USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=10 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 Set 1.1: A 18 LYS NZ :NH3+ 143:sc= -3.57! (180deg=-6.37!) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 34:sc= -2.69! USER MOD Single : A 15 ASN : amide:sc=-0.00874 K(o=-0.0087,f=-0.74) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 30 SER OG : rot 180:sc= -0.333 USER MOD Single : A 36 HIS : no HD1:sc=-0.00342 X(o=-0.0034,f=-0.14) USER MOD Single : A 37 THR OG1 : rot 71:sc= 1.31 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -4.75! K(o=-4.8!,f=-1.5) USER MOD Single : A 69 GLN : amide:sc= -2.72! C(o=-2.7!,f=-6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : B 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 11 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 131 N ALA A 10 -6.847 7.656 -4.124 1.00 0.00 N ATOM 132 CA ALA A 10 -6.127 6.780 -3.214 1.00 0.00 C ATOM 133 C ALA A 10 -6.937 6.537 -1.944 1.00 0.00 C ATOM 134 O ALA A 10 -7.002 5.413 -1.439 1.00 0.00 O ATOM 135 CB ALA A 10 -4.774 7.384 -2.873 1.00 0.00 C ATOM 0 HA ALA A 10 -5.971 5.820 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.241 6.721 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.191 7.510 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.918 8.354 -2.398 1.00 0.00 H new ATOM 141 N ILE A 11 -7.553 7.603 -1.432 1.00 0.00 N ATOM 142 CA ILE A 11 -8.356 7.515 -0.217 1.00 0.00 C ATOM 143 C ILE A 11 -9.417 6.429 -0.332 1.00 0.00 C ATOM 144 O ILE A 11 -9.629 5.661 0.602 1.00 0.00 O ATOM 145 CB ILE A 11 -9.068 8.843 0.098 1.00 0.00 C ATOM 146 CG1 ILE A 11 -8.068 10.002 0.169 1.00 0.00 C ATOM 147 CG2 ILE A 11 -9.844 8.722 1.400 1.00 0.00 C ATOM 148 CD1 ILE A 11 -7.015 9.850 1.247 1.00 0.00 C ATOM 0 H ILE A 11 -7.510 8.536 -1.841 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.660 7.275 0.587 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.768 9.058 -0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.572 10.098 -0.797 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.615 10.929 0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.344 9.666 1.615 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.587 7.930 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.157 8.483 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.348 10.712 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.499 9.786 2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.439 8.942 1.067 1.00 0.00 H new ATOM 160 N SER A 12 -10.088 6.380 -1.476 1.00 0.00 N ATOM 161 CA SER A 12 -11.136 5.394 -1.703 1.00 0.00 C ATOM 162 C SER A 12 -10.606 3.978 -1.507 1.00 0.00 C ATOM 163 O SER A 12 -11.318 3.106 -1.009 1.00 0.00 O ATOM 164 CB SER A 12 -11.720 5.545 -3.109 1.00 0.00 C ATOM 165 OG SER A 12 -10.736 5.304 -4.099 1.00 0.00 O ATOM 0 H SER A 12 -9.925 7.011 -2.260 1.00 0.00 H new ATOM 0 HA SER A 12 -11.925 5.570 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.549 4.849 -3.239 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.125 6.549 -3.232 1.00 0.00 H new ATOM 0 HG SER A 12 -11.135 5.405 -4.988 1.00 0.00 H new ATOM 171 N TYR A 13 -9.356 3.749 -1.903 1.00 0.00 N ATOM 172 CA TYR A 13 -8.748 2.431 -1.764 1.00 0.00 C ATOM 173 C TYR A 13 -8.557 2.074 -0.294 1.00 0.00 C ATOM 174 O TYR A 13 -9.028 1.038 0.170 1.00 0.00 O ATOM 175 CB TYR A 13 -7.397 2.385 -2.482 1.00 0.00 C ATOM 176 CG TYR A 13 -6.786 1.003 -2.520 1.00 0.00 C ATOM 177 CD1 TYR A 13 -7.498 -0.076 -3.030 1.00 0.00 C ATOM 178 CD2 TYR A 13 -5.504 0.773 -2.040 1.00 0.00 C ATOM 179 CE1 TYR A 13 -6.950 -1.343 -3.062 1.00 0.00 C ATOM 180 CE2 TYR A 13 -4.947 -0.492 -2.069 1.00 0.00 C ATOM 181 CZ TYR A 13 -5.674 -1.546 -2.579 1.00 0.00 C ATOM 182 OH TYR A 13 -5.126 -2.808 -2.605 1.00 0.00 O ATOM 0 H TYR A 13 -8.749 4.455 -2.320 1.00 0.00 H new ATOM 0 HA TYR A 13 -9.420 1.703 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.523 2.747 -3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.706 3.066 -1.985 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -8.498 0.079 -3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -4.932 1.596 -1.637 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -7.517 -2.170 -3.463 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.947 -0.653 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.451 -3.290 -3.394 1.00 0.00 H new ATOM 192 N VAL A 14 -7.858 2.944 0.428 1.00 0.00 N ATOM 193 CA VAL A 14 -7.592 2.731 1.849 1.00 0.00 C ATOM 194 C VAL A 14 -8.888 2.636 2.647 1.00 0.00 C ATOM 195 O VAL A 14 -9.044 1.771 3.509 1.00 0.00 O ATOM 196 CB VAL A 14 -6.735 3.875 2.422 1.00 0.00 C ATOM 197 CG1 VAL A 14 -6.338 3.583 3.860 1.00 0.00 C ATOM 198 CG2 VAL A 14 -5.507 4.103 1.555 1.00 0.00 C ATOM 0 H VAL A 14 -7.464 3.806 0.052 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.050 1.789 1.937 1.00 0.00 H new ATOM 0 HB VAL A 14 -7.331 4.788 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.733 4.404 4.244 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.235 3.476 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.761 2.659 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.912 4.915 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.909 3.192 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.819 4.366 0.544 1.00 0.00 H new ATOM 208 N ASN A 15 -9.808 3.542 2.352 1.00 0.00 N ATOM 209 CA ASN A 15 -11.099 3.597 3.027 1.00 0.00 C ATOM 210 C ASN A 15 -11.874 2.307 2.823 1.00 0.00 C ATOM 211 O ASN A 15 -12.308 1.669 3.781 1.00 0.00 O ATOM 212 CB ASN A 15 -11.893 4.771 2.477 1.00 0.00 C ATOM 213 CG ASN A 15 -13.071 5.155 3.348 1.00 0.00 C ATOM 214 OD1 ASN A 15 -12.988 5.128 4.576 1.00 0.00 O ATOM 215 ND2 ASN A 15 -14.162 5.557 2.710 1.00 0.00 N ATOM 0 H ASN A 15 -9.682 4.260 1.639 1.00 0.00 H new ATOM 0 HA ASN A 15 -10.935 3.725 4.097 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.232 5.631 2.372 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -12.253 4.522 1.479 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.979 5.861 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.184 5.562 1.690 1.00 0.00 H new ATOM 222 N LYS A 16 -12.038 1.929 1.563 1.00 0.00 N ATOM 223 CA LYS A 16 -12.755 0.702 1.222 1.00 0.00 C ATOM 224 C LYS A 16 -12.152 -0.477 1.972 1.00 0.00 C ATOM 225 O LYS A 16 -12.866 -1.360 2.444 1.00 0.00 O ATOM 226 CB LYS A 16 -12.700 0.441 -0.285 1.00 0.00 C ATOM 227 CG LYS A 16 -13.507 -0.773 -0.719 1.00 0.00 C ATOM 228 CD LYS A 16 -13.354 -1.044 -2.206 1.00 0.00 C ATOM 229 CE LYS A 16 -14.195 -2.232 -2.642 1.00 0.00 C ATOM 230 NZ LYS A 16 -14.045 -2.518 -4.096 1.00 0.00 N ATOM 0 H LYS A 16 -11.687 2.451 0.760 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.798 0.821 1.514 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -13.070 1.321 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.661 0.303 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -13.183 -1.647 -0.154 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -14.559 -0.614 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.650 -0.160 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.306 -1.234 -2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -13.905 -3.112 -2.068 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.243 -2.036 -2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.635 -3.335 -4.