USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 617 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 Single : A 7 THR OG1 : rot 34:sc= 0.328 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 93:sc= 1.19 USER MOD Single : A 19 HIS : no HD1:sc= -0.137 X(o=-0.14,f=0) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 21 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 23 SER OG : rot 74:sc= 1.15 USER MOD Single : A 28 LYS NZ :NH3+ -137:sc= 1.16 (180deg=-1.85) USER MOD Single : A 31 SER OG : rot 180:sc= 0.31 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 0.9 (180deg=0.571) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 149:sc= 0.854 USER MOD Single : A 64 SER OG : rot 0:sc= 1.08 USER MOD Single : A 79 TYR OH : rot 137:sc= 1.6 USER MOD Single : A 81 SER OG : rot -19:sc= 0.238 USER MOD Single : A 84 SER OG : rot -21:sc= 0.582 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.337 13.045 -14.166 1.00 10.00 N ATOM 95 CA LEU A 6 -2.487 12.583 -13.074 1.00 10.00 C ATOM 96 C LEU A 6 -1.306 13.536 -12.855 1.00 10.00 C ATOM 97 O LEU A 6 -0.462 13.718 -13.732 1.00 10.00 O ATOM 98 CB LEU A 6 -1.950 11.173 -13.386 1.00 10.00 C ATOM 99 CG LEU A 6 -2.996 10.044 -13.394 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.303 8.719 -13.725 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.707 9.898 -12.045 1.00 10.00 C ATOM 0 HA LEU A 6 -3.089 12.557 -12.166 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.463 11.198 -14.361 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.183 10.926 -12.652 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.745 10.298 -14.144 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -3.039 7.915 -13.732 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.833 8.789 -14.706 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.543 8.508 -12.973 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.435 9.089 -12.103 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -2.974 9.673 -11.270 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.219 10.829 -11.801 1.00 10.00 H new ATOM 113 N THR A 7 -1.246 14.111 -11.654 1.00 10.00 N ATOM 114 CA THR A 7 -0.133 14.918 -11.155 1.00 10.00 C ATOM 115 C THR A 7 0.145 14.572 -9.682 1.00 10.00 C ATOM 116 O THR A 7 -0.348 13.570 -9.162 1.00 10.00 O ATOM 117 CB THR A 7 -0.415 16.412 -11.421 1.00 10.00 C ATOM 118 OG1 THR A 7 0.729 17.183 -11.126 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.592 16.995 -10.634 1.00 10.00 C ATOM 0 H THR A 7 -2.002 14.024 -10.975 1.00 10.00 H new ATOM 0 HA THR A 7 0.788 14.687 -11.691 1.00 10.00 H new ATOM 0 HB THR A 7 -0.680 16.460 -12.477 1.00 10.00 H new ATOM 0 HG1 THR A 7 1.535 16.669 -11.343 1.00 10.00 H new ATOM 0 HG21 THR A 7 -1.713 18.048 -10.887 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.503 16.454 -10.888 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.399 16.898 -9.566 1.00 10.00 H new ATOM 127 N GLU A 8 0.963 15.385 -9.010 1.00 10.00 N ATOM 128 CA GLU A 8 1.410 15.201 -7.625 1.00 10.00 C ATOM 129 C GLU A 8 0.259 14.861 -6.667 1.00 10.00 C ATOM 130 O GLU A 8 0.403 13.957 -5.850 1.00 10.00 O ATOM 131 CB GLU A 8 2.131 16.475 -7.152 1.00 10.00 C ATOM 132 CG GLU A 8 3.394 16.795 -7.966 1.00 10.00 C ATOM 133 CD GLU A 8 3.968 18.158 -7.566 1.00 10.00 C ATOM 134 OE1 GLU A 8 3.443 19.170 -8.084 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.913 18.174 -6.746 1.00 10.00 O ATOM 0 H GLU A 8 1.350 16.228 -9.434 1.00 10.00 H new ATOM 0 HA GLU A 8 2.091 14.350 -7.610 1.00 10.00 H new ATOM 0 HB2 GLU A 8 1.443 17.318 -7.215 1.00 10.00 H new ATOM 0 HB3 GLU A 8 2.402 16.362 -6.102 1.00 10.00 H new ATOM 0 HG2 GLU A 8 4.142 16.019 -7.805 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.157 16.793 -9.030 1.00 10.00 H new ATOM 142 N GLY A 9 -0.894 15.531 -6.805 1.00 10.00 N ATOM 143 CA GLY A 9 -2.075 15.295 -5.975 1.00 10.00 C ATOM 144 C GLY A 9 -2.690 13.906 -6.165 1.00 10.00 C ATOM 145 O GLY A 9 -2.933 13.211 -5.184 1.00 10.00 O ATOM 0 H GLY A 9 -1.030 16.260 -7.506 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -1.804 15.423 -4.927 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -2.827 16.050 -6.204 1.00 10.00 H new ATOM 149 N ASP A 10 -2.911 13.471 -7.411 1.00 10.00 N ATOM 150 CA ASP A 10 -3.474 12.152 -7.722 1.00 10.00 C ATOM 151 C ASP A 10 -2.520 11.030 -7.291 1.00 10.00 C ATOM 152 O ASP A 10 -2.944 10.015 -6.741 1.00 10.00 O ATOM 153 CB ASP A 10 -3.732 12.024 -9.234 1.00 10.00 C ATOM 154 CG ASP A 10 -4.292 13.291 -9.879 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.482 14.240 -10.007 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.477 13.280 -10.276 1.00 10.00 O ATOM 0 H ASP A 10 -2.702 14.029 -8.239 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.412 12.057 -7.174 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.799 11.758 -9.730 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.429 11.203 -9.405 1.00 10.00 H new ATOM 161 N LEU A 11 -1.218 11.231 -7.522 1.00 10.00 N ATOM 162 CA LEU A 11 -0.166 10.320 -7.080 1.00 10.00 C ATOM 163 C LEU A 11 -0.060 10.248 -5.551 1.00 10.00 C ATOM 164 O LEU A 11 0.012 9.142 -5.017 1.00 10.00 O ATOM 165 CB LEU A 11 1.155 10.701 -7.771 1.00 10.00 C ATOM 166 CG LEU A 11 1.303 10.179 -9.220 1.00 10.00 C ATOM 167 CD1 LEU A 11 0.086 10.273 -10.150 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.489 10.868 -9.900 1.00 10.00 C ATOM 0 H LEU A 11 -0.865 12.043 -8.028 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.421 9.304 -7.382 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.244 11.787 -7.780 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.984 10.318 -7.175 1.00 10.00 H new ATOM 0 HG LEU A 11 1.447 9.108 -9.077 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.344 9.869 -11.129 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.740 9.701 -9.727 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.212 11.316 -10.255 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.589 10.497 -10.920 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.321 11.945 -9.920 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.402 10.653 -9.345 1.00 10.00 H new ATOM 180 N ASP A 12 -0.123 11.380 -4.840 1.00 10.00 N ATOM 181 CA ASP A 12 -0.201 11.405 -3.376 1.00 10.00 C ATOM 182 C ASP A 12 -1.498 10.766 -2.849 1.00 10.00 C ATOM 183 O ASP A 12 -1.457 10.053 -1.846 1.00 10.00 O ATOM 184 CB ASP A 12 -0.051 12.849 -2.876 1.00 10.00 C ATOM 185 CG ASP A 12 0.037 12.916 -1.351 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.987 12.307 -0.810 1.00 10.00 O ATOM 187 OD2 ASP A 12 -0.836 13.581 -0.751 1.00 10.00 O ATOM 0 H ASP A 12 -0.121 12.307 -5.266 1.00 10.00 H new ATOM 0 HA ASP A 12 0.619 10.803 -2.985 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.844 13.293 -3.312 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -0.900 13.442 -3.217 1.00 10.00 H new ATOM 192 N GLU A 13 -2.636 10.949 -3.532 1.00 10.00 N ATOM 193 CA GLU A 13 -3.900 10.286 -3.191 1.00 10.00 C ATOM 194 C GLU A 13 -3.823 8.763 -3.391 1.00 10.00 C ATOM 195 O GLU A 13 -4.223 8.021 -2.494 1.00 10.00 O ATOM 196 CB GLU A 13 -5.052 10.909 -4.001 1.00 10.00 C ATOM 197 CG GLU A 13 -6.425 10.376 -3.564 1.00 10.00 C ATOM 198 CD GLU A 13 -7.563 11.065 -4.328 1.00 10.00 C ATOM 199 OE1 GLU A 13 -7.899 10.575 -5.430 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.094 12.067 -3.797 1.00 10.00 O ATOM 0 H GLU A 13 -2.705 11.565 -4.342 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.095 10.446 -2.131 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.031 11.993 -3.884 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -4.903 10.700 -5.060 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.470 9.300 -3.734 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.555 10.535 -2.494 1.00 10.00 H new ATOM 207 N ILE A 14 -3.244 8.277 -4.502 1.00 10.00 N ATOM 208 CA ILE A 14 -3.031 6.837 -4.726 1.00 10.00 C ATOM 209 C ILE A 14 -2.040 6.280 -3.692 1.00 10.00 C ATOM 210 O ILE A 14 -2.338 5.275 -3.047 1.00 10.00 O ATOM 211 CB ILE A 14 -2.586 6.558 -6.185 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.781 6.767 -7.150 1.00 10.00 C ATOM 213 CG2 ILE A 14 -2.026 5.128 -6.350 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.440 6.673 -8.648 1.00 10.00 C ATOM 0 H ILE A 14 -2.912 8.867 -5.265 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.977 6.314 -4.587 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.788 7.259 -6.428 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.546 6.025 -6.921 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.218 7.746 -6.954 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.725 4.972 -7.386 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -1.162 4.998 -5.698 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.795 4.403 -6.082 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.343 6.834 -9.237 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.701 7.433 -8.901 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -3.034 5.685 -8.868 1.00 10.00 H new ATOM 226 N SER A 15 -0.895 6.937 -3.473 1.00 10.00 N ATOM 227 CA SER A 15 0.067 6.531 -2.442 1.00 10.00 C ATOM 228 C SER A 15 -0.552 6.537 -1.034 1.00 10.00 C ATOM 229 O SER A 15 -0.320 5.609 -0.256 1.00 10.00 O ATOM 230 CB SER A 15 1.321 7.410 -2.536 1.00 10.00 C ATOM 231 OG SER A 15 2.180 6.895 -3.533 1.00 10.00 O ATOM 0 H SER A 15 -0.610 7.761 -4.003 1.00 10.00 H new ATOM 0 HA SER A 15 0.359 5.497 -2.626 1.00 10.00 H new ATOM 0 HB2 SER A 15 1.042 8.436 -2.775 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.835 7.435 -1.575 1.00 