USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 500 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 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 172:sc= -3! USER MOD Single : A 15 ASN : amide:sc= -0.0584 X(o=-0.058,f=-0.5) USER MOD Single : A 16 LYS NZ :NH3+ 139:sc= -2.22! (180deg=-4.74!) USER MOD Single : A 18 LYS NZ :NH3+ 170:sc=-0.00561 (180deg=-0.136) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0134 USER MOD Single : A 30 SER OG : rot 83:sc= 0.528 USER MOD Single : A 36 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.21) USER MOD Single : A 37 THR OG1 : rot 70:sc= 1.16 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.268 F(o=-2.2,f=-0.27) USER MOD Single : A 69 GLN : amide:sc= -0.805 K(o=-0.81,f=-3.4!) USER MOD Single : A 74 SER OG : rot 63:sc= 0.753 USER MOD Single : B 3 GLN :FLIP amide:sc= -2.14! C(o=-3.1!,f=-2.1!) USER MOD Single : B 4 MET CE :methyl -159:sc= -0.146 (180deg=-0.692) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.990 8.084 -4.247 1.00 0.00 N ATOM 132 CA ALA A 10 -6.209 7.196 -3.396 1.00 0.00 C ATOM 133 C ALA A 10 -6.945 6.901 -2.091 1.00 0.00 C ATOM 134 O ALA A 10 -6.961 5.761 -1.618 1.00 0.00 O ATOM 135 CB ALA A 10 -4.847 7.814 -3.109 1.00 0.00 C ATOM 0 HA ALA A 10 -6.067 6.252 -3.923 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.270 7.143 -2.472 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.314 7.972 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.981 8.770 -2.602 1.00 0.00 H new ATOM 141 N ILE A 11 -7.550 7.938 -1.513 1.00 0.00 N ATOM 142 CA ILE A 11 -8.284 7.790 -0.262 1.00 0.00 C ATOM 143 C ILE A 11 -9.328 6.691 -0.375 1.00 0.00 C ATOM 144 O ILE A 11 -9.496 5.886 0.536 1.00 0.00 O ATOM 145 CB ILE A 11 -8.992 9.095 0.145 1.00 0.00 C ATOM 146 CG1 ILE A 11 -8.005 10.265 0.163 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.647 8.928 1.505 1.00 0.00 C ATOM 148 CD1 ILE A 11 -6.853 10.083 1.127 1.00 0.00 C ATOM 0 H ILE A 11 -7.545 8.885 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.549 7.532 0.501 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.764 9.317 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.606 10.406 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.543 11.177 0.423 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.146 9.856 1.785 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.379 8.122 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.887 8.686 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.199 10.954 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.240 9.973 2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.289 9.191 0.856 1.00 0.00 H new ATOM 160 N SER A 12 -10.031 6.671 -1.499 1.00 0.00 N ATOM 161 CA SER A 12 -11.066 5.676 -1.742 1.00 0.00 C ATOM 162 C SER A 12 -10.519 4.261 -1.575 1.00 0.00 C ATOM 163 O SER A 12 -11.202 3.383 -1.051 1.00 0.00 O ATOM 164 CB SER A 12 -11.648 5.845 -3.145 1.00 0.00 C ATOM 165 OG SER A 12 -12.184 7.145 -3.322 1.00 0.00 O ATOM 0 H SER A 12 -9.902 7.337 -2.261 1.00 0.00 H new ATOM 0 HA SER A 12 -11.855 5.829 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.872 5.664 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.427 5.101 -3.311 1.00 0.00 H new ATOM 0 HG SER A 12 -12.548 7.228 -4.228 1.00 0.00 H new ATOM 171 N TYR A 13 -9.283 4.043 -2.023 1.00 0.00 N ATOM 172 CA TYR A 13 -8.658 2.729 -1.916 1.00 0.00 C ATOM 173 C TYR A 13 -8.403 2.362 -0.459 1.00 0.00 C ATOM 174 O TYR A 13 -8.874 1.334 0.026 1.00 0.00 O ATOM 175 CB TYR A 13 -7.335 2.704 -2.683 1.00 0.00 C ATOM 176 CG TYR A 13 -6.643 1.357 -2.647 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.290 0.211 -3.092 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.346 1.234 -2.166 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.664 -1.020 -3.056 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.714 0.006 -2.126 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.378 -1.118 -2.573 1.00 0.00 C ATOM 182 OH TYR A 13 -4.754 -2.342 -2.528 1.00 0.00 O ATOM 0 H TYR A 13 -8.699 4.756 -2.461 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.343 1.999 -2.348 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.520 2.981 -3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.668 3.458 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.298 0.284 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.823 2.112 -1.818 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.181 -1.902 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.706 -0.074 -1.747 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.813 -2.221 -2.284 1.00 0.00 H new ATOM 192 N VAL A 14 -7.650 3.212 0.228 1.00 0.00 N ATOM 193 CA VAL A 14 -7.318 2.986 1.634 1.00 0.00 C ATOM 194 C VAL A 14 -8.576 2.848 2.484 1.00 0.00 C ATOM 195 O VAL A 14 -8.666 1.975 3.348 1.00 0.00 O ATOM 196 CB VAL A 14 -6.467 4.140 2.197 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.022 3.838 3.620 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.271 4.410 1.299 1.00 0.00 C ATOM 0 H VAL A 14 -7.256 4.067 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.748 2.058 1.678 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.082 5.039 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.422 4.666 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.898 3.705 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.426 2.925 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.682 5.228 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.653 3.514 1.236 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.618 4.682 0.302 1.00 0.00 H new ATOM 208 N ASN A 15 -9.536 3.726 2.234 1.00 0.00 N ATOM 209 CA ASN A 15 -10.795 3.736 2.966 1.00 0.00 C ATOM 210 C ASN A 15 -11.561 2.444 2.748 1.00 0.00 C ATOM 211 O ASN A 15 -11.971 1.786 3.701 1.00 0.00 O ATOM 212 CB ASN A 15 -11.643 4.908 2.497 1.00 0.00 C ATOM 213 CG ASN A 15 -12.687 5.322 3.513 1.00 0.00 C ATOM 214 OD1 ASN A 15 -13.584 4.552 3.855 1.00 0.00 O ATOM 215 ND2 ASN A 15 -12.566 6.549 4.003 1.00 0.00 N ATOM 0 H ASN A 15 -9.465 4.451 1.520 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.575 3.833 4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.994 5.757 2.283 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.138 4.642 1.563 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.234 6.890 4.694 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.805 7.151 3.688 1.00 0.00 H new ATOM 222 N LYS A 16 -11.750 2.094 1.483 1.00 0.00 N ATOM 223 CA LYS A 16 -12.472 0.875 1.129 1.00 0.00 C ATOM 224 C LYS A 16 -11.860 -0.319 1.846 1.00 0.00 C ATOM 225 O LYS A 16 -12.570 -1.194 2.335 1.00 0.00 O ATOM 226 CB LYS A 16 -12.439 0.640 -0.383 1.00 0.00 C ATOM 227 CG LYS A 16 -13.210 -0.595 -0.821 1.00 0.00 C ATOM 228 CD LYS A 16 -13.079 -0.848 -2.306 1.00 0.00 C ATOM 229 CE LYS A 16 -13.918 0.129 -3.106 1.00 0.00 C ATOM 230 NZ LYS A 16 -13.355 1.508 -3.084 1.00 0.00 N ATOM 0 H LYS A 16 -11.415 2.634 0.685 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.510 0.992 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.851 1.514 -0.888 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.402 0.545 -0.706 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.846 -1.463 -0.272 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.263 -0.475 -0.565 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.033 -0.760 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.390 -1.868 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.988 -0.216 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.932 0.146 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -13.435 1.931 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.883 2.088 -2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.354 1.470 -2.805 1.00 0.00 H new ATOM 244 N ILE A 17 -10.536 -0.332 1.918 1.00 0.00 N ATOM 245 CA ILE A 17 -9.816 -1.399 2.595 1.00 0.00 C ATOM 246 C ILE A 17 -10.185 -1.427 4.073 1.00 0.00 