USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 554 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 CYS SG : rot 87:sc= 1.25 USER MOD Set 1.2: A 48 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.314 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 120:sc= 0.755 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 176:sc= 0 (180deg=-0.00398) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 110:sc= -2.08! USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 79 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -5.827 9.396 -4.425 1.00 0.00 N ATOM 45 CA LEU A 4 -4.563 8.862 -3.927 1.00 0.00 C ATOM 46 C LEU A 4 -4.458 7.369 -4.230 1.00 0.00 C ATOM 47 O LEU A 4 -5.315 6.797 -4.906 1.00 0.00 O ATOM 48 CB LEU A 4 -4.446 9.087 -2.413 1.00 0.00 C ATOM 49 CG LEU A 4 -5.637 8.436 -1.694 1.00 0.00 C ATOM 50 CD1 LEU A 4 -5.155 7.764 -0.406 1.00 0.00 C ATOM 51 CD2 LEU A 4 -6.676 9.507 -1.345 1.00 0.00 C ATOM 0 HA LEU A 4 -3.751 9.386 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -3.512 8.663 -2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.419 10.155 -2.196 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.087 7.690 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.002 7.303 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.417 6.999 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.703 8.511 0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.520 9.043 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.224 10.254 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -7.024 9.988 -2.259 1.00 0.00 H new ATOM 63 N LEU A 5 -3.397 6.744 -3.726 1.00 0.00 N ATOM 64 CA LEU A 5 -3.184 5.317 -3.949 1.00 0.00 C ATOM 65 C LEU A 5 -3.859 4.507 -2.852 1.00 0.00 C ATOM 66 O LEU A 5 -3.241 4.141 -1.855 1.00 0.00 O ATOM 67 CB LEU A 5 -1.679 5.003 -3.961 1.00 0.00 C ATOM 68 CG LEU A 5 -1.133 5.018 -5.401 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.681 3.818 -6.172 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.544 6.313 -6.116 1.00 0.00 C ATOM 0 H LEU A 5 -2.677 7.199 -3.165 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.617 5.049 -4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.144 5.735 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.502 4.027 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.045 4.964 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.293 3.832 -7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.372 2.897 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.770 3.869 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.150 6.308 -7.132 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.631 6.381 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.142 7.170 -5.576 1.00 0.00 H new ATOM 82 N THR A 6 -5.142 4.238 -3.050 1.00 0.00 N ATOM 83 CA THR A 6 -5.913 3.473 -2.073 1.00 0.00 C ATOM 84 C THR A 6 -5.848 1.980 -2.394 1.00 0.00 C ATOM 85 O THR A 6 -5.359 1.577 -3.451 1.00 0.00 O ATOM 86 CB THR A 6 -7.377 3.937 -2.069 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.111 3.192 -1.109 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.000 3.736 -3.456 1.00 0.00 C ATOM 0 H THR A 6 -5.670 4.534 -3.871 1.00 0.00 H new ATOM 0 HA THR A 6 -5.482 3.643 -1.086 1.00 0.00 H new ATOM 0 HB THR A 6 -7.410 4.996 -1.814 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.044 3.491 -1.107 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.038 4.069 -3.440 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.444 4.316 -4.192 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.961 2.680 -3.723 1.00 0.00 H new ATOM 96 N THR A 7 -6.343 1.162 -1.464 1.00 0.00 N ATOM 97 CA THR A 7 -6.341 -0.288 -1.651 1.00 0.00 C ATOM 98 C THR A 7 -7.082 -0.662 -2.933 1.00 0.00 C ATOM 99 O THR A 7 -6.648 -1.530 -3.686 1.00 0.00 O ATOM 100 CB THR A 7 -7.016 -0.976 -0.462 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.407 -0.536 0.744 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.862 -2.491 -0.589 1.00 0.00 C ATOM 0 H THR A 7 -6.747 1.476 -0.582 1.00 0.00 H new ATOM 0 HA THR A 7 -5.305 -0.620 -1.724 1.00 0.00 H new ATOM 0 HB THR A 7 -8.076 -0.722 -0.450 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.839 -0.974 1.507 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.344 -2.978 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.329 -2.828 -1.514 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.803 -2.749 -0.602 1.00 0.00 H new ATOM 110 N ASP A 8 -8.200 0.012 -3.174 1.00 0.00 N ATOM 111 CA ASP A 8 -8.988 -0.250 -4.376 1.00 0.00 C ATOM 112 C ASP A 8 -8.154 0.041 -5.623 1.00 0.00 C ATOM 113 O ASP A 8 -8.288 -0.624 -6.651 1.00 0.00 O ATOM 114 CB ASP A 8 -10.242 0.625 -4.399 1.00 0.00 C ATOM 115 CG ASP A 8 -11.341 -0.082 -5.186 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.086 -0.451 -6.320 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.422 -0.243 -4.641 1.00 0.00 O ATOM 0 H ASP A 8 -8.579 0.735 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.283 -1.299 -4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.579 0.823 -3.381 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.017 1.590 -4.854 1.00 0.00 H new ATOM 122 N ASP A 9 -7.283 1.044 -5.510 1.00 0.00 N ATOM 123 CA ASP A 9 -6.416 1.423 -6.625 1.00 0.00 C ATOM 124 C ASP A 9 -5.513 0.257 -7.020 1.00 0.00 C ATOM 125 O ASP A 9 -5.470 -0.143 -8.183 1.00 0.00 O ATOM 126 CB ASP A 9 -5.538 2.621 -6.245 1.00 0.00 C ATOM 127 CG ASP A 9 -4.801 3.127 -7.482 1.00 0.00 C ATOM 128 OD1 ASP A 9 -3.986 2.385 -8.006 1.00 0.00 O ATOM 129 OD2 ASP A 9 -5.061 4.248 -7.885 1.00 0.00 O ATOM 0 H ASP A 9 -7.160 1.604 -4.666 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.055 1.693 -7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.153 3.417 -5.824 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -4.822 2.331 -5.476 1.00 0.00 H new ATOM 134 N LEU A 10 -4.785 -0.280 -6.042 1.00 0.00 N ATOM 135 CA LEU A 10 -3.880 -1.396 -6.311 1.00 0.00 C ATOM 136 C LEU A 10 -4.656 -2.619 -6.825 1.00 0.00 C ATOM 137 O LEU A 10 -4.115 -3.453 -7.549 1.00 0.00 O ATOM 138 CB LEU A 10 -3.056 -1.746 -5.043 1.00 0.00 C ATOM 139 CG LEU A 10 -3.774 -2.774 -4.149 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.363 -4.183 -4.574 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.379 -2.558 -2.688 1.00 0.00 C ATOM 0 H LEU A 10 -4.803 0.033 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.184 -1.093 -7.093 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.085 -2.141 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.869 -0.837 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.852 -2.651 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.869 -4.915 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.643 -4.345 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.284 -4.295 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.890 -3.288 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.301 -2.679 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.664 -1.552 -2.379 1.00 0.00 H new ATOM 153 N ARG A 11 -5.924 -2.717 -6.425 1.00 0.00 N ATOM 154 CA ARG A 11 -6.763 -3.842 -6.834 1.00 0.00 C ATOM 155 C ARG A 11 -6.942 -3.867 -8.348 1.00 0.00 C ATOM 156 O ARG A 11 -6.608 -4.849 -9.006 1.00 0.00 O ATOM 157 CB ARG A 11 -8.142 -3.745 -6.177 1.00 0.00 C ATOM 158 CG ARG A 11 -8.689 -5.151 -5.919 1.00 0.00 C ATOM 159 CD ARG A 11 -9.954 -5.065 -5.059 1.00 0.00 C ATOM 160 NE ARG A 11 -10.963 -6.012 -5.529 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.826 -5.676 -6.484 1.00 0.00 C ATOM 162 NH1 ARG A 11 -12.854 -4.923 -6.201 1.00 0.00 N ATOM 163 NH2 ARG A 11 -11.645 -6.100 -7.705 1.00 0.00 N ATOM 0 H ARG A 11 -6.389 -2.037 -5.823 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.265 -4.758 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.071 -3.194 -5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.825 -3.191 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.914 -5.643 -6.865 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.936 -5.757 -5.415 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.707 -5.275 -4.018 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.355 -4.052 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.006 -6.945 -5.119 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.996 -4.592 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.515 -4.666 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.842 -6.689 -7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.306 -5.843 -8.438 1.00 0.00 H new ATOM 177 N ARG