USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot -155:sc= 0.853 USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.0967 X(o=0.76,f=0.75) USER MOD Set 2.1: A 19 LYS NZ :NH3+ 169:sc= 0.641 (180deg=-0.00838) USER MOD Set 2.2: A 35 THR OG1 : rot 170:sc= 0.583 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -152:sc= -0.0943 (180deg=-0.782) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 145:sc= -2.2 (180deg=-5.38!) USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= -0.0176 (180deg=-0.0379) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 MET CE :methyl 152:sc= -0.28 (180deg=-1.32) USER MOD Single : A 39 THR OG1 : rot 34:sc= 0.377 USER MOD Single : A 42 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HE2:sc= -1.72! X(o=-1.7!,f=-1.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -88:sc= 0.551 USER MOD Single : A 63 SER OG : rot -116:sc= -0.162 USER MOD Single : A 67 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.1!) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.216 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 142:sc= -0.448 (180deg=-1.72) USER MOD Single : A 80 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.017 0.714 -0.970 1.00 0.00 N ATOM 158 CA PHE A 14 13.823 -0.122 -0.976 1.00 0.00 C ATOM 159 C PHE A 14 14.180 -1.582 -0.713 1.00 0.00 C ATOM 160 O PHE A 14 15.319 -2.000 -0.922 1.00 0.00 O ATOM 161 CB PHE A 14 13.094 0.003 -2.316 1.00 0.00 C ATOM 162 CG PHE A 14 12.474 1.353 -2.536 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.264 2.487 -2.629 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.099 1.488 -2.650 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.696 3.731 -2.833 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.526 2.729 -2.854 1.00 0.00 C ATOM 167 CZ PHE A 14 11.325 3.852 -2.944 1.00 0.00 C ATOM 0 HA PHE A 14 13.165 0.222 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.797 -0.201 -3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.316 -0.759 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.337 2.398 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.469 0.614 -2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.324 4.607 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.454 2.821 -2.943 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.878 4.823 -3.101 1.00 0.00 H new ATOM 177 N GLN A 15 13.199 -2.352 -0.253 1.00 0.00 N ATOM 178 CA GLN A 15 13.410 -3.764 0.039 1.00 0.00 C ATOM 179 C GLN A 15 12.359 -4.627 -0.652 1.00 0.00 C ATOM 180 O GLN A 15 11.401 -4.113 -1.229 1.00 0.00 O ATOM 181 CB GLN A 15 13.372 -4.005 1.549 1.00 0.00 C ATOM 182 CG GLN A 15 14.386 -3.180 2.323 1.00 0.00 C ATOM 183 CD GLN A 15 14.337 -3.443 3.816 1.00 0.00 C ATOM 184 OE1 GLN A 15 13.330 -3.173 4.472 1.00 0.00 O ATOM 185 NE2 GLN A 15 15.426 -3.973 4.360 1.00 0.00 N ATOM 0 H GLN A 15 12.251 -2.021 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 15 14.392 -4.045 -0.343 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.372 -3.778 1.920 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.551 -5.062 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.387 -3.401 1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.204 -2.121 2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.238 -4.180 3.778 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.451 -4.173 5.360 1.00 0.00 H new ATOM 194 N LYS A 16 12.545 -5.941 -0.590 1.00 0.00 N ATOM 195 CA LYS A 16 11.614 -6.876 -1.210 1.00 0.00 C ATOM 196 C LYS A 16 10.645 -7.443 -0.177 1.00 0.00 C ATOM 197 O LYS A 16 10.979 -7.565 1.002 1.00 0.00 O ATOM 198 CB LYS A 16 12.378 -8.016 -1.887 1.00 0.00 C ATOM 199 CG LYS A 16 12.860 -7.677 -3.287 1.00 0.00 C ATOM 200 CD LYS A 16 14.136 -8.426 -3.634 1.00 0.00 C ATOM 201 CE LYS A 16 13.858 -9.891 -3.931 1.00 0.00 C ATOM 202 NZ LYS A 16 13.818 -10.711 -2.689 1.00 0.00 N ATOM 0 H LYS A 16 13.333 -6.383 -0.116 1.00 0.00 H new ATOM 0 HA LYS A 16 11.041 -6.334 -1.962 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.237 -8.283 -1.271 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.735 -8.895 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.083 -7.925 -4.010 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.035 -6.604 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.608 -7.961 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.841 -8.349 -2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.907 -9.981 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 16 14.628 -10.279 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.100 -11.688 -2.