C ATOM 247 O ILE A 17 -10.317 -2.492 4.677 1.00 0.00 O ATOM 248 CB ILE A 17 -8.293 -1.211 2.448 1.00 0.00 C ATOM 249 CG1 ILE A 17 -7.882 -1.354 0.980 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.540 -2.207 3.318 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.426 -1.034 0.721 1.00 0.00 C ATOM 0 H ILE A 17 -9.938 0.388 1.514 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.099 -2.345 2.133 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.034 -0.207 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.084 -2.374 0.653 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.503 -0.696 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.467 -2.056 3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.813 -2.057 4.362 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.799 -3.222 3.017 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.210 -1.158 -0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.222 -0.005 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.796 -1.709 1.301 1.00 0.00 H new ATOM 263 N LYS A 18 -10.349 -0.238 4.643 1.00 0.00 N ATOM 264 CA LYS A 18 -10.702 -0.096 6.049 1.00 0.00 C ATOM 265 C LYS A 18 -12.128 -0.575 6.308 1.00 0.00 C ATOM 266 O LYS A 18 -12.379 -1.348 7.233 1.00 0.00 O ATOM 267 CB LYS A 18 -10.565 1.369 6.473 1.00 0.00 C ATOM 268 CG LYS A 18 -10.610 1.574 7.980 1.00 0.00 C ATOM 269 CD LYS A 18 -10.290 3.012 8.362 1.00 0.00 C ATOM 270 CE LYS A 18 -11.262 3.994 7.727 1.00 0.00 C ATOM 271 NZ LYS A 18 -12.666 3.742 8.153 1.00 0.00 N ATOM 0 H LYS A 18 -10.242 0.647 4.147 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.021 -0.713 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.624 1.763 6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.365 1.948 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.599 1.310 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.898 0.903 8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.324 3.116 9.446 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.274 3.253 8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.978 5.011 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.194 3.921 6.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -13.271 4.527 7.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.003 2.854 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.706 3.668 9.190 1.00 0.00 H new ATOM 285 N THR A 19 -13.057 -0.097 5.487 1.00 0.00 N ATOM 286 CA THR A 19 -14.466 -0.451 5.617 1.00 0.00 C ATOM 287 C THR A 19 -14.718 -1.908 5.238 1.00 0.00 C ATOM 288 O THR A 19 -15.658 -2.532 5.728 1.00 0.00 O ATOM 289 CB THR A 19 -15.348 0.463 4.741 1.00 0.00 C ATOM 290 OG1 THR A 19 -16.730 0.265 5.060 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.125 0.180 3.262 1.00 0.00 C ATOM 0 H THR A 19 -12.857 0.542 4.718 1.00 0.00 H new ATOM 0 HA THR A 19 -14.731 -0.313 6.665 1.00 0.00 H new ATOM 0 HB THR A 19 -15.070 1.497 4.945 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.282 0.850 4.500 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.758 0.837 2.666 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.079 0.358 3.011 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.377 -0.859 3.048 1.00 0.00 H new ATOM 299 N ARG A 20 -13.882 -2.444 4.359 1.00 0.00 N ATOM 300 CA ARG A 20 -14.031 -3.825 3.921 1.00 0.00 C ATOM 301 C ARG A 20 -13.737 -4.793 5.061 1.00 0.00 C ATOM 302 O ARG A 20 -14.580 -5.611 5.429 1.00 0.00 O ATOM 303 CB ARG A 20 -13.103 -4.117 2.738 1.00 0.00 C ATOM 304 CG ARG A 20 -13.057 -5.586 2.348 1.00 0.00 C ATOM 305 CD ARG A 20 -14.448 -6.127 2.060 1.00 0.00 C ATOM 306 NE ARG A 20 -14.438 -7.560 1.769 1.00 0.00 N ATOM 307 CZ ARG A 20 -13.811 -8.104 0.728 1.00 0.00 C ATOM 308 NH1 ARG A 20 -13.145 -7.340 -0.127 1.00 0.00 N ATOM 309 NH2 ARG A 20 -13.855 -9.416 0.541 1.00 0.00 N ATOM 0 H ARG A 20 -13.098 -1.947 3.937 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.064 -3.965 3.604 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.429 -3.532 1.878 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.095 -3.784 2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.427 -5.711 1.467 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.600 -6.163 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.094 -5.937 2.917 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.876 -5.590 1.214 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.942 -8.181 2.402 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -13.111 -6.330 0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.667 -7.762 -0.923 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.369 -10.007 1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.375 -9.834 -0.256 1.00 0.00 H new ATOM 323 N PHE A 21 -12.531 -4.700 5.605 1.00 0.00 N ATOM 324 CA PHE A 21 -12.117 -5.574 6.692 1.00 0.00 C ATOM 325 C PHE A 21 -12.431 -4.970 8.060 1.00 0.00 C ATOM 326 O PHE A 21 -11.644 -5.109 8.997 1.00 0.00 O ATOM 327 CB PHE A 21 -10.623 -5.873 6.591 1.00 0.00 C ATOM 328 CG PHE A 21 -10.214 -6.501 5.290 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.055 -5.730 4.149 1.00 0.00 C ATOM 330 CD2 PHE A 21 -9.967 -7.861 5.213 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.663 -6.306 2.956 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.572 -8.442 4.025 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.421 -7.664 2.894 1.00 0.00 C ATOM 0 H PHE A 21 -11.823 -4.028 5.311 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.683 -6.501 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.067 -4.945 6.726 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.339 -6.536 7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.240 -4.667 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.085 -8.475 6.094 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.546 -5.695 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.381 -9.504 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.114 -8.117 1.963 1.00 0.00 H new ATOM 343 N LEU A 22 -13.584 -4.314 8.181 1.00 0.00 N ATOM 344 CA LEU A 22 -13.982 -3.717 9.454 1.00 0.00 C ATOM 345 C LEU A 22 -13.950 -4.763 10.563 1.00 0.00 C ATOM 346 O LEU A 22 -13.614 -4.463 11.710 1.00 0.00 O ATOM 347 CB LEU A 22 -15.385 -3.112 9.353 1.00 0.00 C ATOM 348 CG LEU A 22 -15.487 -1.820 8.542 1.00 0.00 C ATOM 349 CD1 LEU A 22 -16.941 -1.397 8.399 1.00 0.00 C ATOM 350 CD2 LEU A 22 -14.673 -0.714 9.195 1.00 0.00 C ATOM 0 H LEU A 22 -14.252 -4.183 7.422 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.275 -2.923 9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.050 -3.853 8.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.752 -2.918 10.361 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.081 -2.004 7.548 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -16.997 -0.476 7.819 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.500 -2.181 7.888 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.370 -1.230 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.758 0.198 8.604 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.050 -0.530 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.627 -1.016 9.249 1.00 0.00 H new ATOM 362 N ASP A 23 -14.298 -5.996 10.206 1.00 0.00 N ATOM 363 CA ASP A 23 -14.312 -7.103 11.152 1.00 0.00 C ATOM 364 C ASP A 23 -12.893 -7.570 11.457 1.00 0.00 C ATOM 365 O ASP A 23 -12.586 -7.945 12.588 1.00 0.00 O ATOM 366 CB ASP A 23 -15.141 -8.262 10.596 1.00 0.00 C ATOM 367 CG ASP A 23 -15.223 -9.437 11.552 1.00 0.00 C ATOM 368 OD1 ASP A 23 -14.168 -10.031 11.859 1.00 0.00 O ATOM 369 OD2 ASP A 23 -16.344 -9.762 11.995 1.00 0.00 O ATOM 0 H ASP A 23 -14.576 -6.253 9.259 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.767 -6.756 12.080 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -16.148 -7.909 10.374 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.705 -8.595 9.654 1.00 0.00 H new ATOM 374 N HIS A 24 -12.038 -7.555 10.435 1.00 0.00 N ATOM 