USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 659 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 13 CYS SG : rot 180:sc= 0.118 USER MOD Single : A 16 SER OG : rot -36:sc= 0.265 USER MOD Single : A 17 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 18 TYR OH : rot 130:sc= 0.398 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.000601 (180deg=-0.0977) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= -0.921 (180deg=-1.14!) USER MOD Single : A 31 LYS NZ :NH3+ -121:sc= 0.839 (180deg=0.224) USER MOD Single : A 33 TYR OH : rot -99:sc= 0.0332 USER MOD Single : A 36 THR OG1 : rot -80:sc= 1.28 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 2.08 (180deg=2.01) USER MOD Single : A 49 SER OG : rot 74:sc= -0.645 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0167) USER MOD Single : A 58 MET CE :methyl -134:sc= -1.23 (180deg=-1.84) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0405 F(o=-1.2!,f=-0.041) USER MOD Single : A 64 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -1.27 F(o=-2,f=-1.3) USER MOD Single : A 77 SER OG : rot -82:sc= 1.25 USER MOD Single : A 78 THR OG1 : rot 85:sc= 1.04 USER MOD Single : A 83 ASN :FLIP amide:sc= -0.162 F(o=-0.81,f=-0.16) USER MOD Single : A 85 LYS NZ :NH3+ 169:sc= 0.936 (180deg=0.775) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.506 -7.571 4.266 1.00 0.00 N ATOM 155 CA GLY A 11 -2.129 -7.244 4.278 1.00 0.00 C ATOM 156 C GLY A 11 -1.475 -7.785 3.060 1.00 0.00 C ATOM 157 O GLY A 11 -1.698 -7.260 1.968 1.00 0.00 O ATOM 0 HA2 GLY A 11 -2.003 -6.162 4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.656 -7.655 5.170 1.00 0.00 H new ATOM 161 N LEU A 12 -0.800 -8.916 3.225 1.00 0.00 N ATOM 162 CA LEU A 12 0.010 -9.564 2.175 1.00 0.00 C ATOM 163 C LEU A 12 -0.844 -9.787 0.934 1.00 0.00 C ATOM 164 O LEU A 12 -0.478 -9.384 -0.166 1.00 0.00 O ATOM 165 CB LEU A 12 0.538 -10.918 2.720 1.00 0.00 C ATOM 166 CG LEU A 12 1.757 -11.601 2.024 1.00 0.00 C ATOM 167 CD1 LEU A 12 1.477 -12.022 0.585 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.985 -10.712 2.097 1.00 0.00 C ATOM 0 H LEU A 12 -0.794 -9.427 4.108 1.00 0.00 H new ATOM 0 HA LEU A 12 0.853 -8.929 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.801 -10.769 3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.291 -11.626 2.697 1.00 0.00 H new ATOM 0 HG LEU A 12 1.948 -12.521 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.367 -12.489 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.651 -12.733 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.213 -11.145 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.823 -11.207 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.779 -9.766 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.236 -10.524 3.141 1.00 0.00 H new ATOM 180 N CYS A 13 -1.996 -10.379 1.151 1.00 0.00 N ATOM 181 CA CYS A 13 -2.968 -10.693 0.115 1.00 0.00 C ATOM 182 C CYS A 13 -3.318 -9.451 -0.734 1.00 0.00 C ATOM 183 O CYS A 13 -3.239 -9.476 -1.967 1.00 0.00 O ATOM 184 CB CYS A 13 -4.215 -11.187 0.805 1.00 0.00 C ATOM 185 SG CYS A 13 -3.931 -12.544 1.966 1.00 0.00 S ATOM 0 H CYS A 13 -2.297 -10.667 2.082 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.551 -11.443 -0.557 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.674 -10.356 1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.930 -11.513 0.050 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.059 -12.895 2.508 1.00 0.00 H new ATOM 191 N ARG A 14 -3.654 -8.357 -0.055 1.00 0.00 N ATOM 192 CA ARG A 14 -4.052 -7.127 -0.727 1.00 0.00 C ATOM 193 C ARG A 14 -2.874 -6.498 -1.433 1.00 0.00 C ATOM 194 O ARG A 14 -3.004 -5.984 -2.539 1.00 0.00 O ATOM 195 CB ARG A 14 -4.665 -6.125 0.247 1.00 0.00 C ATOM 196 CG ARG A 14 -5.989 -6.541 0.843 1.00 0.00 C ATOM 197 CD ARG A 14 -6.523 -5.454 1.757 1.00 0.00 C ATOM 198 NE ARG A 14 -7.769 -5.815 2.442 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.784 -4.976 2.691 1.00 0.00 C ATOM 200 NH1 ARG A 14 -8.776 -3.727 2.202 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.792 -5.397 3.442 1.00 0.00 N ATOM 0 H ARG A 14 -3.658 -8.299 0.963 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.810 -7.394 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -3.958 -5.950 1.058 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.799 -5.175 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.707 -6.741 0.047 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.868 -7.468 1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.765 -5.215 2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.690 -4.550 1.172 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.871 -6.781 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.992 -3.407 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.554 -3.097 2.398 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.786 -6.345 3.819 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.574 -4.773 3.643 1.00 0.00 H new ATOM 215 N LEU A 15 -1.729 -6.569 -0.804 1.00 0.00 N ATOM 216 CA LEU A 15 -0.499 -6.026 -1.355 1.00 0.00 C ATOM 217 C LEU A 15 -0.126 -6.757 -2.633 1.00 0.00 C ATOM 218 O LEU A 15 0.166 -6.136 -3.647 1.00 0.00 O ATOM 219 CB LEU A 15 0.617 -6.163 -0.347 1.00 0.00 C ATOM 220 CG LEU A 15 0.464 -5.398 0.957 1.00 0.00 C ATOM 221 CD1 LEU A 15 1.632 -5.657 1.877 1.00 0.00 C ATOM 222 CD2 LEU A 15 0.299 -3.923 0.706 1.00 0.00 C ATOM 0 H LEU A 15 -1.616 -7.006 0.111 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.653 -4.971 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.731 -7.220 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.544 -5.842 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.440 -5.758 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.497 -5.097 2.803 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.689 -6.722 2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.555 -5.339 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.192 -3.402 1.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.175 -3.543 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.590 -3.755 0.098 1.00 0.00 H new ATOM 234 N SER A 16 -0.227 -8.078 -2.591 1.00 0.00 N ATOM 235 CA SER A 16 0.071 -8.937 -3.730 1.00 0.00 C ATOM 236 C SER A 16 -1.021 -8.790 -4.820 1.00 0.00 C ATOM 237 O SER A 16 -0.994 -9.446 -5.841 1.00 0.00 O ATOM 238 CB SER A 16 0.205 -10.403 -3.246 1.00 0.00 C ATOM 239 OG SER A 16 0.621 -11.285 -4.281 1.00 0.00 O ATOM 0 H SER A 16 -0.521 -8.589 -1.758 1.00 0.00 H new ATOM 0 HA SER A 16 1.017 -8.636 -4.179 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.922 -10.447 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.753 -10.740 -2.850 1.00 0.00 H new ATOM 0 HG SER A 16 0.214 -11.010 -5.129 1.00 0.00 H new ATOM 245 N THR A 17 -1.977 -7.937 -4.570 1.00 0.00 N ATOM 246 CA THR A 17 -2.982 -7.634 -5.525 1.00 0.00 C ATOM 247 C THR A 17 -2.735 -6.216 -6.080 1.00 0.00 C ATOM 248 O THR A 17 -2.426 -6.039 -7.263 1.00 0.00 O ATOM 249 CB THR A 17 -4.383 -7.732 -4.877 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.555 -9.048 -4.303 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.480 -7.485 -5.899 1.00 0.00 C ATOM 0 H THR A 17 -2.072 -7.434 -3.688 1.00 0.00 H new ATOM 0 HA THR A 17 -2.940 -8.352 -6.344 1.00 0.00 H new ATOM 0 HB THR A 17 -4.455 -6.969 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.071 -9.100 -3.452 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.453 -7.561 -5.414 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.363 -6.488 -6.325 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.412 -8.229 -6.693 1.00 0.00 H new ATOM 259 N TYR A 18 -2.775 -5.236 -5.193 1.00 0.00 N ATOM 260 CA TYR A 18 -2.683 -3.827 -5.562 1.00 0.00 C ATOM 261 C TYR A 18 -1.314 -3.407 -6.045 1.00 0.00 C ATOM 262 O TYR A 18 -1.203 -2.555 -6.910 1.00 0.00 O ATOM 263 CB TYR A 18 -3.193 -2.924 -4.434 1.00 0.00 C ATOM 264 CG TYR A 18 -4.688 -3.017 -4.264 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.272 -4.045 -3.534 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.519 -2.100 -4.874 1.00 0.00 C ATOM 267 CE1 TYR A 18 -6.644 -4.147 -3.416 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.883 -2.196 -4.771 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.444 -3.218 -4.041 1.00 0.00 C ATOM 270 OH TYR A 18 -8.812 -3.320 -3.961 1.00 0.00 O ATOM 0 H TYR A 18 -2.873 -5.393 -4.190 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.339 -3.701 -6.423 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.705 -3.201 -3.500 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -2.916 -1.891 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -4.642 -4.777 -3.051 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -5.087 -1.291 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.084 -4.947 -2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.515 -1.471 -5.262 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.189 -2.457 -3.689 1.00 0.00 H new ATOM 280 N LEU A 19 -0.276 -4.026 -5.547 1.00 0.00 N ATOM 281 CA LEU A 19 1.056 -3.658 -5.981 1.00 0.00 C ATOM 282 C LEU A 19 1.375 -4.252 -7.350 1.00 0.00 C ATOM 283 O LEU A 19 2.298 -3.811 -8.019 1.00 0.00 O ATOM 284 CB LEU A 19 2.120 -3.999 -4.929 1.00 0.00 C ATOM 285 CG LEU A 19 2.028 -3.215 -3.601 1.00 0.00 C ATOM 286 CD1 LEU A 19 3.063 -3.714 -2.614 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.216 -1.715 -3.841 1.00 0.00 C ATOM 0 H LEU A 19 -0.318 -4.773 -4.854 1.00 0.00 H new ATOM 0 HA LEU A 19 1.078 -2.574 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.055 -5.064 -4.706 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.104 -3.824 -5.365 1.00 0.00 H new ATOM 0 HG LEU A 19 1.035 -3.379 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.982 -3.149 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.893 -4.771 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.060 -3.581 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.147 -1.183 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.195 -1.538 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.440 -1.354 -4.516 1.00 0.00 H new ATOM 299 N GLU A 20 0.567 -5.230 -7.789 1.00 0.00 N ATOM 300 CA GLU A 20 0.738 -5.809 -9.124 1.00 0.00 C ATOM 301 C GLU A 20 -0.066 -5.007 -10.131 1.00 0.00 C ATOM 302 O GLU A 20 0.027 -5.218 -11.341 1.00 0.00 O ATOM 303 CB GLU A 20 0.318 -7.276 -9.191 1.00 0.00 C ATOM 304 CG GLU A 20 1.016 -8.167 -8.205 1.00 0.00 C ATOM 305 CD GLU A 20 0.910 -9.620 -8.556 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.209 -10.141 -8.714 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.962 -10.280 -8.650 1.00 0.00 O ATOM 0 H GLU A 20 -0.199 -5.629 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 20 1.801 -5.766 -9.359 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.757 -7.341 -9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.507 -7.650 -10.197 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.068 -7.887 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.592 -8.006 -7.214 1.00 0.00 H new ATOM 314 N GLU A 21 -0.858 -4.089 -9.620 1.00 0.00 N ATOM 315 CA GLU A 21 -1.639 -3.205 -10.451 1.00 0.00 C ATOM 316 C GLU A 21 -0.757 -2.041 -10.862 1.00 0.00 C ATOM 317 O GLU A 21 -1.056 -1.313 -11.808 1.00 0.00 O ATOM 318 CB GLU A 21 -2.858 -2.675 -9.677 1.00 0.00 C ATOM 319 CG GLU A 21 -3.838 -3.748 -9.205 1.00 0.00 C ATOM 320 CD GLU A 21 -4.554 -4.439 -10.335 1.00 0.00 C ATOM 321 OE1 GLU A 21 -3.976 -5.331 -10.968 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.726 -4.108 -10.602 1.00 0.00 O ATOM 0 H GLU A 21 -0.977 -3.936 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.997 -3.746 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.505 -2.119 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.393 -1.969 -10.311 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.298 -4.491 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.574 -3.292 -8.543 1.00 0.00 H new ATOM 329 N LEU A 22 0.350 -1.891 -10.157 1.00 0.00 N ATOM 330 CA LEU A 22 1.251 -0.793 -10.385 1.00 0.00 C ATOM 331 C LEU A 22 2.241 -1.063 -11.468 1.00 0.00 C ATOM 332 O LEU A 22 2.439 -2.193 -11.923 1.00 0.00 O ATOM 333 CB LEU A 22 1.996 -0.362 -9.123 1.00 0.00 C ATOM 334 CG LEU A 22 1.169 0.201 -7.977 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.079 0.617 -6.841 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.339 1.379 -8.441 1.00 0.00 C ATOM 0 H LEU A 22 0.642 -2.527 -9.415 1.00 0.00 H new ATOM 0 HA LEU A 22 0.603 0.024 -10.704 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.548 -1.224 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.732 0.390 -9.407 1.00 0.00 H new ATOM 0 HG LEU A 22 0.490 -0.576 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.480 1.019 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.640 -0.249 -6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.773 1.380 -7.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.244 1.765 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.997 2.162 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.335 1.059 -9.236 1.00 0.00 H new ATOM 348 N GLU A 23 2.874 -0.008 -11.832 1.00 0.00 N ATOM 349 CA GLU A 23 3.836 0.034 -12.861 1.00 0.00 C ATOM 350 C GLU A 23 5.208 0.111 -12.199 1.00 0.00 C ATOM 351 O GLU A 23 5.291 0.431 -11.012 1.00 0.00 O ATOM 352 CB GLU A 23 3.570 1.317 -13.622 1.00 0.00 C ATOM 353 CG GLU A 23 3.696 1.212 -15.096 1.00 0.00 C ATOM 354 CD GLU A 23 5.059 0.779 -15.532 1.00 0.00 C ATOM 355 OE1 GLU A 23 5.979 1.610 -15.568 1.00 0.00 O ATOM 356 OE2 GLU A 23 5.252 -0.424 -15.797 1.00 0.00 O ATOM 0 H GLU A 23 2.723 0.899 -11.391 1.00 0.00 H new ATOM 0 HA GLU A 23 3.795 -0.832 -13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.564 1.661 -13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.261 2.081 -13.267 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.958 0.502 -15.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.466 2.178 -15.545 1.00 0.00 H new ATOM 363 N ALA A 24 6.263 -0.142 -12.955 1.00 0.00 N ATOM 364 CA ALA A 24 7.632 -0.043 -12.460 1.00 0.00 C ATOM 365 C ALA A 24 7.897 1.360 -11.929 1.00 0.00 C ATOM 366 O ALA A 24 8.503 1.527 -10.873 1.00 0.00 O ATOM 367 CB ALA A 24 8.626 -0.374 -13.565 1.00 0.00 C ATOM 0 H ALA A 24 6.197 -0.423 -13.933 1.00 0.00 H new ATOM 0 HA ALA A 24 7.758 -0.762 -11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.641 -0.295 -13.177 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.451 -1.390 -13.919 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.498 0.325 -14.391 1.00 0.00 H new ATOM 373 N VAL A 25 7.412 2.367 -12.655 1.00 0.00 N ATOM 374 CA VAL A 25 7.580 3.755 -12.237 1.00 0.00 C ATOM 375 C VAL A 25 6.801 4.025 -10.930 1.00 0.00 C ATOM 376 O VAL A 25 7.275 4.712 -10.040 1.00 0.00 O ATOM 377 CB VAL A 25 7.161 4.763 -13.364 1.00 0.00 C ATOM 378 CG1 VAL A 25 5.689 4.660 -13.701 1.00 0.00 C ATOM 379 CG2 VAL A 25 7.500 6.183 -12.983 1.00 0.00 C ATOM 0 H VAL A 25 6.903 2.247 -13.530 1.00 0.00 H new ATOM 0 HA VAL A 25 8.641 3.915 -12.047 1.00 0.00 H new ATOM 0 HB VAL A 25 7.731 4.489 -14.252 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.444 5.376 -14.486 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.465 3.651 -14.048 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.096 4.879 -12.813 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.197 6.857 -13.784 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.973 6.449 -12.067 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.575 6.270 -12.822 1.00 0.00 H new ATOM 389 N GLU A 26 5.638 3.420 -10.813 1.00 0.00 N ATOM 390 CA GLU A 26 4.792 3.566 -9.645 1.00 0.00 C ATOM 391 C GLU A 26 5.453 2.917 -8.448 1.00 0.00 C ATOM 392 O GLU A 26 5.526 3.513 -7.373 1.00 0.00 O ATOM 393 CB GLU A 26 3.458 2.915 -9.910 1.00 0.00 C ATOM 394 CG GLU A 26 2.649 3.582 -10.996 1.00 0.00 C ATOM 395 CD GLU A 26 2.116 4.912 -10.573 1.00 0.00 C ATOM 396 OE1 GLU A 26 1.043 4.980 -9.993 1.00 0.00 O ATOM 397 OE2 GLU A 26 2.764 5.924 -10.830 1.00 0.00 O ATOM 0 H GLU A 26 5.249 2.808 -11.531 1.00 0.00 H new ATOM 0 HA GLU A 26 4.643 4.625 -9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.623 1.873 -10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.877 2.915 -8.988 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.270 3.708 -11.883 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.819 2.934 -11.277 1.00 0.00 H new ATOM 404 N LEU A 27 5.962 1.712 -8.660 1.00 0.00 N ATOM 405 CA LEU A 27 6.657 0.965 -7.633 1.00 0.00 C ATOM 406 C LEU A 27 7.874 1.740 -7.157 1.00 0.00 C ATOM 407 O LEU A 27 8.114 1.869 -5.957 1.00 0.00 O ATOM 408 CB LEU A 27 7.058 -0.425 -8.146 1.00 0.00 C ATOM 409 CG LEU A 27 5.900 -1.372 -8.496 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.416 -2.620 -9.189 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.123 -1.752 -7.243 1.00 0.00 C ATOM 0 H LEU A 27 5.902 1.227 -9.555 1.00 0.00 H new ATOM 0 HA LEU A 27 5.983 0.825 -6.788 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.679 -0.298 -9.033 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.678 -0.905 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 27 5.230 -0.849 -9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.579 -3.276 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.931 -2.339 -10.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.110 -3.142 -8.530 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.307 -2.423 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.789 -2.253 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.716 -0.853 -6.780 1.00 0.00 H new ATOM 423 N LYS A 28 8.602 2.295 -8.115 1.00 0.00 N ATOM 424 CA LYS A 28 9.766 3.125 -7.852 1.00 0.00 C ATOM 425 C LYS A 28 9.405 4.306 -6.956 1.00 0.00 C ATOM 426 O LYS A 28 10.078 4.582 -5.963 1.00 0.00 O ATOM 427 CB LYS A 28 10.357 3.629 -9.178 1.00 0.00 C ATOM 428 CG LYS A 28 11.532 4.584 -9.032 1.00 0.00 C ATOM 429 CD LYS A 28 12.021 5.067 -10.389 1.00 0.00 C ATOM 430 CE LYS A 28 13.177 6.048 -10.252 1.00 0.00 C ATOM 431 NZ LYS A 28 14.378 5.426 -9.651 1.00 0.00 N ATOM 0 H LYS A 28 8.398 2.180 -9.108 1.00 0.00 H new ATOM 0 HA LYS A 28 10.509 2.520 -7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.677 2.769 -9.767 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.570 4.128 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.236 5.439 -8.424 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.346 4.085 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.337 4.213 -10.988 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.200 5.544 -10.924 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.431 6.446 -11.235 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.863 6.892 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.180 6.084 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.192 5.207 -8.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.607 4.549 -10.161 1.00 0.00 H new ATOM 445 N LYS A 29 8.316 4.957 -7.286 1.00 0.00 N ATOM 446 CA LYS A 29 7.894 6.141 -6.572 1.00 0.00 C ATOM 447 C LYS A 29 7.372 5.814 -5.177 1.00 0.00 C ATOM 448 O LYS A 29 7.637 6.542 -4.226 1.00 0.00 O ATOM 449 CB LYS A 29 6.869 6.940 -7.395 1.00 0.00 C ATOM 450 CG LYS A 29 7.442 7.427 -8.729 1.00 0.00 C ATOM 451 CD LYS A 29 6.530 8.362 -9.534 1.00 0.00 C ATOM 452 CE LYS A 29 5.341 7.659 -10.183 1.00 0.00 C ATOM 453 NZ LYS A 29 4.250 7.345 -9.247 1.00 0.00 N ATOM 0 H LYS A 29 7.700 4.685 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 29 8.772 6.771 -6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.995 6.317 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.530 7.798 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.382 7.943 -8.535 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.676 6.558 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.160 9.148 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.120 8.849 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.951 8.289 -10.982 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.687 6.735 -10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.416 7.027 -9.