A 12 -7.481 -2.779 -8.891 1.00 0.00 N ATOM 178 CA ARG A 12 -7.709 -2.689 -10.333 1.00 0.00 C ATOM 179 C ARG A 12 -6.392 -2.784 -11.098 1.00 0.00 C ATOM 180 O ARG A 12 -6.345 -3.280 -12.223 1.00 0.00 O ATOM 181 CB ARG A 12 -8.397 -1.367 -10.688 1.00 0.00 C ATOM 182 CG ARG A 12 -7.572 -0.195 -10.154 1.00 0.00 C ATOM 183 CD ARG A 12 -8.148 1.119 -10.688 1.00 0.00 C ATOM 184 NE ARG A 12 -7.826 1.286 -12.102 1.00 0.00 N ATOM 185 CZ ARG A 12 -8.766 1.179 -13.036 1.00 0.00 C ATOM 186 NH1 ARG A 12 -9.948 1.696 -12.836 1.00 0.00 N ATOM 187 NH2 ARG A 12 -8.507 0.557 -14.154 1.00 0.00 N ATOM 0 H ARG A 12 -7.766 -1.955 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.351 -3.522 -10.618 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.508 -1.283 -11.769 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -9.400 -1.342 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.585 -0.194 -9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.531 -0.299 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.229 1.130 -10.552 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.747 1.956 -10.117 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.865 1.488 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.151 2.182 -11.963 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.669 1.614 -13.553 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.584 0.153 -14.311 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.228 0.475 -14.871 1.00 0.00 H new ATOM 201 N ALA A 13 -5.322 -2.298 -10.476 1.00 0.00 N ATOM 202 CA ALA A 13 -4.004 -2.326 -11.107 1.00 0.00 C ATOM 203 C ALA A 13 -3.472 -3.756 -11.196 1.00 0.00 C ATOM 204 O ALA A 13 -2.692 -4.086 -12.089 1.00 0.00 O ATOM 205 CB ALA A 13 -3.015 -1.479 -10.306 1.00 0.00 C ATOM 0 H ALA A 13 -5.339 -1.883 -9.544 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.108 -1.920 -12.113 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.037 -1.509 -10.787 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.368 -0.449 -10.265 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.933 -1.875 -9.294 1.00 0.00 H new ATOM 211 N LEU A 14 -3.898 -4.599 -10.259 1.00 0.00 N ATOM 212 CA LEU A 14 -3.452 -5.990 -10.237 1.00 0.00 C ATOM 213 C LEU A 14 -4.283 -6.843 -11.193 1.00 0.00 C ATOM 214 O LEU A 14 -3.803 -7.834 -11.739 1.00 0.00 O ATOM 215 CB LEU A 14 -3.578 -6.565 -8.823 1.00 0.00 C ATOM 216 CG LEU A 14 -2.291 -6.291 -8.043 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.561 -6.424 -6.543 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.221 -7.302 -8.460 1.00 0.00 C ATOM 0 H LEU A 14 -4.545 -4.347 -9.512 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.409 -6.010 -10.553 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.429 -6.115 -8.311 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.765 -7.638 -8.871 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.944 -5.281 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.643 -6.228 -5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.324 -5.705 -6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.909 -7.434 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.302 -7.109 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.570 -8.312 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.027 -7.207 -9.528 1.00 0.00 H new ATOM 230 N VAL A 15 -5.537 -6.448 -11.386 1.00 0.00 N ATOM 231 CA VAL A 15 -6.432 -7.183 -12.274 1.00 0.00 C ATOM 232 C VAL A 15 -6.148 -6.839 -13.737 1.00 0.00 C ATOM 233 O VAL A 15 -6.426 -7.631 -14.636 1.00 0.00 O ATOM 234 CB VAL A 15 -7.894 -6.854 -11.954 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.818 -7.762 -12.770 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.157 -7.078 -10.462 1.00 0.00 C ATOM 0 H VAL A 15 -5.955 -5.629 -10.943 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.257 -8.247 -12.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.089 -5.812 -12.208 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.857 -7.525 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.637 -7.604 -13.833 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.619 -8.804 -12.519 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.197 -6.843 -10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.957 -8.119 -10.210 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.504 -6.431 -9.876 1.00 0.00 H new ATOM 246 N GLU A 16 -5.592 -5.650 -13.967 1.00 0.00 N ATOM 247 CA GLU A 16 -5.277 -5.216 -15.328 1.00 0.00 C ATOM 248 C GLU A 16 -4.319 -6.197 -16.003 1.00 0.00 C ATOM 249 O GLU A 16 -4.327 -6.351 -17.224 1.00 0.00 O ATOM 250 CB GLU A 16 -4.632 -3.829 -15.309 1.00 0.00 C ATOM 251 CG GLU A 16 -5.721 -2.757 -15.348 1.00 0.00 C ATOM 252 CD GLU A 16 -6.120 -2.489 -16.795 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.675 -3.384 -17.412 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.865 -1.393 -17.266 1.00 0.00 O ATOM 0 H GLU A 16 -5.353 -4.977 -13.239 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.211 -5.180 -15.890 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -4.024 -3.712 -14.412 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.965 -3.715 -16.163 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.589 -3.084 -14.775 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.360 -1.840 -14.883 1.00 0.00 H new ATOM 261 N CYS A 17 -3.492 -6.857 -15.195 1.00 0.00 N ATOM 262 CA CYS A 17 -2.530 -7.818 -15.728 1.00 0.00 C ATOM 263 C CYS A 17 -3.159 -9.204 -15.838 1.00 0.00 C ATOM 264 O CYS A 17 -2.895 -9.947 -16.783 1.00 0.00 O ATOM 265 CB CYS A 17 -1.298 -7.898 -14.821 1.00 0.00 C ATOM 266 SG CYS A 17 -0.057 -6.699 -15.373 1.00 0.00 S ATOM 0 H CYS A 17 -3.468 -6.746 -14.181 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.231 -7.479 -16.720 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.581 -7.694 -13.788 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.881 -8.905 -14.845 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.287 -5.548 -14.814 1.00 0.00 H new ATOM 272 N ALA A 18 -3.993 -9.545 -14.859 1.00 0.00 N ATOM 273 CA ALA A 18 -4.654 -10.849 -14.856 1.00 0.00 C ATOM 274 C ALA A 18 -5.832 -10.855 -15.831 1.00 0.00 C ATOM 275 O ALA A 18 -5.746 -11.413 -16.925 1.00 0.00 O ATOM 276 CB ALA A 18 -5.158 -11.194 -13.452 1.00 0.00 C ATOM 0 H ALA A 18 -4.226 -8.946 -14.067 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.924 -11.596 -15.169 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.647 -12.168 -13.470 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.316 -11.223 -12.760 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.870 -10.437 -13.125 1.00 0.00 H new ATOM 400 N ASP A 29 -9.529 -11.544 3.375 1.00 0.00 N ATOM 401 CA ASP A 29 -8.806 -10.382 2.866 1.00 0.00 C ATOM 402 C ASP A 29 -8.023 -10.754 1.610 1.00 0.00 C ATOM 403 O ASP A 29 -7.594 -11.896 1.446 1.00 0.00 O ATOM 404 CB ASP A 29 -7.833 -9.850 3.920 1.00 0.00 C ATOM 405 CG ASP A 29 -7.624 -8.355 3.706 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.580 -7.688 3.343 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.511 -7.897 3.909 1.00 0.00 O ATOM 0 HA ASP A 29 -9.536 -9.609 2.626 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.226 -10.034 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.881 -10.375 3.850 1.00 0.00 H new ATOM 412 N PHE A 30 -7.840 -9.776 0.728 1.00 0.00 N ATOM 413 CA PHE A 30 -7.102 -10.013 -0.511 1.00 0.00 C ATOM 414 C PHE A 30 -5.715 -9.380 -0.445 1.00 0.00 C ATOM 415 O PHE A 30 -5.135 -9.010 -1.466 1.00 0.00 O ATOM 416 CB PHE A 30 -7.863 -9.435 -1.708 1.00 0.00 C ATOM 417 CG PHE A 30 -8.092 -7.951 -1.518 1.00 0.00 C ATOM 418 CD1 PHE A 30 -9.246 -7.499 -0.865 1.00 0.00 C ATOM 419 CD2 PHE A 30 -7.156 -7.027 -2.001 1.00 0.00 C ATOM 420 CE1 PHE A 30 -9.462 -6.126 -0.695 1.00 0.00 C ATOM 421 CE2 PHE A 30 -7.372 -5.655 -1.830 1.00 0.00 C ATOM 422 CZ PHE A 30 -8.526 -5.205 -1.177 1.00 0.00 C ATOM 0 H PHE A 30 -8.187 -8.824 0.844 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.997 -11.091 -0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.299 -9.608 -2.624 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.819 -9.946 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.969 -8.210 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.267 -7.374 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.352 -5.778 -0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.649 -4.944 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.694 -4.146 -1.045 1.00 0.00 H new ATOM 432 N LEU A 31 -5.192 -9.256 0.770 1.00 0.00 N ATOM 433 CA