USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 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 180:sc= 0.739 USER MOD Set 1.2: A 48 THR OG1 : rot -68:sc= 0.995 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 160:sc= -0.027 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= -0.516 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -1.04 USER MOD Single : A 79 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 44 N LEU A 4 -4.289 9.628 -1.469 1.00 0.00 N ATOM 45 CA LEU A 4 -5.290 9.416 -2.514 1.00 0.00 C ATOM 46 C LEU A 4 -5.208 8.001 -3.084 1.00 0.00 C ATOM 47 O LEU A 4 -5.579 7.761 -4.233 1.00 0.00 O ATOM 48 CB LEU A 4 -5.139 10.427 -3.668 1.00 0.00 C ATOM 49 CG LEU A 4 -3.661 10.732 -4.021 1.00 0.00 C ATOM 50 CD1 LEU A 4 -3.036 11.635 -2.955 1.00 0.00 C ATOM 51 CD2 LEU A 4 -2.839 9.440 -4.150 1.00 0.00 C ATOM 0 HA LEU A 4 -6.261 9.562 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.644 10.038 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -5.641 11.356 -3.397 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.649 11.244 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -1.998 11.841 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.590 12.572 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -3.075 11.136 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -1.807 9.689 -4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -2.864 8.897 -3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.262 8.817 -4.938 1.00 0.00 H new ATOM 63 N LEU A 5 -4.723 7.071 -2.271 1.00 0.00 N ATOM 64 CA LEU A 5 -4.599 5.680 -2.706 1.00 0.00 C ATOM 65 C LEU A 5 -5.102 4.741 -1.610 1.00 0.00 C ATOM 66 O LEU A 5 -4.829 4.943 -0.428 1.00 0.00 O ATOM 67 CB LEU A 5 -3.135 5.348 -3.035 1.00 0.00 C ATOM 68 CG LEU A 5 -3.046 4.689 -4.416 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.302 5.735 -5.501 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.650 4.089 -4.608 1.00 0.00 C ATOM 0 H LEU A 5 -4.411 7.249 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.203 5.545 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.534 6.257 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.725 4.680 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.795 3.900 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.238 5.265 -6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.296 6.162 -5.367 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.555 6.525 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.587 3.620 -5.590 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.902 4.878 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.466 3.341 -3.837 1.00 0.00 H new ATOM 82 N THR A 6 -5.847 3.717 -2.015 1.00 0.00 N ATOM 83 CA THR A 6 -6.388 2.759 -1.052 1.00 0.00 C ATOM 84 C THR A 6 -6.115 1.322 -1.489 1.00 0.00 C ATOM 85 O THR A 6 -5.507 1.071 -2.533 1.00 0.00 O ATOM 86 CB THR A 6 -7.899 2.952 -0.900 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.484 3.122 -2.184 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.174 4.189 -0.044 1.00 0.00 C ATOM 0 H THR A 6 -6.088 3.529 -2.988 1.00 0.00 H new ATOM 0 HA THR A 6 -5.893 2.940 -0.098 1.00 0.00 H new ATOM 0 HB THR A 6 -8.331 2.076 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.452 3.244 -2.089 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.250 4.325 0.063 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.725 4.057 0.940 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.743 5.067 -0.525 1.00 0.00 H new ATOM 96 N THR A 7 -6.585 0.380 -0.674 1.00 0.00 N ATOM 97 CA THR A 7 -6.409 -1.040 -0.969 1.00 0.00 C ATOM 98 C THR A 7 -7.069 -1.386 -2.297 1.00 0.00 C ATOM 99 O THR A 7 -6.460 -2.002 -3.167 1.00 0.00 O ATOM 100 CB THR A 7 -7.030 -1.894 0.141 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.662 -1.360 1.405 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.532 -3.337 0.033 1.00 0.00 C ATOM 0 H THR A 7 -7.088 0.573 0.192 1.00 0.00 H new ATOM 0 HA THR A 7 -5.341 -1.249 -1.030 1.00 0.00 H new ATOM 0 HB THR A 7 -8.115 -1.883 0.037 1.00 0.00 H new ATOM 0 HG1 THR A 7 -7.287 -1.679 2.089 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.979 -3.936 0.826 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.815 -3.748 -0.936 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.447 -3.356 0.132 1.00 0.00 H new ATOM 110 N ASP A 8 -8.321 -0.962 -2.452 1.00 0.00 N ATOM 111 CA ASP A 8 -9.052 -1.216 -3.694 1.00 0.00 C ATOM 112 C ASP A 8 -8.277 -0.667 -4.895 1.00 0.00 C ATOM 113 O ASP A 8 -8.424 -1.147 -6.019 1.00 0.00 O ATOM 114 CB ASP A 8 -10.432 -0.555 -3.649 1.00 0.00 C ATOM 115 CG ASP A 8 -11.326 -1.168 -4.722 1.00 0.00 C ATOM 116 OD1 ASP A 8 -10.946 -1.122 -5.879 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.378 -1.676 -4.369 1.00 0.00 O ATOM 0 H ASP A 8 -8.846 -0.448 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.169 -2.295 -3.799 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -10.881 -0.692 -2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.338 0.519 -3.809 1.00 0.00 H new ATOM 122 N ASP A 9 -7.442 0.344 -4.639 1.00 0.00 N ATOM 123 CA ASP A 9 -6.642 0.950 -5.698 1.00 0.00 C ATOM 124 C ASP A 9 -5.553 -0.012 -6.164 1.00 0.00 C ATOM 125 O ASP A 9 -5.351 -0.200 -7.363 1.00 0.00 O ATOM 126 CB ASP A 9 -5.986 2.241 -5.205 1.00 0.00 C ATOM 127 CG ASP A 9 -5.443 3.023 -6.395 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.299 2.795 -6.756 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.178 3.837 -6.930 1.00 0.00 O ATOM 0 H ASP A 9 -7.305 0.755 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.308 1.176 -6.531 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.712 2.845 -4.660 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.179 2.009 -4.510 1.00 0.00 H new ATOM 134 N LEU A 10 -4.847 -0.620 -5.207 1.00 0.00 N ATOM 135 CA LEU A 10 -3.777 -1.559 -5.560 1.00 0.00 C ATOM 136 C LEU A 10 -4.346 -2.727 -6.376 1.00 0.00 C ATOM 137 O LEU A 10 -3.691 -3.260 -7.273 1.00 0.00 O ATOM 138 CB LEU A 10 -3.041 -2.063 -4.289 1.00 0.00 C ATOM 139 CG LEU A 10 -3.727 -3.295 -3.665 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.144 -4.566 -4.283 1.00 0.00 C ATOM 141 CD2 LEU A 10 -3.482 -3.313 -2.157 1.00 0.00 C ATOM 0 H LEU A 10 -4.990 -0.485 -4.206 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.045 -1.038 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.011 -2.313 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.001 -1.260 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.799 -3.247 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.627 -5.439 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.316 -4.559 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.073 -4.607 -4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.968 -4.185 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.410 -3.360 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.892 -2.407 -1.711 1.00 0.00 H new ATOM 153 N ARG A 11 -5.576 -3.109 -6.045 1.00 0.00 N ATOM 154 CA ARG A 11 -6.241 -4.209 -6.739 1.00 0.00 C ATOM 155 C ARG A 11 -6.474 -3.853 -8.203 1.00 0.00 C ATOM 156 O ARG A 11 -6.203 -4.649 -9.101 1.00 0.00 O ATOM 157 CB ARG A 11 -7.591 -4.513 -6.077 1.00 0.00 C ATOM 158 CG ARG A 11 -7.813 -6.028 -6.025 1.00 0.00 C ATOM 159 CD ARG A 11 -9.179 -6.322 -5.404 1.00 0.00 C ATOM 160 NE ARG A 11 -10.252 -5.966 -6.329 1.00 0.00 N ATOM 161 CZ ARG A 11 -11.393 -5.445 -5.886 1.00 0.00 C ATOM 162 NH1 ARG A 11 -11.439 -4.196 -5.515 1.00 0.00 N ATOM 163 NH2 ARG A 11 -12.468 -6.184 -5.823 1.00 0.00 N ATOM 0 H ARG A 11 -6.130 -2.677 -5.306 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.598 -5.087 -6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.614 -4.098 -5.069 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.396 -4.037 -6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.760 -6.449 -7.029 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.026 -6.502 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.248 -7.379 -5.148 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.291 -5.761 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.124 -6.119 -7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.600 -3.618 -5.564 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.314 -3.797 -5.175 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.433 -7.161 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.343 -5.784 -5.483 1.00 0.00 H new ATOM 177 N ARG A 12 -6.987 -2.647 -8.430 1.00 0.00 N ATOM 178 CA ARG A 12 -7.264 -2.185 -9.788 1.00 0.00 C ATOM 179 C ARG A 12 -5.988 -2.168 -10.626 1.00 0.00 C ATOM 180 O ARG A 12 -6.015 -2.433 -11.828 1.00 0.00 O ATOM 181 CB ARG A 12 -7.860 -0.776 -9.764 1.00 0.00 C ATOM 182 CG ARG A 12 -8.680 -0.547 -11.036 1.00 0.00 C ATOM 183 CD ARG A 12 -8.647 0.936 -11.410 1.00 0.00 C ATOM 184 NE ARG A 12 -9.944 1.364 -11.928 1.00 0.00 N ATOM 185 CZ ARG A 12 -10.839 1.946 -11.135 1.00 0.00 C ATOM 186 NH1 ARG A 12 -10.642 3.163 -10.711 1.00 0.00 N ATOM 187 NH2 ARG A 12 -11.917 1.298 -10.782 1.00 0.00 N ATOM 0 H ARG A 12 -7.218 -1.976 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.979 -2.877 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.491 -0.652 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.064 -0.034 -9.693 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.278 -1.147 -11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.709 -0.870 -10.880 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.384 1.531 -10.536 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.874 1.111 -12.159 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.166 1.214 -12.912 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.801 3.670 -10.987 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.329 3.609 -10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.072 0.346 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.604 1.744 -10.174 1.00 0.00 H new ATOM 201 N ALA A 13 -4.870 -1.855 -9.979 1.00 0.00 N ATOM 202 CA ALA A 13 -3.587 -1.810 -10.676 1.00 0.00 C ATOM 203 C ALA A 13 -3.128 -3.218 -11.041 1.00 0.00 C ATOM 204 O ALA A 13 -2.459 -3.427 -12.053 1.00 0.00 O ATOM 205 CB ALA A 13 -2.522 -1.153 -9.794 1.00 0.00 C ATOM 0 H ALA A 13 -4.824 -1.631 -8.985 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.719 -1.224 -11.585 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.572 -1.127 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.829 -0.136 -9.550 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.406 -1.727 -8.875 1.00 0.00 H new ATOM 211 N LEU A 14 -3.496 -4.182 -10.202 1.00 0.00 N ATOM 212 CA LEU A 14 -3.118 -5.574 -10.437 1.00 0.00 C ATOM 213 C LEU A 14 -4.016 -6.220 -11.497 1.00 0.00 C ATOM 214 O LEU A 14 -3.645 -7.221 -12.110 1.00 0.00 O ATOM 215 CB LEU A 14 -3.222 -6.375 -9.138 1.00 0.00 C ATOM 216 CG LEU A 14 -1.929 -6.215 -8.327 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.268 -6.053 -6.842 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.049 -7.455 -8.514 1.00 0.00 C ATOM 0 H LEU A 14 -4.051 -4.028 -9.360 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.089 -5.582 -10.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.075 -6.029 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.395 -7.428 -9.361 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.394 -5.332 -8.676 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.348 -5.940 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.892 -5.170 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.806 -6.934 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.131 -7.340 -7.938 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.586 -8.338 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.803 -7.570 -9.569 1.00 0.00 H new ATOM 230 N VAL A 15 -5.201 -5.645 -11.704 1.00 0.00 N ATOM 231 CA VAL A 15 -6.137 -6.185 -12.689 1.00 0.00 C ATOM 232 C VAL A 15 -5.862 -5.596 -14.074 1.00 0.00 C ATOM 233 O VAL A 15 -6.133 -6.228 -15.094 1.00 0.00 O ATOM 234 CB VAL A 15 -7.583 -5.870 -12.287 1.00 0.00 C ATOM 235 CG1 VAL A 15 -8.550 -6.575 -13.243 1.00 0.00 C ATOM 236 CG2 VAL A 15 -7.839 -6.359 -10.858 1.00 0.00 C ATOM 0 H VAL A 15 -5.532 -4.816 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.998 -7.266 -12.723 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.741 -4.793 -12.338 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.576 -6.349 -12.954 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.374 -6.227 -14.261 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.388 -7.652 -13.195 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.867 -6.134 -10.575 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.676 -7.436 -10.807 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.156 -5.856 -10.173 1.00 0.00 H new ATOM 246 N GLU A 16 -5.327 -4.375 -14.099 1.00 0.00 N ATOM 247 CA GLU A 16 -5.024 -3.708 -15.366 1.00 0.00 C ATOM 248 C GLU A 16 -4.083 -4.554 -16.223 1.00 0.00 C ATOM 249 O GLU A 16 -4.091 -4.462 -17.451 1.00 0.00 O ATOM 250 CB GLU A 16 -4.374 -2.347 -15.110 1.00 0.00 C ATOM 251 CG GLU A 16 -5.459 -1.305 -14.833 1.00 0.00 C ATOM 252 CD GLU A 16 -5.985 -0.755 -16.155 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.255 -1.550 -17.039 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.111 0.454 -16.262 1.00 0.00 O ATOM 0 H GLU A 16 -5.097 -3.832 -13.267 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.965 -3.573 -15.899 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.693 -2.412 -14.262 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.780 -2.048 -15.974 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.273 -1.754 -14.264 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.054 -0.496 -14.225 1.00 0.00 H new ATOM 261 N CYS A 17 -3.270 -5.379 -15.564 1.00 0.00 N ATOM 262 CA CYS A 17 -2.327 -6.236 -16.279 1.00 0.00 C ATOM 263 C CYS A 17 -3.069 -7.193 -17.209 1.00 0.00 C ATOM 264 O CYS A 17 -2.663 -7.409 -18.351 1.00 0.00 O ATOM 265 CB CYS A 17 -1.491 -7.052 -15.291 1.00 0.00 C ATOM 266 SG CYS A 17 -0.561 -5.929 -14.219 1.00 0.00 S ATOM 0 H CYS A 17 -3.245 -5.471 -14.549 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.672 -5.594 -16.868 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.139 -7.692 -14.691 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.807 -7.707 -15.831 1.00 0.00 H new ATOM 0 HG CYS A 17 0.148 -6.621 -13.377 1.00 0.00 H new ATOM 272 N ALA A 18 -4.161 -7.761 -16.708 1.00 0.00 N ATOM 273 CA ALA A 18 -4.956 -8.694 -17.503 1.00 0.00 C ATOM 274 C ALA A 18 -6.336 -8.109 -17.787 1.00 0.00 C ATOM 275 O ALA A 18 -6.648 -7.737 -18.918 1.00 0.00 O ATOM 276 CB ALA A 18 -5.119 -10.025 -16.764 1.00 0.00 C ATOM 0 H ALA A 18 -4.514 -7.595 -15.766 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.433 -8.865 -18.444 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.714 -10.708 -17.371 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.137 -10.463 -16.582 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.622 -9.854 -15.812 1.00 0.00 H new ATOM 400 N ASP A 29 -10.605 -11.718 1.456 1.00 0.00 N ATOM 401 CA ASP A 29 -9.390 -10.911 1.480 1.00 0.00 C ATOM 402 C ASP A 29 -8.497 -11.264 0.296 1.00 0.00 C ATOM 403 O ASP A 29 -8.732 -12.247 -0.407 1.00 0.00 O ATOM 404 CB ASP A 29 -8.616 -11.146 2.777 1.00 0.00 C ATOM 405 CG ASP A 29 -9.468 -10.711 3.965 1.00 0.00 C ATOM 406 OD1 ASP A 29 -10.368 -11.452 4.325 1.00 0.00 O ATOM 407 OD2 ASP A 29 -9.208 -9.644 4.496 1.00 0.00 O ATOM 0 HA ASP A 29 -9.680 -9.862 1.418 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.354 -12.200 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.681 -10.585 2.762 1.00 0.00 H new ATOM 412 N PHE A 30 -7.470 -10.449 0.082 1.00 0.00 N ATOM 413 CA PHE A 30 -6.544 -10.682 -1.022 1.00 0.00 C ATOM 414 C PHE A 30 -5.160 -10.128 -0.693 1.00 0.00 C ATOM 415 O PHE A 30 -4.417 -9.704 -1.579 1.00 0.00 O ATOM 416 CB PHE A 30 -7.075 -10.037 -2.312 1.00 0.00 C ATOM 417 CG PHE A 30 -7.061 -8.519 -2.219 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.822 -7.859 -1.243 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.289 -7.776 -3.122 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.807 -6.460 -1.174 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.277 -6.379 -3.051 1.00 0.00 C ATOM 422 CZ PHE A 30 -7.037 -5.721 -2.078 1.00 0.00 C ATOM 0 H PHE A 30 -7.258 -9.629 0.651 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.460 -11.758 -1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.467 -10.357 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.091 -10.382 -2.502 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.419 -8.429 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.702 -8.283 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.391 -5.951 -0.421 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.681 -5.808 -3.748 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.029 -4.642 -2.025 1.00 0.00 H new ATOM 432 N LEU A 31 -4.829 -10.126 0.592 1.00 0.00 N ATOM 433 CA LEU A 31 -3.537 -9.612 1.029 1.00 0.00 