375 CA HIS A 24 -10.658 -7.977 10.570 1.00 0.00 C ATOM 376 C HIS A 24 -9.709 -6.771 10.576 1.00 0.00 C ATOM 377 O HIS A 24 -9.081 -6.465 9.562 1.00 0.00 O ATOM 378 CB HIS A 24 -10.309 -8.911 9.420 1.00 0.00 C ATOM 379 CG HIS A 24 -11.157 -10.145 9.369 1.00 0.00 C ATOM 380 ND1 HIS A 24 -11.196 -11.075 10.387 1.00 0.00 N ATOM 381 CD2 HIS A 24 -12.002 -10.600 8.414 1.00 0.00 C ATOM 382 CE1 HIS A 24 -12.028 -12.048 10.060 1.00 0.00 C ATOM 383 NE2 HIS A 24 -12.531 -11.783 8.868 1.00 0.00 N ATOM 0 H HIS A 24 -12.289 -7.249 9.495 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.541 -8.498 11.520 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.413 -8.370 8.480 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.262 -9.203 9.505 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -12.220 -10.121 7.471 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -12.258 -12.913 10.665 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -13.203 -12.363 8.366 1.00 0.00 H new ATOM 392 N PRO A 25 -9.594 -6.064 11.716 1.00 0.00 N ATOM 393 CA PRO A 25 -8.718 -4.889 11.841 1.00 0.00 C ATOM 394 C PRO A 25 -7.255 -5.209 11.553 1.00 0.00 C ATOM 395 O PRO A 25 -6.528 -4.382 11.001 1.00 0.00 O ATOM 396 CB PRO A 25 -8.889 -4.459 13.299 1.00 0.00 C ATOM 397 CG PRO A 25 -9.438 -5.659 13.992 1.00 0.00 C ATOM 398 CD PRO A 25 -10.299 -6.344 12.975 1.00 0.00 C ATOM 0 HA PRO A 25 -8.986 -4.117 11.120 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.938 -4.152 13.734 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.567 -3.610 13.383 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.638 -6.315 14.336 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.017 -5.375 14.871 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.378 -7.414 13.166 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.314 -5.946 12.969 1.00 0.00 H new ATOM 406 N GLU A 26 -6.827 -6.408 11.938 1.00 0.00 N ATOM 407 CA GLU A 26 -5.447 -6.838 11.729 1.00 0.00 C ATOM 408 C GLU A 26 -5.012 -6.628 10.281 1.00 0.00 C ATOM 409 O GLU A 26 -3.847 -6.342 10.008 1.00 0.00 O ATOM 410 CB GLU A 26 -5.287 -8.312 12.112 1.00 0.00 C ATOM 411 CG GLU A 26 -6.177 -9.248 11.310 1.00 0.00 C ATOM 412 CD GLU A 26 -5.992 -10.701 11.700 1.00 0.00 C ATOM 413 OE1 GLU A 26 -6.224 -11.033 12.880 1.00 0.00 O ATOM 414 OE2 GLU A 26 -5.614 -11.507 10.823 1.00 0.00 O ATOM 0 H GLU A 26 -7.418 -7.101 12.398 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.808 -6.228 12.368 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.246 -8.604 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.511 -8.430 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.220 -8.966 11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.960 -9.130 10.248 1.00 0.00 H new ATOM 421 N ILE A 27 -5.957 -6.776 9.357 1.00 0.00 N ATOM 422 CA ILE A 27 -5.673 -6.607 7.936 1.00 0.00 C ATOM 423 C ILE A 27 -5.267 -5.170 7.626 1.00 0.00 C ATOM 424 O ILE A 27 -4.276 -4.923 6.938 1.00 0.00 O ATOM 425 CB ILE A 27 -6.906 -6.947 7.077 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.616 -8.193 7.612 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.494 -7.140 5.622 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.899 -9.494 7.335 1.00 0.00 C ATOM 0 H ILE A 27 -6.927 -7.013 9.567 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.855 -7.287 7.697 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.607 -6.115 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.745 -8.087 8.689 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.613 -8.243 7.175 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.373 -7.380 5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.040 -6.223 5.248 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.774 -7.956 5.553 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.474 -10.322 7.750 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.793 -9.629 6.259 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.912 -9.471 7.797 1.00 0.00 H new ATOM 440 N TYR A 28 -6.057 -4.227 8.132 1.00 0.00 N ATOM 441 CA TYR A 28 -5.814 -2.806 7.913 1.00 0.00 C ATOM 442 C TYR A 28 -4.444 -2.387 8.441 1.00 0.00 C ATOM 443 O TYR A 28 -3.672 -1.735 7.741 1.00 0.00 O ATOM 444 CB TYR A 28 -6.908 -1.989 8.596 1.00 0.00 C ATOM 445 CG TYR A 28 -6.881 -0.514 8.271 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.103 -0.072 6.976 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.652 0.434 9.259 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.095 1.276 6.669 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.644 1.784 8.963 1.00 0.00 C ATOM 450 CZ TYR A 28 -6.865 2.200 7.667 1.00 0.00 C ATOM 451 OH TYR A 28 -6.858 3.543 7.368 1.00 0.00 O ATOM 0 H TYR A 28 -6.879 -4.426 8.702 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.830 -2.618 6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.879 -2.394 8.310 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.816 -2.112 9.675 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.285 -0.793 6.193 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.477 0.112 10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.268 1.603 5.654 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.466 2.510 9.743 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.683 4.059 8.183 1.00 0.00 H new ATOM 461 N ARG A 29 -4.157 -2.760 9.684 1.00 0.00 N ATOM 462 CA ARG A 29 -2.890 -2.419 10.320 1.00 0.00 C ATOM 463 C ARG A 29 -1.694 -2.950 9.535 1.00 0.00 C ATOM 464 O ARG A 29 -0.798 -2.192 9.165 1.00 0.00 O ATOM 465 CB ARG A 29 -2.865 -2.984 11.737 1.00 0.00 C ATOM 466 CG ARG A 29 -3.856 -2.314 12.673 1.00 0.00 C ATOM 467 CD ARG A 29 -3.472 -0.871 12.951 1.00 0.00 C ATOM 468 NE ARG A 29 -4.430 -0.205 13.828 1.00 0.00 N ATOM 469 CZ ARG A 29 -4.301 1.053 14.242 1.00 0.00 C ATOM 470 NH1 ARG A 29 -3.252 1.775 13.869 1.00 0.00 N ATOM 471 NH2 ARG A 29 -5.221 1.589 15.032 1.00 0.00 N ATOM 0 H ARG A 29 -4.789 -3.302 10.274 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.811 -1.332 10.345 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.079 -4.052 11.698 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.860 -2.875 12.146 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.853 -2.348 12.234 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.902 -2.866 13.611 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.483 -0.842 13.407 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.405 -0.327 12.009 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.244 -0.734 14.141 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.541 1.366 13.263 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.157 2.739 14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.028 1.037 15.323 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.122 2.553 15.349 1.00 0.00 H new ATOM 485 N SER A 30 -1.680 -4.257 9.302 1.00 0.00 N ATOM 486 CA SER A 30 -0.585 -4.897 8.578 1.00 0.00 C ATOM 487 C SER A 30 -0.334 -4.222 7.229 1.00 0.00 C ATOM 488 O SER A 30 0.803 -3.880 6.905 1.00 0.00 O ATOM 489 CB SER A 30 -0.882 -6.384 8.379 1.00 0.00 C ATOM 490 OG SER A 30 -1.017 -7.047 9.623 1.00 0.00 O ATOM 0 H SER A 30 -2.415 -4.896 9.604 1.00 0.00 H new ATOM 0 HA SER A 30 0.319 -4.790 9.177 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.798 -6.501 7.800 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.079 -6.845 7.803 1.00 0.00 H new ATOM 0 HG SER A 30 -1.927 -6.922 9.963 1.00 0.00 H new ATOM 496 N PHE A 31 -1.398 -4.029 6.451 1.00 0.00 N ATOM 497 CA PHE A 31 -1.289 -3.390 5.139 1.00 0.00 C ATOM 498 C PHE A 31 -0.549 -2.058 5.237 1.00 0.00 C ATOM 499 O PHE A 31 0.386 -1.793 4.476 1.00 0.00 O ATOM 500 CB PHE A 31 -2.684 -3.162 4.551 1.00 0.00 C ATOM 501 CG PHE A 31 -2.681 -2.351 3.287 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.111 -2.853 2.127 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.253 -1.088 3.259 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.110 -2.110 