10.00 H new ATOM 0 HG SER A 15 2.981 7.456 -3.596 1.00 10.00 H new ATOM 237 N SER A 16 -1.415 7.513 -0.725 1.00 10.00 N ATOM 238 CA SER A 16 -2.192 7.556 0.521 1.00 10.00 C ATOM 239 C SER A 16 -3.203 6.410 0.611 1.00 10.00 C ATOM 240 O SER A 16 -3.297 5.765 1.654 1.00 10.00 O ATOM 241 CB SER A 16 -2.936 8.889 0.662 1.00 10.00 C ATOM 242 OG SER A 16 -2.029 9.968 0.639 1.00 10.00 O ATOM 0 H SER A 16 -1.596 8.306 -1.341 1.00 10.00 H new ATOM 0 HA SER A 16 -1.473 7.449 1.334 1.00 10.00 H new ATOM 0 HB2 SER A 16 -3.658 8.996 -0.148 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.500 8.900 1.595 1.00 10.00 H new ATOM 0 HG SER A 16 -1.940 10.301 -0.278 1.00 10.00 H new ATOM 248 N PHE A 17 -3.925 6.108 -0.477 1.00 10.00 N ATOM 249 CA PHE A 17 -4.828 4.957 -0.554 1.00 10.00 C ATOM 250 C PHE A 17 -4.089 3.635 -0.303 1.00 10.00 C ATOM 251 O PHE A 17 -4.594 2.785 0.434 1.00 10.00 O ATOM 252 CB PHE A 17 -5.545 4.957 -1.915 1.00 10.00 C ATOM 253 CG PHE A 17 -6.266 3.663 -2.245 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.447 3.322 -1.558 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.736 2.780 -3.209 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.095 2.105 -1.831 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.388 1.564 -3.484 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.566 1.227 -2.793 1.00 10.00 C ATOM 0 H PHE A 17 -3.897 6.661 -1.333 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.574 5.046 0.236 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.266 5.775 -1.932 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.814 5.161 -2.697 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.855 3.997 -0.820 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -4.829 3.038 -3.736 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.000 1.844 -1.302 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -5.984 0.890 -4.225 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.065 0.292 -3.002 1.00 10.00 H new ATOM 268 N LEU A 18 -2.882 3.472 -0.855 1.00 10.00 N ATOM 269 CA LEU A 18 -2.032 2.305 -0.606 1.00 10.00 C ATOM 270 C LEU A 18 -1.565 2.240 0.856 1.00 10.00 C ATOM 271 O LEU A 18 -1.733 1.203 1.498 1.00 10.00 O ATOM 272 CB LEU A 18 -0.839 2.331 -1.578 1.00 10.00 C ATOM 273 CG LEU A 18 -1.237 2.161 -3.055 1.00 10.00 C ATOM 274 CD1 LEU A 18 -0.042 2.461 -3.962 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.758 0.759 -3.359 1.00 10.00 C ATOM 0 H LEU A 18 -2.465 4.152 -1.491 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.616 1.402 -0.782 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.308 3.275 -1.461 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.143 1.538 -1.305 1.00 10.00 H new ATOM 0 HG LEU A 18 -2.044 2.868 -3.249 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -0.336 2.337 -5.004 1.00 10.00 H new ATOM 0 HD12 LEU A 18 0.291 3.486 -3.798 1.00 10.00 H new ATOM 0 HD13 LEU A 18 0.772 1.774 -3.731 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.025 0.691 -4.414 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -0.984 0.026 -3.133 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -2.638 0.557 -2.748 1.00 10.00 H new ATOM 287 N HIS A 19 -1.053 3.346 1.411 1.00 10.00 N ATOM 288 CA HIS A 19 -0.662 3.430 2.823 1.00 10.00 C ATOM 289 C HIS A 19 -1.834 3.105 3.767 1.00 10.00 C ATOM 290 O HIS A 19 -1.674 2.308 4.698 1.00 10.00 O ATOM 291 CB HIS A 19 -0.079 4.827 3.087 1.00 10.00 C ATOM 292 CG HIS A 19 0.377 5.092 4.503 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.507 6.336 5.077 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.761 4.178 5.451 1.00 10.00 C ATOM 295 CE1 HIS A 19 0.958 6.172 6.332 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.132 4.871 6.605 1.00 10.00 N ATOM 0 H HIS A 19 -0.898 4.210 0.891 1.00 10.00 H new ATOM 0 HA HIS A 19 0.099 2.678 3.031 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.768 4.979 2.418 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.831 5.570 2.822 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.774 3.105 5.326 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.153 6.977 7.025 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.468 4.468 7.480 1.00 10.00 H new ATOM 304 N ASN A 20 -3.024 3.654 3.499 1.00 10.00 N ATOM 305 CA ASN A 20 -4.243 3.340 4.244 1.00 10.00 C ATOM 306 C ASN A 20 -4.657 1.870 4.066 1.00 10.00 C ATOM 307 O ASN A 20 -5.005 1.219 5.045 1.00 10.00 O ATOM 308 CB ASN A 20 -5.374 4.289 3.808 1.00 10.00 C ATOM 309 CG ASN A 20 -5.151 5.740 4.222 1.00 10.00 C ATOM 310 OD1 ASN A 20 -4.331 6.070 5.063 1.00 10.00 O ATOM 311 ND2 ASN A 20 -5.904 6.659 3.652 1.00 10.00 N ATOM 0 H ASN A 20 -3.167 4.334 2.752 1.00 10.00 H new ATOM 0 HA ASN A 20 -4.044 3.486 5.306 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.478 4.242 2.724 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.314 3.939 4.234 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -5.799 7.639 3.915 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -6.592 6.390 2.948 1.00 10.00 H new ATOM 318 N THR A 21 -4.558 1.319 2.848 1.00 10.00 N ATOM 319 CA THR A 21 -4.907 -0.081 2.555 1.00 10.00 C ATOM 320 C THR A 21 -4.034 -1.050 3.355 1.00 10.00 C ATOM 321 O THR A 21 -4.561 -1.959 3.998 1.00 10.00 O ATOM 322 CB THR A 21 -4.787 -0.373 1.046 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.670 0.461 0.332 1.00 10.00 O ATOM 324 CG2 THR A 21 -5.143 -1.815 0.676 1.00 10.00 C ATOM 0 H THR A 21 -4.231 1.835 2.031 1.00 10.00 H new ATOM 0 HA THR A 21 -5.944 -0.231 2.856 1.00 10.00 H new ATOM 0 HB THR A 21 -3.743 -0.194 0.789 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.217 1.300 0.107 1.00 10.00 H new ATOM 0 HG21 THR A 21 -5.037 -1.951 -0.400 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.473 -2.500 1.196 1.00 10.00 H new ATOM 0 HG23 THR A 21 -6.172 -2.022 0.968 1.00 10.00 H new ATOM 332 N ILE A 22 -2.711 -0.833 3.372 1.00 10.00 N ATOM 333 CA ILE A 22 -1.790 -1.636 4.189 1.00 10.00 C ATOM 334 C ILE A 22 -2.067 -1.421 5.681 1.00 10.00 C ATOM 335 O ILE A 22 -2.086 -2.391 6.436 1.00 10.00 O ATOM 336 CB ILE A 22 -0.318 -1.338 3.822 1.00 10.00 C ATOM 337 CG1 ILE A 22 -0.102 -1.710 2.347 1.00 10.00 C ATOM 338 CG2 ILE A 22 0.663 -2.132 4.699 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.339 -1.621 1.862 1.00 10.00 C ATOM 0 H ILE A 22 -2.253 -0.104 2.826 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.964 -2.690 3.973 1.00 10.00 H new ATOM 0 HB ILE A 22 -0.125 -0.279 3.991 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.460 -2.727 2.189 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.718 -1.056 1.730 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.686 -1.893 4.408 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.512 -1.867 5.745 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.488 -3.200 4.566 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.387 -1.903 0.810 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.701 -0.600 1.981 1.00 10.00 H new ATOM 0 HD13 ILE A 22 1.962 -2.297 2.447 1.00 10.00 H new ATOM 351 N SER A 23 -2.341 -0.176 6.096 1.00 10.00 N ATOM 352 CA SER A 23 -2.676 0.156 7.486 1.00 10.00 C ATOM 353 C SER A 23 -3.923 -0.596 7.968 1.00 10.00 C ATOM 354 O SER A 23 -3.844 -1.291 8.979 1.00 10.00 O ATOM 355 CB SER A 23 -2.859 1.667 7.667 1.00 10.00 C ATOM 356 OG SER A 23 -1.699 2.360 7.257 1.00 10.00 O ATOM 0 H SER A 23 -2.336 0.632 5.473 1.00 10.00 H new ATOM 0 HA SER A 23 -1.835 -0.166 8.101 1.00 10.00 H new ATOM 0 HB2 SER A 23 -3.717 2.007 7.087 1.00 10.00 H new ATOM 0 HB3 SER A 23 -3.072 1.890 8.712 1.00 10.00 H new ATOM 0 HG SER A 23 -1.648 2.363 6.278 1.00 10.00 H new ATOM 362 N ASP A 24 -5.038 -0.554 7.222 1.00 10.00 N ATOM 363 CA ASP A 24 -6.196 -1.413 7.480 1.00 10.00 C ATOM 364 C ASP A 24 -5.910 -2.912 7.437 1.00 10.00 C ATOM 365 O ASP A 24 -6.435 -3.634 8.284 1.00 10.00 O ATOM 366 CB ASP A 24 -7.341 -1.110 6.499 1.00 10.00 C ATOM 367 CG ASP A 24 -8.247 0.037 6.942 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.841 1.213 6.850 1.00 10.00 O ATOM 369 OD2 ASP A 24 -9.372 -0.327 7.375 1.00 10.00 O ATOM 0 H ASP A 24 -5.159 0.074 6.428 1.00 10.00 H new ATOM 0 HA ASP A 24 -6.480 -1.172 8.504 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.917 -0.870 5.524 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.945 -2.009 6.371 1.00 10.00 H new ATOM 374 N PHE A 25 -5.070 -3.396 6.518 1.00 10.00 N ATOM 375 CA PHE A 25 -4.774 -4.826 6.459 1.00 10.00 C ATOM 376 C PHE A 25 -3.998 -5.268 7.709 1.00 10.00 C ATOM 377 O PHE A 25 -4.372 -6.251 8.351 1.00 10.00 O ATOM 378 CB PHE A 25 -4.040 -5.148 5.153 1.00 10.00 C ATOM 379 CG PHE A 25 -4.048 -6.620 4.796 1.00 10.00 C ATOM 380 CD1 PHE A 25 -3.013 -7.460 5.237 1.00 10.00 C ATOM 381 CD2 PHE A 25 -5.070 -7.148 3.984 1.00 10.00 C ATOM 382 CE1 PHE A 25 -2.961 -8.797 4.814 1.00 10.00 C ATOM 383 CE2 PHE A 25 -5.046 -8.501 3.601 1.00 10.00 C ATOM 384 CZ PHE A 25 -3.977 -9.322 3.998 1.00 10.00 C ATOM 0 H PHE A 25 -4.592 -2.829 5.818 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.703 -5.397 6.457 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.498 -4.584 4.341 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -3.007 -4.809 5.234 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.255 -7.076 5.904 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.877 -6.511 3.654 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -2.136 -9.425 5.117 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.848 -8.908 3.003 1.00 10.00 H new ATOM 0 HZ PHE A 25 -3.937 -10.352 3.677 1.00 10.00 H new ATOM 394 N ILE A 26 -2.988 -4.489 8.122 