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.555 6.591 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.007 8.195 -8.699 1.00 0.00 H new ATOM 467 N PHE A 30 6.669 4.707 -5.044 1.00 0.00 N ATOM 468 CA PHE A 30 6.111 4.336 -3.758 1.00 0.00 C ATOM 469 C PHE A 30 7.208 3.868 -2.789 1.00 0.00 C ATOM 470 O PHE A 30 7.196 4.229 -1.603 1.00 0.00 O ATOM 471 CB PHE A 30 4.938 3.311 -3.922 1.00 0.00 C ATOM 472 CG PHE A 30 5.132 1.934 -3.325 1.00 0.00 C ATOM 473 CD1 PHE A 30 5.759 0.941 -4.044 1.00 0.00 C ATOM 474 CD2 PHE A 30 4.666 1.638 -2.054 1.00 0.00 C ATOM 475 CE1 PHE A 30 5.931 -0.317 -3.515 1.00 0.00 C ATOM 476 CE2 PHE A 30 4.835 0.382 -1.518 1.00 0.00 C ATOM 477 CZ PHE A 30 5.468 -0.597 -2.248 1.00 0.00 C ATOM 0 H PHE A 30 6.472 4.054 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 30 5.670 5.223 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.043 3.748 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.740 3.192 -4.987 1.00 0.00 H new ATOM 0 HD1 PHE A 30 6.121 1.153 -5.039 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.165 2.402 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.428 -1.083 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.471 0.165 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.602 -1.583 -1.829 1.00 0.00 H new ATOM 487 N LYS A 31 8.188 3.131 -3.307 1.00 0.00 N ATOM 488 CA LYS A 31 9.257 2.605 -2.466 1.00 0.00 C ATOM 489 C LYS A 31 10.195 3.706 -2.019 1.00 0.00 C ATOM 490 O LYS A 31 10.782 3.618 -0.943 1.00 0.00 O ATOM 491 CB LYS A 31 10.053 1.489 -3.162 1.00 0.00 C ATOM 492 CG LYS A 31 10.899 1.970 -4.335 1.00 0.00 C ATOM 493 CD LYS A 31 11.753 0.870 -4.906 1.00 0.00 C ATOM 494 CE LYS A 31 12.712 1.402 -5.948 1.00 0.00 C ATOM 495 NZ LYS A 31 13.640 0.368 -6.409 1.00 0.00 N ATOM 0 H LYS A 31 8.263 2.887 -4.295 1.00 0.00 H new ATOM 0 HA LYS A 31 8.774 2.173 -1.590 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.704 1.010 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.358 0.728 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.247 2.364 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.537 2.791 -4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.314 0.389 -4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.116 0.106 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.149 1.790 -6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.275 2.237 -5.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.617 0.671 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.450 -0.520 -5.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.513 0.218 -7.430 1.00 0.00 H new ATOM 509 N LEU A 32 10.360 4.739 -2.828 1.00 0.00 N ATOM 510 CA LEU A 32 11.216 5.805 -2.418 1.00 0.00 C ATOM 511 C LEU A 32 10.519 6.634 -1.377 1.00 0.00 C ATOM 512 O LEU A 32 11.125 7.003 -0.374 1.00 0.00 O ATOM 513 CB LEU A 32 11.774 6.643 -3.612 1.00 0.00 C ATOM 514 CG LEU A 32 10.802 7.485 -4.483 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.422 8.808 -3.819 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.417 7.734 -5.843 1.00 0.00 C ATOM 0 H LEU A 32 9.922 4.849 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 32 12.108 5.374 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.523 7.324 -3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.294 5.954 -4.278 1.00 0.00 H new ATOM 0 HG LEU A 32 9.882 6.912 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.741 9.359 -4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.933 8.609 -2.866 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.321 9.401 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.731 8.325 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.355 8.276 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.608 6.781 -6.336 1.00 0.00 H new ATOM 528 N TYR A 33 9.219 6.830 -1.571 1.00 0.00 N ATOM 529 CA TYR A 33 8.427 7.639 -0.687 1.00 0.00 C ATOM 530 C TYR A 33 8.447 7.109 0.733 1.00 0.00 C ATOM 531 O TYR A 33 8.861 7.803 1.635 1.00 0.00 O ATOM 532 CB TYR A 33 6.979 7.776 -1.182 1.00 0.00 C ATOM 533 CG TYR A 33 6.152 8.669 -0.287 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.152 10.033 -0.469 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.410 8.144 0.764 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.435 10.860 0.366 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.702 8.955 1.606 1.00 0.00 C ATOM 538 CZ TYR A 33 4.715 10.315 1.406 1.00 0.00 C ATOM 539 OH TYR A 33 4.014 11.137 2.251 1.00 0.00 O ATOM 0 H TYR A 33 8.696 6.427 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 33 8.882 8.630 -0.686 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.980 8.180 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.519 6.789 -1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.723 10.461 -1.279 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.392 7.075 0.918 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.437 11.928 0.207 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.137 8.531 2.422 1.00 0.00 H new ATOM 0 HH TYR A 33 4.533 11.284 3.069 1.00 0.00 H new ATOM 549 N LEU A 34 8.013 5.884 0.922 1.00 0.00 N ATOM 550 CA LEU A 34 7.938 5.325 2.264 1.00 0.00 C ATOM 551 C LEU A 34 9.261 4.732 2.722 1.00 0.00 C ATOM 552 O LEU A 34 9.525 4.622 3.913 1.00 0.00 O ATOM 553 CB LEU A 34 6.762 4.317 2.382 1.00 0.00 C ATOM 554 CG LEU A 34 6.682 3.129 1.388 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.729 2.052 1.658 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.293 2.531 1.412 1.00 0.00 C ATOM 0 H LEU A 34 7.708 5.257 0.177 1.00 0.00 H new ATOM 0 HA LEU A 34 7.731 6.148 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.786 3.901 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.835 4.883 2.293 1.00 0.00 H new ATOM 0 HG LEU A 34 6.897 3.528 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.621 1.249 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.726 2.485 1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.589 1.652 2.662 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.244 1.697 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.068 2.174 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.565 3.290 1.125 1.00 0.00 H new ATOM 568 N GLY A 35 10.106 4.395 1.782 1.00 0.00 N ATOM 569 CA GLY A 35 11.315 3.727 2.136 1.00 0.00 C ATOM 570 C GLY A 35 12.440 4.656 2.539 1.00 0.00 C ATOM 571 O GLY A 35 13.212 4.329 3.445 1.00 0.00 O ATOM 0 H GLY A 35 9.977 4.571 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.111 3.042 2.959 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.643 3.121 1.291 1.00 0.00 H new ATOM 575 N THR A 36 12.549 5.800 1.878 1.00 0.00 N ATOM 576 CA THR A 36 13.633 6.751 2.199 1.00 0.00 C ATOM 577 C THR A 36 13.110 7.869 3.107 1.00 0.00 C ATOM 578 O THR A 36 13.852 8.789 3.491 1.00 0.00 O ATOM 579 CB THR A 36 14.268 7.388 0.914 1.00 0.00 C ATOM 580 OG1 THR A 36 13.317 8.241 0.236 1.00 0.00 O ATOM 581 CG2 THR A 36 14.733 6.304 -0.056 1.00 0.00 C ATOM 0 H THR A 36 11.922 6.098 1.131 1.00 0.00 H new ATOM 0 HA THR A 36 14.408 6.182 2.712 1.00 0.00 H new ATOM 0 HB THR A 36 15.124 7.982 1.235 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.708 7.691 -0.300 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.170 6.769 -0.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 15.480 5.677 0.430 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.882 5.691 -0.352 1.00 0.00 H new ATOM 589 N ALA A 37 11.840 7.754 3.459 1.00 0.00 N ATOM 590 CA ALA A 37 11.124 8.762 4.212 1.00 0.00 C ATOM 591 C ALA A 37 11.764 9.084 5.544 1.00 0.00 C ATOM 592 O ALA A 37 11.709 8.296 6.491 1.00 0.00 O ATOM 593 CB ALA A 37 9.696 8.332 4.430 1.00 0.00 C ATOM 0 H ALA A 37 11.270 6.941 3.223 1.00 0.00 H new ATOM 0 HA ALA A 37 11.159 9.672 3.614 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.168 9.098 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.207 8.193 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.679 7.394 4.984 1.00 0.00 H new ATOM 599 N THR A 38 12.328 10.255 5.624 1.00 0.00 N ATOM 600 CA THR A 38 12.907 10.735 6.843 1.00 0.00 C ATOM 601 C THR A 38 11.781 11.404 7.675 1.00 0.00 C ATOM 602 O THR A 38 11.919 11.713 8.866 1.00 0.00 O ATOM 603 CB THR A 38 14.051 11.705 6.518 1.00 0.00 C ATOM 604 OG1 THR A 38 14.868 11.084 5.500 1.00 0.00 O ATOM 605 CG2 THR A 38 14.916 11.960 7.746 1.00 0.00 C ATOM 0 H THR A 38 12.399 10.905 4.841 1.00 0.00 H new ATOM 0 HA THR A 38 13.336 9.923 7.430 1.00 0.00 H new ATOM 0 HB THR A 38 13.638 12.657 6.184 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.610 11.680 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.719 12.650 7.488 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.305 12.393 8.538 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.344 11.019 8.092 1.00 0.00 H new ATOM 613 N GLU A 39 10.648 11.597 7.008 1.00 0.00 N ATOM 614 CA GLU A 39 9.423 12.050 7.635 1.00 0.00 C ATOM 615 C GLU A 39 8.824 10.896 8.431 1.00 0.00 C ATOM 616 O GLU A 39 8.159 11.090 9.444 1.00 0.00 O ATOM 617 CB GLU A 39 8.412 12.522 6.567 1.00 0.00 C ATOM 618 CG GLU A 39 8.057 11.455 5.527 1.00 0.00 C ATOM 619 CD GLU A 39 6.974 11.882 4.567 1.00 0.00 C ATOM 620 OE1 GLU A 39 7.279 12.602 3.590 1.00 0.00 O ATOM 621 OE2 GLU A 39 5.810 11.474 4.749 1.00 0.00 O ATOM 0 H GLU A 39 10.559 11.440 6.004 1.00 0.00 H new ATOM 0 HA GLU A 39 9.645 12.888 8.296 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.498 12.846 7.065 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.822 13.392 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.953 11.200 4.961 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.737 10.550 6.043 1.00 0.00 H new ATOM 628 N LEU A 40 9.091 9.698 7.961 1.00 0.00 N ATOM 629 CA LEU A 40 8.581 8.491 8.553 1.00 0.00 C ATOM 630 C LEU A 40 9.501 8.086 9.689 1.00 0.00 C ATOM 631 O LEU A 40 9.056 7.634 10.742 1.00 0.00 O ATOM 632 CB LEU A 40 8.554 7.397 7.489 1.00 0.00 C ATOM 633 CG LEU A 40 7.875 6.092 7.841 1.00 0.00 C ATOM 634 CD1 LEU A 40 6.374 6.279 7.956 1.00 0.00 C ATOM 635 CD2 LEU A 40 8.202 5.047 6.807 1.00 0.00 C ATOM 0 H LEU A 40 9.679 9.537 7.143 1.00 0.00 H new ATOM 0 HA LEU A 40 7.573 8.645 8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.064 7.802 6.604 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.584 7.175 7.210 1.00 0.00 H new ATOM 0 HG LEU A 40 8.246 5.757 8.