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.474 -10.311 -1.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.853 -10.708 -2.302 1.00 0.00 H new ATOM 216 N LYS A 17 9.443 -7.788 -0.626 1.00 0.00 N ATOM 217 CA LYS A 17 8.426 -8.345 0.258 1.00 0.00 C ATOM 218 C LYS A 17 7.907 -7.286 1.225 1.00 0.00 C ATOM 219 O LYS A 17 7.445 -7.606 2.320 1.00 0.00 O ATOM 220 CB LYS A 17 8.995 -9.531 1.040 1.00 0.00 C ATOM 221 CG LYS A 17 9.733 -10.535 0.171 1.00 0.00 C ATOM 222 CD LYS A 17 10.084 -11.793 0.948 1.00 0.00 C ATOM 223 CE LYS A 17 8.839 -12.577 1.332 1.00 0.00 C ATOM 224 NZ LYS A 17 9.145 -14.010 1.596 1.00 0.00 N ATOM 0 H LYS A 17 9.149 -7.692 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 17 7.594 -8.689 -0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.674 -9.158 1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.181 -10.039 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.116 -10.797 -0.688 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.644 -10.080 -0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.740 -12.422 0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.637 -11.524 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.389 -12.132 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.103 -12.504 0.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.270 -14.510 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.551 -14.442 0.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.828 -14.081 2.377 1.00 0.00 H new ATOM 238 N MET A 18 7.986 -6.025 0.813 1.00 0.00 N ATOM 239 CA MET A 18 7.522 -4.920 1.644 1.00 0.00 C ATOM 240 C MET A 18 6.305 -4.245 1.020 1.00 0.00 C ATOM 241 O MET A 18 5.806 -4.679 -0.019 1.00 0.00 O ATOM 242 CB MET A 18 8.642 -3.897 1.841 1.00 0.00 C ATOM 243 CG MET A 18 8.779 -2.917 0.687 1.00 0.00 C ATOM 244 SD MET A 18 9.897 -1.553 1.064 1.00 0.00 S ATOM 245 CE MET A 18 9.741 -0.566 -0.423 1.00 0.00 C ATOM 0 H MET A 18 8.367 -5.743 -0.090 1.00 0.00 H new ATOM 0 HA MET A 18 7.234 -5.324 2.615 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.457 -3.340 2.760 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.586 -4.425 1.973 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.142 -3.447 -0.194 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.796 -2.518 0.436 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.809 0.491 -0.167 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.542 -0.824 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.777 -0.764 -0.892 1.00 0.00 H new ATOM 255 N LYS A 19 5.830 -3.182 1.659 1.00 0.00 N ATOM 256 CA LYS A 19 4.672 -2.446 1.167 1.00 0.00 C ATOM 257 C LYS A 19 5.026 -0.985 0.908 1.00 0.00 C ATOM 258 O LYS A 19 5.917 -0.427 1.550 1.00 0.00 O ATOM 259 CB LYS A 19 3.522 -2.532 2.173 1.00 0.00 C ATOM 260 CG LYS A 19 2.867 -3.901 2.232 1.00 0.00 C ATOM 261 CD LYS A 19 2.282 -4.298 0.887 1.00 0.00 C ATOM 262 CE LYS A 19 1.474 -5.583 0.988 1.00 0.00 C ATOM 263 NZ LYS A 19 2.316 -6.788 0.747 1.00 0.00 N ATOM 0 H LYS A 19 6.230 -2.810 2.521 1.00 0.00 H new ATOM 0 HA LYS A 19 4.358 -2.898 0.226 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.897 -2.275 3.164 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.768 -1.788 1.915 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.602 -4.644 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.079 -3.896 2.985 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.646 -3.495 0.515 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.087 -4.429 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.019 -5.649 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.660 -5.558 0.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.782 -7.642 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.577 -6.834 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.178 -6.731 1.326 1.00 0.00 H new ATOM 277 N LEU A 20 4.322 -0.369 -0.036 1.00 0.00 N ATOM 278 CA LEU A 20 4.561 1.028 -0.379 1.00 0.00 C ATOM 279 C LEU A 20 3.427 1.579 -1.238 1.00 0.00 C ATOM 280 O LEU A 20 2.899 0.884 -2.105 1.00 0.00 O ATOM 281 CB LEU A 20 5.892 1.172 -1.118 1.00 0.00 C ATOM 282 CG LEU A 20 5.825 1.087 -2.644 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.623 2.469 -3.247 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.087 0.441 -3.198 1.00 0.00 C ATOM 0 H LEU A 20 3.581 -0.815 -0.577 1.00 0.00 