LEU A 31 -3.874 -8.664 0.961 1.00 0.00 C ATOM 434 C LEU A 31 -3.096 -9.428 2.032 1.00 0.00 C ATOM 435 O LEU A 31 -2.722 -8.880 3.071 1.00 0.00 O ATOM 436 CB LEU A 31 -4.004 -7.194 1.371 1.00 0.00 C ATOM 437 CG LEU A 31 -4.681 -6.409 0.244 1.00 0.00 C ATOM 438 CD1 LEU A 31 -5.040 -5.009 0.742 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.725 -6.297 -0.946 1.00 0.00 C ATOM 0 H LEU A 31 -5.655 -9.554 1.629 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.333 -8.725 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.587 -7.111 2.288 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.020 -6.775 1.580 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.588 -6.928 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.522 -4.450 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.721 -5.088 1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.133 -4.490 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.207 -5.738 -1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.818 -5.778 -0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.469 -7.295 -1.302 1.00 0.00 H new ATOM 451 N ASP A 32 -2.857 -10.709 1.765 1.00 0.00 N ATOM 452 CA ASP A 32 -2.124 -11.551 2.706 1.00 0.00 C ATOM 453 C ASP A 32 -0.960 -12.244 2.004 1.00 0.00 C ATOM 454 O ASP A 32 0.162 -12.269 2.507 1.00 0.00 O ATOM 455 CB ASP A 32 -3.047 -12.614 3.303 1.00 0.00 C ATOM 456 CG ASP A 32 -3.790 -12.027 4.498 1.00 0.00 C ATOM 457 OD1 ASP A 32 -3.137 -11.446 5.349 1.00 0.00 O ATOM 458 OD2 ASP A 32 -5.001 -12.167 4.545 1.00 0.00 O ATOM 0 H ASP A 32 -3.157 -11.183 0.913 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.742 -10.912 3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.758 -12.957 2.552 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.466 -13.483 3.613 1.00 0.00 H new ATOM 463 N LEU A 33 -1.245 -12.806 0.834 1.00 0.00 N ATOM 464 CA LEU A 33 -0.218 -13.500 0.062 1.00 0.00 C ATOM 465 C LEU A 33 -0.585 -13.499 -1.421 1.00 0.00 C ATOM 466 O LEU A 33 -0.289 -14.444 -2.150 1.00 0.00 O ATOM 467 CB LEU A 33 -0.072 -14.946 0.550 1.00 0.00 C ATOM 468 CG LEU A 33 1.409 -15.334 0.584 1.00 0.00 C ATOM 469 CD1 LEU A 33 2.097 -14.623 1.752 1.00 0.00 C ATOM 470 CD2 LEU A 33 1.533 -16.848 0.768 1.00 0.00 C ATOM 0 H LEU A 33 -2.169 -12.796 0.402 1.00 0.00 H new ATOM 0 HA LEU A 33 0.729 -12.978 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.508 -15.050 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.619 -15.619 -0.110 1.00 0.00 H new ATOM 0 HG LEU A 33 1.884 -15.039 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.151 -14.899 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.007 -13.544 1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.623 -14.919 2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.587 -17.126 0.792 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.058 -17.141 1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.042 -17.357 -0.062 1.00 0.00 H new ATOM 482 N ARG A 34 -1.239 -12.423 -1.852 1.00 0.00 N ATOM 483 CA ARG A 34 -1.654 -12.295 -3.249 1.00 0.00 C ATOM 484 C ARG A 34 -0.460 -12.408 -4.200 1.00 0.00 C ATOM 485 O ARG A 34 -0.623 -12.717 -5.379 1.00 0.00 O ATOM 486 CB ARG A 34 -2.340 -10.946 -3.477 1.00 0.00 C ATOM 487 CG ARG A 34 -3.292 -11.052 -4.669 1.00 0.00 C ATOM 488 CD ARG A 34 -4.194 -9.818 -4.711 1.00 0.00 C ATOM 489 NE ARG A 34 -5.504 -10.156 -5.260 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.636 -10.557 -6.521 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.639 -9.681 -7.488 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.762 -11.828 -6.792 1.00 0.00 N ATOM 0 H ARG A 34 -1.492 -11.632 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.349 -13.108 -3.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.890 -10.651 -2.584 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.594 -10.173 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.724 -11.132 -5.596 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.897 -11.955 -4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.309 -9.411 -3.706 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.729 -9.042 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.331 -10.083 -4.667 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.540 -8.688 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.740 -9.989 -8.455 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.759 -12.513 -6.036 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.863 -12.136 -7.759 1.00 0.00 H new ATOM 506 N PHE A 35 0.740 -12.147 -3.683 1.00 0.00 N ATOM 507 CA PHE A 35 1.942 -12.219 -4.512 1.00 0.00 C ATOM 508 C PHE A 35 2.582 -13.603 -4.412 1.00 0.00 C ATOM 509 O PHE A 35 2.988 -14.187 -5.415 1.00 0.00 O ATOM 510 CB PHE A 35 2.966 -11.168 -4.067 1.00 0.00 C ATOM 511 CG PHE A 35 2.653 -9.825 -4.696 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.349 -9.311 -4.660 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.677 -9.083 -5.305 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.070 -8.064 -5.233 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.396 -7.836 -5.874 1.00 0.00 C ATOM 516 CZ PHE A 35 2.094 -7.327 -5.838 1.00 0.00 C ATOM 0 H PHE A 35 0.905 -11.888 -2.710 1.00 0.00 H new ATOM 0 HA PHE A 35 1.646 -12.028 -5.544 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.956 -11.079 -2.981 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.969 -11.485 -4.352 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.559 -9.877 -4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.683 -9.475 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.064 -7.671 -5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.185 -7.266 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.879 -6.364 -6.278 1.00 0.00 H new ATOM 526 N GLU A 36 2.677 -14.114 -3.186 1.00 0.00 N ATOM 527 CA GLU A 36 3.282 -15.427 -2.962 1.00 0.00 C ATOM 528 C GLU A 36 2.211 -16.506 -2.785 1.00 0.00 C ATOM 529 O GLU A 36 2.248 -17.293 -1.838 1.00 0.00 O ATOM 530 CB GLU A 36 4.178 -15.390 -1.720 1.00 0.00 C ATOM 531 CG GLU A 36 5.597 -14.990 -2.126 1.00 0.00 C ATOM 532 CD GLU A 36 6.579 -15.441 -1.051 1.00 0.00 C ATOM 533 OE1 GLU A 36 7.045 -16.564 -1.137 1.00 0.00 O ATOM 534 OE2 GLU A 36 6.847 -14.658 -0.156 1.00 0.00 O ATOM 0 H GLU A 36 2.348 -13.646 -2.341 1.00 0.00 H new ATOM 0 HA GLU A 36 3.881 -15.673 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.782 -14.680 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.188 -16.367 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.855 -15.444 -3.083 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.658 -13.910 -2.259 1.00 0.00 H new ATOM 541 N ASP A 37 1.261 -16.542 -3.713 1.00 0.00 N ATOM 542 CA ASP A 37 0.193 -17.538 -3.652 1.00 0.00 C ATOM 543 C ASP A 37 -0.264 -17.912 -5.058 1.00 0.00 C ATOM 544 O ASP A 37 -0.068 -19.040 -5.510 1.00 0.00 O ATOM 545 CB ASP A 37 -1.001 -17.000 -2.858 1.00 0.00 C ATOM 546 CG ASP A 37 -2.015 -18.118 -2.639 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.721 -19.016 -1.868 1.00 0.00 O ATOM 548 OD2 ASP A 37 -3.072 -18.060 -3.248 1.00 0.00 O ATOM 0 H ASP A 37 1.206 -15.904 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 37 0.585 -18.423 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.665 -16.607 -1.898 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.466 -16.174 -3.396 1.00 0.00 H new ATOM 553 N ILE A 38 -0.871 -16.951 -5.746 1.00 0.00 N ATOM 554 CA ILE A 38 -1.346 -17.189 -7.104 1.00 0.00 C ATOM 555 C ILE A 38 -0.161 -17.443 -8.038 1.00 0.00 C ATOM 556 O ILE A 38 -0.258 -18.210 -8.995 1.00 0.00 O ATOM 557 CB ILE A 38 -2.159 -15.982 -7.600 1.00 0.00 C ATOM 558 CG1 ILE A 38 -2.691 -16.250 -9.012 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.277 -14.731 -7.619 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.855 -15.302 -9.302 1.00 0.00 C ATOM 0 H ILE A 38 -1.044 -16.011 -5.391 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.989 -18.069 -7.102 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.998 -15.824 -6.923 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.898 -16.105 -9.745 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.020 -17.286 -9.099 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.860 -13.880 -7.972 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.911 -14.528 -6.612 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.431 -14.893 -8.287 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.236 -15.490 -10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.650 -15.469 -8.575 