1.00 10.00 N ATOM 395 CA ILE A 26 -2.235 -4.693 9.352 1.00 10.00 C ATOM 396 C ILE A 26 -3.175 -4.620 10.562 1.00 10.00 C ATOM 397 O ILE A 26 -3.252 -5.598 11.300 1.00 10.00 O ATOM 398 CB ILE A 26 -1.078 -3.665 9.377 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.007 -4.107 8.364 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.476 -3.487 10.774 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.145 -3.098 8.179 1.00 10.00 C ATOM 0 H ILE A 26 -2.669 -3.679 7.590 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.789 -5.687 9.398 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.482 -2.693 9.095 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.429 -5.057 8.693 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.465 -4.285 7.398 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.331 -2.755 10.732 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -1.247 -3.138 11.461 1.00 10.00 H new ATOM 0 HG23 ILE A 26 -0.082 -4.441 11.125 1.00 10.00 H new ATOM 0 HD11 ILE A 26 1.861 -3.486 7.454 1.00 10.00 H new ATOM 0 HD12 ILE A 26 0.738 -2.153 7.818 1.00 10.00 H new ATOM 0 HD13 ILE A 26 1.647 -2.937 9.133 1.00 10.00 H new ATOM 413 N LEU A 27 -3.971 -3.549 10.712 1.00 10.00 N ATOM 414 CA LEU A 27 -4.905 -3.373 11.839 1.00 10.00 C ATOM 415 C LEU A 27 -6.004 -4.448 11.920 1.00 10.00 C ATOM 416 O LEU A 27 -6.645 -4.574 12.963 1.00 10.00 O ATOM 417 CB LEU A 27 -5.532 -1.960 11.795 1.00 10.00 C ATOM 418 CG LEU A 27 -4.831 -0.880 12.645 1.00 10.00 C ATOM 419 CD1 LEU A 27 -5.054 -1.120 14.142 1.00 10.00 C ATOM 420 CD2 LEU A 27 -3.325 -0.758 12.389 1.00 10.00 C ATOM 0 H LEU A 27 -3.985 -2.774 10.049 1.00 10.00 H new ATOM 0 HA LEU A 27 -4.310 -3.491 12.745 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.548 -1.624 10.758 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.569 -2.034 12.122 1.00 10.00 H new ATOM 0 HG LEU A 27 -5.293 0.057 12.333 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.548 -0.343 14.714 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -6.122 -1.094 14.360 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.651 -2.094 14.418 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.910 0.023 13.026 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.839 -1.707 12.615 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -3.153 -0.503 11.343 1.00 10.00 H new ATOM 432 N LYS A 28 -6.206 -5.237 10.855 1.00 10.00 N ATOM 433 CA LYS A 28 -7.152 -6.362 10.811 1.00 10.00 C ATOM 434 C LYS A 28 -6.444 -7.723 10.657 1.00 10.00 C ATOM 435 O LYS A 28 -7.122 -8.731 10.466 1.00 10.00 O ATOM 436 CB LYS A 28 -8.237 -6.074 9.750 1.00 10.00 C ATOM 437 CG LYS A 28 -9.147 -4.911 10.207 1.00 10.00 C ATOM 438 CD LYS A 28 -10.144 -4.399 9.155 1.00 10.00 C ATOM 439 CE LYS A 28 -9.402 -3.708 8.007 1.00 10.00 C ATOM 440 NZ LYS A 28 -10.264 -2.809 7.204 1.00 10.00 N ATOM 0 H LYS A 28 -5.703 -5.107 9.977 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.660 -6.449 11.772 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -7.767 -5.823 8.799 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.837 -6.969 9.583 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -9.706 -5.234 11.085 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -8.515 -4.079 10.519 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -10.732 -5.231 8.768 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -10.843 -3.702 9.616 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -8.571 -3.133 8.416 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -8.973 -4.467 7.353 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -10.060 -2.944 6.193 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -11.263 -3.031 7.388 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -10.075 -1.821 7.467 1.00 10.00 H new ATOM 454 N ARG A 29 -5.108 -7.771 10.809 1.00 10.00 N ATOM 455 CA ARG A 29 -4.300 -9.007 10.823 1.00 10.00 C ATOM 456 C ARG A 29 -3.334 -9.142 12.015 1.00 10.00 C ATOM 457 O ARG A 29 -3.006 -10.268 12.377 1.00 10.00 O ATOM 458 CB ARG A 29 -3.562 -9.101 9.478 1.00 10.00 C ATOM 459 CG ARG A 29 -2.780 -10.412 9.295 1.00 10.00 C ATOM 460 CD ARG A 29 -2.354 -10.606 7.836 1.00 10.00 C ATOM 461 NE ARG A 29 -3.521 -10.898 6.982 1.00 10.00 N ATOM 462 CZ ARG A 29 -3.846 -12.065 6.442 1.00 10.00 C ATOM 463 NH1 ARG A 29 -3.120 -13.140 6.581 1.00 10.00 N ATOM 464 NH2 ARG A 29 -4.921 -12.175 5.702 1.00 10.00 N ATOM 0 H ARG A 29 -4.544 -6.929 10.929 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.983 -9.846 10.958 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -4.285 -9.003 8.669 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.872 -8.261 9.392 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -1.898 -10.405 9.936 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -3.397 -11.253 9.611 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -1.851 -9.708 7.477 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -1.635 -11.423 7.768 1.00 10.00 H new ATOM 0 HE ARG A 29 -4.147 -10.117 6.785 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.258 -13.107 7.126 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -3.414 -14.014 6.145 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -5.513 -11.361 5.538 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -5.166 -13.075 5.289 1.00 10.00 H new ATOM 478 N VAL A 30 -2.903 -8.044 12.645 1.00 10.00 N ATOM 479 CA VAL A 30 -1.964 -8.029 13.783 1.00 10.00 C ATOM 480 C VAL A 30 -2.267 -6.813 14.678 1.00 10.00 C ATOM 481 O VAL A 30 -2.740 -5.786 14.191 1.00 10.00 O ATOM 482 CB VAL A 30 -0.516 -8.079 13.246 1.00 10.00 C ATOM 483 CG1 VAL A 30 -0.141 -6.866 12.386 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.517 -8.270 14.357 1.00 10.00 C ATOM 0 H VAL A 30 -3.205 -7.109 12.372 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.086 -8.908 14.416 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.495 -8.957 12.601 1.00 10.00 H new ATOM 0 HG11 VAL A 30 0.889 -6.968 12.043 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.807 -6.811 11.525 1.00 10.00 H new ATOM 0 HG13 VAL A 30 -0.238 -5.956 12.978 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.517 -8.298 13.923 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.450 -7.441 15.062 1.00 10.00 H new ATOM 0 HG23 VAL A 30 0.321 -9.207 14.879 1.00 10.00 H new ATOM 494 N SER A 31 -2.049 -6.909 15.996 1.00 10.00 N ATOM 495 CA SER A 31 -2.582 -5.905 16.926 1.00 10.00 C ATOM 496 C SER A 31 -1.700 -4.672 17.169 1.00 10.00 C ATOM 497 O SER A 31 -0.520 -4.751 17.486 1.00 10.00 O ATOM 498 CB SER A 31 -2.917 -6.578 18.262 1.00 10.00 C ATOM 499 OG SER A 31 -3.465 -5.635 19.168 1.00 10.00 O ATOM 0 H SER A 31 -1.516 -7.659 16.437 1.00 10.00 H new ATOM 0 HA SER A 31 -3.471 -5.510 16.435 1.00 10.00 H new ATOM 0 HB2 SER A 31 -3.626 -7.390 18.100 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.017 -7.021 18.689 1.00 10.00 H new ATOM 0 HG SER A 31 -3.675 -6.080 20.016 1.00 10.00 H new ATOM 505 N ALA A 32 -2.329 -3.498 17.173 1.00 10.00 N ATOM 506 CA ALA A 32 -1.760 -2.239 17.660 1.00 10.00 C ATOM 507 C ALA A 32 -1.151 -2.357 19.080 1.00 10.00 C ATOM 508 O ALA A 32 -0.314 -1.541 19.450 1.00 10.00 O ATOM 509 CB ALA A 32 -2.837 -1.153 17.591 1.00 10.00 C ATOM 0 H ALA A 32 -3.282 -3.392 16.826 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.924 -1.968 17.015 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -2.426 -0.210 17.951 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -3.168 -1.034 16.559 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -3.684 -1.441 18.213 1.00 10.00 H new ATOM 515 N LYS A 33 -1.598 -3.323 19.905 1.00 10.00 N ATOM 516 CA LYS A 33 -0.995 -3.620 21.216 1.00 10.00 C ATOM 517 C LYS A 33 0.397 -4.286 21.142 1.00 10.00 C ATOM 518 O LYS A 33 1.151 -4.196 22.106 1.00 10.00 O ATOM 519 CB LYS A 33 -1.983 -4.474 22.032 1.00 10.00 C ATOM 520 CG LYS A 33 -1.625 -4.510 23.526 1.00 10.00 C ATOM 521 CD LYS A 33 -2.620 -5.346 24.334 1.00 10.00 C ATOM 522 CE LYS A 33 -2.163 -5.363 25.797 1.00 10.00 C ATOM 523 NZ LYS A 33 -3.008 -6.255 26.623 1.00 10.00 N ATOM 0 H LYS A 33 -2.392 -3.922 19.678 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.813 -2.667 21.712 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.990 -4.075 21.911 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -1.993 -5.490 21.638 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.623 -4.921 23.649 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.603 -3.493 23.918 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.622 -4.924 24.255 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.670 -6.361 23.940 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -1.125 -5.692 25.851 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -2.198 -4.351 26.201 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -2.669 -6.241 27.606 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -3.994 -5.926 26.592 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -2.955 -7.225 26.252 1.00 10.00 H new ATOM 537 N GLU A 34 0.749 -4.936 20.026 1.00 10.00 N ATOM 538 CA GLU A 34 2.048 -5.607 19.807 1.00 10.00 C ATOM 539 C GLU A 34 2.893 -4.879 18.745 1.00 10.00 C ATOM 540 O GLU A 34 4.121 -4.882 18.842 1.00 10.00 O ATOM 541 CB GLU A 34 1.847 -7.107 19.470 1.00 10.00 C ATOM 542 CG GLU A 34 0.969 -7.320 18.226 1.00 10.00 C ATOM 543 CD GLU A 34 0.549 -8.755 17.910 1.00 10.00 C ATOM 544 OE1 GLU A 34 1.344 -9.682 18.169 1.00 10.00 O ATOM 545 OE2 GLU A 34 -0.588 -8.883 17.386 1.00 10.00 O ATOM 0 H GLU A 34 0.124 -5.015 19.224 1.00 10.00 H new ATOM 0 HA GLU A 34 2.612 -5.557 20.738 