0.963 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.255 -0.342 2.095 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.682 -0.853 0.946 1.00 0.00 C ATOM 0 H PHE A 31 -2.346 -4.306 6.706 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.721 -4.052 4.486 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.147 -4.128 4.351 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.304 -2.659 5.293 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.663 -3.836 2.134 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.701 -0.683 4.155 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.662 -2.512 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.704 0.640 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.681 -0.271 0.037 1.00 0.00 H new ATOM 516 N LEU A 32 -0.975 -1.224 6.179 1.00 0.00 N ATOM 517 CA LEU A 32 -0.359 0.079 6.380 1.00 0.00 C ATOM 518 C LEU A 32 1.124 -0.075 6.690 1.00 0.00 C ATOM 519 O LEU A 32 1.956 0.670 6.176 1.00 0.00 O ATOM 520 CB LEU A 32 -1.071 0.829 7.504 1.00 0.00 C ATOM 521 CG LEU A 32 -2.565 1.056 7.272 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.190 1.775 8.454 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.786 1.840 5.991 1.00 0.00 C ATOM 0 H LEU A 32 -1.745 -1.429 6.815 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.456 0.658 5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.941 0.273 8.433 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.587 1.796 7.641 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.050 0.085 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.253 1.926 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.061 1.175 9.355 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.705 2.741 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.854 1.994 5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.287 2.806 6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.376 1.283 5.148 1.00 0.00 H new ATOM 535 N GLU A 33 1.447 -1.060 7.521 1.00 0.00 N ATOM 536 CA GLU A 33 2.831 -1.331 7.885 1.00 0.00 C ATOM 537 C GLU A 33 3.624 -1.751 6.654 1.00 0.00 C ATOM 538 O GLU A 33 4.821 -1.499 6.564 1.00 0.00 O ATOM 539 CB GLU A 33 2.901 -2.422 8.956 1.00 0.00 C ATOM 540 CG GLU A 33 4.318 -2.739 9.408 1.00 0.00 C ATOM 541 CD GLU A 33 4.364 -3.823 10.467 1.00 0.00 C ATOM 542 OE1 GLU A 33 3.772 -3.622 11.549 1.00 0.00 O ATOM 543 OE2 GLU A 33 4.993 -4.871 10.217 1.00 0.00 O ATOM 0 H GLU A 33 0.767 -1.684 7.955 1.00 0.00 H new ATOM 0 HA GLU A 33 3.267 -0.419 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.314 -2.110 9.820 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.440 -3.331 8.568 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.908 -3.052 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.781 -1.834 9.800 1.00 0.00 H new ATOM 550 N ILE A 34 2.945 -2.389 5.702 1.00 0.00 N ATOM 551 CA ILE A 34 3.593 -2.827 4.472 1.00 0.00 C ATOM 552 C ILE A 34 4.120 -1.626 3.699 1.00 0.00 C ATOM 553 O ILE A 34 5.308 -1.545 3.385 1.00 0.00 O ATOM 554 CB ILE A 34 2.626 -3.618 3.584 1.00 0.00 C ATOM 555 CG1 ILE A 34 2.158 -4.866 4.326 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.295 -3.986 2.266 1.00 0.00 C ATOM 557 CD1 ILE A 34 1.141 -5.668 3.561 1.00 0.00 C ATOM 0 H ILE A 34 1.951 -2.612 5.760 1.00 0.00 H new ATOM 0 HA ILE A 34 4.422 -3.479 4.748 1.00 0.00 H new ATOM 0 HB ILE A 34 1.758 -3.000 3.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.020 -5.497 4.541 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.731 -4.571 5.285 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.595 -4.547 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.594 -3.077 1.743 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.176 -4.597 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.851 -6.541 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.262 -5.053 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.571 -5.992 2.614 1.00 0.00 H new ATOM 569 N LEU A 35 3.226 -0.681 3.417 1.00 0.00 N ATOM 570 CA LEU A 35 3.597 0.535 2.704 1.00 0.00 C ATOM 571 C LEU A 35 4.606 1.327 3.535 1.00 0.00 C ATOM 572 O LEU A 35 5.557 1.911 3.008 1.00 0.00 O ATOM 573 CB LEU A 35 2.354 1.390 2.434 1.00 0.00 C ATOM 574 CG LEU A 35 1.257 0.716 1.604 1.00 0.00 C ATOM 575 CD1 LEU A 35 -0.023 1.535 1.654 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.708 0.537 0.160 1.00 0.00 C ATOM 0 H LEU A 35 2.240 -0.736 3.672 1.00 0.00 H new ATOM 0 HA LEU A 35 4.049 0.266 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.928 1.692 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.665 2.301 1.922 1.00 0.00 H new ATOM 0 HG LEU A 35 1.062 -0.268 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.793 1.043 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.361 1.620 2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.166 2.530 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.914 0.057 -0.412 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.930 1.511 -0.275 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.603 -0.085 0.133 1.00 0.00 H new ATOM 588 N HIS A 36 4.380 1.327 4.846 1.00 0.00 N ATOM 589 CA HIS A 36 5.243 2.025 5.791 1.00 0.00 C ATOM 590 C HIS A 36 6.669 1.479 5.745 1.00 0.00 C ATOM 591 O HIS A 36 7.631 2.244 5.672 1.00 0.00 O ATOM 592 CB HIS A 36 4.664 1.897 7.204 1.00 0.00 C ATOM 593 CG HIS A 36 4.012 3.150 7.698 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.669 4.360 7.788 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.751 3.376 8.134 1.00 0.00 C ATOM 596 CE1 HIS A 36 3.841 5.275 8.260 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.671 4.704 8.477 1.00 0.00 N ATOM 0 H HIS A 36 3.594 0.844 5.281 1.00 0.00 H new ATOM 0 HA HIS A 36 5.285 3.078 5.512 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.934 1.088 7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.462 1.617 7.891 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.956 2.648 8.200 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.081 6.313 8.438 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.841 5.173 8.841 1.00 0.00 H new ATOM 606 N THR A 37 6.797 0.156 5.773 1.00 0.00 N ATOM 607 CA THR A 37 8.103 -0.490 5.721 1.00 0.00 C ATOM 608 C THR A 37 8.813 -0.140 4.422 1.00 0.00 C ATOM 609 O THR A 37 10.030 0.050 4.392 1.00 0.00 O ATOM 610 CB THR A 37 7.979 -2.023 5.836 1.00 0.00 C ATOM 611 OG1 THR A 37 7.378 -2.374 7.089 1.00 0.00 O ATOM 612 CG2 THR A 37 9.341 -2.695 5.718 1.00 0.00 C ATOM 0 H THR A 37 6.010 -0.490 5.832 1.00 0.00 H new ATOM 0 HA THR A 37 8.683 -0.125 6.568 1.00 0.00 H new ATOM 0 HB THR A 37 7.350 -2.372 5.017 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.435 -2.108 7.085 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.222 -3.775 5.803 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.783 -2.453 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.993 -2.338 6.515 1.00 0.00 H new ATOM 939 N GLU A 57 8.377 -6.227 -3.186 1.00 0.00 N ATOM 940 CA GLU A 57 8.052 -6.719 -1.851 1.00 0.00 C ATOM 941 C GLU A 57 6.688 -6.228 -1.380 1.00 0.00 C ATOM 942 O GLU A 57 5.889 -7.008 -0.862 1.00 0.00 O ATOM 943 CB GLU A 57 9.131 -6.311 -0.845 1.00 0.00 C ATOM 944 CG GLU A 57 8.805 -6.714 0.585 1.00 0.00 C ATOM 945 CD GLU A 57 9.990 -6.567 1.521 1.00 0.00 C ATOM 946 OE1 GLU A 57 11.093 -6.233 1.039 1.00 0.00 O ATOM 947 OE2 GLU A 57 9.816 -6.795 2.736 1.00 0.00 O ATOM 0 HA GLU A 57 8.013 -7.807 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.079 -6.764 -1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.268 -5.231 -0.888 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.980 -6.102 0.951 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.464 -7.749 0.597 1.00 0.00 H new ATOM 954 N VAL A 58 6.424 -4.935 -1.552 1.00 0.00 N ATOM 955 CA VAL A 58 5.151 -4.361 -1.131 1.00 0.00 C ATOM 956 C VAL A 58 3.983 -5.135 -1.730 1.00 0.00 C ATOM 957 O VAL A 58 3.029 -5.475 -1.033 1.00 0.00 O ATOM 958 CB VAL A 58 