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.510 -14.270 -9.232 1.00 0.00 H new ATOM 572 N GLY A 39 0.958 -16.787 -7.742 1.00 0.00 N ATOM 573 CA GLY A 39 2.161 -16.943 -8.556 1.00 0.00 C ATOM 574 C GLY A 39 2.492 -15.642 -9.279 1.00 0.00 C ATOM 575 O GLY A 39 2.887 -15.647 -10.446 1.00 0.00 O ATOM 0 H GLY A 39 1.057 -16.148 -6.953 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.999 -17.237 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.014 -17.742 -9.283 1.00 0.00 H new ATOM 579 N TYR A 40 2.325 -14.527 -8.574 1.00 0.00 N ATOM 580 CA TYR A 40 2.607 -13.219 -9.161 1.00 0.00 C ATOM 581 C TYR A 40 4.112 -12.961 -9.190 1.00 0.00 C ATOM 582 O TYR A 40 4.673 -12.376 -8.264 1.00 0.00 O ATOM 583 CB TYR A 40 1.913 -12.104 -8.354 1.00 0.00 C ATOM 584 CG TYR A 40 0.852 -11.438 -9.202 1.00 0.00 C ATOM 585 CD1 TYR A 40 -0.255 -12.174 -9.644 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.978 -10.088 -9.547 1.00 0.00 C ATOM 587 CE1 TYR A 40 -1.234 -11.559 -10.431 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.003 -9.472 -10.334 1.00 0.00 C ATOM 589 CZ TYR A 40 -1.109 -10.209 -10.776 1.00 0.00 C ATOM 590 OH TYR A 40 -2.075 -9.604 -11.552 1.00 0.00 O ATOM 0 H TYR A 40 2.000 -14.501 -7.608 1.00 0.00 H new ATOM 0 HA TYR A 40 2.222 -13.216 -10.181 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.462 -12.522 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.648 -11.367 -8.030 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.352 -13.216 -9.377 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.832 -9.521 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.087 -12.127 -10.773 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.093 -8.430 -10.600 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.476 -8.860 -11.055 1.00 0.00 H new ATOM 600 N ASP A 41 4.760 -13.398 -10.270 1.00 0.00 N ATOM 601 CA ASP A 41 6.200 -13.202 -10.409 1.00 0.00 C ATOM 602 C ASP A 41 6.539 -11.715 -10.387 1.00 0.00 C ATOM 603 O ASP A 41 5.704 -10.863 -10.689 1.00 0.00 O ATOM 604 CB ASP A 41 6.721 -13.828 -11.711 1.00 0.00 C ATOM 605 CG ASP A 41 6.039 -13.191 -12.922 1.00 0.00 C ATOM 606 OD1 ASP A 41 4.906 -12.761 -12.785 1.00 0.00 O ATOM 607 OD2 ASP A 41 6.663 -13.144 -13.969 1.00 0.00 O ATOM 0 H ASP A 41 4.317 -13.883 -11.050 1.00 0.00 H new ATOM 0 HA ASP A 41 6.685 -13.696 -9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.800 -13.692 -11.781 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.535 -14.902 -11.705 1.00 0.00 H new ATOM 612 N SER A 42 7.773 -11.424 -10.013 1.00 0.00 N ATOM 613 CA SER A 42 8.237 -10.041 -9.932 1.00 0.00 C ATOM 614 C SER A 42 8.128 -9.343 -11.285 1.00 0.00 C ATOM 615 O SER A 42 7.817 -8.156 -11.359 1.00 0.00 O ATOM 616 CB SER A 42 9.692 -9.993 -9.467 1.00 0.00 C ATOM 617 OG SER A 42 10.476 -10.850 -10.287 1.00 0.00 O ATOM 0 H SER A 42 8.473 -12.121 -9.760 1.00 0.00 H new ATOM 0 HA SER A 42 7.602 -9.524 -9.213 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.070 -8.972 -9.522 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.763 -10.303 -8.424 1.00 0.00 H new ATOM 0 HG SER A 42 11.410 -10.820 -9.992 1.00 0.00 H new ATOM 623 N LEU A 43 8.399 -10.086 -12.352 1.00 0.00 N ATOM 624 CA LEU A 43 8.343 -9.522 -13.700 1.00 0.00 C ATOM 625 C LEU A 43 6.941 -9.012 -14.037 1.00 0.00 C ATOM 626 O LEU A 43 6.785 -7.994 -14.711 1.00 0.00 O ATOM 627 CB LEU A 43 8.746 -10.574 -14.735 1.00 0.00 C ATOM 628 CG LEU A 43 9.457 -9.894 -15.907 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.535 -10.827 -16.461 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.441 -9.582 -17.009 1.00 0.00 C ATOM 0 H LEU A 43 8.658 -11.072 -12.314 1.00 0.00 H new ATOM 0 HA LEU A 43 9.039 -8.684 -13.728 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.402 -11.315 -14.279 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.863 -11.106 -15.091 1.00 0.00 H new ATOM 0 HG LEU A 43 9.918 -8.968 -15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.041 -10.343 -17.296 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.259 -11.051 -15.678 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.073 -11.753 -16.804 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.947 -9.098 -17.844 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.980 -10.508 -17.352 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.671 -8.918 -16.617 1.00 0.00 H new ATOM 642 N ALA A 44 5.925 -9.737 -13.577 1.00 0.00 N ATOM 643 CA ALA A 44 4.540 -9.352 -13.857 1.00 0.00 C ATOM 644 C ALA A 44 4.158 -8.066 -13.126 1.00 0.00 C ATOM 645 O ALA A 44 3.779 -7.074 -13.746 1.00 0.00 O ATOM 646 CB ALA A 44 3.579 -10.462 -13.429 1.00 0.00 C ATOM 0 H ALA A 44 6.029 -10.583 -13.016 1.00 0.00 H new ATOM 0 HA ALA A 44 4.464 -9.186 -14.932 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.554 -10.159 -13.644 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.810 -11.375 -13.977 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.686 -10.644 -12.360 1.00 0.00 H new ATOM 652 N LEU A 45 4.239 -8.105 -11.800 1.00 0.00 N ATOM 653 CA LEU A 45 3.878 -6.943 -10.987 1.00 0.00 C ATOM 654 C LEU A 45 4.809 -5.751 -11.240 1.00 0.00 C ATOM 655 O LEU A 45 4.500 -4.624 -10.855 1.00 0.00 O ATOM 656 CB LEU A 45 3.915 -7.302 -9.500 1.00 0.00 C ATOM 657 CG LEU A 45 5.276 -7.923 -9.145 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.096 -6.926 -8.328 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.065 -9.196 -8.316 1.00 0.00 C ATOM 0 H LEU A 45 4.548 -8.918 -11.267 1.00 0.00 H new ATOM 0 HA LEU A 45 2.868 -6.654 -11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.744 -6.410 -8.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.114 -8.003 -9.266 1.00 0.00 H new ATOM 0 HG LEU A 45 5.806 -8.170 -10.065 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.060 -7.367 -8.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.253 -6.019 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.560 -6.679 -7.411 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.032 -9.632 -8.067 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.531 -8.948 -7.398 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.481 -9.913 -8.893 1.00 0.00 H new ATOM 671 N MET A 46 5.948 -5.998 -11.888 1.00 0.00 N ATOM 672 CA MET A 46 6.893 -4.916 -12.172 1.00 0.00 C ATOM 673 C MET A 46 6.419 -4.092 -13.371 1.00 0.00 C ATOM 674 O MET A 46 6.721 -2.905 -13.480 1.00 0.00 O ATOM 675 CB MET A 46 8.289 -5.478 -12.465 1.00 0.00 C ATOM 676 CG MET A 46 9.288 -4.329 -12.635 1.00 0.00 C ATOM 677 SD MET A 46 10.967 -4.942 -12.350 1.00 0.00 S ATOM 678 CE MET A 46 11.818 -3.785 -13.452 1.00 0.00 C ATOM 0 H MET A 46 6.236 -6.918 -12.221 1.00 0.00 H new ATOM 0 HA MET A 46 6.943 -4.276 -11.291 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.606 -6.130 -11.651 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.263 -6.086 -13.369 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.208 -3.909 -13.638 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.058 -3.527 -11.934 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.895 -3.938 -13.379 1.00 0.00 H new ATOM 0 HE2 MET A 46 11.496 -3.957 -14.479 1.00 0.00 H new ATOM 0 HE3 MET A 46 11.576 -2.762 -13.163 1.00 0.00 H new ATOM 688 N GLU A 47 5.680 -4.737 -14.271 1.00 0.00 N ATOM 689 CA GLU A 47 5.175 -4.052 -15.458 1.00 0.00 C ATOM 690 C GLU A 47 4.197 -2.947 -15.069 1.00 0.00 C ATOM 691 O GLU A 47 4.386 -1.782 -15.418 1.00 0.00 O ATOM 692 CB GLU A 47 4.464 -5.043 -16.383 1.00 0.00 C ATOM 693 CG GLU A 47 5.501 -5.783 -17.230 1.00 0.00 C ATOM 694 CD GLU A 47 4.790 -6.685 -18.232 1.00 0.00 C ATOM 695 OE1 GLU A 47 4.390 -6.184 -19.271 1.00 0.00 O ATOM 696 OE2 GLU A 47 4.657 -7.864 -17.949 1.00 0.00 O ATOM 0 H GLU A 47 5.420 -5.721 -14.203 1.00 0.00 H new ATOM 0 HA GLU A 47 6.026 -3.612 -15.977 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.884 -5.754 -15.795 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.761 -4.515 -17.028 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.135 -5.068 -17.754 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.153 -6.377 -16.589 1.00 0.00 H new ATOM 703 N THR A 48 3.145 -3.325 -14.346 1.00 0.00 N ATOM 704 CA THR A 48 2.138 -2.356 -13.918 1.00 0.00 C ATOM 705 C THR A 48 2.728 -1.376 -12.909 1.00 0.00 C ATOM 706 O THR A 48 2.549 -0.163 -13.022 1.00 0.00 O ATOM 707 CB THR A 48 0.946 -3.068 -13.274 1.00 0.00 C ATOM 708 OG1 THR A 48 0.498 -4.109 -14.132 1.00 0.00 O ATOM 709 CG2 THR A 48 -0.189 -2.066 -13.050 1.00 0.00 C ATOM 0 H THR A 48 2.968 -4.284 -14.047 1.00 0.00 H new ATOM 0 HA THR A 48 