C ATOM 434 C LEU A 31 -2.861 -10.589 1.986 1.00 0.00 C ATOM 435 O LEU A 31 -2.134 -10.191 2.896 1.00 0.00 O ATOM 436 CB LEU A 31 -3.717 -8.257 1.709 1.00 0.00 C ATOM 437 CG LEU A 31 -4.322 -7.281 0.700 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.929 -6.080 1.431 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.228 -6.809 -0.262 1.00 0.00 C ATOM 0 H LEU A 31 -5.429 -10.470 1.342 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.900 -9.492 0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.367 -8.354 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.758 -7.884 2.068 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.110 -7.782 0.138 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.358 -5.390 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.710 -6.424 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.152 -5.570 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.654 -6.112 -0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.439 -6.311 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.811 -7.668 -0.789 1.00 0.00 H new ATOM 451 N ASP A 32 -3.105 -11.874 1.755 1.00 0.00 N ATOM 452 CA ASP A 32 -2.512 -12.921 2.582 1.00 0.00 C ATOM 453 C ASP A 32 -1.611 -13.806 1.726 1.00 0.00 C ATOM 454 O ASP A 32 -0.507 -14.173 2.129 1.00 0.00 O ATOM 455 CB ASP A 32 -3.602 -13.782 3.223 1.00 0.00 C ATOM 456 CG ASP A 32 -3.944 -13.229 4.603 1.00 0.00 C ATOM 457 OD1 ASP A 32 -4.243 -12.050 4.690 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.903 -13.995 5.553 1.00 0.00 O ATOM 0 H ASP A 32 -3.707 -12.216 1.006 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.925 -12.448 3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.491 -13.790 2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.262 -14.814 3.308 1.00 0.00 H new ATOM 463 N LEU A 33 -2.099 -14.137 0.533 1.00 0.00 N ATOM 464 CA LEU A 33 -1.343 -14.974 -0.392 1.00 0.00 C ATOM 465 C LEU A 33 -1.548 -14.478 -1.825 1.00 0.00 C ATOM 466 O LEU A 33 -2.069 -15.193 -2.684 1.00 0.00 O ATOM 467 CB LEU A 33 -1.798 -16.433 -0.285 1.00 0.00 C ATOM 468 CG LEU A 33 -0.615 -17.362 -0.561 1.00 0.00 C ATOM 469 CD1 LEU A 33 0.336 -17.351 0.637 1.00 0.00 C ATOM 470 CD2 LEU A 33 -1.129 -18.785 -0.790 1.00 0.00 C ATOM 0 H LEU A 33 -3.011 -13.839 0.186 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.286 -14.913 -0.133 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.201 -16.627 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.600 -16.627 -0.997 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.083 -17.018 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.179 -18.014 0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.702 -16.338 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.194 -17.694 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.287 -19.449 -0.987 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.661 -19.127 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.806 -18.794 -1.644 1.00 0.00 H new ATOM 482 N ARG A 34 -1.138 -13.235 -2.069 1.00 0.00 N ATOM 483 CA ARG A 34 -1.287 -12.640 -3.396 1.00 0.00 C ATOM 484 C ARG A 34 0.016 -12.743 -4.185 1.00 0.00 C ATOM 485 O ARG A 34 0.091 -13.445 -5.194 1.00 0.00 O ATOM 486 CB ARG A 34 -1.694 -11.167 -3.277 1.00 0.00 C ATOM 487 CG ARG A 34 -2.158 -10.653 -4.643 1.00 0.00 C ATOM 488 CD ARG A 34 -3.488 -11.312 -5.019 1.00 0.00 C ATOM 489 NE ARG A 34 -4.384 -10.342 -5.643 1.00 0.00 N ATOM 490 CZ ARG A 34 -4.373 -10.145 -6.957 1.00 0.00 C ATOM 491 NH1 ARG A 34 -3.351 -9.561 -7.522 1.00 0.00 N ATOM 492 NH2 ARG A 34 -5.384 -10.535 -7.684 1.00 0.00 N ATOM 0 H ARG A 34 -0.705 -12.626 -1.375 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.066 -13.189 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.494 -11.058 -2.545 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -0.852 -10.574 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.273 -9.570 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.405 -10.873 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.308 -12.142 -5.703 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.958 -11.729 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.029 -9.807 -5.061 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.560 -9.256 -6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.343 -9.410 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.183 -10.991 -7.244 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.375 -10.384 -8.693 1.00 0.00 H new ATOM 506 N PHE A 35 1.042 -12.036 -3.719 1.00 0.00 N ATOM 507 CA PHE A 35 2.339 -12.059 -4.396 1.00 0.00 C ATOM 508 C PHE A 35 3.031 -13.401 -4.179 1.00 0.00 C ATOM 509 O PHE A 35 3.756 -13.890 -5.045 1.00 0.00 O ATOM 510 CB PHE A 35 3.243 -10.944 -3.868 1.00 0.00 C ATOM 511 CG PHE A 35 2.911 -9.644 -4.561 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.678 -9.024 -4.326 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.837 -9.053 -5.431 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.372 -7.814 -4.959 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.528 -7.845 -6.061 1.00 0.00 C ATOM 516 CZ PHE A 35 2.298 -7.225 -5.827 1.00 0.00 C ATOM 0 H PHE A 35 1.004 -11.447 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 35 2.162 -11.908 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.112 -10.836 -2.791 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.289 -11.200 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.963 -9.479 -3.656 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.788 -9.531 -5.614 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.421 -7.335 -4.778 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.242 -7.389 -6.731 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.062 -6.291 -6.316 1.00 0.00 H new ATOM 526 N GLU A 36 2.802 -13.992 -3.010 1.00 0.00 N ATOM 527 CA GLU A 36 3.412 -15.280 -2.689 1.00 0.00 C ATOM 528 C GLU A 36 2.409 -16.410 -2.910 1.00 0.00 C ATOM 529 O GLU A 36 2.074 -17.163 -1.994 1.00 0.00 O ATOM 530 CB GLU A 36 3.894 -15.302 -1.240 1.00 0.00 C ATOM 531 CG GLU A 36 2.751 -14.889 -0.310 1.00 0.00 C ATOM 532 CD GLU A 36 3.027 -15.409 1.097 1.00 0.00 C ATOM 533 OE1 GLU A 36 3.112 -16.615 1.255 1.00 0.00 O ATOM 534 OE2 GLU A 36 3.149 -14.592 1.996 1.00 0.00 O ATOM 0 H GLU A 36 2.207 -13.606 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 36 4.268 -15.424 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.246 -16.300 -0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.739 -14.624 -1.117 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.654 -13.803 -0.295 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.806 -15.289 -0.678 1.00 0.00 H new ATOM 541 N ASP A 37 1.936 -16.514 -4.143 1.00 0.00 N ATOM 542 CA ASP A 37 0.967 -17.548 -4.496 1.00 0.00 C ATOM 543 C ASP A 37 1.428 -18.315 -5.731 1.00 0.00 C ATOM 544 O ASP A 37 1.712 -19.511 -5.665 1.00 0.00 O ATOM 545 CB ASP A 37 -0.402 -16.925 -4.777 1.00 0.00 C ATOM 546 CG ASP A 37 -1.487 -17.984 -4.612 1.00 0.00 C ATOM 547 OD1 ASP A 37 -1.586 -18.841 -5.474 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.202 -17.921 -3.626 1.00 0.00 O ATOM 0 H ASP A 37 2.203 -15.901 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 37 0.887 -18.235 -3.653 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.583 -16.095 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.427 -16.518 -5.788 1.00 0.00 H new ATOM 553 N ILE A 38 1.496 -17.615 -6.861 1.00 0.00 N ATOM 554 CA ILE A 38 1.923 -18.246 -8.108 1.00 0.00 C ATOM 555 C ILE A 38 3.351 -17.833 -8.463 1.00 0.00 C ATOM 556 O ILE A 38 3.721 -17.780 -9.636 1.00 0.00 O ATOM 557 CB ILE A 38 0.970 -17.865 -9.255 1.00 0.00 C ATOM 558 CG1 ILE A 38 1.037 -16.358 -9.544 1.00 0.00 C ATOM 559 CG2 ILE A 38 -0.462 -18.214 -8.852 1.00 0.00 C ATOM 560 CD1 ILE A 38 0.457 -16.082 -10.933 1.00 0.00 C ATOM 0 H ILE A 38 1.265 -16.625 -6.940 1.00 0.00 H new ATOM 0 HA ILE A 38 1.897 -19.326 -7.967 1.00 0.00 H new ATOM 0 HB ILE A 38 1.268 -18.415 -10.148 1.00 0.00 H new ATOM 0 HG12 ILE A 38 0.478 -15.806 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.069 -16.012 -9.493 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.143 -17.947 -9.660 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.534 -19.284 -8.656 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.732 -17.661 -7.952 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.503 -15.013 -11.141 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.035 -16.623 -11.683 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.581 -16.413 -10.966 1.00 0.00 H new ATOM 572 N GLY A 39 4.147 -17.529 -7.439 1.00 0.00 N ATOM 573 CA GLY A 39 5.526 -17.109 -7.666 1.00 0.00 C ATOM 574 C GLY A 39 5.556 -15.814 -8.471 1.00 0.00 C ATOM 575 O GLY A 39 6.264 -15.702 -9.471 1.00 0.00 O ATOM 0 H GLY A 39 3.866 -17.565 -6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.032 -16.964 -6.711 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.069 -17.890 -8.199 1.00 0.00 H new ATOM 579 N TYR A 40 4.767 -14.840 -8.021 1.00 0.00 N ATOM 580 CA TYR A 40 4.691 -13.550 -8.703 1.00 0.00 C ATOM 581 C TYR A 40 6.065 -12.881 -8.740 1.00 0.00 C ATOM 582 O TYR A 40 6.437 -12.144 -7.828 1.00 0.00 O ATOM 583 CB TYR A 40 3.695 -12.622 -7.981 1.00 0.00 C ATOM 584 CG TYR A 40 2.523 -12.310 -8.885 1.00 0.00 C ATOM 585 CD1 TYR A 40 1.470 -13.226 -9.017 1.00 0.00 C ATOM 586 CD2 TYR A 40 2.492 -11.099 -9.590 1.00 0.00 C ATOM 587 CE1 TYR A 40 0.387 -12.931 -9.855 1.00 0.00 C ATOM 588 CE2 TYR A 40 1.408 -10.806 -10.427 1.00 0.00 C ATOM 589 CZ TYR A 40 0.356 -11.721 -10.559 1.00 0.00 C ATOM 590 OH TYR A 40 -0.712 -11.431 -11.384 1.00 0.00 O ATOM 0 H TYR A 40 4.176 -14.918 -7.194 1.00 0.00 H new ATOM 0 HA TYR A 40 4.350 -13.726 -9.723 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.342 -13.097 -7.066 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.194 -11.698 -7.688 1.00 0.00 H new ATOM 0 HD1 TYR A 40 1.494 -14.159 -8.473 1.00 0.00 H new ATOM 0 HD2 TYR A 40 3.303 -10.393 -9.488 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.424 -13.637 -9.958 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.383 -9.873 -10.971 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.577 -10.552 -11.797 1.00 0.00 H new ATOM 600 N ASP A 41 6.808 -13.142 -9.812 1.00 0.00 N ATOM 601 CA ASP A 41 8.132 -12.555 -9.963 1.00 0.00 C ATOM 602 C ASP A 41 8.004 -11.065 -10.245 1.00 0.00 C ATOM 603 O ASP A 41 6.950 -10.584 -10.660 1.00 0.00 O ATOM 604 CB ASP A 41 8.905 -13.222 -11.110 1.00 0.00 C ATOM 605 CG ASP A 41 8.041 -13.292 -12.373 1.00 0.00 C ATOM 606 OD1 ASP A 41 6.999 -12.658 -12.404 1.00 0.00 O ATOM 607 OD2 ASP A 41 8.441 -13.983 -13.296 1.00 0.00 O ATOM 0 H ASP A 41 6.519 -13.749 -10.579 1.00 0.00 H new ATOM 0 HA ASP A 41 8.681 -12.714 -9.035 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.816 -12.660 -11.317 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.210 -14.226 -10.815 1.00 0.00 H new ATOM 612 N SER A 42 9.087 -10.341 -10.005 1.00 0.00 N ATOM 613 CA SER A 42 9.098 -8.895 -10.225 1.00 0.00 C ATOM 614 C SER A 42 8.725 -8.550 -11.666 1.00 0.00 C ATOM 615 O SER A 42 8.189 -7.478 -11.937 1.00 0.00 O ATOM 616 CB SER A 42 10.481 -8.320 -9.921 1.00 0.00 C ATOM 617 OG SER A 42 10.490 -6.932 -10.224 1.00 0.00 O ATOM 0 H SER A 42 9.967 -10.724 -9.660 1.00 0.00 H new ATOM 0 HA SER A 42 8.359 -8.458 -9.553 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.730 -8.476 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.240 -8.837 -10.509 1.00 0.00 H new ATOM 0 HG SER A 42 11.375 -6.560 -10.029 1.00 0.00 H new ATOM 623 N LEU A 43 9.021 -9.466 -12.585 1.00 0.00 N ATOM 624 CA LEU A 43 8.717 -9.243 -13.998 1.00 0.00 C ATOM 625 C LEU A 43 7.217 -9.037 -14.209 1.00 0.00 C ATOM 626 O LEU A 43 6.799 -8.188 -14.996 1.00 0.00 O ATOM 627 CB LEU A 43 9.175 -10.438 -14.837 1.00 0.00 C ATOM 628 CG LEU A 43 9.244 -10.032 -16.311 1.00 0.00 C ATOM 629 CD1 LEU A 43 10.493 -9.182 -16.550 1.00 0.00 C ATOM 630 CD2 LEU A 43 9.310 -11.289 -17.182 1.00 0.00 C ATOM 0 H LEU A 43 9.466 -10.361 -12.381 1.00 0.00 H new ATOM 0 HA LEU A 43 9.250 -8.346 -14.313 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.152 -10.781 -14.497 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.483 -11.271 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 43 8.357 -9.454 -16.570 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.541 -8.893 -17.600 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.448 -8.287 -15.929 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.381 -9.759 -16.291 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.359 -11.002 -18.232 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.197 -11.866 -16.922 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.420 -11.896 -17.013 1.00 0.00 H new ATOM 642 N ALA A 44 6.415 -9.828 -13.503 1.00 0.00 N ATOM 643 CA ALA A 44 4.962 -9.729 -13.624 1.00 0.00 C ATOM 644 C ALA A 44 4.475 -8.362 -13.154 1.00 0.00 C ATOM 645 O ALA A 44 3.721 -7.683 -13.852 1.00 0.00 O ATOM 646 CB ALA A 44 4.280 -10.815 -12.788 1.00 0.00 C ATOM 0 H ALA A 44 6.741 -10.538 -12.847 1.00 0.00 H new ATOM 0 HA ALA A 44 4.705 -9.862 -14.675 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.198 -10.727 -12.890 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.598 -11.797 -13.138 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.557 -10.696 -11.741 1.00 0.00 H new ATOM 652 N LEU A 45 4.910 -7.969 -11.961 1.00 0.00 N ATOM 653 CA LEU A 45 4.509 -6.676 -11.400 1.00 0.00 C ATOM 654 C LEU A 45 5.478 -5.557 -11.792 1.00 0.00 C ATOM 655 O LEU A 45 5.425 -4.454 -11.245 1.00 0.00 O ATOM 656 CB LEU A 45 4.429 -6.757 -9.877 1.00 0.00 C ATOM 657 CG LEU A 45 5.719 -7.365 -9.299 1.00 0.00 C ATOM 658 CD1 LEU A 45 6.270 -6.466 -8.195 1.00 0.00 C ATOM 659 CD2 LEU A 45 5.422 -8.740 -8.696 1.00 0.00 C ATOM 0 H LEU A 45 5.533 -8.517 -11.367 1.00 0.00 H new ATOM 0 HA LEU A 45 3.528 -6.441 -11.812 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.272 -5.761 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.572 -7.363 -9.584 1.00 0.00 H new ATOM 0 HG LEU A 45 6.448 -7.458 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.183 -6.904 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.490 -5.480 -8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.531 -6.371 -7.400 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.340 -9.165 -8.289 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.685 -8.637 -7.899 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.029 -9.400 -9.470 1.00 0.00 H new ATOM 671 N MET A 46 6.357 -5.845 -12.746 1.00 0.00 N ATOM 672 CA MET A 46 7.328 -4.853 -13.205 1.00 0.00 C ATOM 673 C MET A 46 6.623 -3.734 -13.969 1.00 0.00 C ATOM 674 O MET A 46 6.932 -2.555 -13.798 1.00 0.00 O ATOM 675 CB MET A 46 8.371 -5.504 -14.125 1.00 0.00 C ATOM 676 CG MET A 46 9.757 -4.924 -13.829 1.00 0.00 C ATOM 677 SD MET A 46 10.946 -5.553 -15.040 1.00 0.00 S ATOM 678 CE MET A 46 10.725 -4.249 -16.276 1.00 0.00 C ATOM 0 H MET A 46 6.419 -6.749 -13.214 1.00 0.00 H new ATOM 0 HA MET A 46 7.827 -4.440 -12.328 1.00 0.00 H new ATOM 0 HB2 MET A 46 8.379 -6.584 -13.975 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.109 -5.329 -15.168 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.723 -3.835 -13.868 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.069 -5.197 -12.821 1.00 0.00 H new ATOM 0 HE1 MET A 46 11.377 -4.441 -17.128 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.687 -4.235 -16.609 1.00 0.00 H new ATOM 0 HE3 MET A 46 10.978 -3.284 -15.836 1.00 0.00 H new ATOM 688 N GLU A 47 5.675 -4.121 -14.819 1.00 0.00 N ATOM 689 CA GLU A 47 4.931 -3.147 -15.615 1.00 0.00 C ATOM 690 C GLU A 47 3.906 -2.413 -14.753 1.00 0.00 C ATOM 691 O GLU A 47 3.565 -1.261 -15.020 1.00 0.00 O ATOM 692 CB GLU A 47 4.204 -3.841 -16.767 1.00 0.00 C ATOM 693 CG GLU A 47 4.018 -2.854 -17.922 1.00 0.00 C ATOM 694 CD GLU A 47 5.170 -3.003 -18.909 1.00 0.00 C ATOM 695 OE1 GLU A 47 5.109 -3.904 -19.729 1.00 0.00 O ATOM 696 OE2 GLU A 47 6.097 -2.214 -18.829 1.00 0.00 O ATOM 0 H GLU A 47 5.405 -5.092 -14.974 1.00 0.00 H new ATOM 0 HA GLU A 47 5.647 -2.429 -16.014 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.775 -4.706 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.235 -4.210 -16.430 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.069 -3.040 -18.424 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.982 -1.834 -17.540 1.00 0.00 H new ATOM 703 N THR A 48 3.415 -3.092 -13.719 1.00 0.00 N ATOM 704 CA THR A 48 2.427 -2.489 -12.829 1.00 0.00 C ATOM 705 C THR A 48 3.023 -1.283 -12.109 1.00 0.00 C ATOM 706 O THR A 48 2.444 -0.197 -12.104 1.00 0.00 O ATOM 707 CB THR A 48 1.949 -3.506 -11.790 1.00 0.00 C ATOM 708 OG1 THR A 48 1.573 -4.709 -12.444 1.00 0.00 O ATOM 709 CG2 THR A 48 0.748 -2.939 -11.032 1.00 0.00 C ATOM 0 H THR A 48 3.681 -4.047 -13.479 1.00 0.00 H new ATOM 0 HA THR A 48 1.581 -2.167 -13.436 1.00 0.00 H new ATOM 0 HB THR A 48 2.756 -3.712 -11.086 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.767 -4.552 -12.979 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.409 -3.665 -10.293 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.038 -2.016 -10.529 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.060 -2.731 -11.734 1.00 0.00 H new ATOM 717 N ALA A 49 4.185 -1.487 -11.499 1.00 0.00 N ATOM 718 CA ALA A 49 4.854 -0.408 -10.776 1.00 0.00 C ATOM 719 C ALA A 49 5.421 0.624 -11.748 1.00 0.00 C ATOM 720 O ALA A 49 5.513 1.809 -11.430 1.00 0.00 O ATOM 721 CB ALA A 49 5.992 -0.963 -9.919 1.00 0.00 C ATOM 0 H ALA A 49 4.680 -2.379 -11.489 1.00 0.00 H new ATOM 0 HA ALA A 49 4.114 0.071 -10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.479 -0.146 -9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.591 -1.676 -9.199 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.719 -1.464 -10.559 1.00 0.00 H new ATOM 727 N ALA A 50 5.807 0.159 -12.933 1.00 0.00 N ATOM 728 CA ALA A 50 6.371 1.049 -13.945 1.00 0.00 C ATOM 729 C ALA A 50 5.345 2.091 -14.383 1.00 0.00 C ATOM 730 O ALA A 50 5.693 3.229 -14.696 1.00 0.00 O ATOM 731 CB ALA A 50 6.821 0.248 -15.169 1.00 0.00 C ATOM 0 H ALA A 50 5.741 -0.819 -13.215 1.00 0.00 H new ATOM 0 HA ALA A 50 7.229 1.554 -13.502 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.239 0.925 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.579 -0.476 -14.871 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.966 -0.277 -15.595 1.00 0.00 H new ATOM 737 N ARG A 51 4.078 1.690 -14.403 1.00 0.00 N ATOM 738 CA ARG A 51 3.008 2.598 -14.807 1.00 0.00 C ATOM 739 C ARG A 51 2.563 3.458 -13.628 1.00 0.00 C ATOM 740 O ARG A 51 2.131 4.597 -13.802 1.00 0.00 O ATOM 741 CB ARG A 51 1.803 1.812 -15.329 1.00 0.00 C ATOM 742 CG ARG A 51 2.111 1.271 -16.727 1.00 0.00 C ATOM 743 CD ARG A 51 0.806 1.085 -17.502 1.00 0.00 C ATOM 744 NE ARG A 51 0.494 2.282 -18.279 1.00 0.00 N ATOM 745 CZ ARG A 51 -0.397 2.244 -19.266 1.00 0.00 C ATOM 746 NH1 ARG A 51 -1.669 2.375 -19.003 1.00 0.00 N ATOM 747 NH2 ARG A 51 0.001 2.076 -20.497 1.00 0.00 N ATOM 0 H ARG A 51 3.768 0.753 -14.147 1.00 0.00 H new ATOM 0 HA ARG A 51 3.396 3.238 -15.600 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.572 0.989 -14.652 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.923 2.455 -15.362 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.767 1.960 -17.259 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.640 0.321 -16.652 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.891 0.225 -18.167 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.008 0.873 -16.809 1.00 0.00 H new ATOM 0 HE ARG A 51 0.966 3.160 -18.062 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.980 2.507 -18.040 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.352 2.346 -19.760 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.995 1.974 -20.702 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.682 2.047 -21.254 1.00 0.00 H new ATOM 761 N LEU A 52 2.671 2.899 -12.426 1.00 0.00 N ATOM 762 CA LEU A 52 2.276 3.622 -11.220 1.00 0.00 C ATOM 763 C LEU A 52 3.210 4.809 -10.966 1.00 0.00 C ATOM 764 O LEU A 52 2.821 5.793 -10.337 1.00 0.00 O ATOM 765 CB LEU A 52 2.304 2.680 -10.001 1.00 0.00 C ATOM 766 CG LEU A 52 0.873 2.345 -9.546 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.142 3.629 -9.144 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.111 1.661 -10.686 1.00 0.00 C ATOM 0 H LEU A 52 3.025 1.957 -12.261 1.00 0.00 H new ATOM 0 HA LEU A 52 1.263 3.996 -11.368 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.835 1.763 -10.255 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.851 3.150 -9.184 1.00 0.00 H new ATOM 0 HG LEU A 52 0.922 1.673 -8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.871 3.386 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.676 4.111 -8.325 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.099 4.306 -9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.901 1.426 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.068 2.328 -11.547 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.624 0.741 -10.966 1.00 0.00 H new ATOM 780 N GLU A 53 4.445 4.706 -11.456 1.00 0.00 N ATOM 781 CA GLU A 53 5.420 5.781 -11.265 1.00 0.00 C ATOM 782 C GLU A 53 5.372 6.802 -12.407 1.00 0.00 C ATOM 783 O GLU A 53 6.284 7.615 -12.561 1.00 0.00 O ATOM 784 CB GLU A 53 6.832 5.202 -11.185 1.00 0.00 C ATOM 785 CG GLU A 53 7.129 4.389 -12.449 1.00 0.00 C ATOM 786 CD GLU A 53 8.599 4.546 -12.824 1.00 0.00 C ATOM 787 OE1 GLU A 53 9.019 5.673 -13.034 1.00 0.00 O ATOM 788 OE2 GLU A 53 9.283 3.539 -12.894 1.00 0.00 O ATOM 0 H GLU A 53 4.791 3.903 -11.980 1.00 0.00 H new ATOM 0 HA GLU A 53 5.164 6.287 -10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.560 6.006 -11.079 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.926 4.569 -10.303 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.896 3.338 -12.280 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.496 4.728 -13.269 1.00 0.00 H new ATOM 795 N SER A 54 4.310 6.757 -13.208 1.00 0.00 N ATOM 796 CA SER A 54 4.176 7.687 -14.325 1.00 0.00 C ATOM 797 C SER A 54 3.235 8.831 -13.960 1.00 0.00 C ATOM 798 O SER A 54 3.594 10.004 -14.058 1.00 0.00 O ATOM 799 CB SER A 54 3.630 6.968 -15.558 1.00 0.00 C ATOM 800 OG SER A 54 4.706 6.359 -16.262 1.00 0.00 O ATOM 0 H SER A 54 3.540 6.096 -13.107 1.00 0.00 H new ATOM 0 HA SER A 54 5.165 8.088 -14.547 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.902 6.214 -15.260 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.111 7.675 -16.205 1.00 0.00 H new ATOM 0 HG SER A 54 4.359 5.895 -17.053 1.00 0.00 H new ATOM 806 N ARG A 55 2.024 8.476 -13.539 1.00 0.00 N ATOM 807 CA ARG A 55 1.035 9.482 -13.162 1.00 0.00 C ATOM 808 C ARG A 55 1.424 10.147 -11.845 1.00 0.00 C ATOM 809 O ARG A 55 1.629 11.359 -11.783 1.00 0.00 O ATOM 810 CB ARG A 55 -0.348 8.846 -13.010 1.00 0.00 C ATOM 811 CG ARG A 55 -1.400 9.945 -12.839 1.00 0.00 C ATOM 812 CD ARG A 55 -1.728 10.574 -14.199 1.00 0.00 C ATOM 813 NE ARG A 55 -1.423 12.002 -14.191 1.00 0.00 N ATOM 814 CZ ARG A 55 -2.393 12.909 -14.129 1.00 0.00 C ATOM 815 NH1 ARG A 55 -3.137 13.141 -15.175 1.00 0.00 N ATOM 816 NH2 ARG A 55 -2.600 13.568 -13.021 1.00 0.00 N ATOM 0 H ARG A 55 1.706 7.511 -13.451 1.00 0.00 H new ATOM 0 HA ARG A 55 1.003 10.232 -13.952 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.579 8.240 -13.886 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.360 8.179 -12.148 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.304 9.529 -12.394 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.031 10.709 -12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -1.155 10.079 -14.983 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.782 10.423 -14.431 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.451 12.308 -14.234 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -2.975 12.626 -16.041 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.881 13.837 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -2.018 13.387 -12.203 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.344 14.264 -12.973 1.00 0.00 H new ATOM 830 N TYR A 56 1.520 9.340 -10.792 1.00 0.00 N ATOM 831 CA TYR A 56 1.884 9.861 -9.477 1.00 0.00 C ATOM 832 C TYR A 56 3.361 10.248 -9.436 1.00 0.00 C ATOM 833 O TYR A 56 3.764 11.120 -8.666 1.00 0.00 O ATOM 834 CB TYR A 56 1.607 8.818 -8.388 1.00 0.00 C ATOM 835 CG TYR A 56 0.167 8.353 -8.468 1.00 0.00 C ATOM 836 CD1 TYR A 56 -0.876 9.287 -8.563 1.00 0.00 C ATOM 837 CD2 TYR A 56 -0.126 6.982 -8.445 1.00 0.00 C ATOM 838 CE1 TYR A 56 -2.204 8.851 -8.635 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.455 6.547 -8.517 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.494 7.481 -8.612 1.00 0.00 C ATOM 841 OH TYR A 56 -3.803 7.052 -8.684 1.00 0.00 O ATOM 0 H TYR A 56 1.353 8.334 -10.821 1.00 0.00 H new ATOM 0 HA TYR A 56 1.277 10.747 -9.292 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.279 7.968 -8.508 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.805 9.245 -7.405 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.654 10.344 -8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.674 6.261 -8.372 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -3.005 9.571 -8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.679 5.491 -8.499 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.828 6.073 -8.657 1.00 0.00 H new ATOM 851 N GLY A 57 4.167 9.593 -10.272 1.00 0.00 N ATOM 852 CA GLY A 57 5.598 9.885 -10.314 1.00 0.00 C ATOM 853 C GLY A 57 6.257 9.542 -8.984 1.00 0.00 C