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.907 5.327 8.210 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.157 7.009 8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.978 6.635 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.709 4.110 7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.853 5.381 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.281 4.893 6.774 1.00 0.00 H new ATOM 647 N GLY A 41 10.781 8.249 9.457 1.00 0.00 N ATOM 648 CA GLY A 41 11.762 7.958 10.445 1.00 0.00 C ATOM 649 C GLY A 41 13.131 8.087 9.862 1.00 0.00 C ATOM 650 O GLY A 41 13.485 9.126 9.322 1.00 0.00 O ATOM 0 H GLY A 41 11.161 8.588 8.573 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.652 8.639 11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.615 6.948 10.828 1.00 0.00 H new ATOM 654 N GLU A 42 13.888 7.049 9.967 1.00 0.00 N ATOM 655 CA GLU A 42 15.198 6.966 9.364 1.00 0.00 C ATOM 656 C GLU A 42 14.945 6.697 7.899 1.00 0.00 C ATOM 657 O GLU A 42 15.436 7.362 6.985 1.00 0.00 O ATOM 658 CB GLU A 42 15.993 5.739 9.925 1.00 0.00 C ATOM 659 CG GLU A 42 15.700 5.312 11.383 1.00 0.00 C ATOM 660 CD GLU A 42 14.401 4.510 11.545 1.00 0.00 C ATOM 661 OE1 GLU A 42 13.312 5.102 11.591 1.00 0.00 O ATOM 662 OE2 GLU A 42 14.452 3.261 11.620 1.00 0.00 O ATOM 0 H GLU A 42 13.619 6.211 10.482 1.00 0.00 H new ATOM 0 HA GLU A 42 15.768 7.875 9.559 1.00 0.00 H new ATOM 0 HB2 GLU A 42 15.797 4.885 9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.057 5.961 9.846 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.534 4.714 11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.646 6.203 12.009 1.00 0.00 H new ATOM 669 N GLY A 43 14.127 5.732 7.759 1.00 0.00 N ATOM 670 CA GLY A 43 13.672 5.152 6.629 1.00 0.00 C ATOM 671 C GLY A 43 13.152 3.891 7.199 1.00 0.00 C ATOM 672 O GLY A 43 12.876 3.860 8.403 1.00 0.00 O ATOM 0 H GLY A 43 13.719 5.288 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.898 5.741 6.138 1.00 0.00 H new ATOM 0 HA3 GLY A 43 14.461 4.987 5.895 1.00 0.00 H new ATOM 676 N LYS A 44 13.053 2.901 6.458 1.00 0.00 N ATOM 677 CA LYS A 44 12.639 1.588 6.959 1.00 0.00 C ATOM 678 C LYS A 44 13.273 0.498 6.141 1.00 0.00 C ATOM 679 O LYS A 44 13.784 -0.474 6.673 1.00 0.00 O ATOM 680 CB LYS A 44 11.105 1.420 6.932 1.00 0.00 C ATOM 681 CG LYS A 44 10.305 2.260 7.946 1.00 0.00 C ATOM 682 CD LYS A 44 10.094 1.570 9.321 1.00 0.00 C ATOM 683 CE LYS A 44 11.365 1.441 10.184 1.00 0.00 C ATOM 684 NZ LYS A 44 11.902 2.753 10.618 1.00 0.00 N ATOM 0 H LYS A 44 13.249 2.922 5.457 1.00 0.00 H new ATOM 0 HA LYS A 44 12.971 1.517 7.995 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.752 1.666 5.931 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.874 0.368 7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.821 3.207 8.103 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.331 2.495 7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.347 2.131 9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.684 0.574 9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.142 0.837 11.063 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.130 0.910 9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.774 2.607 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.111 3.336 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.198 3.237 11.211 1.00 0.00 H new ATOM 698 N ILE A 45 13.265 0.698 4.856 1.00 0.00 N ATOM 699 CA ILE A 45 13.724 -0.294 3.908 1.00 0.00 C ATOM 700 C ILE A 45 15.255 -0.369 3.873 1.00 0.00 C ATOM 701 O ILE A 45 15.926 0.669 3.786 1.00 0.00 O ATOM 702 CB ILE A 45 13.200 0.046 2.496 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.675 0.253 2.514 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.570 -1.053 1.513 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.894 -0.973 2.899 1.00 0.00 C ATOM 0 H ILE A 45 12.937 1.562 4.424 1.00 0.00 H new ATOM 0 HA ILE A 45 13.338 -1.262 4.227 1.00 0.00 H new ATOM 0 HB ILE A 45 13.669 0.976 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.436 1.057 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.352 0.581 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.193 -0.797 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.654 -1.156 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.128 -1.995 1.837 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.828 -0.744 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.101 -1.774 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.186 -1.291 3.900 1.00 0.00 H new ATOM 717 N PRO A 46 15.825 -1.583 3.956 1.00 0.00 N ATOM 718 CA PRO A 46 17.259 -1.781 3.896 1.00 0.00 C ATOM 719 C PRO A 46 17.829 -1.479 2.503 1.00 0.00 C ATOM 720 O PRO A 46 17.405 -2.078 1.507 1.00 0.00 O ATOM 721 CB PRO A 46 17.457 -3.255 4.267 1.00 0.00 C ATOM 722 CG PRO A 46 16.157 -3.909 3.973 1.00 0.00 C ATOM 723 CD PRO A 46 15.103 -2.857 4.135 1.00 0.00 C ATOM 0 HA PRO A 46 17.786 -1.104 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.263 -3.702 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.724 -3.364 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 46 16.147 -4.315 2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.980 -4.743 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.310 -2.972 3.396 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.633 -2.913 5.117 1.00 0.00 H new ATOM 731 N TRP A 47 18.746 -0.506 2.487 1.00 0.00 N ATOM 732 CA TRP A 47 19.522 0.007 1.357 1.00 0.00 C ATOM 733 C TRP A 47 18.959 -0.247 -0.048 1.00 0.00 C ATOM 734 O TRP A 47 18.341 0.633 -0.647 1.00 0.00 O ATOM 735 CB TRP A 47 21.033 -0.342 1.497 1.00 0.00 C ATOM 736 CG TRP A 47 21.359 -1.813 1.650 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.731 -2.674 0.660 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.354 -2.580 2.865 1.00 0.00 C ATOM 739 NE1 TRP A 47 21.933 -3.924 1.174 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.717 -3.896 2.526 1.00 0.00 C ATOM 741 CE3 TRP A 47 21.077 -2.282 4.204 1.00 0.00 C ATOM 742 CZ2 TRP A 47 21.809 -4.912 3.472 1.00 0.00 C ATOM 743 CZ3 TRP A 47 21.168 -3.292 5.142 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.531 -4.591 4.772 1.00 0.00 C ATOM 0 H TRP A 47 18.985 -0.012 3.347 1.00 0.00 H new ATOM 0 HA TRP A 47 19.415 1.089 1.435 1.00 0.00 H new ATOM 0 HB2 TRP A 47 21.557 0.037 0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.431 0.191 2.361 1.00 0.00 H new ATOM 0 HD1 TRP A 47 21.849 -2.407 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.202 -4.748 0.636 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.797 -1.281 4.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.089 -5.916 3.190 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.955 -3.075 6.178 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.593 -5.358 5.530 1.00 0.00 H new ATOM 755 N GLY A 48 19.113 -1.443 -0.527 1.00 0.00 N ATOM 756 CA GLY A 48 18.745 -1.745 -1.880 1.00 0.00 C ATOM 757 C GLY A 48 17.962 -3.013 -2.022 1.00 0.00 C ATOM 758 O GLY A 48 17.906 -3.593 -3.108 1.00 0.00 O ATOM 0 H GLY A 48 19.492 -2.230 -0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.157 -0.919 -2.280 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.648 -1.817 -2.486 1.00 0.00 H new ATOM 762 N SER A 49 17.328 -3.448 -0.963 1.00 0.00 N ATOM 763 CA SER A 49 16.525 -4.650 -1.019 1.00 0.00 C ATOM 764 C SER A 49 15.293 -4.437 -1.904 1.00 0.00 C ATOM 765 O SER A 49 14.786 -5.361 -2.530 1.00 0.00 O ATOM 766 CB SER A 49 16.122 -5.045 0.379 1.00 0.00 C ATOM 767 OG SER A 49 17.273 -5.187 1.194 1.00 0.00 O ATOM 0 H SER A 49 17.350 -2.991 -0.051 1.00 0.00 H new ATOM 0 HA SER A 49 17.112 -5.455 -1.461 1.00 0.00 H new ATOM 0 HB2 SER A 49 15.458 -4.291 0.802 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.566 -5.982 0.355 1.00 0.00 H new ATOM 0 HG SER A 49 17.631 -4.301 1.411 1.00 0.00 H new ATOM 773 N MET A 50 14.870 -3.188 -2.017 1.00 0.00 N ATOM 774 CA MET A 50 13.717 -2.852 -2.829 1.00 0.00 C ATOM 775 C MET A 50 14.075 -2.629 -4.299 1.00 0.00 C ATOM 776 O MET A 50 13.242 -2.221 -5.097 1.00 0.00 O ATOM 777 CB MET A 50 12.893 -1.687 -2.239 1.00 0.00 C ATOM 778 CG MET A 50 13.678 -0.456 -1.796 1.00 0.00 C ATOM 779 SD MET A 50 14.643 0.336 -3.107 1.00 0.00 S ATOM 780 CE MET A 50 15.342 1.726 -2.212 1.00 0.00 C ATOM 0 H MET A 50 15.310 -2.392 -1.556 1.00 0.00 H new ATOM 0 HA MET A 50 13.068 -3.727 -2.804 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.161 -1.375 -2.984 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.335 -2.063 -1.381 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.981 0.274 -1.385 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.353 -0.743 -0.989 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.966 2.315 -2.884 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.537 2.350 -1.823 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.948 1.358 -1.384 1.00 0.00 H new ATOM 790 N GLU A 51 15.310 -2.917 -4.654 1.00 0.00 N ATOM 791 CA GLU A 51 15.750 -2.811 -6.037 1.00 0.00 C ATOM 792 C GLU A 51 15.351 -4.046 -6.826 1.00 0.00 C ATOM 793 O GLU A 51 14.887 -3.956 -7.961 1.00 0.00 O ATOM 794 CB GLU A 51 17.243 -2.582 -6.099 1.00 0.00 C ATOM 795 CG GLU A 51 17.652 -1.201 -5.631 1.00 0.00 C ATOM 796 CD GLU A 51 19.134 -1.010 -5.589 1.00 0.00 C ATOM 797 OE1 GLU A 51 19.828 -1.416 -6.528 1.00 0.00 O ATOM 798 OE2 GLU A 51 19.636 -0.414 -4.622 1.00 0.00 O ATOM 0 H GLU A 51 16.032 -3.228 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 51 15.256 -1.953 -6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.745 -3.330 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.585 -2.728 -7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.214 -0.455 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.241 -1.024 -4.637 1.00 0.00 H new ATOM 805 N LYS A 52 15.515 -5.193 -6.212 1.00 0.00 N ATOM 806 CA LYS A 52 15.113 -6.454 -6.830 1.00 0.00 C ATOM 807 C LYS A 52 13.640 -6.741 -6.549 1.00 0.00 C ATOM 808 O LYS A 52 13.040 -7.664 -7.107 1.00 0.00 O ATOM 809 CB LYS A 52 16.032 -7.626 -6.358 1.00 0.00 C ATOM 810 CG LYS A 52 16.172 -7.836 -4.828 1.00 0.00 C ATOM 811 CD LYS A 52 14.872 -8.302 -4.154 1.00 0.00 C ATOM 812 CE LYS A 52 15.029 -8.587 -2.663 1.00 0.00 C ATOM 813 NZ LYS A 52 15.882 -9.761 -2.392 1.00 0.00 N ATOM 0 H LYS A 52 15.924 -5.289 -5.283 1.00 0.00 H new ATOM 0 HA LYS A 52 15.233 -6.365 -7.910 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.653 -8.551 -6.794 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.028 -7.463 -6.771 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.954 -8.572 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 52 16.496 -6.902 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.107 -7.538 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.516 -9.203 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.457 -7.712 -2.174 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.045 -8.749 -2.