1.805 -1.812 -14.802 1.00 0.00 H new ATOM 0 HB THR A 48 1.249 -3.491 -12.316 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.078 -4.892 -14.027 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.037 -2.574 -12.591 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.155 -1.268 -12.392 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.494 -1.642 -14.007 1.00 0.00 H new ATOM 717 N ALA A 49 3.431 -1.917 -11.920 1.00 0.00 N ATOM 718 CA ALA A 49 4.047 -1.086 -10.884 1.00 0.00 C ATOM 719 C ALA A 49 5.002 -0.060 -11.495 1.00 0.00 C ATOM 720 O ALA A 49 5.255 0.993 -10.911 1.00 0.00 O ATOM 721 CB ALA A 49 4.823 -1.958 -9.895 1.00 0.00 C ATOM 0 H ALA A 49 3.590 -2.919 -11.811 1.00 0.00 H new ATOM 0 HA ALA A 49 3.246 -0.560 -10.365 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.276 -1.327 -9.130 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.143 -2.667 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.604 -2.502 -10.425 1.00 0.00 H new ATOM 727 N ALA A 50 5.535 -0.378 -12.674 1.00 0.00 N ATOM 728 CA ALA A 50 6.462 0.528 -13.347 1.00 0.00 C ATOM 729 C ALA A 50 5.701 1.627 -14.080 1.00 0.00 C ATOM 730 O ALA A 50 6.120 2.785 -14.100 1.00 0.00 O ATOM 731 CB ALA A 50 7.324 -0.238 -14.353 1.00 0.00 C ATOM 0 H ALA A 50 5.344 -1.245 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 50 7.102 0.977 -12.587 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.009 0.452 -14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.895 -1.006 -13.832 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.683 -0.707 -15.099 1.00 0.00 H new ATOM 737 N ARG A 51 4.576 1.253 -14.682 1.00 0.00 N ATOM 738 CA ARG A 51 3.758 2.214 -15.416 1.00 0.00 C ATOM 739 C ARG A 51 3.258 3.313 -14.481 1.00 0.00 C ATOM 740 O ARG A 51 3.088 4.463 -14.885 1.00 0.00 O ATOM 741 CB ARG A 51 2.552 1.515 -16.051 1.00 0.00 C ATOM 742 CG ARG A 51 2.195 2.203 -17.370 1.00 0.00 C ATOM 743 CD ARG A 51 0.963 1.530 -17.977 1.00 0.00 C ATOM 744 NE ARG A 51 0.901 1.767 -19.417 1.00 0.00 N ATOM 745 CZ ARG A 51 -0.004 1.152 -20.174 1.00 0.00 C ATOM 746 NH1 ARG A 51 -1.256 1.128 -19.807 1.00 0.00 N ATOM 747 NH2 ARG A 51 0.361 0.570 -21.284 1.00 0.00 N ATOM 0 H ARG A 51 4.212 0.300 -14.677 1.00 0.00 H new ATOM 0 HA ARG A 51 4.377 2.655 -16.198 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.780 0.464 -16.228 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.701 1.547 -15.371 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.998 3.261 -17.199 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.034 2.143 -18.063 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.995 0.458 -17.781 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.061 1.915 -17.501 1.00 0.00 H new ATOM 0 HE ARG A 51 1.561 2.414 -19.849 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.542 1.581 -18.939 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.949 0.656 -20.388 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.340 0.587 -21.571 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.333 0.098 -21.865 1.00 0.00 H new ATOM 761 N LEU A 52 3.024 2.941 -13.224 1.00 0.00 N ATOM 762 CA LEU A 52 2.542 3.898 -12.232 1.00 0.00 C ATOM 763 C LEU A 52 3.710 4.602 -11.543 1.00 0.00 C ATOM 764 O LEU A 52 3.586 5.741 -11.097 1.00 0.00 O ATOM 765 CB LEU A 52 1.696 3.188 -11.172 1.00 0.00 C ATOM 766 CG LEU A 52 0.525 2.473 -11.847 1.00 0.00 C ATOM 767 CD1 LEU A 52 -0.031 1.404 -10.904 1.00 0.00 C ATOM 768 CD2 LEU A 52 -0.575 3.489 -12.169 1.00 0.00 C ATOM 0 H LEU A 52 3.159 1.993 -12.871 1.00 0.00 H new ATOM 0 HA LEU A 52 1.934 4.637 -12.753 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.307 2.470 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.324 3.910 -10.445 1.00 0.00 H new ATOM 0 HG LEU A 52 0.868 2.003 -12.769 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.866 0.894 -11.384 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.751 0.681 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.375 1.875 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.410 2.981 -12.650 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.918 3.958 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.180 4.253 -12.839 1.00 0.00 H new ATOM 780 N GLU A 53 4.847 3.911 -11.460 1.00 0.00 N ATOM 781 CA GLU A 53 6.030 4.485 -10.821 1.00 0.00 C ATOM 782 C GLU A 53 6.461 5.763 -11.538 1.00 0.00 C ATOM 783 O GLU A 53 6.982 6.693 -10.921 1.00 0.00 O ATOM 784 CB GLU A 53 7.190 3.488 -10.845 1.00 0.00 C ATOM 785 CG GLU A 53 8.318 3.993 -9.943 1.00 0.00 C ATOM 786 CD GLU A 53 8.062 3.545 -8.508 1.00 0.00 C ATOM 787 OE1 GLU A 53 6.915 3.581 -8.093 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.015 3.173 -7.845 1.00 0.00 O ATOM 0 H GLU A 53 4.973 2.966 -11.822 1.00 0.00 H new ATOM 0 HA GLU A 53 5.771 4.718 -9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.849 2.510 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.554 3.363 -11.865 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.276 3.606 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.377 5.080 -9.991 1.00 0.00 H new ATOM 795 N SER A 54 6.234 5.796 -12.848 1.00 0.00 N ATOM 796 CA SER A 54 6.598 6.963 -13.646 1.00 0.00 C ATOM 797 C SER A 54 5.421 7.930 -13.756 1.00 0.00 C ATOM 798 O SER A 54 5.606 9.137 -13.910 1.00 0.00 O ATOM 799 CB SER A 54 7.028 6.539 -15.050 1.00 0.00 C ATOM 800 OG SER A 54 5.933 5.916 -15.709 1.00 0.00 O ATOM 0 H SER A 54 5.804 5.036 -13.376 1.00 0.00 H new ATOM 0 HA SER A 54 7.429 7.462 -13.147 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.363 7.407 -15.618 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.872 5.851 -14.992 1.00 0.00 H new ATOM 0 HG SER A 54 6.205 5.644 -16.610 1.00 0.00 H new ATOM 806 N ARG A 55 4.206 7.387 -13.682 1.00 0.00 N ATOM 807 CA ARG A 55 3.003 8.214 -13.777 1.00 0.00 C ATOM 808 C ARG A 55 2.983 9.268 -12.673 1.00 0.00 C ATOM 809 O ARG A 55 3.051 10.469 -12.940 1.00 0.00 O ATOM 810 CB ARG A 55 1.748 7.347 -13.658 1.00 0.00 C ATOM 811 CG ARG A 55 0.572 8.045 -14.352 1.00 0.00 C ATOM 812 CD ARG A 55 0.391 7.473 -15.760 1.00 0.00 C ATOM 813 NE ARG A 55 1.029 8.334 -16.752 1.00 0.00 N ATOM 814 CZ ARG A 55 0.383 8.704 -17.854 1.00 0.00 C ATOM 815 NH1 ARG A 55 -0.127 7.801 -18.645 1.00 0.00 N ATOM 816 NH2 ARG A 55 0.260 9.971 -18.145 1.00 0.00 N ATOM 0 H ARG A 55 4.029 6.390 -13.558 1.00 0.00 H new ATOM 0 HA ARG A 55 3.015 8.709 -14.748 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.924 6.371 -14.111 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.512 7.173 -12.608 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -0.340 7.905 -13.772 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.754 9.118 -14.406 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.820 6.472 -15.810 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.671 7.376 -15.985 1.00 0.00 H new ATOM 0 HE ARG A 55 1.984 8.656 -16.597 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.030 6.811 -18.418 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.623 8.085 -19.490 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.659 10.677 -17.527 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -0.236 10.254 -18.990 1.00 0.00 H new ATOM 830 N TYR A 56 2.890 8.806 -11.429 1.00 0.00 N ATOM 831 CA TYR A 56 2.862 9.718 -10.288 1.00 0.00 C ATOM 832 C TYR A 56 4.275 10.177 -9.933 1.00 0.00 C ATOM 833 O TYR A 56 4.472 11.278 -9.419 1.00 0.00 O ATOM 834 CB TYR A 56 2.236 9.038 -9.061 1.00 0.00 C ATOM 835 CG TYR A 56 0.914 8.383 -9.427 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.001 9.041 -10.265 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.606 7.113 -8.920 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.216 8.429 -10.593 1.00 0.00 C ATOM 839 CE2 TYR A 56 -0.610 6.503 -9.251 1.00 0.00 C ATOM 840 CZ TYR A 56 -1.521 7.161 -10.087 1.00 0.00 C ATOM 841 OH TYR A 56 -2.719 6.557 -10.412 1.00 0.00 O ATOM 0 H TYR A 56 2.833 7.817 -11.186 1.00 0.00 H new ATOM 0 HA TYR A 56 2.258 10.581 -10.570 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.921 8.289 -8.665 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.077 9.774 -8.273 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.233 10.020 -10.657 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.307 6.605 -8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.919 8.936 -11.237 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -0.846 5.524 -8.861 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.771 5.680 -9.978 1.00 0.00 H new ATOM 851 N GLY A 57 5.257 9.320 -10.207 1.00 0.00 N ATOM 852 CA