ATOM 854 O GLY A 57 7.000 10.343 -8.416 1.00 0.00 O ATOM 0 H GLY A 57 3.859 8.868 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.067 9.315 -11.116 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.752 10.940 -10.541 1.00 0.00 H new ATOM 858 N VAL A 58 5.971 8.340 -8.489 1.00 0.00 N ATOM 859 CA VAL A 58 6.535 7.893 -7.216 1.00 0.00 C ATOM 860 C VAL A 58 8.079 7.882 -7.290 1.00 0.00 C ATOM 861 O VAL A 58 8.718 8.905 -7.040 1.00 0.00 O ATOM 862 CB VAL A 58 5.934 6.512 -6.806 1.00 0.00 C ATOM 863 CG1 VAL A 58 5.807 5.571 -8.016 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.788 5.839 -5.720 1.00 0.00 C ATOM 0 H VAL A 58 5.358 7.663 -8.944 1.00 0.00 H new ATOM 0 HA VAL A 58 6.261 8.596 -6.429 1.00 0.00 H new ATOM 0 HB VAL A 58 4.937 6.704 -6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 58 5.385 4.619 -7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.154 6.024 -8.762 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.792 5.403 -8.451 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.347 4.879 -5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.798 5.682 -6.097 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.826 6.479 -4.838 1.00 0.00 H new ATOM 874 N SER A 59 8.679 6.737 -7.624 1.00 0.00 N ATOM 875 CA SER A 59 10.133 6.650 -7.707 1.00 0.00 C ATOM 876 C SER A 59 10.536 5.431 -8.541 1.00 0.00 C ATOM 877 O SER A 59 9.722 4.875 -9.277 1.00 0.00 O ATOM 878 CB SER A 59 10.735 6.536 -6.303 1.00 0.00 C ATOM 879 OG SER A 59 11.964 7.249 -6.259 1.00 0.00 O ATOM 0 H SER A 59 8.186 5.870 -7.838 1.00 0.00 H new ATOM 0 HA SER A 59 10.512 7.553 -8.185 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.042 6.938 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.900 5.489 -6.049 1.00 0.00 H new ATOM 0 HG SER A 59 12.351 7.179 -5.361 1.00 0.00 H new ATOM 885 N ILE A 60 11.797 5.014 -8.416 1.00 0.00 N ATOM 886 CA ILE A 60 12.282 3.855 -9.164 1.00 0.00 C ATOM 887 C ILE A 60 12.779 2.764 -8.197 1.00 0.00 C ATOM 888 O ILE A 60 13.984 2.570 -8.034 1.00 0.00 O ATOM 889 CB ILE A 60 13.408 4.272 -10.127 1.00 0.00 C ATOM 890 CG1 ILE A 60 13.875 3.055 -10.937 1.00 0.00 C ATOM 891 CG2 ILE A 60 14.592 4.856 -9.344 1.00 0.00 C ATOM 892 CD1 ILE A 60 14.608 3.528 -12.194 1.00 0.00 C ATOM 0 H ILE A 60 12.492 5.455 -7.813 1.00 0.00 H new ATOM 0 HA ILE A 60 11.457 3.450 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 60 13.024 5.034 -10.805 1.00 0.00 H new ATOM 0 HG12 ILE A 60 14.534 2.433 -10.331 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.019 2.438 -11.213 1.00 0.00 H new ATOM 0 HG21 ILE A 60 15.380 5.146 -10.039 1.00 0.00 H new ATOM 0 HG22 ILE A 60 14.262 5.731 -8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 60 14.976 4.106 -8.652 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.940 2.663 -12.769 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.935 4.132 -12.802 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.473 4.126 -11.907 1.00 0.00 H new ATOM 904 N PRO A 61 11.858 2.032 -7.544 1.00 0.00 N ATOM 905 CA PRO A 61 12.240 0.964 -6.600 1.00 0.00 C ATOM 906 C PRO A 61 12.590 -0.342 -7.307 1.00 0.00 C ATOM 907 O PRO A 61 11.755 -0.941 -7.982 1.00 0.00 O ATOM 908 CB PRO A 61 10.976 0.798 -5.768 1.00 0.00 C ATOM 909 CG PRO A 61 9.812 1.293 -6.617 1.00 0.00 C ATOM 910 CD PRO A 61 10.394 2.211 -7.696 1.00 0.00 C ATOM 0 HA PRO A 61 13.131 1.214 -6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.833 -0.246 -5.489 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.047 1.368 -4.842 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.283 0.455 -7.070 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.090 1.831 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.055 1.926 -8.692 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.098 3.249 -7.544 1.00 0.00 H new ATOM 918 N ASP A 62 13.837 -0.773 -7.151 1.00 0.00 N ATOM 919 CA ASP A 62 14.286 -2.010 -7.784 1.00 0.00 C ATOM 920 C ASP A 62 14.326 -3.159 -6.778 1.00 0.00 C ATOM 921 O ASP A 62 13.855 -4.261 -7.054 1.00 0.00 O ATOM 922 CB ASP A 62 15.680 -1.827 -8.386 1.00 0.00 C ATOM 923 CG ASP A 62 15.634 -0.740 -9.456 1.00 0.00 C ATOM 924 OD1 ASP A 62 14.780 -0.826 -10.324 1.00 0.00 O ATOM 925 OD2 ASP A 62 16.453 0.161 -9.391 1.00 0.00 O ATOM 0 H ASP A 62 14.548 -0.292 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 62 13.574 -2.252 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 62 16.391 -1.555 -7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.026 -2.765 -8.820 1.00 0.00 H new ATOM 930 N ASP A 63 14.915 -2.892 -5.614 1.00 0.00 N ATOM 931 CA ASP A 63 15.038 -3.917 -4.577 1.00 0.00 C ATOM 932 C ASP A 63 13.786 -3.991 -3.706 1.00 0.00 C ATOM 933 O ASP A 63 13.314 -5.077 -3.372 1.00 0.00 O ATOM 934 CB ASP A 63 16.244 -3.623 -3.682 1.00 0.00 C ATOM 935 CG ASP A 63 16.129 -2.211 -3.116 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.451 -2.049 -2.114 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.720 -1.314 -3.692 1.00 0.00 O ATOM 0 H ASP A 63 15.311 -1.985 -5.366 1.00 0.00 H new ATOM 0 HA ASP A 63 15.169 -4.873 -5.083 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.292 -4.348 -2.870 1.00 0.00 H new ATOM 0 HB3 ASP A 63 17.167 -3.723 -4.254 1.00 0.00 H new ATOM 942 N VAL A 64 13.262 -2.830 -3.325 1.00 0.00 N ATOM 943 CA VAL A 64 12.073 -2.791 -2.474 1.00 0.00 C ATOM 944 C VAL A 64 10.838 -3.275 -3.237 1.00 0.00 C ATOM 945 O VAL A 64 10.037 -4.053 -2.718 1.00 0.00 O ATOM 946 CB VAL A 64 11.841 -1.367 -1.941 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.547 -0.407 -3.097 1.00 0.00 C ATOM 948 CG2 VAL A 64 10.663 -1.365 -0.963 1.00 0.00 C ATOM 0 H VAL A 64 13.633 -1.916 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 64 12.240 -3.461 -1.630 1.00 0.00 H new ATOM 0 HB VAL A 64 12.743 -1.036 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.385 0.597 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.393 -0.395 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.654 -0.738 -3.627 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.503 -0.354 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.764 -1.709 -1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.882 -2.031 -0.128 1.00 0.00 H new ATOM 958 N ALA A 65 10.691 -2.802 -4.470 1.00 0.00 N ATOM 959 CA ALA A 65 9.545 -3.193 -5.291 1.00 0.00 C ATOM 960 C ALA A 65 9.801 -4.534 -5.971 1.00 0.00 C ATOM 961 O ALA A 65 8.942 -5.416 -5.978 1.00 0.00 O ATOM 962 CB ALA A 65 9.267 -2.141 -6.365 1.00 0.00 C ATOM 0 H ALA A 65 11.340 -2.156 -4.920 1.00 0.00 H new ATOM 0 HA ALA A 65 8.681 -3.278 -4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.411 -2.451 -6.965 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.050 -1.184 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 65 10.141 -2.037 -7.007 1.00 0.00 H new ATOM 968 N GLY A 66 10.992 -4.676 -6.545 1.00 0.00 N ATOM 969 CA GLY A 66 11.353 -5.915 -7.231 1.00 0.00 C ATOM 970 C GLY A 66 11.321 -7.103 -6.273 1.00 0.00 C ATOM 971 O GLY A 66 11.094 -8.242 -6.682 1.00 0.00 O ATOM 0 H GLY A 66 11.717 -3.958 -6.550 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.664 -6.091 -8.057 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.349 -5.818 -7.662 1.00 0.00 H new ATOM 975 N ARG A 67 11.556 -6.829 -4.993 1.00 0.00 N ATOM 976 CA ARG A 67 11.557 -7.887 -3.986 1.00 0.00 C ATOM 977 C ARG A 67 10.291 -7.820 -3.136 1.00 0.00 C ATOM 978 O ARG A 67 10.317 -8.095 -1.936 1.00 0.00 O ATOM 979 CB ARG A 67 12.779 -7.756 -3.073 1.00 0.00 C ATOM 980 CG ARG A 67 13.189 -9.139 -2.548 1.00 0.00 C ATOM 981 CD ARG A 67 14.501 -9.577 -3.205 1.00 0.00 C ATOM 982 NE ARG A 67 15.607 -8.736 -2.753 1.00 0.00 N ATOM 983 CZ ARG A 67 16.843 -8.929 -3.205 1.00 0.00 C ATOM 984 NH1 ARG A 67 17.187 -8.473 -4.377 1.00 0.00 N ATOM 985 NH2 ARG A 67 17.711 -9.574 -2.475 1.00 0.00 N ATOM 0 H ARG A 67 11.746 -5.895 -4.631 1.00 0.00 H new ATOM 0 HA ARG A 67 11.593 -8.844 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.607 -7.305 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.551 -7.093 -2.238 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.308 -9.106 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 67 12.405 -9.866 -2.761 1.00 0.00 H new ATOM 0 HD2 ARG A 67 14.706 -10.619 -2.961 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.410 -9.515 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 67 15.429 -7.990 -2.081 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.508 -7.968 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.135 -8.621 