1.00 10.00 H new ATOM 0 HB2 GLU A 34 2.819 -7.573 19.308 1.00 10.00 H new ATOM 0 HB3 GLU A 34 1.391 -7.609 20.323 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.066 -6.721 18.342 1.00 10.00 H new ATOM 0 HG3 GLU A 34 1.504 -6.926 17.362 1.00 10.00 H new ATOM 552 N ILE A 35 2.245 -4.213 17.776 1.00 10.00 N ATOM 553 CA ILE A 35 2.876 -3.286 16.834 1.00 10.00 C ATOM 554 C ILE A 35 3.260 -2.001 17.578 1.00 10.00 C ATOM 555 O ILE A 35 2.392 -1.245 18.008 1.00 10.00 O ATOM 556 CB ILE A 35 1.929 -2.958 15.648 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.437 -4.179 14.837 1.00 10.00 C ATOM 558 CG2 ILE A 35 2.598 -1.969 14.675 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.509 -5.224 14.549 1.00 10.00 C ATOM 0 H ILE A 35 1.241 -4.310 17.625 1.00 10.00 H new ATOM 0 HA ILE A 35 3.769 -3.756 16.422 1.00 10.00 H new ATOM 0 HB ILE A 35 1.050 -2.523 16.123 1.00 10.00 H new ATOM 0 HG12 ILE A 35 0.621 -4.655 15.381 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.027 -3.828 13.890 1.00 10.00 H new ATOM 0 HG21 ILE A 35 1.918 -1.753 13.851 1.00 10.00 H new ATOM 0 HG22 ILE A 35 2.836 -1.045 15.202 1.00 10.00 H new ATOM 0 HG23 ILE A 35 3.515 -2.409 14.282 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.074 -6.043 13.976 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.316 -4.769 13.975 1.00 10.00 H new ATOM 0 HD13 ILE A 35 2.904 -5.608 15.489 1.00 10.00 H new ATOM 571 N VAL A 36 4.562 -1.735 17.696 1.00 10.00 N ATOM 572 CA VAL A 36 5.100 -0.452 18.158 1.00 10.00 C ATOM 573 C VAL A 36 4.836 0.625 17.103 1.00 10.00 C ATOM 574 O VAL A 36 4.296 1.676 17.442 1.00 10.00 O ATOM 575 CB VAL A 36 6.609 -0.590 18.457 1.00 10.00 C ATOM 576 CG1 VAL A 36 7.337 0.756 18.573 1.00 10.00 C ATOM 577 CG2 VAL A 36 6.806 -1.359 19.768 1.00 10.00 C ATOM 0 H VAL A 36 5.286 -2.417 17.469 1.00 10.00 H new ATOM 0 HA VAL A 36 4.602 -0.155 19.081 1.00 10.00 H new ATOM 0 HB VAL A 36 7.039 -1.124 17.610 1.00 10.00 H new ATOM 0 HG11 VAL A 36 8.392 0.582 18.784 1.00 10.00 H new ATOM 0 HG12 VAL A 36 7.240 1.304 17.636 1.00 10.00 H new ATOM 0 HG13 VAL A 36 6.897 1.339 19.382 1.00 10.00 H new ATOM 0 HG21 VAL A 36 7.871 -1.455 19.977 1.00 10.00 H new ATOM 0 HG22 VAL A 36 6.324 -0.819 20.583 1.00 10.00 H new ATOM 0 HG23 VAL A 36 6.363 -2.351 19.678 1.00 10.00 H new ATOM 587 N ASP A 37 5.193 0.363 15.837 1.00 10.00 N ATOM 588 CA ASP A 37 4.935 1.279 14.715 1.00 10.00 C ATOM 589 C ASP A 37 5.085 0.576 13.345 1.00 10.00 C ATOM 590 O ASP A 37 5.467 -0.596 13.280 1.00 10.00 O ATOM 591 CB ASP A 37 5.859 2.520 14.815 1.00 10.00 C ATOM 592 CG ASP A 37 5.204 3.805 14.288 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.276 3.686 13.454 1.00 10.00 O ATOM 594 OD2 ASP A 37 5.640 4.891 14.728 1.00 10.00 O ATOM 0 H ASP A 37 5.671 -0.495 15.561 1.00 10.00 H new ATOM 0 HA ASP A 37 3.899 1.609 14.785 1.00 10.00 H new ATOM 0 HB2 ASP A 37 6.148 2.667 15.856 1.00 10.00 H new ATOM 0 HB3 ASP A 37 6.774 2.330 14.254 1.00 10.00 H new ATOM 599 N ILE A 38 4.816 1.295 12.247 1.00 10.00 N ATOM 600 CA ILE A 38 4.986 0.821 10.865 1.00 10.00 C ATOM 601 C ILE A 38 5.614 1.885 9.960 1.00 10.00 C ATOM 602 O ILE A 38 5.292 3.066 10.055 1.00 10.00 O ATOM 603 CB ILE A 38 3.660 0.308 10.242 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.568 1.392 10.073 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.133 -0.882 11.052 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.284 0.892 9.394 1.00 10.00 C ATOM 0 H ILE A 38 4.464 2.251 12.296 1.00 10.00 H new ATOM 0 HA ILE A 38 5.674 -0.022 10.930 1.00 10.00 H new ATOM 0 HB ILE A 38 3.901 -0.007 9.227 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.314 1.792 11.055 1.00 10.00 H new ATOM 0 HG13 ILE A 38 2.977 2.216 9.489 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.202 -1.239 10.611 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.870 -1.685 11.041 1.00 10.00 H new ATOM 0 HG23 ILE A 38 2.951 -0.570 12.080 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.571 1.713 9.314 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.521 0.519 8.398 1.00 10.00 H new ATOM 0 HD13 ILE A 38 0.848 0.089 9.988 1.00 10.00 H new ATOM 618 N ASP A 39 6.467 1.440 9.034 1.00 10.00 N ATOM 619 CA ASP A 39 6.976 2.257 7.929 1.00 10.00 C ATOM 620 C ASP A 39 6.471 1.679 6.609 1.00 10.00 C ATOM 621 O ASP A 39 6.951 0.636 6.168 1.00 10.00 O ATOM 622 CB ASP A 39 8.514 2.332 7.907 1.00 10.00 C ATOM 623 CG ASP A 39 9.135 3.331 8.881 1.00 10.00 C ATOM 624 OD1 ASP A 39 8.580 4.441 9.019 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.218 2.994 9.417 1.00 10.00 O ATOM 0 H ASP A 39 6.829 0.487 9.031 1.00 10.00 H new ATOM 0 HA ASP A 39 6.609 3.273 8.072 1.00 10.00 H new ATOM 0 HB2 ASP A 39 8.912 1.341 8.126 1.00 10.00 H new ATOM 0 HB3 ASP A 39 8.834 2.588 6.897 1.00 10.00 H new ATOM 630 N ILE A 40 5.516 2.357 5.961 1.00 10.00 N ATOM 631 CA ILE A 40 5.124 2.032 4.587 1.00 10.00 C ATOM 632 C ILE A 40 5.754 3.085 3.676 1.00 10.00 C ATOM 633 O ILE A 40 5.526 4.280 3.855 1.00 10.00 O ATOM 634 CB ILE A 40 3.592 1.977 4.390 1.00 10.00 C ATOM 635 CG1 ILE A 40 2.797 1.108 5.396 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.308 1.474 2.963 1.00 10.00 C ATOM 637 CD1 ILE A 40 3.436 -0.218 5.819 1.00 10.00 C ATOM 0 H ILE A 40 5.000 3.136 6.369 1.00 10.00 H new ATOM 0 HA ILE A 40 5.480 1.031 4.342 1.00 10.00 H new ATOM 0 HB ILE A 40 3.242 2.994 4.569 1.00 10.00 H new ATOM 0 HG12 ILE A 40 2.621 1.702 6.293 1.00 10.00 H new ATOM 0 HG13 ILE A 40 1.821 0.891 4.961 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.231 1.427 2.801 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.754 2.158 2.241 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.738 0.480 2.835 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.780 -0.729 6.524 1.00 10.00 H new ATOM 0 HD12 ILE A 40 3.585 -0.846 4.941 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.398 -0.023 6.294 1.00 10.00 H new ATOM 649 N THR A 41 6.520 2.639 2.677 1.00 10.00 N ATOM 650 CA THR A 41 7.111 3.510 1.658 1.00 10.00 C ATOM 651 C THR A 41 6.522 3.132 0.302 1.00 10.00 C ATOM 652 O THR A 41 6.680 2.008 -0.176 1.00 10.00 O ATOM 653 CB THR A 41 8.643 3.391 1.650 1.00 10.00 C ATOM 654 OG1 THR A 41 9.145 3.540 2.957 1.00 10.00 O ATOM 655 CG2 THR A 41 9.291 4.490 0.807 1.00 10.00 C ATOM 0 H THR A 41 6.750 1.653 2.552 1.00 10.00 H new ATOM 0 HA THR A 41 6.876 4.550 1.882 1.00 10.00 H new ATOM 0 HB THR A 41 8.878 2.411 1.235 1.00 10.00 H new ATOM 0 HG1 THR A 41 10.122 3.461 2.943 1.00 10.00 H new ATOM 0 HG21 THR A 41 10.374 4.372 0.826 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.936 4.417 -0.221 1.00 10.00 H new ATOM 0 HG23 THR A 41 9.025 5.465 1.214 1.00 10.00 H new ATOM 663 N VAL A 42 5.826 4.099 -0.295 1.00 10.00 N ATOM 664 CA VAL A 42 5.090 4.003 -1.554 1.00 10.00 C ATOM 665 C VAL A 42 5.726 4.935 -2.581 1.00 10.00 C ATOM 666 O VAL A 42 5.756 6.150 -2.383 1.00 10.00 O ATOM 667 CB VAL A 42 3.598 4.347 -1.329 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.822 3.111 -0.872 1.00 10.00 C ATOM 669 CG2 VAL A 42 3.348 5.460 -0.292 1.00 10.00 C ATOM 0 H VAL A 42 5.757 5.030 0.115 1.00 10.00 H new ATOM 0 HA VAL A 42 5.140 2.982 -1.933 1.00 10.00 H new ATOM 0 HB VAL A 42 3.253 4.709 -2.298 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.775 3.374 -0.719 1.00 10.00 H new ATOM 0 HG12 VAL A 42 2.894 2.334 -1.633 1.00 10.00 H new ATOM 0 HG13 VAL A 42 3.243 2.742 0.063 1.00 10.00 H new ATOM 0 HG21 VAL A 42 2.276 5.636 -0.198 1.00 10.00 H new ATOM 0 HG22 VAL A 42 3.752 5.155 0.673 1.00 10.00 H new ATOM 0 HG23 VAL A 42 3.839 6.377 -0.617 1.00 10.00 H new ATOM 679 N LEU A 43 6.224 4.367 -3.679 1.00 10.00 N ATOM 680 CA LEU A 43 6.841 5.092 -4.783 1.00 10.00 C ATOM 681 C LEU A 43 5.970 4.920 -6.026 1.00 10.00 C ATOM 682 O LEU A 43 5.460 3.834 -6.299 1.00 10.00 O ATOM 683 CB LEU A 43 8.270 4.589 -5.068 1.00 10.00 C ATOM 684 CG LEU A 43 9.341 4.712 -3.965 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.331 6.070 -3.257 1.00 10.00 C ATOM 686 CD2 LEU A 43 9.271 3.582 -2.932 1.00 10.00 C ATOM 0 H LEU A 43 6.207 3.358 -3.827 1.00 10.00 H new ATOM 0 HA LEU A 43 6.916 6.145 -4.512 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.200 3.536 -5.342 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.638 5.123 -5.944 1.00 10.00 H new ATOM 0 HG LEU A 43 10.287 4.624 -4.499 1.00 10.00 H new ATOM 0 HD11 LEU A 43 10.109 6.088 -2.494 1.00 10.00 H new ATOM 0 HD12 LEU A 43 9.517 6.861 -3.984 1.00 10.00 H new ATOM 0 HD13 LEU A 43 8.360 6.229 -2.789 1.00 10.00 H new ATOM 0 HD21 LEU A 43 10.050 3.725 -2.183 1.00 10.00 H new ATOM 0 HD22 LEU A 43 8.295 3.592 -2.447 1.00 10.00 H new ATOM 0 HD23 LEU A 43 9.419 2.624 -3.430 1.00 10.00 H new ATOM 698 N VAL A 44 5.808 6.007 -6.779 1.00 10.00 N ATOM 699 CA VAL A 44 5.034 6.050 -8.019 1.00 10.00 C ATOM 700 C VAL A 44 5.786 6.910 -9.036 1.00 10.00 C ATOM 701 O VAL A 44 6.250 8.001 -8.709 1.00 10.00 O ATOM 702 CB VAL A 44 3.586 6.517 -7.747 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.466 7.833 -6.966 1.00 10.00 C ATOM 704 CG2 VAL A 44 2.801 6.639 -9.061 1.00 10.00 C ATOM 0 H VAL A 44 6.223 6.907 -6.537 1.00 10.00 H new ATOM 0 HA VAL A 44 4.934 5.053 -8.448 1.00 10.00 H new ATOM 0 HB VAL A 44 3.162 5.742 -7.108 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.413 8.078 -6.825 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.947 7.724 -5.994 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.953 8.633 -7.524 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.784 6.969 -8.848 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.290 7.365 -9.711 1.00 10.00 