00 0.77 C ATOM 546 CG ASP A 37 12.310 2.343 8.576 1.00 0.98 C ATOM 547 OD1 ASP A 37 13.474 2.581 8.974 1.00 1.27 O ATOM 548 OD2 ASP A 37 11.707 1.292 8.872 1.00 1.36 O ATOM 0 H ASP A 37 10.451 4.717 6.090 1.00 0.61 H new ATOM 0 HA ASP A 37 13.204 4.403 6.784 1.00 0.70 H new ATOM 0 HB2 ASP A 37 11.352 4.222 8.363 1.00 0.77 H new ATOM 0 HB3 ASP A 37 10.626 2.929 7.429 1.00 0.77 H new ATOM 553 N ILE A 38 11.920 2.216 4.739 1.00 0.59 N ATOM 554 CA ILE A 38 12.276 1.136 3.823 1.00 0.63 C ATOM 555 C ILE A 38 12.728 1.669 2.447 1.00 0.63 C ATOM 556 O ILE A 38 12.793 0.939 1.466 1.00 0.66 O ATOM 557 CB ILE A 38 11.170 0.053 3.683 1.00 0.59 C ATOM 558 CG1 ILE A 38 9.828 0.683 3.262 1.00 0.48 C ATOM 559 CG2 ILE A 38 11.033 -0.730 4.986 1.00 0.67 C ATOM 560 CD1 ILE A 38 8.684 -0.302 3.115 1.00 0.54 C ATOM 0 H ILE A 38 10.966 2.561 4.637 1.00 0.59 H new ATOM 0 HA ILE A 38 13.130 0.636 4.280 1.00 0.63 H new ATOM 0 HB ILE A 38 11.462 -0.642 2.896 1.00 0.59 H new ATOM 0 HG12 ILE A 38 9.549 1.436 3.999 1.00 0.48 H new ATOM 0 HG13 ILE A 38 9.967 1.201 2.313 1.00 0.48 H new ATOM 0 HG21 ILE A 38 10.255 -1.486 4.876 1.00 0.67 H new ATOM 0 HG22 ILE A 38 11.980 -1.215 5.220 1.00 0.67 H new ATOM 0 HG23 ILE A 38 10.765 -0.049 5.794 1.00 0.67 H new ATOM 0 HD11 ILE A 38 7.781 0.231 2.817 1.00 0.54 H new ATOM 0 HD12 ILE A 38 8.936 -1.042 2.356 1.00 0.54 H new ATOM 0 HD13 ILE A 38 8.511 -0.804 4.067 1.00 0.54 H new ATOM 572 N GLY A 39 13.094 2.944 2.415 1.00 0.63 N ATOM 573 CA GLY A 39 13.634 3.551 1.205 1.00 0.68 C ATOM 574 C GLY A 39 12.631 3.715 0.074 1.00 0.59 C ATOM 575 O GLY A 39 12.972 3.532 -1.105 1.00 0.70 O ATOM 0 H GLY A 39 13.027 3.577 3.212 1.00 0.63 H new ATOM 0 HA2 GLY A 39 14.041 4.531 1.457 1.00 0.68 H new ATOM 0 HA3 GLY A 39 14.466 2.942 0.850 1.00 0.68 H new ATOM 579 N TYR A 40 11.414 4.045 0.405 1.00 0.45 N ATOM 580 CA TYR A 40 10.407 4.281 -0.601 1.00 0.45 C ATOM 581 C TYR A 40 10.202 5.738 -0.857 1.00 0.47 C ATOM 582 O TYR A 40 10.089 6.544 0.073 1.00 0.62 O ATOM 583 CB TYR A 40 9.073 3.637 -0.247 1.00 0.42 C ATOM 584 CG TYR A 40 8.958 2.188 -0.612 1.00 0.46 C ATOM 585 CD1 TYR A 40 9.867 1.242 -0.156 1.00 0.53 C ATOM 586 CD2 TYR A 40 7.933 1.769 -1.433 1.00 0.57 C ATOM 587 CE1 TYR A 40 9.751 -0.084 -0.505 1.00 0.60 C ATOM 588 CE2 TYR A 40 7.807 0.457 -1.787 1.00 0.68 C ATOM 589 CZ TYR A 40 8.716 -0.474 -1.319 1.00 0.67 C ATOM 590 OH TYR A 40 8.585 -1.794 -1.675 1.00 0.78 O ATOM 0 H TYR A 40 11.091 4.158 1.366 1.00 0.45 H new ATOM 0 HA TYR A 40 10.785 3.814 -1.511 1.00 0.45 H new ATOM 0 HB2 TYR A 40 8.909 3.741 0.825 1.00 0.42 H new ATOM 0 HB3 TYR A 40 8.276 4.187 -0.747 1.00 0.42 H new ATOM 0 HD1 TYR A 40 10.680 1.553 0.484 1.00 0.53 H new ATOM 0 HD2 TYR A 40 7.219 2.490 -1.802 1.00 0.57 H new ATOM 0 HE1 TYR A 40 10.465 -0.809 -0.143 1.00 0.60 H new ATOM 0 HE2 TYR A 40 6.998 0.146 -2.432 1.00 0.68 H new ATOM 0 HH TYR A 40 8.229 -1.853 -2.586 1.00 0.78 H new ATOM 600 N ASP A 41 10.203 6.091 -2.113 1.00 0.55 N ATOM 601 CA ASP A 41 9.859 7.431 -2.502 1.00 0.69 C ATOM 602 C ASP A 41 8.374 7.444 -2.735 1.00 0.85 C ATOM 603 O ASP A 41 7.735 6.372 -2.770 1.00 1.62 O ATOM 604 CB ASP A 41 10.561 7.877 -3.794 1.00 0.82 C ATOM 605 CG ASP A 41 12.066 7.745 -3.765 1.00 0.99 C ATOM 606 OD1 ASP A 41 12.732 8.534 -3.059 1.00 1.27 O ATOM 607 OD2 ASP A 41 12.615 6.848 -4.434 1.00 1.32 O ATOM 0 H ASP A 41 10.439 5.468 -2.886 1.00 0.55 H new ATOM 0 HA ASP A 41 10.175 8.117 -1.716 1.00 0.69 H new ATOM 0 HB2 ASP A 41 10.173 7.289 -4.625 1.00 0.82 H new ATOM 0 HB3 ASP A 41 10.304 8.917 -3.992 1.00 0.82 H new ATOM 612 N SER A 42 7.821 8.600 -2.953 1.00 0.50 N ATOM 613 CA SER A 42 6.398 8.733 -3.153 1.00 0.53 C ATOM 614 C SER A 42 5.922 8.054 -4.435 1.00 0.51 C ATOM 615 O SER A 42 4.817 7.546 -4.486 1.00 0.48 O ATOM 616 CB SER A 42 5.976 10.196 -3.085 1.00 0.69 C ATOM 617 OG SER A 42 7.130 11.079 -3.319 1.00 1.05 O ATOM 0 H SER A 42 8.337 9.479 -2.998 1.00 0.50 H new ATOM 0 HA SER A 42 5.904 8.207 -2.336 1.00 0.53 H new ATOM 0 HB2 SER A 42 5.204 10.392 -3.829 1.00 0.69 H new ATOM 0 HB3 SER A 42 5.540 10.409 -2.109 1.00 0.69 H new ATOM 0 HG SER A 42 6.841 12.014 -3.274 1.00 1.05 H new ATOM 622 N LEU A 43 6.772 8.052 -5.453 1.00 0.57 N ATOM 623 CA LEU A 43 6.464 7.414 -6.720 1.00 0.62 C ATOM 624 C LEU A 43 6.168 5.943 -6.518 1.00 0.56 C ATOM 625 O LEU A 43 5.124 5.460 -6.924 1.00 0.58 O ATOM 626 CB LEU A 43 7.609 7.596 -7.717 1.00 0.74 C ATOM 627 CG LEU A 43 7.411 6.961 -9.099 1.00 0.86 C ATOM 628 CD1 LEU A 43 6.167 7.505 -9.776 1.00 1.40 C ATOM 629 CD2 LEU A 43 8.626 7.201 -9.967 1.00 1.19 C ATOM 0 H LEU A 43 7.692 8.492 -5.421 1.00 0.57 H new ATOM 0 HA LEU A 43 5.576 7.893 -7.131 1.00 0.62 H new ATOM 0 HB2 LEU A 43 7.779 8.664 -7.852 1.00 0.74 H new ATOM 0 HB3 LEU A 43 8.516 7.182 -7.276 1.00 0.74 H new ATOM 0 HG LEU A 43 7.281 5.887 -8.962 1.00 0.86 H new ATOM 0 HD11 LEU A 43 6.051 7.038 -10.754 1.00 1.40 H new ATOM 0 HD12 LEU A 43 5.293 7.285 -9.163 1.00 1.40 H new ATOM 0 HD13 LEU A 43 6.262 8.584 -9.898 1.00 1.40 H new ATOM 0 HD21 LEU A 43 8.471 6.745 -10.945 1.00 1.19 H new ATOM 0 HD22 LEU A 43 8.781 8.273 -10.088 1.00 1.19 H new ATOM 0 HD23 LEU A 43 9.503 6.758 -9.495 1.00 1.19 H new ATOM 641 N ALA A 44 7.068 5.264 -5.836 1.00 0.54 N ATOM 642 CA ALA A 44 6.920 3.837 -5.572 1.00 0.54 C ATOM 643 C ALA A 44 5.716 3.593 -4.673 1.00 0.47 C ATOM 644 O ALA A 44 4.955 2.666 -4.880 1.00 0.53 O ATOM 645 CB ALA A 44 8.191 3.287 -4.932 1.00 0.59 C ATOM 0 H ALA A 44 7.917 5.676 -5.450 1.00 0.54 H new ATOM 0 HA ALA A 44 6.757 3.316 -6.516 1.00 0.54 H new ATOM 0 HB1 ALA A 44 8.069 2.221 -4.739 1.00 0.59 H new ATOM 0 HB2 ALA A 44 9.034 3.440 -5.606 1.00 0.59 H new ATOM 0 HB3 ALA A 44 8.379 3.806 -3.992 1.00 0.59 H new ATOM 651 N LEU A 45 5.537 4.477 -3.718 1.00 0.42 N ATOM 652 CA LEU A 45 4.457 4.379 -2.760 1.00 0.38 C ATOM 653 C LEU A 45 3.088 4.535 -3.475 1.00 0.37 C ATOM 654 O LEU A 45 2.202 3.681 -3.333 1.00 0.39 O ATOM 655 CB LEU A 45 4.669 5.461 -1.679 1.00 0.35 C ATOM 656 CG LEU A 45 3.944 5.311 -0.331 1.00 0.37 C ATOM 657 CD1 LEU A 45 4.442 6.366 0.617 1.00 0.38 C ATOM 658 CD2 LEU A 45 2.439 5.422 -0.466 1.00 0.53 C ATOM 0 H LEU A 45 6.139 5.289 -3.582 1.00 0.42 H new ATOM 0 HA LEU A 45 4.455 3.399 -2.283 1.00 0.38 H new ATOM 0 HB2 LEU A 45 5.738 5.519 -1.475 1.00 0.35 H new ATOM 0 HB3 LEU A 45 4.374 6.419 -2.108 1.00 0.35 H new ATOM 0 HG LEU A 45 4.162 4.314 0.052 1.00 0.37 H new ATOM 0 HD11 LEU A 45 3.932 6.265 1.575 1.00 0.38 H new ATOM 0 HD12 LEU A 45 5.515 6.246 0.763 1.00 0.38 H new ATOM 0 HD13 LEU A 45 4.241 7.353 0.201 1.00 0.38 H new ATOM 0 HD21 LEU A 45 1.976 5.309 0.514 1.00 0.53 H new ATOM 0 HD22 LEU A 45 2.182 6.398 -0.878 1.00 0.53 H new ATOM 0 HD23 LEU A 45 2.075 4.639 -1.131 1.00 0.53 H new ATOM 670 N MET A 46 2.928 5.600 -4.258 1.00 0.37 N ATOM 671 CA MET A 46 1.659 5.838 -4.944 1.00 0.40 C ATOM 672 C MET A 46 1.410 4.832 -6.068 1.00 0.35 C ATOM 673 O MET A 46 0.266 4.564 -6.428 1.00 0.36 O ATOM 674 CB MET A 46 1.540 7.287 -5.435 1.00 0.52 C ATOM 675 CG MET A 46 1.470 8.301 -4.298 1.00 0.70 C ATOM 676 SD MET A 46 1.291 10.003 -4.860 1.00 0.96 S ATOM 677 CE MET A 46 1.196 10.867 -3.291 1.00 2.41 C ATOM 0 H MET A 46 3.648 6.302 -4.432 1.00 0.37 H new ATOM 0 HA MET A 46 0.870 5.683 -4.208 1.00 0.40 H new ATOM 0 HB2 MET A 46 2.395 7.520 -6.070 1.00 0.52 H new ATOM 0 HB3 MET A 46 0.648 7.382 -6.054 1.00 0.52 H new ATOM 0 HG2 MET A 46 0.630 8.051 -3.650 1.00 0.70 H new ATOM 0 HG3 MET A 46 2.374 8.220 -3.694 1.00 0.70 H new ATOM 0 HE1 MET A 46 1.083 11.936 -3.471 1.00 2.41 H new ATOM 0 HE2 MET A 46 0.339 10.502 -2.726 1.00 2.41 H new ATOM 0 HE3 MET A 46 2.108 10.689 -2.722 1.00 2.41 H new ATOM 687 N GLU A 47 2.482 4.244 -6.582 1.00 0.37 N ATOM 688 CA GLU A 47 2.389 3.227 -7.629 1.00 0.39 C ATOM 689 C GLU A 47 1.658 1.997 -7.033 1.00 0.37 C ATOM 690 O GLU A 47 0.737 1.445 -7.639 1.00 0.43 O ATOM 691 CB GLU A 47 3.824 2.870 -8.099 1.00 0.48 C ATOM 692 CG GLU A 47 3.969 2.276 -9.511 1.00 0.68 C ATOM 693 CD GLU A 47 3.289 0.949 -9.706 1.00 1.41 C ATOM 694 OE1 GLU A 47 3.870 -0.084 -9.349 1.00 1.84 O ATOM 695 OE2 GLU A 47 2.154 0.907 -10.208 1.00 2.15 O ATOM 0 H GLU A 47 3.436 4.454 -6.289 1.00 0.37 H new ATOM 0 HA GLU A 47 1.829 3.583 -8.494 1.00 0.39 H new ATOM 0 HB2 GLU A 47 4.432 3.773 -8.047 1.00 0.48 H new ATOM 0 HB3 GLU A 47 4.247 2.160 -7.388 1.00 0.48 H new ATOM 0 HG2 GLU A 47 3.565 2.986 -10.233 1.00 0.68 H new ATOM 0 HG3 GLU A 47 5.030 2.162 -9.736 1.00 0.68 H new ATOM 702 N THR A 48 2.040 1.635 -5.810 1.00 0.36 N ATOM 703 CA THR A 48 1.423 0.537 -5.079 1.00 0.39 C ATOM 704 C THR A 48 -0.071 0.806 -4.857 1.00 0.35 C ATOM 705 O THR A 48 -0.918 -0.089 -5.029 1.00 0.40 O ATOM 706 CB THR A 48 2.134 0.359 -3.727 1.00 0.43 C ATOM 707 OG1 THR A 48 3.514 0.094 -3.964 1.00 0.51 O ATOM 708 CG2 THR A 48 1.529 -0.781 -2.918 1.00 0.51 C ATOM 0 H THR A 48 2.790 2.099 -5.298 1.00 0.36 H new ATOM 0 HA THR A 48 1.522 -0.377 -5.665 1.00 0.39 H new ATOM 0 HB THR A 48 2.012 1.276 -3.151 1.00 0.43 H new ATOM 0 HG1 THR A 48 3.631 -0.239 -4.878 1.00 0.51 H new ATOM 0 HG21 THR A 48 2.058 -0.875 -1.970 1.00 0.51 H new ATOM 0 HG22 THR A 48 0.476 -0.573 -2.727 1.00 0.51 H new ATOM 0 HG23 THR A 48 1.619 -1.712 -3.478 1.00 0.51 H new ATOM 716 N ALA A 49 -0.390 2.033 -4.491 1.00 0.31 N ATOM 717 CA ALA A 49 -1.764 2.438 -4.265 1.00 0.32 C ATOM 718 C ALA A 49 -2.591 2.276 -5.540 1.00 0.30 C ATOM 719 O ALA A 49 -3.696 1.728 -5.507 1.00 0.32 O ATOM 720 CB ALA A 49 -1.807 3.862 -3.778 1.00 0.38 C ATOM 0 H ALA A 49 0.294 2.775 -4.342 1.00 0.31 H new