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.442 -9.930 -1.558 1.00 0.00 H new ATOM 0 HH22 ARG A 67 18.659 -9.722 -2.821 1.00 0.00 H new ATOM 999 N VAL A 68 9.179 -7.454 -3.768 1.00 0.00 N ATOM 1000 CA VAL A 68 7.911 -7.360 -3.049 1.00 0.00 C ATOM 1001 C VAL A 68 7.261 -8.743 -2.941 1.00 0.00 C ATOM 1002 O VAL A 68 6.761 -9.295 -3.920 1.00 0.00 O ATOM 1003 CB VAL A 68 6.957 -6.370 -3.745 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.575 -6.871 -5.143 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.686 -6.212 -2.907 1.00 0.00 C ATOM 0 H VAL A 68 9.129 -7.221 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 68 8.113 -6.987 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 68 7.467 -5.411 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.901 -6.156 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 68 7.474 -6.977 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.078 -7.837 -5.060 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.011 -5.512 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.195 -7.180 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.946 -5.832 -1.919 1.00 0.00 H new ATOM 1015 N ASP A 69 7.287 -9.297 -1.732 1.00 0.00 N ATOM 1016 CA ASP A 69 6.707 -10.616 -1.496 1.00 0.00 C ATOM 1017 C ASP A 69 5.260 -10.499 -1.016 1.00 0.00 C ATOM 1018 O ASP A 69 4.470 -11.431 -1.163 1.00 0.00 O ATOM 1019 CB ASP A 69 7.519 -11.379 -0.448 1.00 0.00 C ATOM 1020 CG ASP A 69 8.682 -12.093 -1.125 1.00 0.00 C ATOM 1021 OD1 ASP A 69 8.424 -12.944 -1.961 1.00 0.00 O ATOM 1022 OD2 ASP A 69 9.815 -11.779 -0.800 1.00 0.00 O ATOM 0 H ASP A 69 7.699 -8.859 -0.908 1.00 0.00 H new ATOM 0 HA ASP A 69 6.728 -11.159 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 69 7.893 -10.690 0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.884 -12.102 0.064 1.00 0.00 H new ATOM 1027 N THR A 70 4.918 -9.346 -0.441 1.00 0.00 N ATOM 1028 CA THR A 70 3.561 -9.128 0.050 1.00 0.00 C ATOM 1029 C THR A 70 2.868 -8.040 -0.777 1.00 0.00 C ATOM 1030 O THR A 70 3.527 -7.137 -1.293 1.00 0.00 O ATOM 1031 CB THR A 70 3.583 -8.701 1.520 1.00 0.00 C ATOM 1032 OG1 THR A 70 4.442 -7.579 1.672 1.00 0.00 O ATOM 1033 CG2 THR A 70 4.092 -9.857 2.382 1.00 0.00 C ATOM 0 H THR A 70 5.553 -8.560 -0.306 1.00 0.00 H new ATOM 0 HA THR A 70 3.012 -10.065 -0.044 1.00 0.00 H new ATOM 0 HB THR A 70 2.575 -8.433 1.836 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.456 -7.303 2.612 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.107 -9.552 3.428 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.432 -10.717 2.264 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.100 -10.128 2.069 1.00 0.00 H new ATOM 1041 N PRO A 71 1.534 -8.103 -0.916 1.00 0.00 N ATOM 1042 CA PRO A 71 0.785 -7.096 -1.695 1.00 0.00 C ATOM 1043 C PRO A 71 0.592 -5.797 -0.919 1.00 0.00 C ATOM 1044 O PRO A 71 0.763 -4.703 -1.456 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.551 -7.786 -1.926 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.713 -8.811 -0.813 1.00 0.00 C ATOM 1047 CD PRO A 71 0.689 -9.161 -0.313 1.00 0.00 C ATOM 0 HA PRO A 71 1.300 -6.802 -2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.367 -7.064 -1.909 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.573 -8.269 -2.903 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.320 -8.407 -0.003 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.224 -9.701 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.744 -9.149 0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 71 0.996 -10.156 -0.637 1.00 0.00 H new ATOM 1055 N ARG A 72 0.236 -5.935 0.357 1.00 0.00 N ATOM 1056 CA ARG A 72 0.024 -4.768 1.217 1.00 0.00 C ATOM 1057 C ARG A 72 1.254 -3.856 1.215 1.00 0.00 C ATOM 1058 O ARG A 72 1.149 -2.650 1.435 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.260 -5.211 2.654 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.100 -4.146 3.363 1.00 0.00 C ATOM 1061 CD ARG A 72 -2.581 -4.517 3.269 1.00 0.00 C ATOM 1062 NE ARG A 72 -3.359 -3.792 4.270 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.688 -3.761 4.215 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -5.289 -2.936 3.404 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -5.389 -4.560 4.973 1.00 0.00 N ATOM 0 H ARG A 72 0.089 -6.834 0.817 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.831 -4.218 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.788 -6.164 2.654 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.677 -5.366 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.800 -4.067 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.929 -3.170 2.908 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.956 -4.286 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.702 -5.590 3.414 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.876 -3.302 5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.740 -2.313 2.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.308 -2.913 3.363 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.918 -5.206 5.606 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.408 -4.538 4.932 1.00 0.00 H new ATOM 1079 N GLU A 73 2.420 -4.448 0.959 1.00 0.00 N ATOM 1080 CA GLU A 73 3.664 -3.684 0.925 1.00 0.00 C ATOM 1081 C GLU A 73 3.678 -2.742 -0.277 1.00 0.00 C ATOM 1082 O GLU A 73 4.074 -1.582 -0.169 1.00 0.00 O ATOM 1083 CB GLU A 73 4.865 -4.629 0.835 1.00 0.00 C ATOM 1084 CG GLU A 73 6.163 -3.831 0.979 1.00 0.00 C ATOM 1085 CD GLU A 73 7.344 -4.791 1.067 1.00 0.00 C ATOM 1086 OE1 GLU A 73 7.243 -5.758 1.803 1.00 0.00 O ATOM 1087 OE2 GLU A 73 8.333 -4.544 0.397 1.00 0.00 O ATOM 0 H GLU A 73 2.528 -5.445 0.774 1.00 0.00 H new ATOM 0 HA GLU A 73 3.729 -3.100 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.804 -5.386 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.855 -5.155 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.287 -3.162 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.121 -3.207 1.871 1.00 0.00 H new ATOM 1094 N LEU A 74 3.243 -3.258 -1.424 1.00 0.00 N ATOM 1095 CA LEU A 74 3.211 -2.460 -2.649 1.00 0.00 C ATOM 1096 C LEU A 74 2.316 -1.234 -2.470 1.00 0.00 C ATOM 1097 O LEU A 74 2.660 -0.130 -2.892 1.00 0.00 O ATOM 1098 CB LEU A 74 2.691 -3.297 -3.819 1.00 0.00 C ATOM 1099 CG LEU A 74 3.263 -2.755 -5.130 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.642 -3.369 -5.379 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.328 -3.124 -6.285 1.00 0.00 C ATOM 0 H LEU A 74 2.910 -4.216 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 74 4.228 -2.133 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.978 -4.340 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.602 -3.267 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 74 3.354 -1.671 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.049 -2.982 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.310 -3.109 -4.557 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.551 -4.453 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.735 -2.738 -7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.238 -4.208 -6.348 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.344 -2.688 -6.110 1.00 0.00 H new ATOM 1113 N LEU A 75 1.163 -1.439 -1.832 1.00 0.00 N ATOM 1114 CA LEU A 75 0.224 -0.341 -1.596 1.00 0.00 C ATOM 1115 C LEU A 75 0.889 0.749 -0.759 1.00 0.00 C ATOM 1116 O LEU A 75 0.883 1.916 -1.132 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.029 -0.863 -0.871 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.021 0.279 -0.589 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -2.918 0.506 -1.806 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -2.887 -0.098 0.613 1.00 0.00 C ATOM 0 H LEU A 75 0.859 -2.344 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.070 0.080 -2.558 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.513 -1.627 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.739 -1.337 0.067 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.467 1.194 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.617 1.316 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.304 0.770 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.474 -0.406 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.593 0.706 0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.435 -1.014 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.251 -0.255 1.484 1.00 0.00 H new ATOM 1132 N ASP A 76 1.456 0.361 0.373 1.00 0.00 N ATOM 1133 CA ASP A 76 2.120 1.331 1.242 1.00 0.00 C ATOM 1134 C ASP