H new ATOM 0 HA LEU A 20 4.603 1.602 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.334 2.131 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.569 0.396 -0.760 1.00 0.00 H new ATOM 0 HG LEU A 20 4.972 0.465 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.578 2.389 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.691 2.895 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.455 3.114 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.022 0.389 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.955 1.036 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.189 -0.565 -2.792 1.00 0.00 H new ATOM 296 N GLU A 21 3.060 2.833 -0.991 1.00 0.00 N ATOM 297 CA GLU A 21 1.990 3.477 -1.744 1.00 0.00 C ATOM 298 C GLU A 21 2.505 4.003 -3.080 1.00 0.00 C ATOM 299 O GLU A 21 3.307 4.936 -3.126 1.00 0.00 O ATOM 300 CB GLU A 21 1.384 4.624 -0.932 1.00 0.00 C ATOM 301 CG GLU A 21 0.627 4.162 0.302 1.00 0.00 C ATOM 302 CD GLU A 21 -0.174 5.276 0.947 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.486 6.263 0.249 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.488 5.161 2.150 1.00 0.00 O ATOM 0 H GLU A 21 3.487 3.422 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 21 1.219 2.732 -1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.181 5.302 -0.627 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.708 5.193 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.045 3.348 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.334 3.761 1.028 1.00 0.00 H new ATOM 311 N VAL A 22 2.038 3.397 -4.168 1.00 0.00 N ATOM 312 CA VAL A 22 2.450 3.804 -5.506 1.00 0.00 C ATOM 313 C VAL A 22 1.344 4.583 -6.209 1.00 0.00 C ATOM 314 O VAL A 22 0.161 4.396 -5.923 1.00 0.00 O ATOM 315 CB VAL A 22 2.834 2.587 -6.369 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.291 3.034 -7.749 1.00 0.00 C ATOM 317 CG2 VAL A 22 3.914 1.766 -5.681 1.00 0.00 C ATOM 0 H VAL A 22 1.374 2.623 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 22 3.323 4.446 -5.387 1.00 0.00 H new ATOM 0 HB VAL A 22 1.953 1.957 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.558 2.161 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.484 3.576 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.159 3.686 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.173 0.910 -6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.799 2.384 -5.527 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.545 1.414 -4.717 1.00 0.00 H new ATOM 327 N VAL A 23 1.736 5.456 -7.131 1.00 0.00 N ATOM 328 CA VAL A 23 0.778 6.263 -7.876 1.00 0.00 C ATOM 329 C VAL A 23 0.499 5.657 -9.247 1.00 0.00 C ATOM 330 O VAL A 23 1.398 5.538 -10.080 1.00 0.00 O ATOM 331 CB VAL A 23 1.281 7.707 -8.058 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.319 8.503 -8.927 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.472 8.379 -6.707 1.00 0.00 C ATOM 0 H VAL A 23 2.711 5.622 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.143 6.278 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 23 2.247 7.675 -8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.691 9.521 -9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.238 8.031 -9.906 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.663 8.528 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.828 9.399 -6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.522 8.400 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.204 7.821 -6.123 1.00 0.00 H new ATOM 343 N ASP A 24 -0.753 5.276 -9.476 1.00 0.00 N ATOM 344 CA ASP A 24 -1.152 4.684 -10.747 1.00 0.00 C ATOM 345 C ASP A 24 -0.778 5.595 -11.913 1.00 0.00 C ATOM 346 O ASP A 24 -1.389 6.644 -12.116 1.00 0.00 O ATOM 347 CB ASP A 24 -2.658 4.413 -10.758 1.00 0.00 C ATOM 348 CG ASP A 24 -3.069 3.473 -11.874 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.521 3.599 -12.989 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.937 2.609 -11.631 1.00 0.00 O ATOM 0 H ASP A 24 -1.509 5.367 -8.797 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.620 3.740 -10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.954 3.986 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.193 5.356 -10.866 1.00 0.00 H new ATOM 355 N LYS A 25 0.231 5.187 -12.675 1.00 0.00 N ATOM 356 CA LYS A 25 0.687 5.965 -13.821 1.00 0.00 C ATOM 357 C LYS A 25 -0.495 6.518 -14.609 1.00 0.00 C ATOM 358 O LYS A 25 -0.588 7.723 -14.844 1.00 0.00 O ATOM 359 CB LYS A 25 1.564 5.103 -14.732 1.00 0.00 C ATOM 