ATOM 0 HA ALA A 49 -2.198 1.794 -3.500 1.00 0.32 H new ATOM 0 HB1 ALA A 49 -2.843 4.158 -3.611 1.00 0.38 H new ATOM 0 HB2 ALA A 49 -1.251 3.944 -2.844 1.00 0.38 H new ATOM 0 HB3 ALA A 49 -1.359 4.516 -4.526 1.00 0.38 H new ATOM 726 N ALA A 50 -2.015 2.694 -6.666 1.00 0.29 N ATOM 727 CA ALA A 50 -2.666 2.596 -7.970 1.00 0.31 C ATOM 728 C ALA A 50 -2.986 1.139 -8.327 1.00 0.31 C ATOM 729 O ALA A 50 -4.011 0.848 -8.962 1.00 0.35 O ATOM 730 CB ALA A 50 -1.796 3.228 -9.050 1.00 0.39 C ATOM 0 H ALA A 50 -1.084 3.110 -6.699 1.00 0.29 H new ATOM 0 HA ALA A 50 -3.608 3.142 -7.913 1.00 0.31 H new ATOM 0 HB1 ALA A 50 -2.297 3.146 -10.015 1.00 0.39 H new ATOM 0 HB2 ALA A 50 -1.631 4.280 -8.815 1.00 0.39 H new ATOM 0 HB3 ALA A 50 -0.837 2.711 -9.094 1.00 0.39 H new ATOM 736 N ARG A 51 -2.110 0.227 -7.905 1.00 0.32 N ATOM 737 CA ARG A 51 -2.309 -1.211 -8.115 1.00 0.38 C ATOM 738 C ARG A 51 -3.559 -1.661 -7.394 1.00 0.37 C ATOM 739 O ARG A 51 -4.417 -2.336 -7.958 1.00 0.47 O ATOM 740 CB ARG A 51 -1.145 -2.016 -7.533 1.00 0.49 C ATOM 741 CG ARG A 51 0.214 -1.702 -8.095 1.00 0.97 C ATOM 742 CD ARG A 51 0.326 -2.066 -9.553 1.00 0.98 C ATOM 743 NE ARG A 51 1.667 -1.819 -10.022 1.00 1.92 N ATOM 744 CZ ARG A 51 2.452 -2.695 -10.634 1.00 2.31 C ATOM 745 NH1 ARG A 51 1.992 -3.897 -10.989 1.00 2.05 N ATOM 746 NH2 ARG A 51 3.705 -2.356 -10.877 1.00 3.40 N ATOM 0 H ARG A 51 -1.248 0.459 -7.411 1.00 0.32 H new ATOM 0 HA ARG A 51 -2.383 -1.379 -9.189 1.00 0.38 H new ATOM 0 HB2 ARG A 51 -1.118 -1.853 -6.456 1.00 0.49 H new ATOM 0 HB3 ARG A 51 -1.346 -3.076 -7.690 1.00 0.49 H new ATOM 0 HG2 ARG A 51 0.420 -0.639 -7.971 1.00 0.97 H new ATOM 0 HG3 ARG A 51 0.973 -2.242 -7.528 1.00 0.97 H new ATOM 0 HD2 ARG A 51 0.070 -3.116 -9.695 1.00 0.98 H new ATOM 0 HD3 ARG A 51 -0.386 -1.483 -10.137 1.00 0.98 H new ATOM 0 HE ARG A 51 2.047 -0.885 -9.869 1.00 1.92 H new ATOM 0 HH11 ARG A 51 1.025 -4.152 -10.790 1.00 2.05 H new ATOM 0 HH12 ARG A 51 2.608 -4.560 -11.459 1.00 2.05 H new ATOM 0 HH21 ARG A 51 4.049 -1.438 -10.595 1.00 3.40 H new ATOM 0 HH22 ARG A 51 4.329 -3.012 -11.347 1.00 3.40 H new ATOM 760 N LEU A 52 -3.658 -1.242 -6.148 1.00 0.32 N ATOM 761 CA LEU A 52 -4.731 -1.653 -5.265 1.00 0.34 C ATOM 762 C LEU A 52 -6.073 -1.119 -5.733 1.00 0.33 C ATOM 763 O LEU A 52 -7.065 -1.863 -5.770 1.00 0.40 O ATOM 764 CB LEU A 52 -4.443 -1.215 -3.825 1.00 0.35 C ATOM 765 CG LEU A 52 -3.108 -1.686 -3.242 1.00 0.38 C ATOM 766 CD1 LEU A 52 -2.953 -1.220 -1.805 1.00 0.43 C ATOM 767 CD2 LEU A 52 -2.965 -3.201 -3.347 1.00 0.39 C ATOM 0 H LEU A 52 -2.991 -0.602 -5.717 1.00 0.32 H new ATOM 0 HA LEU A 52 -4.784 -2.741 -5.291 1.00 0.34 H new ATOM 0 HB2 LEU A 52 -4.473 -0.126 -3.783 1.00 0.35 H new ATOM 0 HB3 LEU A 52 -5.247 -1.581 -3.186 1.00 0.35 H new ATOM 0 HG LEU A 52 -2.307 -1.238 -3.830 1.00 0.38 H new ATOM 0 HD11 LEU A 52 -1.997 -1.566 -1.411 1.00 0.43 H new ATOM 0 HD12 LEU A 52 -2.987 -0.131 -1.770 1.00 0.43 H new ATOM 0 HD13 LEU A 52 -3.763 -1.628 -1.201 1.00 0.43 H new ATOM 0 HD21 LEU A 52 -2.007 -3.506 -2.925 1.00 0.39 H new ATOM 0 HD22 LEU A 52 -3.774 -3.682 -2.797 1.00 0.39 H new ATOM 0 HD23 LEU A 52 -3.012 -3.499 -4.394 1.00 0.39 H new ATOM 779 N GLU A 53 -6.098 0.155 -6.112 1.00 0.28 N ATOM 780 CA GLU A 53 -7.320 0.790 -6.585 1.00 0.29 C ATOM 781 C GLU A 53 -7.870 0.075 -7.802 1.00 0.31 C ATOM 782 O GLU A 53 -9.020 -0.323 -7.814 1.00 0.35 O ATOM 783 CB GLU A 53 -7.094 2.255 -6.951 1.00 0.29 C ATOM 784 CG GLU A 53 -6.635 3.159 -5.833 1.00 0.35 C ATOM 785 CD GLU A 53 -6.531 4.585 -6.308 1.00 0.41 C ATOM 786 OE1 GLU A 53 -5.559 4.918 -7.007 1.00 0.53 O ATOM 787 OE2 GLU A 53 -7.453 5.390 -6.024 1.00 0.51 O ATOM 0 H GLU A 53 -5.283 0.768 -6.100 1.00 0.28 H new ATOM 0 HA GLU A 53 -8.034 0.731 -5.763 1.00 0.29 H new ATOM 0 HB2 GLU A 53 -6.355 2.298 -7.751 1.00 0.29 H new ATOM 0 HB3 GLU A 53 -8.024 2.655 -7.354 1.00 0.29 H new ATOM 0 HG2 GLU A 53 -7.335 3.099 -5.000 1.00 0.35 H new ATOM 0 HG3 GLU A 53 -5.667 2.823 -5.461 1.00 0.35 H new ATOM 794 N SER A 54 -7.041 -0.113 -8.797 1.00 0.35 N ATOM 795 CA SER A 54 -7.479 -0.709 -10.034 1.00 0.43 C ATOM 796 C SER A 54 -7.867 -2.191 -9.865 1.00 0.47 C ATOM 797 O SER A 54 -8.952 -2.609 -10.293 1.00 0.61 O ATOM 798 CB SER A 54 -6.400 -0.515 -11.098 1.00 0.49 C ATOM 799 OG SER A 54 -5.135 -0.964 -10.624 1.00 1.16 O ATOM 0 H SER A 54 -6.053 0.140 -8.774 1.00 0.35 H new ATOM 0 HA SER A 54 -8.388 -0.204 -10.360 1.00 0.43 H new ATOM 0 HB2 SER A 54 -6.670 -1.063 -12.001 1.00 0.49 H new ATOM 0 HB3 SER A 54 -6.338 0.538 -11.371 1.00 0.49 H new ATOM 0 HG SER A 54 -4.688 -0.235 -10.145 1.00 1.16 H new ATOM 805 N ARG A 55 -7.012 -2.950 -9.178 1.00 0.40 N ATOM 806 CA ARG A 55 -7.200 -4.387 -8.998 1.00 0.46 C ATOM 807 C ARG A 55 -8.461 -4.712 -8.210 1.00 0.47 C ATOM 808 O ARG