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -14.346 -1.688 -4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.049 -2.731 -4.307 1.00 0.00 H new ATOM 244 N ILE A 17 -10.830 -0.471 2.092 1.00 0.00 N ATOM 245 CA ILE A 17 -10.125 -1.525 2.807 1.00 0.00 C ATOM 246 C ILE A 17 -10.573 -1.550 4.263 1.00 0.00 C ATOM 247 O ILE A 17 -10.699 -2.612 4.873 1.00 0.00 O ATOM 248 CB ILE A 17 -8.596 -1.324 2.736 1.00 0.00 C ATOM 249 CG1 ILE A 17 -8.101 -1.519 1.299 1.00 0.00 C ATOM 250 CG2 ILE A 17 -7.882 -2.278 3.684 1.00 0.00 C ATOM 251 CD1 ILE A 17 -6.636 -1.189 1.109 1.00 0.00 C ATOM 0 H ILE A 17 -10.225 0.253 1.703 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.366 -2.476 2.332 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.367 -0.305 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.272 -2.554 1.003 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.694 -0.894 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.806 -2.119 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.214 -2.092 4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.115 -3.307 3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.359 -1.351 0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.461 -0.146 1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.032 -1.832 1.749 1.00 0.00 H new ATOM 263 N LYS A 18 -10.820 -0.363 4.809 1.00 0.00 N ATOM 264 CA LYS A 18 -11.264 -0.224 6.189 1.00 0.00 C ATOM 265 C LYS A 18 -12.641 -0.853 6.382 1.00 0.00 C ATOM 266 O LYS A 18 -12.845 -1.663 7.286 1.00 0.00 O ATOM 267 CB LYS A 18 -11.327 1.256 6.576 1.00 0.00 C ATOM 268 CG LYS A 18 -11.643 1.485 8.046 1.00 0.00 C ATOM 269 CD LYS A 18 -11.794 2.966 8.376 1.00 0.00 C ATOM 270 CE LYS A 18 -10.469 3.711 8.298 1.00 0.00 C ATOM 271 NZ LYS A 18 -9.935 3.772 6.910 1.00 0.00 N ATOM 0 H LYS A 18 -10.719 0.521 4.311 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.547 -0.740 6.827 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.372 1.726 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.085 1.751 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.563 0.961 8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.849 1.057 8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.505 3.420 7.685 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.210 3.073 9.378 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.601 4.724 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.741 3.221 8.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.479 4.693 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.238 3.013 6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.715 3.653 6.232 1.00 0.00 H new ATOM 285 N THR A 19 -13.583 -0.461 5.528 1.00 0.00 N ATOM 286 CA THR A 19 -14.951 -0.965 5.600 1.00 0.00 C ATOM 287 C THR A 19 -15.023 -2.447 5.253 1.00 0.00 C ATOM 288 O THR A 19 -15.902 -3.163 5.733 1.00 0.00 O ATOM 289 CB THR A 19 -15.892 -0.180 4.661 1.00 0.00 C ATOM 290 OG1 THR A 19 -17.251 -0.559 4.905 1.00 0.00 O ATOM 291 CG2 THR A 19 -15.550 -0.439 3.201 1.00 0.00 C ATOM 0 H THR A 19 -13.422 0.208 4.775 1.00 0.00 H new ATOM 0 HA THR A 19 -15.277 -0.827 6.631 1.00 0.00 H new ATOM 0 HB THR A 19 -15.763 0.883 4.865 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.843 -0.056 4.307 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.229 0.127 2.562 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.524 -0.127 3.007 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.652 -1.503 2.987 1.00 0.00 H new ATOM 299 N ARG A 20 -14.106 -2.901 4.411 1.00 0.00 N ATOM 300 CA ARG A 20 -14.081 -4.296 4.002 1.00 0.00 C ATOM 301 C ARG A 20 -13.789 -5.205 5.189 1.00 0.00 C ATOM 302 O ARG A 20 -14.608 -6.048 5.558 1.00 0.00 O ATOM 303 CB ARG A 20 -13.032 -4.505 2.907 1.00 0.00 C ATOM 304 CG ARG A 20 -12.956 -5.938 2.406 1.00 0.00 C ATOM 305 CD ARG A 20 -14.321 -6.442 1.979 1.00 0.00 C ATOM 306 NE ARG A 20 -14.278 -7.823 1.504 1.00 0.00 N ATOM 307 CZ ARG A 20 -15.340 -8.479 1.049 1.00 0.00 C ATOM 308 NH1 ARG A 20 -16.523 -7.878 0.997 1.00 0.00 N ATOM 309 NH2 ARG A 20 -15.222 -9.735 0.641 1.00 0.00 N ATOM 0 H ARG A 20 -13.372 -2.325 3.999 1.00 0.00 H new ATOM 0 HA ARG A 20 -15.064 -4.555 3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -13.258 -3.847 2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.055 -4.210 3.290 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.265 -5.996 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.558 -6.580 3.191 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.012 -6.370 2.819 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.712 -5.800 1.189 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.382 -8.311 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -16.618 -6.911 1.307 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -17.337 -8.384 0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.315 -10.200 0.676 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -16.039 -10.237 0.292 1.00 0.00 H new ATOM 323 N PHE A 21 -12.615 -5.028 5.779 1.00 0.00 N ATOM 324 CA PHE A 21 -12.203 -5.832 6.923 1.00 0.00 C ATOM 325 C PHE A 21 -12.521 -5.140 8.249 1.00 0.00 C ATOM 326 O PHE A 21 -11.690 -5.121 9.157 1.00 0.00 O ATOM 327 CB PHE A 21 -10.705 -6.132 6.849 1.00 0.00 C ATOM 328 CG PHE A 21 -10.289 -6.883 5.615 1.00 0.00 C ATOM 329 CD1 PHE A 21 -10.172 -6.235 4.397 1.00 0.00 C ATOM 330 CD2 PHE A 21 -10.012 -8.238 5.678 1.00 0.00 C ATOM 331 CE1 PHE A 21 -9.783 -6.925 3.264 1.00 0.00 C ATOM 332 CE2 PHE A 21 -9.622 -8.934 4.551 1.00 0.00 C ATOM 333 CZ PHE A 21 -9.506 -8.277 3.342 1.00 0.00 C ATOM 0 H PHE A 21 -11.929 -4.333 5.484 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.767 -6.764 6.884 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.155 -5.192 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.417 -6.710 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.387 -5.179 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.102 -8.757 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.696 -6.409 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.408 -9.991 4.615 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.199 -8.818 2.459 1.00 0.00 H new ATOM 343 N LEU A 22 -13.723 -4.579 8.364 1.00 0.00 N ATOM 344 CA LEU A 22 -14.133 -3.902 9.593 1.00 0.00 C ATOM 345 C LEU A 22 -13.958 -4.813 10.806 1.00 0.00 C ATOM 346 O LEU A 22 -13.601 -4.357 11.893 1.00 0.00 O ATOM 347 CB LEU A 22 -15.591 -3.449 9.497 1.00 0.00 C ATOM 348 CG LEU A 22 -15.851 -2.268 8.562 1.00 0.00 C ATOM 349 CD1 LEU A 22 -17.344 -2.038 8.402 1.00 0.00 C ATOM 350 CD2 LEU A 22 -15.173 -1.012 9.088 1.00 0.00 C ATOM 0 H LEU A 22 -14.427 -4.579 7.626 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.494 -3.028 9.718 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -16.195 -4.293 9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -15.937 -3.183 10.496 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.430 -2.503 7.584 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.512 -1.194 7.733 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -17.807 -2.931 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -17.785 -1.824 9.375 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -15.369 -0.182 8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.565 -0.773 10.077 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -14.098 -1.180 9.155 1.00 0.00 H new ATOM 362 N ASP A 23 -14.212 -6.102 10.608 1.00 0.00 N ATOM 363 CA ASP A 23 -14.086 -7.083 11.680 1.00 0.00 C ATOM 364 C ASP A 23 -12.622 -7.395 11.969 1.00 0.00 C ATOM 365 O ASP A 23 -12.245 -7.628 13.117 1.00 0.00 O ATOM 366 CB ASP A 23 -14.831 -8.366 11.317 1.00 0.00 C ATOM 367 CG ASP A 23 -16.310 -8.132 11.070 1.00 0.00 C ATOM 368 OD1 ASP A 23 -16.760 -6.973 11.198 1.00 0.00 O ATOM 369 OD2 ASP A 23 -17.018 -9.109 10.749 1.00 0.00 O ATOM 0 H ASP A 23 -14.507 -6.493 9.713 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.529 -6.656 12.579 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.382 -8.802 10.425 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.711 -9.091 12.122 1.00 0.00 H new ATOM 374 N HIS A 24 -11.805 -7.412 10.916 1.00 0.00 N ATOM 375 CA HIS A 24 -10.389 -7.702 11.040 1.00 0.00 C ATOM 376 C HIS A 24 -9.543 -6.435 10.874 1.00 0.00 C ATOM 377 O HIS A 24 -8.965 -6.204 9.812 1.00 0.00 O ATOM 378 CB HIS A 24 -9.998 -8.735 9.993 1.00 0.00 C ATOM 379 CG HIS A 24 -10.657 -10.066 10.184 1.00 0.00 C ATOM 380 ND1 HIS A 24 -10.480 -10.841 11.312 1.00 0.00 N ATOM 381 CD2 HIS A 24 -11.500 -10.759 9.382 1.00 0.00 C ATOM 382 CE1 HIS A 24 -11.184 -11.952 11.194 1.00 0.00 C ATOM 383 NE2 HIS A 24 -11.812 -11.927 10.033 1.00 0.00 N ATOM 0 H HIS A 24 -12.110 -7.225 9.961 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.200 -8.096 12.039 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -10.253 -8.352 9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.916 -8.869 10.014 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.860 -10.451 8.412 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -11.237 -12.746 11.924 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -12.429 -12.657 9.677 1.00 0.00 H new ATOM 392 N PRO A 25 -9.453 -5.595 11.924 1.00 0.00 N ATOM 393 CA PRO A 25 -8.668 -4.355 11.886 1.00 0.00 C ATOM 394 C PRO A 25 -7.201 -4.605 11.547 1.00 0.00 C ATOM 395 O PRO A 25 -6.562 -3.791 10.882 1.00 0.00 O ATOM 396 CB PRO A 25 -8.797 -3.794 13.303 1.00 0.00 C ATOM 397 CG PRO A 25 -9.240 -4.948 14.136 1.00 0.00 C ATOM 398 CD PRO A 25 -10.095 -5.784 13.232 1.00 0.00 C ATOM 0 HA PRO A 25 -9.030 -3.676 11.114 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.847 -3.393 13.657 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.520 -2.979 13.341 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.387 -5.516 14.506 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.801 -4.611 15.008 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.101 -6.831 13.534 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.132 -5.447 13.228 1.00 0.00 H new ATOM 406 N GLU A 26 -6.676 -5.736 12.013 1.00 0.00 N ATOM 407 CA GLU A 26 -5.283 -6.098 11.765 1.00 0.00 C ATOM 408 C GLU A 26 -4.953 -6.016 10.276 1.00 0.00 C ATOM 409 O GLU A 26 -3.827 -5.696 9.898 1.00 0.00 O ATOM 410 CB GLU A 26 -4.999 -7.508 12.290 1.00 0.00 C ATOM 411 CG GLU A 26 -5.861 -8.585 11.652 1.00 0.00 C ATOM 412 CD GLU A 26 -5.560 -9.970 12.193 1.00 0.00 C ATOM 413 OE1 GLU A 26 -5.708 -10.173 13.416 1.00 0.00 O ATOM 414 OE2 GLU A 26 -5.178 -10.850 11.394 1.00 0.00 O ATOM 0 H GLU A 26 -7.195 -6.418 12.565 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.649 -5.387 12.295 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.949 -7.746 12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.155 -7.522 13.369 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.912 -8.353 11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.705 -8.579 10.573 1.00 0.00 H new ATOM 421 N ILE A 27 -5.943 -6.309 9.439 1.00 0.00 N ATOM 422 CA ILE A 27 -5.761 -6.269 7.991 1.00 0.00 C ATOM 423 C ILE A 27 -5.466 -4.848 7.525 1.00 0.00 C ATOM 424 O ILE A 27 -4.524 -4.611 6.768 1.00 0.00 O ATOM 425 CB ILE A 27 -7.023 -6.762 7.260 1.00 0.00 C ATOM 426 CG1 ILE A 27 -7.572 -8.027 7.927 1.00 0.00 C ATOM 427 CG2 ILE A 27 -6.720 -7.012 5.789 1.00 0.00 C ATOM 428 CD1 ILE A 27 -6.708 -9.255 7.755 1.00 0.00 C ATOM 0 H ILE A 27 -6.881 -6.577 9.738 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.921 -6.923 7.755 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.787 -5.987 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.699 -7.834 8.992 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.562 -8.236 7.521 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -7.622 -7.360 5.286 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.380 -6.086 5.325 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -5.941 -7.769 5.702 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.174 -10.101 8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.601 -9.479 6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.725 -9.072 8.188 1.00 0.00 H new ATOM 440 N TYR A 28 -6.287 -3.908 7.985 1.00 0.00 N ATOM 441 CA TYR A 28 -6.136 -2.503 7.626 1.00 0.00 C ATOM 442 C TYR A 28 -4.764 -1.982 8.028 1.00 0.00 C ATOM 443 O TYR A 28 -4.060 -1.364 7.227 1.00 0.00 O ATOM 444 CB TYR A 28 -7.220 -1.677 8.314 1.00 0.00 C ATOM 445 CG TYR A 28 -7.155 -0.200 8.012 1.00 0.00 C ATOM 446 CD1 TYR A 28 -7.361 0.267 6.725 1.00 0.00 C ATOM 447 CD2 TYR A 28 -6.884 0.723 9.012 1.00 0.00 C ATOM 448 CE1 TYR A 28 -7.300 1.617 6.438 1.00 0.00 C ATOM 449 CE2 TYR A 28 -6.821 2.076 8.736 1.00 0.00 C ATOM 450 CZ TYR A 28 -7.030 2.518 7.447 1.00 0.00 C ATOM 451 OH TYR A 28 -6.968 3.863 7.166 1.00 0.00 O ATOM 0 H TYR A 28 -7.069 -4.097 8.612 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.235 -2.413 6.544 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.197 -2.056 8.012 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.142 -1.820 9.392 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -7.573 -0.436 5.933 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.720 0.379 10.022 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.463 1.965 5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.609 2.782 9.525 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.770 4.360 7.987 1.00 0.00 H new ATOM 461 N ARG A 29 -4.397 -2.232 9.277 1.00 0.00 N ATOM 462 CA ARG A 29 -3.117 -1.791 9.807 1.00 0.00 C ATOM 463 C ARG A 29 -1.955 -2.378 9.012 1.00 0.00 C ATOM 464 O ARG A 29 -1.111 -1.646 8.497 1.00 0.00 O ATOM 465 CB ARG A 29 -2.998 -2.204 11.271 1.00 0.00 C ATOM 466 CG ARG A 29 -4.065 -1.592 12.164 1.00 0.00 C ATOM 467 CD ARG A 29 -3.967 -0.074 12.212 1.00 0.00 C ATOM 468 NE ARG A 29 -2.680 0.382 12.726 1.00 0.00 N ATOM 469 CZ ARG A 29 -2.350 1.665 12.851 1.00 0.00 C ATOM 470 NH1 ARG A 29 -3.209 2.612 12.498 1.00 0.00 N ATOM 471 NH2 ARG A 29 -1.159 2.002 13.328 1.00 0.00 N ATOM 0 H ARG A 29 -4.974 -2.742 9.946 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.071 -0.705 9.723 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.058 -3.290 11.340 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.015 -1.915 11.643 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.051 -1.880 11.800 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.968 -1.994 13.173 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.119 0.329 11.211 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.766 0.320 12.840 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.996 -0.321 13.005 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.125 2.358 12.130 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.953 3.595 12.595 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.495 1.277 13.600 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.908 2.986 13.423 1.00 0.00 H new ATOM 485 N SER A 30 -1.922 -3.706 8.931 1.00 0.00 N ATOM 486 CA SER A 30 -0.865 -4.415 8.214 1.00 0.00 C ATOM 487 C SER A 30 -0.575 -3.769 6.861 1.00 0.00 C ATOM 488 O SER A 30 0.574 -3.456 6.556 1.00 0.00 O ATOM 489 CB SER A 30 -1.250 -5.883 8.022 1.00 0.00 C ATOM 490 OG SER A 30 -0.234 -6.592 7.336 1.00 0.00 O ATOM 0 H SER A 30 -2.620 -4.316 9.356 1.00 0.00 H new ATOM 0 HA SER A 30 0.042 -4.356 8.815 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.428 -6.345 8.993 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.183 -5.947 7.463 1.00 0.00 H new