360 CG LYS A 25 2.322 4.014 -13.994 1.00 0.00 C ATOM 361 CD LYS A 25 3.054 4.567 -12.782 1.00 0.00 C ATOM 362 CE LYS A 25 4.371 5.217 -13.176 1.00 0.00 C ATOM 363 NZ LYS A 25 4.754 6.307 -12.236 1.00 0.00 N ATOM 0 H LYS A 25 0.749 4.322 -12.520 1.00 0.00 H new ATOM 0 HA LYS A 25 1.275 6.803 -13.448 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.937 4.644 -15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.278 5.745 -15.248 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.627 3.237 -13.677 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.037 3.546 -14.670 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.423 5.298 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.242 3.763 -12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.157 4.462 -13.196 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.290 5.620 -14.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.774 6.494 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.224 7.170 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.532 6.019 -11.262 1.00 0.00 H new ATOM 377 N ARG A 26 -1.397 5.630 -15.015 1.00 0.00 N ATOM 378 CA ARG A 26 -2.574 6.030 -15.777 1.00 0.00 C ATOM 379 C ARG A 26 -3.475 6.941 -14.947 1.00 0.00 C ATOM 380 O ARG A 26 -4.185 7.788 -15.488 1.00 0.00 O ATOM 381 CB ARG A 26 -3.357 4.797 -16.231 1.00 0.00 C ATOM 382 CG ARG A 26 -2.502 3.548 -16.366 1.00 0.00 C ATOM 383 CD ARG A 26 -3.225 2.458 -17.141 1.00 0.00 C ATOM 384 NE ARG A 26 -3.593 2.895 -18.485 1.00 0.00 N ATOM 385 CZ ARG A 26 -3.979 2.064 -19.448 1.00 0.00 C ATOM 386 NH1 ARG A 26 -4.047 0.761 -19.215 1.00 0.00 N ATOM 387 NH2 ARG A 26 -4.298 2.538 -20.645 1.00 0.00 N ATOM 0 H ARG A 26 -1.335 4.629 -14.829 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.238 6.582 -16.655 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.158 4.603 -15.518 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.829 5.010 -17.190 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.569 3.797 -16.872 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.238 3.178 -15.375 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.587 1.577 -17.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.122 2.161 -16.598 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.552 3.892 -18.696 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.803 0.394 -18.295 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.343 0.125 -19.956 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.247 3.540 -20.827 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.594 1.900 -21.384 1.00 0.00 H new ATOM 401 N ASN A 27 -3.441 6.759 -13.631 1.00 0.00 N ATOM 402 CA ASN A 27 -4.255 7.563 -12.727 1.00 0.00 C ATOM 403 C ASN A 27 -3.406 8.141 -11.599 1.00 0.00 C ATOM 404 O ASN A 27 -3.211 7.520 -10.554 1.00 0.00 O ATOM 405 CB ASN A 27 -5.392 6.720 -12.144 1.00 0.00 C ATOM 406 CG ASN A 27 -6.647 6.775 -12.994 1.00 0.00 C ATOM 407 OD1 ASN A 27 -7.393 7.754 -12.956 1.00 0.00 O ATOM 408 ND2 ASN A 27 -6.886 5.721 -13.765 1.00 0.00 N ATOM 0 H ASN A 27 -2.859 6.062 -13.167 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.680 8.389 -13.298 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.063 5.685 -12.053 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.622 7.071 -11.138 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.716 5.701 -14.358 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.240 4.932 -13.764 1.00 0.00 H new ATOM 415 N PRO A 28 -2.889 9.360 -11.813 1.00 0.00 N ATOM 416 CA PRO A 28 -2.054 10.050 -10.826 1.00 0.00 C ATOM 417 C PRO A 28 -2.849 10.495 -9.603 1.00 0.00 C ATOM 418 O PRO A 28 -2.279 10.771 -8.548 1.00 0.00 O ATOM 419 CB PRO A 28 -1.528 11.266 -11.594 1.00 0.00 C ATOM 420 CG PRO A 28 -2.544 11.511 -12.655 1.00 0.00 C ATOM 421 CD PRO A 28 -3.081 10.159 -13.035 1.00 0.00 C ATOM 0 HA PRO A 28 -1.269 9.404 -10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.421 12.132 -10.940 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.546 11.069 -12.024 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.341 12.159 -12.290 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.097 12.009 -13.515 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -4.132 10.210 -13.321 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.540 9.735 -13.881 1.00 0.00 H new ATOM 429 N MET A 29 -4.168 10.561 -9.753 1.00 0.00 N ATOM 430 CA MET A 29 -5.041 10.971 -8.659 1.00 0.00 C ATOM 431 C MET A 29 -5.536 9.759 -7.875 1.00 0.00 C ATOM 432 O MET A 29 -6.490 9.855 -7.103 1.00 0.00 O ATOM 433 CB MET A 29 -6.231 11.765 -9.198 1.00 0.00 C ATOM 434 CG MET A 29 -7.177 10.937 -10.053 1.00 0.00 C ATOM 435 SD MET A 29 -8.159 11.946 -11.180 1.00 0.00 S ATOM 436 CE MET A 29 -6.873 12.665 -12.199 1.00 0.00 C ATOM 0 H MET A 29 -4.655 10.336 -10.620 1.00 0.00 H new ATOM 0 HA MET A 29 -4.465 11.606 -7.986 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.786 12.186 -8.360 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.861 12.603 -9.788 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.600 10.213 -10.629 1.00 0.00 H new ATOM 0 HG3 MET A 29 -7.844 10.370 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 29 -7.273 12.885 -13.189 1.00 0.00 H new ATOM 0 HE2 MET A 29 -6.516 13.586 -11.738 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.046 11.961 -12.291 1.00 0.00 H new ATOM 446 N PHE A 30 -4.881 8.621 -8.079 1.00 0.00 N ATOM 447 CA PHE A 30 -5.256 7.390 -7.393 1.00 0.00 C ATOM 448 C PHE A 30 -4.021 6.656 -6.880 1.00 0.00 C ATOM 449 O PHE A 30 -3.107 6.347 -7.645 1.00 0.00 O ATOM 450 CB PHE A 30 -6.052 6.480 -8.330 1.00 0.00 C ATOM 451 CG PHE A 30 -7.446 6.969 -8.601 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.682 7.920 -9.581 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.520 6.478 -7.876 1.00 0.00 C ATOM 454 CE1 PHE A 30 -8.964 8.372 -9.831 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.804 6.927 -8.122 1.00 0.00 C ATOM 456 CZ PHE A 30 -10.026 7.874 -9.102 1.00 0.00 C ATOM 0 H PHE A 30 -4.088 8.526 -8.714 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.880 7.655 -6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.517 6.389 -9.276 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.104 5.482 -7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.856 8.312 -10.155 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.352 5.736 -7.110 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.135 9.115 -10.596 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.632 6.538 -7.549 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.028 8.225 -9.298 1.00 0.00 H new ATOM 466 N ILE A 31 -4.002 6.379 -5.580 1.00 0.00 N ATOM 467 CA ILE A 31 -2.880 5.681 -4.965 1.00 0.00 C ATOM 468 C ILE A 31 -3.351 4.443 -4.210 1.00 0.00 C ATOM 469 O ILE A 31 -4.315 4.497 -3.447 1.00 0.00 O ATOM 470 CB ILE A 31 -2.110 6.597 -3.995 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.547 7.809 -4.742 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.992 5.825 -3.311 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.199 8.969 -3.836 1.00 0.00 C ATOM 0 H ILE A 31 -4.751 6.627 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.214 5.380 -5.774 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.800 6.953 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.655 7.506 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.276 8.141 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.458 6.486 -2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.415 4.991 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.301 5.443 -4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.806 9.792 -4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.093 9.299 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.446 8.653 -3.114 1.00 0.00 H new ATOM 485 N ARG A 32 -2.662 3.327 -4.427 1.00 0.00 N ATOM 486 CA ARG A 32 -3.009 2.074 -3.766 1.00 0.00 C ATOM 487 C ARG A 32 -1.769 1.412 -3.171 1.00 0.00 C ATOM 488 O ARG A 32 -0.647 1.878 -3.370 1.00 0.00 O ATOM 489 CB ARG A 32 -3.684 1.122 -4.755 1.00 0.00 C ATOM 490 CG ARG A 32 -5.000 1.648 -5.305 1.00 0.00 C ATOM 491 CD ARG A 32 -5.911 0.515 -5.748 1.00 0.00 C ATOM 492 NE ARG A 32 -7.089 1.006 -6.460 1.00 0.00 N ATOM 493 CZ ARG A 32 -8.179 0.276 -6.667 1.00 0.00 C ATOM 494 NH1 ARG A 32 -8.242 -0.970 -6.219 1.00 0.00 N ATOM 495 NH2 ARG A 32 -9.210 0.793 -7.323 1.00 0.00 N ATOM 0 H ARG A 32 -1.861 3.265 -5.055 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.703 2.299 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.003 0.931 -5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.862 0.166 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.502 2.243 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.804 2.310 -6.149 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.355 -0.166 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.227 -0.058 -4.876 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.073 