A 55 -9.279 -5.523 -8.649 1.00 0.57 O ATOM 809 CB ARG A 55 -5.983 -5.002 -8.303 1.00 0.50 C ATOM 810 CG ARG A 55 -6.036 -6.518 -8.139 1.00 0.61 C ATOM 811 CD ARG A 55 -4.808 -7.036 -7.399 1.00 0.75 C ATOM 812 NE ARG A 55 -3.554 -6.671 -8.079 1.00 1.28 N ATOM 813 CZ ARG A 55 -2.322 -6.835 -7.577 1.00 1.65 C ATOM 814 NH1 ARG A 55 -2.151 -7.454 -6.407 1.00 1.46 N ATOM 815 NH2 ARG A 55 -1.257 -6.416 -8.262 1.00 2.65 N ATOM 0 H ARG A 55 -6.171 -2.584 -8.732 1.00 0.40 H new ATOM 0 HA ARG A 55 -7.312 -4.819 -9.992 1.00 0.46 H new ATOM 0 HB2 ARG A 55 -5.089 -4.743 -8.871 1.00 0.50 H new ATOM 0 HB3 ARG A 55 -5.877 -4.548 -7.318 1.00 0.50 H new ATOM 0 HG2 ARG A 55 -6.937 -6.796 -7.592 1.00 0.61 H new ATOM 0 HG3 ARG A 55 -6.099 -6.990 -9.119 1.00 0.61 H new ATOM 0 HD2 ARG A 55 -4.800 -6.634 -6.386 1.00 0.75 H new ATOM 0 HD3 ARG A 55 -4.869 -8.121 -7.311 1.00 0.75 H new ATOM 0 HE ARG A 55 -3.629 -6.259 -9.009 1.00 1.28 H new ATOM 0 HH11 ARG A 55 -2.959 -7.804 -5.892 1.00 1.46 H new ATOM 0 HH12 ARG A 55 -1.212 -7.577 -6.028 1.00 1.46 H new ATOM 0 HH21 ARG A 55 -1.379 -5.969 -9.171 1.00 2.65 H new ATOM 0 HH22 ARG A 55 -0.321 -6.542 -7.877 1.00 2.65 H new ATOM 829 N TYR A 56 -8.631 -4.070 -7.073 1.00 0.42 N ATOM 830 CA TYR A 56 -9.747 -4.376 -6.190 1.00 0.47 C ATOM 831 C TYR A 56 -10.967 -3.528 -6.500 1.00 0.50 C ATOM 832 O TYR A 56 -12.054 -3.793 -6.011 1.00 0.67 O ATOM 833 CB TYR A 56 -9.327 -4.239 -4.720 1.00 0.52 C ATOM 834 CG TYR A 56 -8.215 -5.192 -4.329 1.00 0.53 C ATOM 835 CD1 TYR A 56 -8.490 -6.494 -3.928 1.00 0.62 C ATOM 836 CD2 TYR A 56 -6.889 -4.778 -4.331 1.00 0.59 C ATOM 837 CE1 TYR A 56 -7.481 -7.350 -3.543 1.00 0.70 C ATOM 838 CE2 TYR A 56 -5.873 -5.633 -3.953 1.00 0.65 C ATOM 839 CZ TYR A 56 -6.176 -6.960 -3.666 1.00 0.67 C ATOM 840 OH TYR A 56 -5.176 -7.769 -3.164 1.00 0.79 O ATOM 0 H TYR A 56 -8.013 -3.332 -6.735 1.00 0.42 H new ATOM 0 HA TYR A 56 -10.033 -5.413 -6.367 1.00 0.47 H new ATOM 0 HB2 TYR A 56 -9.002 -3.215 -4.535 1.00 0.52 H new ATOM 0 HB3 TYR A 56 -10.193 -4.419 -4.083 1.00 0.52 H new ATOM 0 HD1 TYR A 56 -9.513 -6.841 -3.918 1.00 0.62 H new ATOM 0 HD2 TYR A 56 -6.649 -3.770 -4.634 1.00 0.59 H new ATOM 0 HE1 TYR A 56 -7.720 -8.325 -3.146 1.00 0.70 H new ATOM 0 HE2 TYR A 56 -4.856 -5.276 -3.881 1.00 0.65 H new ATOM 0 HH TYR A 56 -4.304 -7.353 -3.331 1.00 0.79 H new ATOM 850 N GLY A 57 -10.776 -2.523 -7.319 1.00 0.41 N ATOM 851 CA GLY A 57 -11.867 -1.674 -7.717 1.00 0.45 C ATOM 852 C GLY A 57 -12.203 -0.639 -6.674 1.00 0.46 C ATOM 853 O GLY A 57 -13.362 -0.510 -6.265 1.00 0.61 O ATOM 0 H GLY A 57 -9.873 -2.274 -7.723 1.00 0.41 H new ATOM 0 HA2 GLY A 57 -11.612 -1.174 -8.651 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -12.747 -2.287 -7.913 1.00 0.45 H new ATOM 857 N VAL A 58 -11.217 0.103 -6.241 1.00 0.38 N ATOM 858 CA VAL A 58 -11.447 1.121 -5.250 1.00 0.42 C ATOM 859 C VAL A 58 -11.052 2.480 -5.799 1.00 0.45 C ATOM 860 O VAL A 58 -10.652 2.592 -6.955 1.00 0.51 O ATOM 861 CB VAL A 58 -10.742 0.845 -3.867 1.00 0.42 C ATOM 862 CG1 VAL A 58 -10.894 -0.589 -3.456 1.00 0.59 C ATOM 863 CG2 VAL A 58 -9.269 1.244 -3.816 1.00 0.57 C ATOM 0 H VAL A 58 -10.251 0.022 -6.558 1.00 0.38 H new ATOM 0 HA VAL A 58 -12.516 1.105 -5.037 1.00 0.42 H new ATOM 0 HB VAL A 58 -11.260 1.492 -3.159 1.00 0.42 H new ATOM 0 HG11 VAL A 58 -10.397 -0.748 -2.499 1.00 0.59 H new ATOM 0 HG12 VAL A 58 -11.953 -0.830 -3.360 1.00 0.59 H new ATOM 0 HG13 VAL A 58 -10.442 -1.233 -4.210 1.00 0.59 H new ATOM 0 HG21 VAL A 58 -8.865 1.019 -2.829 1.00 0.57 H new ATOM 0 HG22 VAL A 58 -8.715 0.686 -4.571 1.00 0.57 H new ATOM 0 HG23 VAL A 58 -9.174 2.312 -4.012 1.00 0.57 H new ATOM 873 N SER A 59 -11.189 3.501 -5.008 1.00 0.51 N ATOM 874 CA SER A 59 -10.782 4.831 -5.372 1.00 0.61 C ATOM 875 C SER A 59 -10.395 5.556 -4.102 1.00 0.56 C ATOM 876 O SER A 59 -11.208 5.681 -3.189 1.00 0.63 O ATOM 877 CB SER A 59 -11.924 5.553 -6.104 1.00 0.84 C ATOM 878 OG SER A 59 -12.301 4.815 -7.280 1.00 1.59 O ATOM 0 H SER A 59 -11.594 3.435 -4.074 1.00 0.51 H new ATOM 0 HA SER A 59 -9.931 4.804 -6.053 1.00 0.61 H new ATOM 0 HB2 SER A 59 -12.782 5.659 -5.441 1.00 0.84 H new ATOM 0 HB3 SER A 59 -11.610 6.559 -6.382 1.00 0.84 H new ATOM 0 HG SER A 59 -13.030 5.282 -7.739 1.00 1.59 H new ATOM 884 N ILE A 60 -9.163 5.945 -4.007 1.00 0.50 N ATOM 885 CA ILE A 60 -8.676 6.615 -2.833 1.00 0.48 C ATOM 886 C ILE A 60 -8.554 8.098 -3.123 1.00 0.53 C ATOM 887 O ILE A 60 -7.718 8.497 -3.934 1.00 0.63 O ATOM 888 CB ILE A 60 -7.287 6.080 -2.413 1.00 0.48 C ATOM 889 CG1 ILE A 60 -7.313 4.554 -2.290 1.00 0.64 C ATOM 890 CG2 ILE A 60 -6.868 6.709 -1.082 1.00 0.53 C ATOM 891 CD1 ILE A 60 -5.952 3.937 -2.056 1.00 0.75 C ATOM 0 H ILE A 60 -8.464 5.810 -4.737 1.00 0.50 H new ATOM 0 HA ILE A 60 -9.380 6.432 -2.022 1.00 