ATOM 0 HG SER A 30 -0.504 -7.528 7.228 1.00 0.00 H new ATOM 496 N PHE A 31 -1.619 -3.562 6.061 1.00 0.00 N ATOM 497 CA PHE A 31 -1.468 -2.941 4.746 1.00 0.00 C ATOM 498 C PHE A 31 -0.665 -1.649 4.847 1.00 0.00 C ATOM 499 O PHE A 31 0.264 -1.413 4.068 1.00 0.00 O ATOM 500 CB PHE A 31 -2.841 -2.641 4.139 1.00 0.00 C ATOM 501 CG PHE A 31 -2.774 -1.826 2.879 1.00 0.00 C ATOM 502 CD1 PHE A 31 -2.167 -2.332 1.740 1.00 0.00 C ATOM 503 CD2 PHE A 31 -3.311 -0.548 2.837 1.00 0.00 C ATOM 504 CE1 PHE A 31 -2.098 -1.579 0.583 1.00 0.00 C ATOM 505 CE2 PHE A 31 -3.245 0.208 1.683 1.00 0.00 C ATOM 506 CZ PHE A 31 -2.639 -0.308 0.554 1.00 0.00 C ATOM 0 H PHE A 31 -2.578 -3.815 6.300 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.933 -3.640 4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.349 -3.582 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.446 -2.110 4.874 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.743 -3.325 1.757 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -3.786 -0.139 3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.622 -1.984 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.667 1.202 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.588 0.281 -0.350 1.00 0.00 H new ATOM 516 N LEU A 32 -1.029 -0.818 5.816 1.00 0.00 N ATOM 517 CA LEU A 32 -0.350 0.449 6.030 1.00 0.00 C ATOM 518 C LEU A 32 1.103 0.205 6.411 1.00 0.00 C ATOM 519 O LEU A 32 2.003 0.917 5.968 1.00 0.00 O ATOM 520 CB LEU A 32 -1.069 1.252 7.115 1.00 0.00 C ATOM 521 CG LEU A 32 -2.571 1.432 6.881 1.00 0.00 C ATOM 522 CD1 LEU A 32 -3.189 2.280 7.979 1.00 0.00 C ATOM 523 CD2 LEU A 32 -2.826 2.054 5.519 1.00 0.00 C ATOM 0 H LEU A 32 -1.793 -1.002 6.466 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.370 1.026 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.920 0.757 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.605 2.236 7.189 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.041 0.449 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.257 2.395 7.793 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.039 1.793 8.943 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.715 3.262 7.991 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.899 2.175 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.340 3.029 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.422 1.406 4.742 1.00 0.00 H new ATOM 535 N GLU A 33 1.322 -0.826 7.221 1.00 0.00 N ATOM 536 CA GLU A 33 2.662 -1.196 7.650 1.00 0.00 C ATOM 537 C GLU A 33 3.483 -1.647 6.449 1.00 0.00 C ATOM 538 O GLU A 33 4.698 -1.474 6.421 1.00 0.00 O ATOM 539 CB GLU A 33 2.598 -2.310 8.698 1.00 0.00 C ATOM 540 CG GLU A 33 3.950 -2.684 9.285 1.00 0.00 C ATOM 541 CD GLU A 33 4.572 -1.561 10.093 1.00 0.00 C ATOM 542 OE1 GLU A 33 4.833 -0.485 9.516 1.00 0.00 O ATOM 543 OE2 GLU A 33 4.795 -1.757 11.306 1.00 0.00 O ATOM 0 H GLU A 33 0.583 -1.422 7.594 1.00 0.00 H new ATOM 0 HA GLU A 33 3.141 -0.327 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.936 -1.997 9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.152 -3.196 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.834 -3.562 9.921 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.627 -2.962 8.477 1.00 0.00 H new ATOM 550 N ILE A 34 2.805 -2.220 5.453 1.00 0.00 N ATOM 551 CA ILE A 34 3.472 -2.680 4.243 1.00 0.00 C ATOM 552 C ILE A 34 4.083 -1.500 3.503 1.00 0.00 C ATOM 553 O ILE A 34 5.296 -1.446 3.287 1.00 0.00 O ATOM 554 CB ILE A 34 2.492 -3.405 3.315 1.00 0.00 C ATOM 555 CG1 ILE A 34 1.850 -4.569 4.063 1.00 0.00 C ATOM 556 CG2 ILE A 34 3.209 -3.891 2.061 1.00 0.00 C ATOM 557 CD1 ILE A 34 0.872 -5.348 3.227 1.00 0.00 C ATOM 0 H ILE A 34 1.797 -2.374 5.464 1.00 0.00 H new ATOM 0 HA ILE A 34 4.256 -3.377 4.538 1.00 0.00 H new ATOM 0 HB ILE A 34 1.709 -2.713 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.633 -5.241 4.415 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.338 -4.186 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.499 -4.404 1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.634 -3.038 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.007 -4.579 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.453 -6.161 3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.069 -4.688 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.384 -5.760 2.357 1.00 0.00 H new ATOM 569 N LEU A 35 3.234 -0.538 3.144 1.00 0.00 N ATOM 570 CA LEU A 35 3.689 0.664 2.461 1.00 0.00 C ATOM 571 C LEU A 35 4.738 1.355 3.322 1.00 0.00 C ATOM 572 O LEU A 35 5.715 1.914 2.821 1.00 0.00 O ATOM 573 CB LEU A 35 2.511 1.606 2.199 1.00 0.00 C ATOM 574 CG LEU A 35 1.422 1.048 1.276 1.00 0.00 C ATOM 575 CD1 LEU A 35 0.195 1.945 1.293 1.00 0.00 C ATOM 576 CD2 LEU A 35 1.947 0.903 -0.145 1.00 0.00 C ATOM 0 H LEU A 35 2.229 -0.571 3.316 1.00 0.00 H new ATOM 0 HA LEU A 35 4.127 0.393 1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.056 1.867 3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.894 2.529 1.765 1.00 0.00 H new ATOM 0 HG LEU A 35 1.137 0.062 1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.567 1.532 0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.199 2.004 2.308 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.469 2.943 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.159 0.505 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.261 1.878 -0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.798 0.222 -0.151 1.00 0.00 H new ATOM 588 N HIS A 36 4.519 1.288 4.631 1.00 0.00 N ATOM 589 CA HIS A 36 5.423 1.873 5.610 1.00 0.00 C ATOM 590 C HIS A 36 6.805 1.227 5.539 1.00 0.00 C ATOM 591 O HIS A 36 7.824 1.917 5.492 1.00 0.00 O ATOM 592 CB HIS A 36 4.831 1.701 7.012 1.00 0.00 C ATOM 593 CG HIS A 36 4.214 2.947 7.563 1.00 0.00 C ATOM 594 ND1 HIS A 36 4.911 4.125 7.726 1.00 0.00 N ATOM 595 CD2 HIS A 36 2.959 3.191 7.998 1.00 0.00 C ATOM 596 CE1 HIS A 36 4.110 5.040 8.239 1.00 0.00 C ATOM 597 NE2 HIS A 36 2.918 4.498 8.413 1.00 0.00 N ATOM 0 H HIS A 36 3.708 0.825 5.042 1.00 0.00 H new ATOM 0 HA HIS A 36 5.539 2.934 5.388 1.00 0.00 H new ATOM 0 HB2 HIS A 36 4.077 0.915 6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.616 1.365 7.689 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.140 2.488 8.016 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.383 6.058 8.476 1.00 0.00 H new ATOM 0 HE2 HIS A 36 2.100 4.974 8.794 1.00 0.00 H new ATOM 606 N THR A 37 6.826 -0.104 5.523 1.00 0.00 N ATOM 607 CA THR A 37 8.072 -0.859 5.456 1.00 0.00 C ATOM 608 C THR A 37 8.903 -0.424 4.259 1.00 0.00 C ATOM 609 O THR A 37 10.114 -0.238 4.367 1.00 0.00 O ATOM 610 CB THR A 37 7.801 -2.373 5.358 1.00 0.00 C ATOM 611 OG1 THR A 37 7.048 -2.812 6.494 1.00 0.00 O ATOM 612 CG2 THR A 37 9.104 -3.156 5.277 1.00 0.00 C ATOM 0 H THR A 37 5.987 -0.684 5.556 1.00 0.00 H new ATOM 0 HA THR A 37 8.624 -0.655 6.374 1.00 0.00 H new ATOM 0 HB THR A 37 7.229 -2.556 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.134 -2.463 6.435 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.885 -4.221 5.209 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.662 -2.843 4.395 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.699 -2.965 6.170 1.00 0.00 H new ATOM 939 N GLU A 57 8.335 -6.017 -3.345 1.00 0.00 N ATOM 940 CA GLU A 57 7.969 -6.536 -2.029 1.00 0.00 C ATOM 941 C GLU A 57 6.585 -6.065 -1.597 1.00 0.00 C ATOM 942 O GLU A 57 5.759 -6.865 -1.164 1.00 0.00 O ATOM 943 CB GLU A 57 8.994 -6.119 -0.975 1.00 0.00 C ATOM 944 CG GLU A 57 8.708 -6.698 0.404 1.00 0.00 C ATOM 945 CD GLU A 57 8.942 -8.196 0.472 1.00 0.00 C ATOM 946 OE1 GLU A 