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.899 -9.949 -1.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.500 -10.590 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 16.849 -9.572 -2.725 1.00 0.00 H new ATOM 827 N ALA A 53 13.078 -5.925 -5.693 1.00 0.00 N ATOM 828 CA ALA A 53 11.753 -6.128 -5.192 1.00 0.00 C ATOM 829 C ALA A 53 10.690 -5.728 -6.178 1.00 0.00 C ATOM 830 O ALA A 53 10.690 -4.615 -6.710 1.00 0.00 O ATOM 831 CB ALA A 53 11.563 -5.392 -3.880 1.00 0.00 C ATOM 0 H ALA A 53 13.538 -5.093 -5.324 1.00 0.00 H new ATOM 0 HA ALA A 53 11.640 -7.199 -5.024 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.550 -5.557 -3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.279 -5.764 -3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.723 -4.325 -4.035 1.00 0.00 H new ATOM 837 N GLY A 54 9.813 -6.641 -6.423 1.00 0.00 N ATOM 838 CA GLY A 54 8.682 -6.405 -7.219 1.00 0.00 C ATOM 839 C GLY A 54 7.488 -6.462 -6.328 1.00 0.00 C ATOM 840 O GLY A 54 7.660 -6.491 -5.115 1.00 0.00 O ATOM 0 H GLY A 54 9.874 -7.593 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.752 -5.432 -7.705 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.607 -7.152 -8.009 1.00 0.00 H new ATOM 844 N PRO A 55 6.282 -6.546 -6.875 1.00 0.00 N ATOM 845 CA PRO A 55 5.032 -6.557 -6.090 1.00 0.00 C ATOM 846 C PRO A 55 5.037 -7.599 -4.956 1.00 0.00 C ATOM 847 O PRO A 55 4.575 -7.326 -3.844 1.00 0.00 O ATOM 848 CB PRO A 55 3.979 -6.925 -7.121 1.00 0.00 C ATOM 849 CG PRO A 55 4.543 -6.487 -8.428 1.00 0.00 C ATOM 850 CD PRO A 55 6.028 -6.657 -8.318 1.00 0.00 C ATOM 0 HA PRO A 55 4.868 -5.601 -5.593 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.781 -7.997 -7.117 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.033 -6.426 -6.913 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.142 -7.086 -9.246 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.284 -5.449 -8.636 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.351 -7.622 -8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.562 -5.890 -8.879 1.00 0.00 H new ATOM 858 N LEU A 56 5.594 -8.763 -5.244 1.00 0.00 N ATOM 859 CA LEU A 56 5.672 -9.852 -4.279 1.00 0.00 C ATOM 860 C LEU A 56 6.615 -9.496 -3.136 1.00 0.00 C ATOM 861 O LEU A 56 6.234 -9.545 -1.958 1.00 0.00 O ATOM 862 CB LEU A 56 6.154 -11.120 -4.982 1.00 0.00 C ATOM 863 CG LEU A 56 6.338 -12.359 -4.113 1.00 0.00 C ATOM 864 CD1 LEU A 56 5.018 -12.791 -3.491 1.00 0.00 C ATOM 865 CD2 LEU A 56 6.944 -13.477 -4.937 1.00 0.00 C ATOM 0 H LEU A 56 6.005 -8.982 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 56 4.680 -10.022 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.443 -11.362 -5.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.106 -10.900 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 56 7.019 -12.117 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.178 -13.677 -2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.627 -11.985 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.302 -13.021 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.074 -14.360 -4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.282 -13.715 -5.769 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.913 -13.160 -5.323 1.00 0.00 H new ATOM 877 N GLU A 57 7.823 -9.099 -3.485 1.00 0.00 N ATOM 878 CA GLU A 57 8.830 -8.767 -2.502 1.00 0.00 C ATOM 879 C GLU A 57 8.407 -7.558 -1.705 1.00 0.00 C ATOM 880 O GLU A 57 8.612 -7.519 -0.522 1.00 0.00 O ATOM 881 CB GLU A 57 10.202 -8.509 -3.129 1.00 0.00 C ATOM 882 CG GLU A 57 10.861 -9.692 -3.829 1.00 0.00 C ATOM 883 CD GLU A 57 10.121 -10.130 -5.054 1.00 0.00 C ATOM 884 OE1 GLU A 57 9.787 -9.274 -5.885 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.891 -11.320 -5.229 1.00 0.00 O ATOM 0 H GLU A 57 8.131 -8.999 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 57 8.924 -9.632 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.101 -7.698 -3.851 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.874 -8.157 -2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.881 -9.423 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.928 -10.528 -3.133 1.00 0.00 H new ATOM 892 N MET A 58 7.790 -6.594 -2.376 1.00 0.00 N ATOM 893 CA MET A 58 7.299 -5.369 -1.737 1.00 0.00 C ATOM 894 C MET A 58 6.261 -5.693 -0.684 1.00 0.00 C ATOM 895 O MET A 58 6.298 -5.154 0.404 1.00 0.00 O ATOM 896 CB MET A 58 6.708 -4.410 -2.768 1.00 0.00 C ATOM 897 CG MET A 58 7.718 -3.822 -3.738 1.00 0.00 C ATOM 898 SD MET A 58 8.822 -2.615 -3.009 1.00 0.00 S ATOM 899 CE MET A 58 9.695 -2.086 -4.474 1.00 0.00 C ATOM 0 H MET A 58 7.613 -6.635 -3.380 1.00 0.00 H new ATOM 0 HA MET A 58 8.149 -4.883 -1.258 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.942 -4.937 -3.337 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.211 -3.594 -2.243 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.312 -4.632 -4.161 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.182 -3.355 -4.564 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.765 -2.055 -4.268 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.502 -2.787 -5.286 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.352 -1.093 -4.763 1.00 0.00 H new ATOM 909 N ALA A 59 5.361 -6.606 -0.999 1.00 0.00 N ATOM 910 CA ALA A 59 4.335 -7.017 -0.053 1.00 0.00 C ATOM 911 C ALA A 59 4.973 -7.607 1.202 1.00 0.00 C ATOM 912 O ALA A 59 4.586 -7.281 2.332 1.00 0.00 O ATOM 913 CB ALA A 59 3.403 -8.033 -0.698 1.00 0.00 C ATOM 0 H ALA A 59 5.318 -7.078 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 59 3.754 -6.140 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.639 -8.333 0.020 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.926 -7.587 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.976 -8.908 -1.006 1.00 0.00 H new ATOM 919 N GLN A 60 5.984 -8.431 1.002 1.00 0.00 N ATOM 920 CA GLN A 60 6.678 -9.052 2.113 1.00 0.00 C ATOM 921 C GLN A 60 7.549 -8.024 2.835 1.00 0.00 C ATOM 922 O GLN A 60 7.699 -8.062 4.049 1.00 0.00 O ATOM 923 CB GLN A 60 7.526 -10.232 1.640 1.00 0.00 C ATOM 924 CG GLN A 60 6.739 -11.272 0.858 1.00 0.00 C ATOM 925 CD GLN A 60 7.501 -12.578 0.630 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.307 -12.975 1.581 1.00 0.00 O flip ATOM 927 NE2 GLN A 60 7.317 -13.252 -0.384 1.00 0.00 N flip ATOM 0 H GLN A 60 6.342 -8.685 0.082 1.00 0.00 H new ATOM 0 HA GLN A 60 5.931 -9.432 2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.338 -9.858 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.984 -10.710 2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.813 -11.490 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.459 -10.852 -0.108 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.683 -12.918 -1.110 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.799 -14.144 -0.498 1.00 0.00 H new ATOM 936 N LEU A 61 8.089 -7.115 2.069 1.00 0.00 N ATOM 937 CA LEU A 61 8.940 -6.032 2.537 1.00 0.00 C ATOM 938 C LEU A 61 8.154 -5.182 3.544 1.00 0.00 C ATOM 939 O LEU A 61 8.537 -5.057 4.716 1.00 0.00 O ATOM 940 CB LEU A 61 9.316 -5.179 1.318 1.00 0.00 C ATOM 941 CG LEU A 61 10.457 -4.192 1.445 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.778 -4.924 1.561 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.468 -3.278 0.235 1.00 0.00 C ATOM 0 H LEU A 61 7.948 -7.100 1.059 1.00 0.00 H new ATOM 0 HA LEU A 61 9.838 -6.417 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.557 -5.859 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.429 -4.621 1.018 1.00 0.00 H new ATOM 0 HG LEU A 61 10.316 -3.596 2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.588 -4.200 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.763 -5.564 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.935 -5.535 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.289 -2.566 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.600 -3.873 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.523 -2.737 0.179 1.00 0.00 H new ATOM 955 N LEU A 62 7.021 -4.662 3.091 1.00 0.00 N ATOM 956 CA LEU A 62 6.134 -3.847 3.912 1.00 0.00 C ATOM 957 C LEU A 62 5.677 -4.608 5.142 1.00 0.00 C ATOM 958 O LEU A 62 5.701 -4.079 6.250 1.00 0.00 O ATOM 959 CB LEU A 62 4.890 -3.406 3.128 1.00 0.00 C ATOM 960 CG LEU A 62 4.978 -2.213 2.153 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.189 -2.264 1.270 1.00 0.00 C ATOM 962 CD2 LEU A 62 3.725 -2.170 1.308 1.00 0.00 C ATOM 0 H LEU A 62 6.689 -4.795 2.136 1.00 0.00 H new ATOM 0 HA LEU A 62 6.706 -2.968 4.211 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.544 -4.267 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.113 -3.174 3.856 1.00 0.00 H new ATOM 0 HG LEU A 62 5.069 -1.308 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.193 -1.398 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.089 -2.255 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.167 -3.176 0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.781 -1.329 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.635 -3.098 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.855 -2.052 1.954 1.00 0.00 H new ATOM 974 N ILE A 63 5.278 -5.859 4.947 1.00 0.00 N ATOM 975 CA ILE A 63 4.749 -6.668 6.042 1.00 0.00 C ATOM 976 C ILE A 63 5.826 -6.885 7.146 1.00 0.00 C ATOM 977 O ILE A 63 5.511 -6.938 8.335 1.00 0.00 O ATOM 978 CB ILE A 63 4.140 -8.027 5.498 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.841 -8.412 6.242 1.00 0.00 C ATOM 980 CG2 ILE A 63 5.143 -9.186 5.542 1.00 0.00 C ATOM 981 CD1 ILE A 63 3.007 -8.807 7.693 1.00 0.00 C ATOM 0 H ILE A 63 5.310 -6.335 4.046 1.00 0.00 H new ATOM 0 HA ILE A 63 3.929 -6.126 6.512 1.00 0.00 H new ATOM 0 HB ILE A 63 3.897 -7.846 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.152 -7.569 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.372 -9.240 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.671 -10.090 5.158 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.010 -8.940 4.929 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.462 -9.352 6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.034 -9.057 8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.665 -9.673 7.761 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.442 -7.976 8.249 1.00 0.00 H new ATOM 993 N THR A 64 7.081 -6.916 6.746 1.00 0.00 N ATOM 994 CA THR A 64 8.170 -7.128 7.669 1.00 0.00 C ATOM 995 C THR A 64 8.465 -5.855 8.484 1.00 0.00 C ATOM 996 O THR A 64 8.593 -5.909 9.711 1.00 0.00 O ATOM 997 CB THR A 64 9.435 -7.589 6.908 1.00 0.00 C ATOM 998 OG1 THR A 64 9.115 -8.768 6.154 1.00 0.00 O ATOM 999 CG2 THR A 64 10.584 -7.903 7.861 1.00 0.00 C ATOM 0 H THR A 64 7.371 -6.795 5.776 1.00 0.00 H new ATOM 0 HA THR A 64 7.874 -7.911 8.367 1.00 0.00 H new ATOM 0 HB THR A 64 9.754 -6.780 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.848 -8.513 5.246 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.454 -8.223 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.835 -7.011 8.434 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.284 -8.700 8.542 1.00 0.00 H new ATOM 1007 N HIS A 65 8.516 -4.720 7.815 1.00 0.00 N ATOM 1008 CA HIS A 65 8.883 -3.470 8.485 1.00 0.00 C ATOM 1009 C HIS A 65 7.708 -2.827 9.198 1.00 0.00 C ATOM 1010 O HIS A 65 7.821 -2.379 10.338 1.00 0.00 O ATOM 1011 CB HIS A 65 9.519 -2.467 7.508 1.00 0.00 C ATOM 1012 CG HIS A 65 10.782 -2.969 6.890 1.00 0.00 C ATOM 1013 ND1 HIS A 65 10.988 -3.515 5.677 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.001 -3.002 7.534 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.316 -3.894 5.563 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 12.882 -3.564 6.712 1.00 0.00 N flip ATOM 0 H HIS A 65 8.312 -4.628 6.820 1.00 0.00 H new ATOM 0 HA HIS A 65 9.623 -3.740 9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 65 8.804 -2.234 6.719 1.00 0.00 H new ATOM 0 HB3 HIS A 65 9.725 -1.536 8.036 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.277 -3.632 4.955 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.204 -2.636 8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.790 -4.362 4.713 1.00 0.00 H new ATOM 1024 N PHE A 66 6.596 -2.770 8.526 1.00 0.00 N ATOM 1025 CA PHE A 66 5.416 -2.125 9.053 1.00 0.00 C ATOM 1026 C PHE A 66 4.561 -3.057 9.901 1.00 0.00 C ATOM 1027 O PHE A 66 4.382 -2.829 11.099 1.00 0.00 O ATOM 1028 CB PHE A 66 4.629 -1.513 7.895 1.00 0.00 C ATOM 1029 CG PHE A 66 5.478 -0.560 7.153 1.00 0.00 C ATOM 1030 CD1 PHE A 66 5.817 0.639 7.724 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.003 -0.895 5.924 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.655 1.503 7.079 1.00 0.00 C ATOM 1033 CE2 PHE A 66 6.853 -0.045 5.271 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.182 1.157 5.848 1.00 0.00 C ATOM 0 H PHE A 66 6.475 -3.168 7.595 1.00 0.00 H new ATOM 0 HA PHE A 66 5.728 -1.333 9.734 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.281 -2.300 7.226 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.744 -1.004 8.276 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.418 0.903 8.692 1.00 0.00 H new ATOM 0 HD2 PHE A 66 5.740 -1.840 5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 66 6.905 2.453 7.528 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.262 -0.317 4.309 1.00 0.00 H new ATOM 0 HZ PHE A 66 7.853 1.833 5.340 1.00 0.00 H new ATOM 1044 N GLY A 67 4.063 -4.089 9.305 1.00 0.00 N ATOM 1045 CA GLY A 67 3.187 -4.998 9.995 1.00 0.00 C ATOM 1046 C GLY A 67 2.093 -5.405 9.067 1.00 0.00 C ATOM 1047 O GLY A 67 2.058 -4.908 7.972 1.00 0.00 O ATOM 0 H GLY A 67 4.246 -4.332 8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.741 -5.874 10.333 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.772 -4.522 10.883 1.00 0.00 H new ATOM 1051 N PRO A 68 1.180 -6.280 9.461 1.00 0.00 N ATOM 1052 CA PRO A 68 0.115 -6.756 8.567 1.00 0.00 C ATOM 1053 C PRO A 68 -0.850 -5.644 8.140 1.00 0.00 C ATOM 1054 O PRO A 68 -1.010 -5.371 6.944 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.602 -7.823 9.396 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.266 -7.499 10.814 1.00 0.00 C ATOM 1057 CD PRO A 68 1.106 -6.899 10.791 1.00 0.00 C ATOM 0 HA PRO A 68 0.518 -7.135 7.628 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.679 -7.795 9.229 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.264 -8.824 9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.989 -6.801 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.289 -8.395 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.237 -6.164 11.585 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.879 -7.656 10.926 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.442 -4.970 9.117 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.392 -3.919 8.850 1.00 0.00 C ATOM 1067 C GLU A 69 -1.658 -2.694 8.322 1.00 0.00 C ATOM 1068 O GLU A 69 -2.111 -2.001 7.403 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.087 -3.528 10.128 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.711 -4.675 10.878 1.00 0.00 C ATOM 1071 CD GLU A 69 -4.826 -5.397 10.152 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -5.863 -4.765 9.839 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.708 -6.628 9.953 1.00 0.00 O ATOM 0 H GLU A 69 -1.273 -5.141 10.108 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.116 -4.276 8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.368 -3.033 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.862 -2.798 9.896 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.930 -5.397 11.119 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.100 -4.299 11.824 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.489 -2.465 8.907 1.00 0.00 N ATOM 1081 CA GLU A 70 0.321 -1.300 8.629 1.00 0.00 C ATOM 1082 C GLU A 70 0.895 -1.341 7.206 1.00 0.00 C ATOM 1083 O GLU A 70 0.965 -0.325 6.548 1.00 0.00 O ATOM 1084 CB GLU A 70 1.426 -1.184 9.672 1.00 0.00 C ATOM 1085 CG GLU A 70 1.947 0.230 9.868 1.00 0.00 C ATOM 1086 CD GLU A 70 0.866 1.166 10.382 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.478 1.054 11.569 1.00 0.00 O ATOM 1088 OE2 GLU A 70 0.389 2.032 9.635 1.00 0.00 O ATOM 0 H GLU A 70 -0.077 -3.095 9.596 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.311 -0.414 8.688 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.052 -1.557 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.255 -1.828 9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.780 0.216 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.335 0.608 8.922 1.00 0.00 H new ATOM 1095 N ALA A 71 1.271 -2.531 6.731 1.00 0.00 N ATOM 1096 CA ALA A 71 1.790 -2.704 5.360 1.00 0.00 C ATOM 1097 C ALA A 71 0.743 -2.297 4.359 1.00 0.00 C ATOM 1098 O ALA A 71 1.031 -1.564 3.408 1.00 0.00 O ATOM 1099 CB ALA A 71 2.149 -4.150 5.122 1.00 0.00 C ATOM 0 H ALA A 71 1.228 -3.394 7.272 1.00 0.00 H new ATOM 0 HA ALA A 71 2.676 -2.080 5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.531 -4.268 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.913 -4.457 5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.262 -4.771 5.250 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.479 -2.764 4.592 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.598 -2.444 3.741 1.00 0.00 C ATOM 1107 C TRP A 72 -1.812 -0.951 3.698 1.00 0.00 C ATOM 1108 O TRP A 72 -1.923 -0.338 2.615 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.879 -3.154 4.221 1.00 0.00 C ATOM 1110 CG TRP A 72 -4.110 -2.720 3.478 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.282 -2.275 4.006 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.254 -2.648 2.064 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.151 -1.955 2.992 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.533 -2.176 1.794 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.415 -2.945 1.013 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.989 -1.998 0.506 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.861 -2.778 -0.268 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.145 -2.308 -0.515 1.00 0.00 C ATOM 0 H TRP A 72 -0.712 -3.373 5.377 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.371 -2.797 2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.754 -4.231 4.107 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.017 -2.960 5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.496 -2.187 5.061 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.103 -1.609 3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.414 -3.306 1.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.984 -1.625 0.