GLY A 57 6.648 9.652 -9.907 1.00 0.00 C ATOM 853 C GLY A 57 6.834 9.869 -8.410 1.00 0.00 C ATOM 854 O GLY A 57 7.124 10.977 -7.959 1.00 0.00 O ATOM 0 H GLY A 57 5.118 8.403 -10.631 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.301 8.849 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.939 10.552 -10.450 1.00 0.00 H new ATOM 858 N VAL A 58 6.644 8.800 -7.642 1.00 0.00 N ATOM 859 CA VAL A 58 6.775 8.883 -6.190 1.00 0.00 C ATOM 860 C VAL A 58 8.192 9.352 -5.792 1.00 0.00 C ATOM 861 O VAL A 58 8.378 10.515 -5.436 1.00 0.00 O ATOM 862 CB VAL A 58 6.381 7.531 -5.524 1.00 0.00 C ATOM 863 CG1 VAL A 58 6.955 6.330 -6.295 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.858 7.481 -4.065 1.00 0.00 C ATOM 0 H VAL A 58 6.401 7.875 -7.996 1.00 0.00 H new ATOM 0 HA VAL A 58 6.080 9.635 -5.816 1.00 0.00 H new ATOM 0 HB VAL A 58 5.293 7.468 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.659 5.405 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.571 6.335 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.043 6.398 -6.317 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.571 6.528 -3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.943 7.585 -4.033 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.399 8.295 -3.504 1.00 0.00 H new ATOM 874 N SER A 59 9.185 8.460 -5.845 1.00 0.00 N ATOM 875 CA SER A 59 10.550 8.839 -5.477 1.00 0.00 C ATOM 876 C SER A 59 11.495 7.647 -5.610 1.00 0.00 C ATOM 877 O SER A 59 12.640 7.790 -6.041 1.00 0.00 O ATOM 878 CB SER A 59 10.598 9.347 -4.035 1.00 0.00 C ATOM 879 OG SER A 59 9.621 8.661 -3.262 1.00 0.00 O ATOM 0 H SER A 59 9.073 7.488 -6.134 1.00 0.00 H new ATOM 0 HA SER A 59 10.867 9.632 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.590 9.186 -3.614 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.411 10.420 -4.009 1.00 0.00 H new ATOM 0 HG SER A 59 10.067 8.055 -2.634 1.00 0.00 H new ATOM 885 N ILE A 60 11.004 6.470 -5.233 1.00 0.00 N ATOM 886 CA ILE A 60 11.817 5.258 -5.313 1.00 0.00 C ATOM 887 C ILE A 60 11.713 4.636 -6.710 1.00 0.00 C ATOM 888 O ILE A 60 10.759 4.902 -7.438 1.00 0.00 O ATOM 889 CB ILE A 60 11.384 4.218 -4.271 1.00 0.00 C ATOM 890 CG1 ILE A 60 9.844 3.996 -4.353 1.00 0.00 C ATOM 891 CG2 ILE A 60 11.838 4.667 -2.871 1.00 0.00 C ATOM 892 CD1 ILE A 60 9.059 4.840 -3.327 1.00 0.00 C ATOM 0 H ILE A 60 10.060 6.329 -4.873 1.00 0.00 H new ATOM 0 HA ILE A 60 12.848 5.547 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 60 11.860 3.260 -4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.500 4.242 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.625 2.941 -4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.529 3.926 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.923 4.765 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.384 5.629 -2.632 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.992 4.642 -3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 60 9.378 4.577 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.251 5.898 -3.504 1.00 0.00 H new ATOM 904 N PRO A 61 12.693 3.804 -7.105 1.00 0.00 N ATOM 905 CA PRO A 61 12.679 3.163 -8.432 1.00 0.00 C ATOM 906 C PRO A 61 11.769 1.937 -8.490 1.00 0.00 C ATOM 907 O PRO A 61 11.008 1.664 -7.561 1.00 0.00 O ATOM 908 CB PRO A 61 14.138 2.766 -8.620 1.00 0.00 C ATOM 909 CG PRO A 61 14.753 2.650 -7.230 1.00 0.00 C ATOM 910 CD PRO A 61 13.866 3.446 -6.269 1.00 0.00 C ATOM 0 HA PRO A 61 12.289 3.822 -9.208 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.214 1.819 -9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 61 14.667 3.511 -9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.812 1.606 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.770 3.041 -7.227 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.576 2.851 -5.403 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.376 4.332 -5.891 1.00 0.00 H new ATOM 918 N ASP A 62 11.857 1.208 -9.598 1.00 0.00 N ATOM 919 CA ASP A 62 11.037 0.012 -9.784 1.00 0.00 C ATOM 920 C ASP A 62 11.702 -1.231 -9.177 1.00 0.00 C ATOM 921 O ASP A 62 11.083 -2.290 -9.096 1.00 0.00 O ATOM 922 CB ASP A 62 10.796 -0.232 -11.279 1.00 0.00 C ATOM 923 CG ASP A 62 9.427 0.311 -11.676 1.00 0.00 C ATOM 924 OD1 ASP A 62 8.449 -0.378 -11.443 1.00 0.00 O ATOM 925 OD2 ASP A 62 9.379 1.409 -12.207 1.00 0.00 O ATOM 0 H ASP A 62 12.482 1.420 -10.376 1.00 0.00 H new ATOM 0 HA ASP A 62 10.090 0.183 -9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.575 0.254 -11.867 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.852 -1.299 -11.497 1.00 0.00 H new ATOM 930 N ASP A 63 12.963 -1.103 -8.761 1.00 0.00 N ATOM 931 CA ASP A 63 13.679 -2.236 -8.175 1.00 0.00 C ATOM 932 C ASP A 63 13.056 -2.643 -6.841 1.00 0.00 C ATOM 933 O ASP A 63 12.853 -3.829 -6.570 1.00 0.00 O ATOM 934 CB ASP A 63 15.149 -1.879 -7.948 1.00 0.00 C ATOM 935 CG ASP A 63 15.913 -2.006 -9.262 1.00 0.00 C ATOM 936 OD1 ASP A 63 16.063 -3.121 -9.733 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.336 -0.985 -9.779 1.00 0.00 O ATOM 0 H ASP A 63 13.503 -0.239 -8.818 1.00 0.00 H new ATOM 0 HA ASP A 63 13.607 -3.070 -8.873 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.232 -0.862 -7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.583 -2.540 -7.198 1.00 0.00 H new ATOM 942 N VAL A 64 12.760 -1.648 -6.007 1.00 0.00 N ATOM 943 CA VAL A 64 12.165 -1.911 -4.695 1.00 0.00 C ATOM 944 C VAL A 64 10.855 -2.691 -4.842 1.00 0.00 C ATOM 945 O VAL A 64 10.599 -3.646 -4.109 1.00 0.00 O ATOM 946 CB VAL A 64 11.908 -0.588 -3.954 1.00 0.00 C ATOM 947 CG1 VAL A 64 10.893 0.264 -4.721 1.00 0.00 C ATOM 948 CG2 VAL A 64 11.374 -0.878 -2.547 1.00 0.00 C ATOM 0 H VAL A 64 12.920 -0.662 -6.212 1.00 0.00 H new ATOM 0 HA VAL A 64 12.865 -2.514 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 64 12.847 -0.040 -3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.722 1.197 -4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.280 0.484 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.953 -0.281 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.193 0.062 -2.026 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.441 -1.438 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.107 -1.465 -1.993 1.00 0.00 H new ATOM 958 N ALA A 65 10.040 -2.273 -5.803 1.00 0.00 N ATOM 959 CA ALA A 65 8.764 -2.939 -6.049 1.00 0.00 C ATOM 960 C ALA A 65 8.985 -4.308 -6.694 1.00 0.00 C ATOM 961 O ALA A 65 8.150 -5.204 -6.577 1.00 0.00 O ATOM 962 CB ALA A 65 7.886 -2.089 -6.970 1.00 0.00 C ATOM 0 H ALA A 65 10.236 -1.484 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 65 8.265 -3.070 -5.089 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.939 -2.600 -7.143 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.697 -1.123 -6.502 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.396 -1.938 -7.921 1.00 0.00 H new ATOM 968 N GLY A 66 10.122 -4.462 -7.376 1.00 0.00 N ATOM 969 CA GLY A 66 10.440 -5.727 -8.029 1.00 0.00 C ATOM 970 C GLY A 66 10.696 -6.816 -6.994 1.00 0.00 C ATOM 971 O GLY A 66 10.424 -7.993 -7.231 1.00 0.00 O ATOM 0 H GLY A 66 10.828 -3.734 -7.488 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.618 -6.023 -8.680 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.319 -5.605 -8.661 1.00 0.00 H new ATOM 975 N ARG A 67 11.223 -6.410 -5.842 1.00 0.00 N ATOM 976 CA ARG A 67 11.511 -7.362 -4.771 1.00 0.00 C ATOM 977 C ARG A 67 10.375 -7.392 -3.748 1.00 0.00 C ATOM 978 O ARG A 67 10.589 -7.700 -2.576 1.00 0.00 O ATOM 979 CB ARG A 67 12.812 -6.987 -4.058 1.00 0.00 C ATOM 980 CG ARG A 67 13.994 -7.655 -4.765 1.00 0.00 C ATOM 981 CD ARG A 67 15.263 -6.834 -4.527 1.00 0.00 C ATOM 982 NE ARG A 67 15.594 -6.796 -3.105 1.00 0.00 N ATOM 983 CZ ARG A 67 16.670 -7.421 -2.635 1.00 0.00 C ATOM 984 NH1 ARG A 67 17.805 -7.332 -3.272 1.00 0.00 N ATOM 985 NH2 ARG A 67 16.590 -8.123 -1.538 1.00 0.00 N ATOM 0 H ARG A 67 11.457 -5.441 -5.627 1.00 0.00 H new ATOM 0 HA ARG A 67 11.612 -8.348 -5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 67 12.940 -5.905 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.772 -7.304 -3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.129 -8.670 -4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.795 -7.734 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 67 16.092 -7.266 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.121 -5.820 -4.900 1.00 0.00 H new ATOM 0 HE ARG A 67 14.991 -6.282 -2.463 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.867 -6.783 -4.130 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.631 -7.811 