H new ATOM 0 HG23 VAL A 44 2.771 5.670 -9.558 1.00 10.00 H new ATOM 714 N GLU A 45 5.937 6.391 -10.256 1.00 10.00 N ATOM 715 CA GLU A 45 6.789 6.953 -11.307 1.00 10.00 C ATOM 716 C GLU A 45 6.191 6.691 -12.696 1.00 10.00 C ATOM 717 O GLU A 45 5.370 5.785 -12.874 1.00 10.00 O ATOM 718 CB GLU A 45 8.209 6.346 -11.208 1.00 10.00 C ATOM 719 CG GLU A 45 9.273 7.368 -10.774 1.00 10.00 C ATOM 720 CD GLU A 45 9.660 8.354 -11.888 1.00 10.00 C ATOM 721 OE1 GLU A 45 8.750 8.788 -12.633 1.00 10.00 O ATOM 722 OE2 GLU A 45 10.869 8.658 -11.991 1.00 10.00 O ATOM 0 H GLU A 45 5.455 5.541 -10.549 1.00 10.00 H new ATOM 0 HA GLU A 45 6.850 8.032 -11.166 1.00 10.00 H new ATOM 0 HB2 GLU A 45 8.196 5.520 -10.497 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.488 5.929 -12.176 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.900 7.928 -9.916 1.00 10.00 H new ATOM 0 HG3 GLU A 45 10.165 6.835 -10.444 1.00 10.00 H new ATOM 729 N TYR A 46 6.615 7.474 -13.694 1.00 10.00 N ATOM 730 CA TYR A 46 6.135 7.320 -15.064 1.00 10.00 C ATOM 731 C TYR A 46 7.283 7.619 -16.041 1.00 10.00 C ATOM 732 O TYR A 46 7.591 8.770 -16.344 1.00 10.00 O ATOM 733 CB TYR A 46 4.898 8.211 -15.272 1.00 10.00 C ATOM 734 CG TYR A 46 4.009 7.814 -16.440 1.00 10.00 C ATOM 735 CD1 TYR A 46 4.504 7.696 -17.756 1.00 10.00 C ATOM 736 CD2 TYR A 46 2.657 7.517 -16.177 1.00 10.00 C ATOM 737 CE1 TYR A 46 3.654 7.261 -18.792 1.00 10.00 C ATOM 738 CE2 TYR A 46 1.798 7.104 -17.210 1.00 10.00 C ATOM 739 CZ TYR A 46 2.300 6.967 -18.523 1.00 10.00 C ATOM 740 OH TYR A 46 1.479 6.564 -19.529 1.00 10.00 O ATOM 0 H TYR A 46 7.295 8.225 -13.573 1.00 10.00 H new ATOM 0 HA TYR A 46 5.818 6.295 -15.259 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.301 8.197 -14.360 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.230 9.239 -15.420 1.00 10.00 H new ATOM 0 HD1 TYR A 46 5.534 7.939 -17.969 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.276 7.608 -15.170 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.040 7.152 -19.795 1.00 10.00 H new ATOM 0 HE2 TYR A 46 0.760 6.893 -17.001 1.00 10.00 H new ATOM 0 HH TYR A 46 0.580 6.402 -19.173 1.00 10.00 H new ATOM 750 N THR A 47 7.910 6.556 -16.549 1.00 10.00 N ATOM 751 CA THR A 47 9.079 6.594 -17.441 1.00 10.00 C ATOM 752 C THR A 47 8.814 5.674 -18.636 1.00 10.00 C ATOM 753 O THR A 47 9.274 4.532 -18.653 1.00 10.00 O ATOM 754 CB THR A 47 10.378 6.259 -16.671 1.00 10.00 C ATOM 755 OG1 THR A 47 11.393 5.910 -17.584 1.00 10.00 O ATOM 756 CG2 THR A 47 10.266 5.106 -15.664 1.00 10.00 C ATOM 0 H THR A 47 7.607 5.604 -16.344 1.00 10.00 H new ATOM 0 HA THR A 47 9.232 7.601 -17.828 1.00 10.00 H new ATOM 0 HB THR A 47 10.601 7.163 -16.105 1.00 10.00 H new ATOM 0 HG1 THR A 47 12.215 5.700 -17.094 1.00 10.00 H new ATOM 0 HG21 THR A 47 11.230 4.952 -15.179 1.00 10.00 H new ATOM 0 HG22 THR A 47 9.516 5.351 -14.912 1.00 10.00 H new ATOM 0 HG23 THR A 47 9.973 4.195 -16.185 1.00 10.00 H new ATOM 764 N ASP A 48 8.056 6.177 -19.620 1.00 10.00 N ATOM 765 CA ASP A 48 7.440 5.437 -20.743 1.00 10.00 C ATOM 766 C ASP A 48 6.379 4.425 -20.258 1.00 10.00 C ATOM 767 O ASP A 48 5.258 4.407 -20.762 1.00 10.00 O ATOM 768 CB ASP A 48 8.507 4.815 -21.660 1.00 10.00 C ATOM 769 CG ASP A 48 7.927 4.434 -23.023 1.00 10.00 C ATOM 770 OD1 ASP A 48 7.539 5.374 -23.754 1.00 10.00 O ATOM 771 OD2 ASP A 48 7.897 3.221 -23.323 1.00 10.00 O ATOM 0 H ASP A 48 7.840 7.173 -19.661 1.00 10.00 H new ATOM 0 HA ASP A 48 6.896 6.156 -21.356 1.00 10.00 H new ATOM 0 HB2 ASP A 48 9.326 5.521 -21.797 1.00 10.00 H new ATOM 0 HB3 ASP A 48 8.926 3.930 -21.182 1.00 10.00 H new ATOM 776 N GLU A 49 6.689 3.678 -19.195 1.00 10.00 N ATOM 777 CA GLU A 49 5.753 2.872 -18.421 1.00 10.00 C ATOM 778 C GLU A 49 5.314 3.632 -17.161 1.00 10.00 C ATOM 779 O GLU A 49 6.075 4.418 -16.593 1.00 10.00 O ATOM 780 CB GLU A 49 6.450 1.619 -17.869 1.00 10.00 C ATOM 781 CG GLU A 49 6.769 0.489 -18.847 1.00 10.00 C ATOM 782 CD GLU A 49 7.121 -0.733 -17.993 1.00 10.00 C ATOM 783 OE1 GLU A 49 6.192 -1.499 -17.644 1.00 10.00 O ATOM 784 OE2 GLU A 49 8.253 -0.801 -17.457 1.00 10.00 O ATOM 0 H GLU A 49 7.643 3.619 -18.838 1.00 10.00 H new ATOM 0 HA GLU A 49 4.923 2.634 -19.086 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.385 1.933 -17.405 1.00 10.00 H new ATOM 0 HB3 GLU A 49 5.823 1.209 -17.077 1.00 10.00 H new ATOM 0 HG2 GLU A 49 5.915 0.280 -19.491 1.00 10.00 H new ATOM 0 HG3 GLU A 49 7.600 0.761 -19.498 1.00 10.00 H new ATOM 791 N LEU A 50 4.128 3.282 -16.653 1.00 10.00 N ATOM 792 CA LEU A 50 3.661 3.655 -15.320 1.00 10.00 C ATOM 793 C LEU A 50 4.227 2.600 -14.358 1.00 10.00 C ATOM 794 O LEU A 50 4.072 1.399 -14.598 1.00 10.00 O ATOM 795 CB LEU A 50 2.118 3.638 -15.304 1.00 10.00 C ATOM 796 CG LEU A 50 1.473 3.751 -13.905 1.00 10.00 C ATOM 797 CD1 LEU A 50 1.765 5.087 -13.218 1.00 10.00 C ATOM 798 CD2 LEU A 50 -0.046 3.588 -14.020 1.00 10.00 C ATOM 0 H LEU A 50 3.453 2.719 -17.171 1.00 10.00 H new ATOM 0 HA LEU A 50 3.988 4.654 -15.031 1.00 10.00 H new ATOM 0 HB2 LEU A 50 1.755 4.460 -15.921 1.00 10.00 H new ATOM 0 HB3 LEU A 50 1.776 2.714 -15.771 1.00 10.00 H new ATOM 0 HG LEU A 50 1.911 2.959 -13.297 1.00 10.00 H new ATOM 0 HD11 LEU A 50 1.285 5.106 -12.240 1.00 10.00 H new ATOM 0 HD12 LEU A 50 2.842 5.206 -13.096 1.00 10.00 H new ATOM 0 HD13 LEU A 50 1.377 5.902 -13.828 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -0.496 3.668 -13.031 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -0.448 4.368 -14.666 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -0.276 2.611 -14.445 1.00 10.00 H new ATOM 810 N LYS A 51 4.877 3.035 -13.274 1.00 10.00 N ATOM 811 CA LYS A 51 5.463 2.141 -12.272 1.00 10.00 C ATOM 812 C LYS A 51 5.006 2.558 -10.872 1.00 10.00 C ATOM 813 O LYS A 51 4.955 3.747 -10.557 1.00 10.00 O ATOM 814 CB LYS A 51 6.999 2.156 -12.414 1.00 10.00 C ATOM 815 CG LYS A 51 7.650 0.815 -12.027 1.00 10.00 C ATOM 816 CD LYS A 51 7.961 -0.108 -13.221 1.00 10.00 C ATOM 817 CE LYS A 51 6.748 -0.467 -14.091 1.00 10.00 C ATOM 818 NZ LYS A 51 7.114 -1.451 -15.140 1.00 10.00 N ATOM 0 H LYS A 51 5.012 4.024 -13.066 1.00 10.00 H new ATOM 0 HA LYS A 51 5.122 1.118 -12.431 1.00 10.00 H new ATOM 0 HB2 LYS A 51 7.261 2.397 -13.444 1.00 10.00 H new ATOM 0 HB3 LYS A 51 7.409 2.948 -11.787 1.00 10.00 H new ATOM 0 HG2 LYS A 51 8.576 1.016 -11.488 1.00 10.00 H new ATOM 0 HG3 LYS A 51 6.988 0.289 -11.339 1.00 10.00 H new ATOM 0 HD2 LYS A 51 8.711 0.374 -13.849 1.00 10.00 H new ATOM 0 HD3 LYS A 51 8.405 -1.029 -12.844 1.00 10.00 H new ATOM 0 HE2 LYS A 51 5.956 -0.877 -13.464 1.00 10.00 H new ATOM 0 HE3 LYS A 51 6.351 0.435 -14.557 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 6.310 -1.586 -15.785 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 7.932 -1.099 -15.676 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 7.357 -2.359 -14.695 1.00 10.00 H new ATOM 832 N VAL A 52 4.659 1.568 -10.047 1.00 10.00 N ATOM 833 CA VAL A 52 4.306 1.747 -8.636 1.00 10.00 C ATOM 834 C VAL A 52 5.003 0.650 -7.844 1.00 10.00 C ATOM 835 O VAL A 52 4.902 -0.526 -8.193 1.00 10.00 O ATOM 836 CB VAL A 52 2.782 1.704 -8.389 1.00 10.00 C ATOM 837 CG1 VAL A 52 2.469 1.973 -6.906 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.028 2.752 -9.219 1.00 10.00 C ATOM 0 H VAL A 52 4.614 0.595 -10.349 1.00 10.00 H new ATOM 0 HA VAL A 52 4.633 2.736 -8.315 1.00 10.00 H new ATOM 0 HB VAL A 52 2.453 0.708 -8.685 1.00 10.00 H new ATOM 0 HG11 VAL A 52 1.391 1.939 -6.750 1.00 10.00 H new ATOM 0 HG12 VAL A 52 2.949 1.213 -6.289 1.00 10.00 H new ATOM 0 HG13 VAL A 52 2.845 2.957 -6.628 1.00 10.00 H new ATOM 0 HG21 VAL A 52 0.960 2.682 -9.010 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.384 3.748 -8.957 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.203 2.571 -10.279 1.00 10.00 H new ATOM 848 N ASP A 53 5.680 1.043 -6.769 1.00 10.00 N ATOM 849 CA ASP A 53 6.550 0.178 -5.984 1.00 10.00 C ATOM 850 C ASP A 53 6.298 0.448 -4.501 1.00 10.00 C ATOM 851 O ASP A 53 6.237 1.599 -4.062 1.00 10.00 O ATOM 852 CB ASP A 53 8.014 0.450 -6.356 1.00 10.00 C ATOM 853 CG ASP A 53 8.327 0.101 -7.816 1.00 10.00 C ATOM 854 OD1 ASP A 53 8.179 0.998 -8.679 1.00 10.00 O ATOM 855 OD2 ASP A 53 8.726 -1.061 -8.050 1.00 10.00 O ATOM 0 H ASP A 53 5.636 1.997 -6.412 1.00 10.00 H new ATOM 0 HA ASP A 53 6.338 -0.871 -6.193 1.00 10.00 H new ATOM 0 HB2 ASP A 53 8.240 1.502 -6.182 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.665 -0.129 -5.701 1.00 10.00 H new ATOM 860 N ILE A 54 6.118 -0.624 -3.729 1.00 10.00 N ATOM 861 CA ILE A 54 5.665 -0.557 -2.342 1.00 10.00 C ATOM 862 C ILE A 54 6.572 -1.434 -1.477 1.00 10.00 C ATOM 863 O ILE A 54 6.739 -2.627 -1.752 1.00 10.00 O ATOM 864 CB ILE A 54 4.187 -1.001 -2.207 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.240 -0.436 -3.293 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.693 -0.602 -0.806 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.802 -0.969 -3.189 1.00 10.00 C ATOM 0 H ILE A 54 6.285 -1.576 -4.055 1.00 10.00 H new ATOM 0 HA ILE A 54 5.723 0.477 -2.003 1.00 10.00 H new ATOM 0 HB ILE A 54 4.162 -2.081 -2.352 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.222 0.651 -3.219 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.640 -0.682 -4.277 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.653 -0.905 -0.687 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.304 -1.096 -0.050 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.772 0.479 -0.686 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.194 -0.531 -3.981 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.808 -2.054 -3.293 