1.961 -6.817 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.452 -1.371 -5.714 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.081 -1.528 -6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.166 1.752 -7.669 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.047 0.232 -7.482 1.00 0.00 H new ATOM 509 N VAL A 33 -1.981 0.322 -2.440 1.00 0.00 N ATOM 510 CA VAL A 33 -0.881 -0.405 -1.817 1.00 0.00 C ATOM 511 C VAL A 33 -0.110 -1.224 -2.846 1.00 0.00 C ATOM 512 O VAL A 33 -0.696 -1.789 -3.769 1.00 0.00 O ATOM 513 CB VAL A 33 -1.388 -1.344 -0.705 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.246 -2.183 -0.153 1.00 0.00 C ATOM 515 CG2 VAL A 33 -2.058 -0.544 0.402 1.00 0.00 C ATOM 0 H VAL A 33 -2.903 -0.077 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.217 0.340 -1.379 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.129 -2.020 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.623 -2.840 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.184 -2.784 -0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.520 -1.527 0.260 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.410 -1.222 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.341 0.157 0.830 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.904 0.008 -0.009 1.00 0.00 H new ATOM 525 N ALA A 34 1.207 -1.283 -2.680 1.00 0.00 N ATOM 526 CA ALA A 34 2.059 -2.035 -3.593 1.00 0.00 C ATOM 527 C ALA A 34 2.949 -3.013 -2.834 1.00 0.00 C ATOM 528 O ALA A 34 3.088 -2.924 -1.613 1.00 0.00 O ATOM 529 CB ALA A 34 2.905 -1.086 -4.428 1.00 0.00 C ATOM 0 H ALA A 34 1.707 -0.819 -1.922 1.00 0.00 H new ATOM 0 HA ALA A 34 1.416 -2.612 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.536 -1.661 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.253 -0.432 -5.007 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.532 -0.484 -3.771 1.00 0.00 H new ATOM 535 N THR A 35 3.553 -3.946 -3.563 1.00 0.00 N ATOM 536 CA THR A 35 4.429 -4.942 -2.958 1.00 0.00 C ATOM 537 C THR A 35 5.686 -5.149 -3.795 1.00 0.00 C ATOM 538 O THR A 35 5.632 -5.723 -4.883 1.00 0.00 O ATOM 539 CB THR A 35 3.710 -6.293 -2.788 1.00 0.00 C ATOM 540 OG1 THR A 35 2.482 -6.109 -2.075 1.00 0.00 O ATOM 541 CG2 THR A 35 4.591 -7.284 -2.042 1.00 0.00 C ATOM 0 H THR A 35 3.451 -4.033 -4.574 1.00 0.00 H new ATOM 0 HA THR A 35 4.709 -4.562 -1.975 1.00 0.00 H new ATOM 0 HB THR A 35 3.497 -6.693 -3.779 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.956 -6.935 -2.110 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.062 -8.231 -1.934 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.512 -7.445 -2.602 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.830 -6.887 -1.055 1.00 0.00 H new ATOM 549 N VAL A 36 6.818 -4.679 -3.281 1.00 0.00 N ATOM 550 CA VAL A 36 8.090 -4.815 -3.981 1.00 0.00 C ATOM 551 C VAL A 36 8.469 -6.282 -4.152 1.00 0.00 C ATOM 552 O VAL A 36 8.931 -6.928 -3.213 1.00 0.00 O ATOM 553 CB VAL A 36 9.222 -4.087 -3.233 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.496 -4.084 -4.065 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.802 -2.669 -2.880 1.00 0.00 C ATOM 0 H VAL A 36 6.880 -4.201 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 36 7.962 -4.359 -4.963 1.00 0.00 H new ATOM 0 HB VAL A 36 9.424 -4.622 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.285 -3.565 -3.520 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.805 -5.111 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.312 -3.574 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.614 -2.170 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.571 -2.120 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.919 -2.699 -2.242 1.00 0.00 H new ATOM 565 N ALA A 37 8.269 -6.801 -5.359 1.00 0.00 N ATOM 566 CA ALA A 37 8.592 -8.192 -5.655 1.00 0.00 C ATOM 567 C ALA A 37 10.089 -8.370 -5.888 1.00 0.00 C ATOM 568 O ALA A 37 10.713 -9.267 -5.320 1.00 0.00 O ATOM 569 CB ALA A 37 7.807 -8.669 -6.868 1.00 0.00 C ATOM 0 H ALA A 37 7.885 -6.280 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 37 8.310 -8.796 -4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.058 -9.709 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.739 -8.587 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.061 -8.053 -7.731 1.00 0.00 H new ATOM 575 N ASP A 38 10.659 -7.511 -6.726 1.00 0.00 N ATOM 576 CA ASP A 38 12.083 -7.574 -7.034 1.00 0.00 C ATOM 577 C ASP A 38 12.687 -6.174 -7.098 1.00 0.00 C