5.034 -2.878 -1.531 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.709 -2.297 -1.060 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.200 -2.081 -0.966 1.00 0.00 C ATOM 0 H VAL A 58 7.070 -4.270 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 58 5.116 -4.432 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 58 5.067 -2.812 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.647 -1.249 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.887 -2.850 -1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.643 -2.375 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.102 -1.035 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.199 -2.156 0.121 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.136 -2.480 -1.356 1.00 0.00 H new ATOM 970 N PHE A 59 4.077 -5.426 -3.021 1.00 0.00 N ATOM 971 CA PHE A 59 3.039 -6.179 -3.713 1.00 0.00 C ATOM 972 C PHE A 59 2.873 -7.555 -3.079 1.00 0.00 C ATOM 973 O PHE A 59 1.770 -8.097 -3.018 1.00 0.00 O ATOM 974 CB PHE A 59 3.390 -6.323 -5.198 1.00 0.00 C ATOM 975 CG PHE A 59 2.428 -7.180 -5.975 1.00 0.00 C ATOM 976 CD1 PHE A 59 1.063 -6.947 -5.920 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.894 -8.222 -6.763 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.181 -7.734 -6.635 1.00 0.00 C ATOM 979 CE2 PHE A 59 2.016 -9.014 -7.479 1.00 0.00 C ATOM 980 CZ PHE A 59 0.659 -8.769 -7.415 1.00 0.00 C ATOM 0 H PHE A 59 4.863 -5.152 -3.611 1.00 0.00 H new ATOM 0 HA PHE A 59 2.098 -5.636 -3.625 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.424 -5.332 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.390 -6.748 -5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.684 -6.140 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.955 -8.417 -6.818 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.880 -7.540 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.391 -9.823 -8.088 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.028 -9.386 -7.974 1.00 0.00 H new ATOM 990 N THR A 60 3.986 -8.114 -2.617 1.00 0.00 N ATOM 991 CA THR A 60 3.992 -9.431 -1.992 1.00 0.00 C ATOM 992 C THR A 60 3.240 -9.438 -0.661 1.00 0.00 C ATOM 993 O THR A 60 2.283 -10.191 -0.488 1.00 0.00 O ATOM 994 CB THR A 60 5.439 -9.916 -1.765 1.00 0.00 C ATOM 995 OG1 THR A 60 6.090 -10.122 -3.024 1.00 0.00 O ATOM 996 CG2 THR A 60 5.471 -11.201 -0.953 1.00 0.00 C ATOM 0 H THR A 60 4.903 -7.671 -2.665 1.00 0.00 H new ATOM 0 HA THR A 60 3.480 -10.109 -2.675 1.00 0.00 H new ATOM 0 HB THR A 60 5.967 -9.146 -1.203 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.008 -10.428 -2.871 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.505 -11.516 -0.811 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.007 -11.029 0.018 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.924 -11.980 -1.484 1.00 0.00 H new ATOM 1004 N GLU A 61 3.684 -8.606 0.276 1.00 0.00 N ATOM 1005 CA GLU A 61 3.064 -8.522 1.594 1.00 0.00 C ATOM 1006 C GLU A 61 1.578 -8.195 1.490 1.00 0.00 C ATOM 1007 O GLU A 61 0.753 -8.802 2.174 1.00 0.00 O ATOM 1008 CB GLU A 61 3.774 -7.466 2.443 1.00 0.00 C ATOM 1009 CG GLU A 61 5.246 -7.761 2.680 1.00 0.00 C ATOM 1010 CD GLU A 61 5.468 -9.083 3.388 1.00 0.00 C ATOM 1011 OE1 GLU A 61 4.958 -9.245 4.517 1.00 0.00 O ATOM 1012 OE2 GLU A 61 6.152 -9.956 2.814 1.00 0.00 O ATOM 0 H GLU A 61 4.476 -7.977 0.145 1.00 0.00 H new ATOM 0 HA GLU A 61 3.162 -9.496 2.073 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.681 -6.497 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.269 -7.387 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.769 -7.773 1.724 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.683 -6.957 3.273 1.00 0.00 H new ATOM 1019 N VAL A 62 1.239 -7.237 0.632 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.154 -6.846 0.448 1.00 0.00 C ATOM 1021 C VAL A 62 -0.962 -8.005 -0.126 1.00 0.00 C ATOM 1022 O VAL A 62 -2.083 -8.264 0.308 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.290 -5.626 -0.480 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.757 -5.277 -0.692 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.467 -4.435 0.088 1.00 0.00 C ATOM 0 H VAL A 62 1.905 -6.721 0.057 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.542 -6.575 1.430 1.00 0.00 H new ATOM 0 HB VAL A 62 0.146 -5.879 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.834 -4.412 -1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.271 -6.125 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.218 -5.044 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.359 -3.582 -0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.062 -4.180 1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.523 -4.688 0.186 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.380 -8.707 -1.095 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.042 -9.849 -1.714 1.00 0.00 C ATOM 1037 C ALA A 63 -1.314 -10.928 -0.674 1.00 0.00 C ATOM 1038 O ALA A 63 -2.377 -11.550 -0.666 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.194 -10.407 -2.846 1.00 0.00 C ATOM 0 H ALA A 63 0.548 -8.504 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.993 -9.515 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.704 -11.259 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.041 -9.635 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.771 -10.728 -2.454 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.342 -11.134 0.210 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.459 -12.123 1.271 1.00 0.00 C ATOM 1047 C ASN A 64 -1.629 -11.790 2.192 1.00 0.00 C ATOM 1048 O ASN A 64 -2.401 -12.670 2.577 1.00 0.00 O ATOM 1049 CB ASN A 64 0.847 -12.195 2.066 1.00 0.00 C ATOM 1050 CG ASN A 64 1.955 -12.886 1.296 1.00 0.00 C ATOM 1051 OD1 ASN A 64 3.064 -12.183 1.092 1.00 0.00 O flip ATOM 1052 ND2 ASN A 64 1.818 -14.040 0.891 1.00 0.00 N flip ATOM 0 H ASN A 64 0.541 -10.624 0.210 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.650 -13.097 0.820 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.165 -11.186 2.329 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.671 -12.727 3.001 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.949 -14.544 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 64 2.573 -14.493 0.376 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.763 -10.512 2.526 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.843 -10.049 3.384 1.00 0.00 C ATOM 1061 C LEU A 65 -4.186 -10.196 2.693 1.00 0.00 C ATOM 1062 O LEU A 65 -5.067 -10.923 3.154 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.630 -8.581 3.724 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.046 -8.299 5.099 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -1.736 -6.821 5.221 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.016 -8.738 6.186 1.00 0.00 C ATOM 0 H LEU A 65 -1.132 -9.775 2.212 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.840 -10.655 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.970 -8.146 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.587 -8.066 3.644 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.123 -8.866 5.223 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.317 -6.617 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.015 -6.536 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.652 -6.245 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.584 -8.530 7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.953 -8.192 6.079 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.206 -9.807 6.094 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.328 -9.476 1.592 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.555 -9.478 0.808 1.00 0.00 C ATOM 1080 C PHE A 66 -5.725 -10.784 0.030 1.00 0.00 C ATOM 1081 O PHE A 66 -6.210 -10.775 -1.103 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.546 -8.300 -0.172 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.521 -6.931 0.464 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -5.269 -6.762 1.821 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.739 -5.805 -0.314 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -5.240 -5.498 2.383 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -5.711 -4.541 0.244 1.00 0.00 C ATOM 1088 CZ PHE A 66 -5.462 -4.387 1.593 1.00 0.00 C ATOM 0 H PHE A 66 -3.596 -8.873 1.216 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.392 -9.383 1.500 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.676 -8.396 -0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.429 -8.371 -0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.094 -7.627 2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.933 -5.917 -1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.044 -5.380 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.884 -3.673 -0.376 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.441 -3.400 2.030 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.337 -11.904 0.635 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.467 -13.202 -0.018 1.00 0.00 C ATOM 1100 C ARG A 67 -6.925 -13.461 -0.375 1.00 0.00 C ATOM 1101 O ARG A 67 -7.816 -13.283 0.455 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.933 -14.313 0.890 1.00 0.00 C ATOM 1103 CG ARG A 67 -5.070 -15.707 0.298 1.00 0.00 C ATOM 1104 CD ARG A 67 -4.410 -16.753 1.182 1.00 0.00 C ATOM 1105 NE ARG A 67 -2.967 -16.545 1.288 1.00 0.00 N ATOM 1106 CZ ARG A 67 -2.154 -17.334 1.986 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -2.639 -18.377 2.645 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -0.854 -17.077 2.026 1.00 0.00 N ATOM 0 H ARG A 67 -4.932 -11.938 1.571 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.877 -13.195 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.882 -14.121 1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.464 -14.279 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -6.125 -15.948 0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.618 -15.729 -0.694 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.855 -16.721 2.176 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.605 -17.746 0.777 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.559 -15.748 0.798 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.639 -18.577 2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.012 -18.979 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.477 -16.274 1.522 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.231 -17.682 2.561 1.00 0.00 H new ATOM 1122 N GLY A 68 -7.167 -13.860 -1.620 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.527 -14.107 -2.059 1.00 0.00 C ATOM 1124 C GLY A 68 -9.253 -12.817 -2.395 1.00 0.00 C ATOM 1125 O GLY A 68 -10.113 -12.789 -3.275 1.00 0.00 O ATOM 0 H GLY A 68 -6.450 -14.016 -2.328 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.514 -14.756 -2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.071 -14.637 -1.277 1.00 0.00 H new ATOM 1129 N GLN A 69 -8.897 -11.748 -1.683 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.500 -10.434 -1.889 1.00 0.00 C ATOM 1131 C GLN A 69 -8.907 -9.761 -3.128 1.00 0.00 C ATOM 1132 O GLN A 69 -8.488 -8.604 -3.080 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.263 -9.558 -0.656 1.00 0.00 C ATOM 1134 CG GLN A 69 -9.528 -10.273 0.661 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.987 -10.641 0.855 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -11.590 -11.314 0.019 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -11.558 -10.214 1.976 1.00 0.00 N ATOM 0 H GLN A 69 -8.186 -11.769 -0.951 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.572 -10.560 -2.042 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.232 -9.203 -0.666 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.904 -8.678 -0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.922 -11.178 0.704 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -9.208 -9.635 1.485 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.021 -9.658 2.642 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.533 -10.442 2.171 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.859 -10.505 -4.230 1.00 0.00 N ATOM 1147 CA GLU A 70 -8.300 -10.007 -5.484 1.00 0.00 C ATOM 1148 C GLU A 70 -8.971 -8.721 -5.961 1.00 0.00 C ATOM 1149 O GLU A 70 -8.450 -8.040 -6.846 1.00 0.00 O ATOM 1150 CB GLU A 70 -8.401 -11.075 -6.558 1.00 0.00 C ATOM 1151 CG GLU A 70 -7.501 -12.261 -6.286 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.026 -11.895 -6.250 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -5.627 -11.107 -5.367 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.271 -12.399 -7.108 1.00 0.00 O ATOM 0 H GLU A 70 -9.204 -11.464 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.253 -9.769 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.434 -11.416 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.141 -10.640 -7.523 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.781 -12.711 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.663 -13.016 -7.055 1.00 0.00 H new ATOM 1161 N ASP A 71 -10.122 -8.388 -5.386 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.841 -7.179 -5.777 1.00 0.00 C ATOM 1163 C ASP A 71 -9.995 -5.942 -5.511 1.00 0.00 C ATOM 1164 O ASP A 71 -9.825 -5.093 -6.387 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.163 -7.080 -5.026 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.903 -5.790 -5.320 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -13.246 -5.558 -6.498 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -13.139 -5.012 -4.372 1.00 0.00 O ATOM 0 H ASP A 71 -10.575 -8.933 -4.653 1.00 0.00 H new ATOM 0 HA ASP A 71 -11.047 -7.236 -6.846 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.794 -7.927 -5.295 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.975 -7.151 -3.955 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.459 -5.853 -4.302 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.618 -4.728 -3.921 1.00 0.00 C ATOM 1175 C LEU A 72 -7.287 -4.791 -4.660 1.00 0.00 C ATOM 1176 O LEU A 72 -6.717 -3.763 -5.024 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.391 -4.719 -2.410 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.665 -4.612 -1.570 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.331 -4.637 -0.087 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.435 -3.344 -1.923 1.00 0.00 C ATOM 0 H LEU A 72 -9.592 -6.548 -3.567 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.126 -3.804 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.864 -5.631 -2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.737 -3.884 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.297 -5.471 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.250 -4.560 0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.825 -5.571 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.678 -3.798 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.338 -3.286 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.810 -2.473 -1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.709 -3.366 -2.978 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.810 -6.012 -4.897 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.578 -6.237 -5.602 1.00 0.00 C ATOM 1194 C LEU A 73 -5.644 -5.619 -6.985 1.00 0.00 C ATOM 1195 O LEU A 73 -4.666 -5.071 -7.485 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.367 -7.734 -5.705 1.00 0.00 C ATOM 1197 CG LEU A 73 -4.298 -8.312 -4.778 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.960 -7.627 -4.998 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.733 -8.167 -3.335 1.00 0.00 C ATOM 0 H LEU A 73 -7.279 -6.867 -4.599 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.748 -5.775 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.313 -8.232 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.101 -7.976 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.177 -9.370 -5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.217 -8.056 -4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.643 -7.772 -6.031 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.059 -6.561 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.966 -8.581 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.877 -7.112 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.669 -8.703 -3.182 1.00 0.00 H new ATOM 1211 N SER A 74 -6.821 -5.712 -7.584 1.00 0.00 N ATOM 1212 CA SER A 74 -7.061 -5.161 -8.903 1.00 0.00 C ATOM 1213 C SER A 74 -6.693 -3.684 -8.934 1.00 0.00 C ATOM 1214 O SER A 74 -6.138 -3.186 -9.912 1.00 0.00 O ATOM 1215 CB SER A 74 -8.533 -5.336 -9.266 1.00 0.00 C ATOM 1216 OG SER A 74 -8.870 -6.708 -9.389 1.00 0.00 O ATOM 0 H SER A 74 -7.632 -6.170 -7.169 1.00 0.00 H new ATOM 0 HA SER A 74 -6.442 -5.689 -9.628 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.157 -4.873 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.743 -4.822 -10.204 1.00 0.00 H new ATOM 0 HG SER A 74 -8.742 -7.155 -8.526 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.016 -2.993 -7.848 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.736 -1.570 -7.725 1.00 0.00 C ATOM 1224 C GLU A 75 -5.268 -1.321 -7.380 1.00 0.00 C ATOM 1225 O GLU A 75 -4.622 -0.449 -7.964 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.641 -0.965 -6.652 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.111 -1.300 -6.842 1.00 0.00 C ATOM 1228 CD GLU A 75 -9.995 -0.674 -5.782 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.797 -0.981 -4.588 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -10.885 0.124 -6.146 1.00 0.00 O ATOM 0 H GLU A 75 -7.476 -3.400 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 75 -6.936 -1.093 -8.685 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.319 -1.320 -5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.520 0.118 -6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.433 -0.959 -7.826 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.238 -2.382 -6.823 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.753 -2.089 -6.423 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.364 -1.957 -5.985 1.00 0.00 C ATOM 1239 C PHE A 76 -2.399 -2.140 -7.153 1.00 0.00 C ATOM 1240 O PHE A 76 -1.429 -1.394 -7.296 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.060 -2.996 -4.900 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.728 -2.812 -4.221 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.324 -1.560 -3.781 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.888 -3.894 -4.014 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.108 -1.393 -3.148 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.333 -3.733 -3.382 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.723 -2.479 -2.948 1.00 0.00 C ATOM 0 H PHE A 76 -5.279 -2.813 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.229 -0.953 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.847 -2.958 -4.147 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.093 -3.990 -5.346 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.968 -0.706 -3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.189 -4.875 -4.350 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.194 -0.413 -2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.979 -4.584 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.675 -2.349 -2.454 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.672 -3.145 -7.976 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.826 -3.434 -9.118 1.00 0.00 C ATOM 1259 C GLY A 77 -1.745 -2.281 -10.103 1.00 0.00 C ATOM 1260 O GLY A 77 -0.679 -2.006 -10.654 1.00 0.00 O ATOM 0 H GLY A 77 -3.471 -3.770 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.823 -3.677 -8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.207 -4.317 -9.631 1.00 0.00 H new ATOM 1423 N ILE B 2 2.900 4.439 -4.462 1.00 0.00 N ATOM 1424 CA ILE B 2 2.814 3.973 -3.083 1.00 0.00 C ATOM 1425 C ILE B 2 2.779 5.144 -2.107 1.00 0.00 C ATOM 1426 O ILE B 2 2.040 5.121 -1.126 1.00 0.00 O ATOM 1427 CB ILE B 2 3.995 3.049 -2.723 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.974 1.790 -3.598 1.00 0.00 C ATOM 1429 CG2 ILE B 2 3.957 2.680 -1.245 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.716 0.957 -3.440 1.00 0.00 C ATOM 0 HA ILE B 2 1.886 3.408 -2.999 1.00 0.00 H new ATOM 0 HB ILE B 2 4.924 3.585 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE B 2 4.076 2.083 -4.643 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.840 1.174 -3.354 1.00 0.00 H new ATOM 0 HG21 ILE B 2 4.798 2.028 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.021 3.586 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.024 2.162 -1.023 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.774 0.084 -4.090 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.622 0.633 -2.404 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.847 1.555 -3.713 1.00 0.00 H new ATOM 1442 N GLN B 3 3.582 6.166 -2.386 1.00 0.00 N ATOM 1443 CA GLN B 3 3.644 7.348 -1.537 1.00 0.00 C ATOM 1444 C GLN B 3 2.256 7.951 -1.348 1.00 0.00 C ATOM 1445 O GLN B 3 1.903 8.383 -0.252 1.00 0.00 O ATOM 1446 CB GLN B 3 4.604 8.380 -2.143 1.00 0.00 C ATOM 1447 CG GLN B 3 4.579 9.742 -1.460 1.00 0.00 C ATOM 1448 CD GLN B 3 3.396 10.591 -1.892 1.00 0.00 C ATOM 1449 OE1 GLN B 3 2.542 10.950 -0.941 1.00 0.00 O flip ATOM 1450 NE2 GLN B 3 3.252 10.919 -3.069 1.00 0.00 N flip ATOM 0 H GLN B 3 4.200 6.198 -3.197 1.00 0.00 H new ATOM 0 HA GLN B 3 4.019 7.054 -0.557 1.00 0.00 H new ATOM 0 HB2 GLN B 3 5.619 7.984 -2.099 1.00 0.00 H new ATOM 0 HB3 GLN B 3 4.359 8.511 -3.197 1.00 0.00 H new ATOM 0 HG2 GLN B 3 4.545 9.602 -0.380 1.00 0.00 H new ATOM 0 HG3 GLN B 3 5.504 10.274 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN B 3 3.932 10.621 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN B 3 2.452 11.489 -3.346 1.00 0.00 H new ATOM 1459 N MET B 4 1.481 7.984 -2.425 1.00 0.00 N ATOM 1460 CA MET B 4 0.135 8.543 -2.381 1.00 0.00 C ATOM 1461 C MET B 4 -0.786 7.716 -1.484 1.00 0.00 C ATOM 1462 O MET B 4 -1.530 8.270 -0.675 1.00 0.00 O ATOM 1463 CB MET B 4 -0.446 8.626 -3.793 1.00 0.00 C ATOM 1464 CG MET B 4 -1.804 9.307 -3.852 1.00 0.00 C ATOM 1465 SD MET B 4 -2.459 9.412 -5.528 1.00 0.00 S ATOM 1466 CE MET B 4 -1.192 10.395 -6.327 1.00 0.00 C ATOM 0 H MET B 4 1.761 7.630 -3.340 1.00 0.00 H new ATOM 0 HA MET B 4 0.203 9.545 -1.958 1.00 0.00 H new ATOM 0 HB2 MET B 4 0.251 9.167 -4.433 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.536 7.619 -4.200 1.00 0.00 H new ATOM 0 HG2 MET B 4 -2.508 8.759 -3.225 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.721 10.311 -3.436 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.602 10.857 -7.225 1.00 0.00 H new ATOM 0 HE2 MET B 4 -0.849 11.172 -5.643 1.00 0.00 H new ATOM 0 HE3 MET B 4 -0.353 9.755 -6.600 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.737 6.393 -1.630 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.578 5.508 -0.825 1.00 0.00 C ATOM 1478 C LEU B 5 -1.196 5.575 0.649 1.00 0.00 C ATOM 1479 O LEU B 5 -2.054 5.763 1.512 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.483 4.063 -1.326 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.024 3.829 -2.740 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.984 2.350 -3.087 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.442 4.367 -2.868 1.00 0.00 C ATOM 0 H LEU B 5 -0.129 5.913 -2.293 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.608 5.849 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.438 3.753 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.026 3.419 -0.635 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.388 4.367 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.372 2.202 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.955 1.992 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.596 1.793 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -3.808 