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.384 -0.700 -2.219 1.00 10.00 H new ATOM 879 N SER A 55 7.087 -0.837 -0.400 1.00 10.00 N ATOM 880 CA SER A 55 7.914 -1.486 0.618 1.00 10.00 C ATOM 881 C SER A 55 7.316 -1.205 1.994 1.00 10.00 C ATOM 882 O SER A 55 6.857 -0.093 2.253 1.00 10.00 O ATOM 883 CB SER A 55 9.343 -0.935 0.565 1.00 10.00 C ATOM 884 OG SER A 55 9.978 -1.309 -0.640 1.00 10.00 O ATOM 0 H SER A 55 6.933 0.152 -0.206 1.00 10.00 H new ATOM 0 HA SER A 55 7.941 -2.560 0.432 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.322 0.152 0.649 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.914 -1.310 1.414 1.00 10.00 H new ATOM 0 HG SER A 55 10.888 -0.947 -0.656 1.00 10.00 H new ATOM 890 N ALA A 56 7.317 -2.204 2.879 1.00 10.00 N ATOM 891 CA ALA A 56 6.790 -2.075 4.232 1.00 10.00 C ATOM 892 C ALA A 56 7.762 -2.610 5.287 1.00 10.00 C ATOM 893 O ALA A 56 8.472 -3.586 5.045 1.00 10.00 O ATOM 894 CB ALA A 56 5.446 -2.803 4.306 1.00 10.00 C ATOM 0 H ALA A 56 7.687 -3.131 2.671 1.00 10.00 H new ATOM 0 HA ALA A 56 6.653 -1.016 4.453 1.00 10.00 H new ATOM 0 HB1 ALA A 56 5.039 -2.715 5.313 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.751 -2.357 3.594 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.589 -3.856 4.063 1.00 10.00 H new ATOM 900 N GLU A 57 7.711 -2.010 6.476 1.00 10.00 N ATOM 901 CA GLU A 57 8.358 -2.489 7.692 1.00 10.00 C ATOM 902 C GLU A 57 7.354 -2.432 8.852 1.00 10.00 C ATOM 903 O GLU A 57 6.539 -1.508 8.947 1.00 10.00 O ATOM 904 CB GLU A 57 9.638 -1.685 8.003 1.00 10.00 C ATOM 905 CG GLU A 57 10.904 -2.559 8.021 1.00 10.00 C ATOM 906 CD GLU A 57 10.958 -3.544 9.201 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.991 -4.329 9.349 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.973 -3.517 9.931 1.00 10.00 O ATOM 0 H GLU A 57 7.196 -1.142 6.622 1.00 10.00 H new ATOM 0 HA GLU A 57 8.671 -3.523 7.548 1.00 10.00 H new ATOM 0 HB2 GLU A 57 9.757 -0.898 7.258 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.527 -1.195 8.970 1.00 10.00 H new ATOM 0 HG2 GLU A 57 10.961 -3.120 7.088 1.00 10.00 H new ATOM 0 HG3 GLU A 57 11.781 -1.912 8.058 1.00 10.00 H new ATOM 915 N LEU A 58 7.415 -3.453 9.709 1.00 10.00 N ATOM 916 CA LEU A 58 6.443 -3.747 10.759 1.00 10.00 C ATOM 917 C LEU A 58 7.198 -3.908 12.080 1.00 10.00 C ATOM 918 O LEU A 58 7.804 -4.950 12.333 1.00 10.00 O ATOM 919 CB LEU A 58 5.699 -5.033 10.338 1.00 10.00 C ATOM 920 CG LEU A 58 4.589 -5.517 11.291 1.00 10.00 C ATOM 921 CD1 LEU A 58 3.311 -4.698 11.110 1.00 10.00 C ATOM 922 CD2 LEU A 58 4.237 -6.985 11.023 1.00 10.00 C ATOM 0 H LEU A 58 8.180 -4.128 9.687 1.00 10.00 H new ATOM 0 HA LEU A 58 5.711 -2.951 10.897 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.259 -4.868 9.354 1.00 10.00 H new ATOM 0 HB3 LEU A 58 6.431 -5.833 10.230 1.00 10.00 H new ATOM 0 HG LEU A 58 4.973 -5.397 12.304 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.545 -5.062 11.795 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.518 -3.649 11.321 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.957 -4.798 10.084 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.451 -7.302 11.709 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.888 -7.094 9.996 1.00 10.00 H new ATOM 0 HD23 LEU A 58 5.121 -7.604 11.173 1.00 10.00 H new ATOM 934 N TYR A 59 7.133 -2.898 12.949 1.00 10.00 N ATOM 935 CA TYR A 59 7.941 -2.878 14.161 1.00 10.00 C ATOM 936 C TYR A 59 7.121 -3.434 15.320 1.00 10.00 C ATOM 937 O TYR A 59 6.217 -2.770 15.825 1.00 10.00 O ATOM 938 CB TYR A 59 8.471 -1.464 14.432 1.00 10.00 C ATOM 939 CG TYR A 59 9.212 -0.839 13.261 1.00 10.00 C ATOM 940 CD1 TYR A 59 10.384 -1.433 12.751 1.00 10.00 C ATOM 941 CD2 TYR A 59 8.726 0.343 12.674 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.080 -0.830 11.686 1.00 10.00 C ATOM 943 CE2 TYR A 59 9.424 0.957 11.625 1.00 10.00 C ATOM 944 CZ TYR A 59 10.613 0.379 11.130 1.00 10.00 C ATOM 945 OH TYR A 59 11.308 0.980 10.126 1.00 10.00 O ATOM 0 H TYR A 59 6.528 -2.085 12.833 1.00 10.00 H new ATOM 0 HA TYR A 59 8.817 -3.515 14.038 1.00 10.00 H new ATOM 0 HB2 TYR A 59 7.634 -0.820 14.702 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.138 -1.498 15.293 1.00 10.00 H new ATOM 0 HD1 TYR A 59 10.750 -2.355 13.179 1.00 10.00 H new ATOM 0 HD2 TYR A 59 7.807 0.781 13.035 1.00 10.00 H new ATOM 0 HE1 TYR A 59 11.973 -1.294 11.294 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.051 1.875 11.194 1.00 10.00 H new ATOM 0 HH TYR A 59 10.687 1.462 9.541 1.00 10.00 H new ATOM 955 N LEU A 60 7.448 -4.664 15.726 1.00 10.00 N ATOM 956 CA LEU A 60 6.921 -5.322 16.921 1.00 10.00 C ATOM 957 C LEU A 60 7.680 -4.880 18.175 1.00 10.00 C ATOM 958 O LEU A 60 8.858 -4.526 18.116 1.00 10.00 O ATOM 959 CB LEU A 60 7.040 -6.860 16.792 1.00 10.00 C ATOM 960 CG LEU A 60 5.972 -7.599 15.963 1.00 10.00 C ATOM 961 CD1 LEU A 60 4.651 -7.631 16.738 1.00 10.00 C ATOM 962 CD2 LEU A 60 5.736 -7.011 14.571 1.00 10.00 C ATOM 0 H LEU A 60 8.109 -5.247 15.213 1.00 10.00 H new ATOM 0 HA LEU A 60 5.873 -5.036 17.012 1.00 10.00 H new ATOM 0 HB2 LEU A 60 8.014 -7.085 16.358 1.00 10.00 H new ATOM 0 HB3 LEU A 60 7.034 -7.281 17.797 1.00 10.00 H new ATOM 0 HG LEU A 60 6.358 -8.606 15.803 1.00 10.00 H new ATOM 0 HD11 LEU A 60 3.897 -8.154 16.150 1.00 10.00 H new ATOM 0 HD12 LEU A 60 4.797 -8.150 17.685 1.00 10.00 H new ATOM 0 HD13 LEU A 60 4.318 -6.611 16.931 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.970 -7.591 14.056 1.00 10.00 H new ATOM 0 HD22 LEU A 60 5.407 -5.976 14.664 1.00 10.00 H new ATOM 0 HD23 LEU A 60 6.663 -7.046 13.999 1.00 10.00 H new ATOM 974 N ASP A 61 6.985 -4.919 19.313 1.00 10.00 N ATOM 975 CA ASP A 61 7.614 -4.787 20.629 1.00 10.00 C ATOM 976 C ASP A 61 8.701 -5.861 20.832 1.00 10.00 C ATOM 977 O ASP A 61 8.556 -6.992 20.365 1.00 10.00 O ATOM 978 CB ASP A 61 6.547 -4.863 21.732 1.00 10.00 C ATOM 979 CG ASP A 61 7.150 -4.682 23.131 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.126 -3.903 23.240 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.650 -5.346 24.065 1.00 10.00 O ATOM 0 H ASP A 61 5.973 -5.043 19.349 1.00 10.00 H new ATOM 0 HA ASP A 61 8.101 -3.814 20.686 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.793 -4.095 21.560 1.00 10.00 H new ATOM 0 HB3 ASP A 61 6.039 -5.826 21.678 1.00 10.00 H new ATOM 986 N GLU A 62 9.767 -5.535 21.575 1.00 10.00 N ATOM 987 CA GLU A 62 10.917 -6.411 21.895 1.00 10.00 C ATOM 988 C GLU A 62 10.554 -7.621 22.798 1.00 10.00 C ATOM 989 O GLU A 62 11.390 -8.165 23.520 1.00 10.00 O ATOM 990 CB GLU A 62 12.055 -5.568 22.509 1.00 10.00 C ATOM 991 CG GLU A 62 12.587 -4.487 21.556 1.00 10.00 C ATOM 992 CD GLU A 62 13.835 -3.807 22.135 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.666 -2.799 22.858 1.00 10.00 O ATOM 994 OE2 GLU A 62 14.948 -4.305 21.852 1.00 10.00 O ATOM 0 H GLU A 62 9.862 -4.609 21.993 1.00 10.00 H new ATOM 0 HA GLU A 62 11.253 -6.852 20.956 1.00 10.00 H new ATOM 0 HB2 GLU A 62 11.695 -5.094 23.422 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.875 -6.228 22.794 1.00 10.00 H new ATOM 0 HG2 GLU A 62 12.827 -4.934 20.591 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.812 -3.741 21.378 1.00 10.00 H new ATOM 1001 N LEU A 63 9.283 -8.025 22.768 1.00 10.00 N ATOM 1002 CA LEU A 63 8.630 -9.037 23.591 1.00 10.00 C ATOM 1003 C LEU A 63 7.476 -9.730 22.828 1.00 10.00 C ATOM 1004 O LEU A 63 6.608 -10.370 23.428 1.00 10.00 O ATOM 1005 CB LEU A 63 8.128 -8.335 24.869 1.00 10.00 C ATOM 1006 CG LEU A 63 8.552 -9.039 26.171 1.00 10.00 C ATOM 1007 CD1 LEU A 63 8.115 -8.202 27.377 1.00 10.00 C ATOM 1008 CD2 LEU A 63 7.961 -10.445 26.318 1.00 10.00 C ATOM 0 H LEU A 63 8.627 -7.612 22.105 1.00 10.00 H new ATOM 0 HA LEU A 63 9.334 -9.828 23.849 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.503 -7.312 24.881 1.00 10.00 H new ATOM 0 HB3 LEU A 63 7.040 -8.276 24.836 1.00 10.00 H new ATOM 0 HG LEU A 63 9.637 -9.138 26.128 1.00 10.00 H new ATOM 0 HD11 LEU A 63 8.417 -8.704 28.297 1.00 10.00 H new ATOM 0 HD12 LEU A 63 8.585 -7.220 27.328 1.00 10.00 H new ATOM 0 HD13 LEU A 63 7.031 -8.086 27.366 1.00 10.00 H new ATOM 0 HD21 LEU A 63 8.299 -10.885 27.256 1.00 10.00 H new ATOM 0 HD22 LEU A 63 6.873 -10.384 26.317 1.00 10.00 H new ATOM 0 HD23 LEU A 63 8.291 -11.067 25.486 1.00 10.00 H new ATOM 1020 N SER A 64 7.391 -9.566 21.503 1.00 10.00 N ATOM 1021 CA SER A 64 6.402 -10.248 20.652 1.00 10.00 C ATOM 1022 C SER A 64 6.895 -10.425 19.211 1.00 10.00 C ATOM 1023 O SER A 64 7.738 -9.673 18.732 1.00 10.00 O ATOM 1024 CB SER A 64 5.074 -9.483 20.695 1.00 10.00 C ATOM 1025 OG SER A 64 4.507 -9.658 21.981 1.00 10.00 O ATOM 0 H SER A 64 8.014 -8.949 20.982 1.00 10.00 H new ATOM 0 HA SER A 64 6.251 -11.252 21.048 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.238 -8.425 20.492 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.396 -9.854 19.926 1.00 10.00 H new ATOM 0 HG SER A 64 5.098 -10.219 22.526 1.00 10.00 H new ATOM 1031 N ASP A 65 6.333 -11.416 18.508 1.00 10.00 N ATOM 1032 CA ASP A 65 6.823 -11.909 17.224 1.00 10.00 C ATOM 1033 C ASP A 65 5.635 -12.332 16.349 1.00 10.00 C ATOM 1034 O ASP A 65 5.120 -13.445 16.455 1.00 10.00 O ATOM 1035 CB ASP A 65 7.772 -13.104 17.447 1.00 10.00 C ATOM 1036 CG ASP A 65 9.058 -12.739 18.192 1.00 10.00 C ATOM 1037 OD1 ASP A 65 10.036 -12.378 17.499 1.00 10.00 O ATOM 1038 OD2 ASP A 65 9.060 -12.873 19.437 1.00 10.00 O ATOM 0 H ASP A 65 5.500 -11.909 18.830 1.00 10.00 H new ATOM 0 HA ASP A 65 7.373 -11.115 16.719 1.00 10.00 H new ATOM 0 HB2 ASP A 65 7.244 -13.876 18.008 1.00 10.00 H new ATOM 0 HB3 ASP A 65 8.033 -13.535 16.480 1.00 