ATOM 578 O ASP A 38 12.050 -5.232 -7.569 1.00 0.00 O ATOM 579 CB ASP A 38 12.309 -8.301 -8.360 1.00 0.00 C ATOM 580 CG ASP A 38 13.670 -8.964 -8.432 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.620 -8.439 -7.813 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.787 -10.007 -9.108 1.00 0.00 O ATOM 0 H ASP A 38 10.157 -6.763 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 38 12.578 -8.128 -6.236 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.533 -9.055 -8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.210 -7.592 -9.182 1.00 0.00 H new ATOM 587 N THR A 39 13.921 -6.045 -6.619 1.00 0.00 N ATOM 588 CA THR A 39 14.610 -4.761 -6.619 1.00 0.00 C ATOM 589 C THR A 39 15.818 -4.786 -7.549 1.00 0.00 C ATOM 590 O THR A 39 16.739 -5.581 -7.365 1.00 0.00 O ATOM 591 CB THR A 39 15.075 -4.373 -5.203 1.00 0.00 C ATOM 592 OG1 THR A 39 15.879 -5.419 -4.647 1.00 0.00 O ATOM 593 CG2 THR A 39 13.883 -4.106 -4.296 1.00 0.00 C ATOM 0 H THR A 39 14.463 -6.815 -6.226 1.00 0.00 H new ATOM 0 HA THR A 39 13.896 -4.019 -6.975 1.00 0.00 H new ATOM 0 HB THR A 39 15.667 -3.461 -5.277 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.391 -5.853 -5.361 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.236 -3.834 -3.301 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.289 -3.289 -4.706 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.268 -5.004 -4.230 1.00 0.00 H new ATOM 601 N ASP A 40 15.807 -3.910 -8.548 1.00 0.00 N ATOM 602 CA ASP A 40 16.903 -3.831 -9.507 1.00 0.00 C ATOM 603 C ASP A 40 17.931 -2.791 -9.072 1.00 0.00 C ATOM 604 O ASP A 40 17.807 -2.190 -8.005 1.00 0.00 O ATOM 605 CB ASP A 40 16.368 -3.487 -10.898 1.00 0.00 C ATOM 606 CG ASP A 40 17.247 -4.030 -12.007 1.00 0.00 C ATOM 607 OD1 ASP A 40 17.301 -5.267 -12.171 1.00 0.00 O ATOM 608 OD2 ASP A 40 17.881 -3.218 -12.712 1.00 0.00 O ATOM 0 H ASP A 40 15.052 -3.245 -8.715 1.00 0.00 H new ATOM 0 HA ASP A 40 17.391 -4.805 -9.545 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.361 -3.890 -11.007 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.291 -2.404 -10.997 1.00 0.00 H new ATOM 613 N ASP A 41 18.944 -2.584 -9.905 1.00 0.00 N ATOM 614 CA ASP A 41 19.994 -1.617 -9.607 1.00 0.00 C ATOM 615 C ASP A 41 19.396 -0.289 -9.154 1.00 0.00 C ATOM 616 O ASP A 41 19.692 0.197 -8.061 1.00 0.00 O ATOM 617 CB ASP A 41 20.880 -1.399 -10.835 1.00 0.00 C ATOM 618 CG ASP A 41 21.995 -2.422 -10.933 1.00 0.00 C ATOM 619 OD1 ASP A 41 21.841 -3.524 -10.366 1.00 0.00 O ATOM 620 OD2 ASP A 41 23.021 -2.121 -11.578 1.00 0.00 O ATOM 0 H ASP A 41 19.061 -3.073 -10.793 1.00 0.00 H new ATOM 0 HA ASP A 41 20.603 -2.017 -8.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.267 -1.447 -11.735 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.311 -0.399 -10.796 1.00 0.00 H new ATOM 625 N HIS A 42 18.555 0.296 -10.001 1.00 0.00 N ATOM 626 CA HIS A 42 17.915 1.569 -9.688 1.00 0.00 C ATOM 627 C HIS A 42 16.415 1.504 -9.955 1.00 0.00 C ATOM 628 O HIS A 42 15.799 2.498 -10.339 1.00 0.00 O ATOM 629 CB HIS A 42 18.543 2.695 -10.510 1.00 0.00 C ATOM 630 CG HIS A 42 19.985 2.462 -10.841 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.020 3.104 -10.194 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.563 1.650 -11.757 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.171 2.699 -10.699 1.00 0.00 C ATOM 634 NE2 HIS A 42 21.922 1.816 -11.649 1.00 0.00 N ATOM 0 H HIS A 42 18.301 -0.091 -10.910 1.00 0.00 H new ATOM 0 HA HIS A 42 18.068 1.773 -8.628 1.00 0.00 H new ATOM 0 HB2 HIS A 42 17.981 2.815 -11.436 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.452 3.631 -9.959 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.051 0.994 -12.445 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.150 3.033 -10.388 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.625 1.336 -12.211 1.00 0.00 H new ATOM 643 N ARG A 43 15.833 0.326 -9.752 1.00 0.00 N ATOM 644 CA ARG A 43 14.405 0.131 -9.973 1.00 0.00 C ATOM 645 C ARG A 43 13.841 -0.904 -9.004 1.00 0.00 C ATOM 646 O ARG A 43 14.585 -1.543 -8.260 1.00 0.00 O ATOM 647 CB ARG A 43 14.147 -0.310 -11.415 1.00 0.00 C ATOM 648 CG ARG A 43 14.739 0.627 -12.454 1.00 0.00 C ATOM 649 CD ARG A 43 14.020 0.505 -13.789 1.00 0.00 C ATOM 650 NE ARG A 43 14.530 -0.608 -14.586 1.00 0.00 N ATOM 651 CZ ARG A 43 14.238 -0.787 -15.869 1.00 0.00 C ATOM 652 NH1 ARG A 43 13.442 0.068 -16.497 1.00 0.00 N ATOM 653 NH2 ARG A 43 14.741 -1.824 -16.527 1.00 0.00 N ATOM 0 H ARG A 