57 9.359 -8.782 -0.550 1.00 0.00 O ATOM 947 OE2 GLU A 57 8.713 -8.783 1.550 1.00 0.00 O ATOM 0 HA GLU A 57 7.954 -7.623 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.986 -6.437 -1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.014 -5.031 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.341 -6.202 1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.675 -6.483 0.676 1.00 0.00 H new ATOM 954 N VAL A 58 6.344 -4.761 -1.702 1.00 0.00 N ATOM 955 CA VAL A 58 5.063 -4.184 -1.303 1.00 0.00 C ATOM 956 C VAL A 58 3.901 -4.905 -1.976 1.00 0.00 C ATOM 957 O VAL A 58 2.896 -5.209 -1.336 1.00 0.00 O ATOM 958 CB VAL A 58 4.992 -2.683 -1.646 1.00 0.00 C ATOM 959 CG1 VAL A 58 3.677 -2.083 -1.172 1.00 0.00 C ATOM 960 CG2 VAL A 58 6.171 -1.942 -1.037 1.00 0.00 C ATOM 0 H VAL A 58 7.018 -4.084 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 58 4.984 -4.306 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 58 5.041 -2.577 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.649 -1.023 -1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.847 -2.594 -1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.592 -2.201 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.105 -0.884 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 58 6.154 -2.059 0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.101 -2.352 -1.431 1.00 0.00 H new ATOM 970 N PHE A 59 4.049 -5.183 -3.263 1.00 0.00 N ATOM 971 CA PHE A 59 3.013 -5.879 -4.013 1.00 0.00 C ATOM 972 C PHE A 59 2.782 -7.275 -3.441 1.00 0.00 C ATOM 973 O PHE A 59 1.655 -7.768 -3.420 1.00 0.00 O ATOM 974 CB PHE A 59 3.400 -5.975 -5.492 1.00 0.00 C ATOM 975 CG PHE A 59 2.383 -6.689 -6.340 1.00 0.00 C ATOM 976 CD1 PHE A 59 1.048 -6.317 -6.309 1.00 0.00 C ATOM 977 CD2 PHE A 59 2.766 -7.730 -7.171 1.00 0.00 C ATOM 978 CE1 PHE A 59 0.114 -6.971 -7.091 1.00 0.00 C ATOM 979 CE2 PHE A 59 1.837 -8.387 -7.954 1.00 0.00 C ATOM 980 CZ PHE A 59 0.509 -8.008 -7.914 1.00 0.00 C ATOM 0 H PHE A 59 4.875 -4.938 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 59 2.087 -5.310 -3.927 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.546 -4.969 -5.886 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.356 -6.492 -5.575 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.734 -5.507 -5.667 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.803 -8.031 -7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.923 -6.672 -7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.149 -9.197 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 59 -0.219 -8.521 -8.525 1.00 0.00 H new ATOM 990 N THR A 60 3.862 -7.909 -2.990 1.00 0.00 N ATOM 991 CA THR A 60 3.784 -9.253 -2.429 1.00 0.00 C ATOM 992 C THR A 60 3.136 -9.260 -1.046 1.00 0.00 C ATOM 993 O THR A 60 2.209 -10.026 -0.797 1.00 0.00 O ATOM 994 CB THR A 60 5.181 -9.898 -2.327 1.00 0.00 C ATOM 995 OG1 THR A 60 5.795 -9.947 -3.621 1.00 0.00 O ATOM 996 CG2 THR A 60 5.088 -11.305 -1.755 1.00 0.00 C ATOM 0 H THR A 60 4.802 -7.512 -3.003 1.00 0.00 H new ATOM 0 HA THR A 60 3.162 -9.833 -3.111 1.00 0.00 H new ATOM 0 HB THR A 60 5.788 -9.288 -1.658 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.682 -10.356 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.086 -11.739 -1.693 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.647 -11.264 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 60 4.464 -11.921 -2.403 1.00 0.00 H new ATOM 1004 N GLU A 61 3.638 -8.414 -0.150 1.00 0.00 N ATOM 1005 CA GLU A 61 3.117 -8.333 1.210 1.00 0.00 C ATOM 1006 C GLU A 61 1.628 -8.004 1.203 1.00 0.00 C ATOM 1007 O GLU A 61 0.844 -8.632 1.916 1.00 0.00 O ATOM 1008 CB GLU A 61 3.897 -7.289 2.011 1.00 0.00 C ATOM 1009 CG GLU A 61 3.663 -7.373 3.510 1.00 0.00 C ATOM 1010 CD GLU A 61 4.548 -6.422 4.294 1.00 0.00 C ATOM 1011 OE1 GLU A 61 5.349 -5.698 3.664 1.00 0.00 O ATOM 1012 OE2 GLU A 61 4.442 -6.402 5.538 1.00 0.00 O ATOM 0 H GLU A 61 4.408 -7.773 -0.343 1.00 0.00 H new ATOM 0 HA GLU A 61 3.243 -9.305 1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.962 -7.410 1.811 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.619 -6.294 1.663 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.618 -7.150 3.724 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.846 -8.394 3.846 1.00 0.00 H new ATOM 1019 N VAL A 62 1.237 -7.033 0.381 1.00 0.00 N ATOM 1020 CA VAL A 62 -0.165 -6.650 0.275 1.00 0.00 C ATOM 1021 C VAL A 62 -0.980 -7.812 -0.285 1.00 0.00 C ATOM 1022 O VAL A 62 -2.068 -8.112 0.205 1.00 0.00 O ATOM 1023 CB VAL A 62 -0.354 -5.411 -0.623 1.00 0.00 C ATOM 1024 CG1 VAL A 62 -1.831 -5.086 -0.789 1.00 0.00 C ATOM 1025 CG2 VAL A 62 0.393 -4.216 -0.048 1.00 0.00 C ATOM 0 H VAL A 62 1.869 -6.501 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.514 -6.398 1.276 1.00 0.00 H new ATOM 0 HB VAL A 62 0.059 -5.636 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.941 -4.208 -1.426 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.341 -5.933 -1.247 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.271 -4.883 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.248 -3.351 -0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.010 -3.993 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.456 -4.448 0.015 1.00 0.00 H new ATOM 1035 N ALA A 63 -0.430 -8.473 -1.303 1.00 0.00 N ATOM 1036 CA ALA A 63 -1.091 -9.617 -1.915 1.00 0.00 C ATOM 1037 C ALA A 63 -1.309 -10.712 -0.879 1.00 0.00 C ATOM 1038 O ALA A 63 -2.371 -11.333 -0.823 1.00 0.00 O ATOM 1039 CB ALA A 63 -0.270 -10.146 -3.081 1.00 0.00 C ATOM 0 H ALA A 63 0.470 -8.234 -1.718 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.061 -9.297 -2.296 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.779 -11.001 -3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.154 -9.362 -3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.712 -10.455 -2.724 1.00 0.00 H new ATOM 1045 N ASN A 64 -0.292 -10.927 -0.050 1.00 0.00 N ATOM 1046 CA ASN A 64 -0.355 -11.926 1.007 1.00 0.00 C ATOM 1047 C ASN A 64 -1.491 -11.602 1.972 1.00 0.00 C ATOM 1048 O ASN A 64 -2.210 -12.493 2.425 1.00 0.00 O ATOM 1049 CB ASN A 64 0.983 -11.995 1.750 1.00 0.00 C ATOM 1050 CG ASN A 64 2.074 -12.654 0.924 1.00 0.00 C ATOM 1051 OD1 ASN A 64 1.917 -13.787 0.464 1.00 0.00 O ATOM 1052 ND2 ASN A 64 3.191 -11.957 0.737 1.00 0.00 N ATOM 0 H ASN A 64 0.591 -10.418 -0.092 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.551 -12.901 0.560 1.00 0.00 H new ATOM 0 HB2 ASN A 64 1.296 -10.987 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 64 0.851 -12.549 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 64 3.957 -12.357 0.196 1.00 0.00 H new ATOM 0 HD22 ASN A 64 3.281 -11.022 1.135 1.00 0.00 H new ATOM 1059 N LEU A 65 -1.651 -10.317 2.269 1.00 0.00 N ATOM 1060 CA LEU A 65 -2.704 -9.854 3.163 1.00 0.00 C ATOM 1061 C LEU A 65 -4.079 -10.160 2.587 1.00 0.00 C ATOM 1062 O LEU A 65 -4.848 -10.939 3.151 1.00 0.00 O ATOM 1063 CB LEU A 65 -2.580 -8.348 3.354 1.00 0.00 C ATOM 1064 CG LEU A 65 -2.274 -7.882 4.769 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -2.070 -6.381 4.767 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -3.399 -8.270 5.719 1.00 0.00 C ATOM 0 H LEU A 65 -1.059 -9.573 1.900 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.595 -10.371 4.116 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.795 -7.981 2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.511 -7.882 3.032 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.363 -8.368 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.850 -6.042 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.237 -6.128 4.111 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.976 -5.891 4.409 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.160 -7.927 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.329 -7.807 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.514 -9.354 5.723 1.00 0.00 H new ATOM 1078 N PHE A 66 -4.373 -9.519 1.462 1.00 0.00 N ATOM 1079 CA PHE A 66 -5.653 -9.683 0.779 1.00 0.00 C ATOM 1080 C PHE A 66 -5.740 -11.022 0.051 1.00 0.00 C ATOM 1081 O PHE A 66 -6.234 -11.089 -1.076 1.00 0.00 O ATOM 1082 CB PHE A 66 -5.853 -8.546 -0.227 1.00 0.00 C ATOM 1083 CG PHE A 66 -5.941 -7.173 0.386 1.00 0.00 C ATOM 1084 CD1 PHE A 66 -6.013 -7.001 1.762 1.00 0.00 C ATOM 1085 CD2 PHE A 66 -5.946 -6.049 -0.424 1.00 0.00 C ATOM 1086 CE1 PHE A 66 -6.090 -5.738 2.314 1.00 0.00 C ATOM 1087 CE2 PHE A 66 -6.023 -4.783 0.123 1.00 0.00 C ATOM 1088 CZ PHE A 66 -6.095 -4.627 1.494 1.00 0.00 C ATOM 0 H PHE A 66 -3.734 -8.873 0.998 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.437 -9.658 1.536 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -5.028 -8.559 -0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -6.765 -8.736 -0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.009 -7.866 2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.889 -6.164 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.146 -5.619 3.386 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.027 -3.916 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.155 -3.638 1.924 1.00 0.00 H new ATOM 1098 N ARG A 67 -5.272 -12.088 0.691 1.00 0.00 N ATOM 1099 CA ARG A 67 -5.320 -13.410 0.082 1.00 0.00 C ATOM 1100 C ARG A 67 -6.763 -13.783 -0.235 1.00 0.00 C ATOM 1101 O ARG A 67 -7.645 -13.664 0.616 1.00 0.00 O ATOM 1102 CB ARG A 67 -4.686 -14.450 1.010 1.00 0.00 C ATOM 1103 CG ARG A 67 -4.684 -15.858 0.436 1.00 0.00 C ATOM 1104 CD ARG A 67 -3.964 -16.832 1.355 1.00 0.00 C ATOM 1105 NE ARG A 67 -4.574 -16.893 2.680 1.00 0.00 N ATOM 1106 CZ ARG A 67 -5.812 -17.326 2.909 1.00 0.00 C ATOM 1107 NH1 ARG A 67 -6.567 -17.756 1.906 1.00 0.00 N ATOM 1108 NH2 ARG A 67 -6.292 -17.334 4.144 1.00 0.00 N ATOM 0 H ARG A 67 -4.859 -12.063 1.623 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.751 -13.392 -0.847 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.660 -14.154 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.223 -14.454 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.710 -16.191 0.283 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.201 -15.853 -0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.972 -17.826 0.907 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.920 -16.534 1.451 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.018 -16.585 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.199 -17.756 0.955 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.515 -18.087 2.087 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.713 -17.009 4.918 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.240 -17.666 4.320 1.00 0.00 H new ATOM 1122 N GLY A 68 -6.998 -14.213 -1.469 1.00 0.00 N ATOM 1123 CA GLY A 68 -8.342 -14.572 -1.884 1.00 0.00 C ATOM 1124 C GLY A 68 -9.151 -13.356 -2.296 1.00 0.00 C ATOM 1125 O GLY A 68 -9.864 -13.388 -3.299 1.00 0.00 O ATOM 0 H GLY A 68 -6.283 -14.320 -2.189 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -8.290 -15.273 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.849 -15.086 -1.067 1.00 0.00 H new ATOM 1129 N GLN A 69 -9.033 -12.279 -1.521 1.00 0.00 N ATOM 1130 CA GLN A 69 -9.744 -11.041 -1.805 1.00 0.00 C ATOM 1131 C GLN A 69 -9.003 -10.229 -2.865 1.00 0.00 C ATOM 1132 O GLN A 69 -8.733 -9.042 -2.676 1.00 0.00 O ATOM 1133 CB GLN A 69 -9.903 -10.212 -0.527 1.00 0.00 C ATOM 1134 CG GLN A 69 -10.826 -10.831 0.516 1.00 0.00 C ATOM 1135 CD GLN A 69 -10.315 -12.146 1.077 1.00 0.00 C ATOM 1136 OE1 GLN A 69 -10.320 -13.174 0.398 1.00 0.00 O ATOM 1137 NE2 GLN A 69 -9.867 -12.121 2.326 1.00 0.00 N ATOM 0 H GLN A 69 -8.447 -12.243 -0.687 1.00 0.00 H new ATOM 0 HA GLN A 69 -10.733 -11.294 -2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.920 -10.063 -0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.285 -9.227 -0.793 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.961 -10.124 1.335 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -11.807 -10.993 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.880 -11.249 2.855 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.510 -12.974 2.757 1.00 0.00 H new ATOM 1146 N GLU A 70 -8.664 -10.883 -3.971 1.00 0.00 N ATOM 1147 CA GLU A 70 -7.937 -10.240 -5.063 1.00 0.00 C ATOM 1148 C GLU A 70 -8.723 -9.080 -5.673 1.00 0.00 C ATOM 1149 O GLU A 70 -8.241 -8.412 -6.589 1.00 0.00 O ATOM 1150 CB GLU A 70 -7.609 -11.267 -6.143 1.00 0.00 C ATOM 1151 CG GLU A 70 -6.710 -12.384 -5.649 1.00 0.00 C ATOM 1152 CD GLU A 70 -6.515 -13.478 -6.680 1.00 0.00 C ATOM 1153 OE1 GLU A 70 -7.518 -14.104 -7.081 1.00 0.00 O ATOM 1154 OE2 GLU A 70 -5.356 -13.709 -7.087 1.00 0.00 O ATOM 0 H GLU A 70 -8.883 -11.865 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.016 -9.831 -4.648 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.537 -11.696 -6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.126 -10.763 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.739 -11.970 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.138 -12.815 -4.744 1.00 0.00 H new ATOM 1161 N ASP A 71 -9.929 -8.835 -5.164 1.00 0.00 N ATOM 1162 CA ASP A 71 -10.760 -7.748 -5.668 1.00 0.00 C ATOM 1163 C ASP A 71 -10.065 -6.409 -5.463 1.00 0.00 C ATOM 1164 O ASP A 71 -9.976 -5.592 -6.379 1.00 0.00 O ATOM 1165 CB ASP A 71 -12.115 -7.747 -4.969 1.00 0.00 C ATOM 1166 CG ASP A 71 -12.896 -9.025 -5.209 1.00 0.00 C ATOM 1167 OD1 ASP A 71 -12.392 -10.107 -4.843 1.00 0.00 O ATOM 1168 OD2 ASP A 71 -14.011 -8.943 -5.766 1.00 0.00 O ATOM 0 H ASP A 71 -10.349 -9.373 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 71 -10.917 -7.901 -6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.967 -7.612 -3.898 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.700 -6.897 -5.320 1.00 0.00 H new ATOM 1173 N LEU A 72 -9.559 -6.202 -4.253 1.00 0.00 N ATOM 1174 CA LEU A 72 -8.850 -4.976 -3.909 1.00 0.00 C ATOM 1175 C LEU A 72 -7.487 -4.947 -4.587 1.00 0.00 C ATOM 1176 O LEU A 72 -6.998 -3.892 -4.997 1.00 0.00 O ATOM 1177 CB LEU A 72 -8.672 -4.885 -2.393 1.00 0.00 C ATOM 1178 CG LEU A 72 -9.972 -4.837 -1.593 1.00 0.00 C ATOM 1179 CD1 LEU A 72 -9.688 -5.010 -0.108 1.00 0.00 C ATOM 1180 CD2 LEU A 72 -10.699 -3.525 -1.850 1.00 0.00 C ATOM 0 H LEU A 72 -9.628 -6.874 -3.488 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.436 -4.125 -4.255 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.088 -5.743 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.088 -3.993 -2.164 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.613 -5.657 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.625 -4.973 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.203 -5.972 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.032 -4.209 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.624 -3.503 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.064 -2.692 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.930 -3.439 -2.912 1.00 0.00 H new ATOM 1192 N LEU A 73 -6.883 -6.125 -4.695 1.00 0.00 N ATOM 1193 CA LEU A 73 -5.587 -6.287 -5.304 1.00 0.00 C ATOM 1194 C LEU A 73 -5.560 -5.692 -6.705 1.00 0.00 C ATOM 1195 O LEU A 73 -4.577 -5.071 -7.109 1.00 0.00 O ATOM 1196 CB LEU A 73 -5.277 -7.775 -5.357 1.00 0.00 C ATOM 