0.48 H new ATOM 0 HB ILE A 60 -6.562 6.351 -3.180 1.00 0.48 H new ATOM 0 HG12 ILE A 60 -7.974 4.276 -1.469 1.00 0.64 H new ATOM 0 HG13 ILE A 60 -7.741 4.133 -3.200 1.00 0.64 H new ATOM 0 HG21 ILE A 60 -5.889 6.328 -0.792 1.00 0.53 H new ATOM 0 HG22 ILE A 60 -6.818 7.792 -1.191 1.00 0.53 H new ATOM 0 HG23 ILE A 60 -7.598 6.455 -0.314 1.00 0.53 H new ATOM 0 HD11 ILE A 60 -6.052 2.854 -1.980 1.00 0.75 H new ATOM 0 HD12 ILE A 60 -5.293 4.183 -2.889 1.00 0.75 H new ATOM 0 HD13 ILE A 60 -5.529 4.329 -1.131 1.00 0.75 H new ATOM 903 N PRO A 61 -9.407 8.930 -2.514 1.00 0.65 N ATOM 904 CA PRO A 61 -9.338 10.375 -2.682 1.00 0.77 C ATOM 905 C PRO A 61 -7.966 10.920 -2.272 1.00 0.65 C ATOM 906 O PRO A 61 -7.363 10.452 -1.295 1.00 0.57 O ATOM 907 CB PRO A 61 -10.432 10.902 -1.747 1.00 0.97 C ATOM 908 CG PRO A 61 -11.376 9.764 -1.607 1.00 1.08 C ATOM 909 CD PRO A 61 -10.524 8.533 -1.643 1.00 0.83 C ATOM 0 HA PRO A 61 -9.478 10.681 -3.719 1.00 0.77 H new ATOM 0 HB2 PRO A 61 -10.021 11.199 -0.782 1.00 0.97 H new ATOM 0 HB3 PRO A 61 -10.925 11.779 -2.167 1.00 0.97 H new ATOM 0 HG2 PRO A 61 -11.933 9.829 -0.672 1.00 1.08 H new ATOM 0 HG3 PRO A 61 -12.108 9.759 -2.415 1.00 1.08 H new ATOM 0 HD2 PRO A 61 -10.180 8.251 -0.648 1.00 0.83 H new ATOM 0 HD3 PRO A 61 -11.067 7.678 -2.047 1.00 0.83 H new ATOM 917 N ASP A 62 -7.498 11.891 -3.025 1.00 0.74 N ATOM 918 CA ASP A 62 -6.190 12.551 -2.843 1.00 0.73 C ATOM 919 C ASP A 62 -5.985 13.020 -1.382 1.00 0.62 C ATOM 920 O ASP A 62 -4.890 12.894 -0.821 1.00 0.64 O ATOM 921 CB ASP A 62 -6.097 13.733 -3.824 1.00 0.93 C ATOM 922 CG ASP A 62 -4.742 14.407 -3.865 1.00 1.44 C ATOM 923 OD1 ASP A 62 -4.465 15.278 -3.013 1.00 1.92 O ATOM 924 OD2 ASP A 62 -3.952 14.113 -4.786 1.00 2.07 O ATOM 0 H ASP A 62 -8.024 12.268 -3.813 1.00 0.74 H new ATOM 0 HA ASP A 62 -5.395 11.835 -3.053 1.00 0.73 H new ATOM 0 HB2 ASP A 62 -6.343 13.379 -4.825 1.00 0.93 H new ATOM 0 HB3 ASP A 62 -6.850 14.474 -3.554 1.00 0.93 H new ATOM 929 N ASP A 63 -7.053 13.524 -0.765 1.00 0.63 N ATOM 930 CA ASP A 63 -7.036 13.922 0.663 1.00 0.61 C ATOM 931 C ASP A 63 -6.769 12.730 1.575 1.00 0.59 C ATOM 932 O ASP A 63 -5.930 12.788 2.472 1.00 0.64 O ATOM 933 CB ASP A 63 -8.365 14.589 1.075 1.00 0.77 C ATOM 934 CG ASP A 63 -8.569 14.627 2.593 1.00 1.36 C ATOM 935 OD1 ASP A 63 -7.965 15.461 3.283 1.00 2.00 O ATOM 936 OD2 ASP A 63 -9.348 13.799 3.114 1.00 2.10 O ATOM 0 H ASP A 63 -7.951 13.671 -1.225 1.00 0.63 H new ATOM 0 HA ASP A 63 -6.225 14.641 0.777 1.00 0.61 H new ATOM 0 HB2 ASP A 63 -8.391 15.606 0.685 1.00 0.77 H new ATOM 0 HB3 ASP A 63 -9.194 14.050 0.616 1.00 0.77 H new ATOM 941 N VAL A 64 -7.439 11.630 1.297 1.00 0.62 N ATOM 942 CA VAL A 64 -7.366 10.429 2.128 1.00 0.69 C ATOM 943 C VAL A 64 -6.002 9.741 1.963 1.00 0.67 C ATOM 944 O VAL A 64 -5.539 9.007 2.838 1.00 0.78 O ATOM 945 CB VAL A 64 -8.533 9.445 1.798 1.00 0.82 C ATOM 946 CG1 VAL A 64 -8.542 8.238 2.712 1.00 0.98 C ATOM 947 CG2 VAL A 64 -9.867 10.163 1.876 1.00 0.90 C ATOM 0 H VAL A 64 -8.053 11.536 0.488 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.472 10.730 3.170 1.00 0.69 H new ATOM 0 HB VAL A 64 -8.371 9.086 0.782 1.00 0.82 H new ATOM 0 HG11 VAL A 64 -9.371 7.584 2.443 1.00 0.98 H new ATOM 0 HG12 VAL A 64 -7.603 7.695 2.607 1.00 0.98 H new ATOM 0 HG13 VAL A 64 -8.658 8.565 3.745 1.00 0.98 H new ATOM 0 HG21 VAL A 64 -10.670 9.464 1.643 1.00 0.90 H new ATOM 0 HG22 VAL A 64 -10.009 10.558 2.882 1.00 0.90 H new ATOM 0 HG23 VAL A 64 -9.881 10.984 1.159 1.00 0.90 H new ATOM 957 N ALA A 65 -5.343 10.052 0.865 1.00 0.61 N ATOM 958 CA ALA A 65 -4.018 9.546 0.575 1.00 0.67 C ATOM 959 C ALA A 65 -3.005 10.094 1.563 1.00 0.64 C ATOM 960 O ALA A 65 -2.098 9.394 1.989 1.00 0.74 O ATOM 961 CB ALA A 65 -3.620 9.921 -0.834 1.00 0.77 C ATOM 0 H ALA A 65 -5.716 10.669 0.143 1.00 0.61 H new ATOM 0 HA ALA A 65 -4.036 8.460 0.667 1.00 0.67 H new ATOM 0 HB1 ALA A 65 -2.622 9.537 -1.045 1.00 0.77 H new ATOM 0 HB2 ALA A 65 -4.331 9.491 -1.540 1.00 0.77 H new ATOM 0 HB3 ALA A 65 -3.620 11.006 -0.935 1.00 0.77 H new ATOM 967 N GLY A 66 -3.209 11.327 1.988 1.00 0.58 N ATOM 968 CA GLY A 66 -2.278 11.960 2.896 1.00 0.66 C ATOM 969 C GLY A 66 -2.635 11.705 4.343 1.00 0.68 C ATOM 970 O GLY A 66 -2.234 12.457 5.237 1.00 0.86 O ATOM 0 H GLY A 66 -4.006 11.905 1.720 1.00 0.58 H new ATOM 0 HA2 GLY A 66 -1.272 11.589 2.700 1.00 0.66 H new ATOM 0 HA3 GLY A 66 -2.264 13.034 2.710 1.00 0.66 H new ATOM 974 N ARG A 67 -3.387 10.651 4.581 1.00 0.64 N ATOM 975 CA ARG A 67 -3.818 10.321 5.920 1.00 0.79 C ATOM 976 C ARG A 67 -3.079 9.107 6.477 1.00 0.77 C ATOM 977 O ARG A 67 -3.320 8.691 7.620 1.00 0.95 O ATOM 978 CB ARG A 67 -5.331 10.119 5.984 1.00 0.94 C ATOM 979 CG ARG A 67 -6.129 11.350 5.588 1.00 1.12 C ATOM 980 CD ARG A 67 -7.608 