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.209 -3.014 -1.096 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.479 -2.187 -1.535 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.831 -0.378 4.868 1.00 0.00 N ATOM 1130 CA ARG A 73 -2.041 1.019 5.028 1.00 0.00 C ATOM 1131 C ARG A 73 -0.940 1.806 4.316 1.00 0.00 C ATOM 1132 O ARG A 73 -1.229 2.702 3.537 1.00 0.00 O ATOM 1133 CB ARG A 73 -2.096 1.359 6.508 1.00 0.00 C ATOM 1134 CG ARG A 73 -2.311 2.819 6.838 1.00 0.00 C ATOM 1135 CD ARG A 73 -2.237 3.008 8.332 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.413 4.395 8.746 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.808 4.951 9.803 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.793 4.321 10.410 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -2.174 6.160 10.209 1.00 0.00 N ATOM 0 H ARG A 73 -1.698 -0.882 5.745 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.992 1.298 4.575 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.898 0.780 6.965 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.164 1.034 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.555 3.430 6.345 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.281 3.149 6.466 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.002 2.394 8.807 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.272 2.649 8.690 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.039 4.981 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.478 3.414 10.067 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.335 4.749 11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.913 6.661 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.716 6.588 11.014 1.00 0.00 H new ATOM 1153 N LEU A 74 0.304 1.424 4.560 1.00 0.00 N ATOM 1154 CA LEU A 74 1.480 2.050 3.947 1.00 0.00 C ATOM 1155 C LEU A 74 1.430 2.022 2.434 1.00 0.00 C ATOM 1156 O LEU A 74 1.834 2.979 1.793 1.00 0.00 O ATOM 1157 CB LEU A 74 2.778 1.408 4.457 1.00 0.00 C ATOM 1158 CG LEU A 74 3.541 2.154 5.567 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.210 3.403 5.016 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.630 2.516 6.731 1.00 0.00 C ATOM 0 H LEU A 74 0.535 0.661 5.197 1.00 0.00 H new ATOM 0 HA LEU A 74 1.467 3.097 4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.540 0.409 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.451 1.285 3.608 1.00 0.00 H new ATOM 0 HG LEU A 74 4.310 1.478 5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.743 3.914 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.914 3.123 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.453 4.069 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.205 3.041 7.494 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.825 3.160 6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.206 1.607 7.158 1.00 0.00 H new ATOM 1172 N ALA A 75 0.920 0.953 1.865 1.00 0.00 N ATOM 1173 CA ALA A 75 0.818 0.867 0.426 1.00 0.00 C ATOM 1174 C ALA A 75 -0.203 1.857 -0.096 1.00 0.00 C ATOM 1175 O ALA A 75 0.141 2.766 -0.853 1.00 0.00 O ATOM 1176 CB ALA A 75 0.453 -0.530 -0.017 1.00 0.00 C ATOM 0 H ALA A 75 0.572 0.138 2.371 1.00 0.00 H new ATOM 0 HA ALA A 75 1.796 1.112 0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.384 -0.561 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.219 -1.230 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.508 -0.809 0.415 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.445 1.729 0.368 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.538 2.549 -0.147 1.00 0.00 C ATOM 1184 C LEU A 76 -2.312 4.034 0.113 1.00 0.00 C ATOM 1185 O LEU A 76 -2.540 4.859 -0.758 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.931 2.048 0.356 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.285 2.215 1.854 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.814 3.607 2.160 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.293 1.192 2.278 1.00 0.00 C ATOM 0 H LEU A 76 -1.718 1.069 1.096 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.545 2.431 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.697 2.563 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.008 0.988 0.114 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.363 2.070 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.050 3.681 3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.057 4.348 1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.715 3.791 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.527 1.328 3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.201 1.309 1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.885 0.193 2.122 1.00 0.00 H new ATOM 1201 N SER A 77 -1.778 4.353 1.270 1.00 0.00 N ATOM 1202 CA SER A 77 -1.578 5.730 1.667 1.00 0.00 C ATOM 1203 C SER A 77 -0.447 6.373 0.867 1.00 0.00 C ATOM 1204 O SER A 77 -0.346 7.592 0.785 1.00 0.00 O ATOM 1205 CB SER A 77 -1.306 5.785 3.167 1.00 0.00 C ATOM 1206 OG SER A 77 -0.104 5.089 3.495 1.00 0.00 O ATOM 0 H SER A 77 -1.471 3.669 1.961 1.00 0.00 H new ATOM 0 HA SER A 77 -2.481 6.302 1.453 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.228 6.824 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.144 5.346 3.708 1.00 0.00 H new ATOM 0 HG SER A 77 -0.291 4.130 3.568 1.00 0.00 H new ATOM 1212 N THR A 78 0.388 5.549 0.269 1.00 0.00 N ATOM 1213 CA THR A 78 1.456 6.028 -0.542 1.00 0.00 C ATOM 1214 C THR A 78 0.999 6.105 -2.000 1.00 0.00 C ATOM 1215 O THR A 78 1.538 6.891 -2.785 1.00 0.00 O ATOM 1216 CB THR A 78 2.704 5.144 -0.365 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.064 5.161 1.025 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.880 5.651 -1.184 1.00 0.00 C ATOM 0 H THR A 78 0.335 4.533 0.339 1.00 0.00 H new ATOM 0 HA THR A 78 1.734 7.034 -0.228 1.00 0.00 H new ATOM 0 HB THR A 78 2.470 4.137 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.545 4.483 1.506 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.739 4.998 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.613 5.655 -2.241 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.133 6.664 -0.870 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.047 5.339 -2.337 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.614 5.373 -3.672 1.00 0.00 C ATOM 1228 C PHE A 79 -1.081 6.791 -3.992 1.00 0.00 C ATOM 1229 O PHE A 79 -0.681 7.369 -4.988 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.800 4.398 -3.837 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.475 2.933 -3.762 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.197 2.459 -4.007 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.465 2.024 -3.430 1.00 0.00 C ATOM 1234 CE1 PHE A 79 0.079 1.116 -3.921 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.194 0.678 -3.343 1.00 0.00 C ATOM 1236 CZ PHE A 79 -0.919 0.221 -3.589 1.00 0.00 C ATOM 0 H PHE A 79 -0.510 4.693 -1.698 1.00 0.00 H new ATOM 0 HA PHE A 79 0.168 5.059 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.538 4.624 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.273 4.594 -4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.590 3.151 -4.268 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.467 2.377 -3.236 1.00 0.00 H new ATOM 0 HE1 PHE A 79 1.080 0.759 -4.114 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.978 -0.017 -3.083 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.700 -0.834 -3.523 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.874 7.370 -3.100 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.396 8.733 -3.295 1.00 0.00 C ATOM 1248 C GLU A 80 -1.244 9.758 -3.415 1.00 0.00 C ATOM 1249 O GLU A 80 -1.296 10.688 -4.231 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.325 9.133 -2.142 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.651 9.095 -0.791 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.419 9.803 0.276 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -3.680 11.006 0.122 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.729 9.195 1.302 1.00 0.00 O ATOM 0 H GLU A 80 -2.174 6.925 -2.233 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.965 8.735 -4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.705 10.139 -2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.186 8.465 -2.130 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.506 8.056 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.661 9.544 -0.874 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.191 9.526 -2.636 1.00 0.00 N ATOM 1262 CA ARG A 81 0.979 10.390 -2.586 1.00 0.00 C ATOM 1263 C ARG A 81 1.694 10.405 -3.916 1.00 0.00 C ATOM 1264 O ARG A 81 2.119 11.450 -4.394 1.00 0.00 O ATOM 1265 CB ARG A 81 1.930 9.897 -1.507 1.00 0.00 C ATOM 1266 CG ARG A 81 1.375 9.963 -0.093 1.00 0.00 C ATOM 1267 CD ARG A 81 1.409 11.362 0.507 1.00 0.00 C ATOM 1268 NE ARG A 81 0.588 12.354 -0.189 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.875 13.663 -0.229 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.975 14.132 0.380 1.00 0.00 N ATOM 1271 NH2 ARG A 81 0.053 14.490 -0.849 1.00 0.00 N ATOM 0 H ARG A 81 -0.128 8.720 -2.014 1.00 0.00 H new ATOM 0 HA ARG A 81 0.650 11.403 -2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.204 8.865 -1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.846 10.487 -1.551 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.346 9.603 -0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.946 9.288 0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.080 11.304 1.545 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.442 11.711 0.519 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.251 12.031 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.596 13.492 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.190 15.128 0.348 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.793 14.131 -1.293 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.264 15.487 -0.884 1.00 0.00 H new ATOM 1285 N ILE A 82 1.786 9.249 -4.533 1.00 0.00 N ATOM 1286 CA ILE A 82 2.480 9.118 -5.795 1.00 0.00 C ATOM 1287 C ILE A 82 1.538 9.328 -6.984 1.00 0.00 C ATOM 1288 O ILE A 82 1.843 8.901 -8.100 1.00 0.00 O ATOM 1289 CB ILE A 82 3.214 7.752 -5.920 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.218 6.579 -5.875 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.242 7.628 -4.797 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.822 5.229 -6.159 1.00 0.00 C ATOM 0 H ILE A 82 1.386 8.380 -4.179 1.00 0.00 H new ATOM 0 HA ILE A 82 3.234 9.905 -5.814 1.00 0.00 H new ATOM 0 HB ILE A 82 3.722 7.712 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.752 6.553 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.424 6.766 -6.598 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.759 6.672 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.965 8.440 -4.875 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.736 7.684 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.047 4.465 -6.105 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.262 5.230 -7.156 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.595 5.014 -5.421 1.00 0.00 H new ATOM 1304 N ASN A 83 0.406 10.003 -6.731 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.593 10.387 -7.763 1.00 0.00 C ATOM 1306 C ASN A 83 -1.308 9.158 -8.320 1.00 0.00 C ATOM 1307 O ASN A 83 -1.798 9.134 -9.438 1.00 0.00 O ATOM 1308 CB ASN A 83 0.065 11.235 -8.884 1.00 0.00 C ATOM 1309 CG ASN A 83 -0.921 11.903 -9.857 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -2.058 