1197 CG LEU A 73 -3.999 -8.213 -4.643 1.00 0.00 C ATOM 1198 CD1 LEU A 73 -2.808 -7.377 -5.086 1.00 0.00 C ATOM 1199 CD2 LEU A 73 -4.193 -8.120 -3.142 1.00 0.00 C ATOM 0 H LEU A 73 -7.291 -6.996 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.836 -5.761 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.117 -8.318 -4.924 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.208 -8.076 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.790 -9.249 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.913 -7.712 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.663 -7.491 -6.160 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -2.993 -6.328 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.279 -8.433 -2.637 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.424 -7.091 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.015 -8.769 -2.840 1.00 0.00 H new ATOM 1211 N SER A 74 -6.648 -5.890 -7.438 1.00 0.00 N ATOM 1212 CA SER A 74 -6.765 -5.380 -8.796 1.00 0.00 C ATOM 1213 C SER A 74 -6.508 -3.878 -8.838 1.00 0.00 C ATOM 1214 O SER A 74 -5.846 -3.378 -9.747 1.00 0.00 O ATOM 1215 CB SER A 74 -8.156 -5.682 -9.350 1.00 0.00 C ATOM 1216 OG SER A 74 -8.285 -5.226 -10.686 1.00 0.00 O ATOM 0 H SER A 74 -7.466 -6.404 -7.111 1.00 0.00 H new ATOM 0 HA SER A 74 -6.015 -5.876 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.341 -6.755 -9.310 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.911 -5.204 -8.725 1.00 0.00 H new ATOM 0 HG SER A 74 -9.184 -5.433 -11.017 1.00 0.00 H new ATOM 1222 N GLU A 75 -7.037 -3.165 -7.849 1.00 0.00 N ATOM 1223 CA GLU A 75 -6.865 -1.719 -7.777 1.00 0.00 C ATOM 1224 C GLU A 75 -5.424 -1.352 -7.437 1.00 0.00 C ATOM 1225 O GLU A 75 -4.840 -0.460 -8.053 1.00 0.00 O ATOM 1226 CB GLU A 75 -7.819 -1.126 -6.738 1.00 0.00 C ATOM 1227 CG GLU A 75 -9.285 -1.369 -7.055 1.00 0.00 C ATOM 1228 CD GLU A 75 -10.220 -0.735 -6.042 1.00 0.00 C ATOM 1229 OE1 GLU A 75 -9.722 -0.088 -5.098 1.00 0.00 O ATOM 1230 OE2 GLU A 75 -11.449 -0.885 -6.196 1.00 0.00 O ATOM 0 H GLU A 75 -7.587 -3.564 -7.088 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.098 -1.301 -8.756 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.591 -1.553 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.644 -0.053 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.508 -0.973 -8.046 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.471 -2.442 -7.092 1.00 0.00 H new ATOM 1237 N PHE A 76 -4.859 -2.042 -6.452 1.00 0.00 N ATOM 1238 CA PHE A 76 -3.486 -1.790 -6.022 1.00 0.00 C ATOM 1239 C PHE A 76 -2.505 -1.944 -7.182 1.00 0.00 C ATOM 1240 O PHE A 76 -1.614 -1.116 -7.368 1.00 0.00 O ATOM 1241 CB PHE A 76 -3.107 -2.749 -4.891 1.00 0.00 C ATOM 1242 CG PHE A 76 -1.739 -2.508 -4.313 1.00 0.00 C ATOM 1243 CD1 PHE A 76 -1.337 -1.232 -3.952 1.00 0.00 C ATOM 1244 CD2 PHE A 76 -0.856 -3.561 -4.127 1.00 0.00 C ATOM 1245 CE1 PHE A 76 -0.083 -1.010 -3.417 1.00 0.00 C ATOM 1246 CE2 PHE A 76 0.400 -3.346 -3.592 1.00 0.00 C ATOM 1247 CZ PHE A 76 0.787 -2.067 -3.237 1.00 0.00 C ATOM 0 H PHE A 76 -5.332 -2.783 -5.934 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.429 -0.763 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.846 -2.664 -4.094 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.157 -3.772 -5.265 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.012 -0.401 -4.091 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.154 -4.562 -4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.217 -0.010 -3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.078 -4.175 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.768 -1.895 -2.820 1.00 0.00 H new ATOM 1257 N GLY A 77 -2.675 -3.014 -7.951 1.00 0.00 N ATOM 1258 CA GLY A 77 -1.796 -3.269 -9.080 1.00 0.00 C ATOM 1259 C GLY A 77 -1.777 -2.130 -10.081 1.00 0.00 C ATOM 1260 O GLY A 77 -0.714 -1.750 -10.573 1.00 0.00 O ATOM 0 H GLY A 77 -3.407 -3.711 -7.813 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.784 -3.442 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.114 -4.183 -9.582 1.00 0.00 H new ATOM 1423 N ILE B 2 2.685 5.471 -4.770 1.00 0.00 N ATOM 1424 CA ILE B 2 2.723 4.862 -3.444 1.00 0.00 C ATOM 1425 C ILE B 2 2.636 5.906 -2.333 1.00 0.00 C ATOM 1426 O ILE B 2 1.968 5.681 -1.325 1.00 0.00 O ATOM 1427 CB ILE B 2 3.982 3.997 -3.258 1.00 0.00 C ATOM 1428 CG1 ILE B 2 3.902 2.752 -4.148 1.00 0.00 C ATOM 1429 CG2 ILE B 2 4.175 3.610 -1.797 1.00 0.00 C ATOM 1430 CD1 ILE B 2 2.666 1.908 -3.909 1.00 0.00 C ATOM 0 HA ILE B 2 1.846 4.219 -3.372 1.00 0.00 H new ATOM 0 HB ILE B 2 4.849 4.585 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE B 2 3.923 3.062 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE B 2 4.787 2.139 -3.980 1.00 0.00 H new ATOM 0 HG21 ILE B 2 5.072 2.999 -1.698 1.00 0.00 H new ATOM 0 HG22 ILE B 2 4.281 4.511 -1.193 1.00 0.00 H new ATOM 0 HG23 ILE B 2 3.310 3.042 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE B 2 2.680 1.045 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE B 2 2.653 1.567 -2.874 1.00 0.00 H new ATOM 0 HD13 ILE B 2 1.775 2.504 -4.106 1.00 0.00 H new ATOM 1442 N GLN B 3 3.298 7.045 -2.516 1.00 0.00 N ATOM 1443 CA GLN B 3 3.267 8.104 -1.515 1.00 0.00 C ATOM 1444 C GLN B 3 1.830 8.520 -1.233 1.00 0.00 C ATOM 1445 O GLN B 3 1.475 8.843 -0.104 1.00 0.00 O ATOM 1446 CB GLN B 3 4.062 9.324 -1.982 1.00 0.00 C ATOM 1447 CG GLN B 3 3.405 10.070 -3.130 1.00 0.00 C ATOM 1448 CD GLN B 3 3.842 11.517 -3.210 1.00 0.00 C ATOM 1449 OE1 GLN B 3 4.998 11.815 -3.507 1.00 0.00 O ATOM 1450 NE2 GLN B 3 2.915 12.425 -2.922 1.00 0.00 N ATOM 0 H GLN B 3 3.858 7.256 -3.342 1.00 0.00 H new ATOM 0 HA GLN B 3 3.722 7.715 -0.604 1.00 0.00 H new ATOM 0 HB2 GLN B 3 4.192 10.007 -1.142 1.00 0.00 H new ATOM 0 HB3 GLN B 3 5.057 9.004 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN B 3 3.645 9.570 -4.068 1.00 0.00 H new ATOM 0 HG3 GLN B 3 2.322 10.027 -3.014 1.00 0.00 H new ATOM 0 HE21 GLN B 3 1.969 12.129 -2.681 1.00 0.00 H new ATOM 0 HE22 GLN B 3 3.150 13.417 -2.942 1.00 0.00 H new ATOM 1459 N MET B 4 1.013 8.518 -2.282 1.00 0.00 N ATOM 1460 CA MET B 4 -0.390 8.900 -2.170 1.00 0.00 C ATOM 1461 C MET B 4 -1.155 7.952 -1.250 1.00 0.00 C ATOM 1462 O MET B 4 -1.904 8.398 -0.384 1.00 0.00 O ATOM 1463 CB MET B 4 -1.034 8.940 -3.557 1.00 0.00 C ATOM 1464 CG MET B 4 -0.784 7.688 -4.378 1.00 0.00 C ATOM 1465 SD MET B 4 -1.439 7.811 -6.053 1.00 0.00 S ATOM 1466 CE MET B 4 -0.876 6.257 -6.742 1.00 0.00 C ATOM 0 H MET B 4 1.301 8.254 -3.224 1.00 0.00 H new ATOM 0 HA MET B 4 -0.436 9.895 -1.728 1.00 0.00 H new ATOM 0 HB2 MET B 4 -2.109 9.083 -3.446 1.00 0.00 H new ATOM 0 HB3 MET B 4 -0.652 9.804 -4.101 1.00 0.00 H new ATOM 0 HG2 MET B 4 0.288 7.497 -4.425 1.00 0.00 H new ATOM 0 HG3 MET B 4 -1.238 6.833 -3.877 1.00 0.00 H new ATOM 0 HE1 MET B 4 -1.202 6.180 -7.779 1.00 0.00 H new ATOM 0 HE2 MET B 4 0.212 6.213 -6.699 1.00 0.00 H new ATOM 0 HE3 MET B 4 -1.295 5.431 -6.167 1.00 0.00 H new ATOM 1476 N LEU B 5 -0.958 6.646 -1.430 1.00 0.00 N ATOM 1477 CA LEU B 5 -1.630 5.652 -0.592 1.00 0.00 C ATOM 1478 C LEU B 5 -1.087 5.704 0.831 1.00 0.00 C ATOM 1479 O LEU B 5 -1.842 5.663 1.803 1.00 0.00 O ATOM 1480 CB LEU B 5 -1.450 4.243 -1.169 1.00 0.00 C ATOM 1481 CG LEU B 5 -2.128 3.996 -2.520 1.00 0.00 C ATOM 1482 CD1 LEU B 5 -1.866 2.576 -2.995 1.00 0.00 C ATOM 1483 CD2 LEU B 5 -3.624 4.251 -2.423 1.00 0.00 C ATOM 0 H LEU B 5 -0.343 6.253 -2.143 1.00 0.00 H new ATOM 0 HA LEU B 5 -2.694 5.887 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -0.383 4.046 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -1.838 