11.130 5.790 1.00 1.40 C ATOM 981 NE ARG A 67 -8.398 12.303 5.405 1.00 1.89 N ATOM 982 CZ ARG A 67 -9.160 13.018 6.231 1.00 2.51 C ATOM 983 NH1 ARG A 67 -9.130 12.802 7.541 1.00 2.93 N ATOM 984 NH2 ARG A 67 -9.906 13.985 5.742 1.00 3.22 N ATOM 0 H ARG A 67 -3.713 10.007 3.860 1.00 0.64 H new ATOM 0 HA ARG A 67 -3.565 11.172 6.553 1.00 0.79 H new ATOM 0 HB2 ARG A 67 -5.606 9.292 5.329 1.00 0.94 H new ATOM 0 HB3 ARG A 67 -5.607 9.828 6.998 1.00 0.94 H new ATOM 0 HG2 ARG A 67 -5.802 12.205 6.180 1.00 1.12 H new ATOM 0 HG3 ARG A 67 -5.934 11.592 4.543 1.00 1.12 H new ATOM 0 HD2 ARG A 67 -7.929 10.269 5.204 1.00 1.40 H new ATOM 0 HD3 ARG A 67 -7.799 10.892 6.837 1.00 1.40 H new ATOM 0 HE ARG A 67 -8.361 12.595 4.428 1.00 1.89 H new ATOM 0 HH11 ARG A 67 -8.518 12.082 7.925 1.00 2.93 H new ATOM 0 HH12 ARG A 67 -9.718 13.356 8.163 1.00 2.93 H new ATOM 0 HH21 ARG A 67 -9.896 14.180 4.741 1.00 3.22 H new ATOM 0 HH22 ARG A 67 -10.494 14.540 6.364 1.00 3.22 H new ATOM 998 N VAL A 68 -2.175 8.556 5.694 1.00 0.62 N ATOM 999 CA VAL A 68 -1.399 7.414 6.144 1.00 0.66 C ATOM 1000 C VAL A 68 -0.032 7.850 6.671 1.00 0.67 C ATOM 1001 O VAL A 68 0.274 9.050 6.685 1.00 1.00 O ATOM 1002 CB VAL A 68 -1.241 6.310 5.058 1.00 0.68 C ATOM 1003 CG1 VAL A 68 -2.581 5.671 4.750 1.00 0.77 C ATOM 1004 CG2 VAL A 68 -0.625 6.880 3.779 1.00 0.64 C ATOM 0 H VAL A 68 -1.959 8.875 4.750 1.00 0.62 H new ATOM 0 HA VAL A 68 -1.967 6.968 6.960 1.00 0.66 H new ATOM 0 HB VAL A 68 -0.569 5.548 5.452 1.00 0.68 H new ATOM 0 HG11 VAL A 68 -2.451 4.902 3.989 1.00 0.77 H new ATOM 0 HG12 VAL A 68 -2.986 5.220 5.656 1.00 0.77 H new ATOM 0 HG13 VAL A 68 -3.271 6.431 4.383 1.00 0.77 H new ATOM 0 HG21 VAL A 68 -0.526 6.087 3.038 1.00 0.64 H new ATOM 0 HG22 VAL A 68 -1.268 7.667 3.385 1.00 0.64 H new ATOM 0 HG23 VAL A 68 0.359 7.293 4.002 1.00 0.64 H new ATOM 1014 N ASP A 69 0.773 6.893 7.082 1.00 0.54 N ATOM 1015 CA ASP A 69 2.133 7.144 7.573 1.00 0.64 C ATOM 1016 C ASP A 69 2.894 5.840 7.550 1.00 0.50 C ATOM 1017 O ASP A 69 4.056 5.778 7.144 1.00 0.54 O ATOM 1018 CB ASP A 69 2.114 7.724 8.999 1.00 0.99 C ATOM 1019 CG ASP A 69 3.488 8.034 9.545 1.00 1.11 C ATOM 1020 OD1 ASP A 69 4.104 9.043 9.122 1.00 1.37 O ATOM 1021 OD2 ASP A 69 3.997 7.243 10.369 1.00 1.84 O ATOM 0 H ASP A 69 0.510 5.907 7.089 1.00 0.54 H new ATOM 0 HA ASP A 69 2.618 7.878 6.930 1.00 0.64 H new ATOM 0 HB2 ASP A 69 1.516 8.636 9.003 1.00 0.99 H new ATOM 0 HB3 ASP A 69 1.620 7.016 9.664 1.00 0.99 H new ATOM 1026 N THR A 70 2.229 4.796 7.991 1.00 0.43 N ATOM 1027 CA THR A 70 2.754 3.459 7.949 1.00 0.37 C ATOM 1028 C THR A 70 1.868 2.567 7.054 1.00 0.33 C ATOM 1029 O THR A 70 0.676 2.875 6.829 1.00 0.34 O ATOM 1030 CB THR A 70 2.819 2.838 9.369 1.00 0.42 C ATOM 1031 OG1 THR A 70 1.522 2.861 9.983 1.00 0.51 O ATOM 1032 CG2 THR A 70 3.815 3.572 10.246 1.00 0.44 C ATOM 0 H THR A 70 1.294 4.858 8.394 1.00 0.43 H new ATOM 0 HA THR A 70 3.763 3.513 7.539 1.00 0.37 H new ATOM 0 HB THR A 70 3.150 1.805 9.265 1.00 0.42 H new ATOM 0 HG1 THR A 70 1.139 3.760 9.905 1.00 0.51 H new ATOM 0 HG21 THR A 70 3.837 3.113 11.234 1.00 0.44 H new ATOM 0 HG22 THR A 70 4.807 3.515 9.797 1.00 0.44 H new ATOM 0 HG23 THR A 70 3.518 4.617 10.338 1.00 0.44 H new ATOM 1040 N PRO A 71 2.431 1.465 6.511 1.00 0.32 N ATOM 1041 CA PRO A 71 1.688 0.482 5.694 1.00 0.31 C ATOM 1042 C PRO A 71 0.516 -0.163 6.443 1.00 0.29 C ATOM 1043 O PRO A 71 -0.419 -0.667 5.828 1.00 0.33 O ATOM 1044 CB PRO A 71 2.745 -0.584 5.403 1.00 0.34 C ATOM 1045 CG PRO A 71 4.025 0.157 5.449 1.00 0.38 C ATOM 1046 CD PRO A 71 3.863 1.118 6.579 1.00 0.36 C ATOM 0 HA PRO A 71 1.244 0.950 4.815 1.00 0.31 H new ATOM 0 HB2 PRO A 71 2.720 -1.383 6.144 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.587 -1.047 4.429 1.00 0.34 H new ATOM 0 HG2 PRO A 71 4.866 -0.515 5.618 1.00 0.38 H new ATOM 0 HG3 PRO A 71 4.216 0.677 4.510 1.00 0.38 H new ATOM 0 HD2 PRO A 71 4.124 0.665 7.535 1.00 0.36 H new ATOM 0 HD3 PRO A 71 4.498 1.996 6.458 1.00 0.36 H new ATOM 1054 N ARG A 72 0.571 -0.134 7.764 1.00 0.30 N ATOM 1055 CA ARG A 72 -0.462 -0.741 8.604 1.00 0.34 C ATOM 1056 C ARG A 72 -1.764 0.020 8.426 1.00 0.36 C ATOM 1057 O ARG A 72 -2.842 -0.573 8.282 1.00 0.43 O ATOM 1058 CB ARG A 72 -0.010 -0.698 10.061 1.00 0.41 C ATOM 1059 CG ARG A 72 -0.827 -1.534 11.023 1.00 0.54 C ATOM 1060 CD ARG A 72 -0.201 -1.499 12.409 1.00 0.69 C ATOM 1061 NE ARG A 72 -0.284 -0.171 13.041 1.00 0.75 N ATOM 1062 CZ ARG A 72 0.756 0.620 13.387 1.00 0.98 C ATOM 1063 NH1 ARG A 72 1.991 0.395 12.916 1.00 1.38 N ATOM 1064 NH2 ARG A 72 0.531 1.684 14.135 1.00 1.16 N ATOM 0 H ARG A 72 1.327 0.307 8.288 1.00 0.30 H new ATOM 0 HA ARG A 72 -0.621 -1.780 8.314 1.00 0.34 H new ATOM 0 HB2 ARG A 72 1.028 -1.028 10.111 1.00 0.41 H new ATOM 0 HB3 ARG A 72 -0.031 