4.191 -3.880 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -4.090 3.858 -2.154 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.445 5.437 -2.662 1.00 0.00 H new ATOM 1495 N LEU B 6 0.094 5.427 0.929 1.00 0.00 N ATOM 1496 CA LEU B 6 0.590 5.478 2.298 1.00 0.00 C ATOM 1497 C LEU B 6 0.222 6.812 2.939 1.00 0.00 C ATOM 1498 O LEU B 6 -0.182 6.867 4.100 1.00 0.00 O ATOM 1499 CB LEU B 6 2.107 5.270 2.316 1.00 0.00 C ATOM 1500 CG LEU B 6 2.753 5.230 3.704 1.00 0.00 C ATOM 1501 CD1 LEU B 6 2.095 4.170 4.576 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.244 4.961 3.580 1.00 0.00 C ATOM 0 H LEU B 6 0.815 5.271 0.225 1.00 0.00 H new ATOM 0 HA LEU B 6 0.125 4.678 2.875 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.334 4.336 1.802 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.572 6.071 1.741 1.00 0.00 H new ATOM 0 HG LEU B 6 2.608 6.200 4.179 1.00 0.00 H new ATOM 0 HD11 LEU B 6 2.570 4.160 5.557 1.00 0.00 H new ATOM 0 HD12 LEU B 6 1.035 4.398 4.688 1.00 0.00 H new ATOM 0 HD13 LEU B 6 2.208 3.192 4.108 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.693 4.935 4.573 1.00 0.00 H new ATOM 0 HD22 LEU B 6 4.401 4.002 3.085 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.709 5.753 2.993 1.00 0.00 H new ATOM 1514 N GLU B 7 0.351 7.882 2.160 1.00 0.00 N ATOM 1515 CA GLU B 7 0.017 9.221 2.627 1.00 0.00 C ATOM 1516 C GLU B 7 -1.483 9.332 2.887 1.00 0.00 C ATOM 1517 O GLU B 7 -1.916 9.986 3.837 1.00 0.00 O ATOM 1518 CB GLU B 7 0.451 10.262 1.591 1.00 0.00 C ATOM 1519 CG GLU B 7 0.138 11.695 1.992 1.00 0.00 C ATOM 1520 CD GLU B 7 0.573 12.701 0.944 1.00 0.00 C ATOM 1521 OE1 GLU B 7 0.084 12.614 -0.202 1.00 0.00 O ATOM 1522 OE2 GLU B 7 1.401 13.578 1.270 1.00 0.00 O ATOM 0 H GLU B 7 0.686 7.846 1.197 1.00 0.00 H new ATOM 0 HA GLU B 7 0.548 9.409 3.560 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.524 10.168 1.423 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.041 10.044 0.643 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.934 11.795 2.164 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.634 11.921 2.936 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.266 8.683 2.030 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.722 8.689 2.145 1.00 0.00 C ATOM 1531 C ALA B 8 -4.173 8.120 3.485 1.00 0.00 C ATOM 1532 O ALA B 8 -5.081 8.654 4.122 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.333 7.892 1.003 1.00 0.00 C ATOM 0 H ALA B 8 -1.913 8.141 1.241 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.065 9.722 2.088 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.419 7.900 1.094 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.045 8.340 0.052 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.973 6.864 1.043 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.538 7.028 3.903 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.876 6.382 5.165 1.00 0.00 C ATOM 1541 C ALA B 9 -3.752 7.355 6.330 1.00 0.00 C ATOM 1542 O ALA B 9 -4.644 7.445 7.174 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.985 5.170 5.389 1.00 0.00 C ATOM 0 H ALA B 9 -2.786 6.573 3.385 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.914 6.053 5.111 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -3.247 4.696 6.335 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.127 4.459 4.575 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.942 5.485 5.418 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.643 8.088 6.367 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.404 9.063 7.426 1.00 0.00 C ATOM 1551 C ASP B 10 -3.534 10.086 7.467 1.00 0.00 C ATOM 1552 O ASP B 10 -3.964 10.514 8.538 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.062 9.766 7.204 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.724 10.746 8.314 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.492 11.711 8.510 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.310 10.547 8.985 1.00 0.00 O ATOM 0 H ASP B 10 -1.896 8.025 5.676 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.372 8.540 8.382 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.272 9.018 7.132 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.087 10.296 6.252 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.007 10.469 6.286 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.087 11.441 6.163 1.00 0.00 C ATOM 1563 C TYR B 11 -6.361 10.950 6.849 1.00 0.00 C ATOM 1564 O TYR B 11 -6.966 11.671 7.642 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.368 11.713 4.684 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.568 12.601 4.442 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.574 13.928 4.855 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.697 12.106 3.805 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -7.675 14.736 4.635 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.799 12.907 3.581 1.00 0.00 C ATOM 1571 CZ TYR B 11 -8.784 14.221 3.998 1.00 0.00 C ATOM 1572 OH TYR B 11 -9.882 15.021 3.779 1.00 0.00 O ATOM 0 H TYR B 11 -3.656 10.118 5.395 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.773 12.361 6.655 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.489 12.177 4.236 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.522 10.763 4.173 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -5.707 14.334 5.355 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.714 11.077 3.479 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -7.666 15.766 4.961 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.669 12.506 3.082 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.576 14.505 3.318 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.768 9.725 6.529 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.976 9.143 7.105 1.00 0.00 C ATOM 1584 C LEU B 12 -7.860 8.978 8.618 1.00 0.00 C ATOM 1585 O LEU B 12 -8.752 9.383 9.364 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.276 7.794 6.451 1.00 0.00 C ATOM 1587 CG LEU B 12 -8.719 7.871 4.988 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -8.890 6.475 4.407 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -10.013 8.661 4.872 1.00 0.00 C ATOM 0 H LEU B 12 -6.279 9.116 5.873 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.799 9.831 6.909 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.384 7.170 6.513 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -9.055 7.294 7.026 1.00 0.00 H new ATOM 0 HG LEU B 12 -7.946 8.385 4.417 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -9.205 6.550 3.366 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -7.942 5.940 4.461 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -9.645 5.934 4.977 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.318 8.709 3.827 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -10.792 8.170 5.455 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -9.858 9.671 5.251 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.762 8.378 9.067 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.544 8.161 10.495 1.00 0.00 C ATOM 1603 C GLU B 13 -6.407 9.490 11.232 1.00 0.00 C ATOM 1604 O GLU B 13 -6.601 9.503 12.466 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.297 7.304 10.726 1.00 0.00 C ATOM 1606 CG GLU B 13 -4.011 7.951 10.237 1.00 0.00 C ATOM 1607 CD GLU B 13 -2.790 7.094 10.508 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.523 6.799 11.692 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -2.101 6.717 9.538 1.00 0.00 O ATOM 1610 OXT GLU B 13 -6.107 10.505 10.570 1.00 0.00 O ATOM 0 H GLU B 13 -6.012 8.035 8.467 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.412 7.633 10.890 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.205 7.093 11.791 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -5.426 6.347 10.221 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -4.088 8.140 9.166 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -3.887 8.918 10.724 1.00 0.00 H new