3.522 -0.450 1.00 0.00 H new ATOM 0 HG LEU B 5 -1.705 4.690 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.355 2.418 -3.956 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.793 2.421 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.262 1.869 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -4.088 4.070 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -4.060 3.581 -1.682 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -3.798 5.285 -2.125 1.00 0.00 H new ATOM 1495 N LEU B 6 0.232 5.802 0.936 1.00 0.00 N ATOM 1496 CA LEU B 6 0.913 5.870 2.224 1.00 0.00 C ATOM 1497 C LEU B 6 0.462 7.101 3.006 1.00 0.00 C ATOM 1498 O LEU B 6 0.185 7.025 4.203 1.00 0.00 O ATOM 1499 CB LEU B 6 2.425 5.916 1.989 1.00 0.00 C ATOM 1500 CG LEU B 6 3.300 5.959 3.243 1.00 0.00 C ATOM 1501 CD1 LEU B 6 3.204 4.653 4.015 1.00 0.00 C ATOM 1502 CD2 LEU B 6 4.743 6.246 2.861 1.00 0.00 C ATOM 0 H LEU B 6 0.860 5.837 0.133 1.00 0.00 H new ATOM 0 HA LEU B 6 0.661 4.986 2.810 1.00 0.00 H new ATOM 0 HB2 LEU B 6 2.708 5.041 1.403 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.651 6.793 1.382 1.00 0.00 H new ATOM 0 HG LEU B 6 2.940 6.760 3.889 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.835 4.708 4.902 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.170 4.483 4.315 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.538 3.831 3.382 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.359 6.275 3.760 1.00 0.00 H new ATOM 0 HD22 LEU B 6 5.107 5.462 2.197 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.800 7.208 2.351 1.00 0.00 H new ATOM 1514 N GLU B 7 0.389 8.231 2.312 1.00 0.00 N ATOM 1515 CA GLU B 7 -0.031 9.490 2.915 1.00 0.00 C ATOM 1516 C GLU B 7 -1.535 9.486 3.177 1.00 0.00 C ATOM 1517 O GLU B 7 -2.007 10.054 4.163 1.00 0.00 O ATOM 1518 CB GLU B 7 0.342 10.667 2.006 1.00 0.00 C ATOM 1519 CG GLU B 7 -0.074 12.021 2.558 1.00 0.00 C ATOM 1520 CD GLU B 7 0.306 13.167 1.641 1.00 0.00 C ATOM 1521 OE1 GLU B 7 1.514 13.333 1.368 1.00 0.00 O ATOM 1522 OE2 GLU B 7 -0.603 13.897 1.195 1.00 0.00 O ATOM 0 H GLU B 7 0.618 8.300 1.320 1.00 0.00 H new ATOM 0 HA GLU B 7 0.487 9.602 3.868 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.420 10.665 1.848 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -0.124 10.523 1.031 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -1.153 12.029 2.715 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.392 12.171 3.532 1.00 0.00 H new ATOM 1529 N ALA B 8 -2.277 8.844 2.279 1.00 0.00 N ATOM 1530 CA ALA B 8 -3.730 8.758 2.395 1.00 0.00 C ATOM 1531 C ALA B 8 -4.142 8.198 3.748 1.00 0.00 C ATOM 1532 O ALA B 8 -5.111 8.656 4.352 1.00 0.00 O ATOM 1533 CB ALA B 8 -4.293 7.895 1.276 1.00 0.00 C ATOM 0 H ALA B 8 -1.894 8.374 1.459 1.00 0.00 H new ATOM 0 HA ALA B 8 -4.137 9.766 2.310 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -5.377 7.837 1.372 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -4.037 8.336 0.313 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -3.869 6.893 1.341 1.00 0.00 H new ATOM 1539 N ALA B 9 -3.401 7.200 4.216 1.00 0.00 N ATOM 1540 CA ALA B 9 -3.687 6.570 5.496 1.00 0.00 C ATOM 1541 C ALA B 9 -3.634 7.581 6.638 1.00 0.00 C ATOM 1542 O ALA B 9 -4.485 7.571 7.525 1.00 0.00 O ATOM 1543 CB ALA B 9 -2.705 5.438 5.750 1.00 0.00 C ATOM 0 H ALA B 9 -2.596 6.810 3.725 1.00 0.00 H new ATOM 0 HA ALA B 9 -4.698 6.166 5.455 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -2.927 4.972 6.710 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -2.793 4.695 4.957 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -1.689 5.834 5.765 1.00 0.00 H new ATOM 1549 N ASP B 10 -2.625 8.450 6.613 1.00 0.00 N ATOM 1550 CA ASP B 10 -2.459 9.465 7.651 1.00 0.00 C ATOM 1551 C ASP B 10 -3.660 10.406 7.691 1.00 0.00 C ATOM 1552 O ASP B 10 -4.243 10.641 8.750 1.00 0.00 O ATOM 1553 CB ASP B 10 -1.174 10.261 7.408 1.00 0.00 C ATOM 1554 CG ASP B 10 -0.905 11.288 8.493 1.00 0.00 C ATOM 1555 OD1 ASP B 10 -1.742 12.197 8.674 1.00 0.00 O ATOM 1556 OD2 ASP B 10 0.145 11.184 9.161 1.00 0.00 O ATOM 0 H ASP B 10 -1.910 8.471 5.885 1.00 0.00 H new ATOM 0 HA ASP B 10 -2.389 8.960 8.614 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.331 9.572 7.349 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -1.241 10.766 6.444 1.00 0.00 H new ATOM 1561 N TYR B 11 -4.024 10.937 6.529 1.00 0.00 N ATOM 1562 CA TYR B 11 -5.159 11.849 6.417 1.00 0.00 C ATOM 1563 C TYR B 11 -6.445 11.186 6.888 1.00 0.00 C ATOM 1564 O TYR B 11 -7.126 11.677 7.789 1.00 0.00 O ATOM 1565 CB TYR B 11 -5.331 12.282 4.960 1.00 0.00 C ATOM 1566 CG TYR B 11 -6.658 12.955 4.687 1.00 0.00 C ATOM 1567 CD1 TYR B 11 -6.864 14.285 5.025 1.00 0.00 C ATOM 1568 CD2 TYR B 11 -7.710 12.252 4.104 1.00 0.00 C ATOM 1569 CE1 TYR B 11 -8.076 14.901 4.787 1.00 0.00 C ATOM 1570 CE2 TYR B 11 -8.925 12.864 3.862 1.00 0.00 C ATOM 1571 CZ TYR B 11 -9.103 14.188 4.206 1.00 0.00 C ATOM 1572 OH TYR B 11 -10.313 14.801 3.969 1.00 0.00 O ATOM 0 H TYR B 11 -3.547 10.751 5.647 1.00 0.00 H new ATOM 0 HA TYR B 11 -4.958 12.715 7.048 1.00 0.00 H new ATOM 0 HB2 TYR B 11 -4.524 12.965 4.694 1.00 0.00 H new ATOM 0 HB3 TYR B 11 -5.235 11.408 4.315 1.00 0.00 H new ATOM 0 HD1 TYR B 11 -6.063 14.847 5.482 1.00 0.00 H new ATOM 0 HD2 TYR B 11 -7.574 11.214 3.837 1.00 0.00 H new ATOM 0 HE1 TYR B 11 -8.219 15.937 5.055 1.00 0.00 H new ATOM 0 HE2 TYR B 11 -9.731 12.309 3.406 1.00 0.00 H new ATOM 0 HH TYR B 11 -10.928 14.161 3.554 1.00 0.00 H new ATOM 1582 N LEU B 12 -6.771 10.079 6.242 1.00 0.00 N ATOM 1583 CA LEU B 12 -7.979 9.327 6.538 1.00 0.00 C ATOM 1584 C LEU B 12 -8.051 8.931 8.012 1.00 0.00 C ATOM 1585 O LEU B 12 -9.121 8.967 8.618 1.00 0.00 O ATOM 1586 CB LEU B 12 -8.024 8.090 5.646 1.00 0.00 C ATOM 1587 CG LEU B 12 -9.361 7.358 5.604 1.00 0.00 C ATOM 1588 CD1 LEU B 12 -10.429 8.243 4.978 1.00 0.00 C ATOM 1589 CD2 LEU B 12 -9.220 6.055 4.832 1.00 0.00 C ATOM 0 H LEU B 12 -6.204 9.676 5.496 1.00 0.00 H new ATOM 0 HA LEU B 12 -8.843 9.960 6.336 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -7.760 8.386 4.631 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -7.258 7.392 5.984 1.00 0.00 H new ATOM 0 HG LEU B 12 -9.667 7.124 6.624 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -11.378 7.707 4.955 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -10.540 9.152 5.569 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -10.135 8.504 3.961 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -10.181 5.540 4.808 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -8.898 6.269 3.813 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -8.481 5.421 5.321 1.00 0.00 H new ATOM 1601 N GLU B 13 -6.909 8.555 8.581 1.00 0.00 N ATOM 1602 CA GLU B 13 -6.854 8.154 9.984 1.00 0.00 C ATOM 1603 C GLU B 13 -7.311 9.292 10.891 1.00 0.00 C ATOM 1604 O GLU B 13 -6.647 10.350 10.893 1.00 0.00 O ATOM 1605 CB GLU B 13 -5.434 7.726 10.362 1.00 0.00 C ATOM 1606 CG GLU B 13 -5.303 7.261 11.803 1.00 0.00 C ATOM 1607 CD GLU B 13 -3.886 6.851 12.159 1.00 0.00 C ATOM 1608 OE1 GLU B 13 -2.979 7.704 12.058 1.00 0.00 O ATOM 1609 OE2 GLU B 13 -3.684 5.678 12.538 1.00 0.00 O ATOM 1610 OXT GLU B 13 -8.331 9.118 11.590 1.00 0.00 O ATOM 0 H GLU B 13 -6.013 8.520 8.095 1.00 0.00 H new ATOM 0 HA GLU B 13 -7.528 7.308 10.120 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -5.117 6.921 9.699 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -4.755 8.562 10.195 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -5.624 8.062 12.470 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -5.974 6.419 11.971 1.00 0.00 H new