12.349 -9.367 1.00 0.00 O flip ATOM 1311 ND2 ASN A 83 -0.612 12.072 -11.044 1.00 0.00 N flip ATOM 0 H ASN A 83 0.147 10.306 -5.792 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.351 11.011 -7.289 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.677 12.010 -8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.738 10.596 -9.455 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.276 11.715 -11.396 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.246 12.568 -11.670 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.390 8.162 -7.505 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.077 6.949 -7.818 1.00 0.00 C ATOM 1320 C ARG A 84 -3.305 6.874 -6.906 1.00 0.00 C ATOM 1321 O ARG A 84 -3.510 5.932 -6.144 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.097 5.771 -7.636 1.00 0.00 C ATOM 1323 CG ARG A 84 -1.640 4.377 -7.928 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.404 4.329 -9.233 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.623 4.834 -10.374 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.154 5.205 -11.553 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.432 4.928 -11.826 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.398 5.801 -12.468 1.00 0.00 N ATOM 0 H ARG A 84 -0.970 8.166 -6.575 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.425 6.908 -8.850 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.235 5.942 -8.281 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.734 5.786 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.814 3.667 -7.965 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.293 4.064 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.707 3.301 -9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.317 4.917 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.612 4.908 -10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.005 4.435 -11.141 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.835 5.209 -12.720 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.412 5.979 -12.278 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.804 6.081 -13.361 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.142 7.878 -7.037 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.287 8.054 -6.182 1.00 0.00 C ATOM 1344 C LYS A 85 -6.380 7.094 -6.611 1.00 0.00 C ATOM 1345 O LYS A 85 -7.228 6.709 -5.821 1.00 0.00 O ATOM 1346 CB LYS A 85 -5.774 9.514 -6.256 1.00 0.00 C ATOM 1347 CG LYS A 85 -6.881 9.859 -5.265 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.329 11.313 -5.367 1.00 0.00 C ATOM 1349 CE LYS A 85 -8.100 11.593 -6.650 1.00 0.00 C ATOM 1350 NZ LYS A 85 -9.407 10.892 -6.691 1.00 0.00 N ATOM 0 H LYS A 85 -4.043 8.602 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.017 7.839 -5.148 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.926 10.176 -6.081 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.132 9.714 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.736 9.206 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.531 9.661 -4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.955 11.559 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.456 11.964 -5.321 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.264 12.666 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.499 11.285 -7.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.971 11.255 -7.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.250 9.872 -6.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -9.918 11.057 -5.800 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.300 6.669 -7.858 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.266 5.751 -8.441 1.00 0.00 C ATOM 1366 C ASP A 86 -7.257 4.425 -7.683 1.00 0.00 C ATOM 1367 O ASP A 86 -8.280 3.951 -7.195 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.939 5.512 -9.924 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.890 4.544 -10.627 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -7.721 3.311 -10.496 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -8.793 5.004 -11.361 1.00 0.00 O ATOM 0 H ASP A 86 -5.560 6.951 -8.500 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.260 6.193 -8.365 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -6.959 6.468 -10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.922 5.127 -10.003 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.070 3.874 -7.536 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.879 2.602 -6.872 1.00 0.00 C ATOM 1378 C LEU A 87 -6.051 2.778 -5.369 1.00 0.00 C ATOM 1379 O LEU A 87 -6.397 1.848 -4.663 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.486 2.089 -7.170 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.210 0.647 -6.854 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -5.049 -0.252 -7.740 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -2.748 0.361 -7.040 1.00 0.00 C ATOM 0 H LEU A 87 -5.207 4.298 -7.875 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.617 1.886 -7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.285 2.248 -8.229 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.774 2.700 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.477 0.448 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.840 -1.295 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.106 -0.046 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.805 -0.063 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.550 -0.686 -6.810 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.466 0.565 -8.073 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.165 0.996 -6.372 1.00 0.00 H new ATOM 1395 N TRP A 88 -5.805 3.980 -4.905 1.00 0.00 N ATOM 1396 CA TRP A 88 -5.984 4.336 -3.516 1.00 0.00 C ATOM 1397 C TRP A 88 -7.467 4.222 -3.132 1.00 0.00 C ATOM 1398 O TRP A 88 -7.811 3.591 -2.122 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.448 5.747 -3.302 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.786 6.359 -1.975 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.232 6.080 -0.770 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.764 7.366 -1.737 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.804 6.856 0.201 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.746 7.654 -0.371 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.647 8.051 -2.553 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.583 8.601 0.195 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.476 8.989 -1.994 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.440 9.256 -0.635 1.00 0.00 C ATOM 0 H TRP A 88 -5.471 4.748 -5.487 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.431 3.653 -2.871 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.364 5.728 -3.411 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -5.836 6.391 -4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.453 5.352 -0.601 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.563 6.839 1.192 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.683 7.850 -3.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.557 8.812 1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.168 9.529 -2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.107 10.000 -0.225 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.329 4.805 -3.969 1.00 0.00 N ATOM 1420 CA GLU A 89 -9.787 4.737 -3.797 1.00 0.00 C ATOM 1421 C GLU A 89 -10.273 3.287 -3.848 1.00 0.00 C ATOM 1422 O GLU A 89 -11.251 2.916 -3.195 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.490 5.545 -4.891 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.255 7.046 -4.835 1.00 0.00 C ATOM 1425 CD GLU A 89 -10.931 7.778 -5.968 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.177 7.845 -5.991 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.229 8.309 -6.869 1.00 0.00 O ATOM 0 H GLU A 89 -8.037 5.339 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.030 5.158 -2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.159 5.177 -5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.562 5.358 -4.827 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.623 7.433 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.184 7.244 -4.866 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.590 2.489 -4.647 1.00 0.00 N ATOM 1435 CA ARG A 90 -9.878 1.067 -4.777 1.00 0.00 C ATOM 1436 C ARG A 90 -9.410 0.301 -3.539 1.00 0.00 C ATOM 1437 O ARG A 90 -10.039 -0.670 -3.125 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.174 0.491 -6.010 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.700 0.995 -7.341 1.00 0.00 C ATOM 1440 CD ARG A 90 -8.871 0.467 -8.506 1.00 0.00 C ATOM 1441 NE ARG A 90 -8.719 -0.997 -8.487 1.00 0.00 N ATOM 1442 CZ ARG A 90 -7.937 -1.700 -9.326 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.368 -1.103 -10.373 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -7.768 -3.006 -9.137 1.00 0.00 N ATOM 0 H ARG A 90 -8.815 2.808 -5.229 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.957 0.956 -4.882 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.111 0.723 -5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.265 -0.595 -5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.738 0.687 -7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.688 2.085 -7.349 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.340 0.766 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -7.884 0.930 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.246 -1.517 -7.785 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.525 -0.109 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.776 -1.640 -11.007 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.231 -3.473 -8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.175 -3.541 -9.772 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.307 0.764 -2.974 1.00 0.00 N ATOM 1459 CA GLY A 91 -7.659 0.114 -1.862 1.00 0.00 C ATOM 1460 C GLY A 91 -8.391 0.239 -0.554 1.00 0.00 C ATOM 1461 O GLY A 91 -8.743 -0.778 0.058 1.00 0.00 O ATOM 0 H GLY A 91 -7.835 1.614 -3.284 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.537 -0.944 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.659 0.532 -1.746 1.00 0.00 H new