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.702 -8.193 -1.041 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.415 -8.602 -1.178 1.00 0.00 H new ATOM 999 N VAL A 68 9.164 -7.071 -4.202 1.00 0.00 N ATOM 1000 CA VAL A 68 8.003 -7.071 -3.314 1.00 0.00 C ATOM 1001 C VAL A 68 7.515 -8.502 -3.083 1.00 0.00 C ATOM 1002 O VAL A 68 7.372 -9.283 -4.023 1.00 0.00 O ATOM 1003 CB VAL A 68 6.869 -6.216 -3.910 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.381 -6.822 -5.231 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.697 -6.149 -2.927 1.00 0.00 C ATOM 0 H VAL A 68 8.963 -6.811 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 68 8.299 -6.640 -2.358 1.00 0.00 H new ATOM 0 HB VAL A 68 7.253 -5.213 -4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.580 -6.206 -5.640 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.207 -6.860 -5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.009 -7.831 -5.053 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.898 -5.543 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.326 -7.156 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.032 -5.701 -1.992 1.00 0.00 H new ATOM 1015 N ASP A 69 7.264 -8.834 -1.820 1.00 0.00 N ATOM 1016 CA ASP A 69 6.796 -10.174 -1.475 1.00 0.00 C ATOM 1017 C ASP A 69 5.300 -10.162 -1.175 1.00 0.00 C ATOM 1018 O ASP A 69 4.586 -11.121 -1.469 1.00 0.00 O ATOM 1019 CB ASP A 69 7.544 -10.703 -0.250 1.00 0.00 C ATOM 1020 CG ASP A 69 9.040 -10.731 -0.539 1.00 0.00 C ATOM 1021 OD1 ASP A 69 9.594 -9.675 -0.797 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.612 -11.808 -0.499 1.00 0.00 O ATOM 0 H ASP A 69 7.375 -8.203 -1.026 1.00 0.00 H new ATOM 0 HA ASP A 69 6.988 -10.824 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.342 -10.070 0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.192 -11.704 -0.001 1.00 0.00 H new ATOM 1027 N THR A 70 4.833 -9.067 -0.583 1.00 0.00 N ATOM 1028 CA THR A 70 3.418 -8.943 -0.243 1.00 0.00 C ATOM 1029 C THR A 70 2.747 -7.863 -1.099 1.00 0.00 C ATOM 1030 O THR A 70 3.418 -6.965 -1.609 1.00 0.00 O ATOM 1031 CB THR A 70 3.254 -8.577 1.233 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.340 -7.754 1.638 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.233 -9.850 2.080 1.00 0.00 C ATOM 0 H THR A 70 5.405 -8.261 -0.331 1.00 0.00 H new ATOM 0 HA THR A 70 2.943 -9.905 -0.438 1.00 0.00 H new ATOM 0 HB THR A 70 2.317 -8.038 1.371 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.236 -7.517 2.583 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.116 -9.586 3.131 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.400 -10.480 1.769 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.168 -10.393 1.944 1.00 0.00 H new ATOM 1041 N PRO A 71 1.416 -7.929 -1.267 1.00 0.00 N ATOM 1042 CA PRO A 71 0.680 -6.932 -2.068 1.00 0.00 C ATOM 1043 C PRO A 71 0.433 -5.640 -1.294 1.00 0.00 C ATOM 1044 O PRO A 71 0.591 -4.540 -1.822 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.631 -7.649 -2.363 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.820 -8.695 -1.271 1.00 0.00 C ATOM 1047 CD PRO A 71 0.560 -8.985 -0.675 1.00 0.00 C ATOM 0 HA PRO A 71 1.225 -6.620 -2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.463 -6.945 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.601 -8.118 -3.346 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.501 -8.330 -0.503 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.260 -9.604 -1.681 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.548 -8.930 0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.911 -9.983 -0.939 1.00 0.00 H new ATOM 1055 N ARG A 72 0.050 -5.791 -0.028 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.211 -4.635 0.828 1.00 0.00 C ATOM 1057 C ARG A 72 1.035 -3.755 0.949 1.00 0.00 C ATOM 1058 O ARG A 72 0.939 -2.566 1.248 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.633 -5.091 2.226 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.311 -3.931 2.959 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.814 -3.959 2.678 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.556 -3.343 3.775 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.873 -3.497 3.881 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.669 -2.919 3.023 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.371 -4.226 4.842 1.00 0.00 N ATOM 0 H ARG A 72 -0.086 -6.695 0.425 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.015 -4.059 0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.316 -5.938 2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.237 -5.431 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.129 -4.008 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.887 -2.982 2.631 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -3.025 -3.431 1.748 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.144 -4.989 2.542 1.00 0.00 H new ATOM 0 HE ARG A 72 -3.057 -2.787 4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.281 -2.349 2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.679 -3.037 3.104 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.750 -4.679 5.513 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.381 -4.343 4.922 1.00 0.00 H new ATOM 1079 N GLU A 73 2.205 -4.351 0.715 1.00 0.00 N ATOM 1080 CA GLU A 73 3.459 -3.605 0.803 1.00 0.00 C ATOM 1081 C GLU A 73 3.608 -2.670 -0.393 1.00 0.00 C ATOM 1082 O GLU A 73 4.106 -1.553 -0.266 1.00 0.00 O ATOM 1083 CB GLU A 73 4.649 -4.566 0.836 1.00 0.00 C ATOM 1084 CG GLU A 73 5.930 -3.785 1.137 1.00 0.00 C ATOM 1085 CD GLU A 73 6.979 -4.730 1.712 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.423 -5.603 0.984 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.324 -4.566 2.870 1.00 0.00 O ATOM 0 H GLU A 73 2.310 -5.335 0.466 1.00 0.00 H new ATOM 0 HA GLU A 73 3.439 -3.018 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.491 -5.331 1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.741 -5.080 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.306 -3.318 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.721 -2.982 1.844 1.00 0.00 H new ATOM 1094 N LEU A 74 3.168 -3.142 -1.558 1.00 0.00 N ATOM 1095 CA LEU A 74 3.256 -2.342 -2.781 1.00 0.00 C ATOM 1096 C LEU A 74 2.479 -1.036 -2.623 1.00 0.00 C ATOM 1097 O LEU A 74 2.993 0.048 -2.904 1.00 0.00 O ATOM 1098 CB LEU A 74 2.692 -3.126 -3.970 1.00 0.00 C ATOM 1099 CG LEU A 74 3.461 -2.758 -5.239 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.748 -3.583 -5.312 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.595 -3.062 -6.463 1.00 0.00 C ATOM 0 H LEU A 74 2.751 -4.064 -1.682 1.00 0.00 H new ATOM 0 HA LEU A 74 4.306 -2.114 -2.963 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.771 -4.197 -3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.633 -2.902 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 74 3.708 -1.697 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.297 -3.321 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.365 -3.372 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.499 -4.644 -5.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.141 -2.800 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.350 -4.124 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.676 -2.479 -6.412 1.00 0.00 H new ATOM 1113 N LEU A 75 1.236 -1.152 -2.161 1.00 0.00 N ATOM 1114 CA LEU A 75 0.391 0.024 -1.956 1.00 0.00 C ATOM 1115 C LEU A 75 1.028 0.957 -0.927 1.00 0.00 C ATOM 1116 O LEU A 75 1.132 2.157 -1.146 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.002 -0.409 -1.473 1.00 0.00 C ATOM 1118 CG LEU A 75 -1.898 0.809 -1.200 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.627 1.212 -2.480 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.920 0.443 -0.127 1.00 0.00 C ATOM 0 H LEU A 75 0.794 -2.040 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 75 0.293 0.555 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.469 -1.046 -2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.906 -1.004 -0.565 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.285 1.644 -0.