A 76 3.382 1.897 0.577 1.00 0.00 C ATOM 1135 O ASP A 76 3.938 2.895 1.035 1.00 0.00 O ATOM 1136 CB ASP A 76 2.508 0.683 2.571 1.00 0.00 C ATOM 1137 CG ASP A 76 2.890 1.767 3.574 1.00 0.00 C ATOM 1138 OD1 ASP A 76 2.201 2.772 3.622 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.869 1.575 4.277 1.00 0.00 O ATOM 0 H ASP A 76 1.473 -0.601 0.711 1.00 0.00 H new ATOM 0 HA ASP A 76 1.416 2.144 1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.676 0.093 2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.343 -0.002 2.424 1.00 0.00 H new ATOM 1144 N LEU A 77 3.835 1.251 -0.501 1.00 0.00 N ATOM 1145 CA LEU A 77 5.032 1.704 -1.204 1.00 0.00 C ATOM 1146 C LEU A 77 4.750 2.967 -2.015 1.00 0.00 C ATOM 1147 O LEU A 77 5.292 4.035 -1.732 1.00 0.00 O ATOM 1148 CB LEU A 77 5.530 0.608 -2.156 1.00 0.00 C ATOM 1149 CG LEU A 77 7.056 0.678 -2.310 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.469 2.051 -2.856 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.733 0.428 -0.953 1.00 0.00 C ATOM 0 H LEU A 77 3.395 0.422 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 77 5.792 1.925 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.242 -0.371 -1.774 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.055 0.722 -3.130 1.00 0.00 H new ATOM 0 HG LEU A 77 7.375 -0.092 -3.013 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.553 2.090 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.004 2.211 -3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.144 2.830 -2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.815 0.479 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.410 1.186 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.455 -0.559 -0.584 1.00 0.00 H new ATOM 1163 N ILE A 78 3.907 2.830 -3.035 1.00 0.00 N ATOM 1164 CA ILE A 78 3.573 3.968 -3.894 1.00 0.00 C ATOM 1165 C ILE A 78 2.722 4.984 -3.135 1.00 0.00 C ATOM 1166 O ILE A 78 2.935 6.193 -3.229 1.00 0.00 O ATOM 1167 CB ILE A 78 2.804 3.495 -5.134 1.00 0.00 C ATOM 1168 CG1 ILE A 78 3.598 2.394 -5.843 1.00 0.00 C ATOM 1169 CG2 ILE A 78 2.601 4.669 -6.094 1.00 0.00 C ATOM 1170 CD1 ILE A 78 2.633 1.447 -6.558 1.00 0.00 C ATOM 0 H ILE A 78 3.447 1.955 -3.287 1.00 0.00 H new ATOM 0 HA ILE A 78 4.506 4.440 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 78 1.834 3.105 -4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.290 2.835 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.198 1.841 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.054 4.329 -6.974 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.033 5.454 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.571 5.062 -6.399 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.199 0.664 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.959 0.996 -5.830 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.052 2.005 -7.292 1.00 0.00 H new ATOM 1182 N ASN A 79 1.755 4.470 -2.390 1.00 0.00 N ATOM 1183 CA ASN A 79 0.852 5.316 -1.610 1.00 0.00 C ATOM 1184 C ASN A 79 1.629 6.190 -0.627 1.00 0.00 C ATOM 1185 O ASN A 79 1.272 7.343 -0.384 1.00 0.00 O ATOM 1186 CB ASN A 79 -0.133 4.442 -0.828 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.291 5.285 -0.303 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -1.359 6.492 -0.544 1.00 0.00 O ATOM 1189 ND2 ASN A 79 -2.221 4.710 0.409 1.00 0.00 N ATOM 0 H ASN A 79 1.572 3.470 -2.306 1.00 0.00 H new ATOM 0 HA ASN A 79 0.312 5.961 -2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.515 3.649 -1.471 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.380 3.959 0.004 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -3.003 5.259 0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.166 3.711 0.609 1.00 0.00 H new ATOM 1196 N GLY A 80 2.692 5.627 -0.059 1.00 0.00 N ATOM 1197 CA GLY A 80 3.508 6.363 0.903 1.00 0.00 C ATOM 1198 C GLY A 80 4.449 7.337 0.199 1.00 0.00 C ATOM 1199 O GLY A 80 4.809 8.378 0.747 1.00 0.00 O ATOM 0 H GLY A 80 3.006 4.675 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.861 6.910 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.088 5.662 1.503 1.00 0.00 H new ATOM 1203 N ALA A 81 4.849 6.983 -1.019 1.00 0.00 N ATOM 1204 CA ALA A 81 5.756 7.832 -1.789 1.00 0.00 C ATOM 1205 C ALA A 81 5.125 9.195 -2.060 1.00 0.00 C ATOM 1206 O ALA A 81 5.724 10.235 -1.790 1.00 0.00 O ATOM 1207 CB ALA A 81 6.102 7.170 -3.123 1.00 0.00 C ATOM 0 H ALA A 81 4.564 6.125 -1.491 1.00 0.00 H new ATOM 0 HA ALA A 81 6.664 7.968 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.778 7.815 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.585 6.210 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.190 7.012 -3.698 1.00 0.00 H new ATOM 1213 N LEU A 82 3.912 9.178 -2.604 1.00 0.00 N ATOM 1214 CA LEU A 82 3.209 10.420 -2.917 1.00 0.00 C ATOM 1215 C LEU A 82 2.852 11.177 -1.640 1.00 0.00 C ATOM 1216 O LEU A 82 2.780 12.405 -1.632 1.00 0.00 O ATOM 1217 CB LEU A 82 1.925 10.130 -3.697 1.00 0.00 C ATOM 1218 CG LEU A 82 1.441 11.411 -4.375 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.285 11.678 -5.623 1.00 0.00 C ATOM 1220 CD2 LEU A 82 -0.026 11.253 -4.776 1.00 0.00 C ATOM 0 H LEU A 82 3.399 8.328 -2.836 1.00 0.00 H new ATOM 0 HA LEU A 82 3.875 11.032 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.107 9.357 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.156 9.749 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 82 1.540 12.248 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.940 12.592 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.331 11.791 -5.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.186 10.842 -6.315 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.371 12.167 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.126 10.416 -5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.628 11.063 -3.887 1.00 0.00 H new ATOM 1232 N ALA A 83 2.626 10.430 -0.562 1.00 0.00 N ATOM 1233 CA ALA A 83 2.272 11.041 0.719 1.00 0.00 C ATOM 1234 C ALA A 83 3.359 12.014 1.176 1.00 0.00 C ATOM 1235 O ALA A 83 3.082 12.995 1.865 1.00 0.00 O ATOM 1236 CB ALA A 83 2.088 9.964 1.791 1.00 0.00 C ATOM 0 H ALA A 83 2.680 9.412 -0.548 1.00 0.00 H new ATOM 0 HA ALA A 83 1.338 11.585 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.825 10.435 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.291 9.284 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.017 9.406 1.909 1.00 0.00 H new ATOM 1242 N GLU A 84 4.599 11.731 0.784 1.00 0.00 N ATOM 1243 CA GLU A 84 5.720 12.588 1.158 1.00 0.00 C ATOM 1244 C GLU A 84 5.999 13.623 0.069 1.00 0.00 C ATOM 1245 O GLU A 84 6.492 14.716 0.348 1.00 0.00 O ATOM 1246 CB GLU A 84 6.981 11.751 1.382 1.00 0.00 C ATOM 1247 CG GLU A 84 7.039 11.294 2.842 1.00 0.00 C ATOM 1248 CD GLU A 84 8.493 11.234 3.300 1.00 0.00 C ATOM 1249 OE1 GLU A 84 9.182 12.230 3.151 1.00 0.00 O ATOM 1250 OE2 GLU A 84 8.894 10.193 3.793 1.00 0.00 O ATOM 0 H GLU A 84 4.851 10.924 0.214 1.00 0.00 H new ATOM 0 HA GLU A 84 5.452 13.101 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.978 10.886 0.719 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.867 12.337 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.476 11.983 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.573 10.314 2.946 1.00 0.00 H new ATOM 1257 N ALA A 85 5.682 13.267 -1.174 1.00 0.00 N ATOM 1258 CA ALA A 85 5.907 14.174 -2.296 1.00 0.00 C ATOM 1259 C ALA A 85 4.577 14.635 -2.888 1.00 0.00 C ATOM 1260 O ALA A 85 4.428 14.758 -4.105 1.00 0.00 O ATOM 1261 CB ALA A 85 6.731 13.482 -3.385 1.00 0.00 C ATOM 0 H ALA A 85 5.273 12.368 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 85 6.454 15.041 -1.925 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.890 14.171 -4.214 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.695 13.179 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.196 12.602 -3.742 1.00 0.00 H new ATOM 1267 N ALA A 86 3.611 14.892 -2.012 1.00 0.00 N ATOM 1268 CA ALA A 86 2.293 15.341 -2.456 1.00 0.00 C ATOM 1269 C ALA A 86 2.401 16.691 -3.158 1.00 0.00 C ATOM 1270 O ALA A 86 3.397 17.367 -2.951 1.00 0.00 O ATOM 1271 CB ALA A 86 1.343 15.475 -1.265 1.00 0.00 C ATOM 1272 OXT ALA A 86 1.488 17.030 -3.892 1.00 0.00 O ATOM 0 H ALA A 86 3.712 14.799 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 86 1.901 14.598 -3.151 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.366 15.810 -1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.240 14.509 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.745 16.202 -0.559 1.00 0.00 H new