10.00 H new ATOM 1043 N ALA A 66 5.186 -11.411 15.496 1.00 10.00 N ATOM 1044 CA ALA A 66 4.227 -11.691 14.424 1.00 10.00 C ATOM 1045 C ALA A 66 4.783 -12.710 13.404 1.00 10.00 C ATOM 1046 O ALA A 66 5.989 -12.955 13.337 1.00 10.00 O ATOM 1047 CB ALA A 66 3.861 -10.366 13.744 1.00 10.00 C ATOM 0 H ALA A 66 5.482 -10.435 15.530 1.00 10.00 H new ATOM 0 HA ALA A 66 3.334 -12.146 14.852 1.00 10.00 H new ATOM 0 HB1 ALA A 66 3.147 -10.554 12.942 1.00 10.00 H new ATOM 0 HB2 ALA A 66 3.416 -9.692 14.476 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.760 -9.909 13.330 1.00 10.00 H new ATOM 1053 N ASP A 67 3.921 -13.247 12.534 1.00 10.00 N ATOM 1054 CA ASP A 67 4.286 -14.388 11.694 1.00 10.00 C ATOM 1055 C ASP A 67 5.002 -13.946 10.397 1.00 10.00 C ATOM 1056 O ASP A 67 4.646 -12.911 9.815 1.00 10.00 O ATOM 1057 CB ASP A 67 3.011 -15.157 11.311 1.00 10.00 C ATOM 1058 CG ASP A 67 2.180 -15.568 12.527 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.512 -14.666 13.081 1.00 10.00 O ATOM 1060 OD2 ASP A 67 2.228 -16.768 12.875 1.00 10.00 O ATOM 0 H ASP A 67 2.969 -12.909 12.395 1.00 10.00 H new ATOM 0 HA ASP A 67 4.970 -15.016 12.265 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.402 -14.537 10.653 1.00 10.00 H new ATOM 0 HB3 ASP A 67 3.285 -16.048 10.746 1.00 10.00 H new ATOM 1065 N PRO A 68 5.994 -14.737 9.919 1.00 10.00 N ATOM 1066 CA PRO A 68 6.875 -14.420 8.787 1.00 10.00 C ATOM 1067 C PRO A 68 6.147 -14.508 7.432 1.00 10.00 C ATOM 1068 O PRO A 68 6.404 -15.379 6.603 1.00 10.00 O ATOM 1069 CB PRO A 68 8.067 -15.378 8.916 1.00 10.00 C ATOM 1070 CG PRO A 68 7.439 -16.613 9.553 1.00 10.00 C ATOM 1071 CD PRO A 68 6.419 -16.003 10.512 1.00 10.00 C ATOM 0 HA PRO A 68 7.216 -13.385 8.816 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.511 -15.604 7.947 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.857 -14.959 9.539 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.966 -17.257 8.812 1.00 10.00 H new ATOM 0 HG3 PRO A 68 8.177 -17.220 10.077 1.00 10.00 H new ATOM 0 HD2 PRO A 68 5.569 -16.671 10.650 1.00 10.00 H new ATOM 0 HD3 PRO A 68 6.860 -15.841 11.496 1.00 10.00 H new ATOM 1079 N GLY A 69 5.193 -13.597 7.253 1.00 10.00 N ATOM 1080 CA GLY A 69 4.351 -13.447 6.073 1.00 10.00 C ATOM 1081 C GLY A 69 3.302 -12.337 6.208 1.00 10.00 C ATOM 1082 O GLY A 69 2.836 -11.840 5.189 1.00 10.00 O ATOM 0 H GLY A 69 4.976 -12.905 7.970 1.00 10.00 H new ATOM 0 HA2 GLY A 69 4.983 -13.236 5.210 1.00 10.00 H new ATOM 0 HA3 GLY A 69 3.845 -14.392 5.875 1.00 10.00 H new ATOM 1086 N ILE A 70 2.949 -11.898 7.431 1.00 10.00 N ATOM 1087 CA ILE A 70 1.931 -10.868 7.666 1.00 10.00 C ATOM 1088 C ILE A 70 2.262 -9.545 6.951 1.00 10.00 C ATOM 1089 O ILE A 70 1.357 -8.882 6.445 1.00 10.00 O ATOM 1090 CB ILE A 70 1.751 -10.717 9.199 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.914 -11.910 9.717 1.00 10.00 C ATOM 1092 CG2 ILE A 70 1.131 -9.369 9.587 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.659 -11.928 11.230 1.00 10.00 C ATOM 0 H ILE A 70 3.369 -12.255 8.289 1.00 10.00 H new ATOM 0 HA ILE A 70 0.980 -11.173 7.229 1.00 10.00 H new ATOM 0 HB ILE A 70 2.732 -10.729 9.673 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -0.048 -11.907 9.204 1.00 10.00 H new ATOM 0 HG13 ILE A 70 1.420 -12.835 9.440 1.00 10.00 H new ATOM 0 HG21 ILE A 70 1.027 -9.315 10.671 1.00 10.00 H new ATOM 0 HG22 ILE A 70 1.775 -8.560 9.244 1.00 10.00 H new ATOM 0 HG23 ILE A 70 0.149 -9.273 9.123 1.00 10.00 H new ATOM 0 HD11 ILE A 70 0.064 -12.804 11.488 1.00 10.00 H new ATOM 0 HD12 ILE A 70 1.611 -11.967 11.759 1.00 10.00 H new ATOM 0 HD13 ILE A 70 0.120 -11.026 11.519 1.00 10.00 H new ATOM 1105 N VAL A 71 3.550 -9.184 6.876 1.00 10.00 N ATOM 1106 CA VAL A 71 4.040 -8.022 6.120 1.00 10.00 C ATOM 1107 C VAL A 71 3.793 -8.228 4.628 1.00 10.00 C ATOM 1108 O VAL A 71 3.105 -7.431 3.996 1.00 10.00 O ATOM 1109 CB VAL A 71 5.553 -7.833 6.339 1.00 10.00 C ATOM 1110 CG1 VAL A 71 6.089 -6.604 5.591 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.917 -7.699 7.819 1.00 10.00 C ATOM 0 H VAL A 71 4.294 -9.699 7.347 1.00 10.00 H new ATOM 0 HA VAL A 71 3.505 -7.140 6.473 1.00 10.00 H new ATOM 0 HB VAL A 71 6.019 -8.735 5.941 1.00 10.00 H new ATOM 0 HG11 VAL A 71 7.159 -6.506 5.772 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.911 -6.722 4.522 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.578 -5.710 5.947 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.995 -7.568 7.918 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.406 -6.835 8.243 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.610 -8.599 8.352 1.00 10.00 H new ATOM 1121 N ASP A 72 4.344 -9.315 4.083 1.00 10.00 N ATOM 1122 CA ASP A 72 4.276 -9.708 2.680 1.00 10.00 C ATOM 1123 C ASP A 72 2.827 -9.753 2.196 1.00 10.00 C ATOM 1124 O ASP A 72 2.512 -9.147 1.175 1.00 10.00 O ATOM 1125 CB ASP A 72 4.961 -11.077 2.503 1.00 10.00 C ATOM 1126 CG ASP A 72 6.328 -11.153 3.196 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.327 -11.154 4.452 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.343 -11.188 2.469 1.00 10.00 O ATOM 0 H ASP A 72 4.879 -9.979 4.643 1.00 10.00 H new ATOM 0 HA ASP A 72 4.798 -8.967 2.074 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.313 -11.857 2.903 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.086 -11.280 1.440 1.00 10.00 H new ATOM 1133 N GLU A 73 1.930 -10.352 2.991 1.00 10.00 N ATOM 1134 CA GLU A 73 0.496 -10.388 2.721 1.00 10.00 C ATOM 1135 C GLU A 73 -0.118 -8.985 2.741 1.00 10.00 C ATOM 1136 O GLU A 73 -1.029 -8.729 1.955 1.00 10.00 O ATOM 1137 CB GLU A 73 -0.232 -11.225 3.784 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.007 -12.740 3.709 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.816 -13.417 4.820 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -0.544 -13.151 6.018 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -1.825 -14.095 4.499 1.00 10.00 O ATOM 0 H GLU A 73 2.190 -10.832 3.853 1.00 10.00 H new ATOM 0 HA GLU A 73 0.376 -10.828 1.731 1.00 10.00 H new ATOM 0 HB2 GLU A 73 0.081 -10.879 4.769 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -1.301 -11.031 3.702 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -0.314 -13.119 2.734 1.00 10.00 H new ATOM 0 HG3 GLU A 73 1.053 -12.970 3.821 1.00 10.00 H new ATOM 1148 N ALA A 74 0.362 -8.065 3.592 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.183 -6.708 3.621 1.00 10.00 C ATOM 1150 C ALA A 74 0.191 -5.922 2.364 1.00 10.00 C ATOM 1151 O ALA A 74 -0.661 -5.255 1.772 1.00 10.00 O ATOM 1152 CB ALA A 74 0.272 -5.981 4.892 1.00 10.00 C ATOM 0 H ALA A 74 1.115 -8.236 4.258 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.271 -6.780 3.636 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.140 -4.972 4.901 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.080 -6.525 5.768 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.361 -5.928 4.911 1.00 10.00 H new ATOM 1158 N VAL A 75 1.448 -6.033 1.921 1.00 10.00 N ATOM 1159 CA VAL A 75 1.882 -5.357 0.698 1.00 10.00 C ATOM 1160 C VAL A 75 1.284 -6.031 -0.545 1.00 10.00 C ATOM 1161 O VAL A 75 0.793 -5.339 -1.430 1.00 10.00 O ATOM 1162 CB VAL A 75 3.414 -5.229 0.608 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.740 -4.057 -0.316 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.077 -4.894 1.952 1.00 10.00 C ATOM 0 H VAL A 75 2.174 -6.578 2.386 1.00 10.00 H new ATOM 0 HA VAL A 75 1.497 -4.338 0.738 1.00 10.00 H new ATOM 0 HB VAL A 75 3.787 -6.191 0.257 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.821 -3.946 -0.396 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.321 -4.245 -1.304 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.311 -3.142 0.092 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.156 -4.818 1.817 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.690 -3.944 2.322 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.856 -5.681 2.673 1.00 10.00 H new ATOM 1174 N ASP A 76 1.219 -7.365 -0.585 1.00 10.00 N ATOM 1175 CA ASP A 76 0.528 -8.157 -1.609 1.00 10.00 C ATOM 1176 C ASP A 76 -0.976 -7.822 -1.693 1.00 10.00 C ATOM 1177 O ASP A 76 -1.526 -7.716 -2.794 1.00 10.00 O ATOM 1178 CB ASP A 76 0.785 -9.635 -1.274 1.00 10.00 C ATOM 1179 CG ASP A 76 0.192 -10.625 -2.265 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.379 -10.451 -3.485 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -0.493 -11.575 -1.812 1.00 10.00 O ATOM 0 H ASP A 76 1.664 -7.947 0.124 1.00 10.00 H new ATOM 0 HA ASP A 76 0.915 -7.921 -2.600 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.861 -9.799 -1.218 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.379 -9.845 -0.285 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.638 -7.555 -0.557 1.00 10.00 N ATOM 1187 CA ALA A 77 -3.001 -7.026 -0.547 1.00 10.00 C ATOM 1188 C ALA A 77 -3.081 -5.635 -1.195 1.00 10.00 C ATOM 1189 O ALA A 77 -3.980 -5.408 -2.006 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.541 -7.012 0.886 1.00 10.00 C ATOM 0 H ALA A 77 -1.243 -7.700 0.372 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.628 -7.683 -1.150 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.557 -6.617 0.888 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.546 -8.027 1.283 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.905 -6.382 1.508 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.132 -4.730 -0.912 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.045 -3.448 -1.613 1.00 10.00 C ATOM 1198 C ALA A 78 -1.766 -3.615 -3.113 1.00 10.00 C ATOM 1199 O ALA A 78 -2.423 -2.956 -3.914 1.00 10.00 O ATOM 1200 CB ALA A 78 -1.012 -2.541 -0.940 1.00 10.00 C ATOM 0 H ALA A 78 -1.414 -4.866 -0.200 1.00 10.00 H new ATOM 0 HA ALA A 78 -3.021 -2.968 -1.541 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.959 -1.592 -1.473 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.305 -2.361 0.094 1.00 10.00 H new ATOM 0 HB3 ALA A 78 -0.035 -3.024 -0.961 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.863 -4.520 -3.515 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.572 -4.772 -4.929 1.00 10.00 C ATOM 1208 C TYR A 79 -1.805 -5.300 -5.682 1.00 10.00 C ATOM 1209 O TYR A 79 -2.119 -4.781 -6.757 1.00 10.00 O ATOM 1210 CB TYR A 79 0.610 -5.751 -5.060 1.00 10.00 C ATOM 1211 CG TYR A 79 1.986 -5.154 -4.803 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.483 -4.171 -5.683 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.789 -5.606 -3.732 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.762 -3.617 -5.485 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.073 -5.055 -3.536 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.556 -4.047 -4.401 1.00 10.00 C ATOM 1217 OH TYR A 79 5.770 -3.465 -4.194 1.00 10.00 O ATOM 0 H TYR A 79 -0.318 -5.094 -2.872 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.298 -3.822 -5.388 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.455 -6.576 -4.364 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.599 -6.175 -6.064 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.878 -3.841 -6.515 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.421 -6.371 -3.065 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.135 -2.863 -6.163 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.690 -5.405 -2.721 1.00 10.00 H new ATOM 0 HH TYR A 79 5.889 -3.289 -3.237 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.577 -6.238 -5.102 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.839 -6.675 -5.725 1.00 10.00 C ATOM 1229 C ARG A 80 -4.928 -5.610 -5.655 1.00 10.00 C ATOM 1230 O ARG A 80 -5.644 -5.432 -6.638 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.367 -7.988 -5.136 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.486 -9.179 -5.525 1.00 10.00 C ATOM 1233 CD ARG A 80 -4.244 -10.500 -5.320 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.305 -11.619 -5.149 1.00 10.00 N ATOM 1235 CZ ARG A 80 -2.606 -11.835 -4.042 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -2.851 -11.208 -2.920 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -1.590 -12.654 -4.021 1.00 10.00 N ATOM 0 H ARG A 80 -2.355 -6.700 -4.220 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.591 -6.845 -6.773 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.411 -7.908 -4.050 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.385 -8.160 -5.485 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.179 -9.087 -6.567 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.577 -9.178 -4.924 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -4.888 -10.423 -4.444 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.891 -10.690 -6.176 1.00 10.00 H new ATOM 0 HE ARG A 80 -3.184 -12.267 -5.927 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -3.605 -10.522 -2.873 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -2.288 -11.405 -2.092 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -1.315 -13.147 -4.870 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -1.071 -12.801 -3.155 1.00 10.00 H new ATOM 1251 N SER A 81 -5.046 -4.878 -4.542 1.00 10.00 N ATOM 1252 CA SER A 81 -6.006 -3.779 -4.429 1.00 10.00 C ATOM 1253 C SER A 81 -5.692 -2.610 -5.366 1.00 10.00 C ATOM 1254 O SER A 81 -6.615 -1.866 -5.691 1.00 10.00 O ATOM 1255 CB SER A 81 -6.096 -3.255 -2.996 1.00 10.00 C ATOM 1256 OG SER A 81 -7.158 -2.324 -2.935 1.00 10.00 O ATOM 0 H SER A 81 -4.485 -5.029 -3.704 1.00 10.00 H new ATOM 0 HA SER A 81 -6.965 -4.204 -4.726 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.269 -4.076 -2.301 1.00 10.00 H new ATOM 0 HB3 SER A 81 -5.158 -2.782 -2.704 1.00 10.00 H new ATOM 0 HG SER A 81 -7.376 -2.017 -3.840 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.433 -2.435 -5.782 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.035 -1.469 -6.800 1.00 10.00 C ATOM 1264 C LEU A 82 -4.359 -1.976 -8.205 1.00 10.00 C ATOM 1265 O LEU A 82 -4.965 -1.244 -8.986 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.525 -1.221 -6.670 1.00 10.00 C ATOM 1267 CG LEU A 82 -1.972 -0.156 -7.634 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.653 1.213 -7.496 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.474 0.000 -7.385 1.00 10.00 C ATOM 0 H LEU A 82 -3.650 -2.974 -5.410 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.589 -0.543 -6.648 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.306 -0.917 -5.647 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -1.998 -2.159 -6.843 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.177 -0.504 -8.646 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.212 1.912 -8.206 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -3.719 1.112 -7.701 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.513 1.589 -6.482 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.069 0.752 -8.062 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.307 0.312 -6.354 1.00 10.00 H new ATOM 0 HD23 LEU A 82 0.025 -0.953 -7.561 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.015 -3.230 -8.520 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.296 -3.791 -9.843 1.00 10.00 C ATOM 1283 C GLU A 83 -5.810 -3.931 -10.074 1.00 10.00 C ATOM 1284 O GLU A 83 -6.315 -3.536 -11.121 1.00 10.00 O ATOM 1285 CB GLU A 83 -3.565 -5.137 -9.995 1.00 10.00 C ATOM 1286 CG GLU A 83 -3.390 -5.562 -11.461 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.305 -4.737 -12.169 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.604 -3.582 -12.546 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -1.179 -5.266 -12.305 1.00 10.00 O ATOM 0 H GLU A 83 -3.545 -3.871 -7.880 1.00 10.00 H new ATOM 0 HA GLU A 83 -3.925 -3.110 -10.609 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -2.585 -5.067 -9.523 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.121 -5.909 -9.463 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -3.129 -6.619 -11.504 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -4.337 -5.446 -11.988 1.00 10.00 H new ATOM 1296 N SER A 84 -6.564 -4.372 -9.058 1.00 10.00 N ATOM 1297 CA SER A 84 -8.028 -4.422 -9.104 1.00 10.00 C ATOM 1298 C SER A 84 -8.692 -3.039 -9.088 1.00 10.00 C ATOM 1299 O SER A 84 -9.884 -2.962 -9.383 1.00 10.00 O ATOM 1300 CB SER A 84 -8.574 -5.252 -7.940 1.00 10.00 C ATOM 1301 OG SER A 84 -9.976 -5.381 -8.081 1.00 10.00 O ATOM 0 H SER A 84 -6.172 -4.705 -8.178 1.00 10.00 H new ATOM 0 HA SER A 84 -8.277 -4.889 -10.057 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.105 -6.236 -7.927 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.334 -4.772 -6.991 1.00 10.00 H new ATOM 0 HG SER A 84 -10.313 -4.670 -8.665 1.00 10.00 H new ATOM 1307 N PHE A 85 -7.989 -1.976 -8.677 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.437 -0.594 -8.852 1.00 10.00 C ATOM 1309 C PHE A 85 -8.134 -0.084 -10.271 1.00 10.00 C ATOM 1310 O PHE A 85 -9.007 0.505 -10.909 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.774 0.250 -7.752 1.00 10.00 C ATOM 1312 CG PHE A 85 -7.791 1.757 -7.913 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -6.829 2.374 -8.732 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -8.677 2.547 -7.159 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -6.713 3.774 -8.760 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -8.573 3.950 -7.197 1.00 10.00 C ATOM 1317 CZ PHE A 85 -7.581 4.563 -7.984 1.00 10.00 C ATOM 0 H PHE A 85 -7.086 -2.055 -8.210 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.520 -0.520 -8.751 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.259 0.008 -6.806 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.734 -0.066 -7.667 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -6.176 1.769 -9.343 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -9.436 2.078 -6.551 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -5.960 4.243 -9.376 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -9.256 4.557 -6.621 1.00 10.00 H new ATOM 0 HZ PHE A 85 -7.486 5.639 -7.992 1.00 10.00 H new ATOM 1327 N LEU A 86 -6.941 -0.385 -10.811 1.00 10.00 N ATOM 1328 CA LEU A 86 -6.562 -0.039 -12.187 1.00 10.00 C ATOM 1329 C LEU A 86 -7.341 -0.836 -13.228 1.00 10.00 C ATOM 1330 O LEU A 86 -7.522 -0.336 -14.334 1.00 10.00 O ATOM 1331 CB LEU A 86 -5.044 -0.159 -12.391 1.00 10.00 C ATOM 1332 CG LEU A 86 -4.347 1.153 -11.968 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -2.921 0.928 -11.475 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.308 2.161 -13.123 1.00 10.00 C ATOM 0 H LEU A 86 -6.209 -0.879 -10.300 1.00 10.00 H new ATOM 0 HA LEU A 86 -6.836 1.005 -12.339 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -4.655 -0.992 -11.805 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -4.826 -0.375 -13.437 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.942 1.550 -11.145 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -2.479 1.883 -11.191 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -2.935 0.264 -10.611 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -2.328 0.476 -12.270 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.811 3.073 -12.793 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -3.760 1.732 -13.962 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -5.325 2.395 -13.436 1.00 10.00 H new