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.261 2.076 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.898 1.466 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.243 0.382 -2.825 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.561 1.302 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.530 -0.391 -0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.401 0.157 0.788 1.00 0.00 H new ATOM 1132 N ASP A 76 1.434 0.396 0.204 1.00 0.00 N ATOM 1133 CA ASP A 76 2.047 1.200 1.260 1.00 0.00 C ATOM 1134 C ASP A 76 3.435 1.711 0.853 1.00 0.00 C ATOM 1135 O ASP A 76 4.019 2.548 1.542 1.00 0.00 O ATOM 1136 CB ASP A 76 2.181 0.378 2.544 1.00 0.00 C ATOM 1137 CG ASP A 76 2.202 1.313 3.747 1.00 0.00 C ATOM 1138 OD1 ASP A 76 3.125 2.106 3.841 1.00 0.00 O ATOM 1139 OD2 ASP A 76 1.295 1.224 4.558 1.00 0.00 O ATOM 0 H ASP A 76 1.353 -0.599 0.415 1.00 0.00 H new ATOM 0 HA ASP A 76 1.395 2.057 1.429 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.350 -0.322 2.629 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.095 -0.215 2.515 1.00 0.00 H new ATOM 1144 N LEU A 77 3.966 1.204 -0.262 1.00 0.00 N ATOM 1145 CA LEU A 77 5.289 1.628 -0.721 1.00 0.00 C ATOM 1146 C LEU A 77 5.205 2.928 -1.518 1.00 0.00 C ATOM 1147 O LEU A 77 5.776 3.948 -1.130 1.00 0.00 O ATOM 1148 CB LEU A 77 5.921 0.548 -1.601 1.00 0.00 C ATOM 1149 CG LEU A 77 7.398 0.870 -1.822 1.00 0.00 C ATOM 1150 CD1 LEU A 77 8.171 0.635 -0.522 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.960 -0.040 -2.917 1.00 0.00 C ATOM 0 H LEU A 77 3.509 0.511 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 77 5.905 1.791 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.818 -0.428 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.402 0.494 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 77 7.501 1.912 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.225 0.864 -0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.772 1.280 0.260 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.068 -0.407 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.014 0.189 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.857 -1.082 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.410 0.124 -3.844 1.00 0.00 H new ATOM 1163 N ILE A 78 4.494 2.881 -2.643 1.00 0.00 N ATOM 1164 CA ILE A 78 4.352 4.062 -3.495 1.00 0.00 C ATOM 1165 C ILE A 78 3.482 5.113 -2.808 1.00 0.00 C ATOM 1166 O ILE A 78 3.743 6.311 -2.893 1.00 0.00 O ATOM 1167 CB ILE A 78 3.717 3.679 -4.839 1.00 0.00 C ATOM 1168 CG1 ILE A 78 4.563 2.590 -5.514 1.00 0.00 C ATOM 1169 CG2 ILE A 78 3.650 4.908 -5.751 1.00 0.00 C ATOM 1170 CD1 ILE A 78 3.939 1.216 -5.256 1.00 0.00 C ATOM 0 H ILE A 78 4.012 2.049 -2.984 1.00 0.00 H new ATOM 0 HA ILE A 78 5.345 4.475 -3.670 1.00 0.00 H new ATOM 0 HB ILE A 78 2.709 3.304 -4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.624 2.776 -6.586 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.582 2.616 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.198 4.630 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.047 5.682 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.657 5.288 -5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.543 0.446 -5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.901 1.029 -4.183 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.929 1.193 -5.664 1.00 0.00 H new ATOM 1182 N ASN A 79 2.443 4.641 -2.139 1.00 0.00 N ATOM 1183 CA ASN A 79 1.518 5.529 -1.438 1.00 0.00 C ATOM 1184 C ASN A 79 2.174 6.130 -0.197 1.00 0.00 C ATOM 1185 O ASN A 79 1.825 7.229 0.233 1.00 0.00 O ATOM 1186 CB ASN A 79 0.266 4.761 -1.008 1.00 0.00 C ATOM 1187 CG ASN A 79 -0.807 5.735 -0.527 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -0.662 6.952 -0.653 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -1.892 5.262 0.024 1.00 0.00 N ATOM 0 H ASN A 79 2.215 3.650 -2.064 1.00 0.00 H new ATOM 0 HA ASN A 79 1.244 6.330 -2.125 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.114 4.172 -1.843 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.515 4.060 -0.211 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.618 5.900 0.350 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.013 4.255 0.129 1.00 0.00 H new ATOM 1196 N GLY A 80 3.120 5.393 0.380 1.00 0.00 N ATOM 1197 CA GLY A 80 3.811 5.862 1.578 1.00 0.00 C ATOM 1198 C GLY A 80 4.725 7.040 1.258 1.00 0.00 C ATOM 1199 O GLY A 80 4.611 8.113 1.849 1.00 0.00 O ATOM 0 H GLY A 80 3.423 4.479 0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 80 3.080 6.158 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.397 5.049 2.006 1.00 0.00 H new ATOM 1203 N ALA A 81 5.641 6.825 0.317 1.00 0.00 N ATOM 1204 CA ALA A 81 6.582 7.872 -0.075 1.00 0.00 C ATOM 1205 C ALA A 81 5.840 9.091 -0.618 1.00 0.00 C ATOM 1206 O ALA A 81 6.197 10.233 -0.328 1.00 0.00 O ATOM 1207 CB ALA A 81 7.538 7.350 -1.150 1.00 0.00 C ATOM 0 H ALA A 81 5.752 5.944 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 81 7.148 8.162 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.234 8.140 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.095 6.499 -0.759 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.967 7.039 -2.025 1.00 0.00 H new ATOM 1213 N LEU A 82 4.808 8.833 -1.413 1.00 0.00 N ATOM 1214 CA LEU A 82 4.017 9.911 -2.003 1.00 0.00 C ATOM 1215 C LEU A 82 3.302 10.707 -0.914 1.00 0.00 C ATOM 1216 O LEU A 82 3.099 11.914 -1.039 1.00 0.00 O ATOM 1217 CB LEU A 82 2.977 9.344 -2.975 1.00 0.00 C ATOM 1218 CG LEU A 82 3.552 9.332 -4.394 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.666 8.470 -5.299 1.00 0.00 C ATOM 1220 CD2 LEU A 82 3.595 10.764 -4.936 1.00 0.00 C ATOM 0 H LEU A 82 4.499 7.894 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 82 4.697 10.569 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.698 8.333 -2.676 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.069 9.947 -2.945 1.00 0.00 H new ATOM 0 HG LEU A 82 4.560 8.918 -4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.076 8.462 -6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.633 7.451 -4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.657 8.882 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.004 10.759 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.586 11.176 -4.955 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.225 11.378 -4.293 1.00 0.00 H new ATOM 1232 N ALA A 83 2.920 10.016 0.157 1.00 0.00 N ATOM 1233 CA ALA A 83 2.227 10.666 1.265 1.00 0.00 C ATOM 1234 C ALA A 83 3.124 11.717 1.908 1.00 0.00 C ATOM 1235 O ALA A 83 2.672 12.802 2.273 1.00 0.00 O ATOM 1236 CB ALA A 83 1.822 9.637 2.322 1.00 0.00 C ATOM 0 H ALA A 83 3.077 9.016 0.281 1.00 0.00 H new ATOM 0 HA ALA A 83 1.332 11.146 0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.307 10.140 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.158 8.898 1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.713 9.139 2.705 1.00 0.00 H new ATOM 1242 N GLU A 84 4.405 11.383 2.038 1.00 0.00 N ATOM 1243 CA GLU A 84 5.367 12.306 2.636 1.00 0.00 C ATOM 1244 C GLU A 84 5.508 13.557 1.775 1.00 0.00 C ATOM 1245 O GLU A 84 5.757 14.651 2.280 1.00 0.00 O ATOM 1246 CB GLU A 84 6.736 11.636 2.770 1.00 0.00 C ATOM 1247 CG GLU A 84 6.666 10.543 3.838 1.00 0.00 C ATOM 1248 CD GLU A 84 8.000 9.808 3.902 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.460 9.361 2.864 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.543 9.702 4.989 1.00 0.00 O ATOM 0 H GLU A 84 4.799 10.490 1.741 1.00 0.00 H new ATOM 0 HA GLU A 84 5.000 12.584 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.038 11.207 1.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.490 12.375 3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.434 10.982 4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.864 9.843 3.605 1.00 0.00 H new ATOM 1257 N ALA A 85 5.346 13.382 0.466 1.00 0.00 N ATOM 1258 CA ALA A 85 5.456 14.502 -0.463 1.00 0.00 C ATOM 1259 C ALA A 85 4.069 15.022 -0.837 1.00 0.00 C ATOM 1260 O ALA A 85 3.814 15.396 -1.983 1.00 0.00 O ATOM 1261 CB ALA A 85 6.191 14.069 -1.735 1.00 0.00 C ATOM 0 H ALA A 85 5.140 12.484 0.028 1.00 0.00 H new ATOM 0 HA ALA A 85 6.019 15.296 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.265 14.915 -2.418 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.192 13.722 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.640 13.261 -2.216 1.00 0.00 H new ATOM 1267 N ALA A 86 3.174 15.040 0.147 1.00 0.00 N ATOM 1268 CA ALA A 86 1.812 15.514 -0.084 1.00 0.00 C ATOM 1269 C ALA A 86 1.634 16.919 0.484 1.00 0.00 C ATOM 1270 O ALA A 86 0.814 17.651 -0.044 1.00 0.00 O ATOM 1271 CB ALA A 86 0.799 14.578 0.579 1.00 0.00 C ATOM 1272 OXT ALA A 86 2.321 17.242 1.439 1.00 0.00 O ATOM 0 H ALA A 86 3.364 14.736 1.102 1.00 0.00 H new ATOM 0 HA ALA A 86 1.640 15.531 -1.160 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.210 14.947 0.397 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.901 13.577 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.984 14.543 1.653 1.00 0.00 H new