0.338 10.399 1.00 0.41 H new ATOM 0 HG2 ARG A 72 -1.849 -1.157 11.067 1.00 0.54 H new ATOM 0 HG3 ARG A 72 -0.882 -2.563 10.666 1.00 0.54 H new ATOM 0 HD2 ARG A 72 -0.698 -2.231 13.046 1.00 0.69 H new ATOM 0 HD3 ARG A 72 0.845 -1.797 12.338 1.00 0.69 H new ATOM 0 HE ARG A 72 -1.219 0.187 13.237 1.00 0.75 H new ATOM 0 HH11 ARG A 72 2.161 -0.386 12.283 1.00 1.38 H new ATOM 0 HH12 ARG A 72 2.761 1.005 13.191 1.00 1.38 H new ATOM 0 HH21 ARG A 72 -0.417 1.899 14.443 1.00 1.16 H new ATOM 0 HH22 ARG A 72 1.305 2.291 14.405 1.00 1.16 H new ATOM 1078 N GLU A 73 -1.636 1.328 8.384 1.00 0.37 N ATOM 1079 CA GLU A 73 -2.754 2.228 8.203 1.00 0.42 C ATOM 1080 C GLU A 73 -3.240 2.142 6.768 1.00 0.40 C ATOM 1081 O GLU A 73 -4.428 2.194 6.510 1.00 0.44 O ATOM 1082 CB GLU A 73 -2.294 3.640 8.524 1.00 0.50 C ATOM 1083 CG GLU A 73 -1.750 3.771 9.929 1.00 0.63 C ATOM 1084 CD GLU A 73 -0.957 5.021 10.124 1.00 0.74 C ATOM 1085 OE1 GLU A 73 0.123 5.158 9.534 1.00 0.69 O ATOM 1086 OE2 GLU A 73 -1.440 5.905 10.838 1.00 1.33 O ATOM 0 H GLU A 73 -0.738 1.804 8.476 1.00 0.37 H new ATOM 0 HA GLU A 73 -3.575 1.956 8.866 1.00 0.42 H new ATOM 0 HB2 GLU A 73 -1.525 3.938 7.812 1.00 0.50 H new ATOM 0 HB3 GLU A 73 -3.130 4.328 8.397 1.00 0.50 H new ATOM 0 HG2 GLU A 73 -2.578 3.756 10.638 1.00 0.63 H new ATOM 0 HG3 GLU A 73 -1.123 2.908 10.154 1.00 0.63 H new ATOM 1093 N LEU A 74 -2.294 1.981 5.836 1.00 0.40 N ATOM 1094 CA LEU A 74 -2.612 1.842 4.411 1.00 0.43 C ATOM 1095 C LEU A 74 -3.481 0.584 4.224 1.00 0.41 C ATOM 1096 O LEU A 74 -4.545 0.637 3.591 1.00 0.42 O ATOM 1097 CB LEU A 74 -1.288 1.743 3.591 1.00 0.44 C ATOM 1098 CG LEU A 74 -1.342 2.041 2.058 1.00 0.50 C ATOM 1099 CD1 LEU A 74 0.044 1.960 1.449 1.00 1.04 C ATOM 1100 CD2 LEU A 74 -2.278 1.113 1.311 1.00 1.10 C ATOM 0 H LEU A 74 -1.296 1.944 6.045 1.00 0.40 H new ATOM 0 HA LEU A 74 -3.166 2.710 4.052 1.00 0.43 H new ATOM 0 HB2 LEU A 74 -0.568 2.429 4.038 1.00 0.44 H new ATOM 0 HB3 LEU A 74 -0.891 0.736 3.720 1.00 0.44 H new ATOM 0 HG LEU A 74 -1.733 3.053 1.956 1.00 0.50 H new ATOM 0 HD11 LEU A 74 -0.015 2.171 0.381 1.00 1.04 H new ATOM 0 HD12 LEU A 74 0.695 2.691 1.928 1.00 1.04 H new ATOM 0 HD13 LEU A 74 0.450 0.960 1.600 1.00 1.04 H new ATOM 0 HD21 LEU A 74 -2.274 1.368 0.251 1.00 1.10 H new ATOM 0 HD22 LEU A 74 -1.946 0.082 1.438 1.00 1.10 H new ATOM 0 HD23 LEU A 74 -3.288 1.220 1.706 1.00 1.10 H new ATOM 1112 N LEU A 75 -3.033 -0.529 4.816 1.00 0.41 N ATOM 1113 CA LEU A 75 -3.746 -1.805 4.754 1.00 0.41 C ATOM 1114 C LEU A 75 -5.174 -1.636 5.276 1.00 0.39 C ATOM 1115 O LEU A 75 -6.145 -2.018 4.602 1.00 0.37 O ATOM 1116 CB LEU A 75 -3.015 -2.864 5.603 1.00 0.46 C ATOM 1117 CG LEU A 75 -3.594 -4.292 5.579 1.00 0.48 C ATOM 1118 CD1 LEU A 75 -3.392 -4.945 4.218 1.00 0.51 C ATOM 1119 CD2 LEU A 75 -2.974 -5.138 6.677 1.00 0.54 C ATOM 0 H LEU A 75 -2.166 -0.568 5.351 1.00 0.41 H new ATOM 0 HA LEU A 75 -3.777 -2.134 3.715 1.00 0.41 H new ATOM 0 HB2 LEU A 75 -1.979 -2.912 5.269 1.00 0.46 H new ATOM 0 HB3 LEU A 75 -3.001 -2.520 6.637 1.00 0.46 H new ATOM 0 HG LEU A 75 -4.667 -4.223 5.760 1.00 0.48 H new ATOM 0 HD11 LEU A 75 -3.811 -5.951 4.232 1.00 0.51 H new ATOM 0 HD12 LEU A 75 -3.894 -4.353 3.452 1.00 0.51 H new ATOM 0 HD13 LEU A 75 -2.326 -4.998 3.995 1.00 0.51 H new ATOM 0 HD21 LEU A 75 -3.395 -6.143 6.644 1.00 0.54 H new ATOM 0 HD22 LEU A 75 -1.895 -5.192 6.530 1.00 0.54 H new ATOM 0 HD23 LEU A 75 -3.186 -4.688 7.647 1.00 0.54 H new ATOM 1131 N ASP A 76 -5.287 -1.006 6.442 1.00 0.44 N ATOM 1132 CA ASP A 76 -6.575 -0.798 7.105 1.00 0.48 C ATOM 1133 C ASP A 76 -7.486 0.089 6.284 1.00 0.40 C ATOM 1134 O ASP A 76 -8.665 -0.214 6.112 1.00 0.44 O ATOM 1135 CB ASP A 76 -6.386 -0.197 8.495 1.00 0.66 C ATOM 1136 CG ASP A 76 -7.703 0.011 9.216 1.00 1.06 C ATOM 1137 OD1 ASP A 76 -8.310 -0.974 9.653 1.00 1.08 O ATOM 1138 OD2 ASP A 76 -8.149 1.181 9.355 1.00 1.89 O ATOM 0 H ASP A 76 -4.492 -0.625 6.955 1.00 0.44 H new ATOM 0 HA ASP A 76 -7.045 -1.777 7.204 1.00 0.48 H new ATOM 0 HB2 ASP A 76 -5.749 -0.853 9.088 1.00 0.66 H new ATOM 0 HB3 ASP A 76 -5.867 0.758 8.408 1.00 0.66 H new ATOM 1143 N LEU A 77 -6.921 1.162 5.753 1.00 0.37 N ATOM 1144 CA LEU A 77 -7.642 2.120 4.933 1.00 0.38 C ATOM 1145 C LEU A 77 -8.300 1.427 3.736 1.00 0.33 C ATOM 1146 O LEU A 77 -9.485 1.643 3.454 1.00 0.34 O ATOM 1147 CB LEU A 77 -6.677 3.213 4.449 1.00 0.46 C ATOM 1148 CG LEU A 77 -7.290 4.361 3.663 1.00 0.57 C ATOM 1149 CD1 LEU A 77 -8.262 5.120 4.536 1.00 1.37 C ATOM 1150 CD2 LEU A 77 -6.196 5.283 3.138 1.00 1.24 C ATOM 0 H LEU A 77 -5.936 1.394 5.882 1.00 0.37 H new ATOM 0 HA LEU A 77 -8.429 2.574 5.536 1.00 0.38 H new ATOM 0 HB2 LEU A 77 -6.169 3.629 5.319 1.00 0.46 H new ATOM 0 HB3 LEU A 77 -5.914 2.744 3.828 1.00 0.46 H new ATOM 0 HG LEU A 77 -7.834 3.960 2.808 1.00 0.57 H new ATOM 0 HD11 LEU A 77 -8.698 5.941 3.967 1.00 1.37 H new ATOM 0 HD12 LEU A 77 -9.054 4.448 4.868 1.00 1.37 H new ATOM 0 HD13 LEU A 77 -7.737 5.519 5.404 1.00 1.37 H new ATOM 0 HD21 LEU A 77 -6.648 6.101 2.577 1.00 1.24 H new ATOM 0 HD22 LEU A 77 -5.628 5.688 3.976 1.00 1.24 H new ATOM 0 HD23 LEU A 77 -5.528 4.721 2.485 1.00 1.24 H new ATOM 1162 N ILE A 78 -7.540 0.559 3.072 1.00 0.31 N ATOM 1163 CA ILE A 78 -8.050 -0.174 1.927 1.00 0.32 C ATOM 1164 C ILE A 78 -9.133 -1.128 2.401 1.00 0.29 C ATOM 1165 O ILE A 78 -10.252 -1.094 1.900 1.00 0.33 O ATOM 1166 CB ILE A 78 -6.935 -0.994 1.205 1.00 0.39 C ATOM 1167 CG1 ILE A 78 -5.791 -0.085 0.734 1.00 0.53 C ATOM 1168 CG2 ILE A 78 -7.518 -1.749 0.009 1.00 0.44 C ATOM 1169 CD1 ILE A 78 -6.200 0.968 -0.276 1.00 0.63 C ATOM 0 H ILE A 78 -6.571 0.350 3.311 1.00 0.31 H new ATOM 0 HA ILE A 78 -8.444 0.550 1.214 1.00 0.32 H new ATOM 0 HB ILE A 78 -6.534 -1.709 1.923 1.00 0.39 H new ATOM 0 HG12 ILE A 78 -5.357 0.411 1.602 1.00 0.53 H new ATOM 0 HG13 ILE A 78 -5.008 -0.705 0.297 1.00 0.53 H new ATOM 0 HG21 ILE A 78 -6.728 -2.316 -0.484 1.00 0.44 H new ATOM 0 HG22 ILE A 78 -8.294 -2.432 0.353 1.00 0.44 H new ATOM 0 HG23 ILE A 78 -7.948 -1.037 -0.696 1.00 0.44 H new ATOM 0 HD11 ILE A 78 -5.330 1.564 -0.553 1.00 0.63 H new ATOM 0 HD12 ILE A 78 -6.605 0.483 -1.164 1.00 0.63 H new ATOM 0 HD13 ILE A 78 -6.960 1.616 0.161 1.00 0.63 H new ATOM 1181 N ASN A 79 -8.785 -1.952 3.397 1.00 0.30 N ATOM 1182 CA ASN A 79 -9.701 -2.959 3.969 1.00 0.33 C ATOM 1183 C ASN A 79 -11.033 -2.340 4.380 1.00 0.37 C ATOM 1184 O ASN A 79 -12.107 -2.911 4.126 1.00 0.46 O ATOM 1185 CB ASN A 79 -9.062 -3.671 5.185 1.00 0.42 C ATOM 1186 CG ASN A 79 -8.020 -4.756 4.851 1.00 0.53 C ATOM 1187 OD1 ASN A 79 -7.334 -4.648 3.742 1.00 1.21 O flip ATOM 1188 ND2 ASN A 79 -7.844 -5.699 5.601 1.00 0.55 N flip ATOM 0 H ASN A 79 -7.862 -1.943 3.832 1.00 0.30 H new ATOM 0 HA ASN A 79 -9.888 -3.694 3.186 1.00 0.33 H new ATOM 0 HB2 ASN A 79 -8.587 -2.919 5.815 1.00 0.42 H new ATOM 0 HB3 ASN A 79 -9.857 -4.126 5.776 1.00 0.42 H new ATOM 0 HD21 ASN A 79 -8.384 -5.773 6.463 1.00 0.55 H new ATOM 0 HD22 ASN A 79 -7.156 -6.415 5.367 1.00 0.55 H new ATOM 1195 N GLY A 80 -10.958 -1.176 4.991 1.00 0.37 N ATOM 1196 CA GLY A 80 -12.131 -0.472 5.418 1.00 0.46 C ATOM 1197 C GLY A 80 -12.955 0.071 4.266 1.00 0.47 C ATOM 1198 O GLY A 80 -14.178 -0.115 4.236 1.00 0.57 O ATOM 0 H GLY A 80 -10.081 -0.699 5.201 1.00 0.37 H new ATOM 0 HA2 GLY A 80 -12.751 -1.140 6.016 1.00 0.46 H new ATOM 0 HA3 GLY A 80 -11.836 0.353 6.066 1.00 0.46 H new ATOM 1202 N ALA A 81 -12.311 0.712 3.301 1.00 0.43 N ATOM 1203 CA ALA A 81 -13.023 1.335 2.193 1.00 0.49 C ATOM 1204 C ALA A 81 -13.647 0.293 1.256 1.00 0.54 C ATOM 1205 O ALA A 81 -14.707 0.539 0.663 1.00 0.68 O ATOM 1206 CB ALA A 81 -12.108 2.286 1.447 1.00 0.49 C ATOM 0 H ALA A 81 -11.297 0.815 3.262 1.00 0.43 H new ATOM 0 HA ALA A 81 -13.850 1.913 2.606 1.00 0.49 H new ATOM 0 HB1 ALA A 81 -12.654 2.744 0.622 1.00 0.49 H new ATOM 0 HB2 ALA A 81 -11.759 3.063 2.127 1.00 0.49 H new ATOM 0 HB3 ALA A 81 -11.253 1.736 1.055 1.00 0.49 H new ATOM 1212 N LEU A 82 -13.004 -0.880 1.166 1.00 0.48 N ATOM 1213 CA LEU A 82 -13.478 -2.023 0.360 1.00 0.57 C ATOM 1214 C LEU A 82 -14.934 -2.366 0.659 1.00 0.70 C ATOM 1215 O LEU A 82 -15.738 -2.549 -0.242 1.00 0.87 O ATOM 1216 CB LEU A 82 -12.614 -3.261 0.658 1.00 0.54 C ATOM 1217 CG LEU A 82 -11.214 -3.291 0.065 1.00 0.55 C ATOM 1218 CD1 LEU A 82 -10.409 -4.404 0.706 1.00 0.61 C ATOM 1219 CD2 LEU A 82 -11.289 -3.507 -1.435 1.00 0.63 C ATOM 0 H LEU A 82 -12.129 -1.068 1.656 1.00 0.48 H new ATOM 0 HA LEU A 82 -13.397 -1.737 -0.689 1.00 0.57 H new ATOM 0 HB2 LEU A 82 -12.525 -3.358 1.740 1.00 0.54 H new ATOM 0 HB3 LEU A 82 -13.150 -4.141 0.302 1.00 0.54 H new ATOM 0 HG LEU A 82 -10.725 -2.337 0.261 1.00 0.55 H new ATOM 0 HD11 LEU A 82 -9.407 -4.421 0.278 1.00 0.61 H new ATOM 0 HD12 LEU A 82 -10.342 -4.232 1.780 1.00 0.61 H new ATOM 0 HD13 LEU A 82 -10.899 -5.360 0.522 1.00 0.61 H new ATOM 0 HD21 LEU A 82 -10.282 -3.527 -1.851 1.00 0.63 H new ATOM 0 HD22 LEU A 82 -11.786 -4.455 -1.642 1.00 0.63 H new ATOM 0 HD23 LEU A 82 -11.854 -2.694 -1.892 1.00 0.63 H new ATOM 1231 N ALA A 83 -15.265 -2.407 1.934 1.00 0.69 N ATOM 1232 CA ALA A 83 -16.594 -2.817 2.375 1.00 0.87 C ATOM 1233 C ALA A 83 -17.652 -1.768 2.076 1.00 1.01 C ATOM 1234 O ALA A 83 -18.822 -2.086 1.905 1.00 1.25 O ATOM 1235 CB ALA A 83 -16.575 -3.127 3.852 1.00 0.90 C ATOM 0 H ALA A 83 -14.630 -2.160 2.693 1.00 0.69 H new ATOM 0 HA ALA A 83 -16.860 -3.713 1.814 1.00 0.87 H new ATOM 0 HB1 ALA A 83 -17.571 -3.432 4.173 1.00 0.90 H new ATOM 0 HB2 ALA A 83 -15.868 -3.934 4.045 1.00 0.90 H new ATOM 0 HB3 ALA A 83 -16.272 -2.239 4.406 1.00 0.90 H new