43 16.328 -0.507 -9.435 1.00 0.00 H new ATOM 0 HA ARG A 43 13.902 1.081 -9.795 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.561 -1.308 -11.560 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.072 -0.384 -11.576 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.674 1.655 -12.097 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.797 0.402 -12.588 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.953 0.367 -13.615 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.134 1.434 -14.348 1.00 0.00 H new ATOM 0 HE ARG A 43 15.144 -1.285 -14.132 1.00 0.00 H new ATOM 0 HH11 ARG A 43 13.052 0.866 -15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 43 13.219 -0.072 -17.483 1.00 0.00 H new ATOM 0 HH21 ARG A 43 15.353 -2.484 -16.047 1.00 0.00 H new ATOM 0 HH22 ARG A 43 14.516 -1.961 -17.512 1.00 0.00 H new ATOM 667 N VAL A 44 12.521 -1.062 -9.018 1.00 0.00 N ATOM 668 CA VAL A 44 11.857 -2.020 -8.141 1.00 0.00 C ATOM 669 C VAL A 44 10.479 -2.391 -8.676 1.00 0.00 C ATOM 670 O VAL A 44 9.596 -1.540 -8.794 1.00 0.00 O ATOM 671 CB VAL A 44 11.708 -1.463 -6.713 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.073 -1.284 -6.064 1.00 0.00 C ATOM 673 CG2 VAL A 44 10.941 -0.149 -6.731 1.00 0.00 C ATOM 0 H VAL A 44 11.891 -0.540 -9.626 1.00 0.00 H new ATOM 0 HA VAL A 44 12.484 -2.911 -8.112 1.00 0.00 H new ATOM 0 HB VAL A 44 11.141 -2.180 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.948 -0.890 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.582 -2.247 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.668 -0.587 -6.655 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.845 0.230 -5.714 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.479 0.578 -7.340 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.949 -0.312 -7.152 1.00 0.00 H new ATOM 683 N LYS A 45 10.300 -3.667 -9.000 1.00 0.00 N ATOM 684 CA LYS A 45 9.028 -4.154 -9.521 1.00 0.00 C ATOM 685 C LYS A 45 7.937 -4.071 -8.459 1.00 0.00 C ATOM 686 O LYS A 45 7.918 -4.857 -7.512 1.00 0.00 O ATOM 687 CB LYS A 45 9.172 -5.597 -10.008 1.00 0.00 C ATOM 688 CG LYS A 45 8.033 -6.054 -10.903 1.00 0.00 C ATOM 689 CD LYS A 45 8.414 -7.285 -11.707 1.00 0.00 C ATOM 690 CE LYS A 45 7.528 -7.448 -12.932 1.00 0.00 C ATOM 691 NZ LYS A 45 7.954 -8.598 -13.776 1.00 0.00 N ATOM 0 H LYS A 45 11.021 -4.383 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 45 8.742 -3.521 -10.361 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.112 -5.696 -10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.232 -6.259 -9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.156 -6.273 -10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.756 -5.247 -11.581 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.456 -7.209 -12.018 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.333 -8.171 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 45 6.495 -7.593 -12.616 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.555 -6.533 -13.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.325 -8.675 -14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.931 -8.449 -14.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.904 -9.475 -13.219 1.00 0.00 H new ATOM 705 N VAL A 46 7.029 -3.114 -8.624 1.00 0.00 N ATOM 706 CA VAL A 46 5.932 -2.931 -7.680 1.00 0.00 C ATOM 707 C VAL A 46 4.688 -3.689 -8.129 1.00 0.00 C ATOM 708 O VAL A 46 4.148 -3.435 -9.206 1.00 0.00 O ATOM 709 CB VAL A 46 5.580 -1.441 -7.513 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.657 -0.723 -6.713 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.385 -0.784 -8.871 1.00 0.00 C ATOM 0 H VAL A 46 7.031 -2.454 -9.402 1.00 0.00 H new ATOM 0 HA VAL A 46 6.268 -3.327 -6.722 1.00 0.00 H new ATOM 0 HB VAL A 46 4.643 -1.367 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.390 0.328 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.742 -1.178 -5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.611 -0.804 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.137 0.268 -8.734 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.304 -0.867 -9.451 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.574 -1.282 -9.403 1.00 0.00 H new ATOM 721 N HIS A 47 4.237 -4.621 -7.296 1.00 0.00 N ATOM 722 CA HIS A 47 3.055 -5.417 -7.606 1.00 0.00 C ATOM 723 C HIS A 47 1.864 -4.972 -6.762 1.00 0.00 C ATOM 724 O HIS A 47 1.894 -5.059 -5.534 1.00 0.00 O ATOM 725 CB HIS A 47 3.336 -6.901 -7.371 1.00 0.00 C ATOM 726 CG HIS A 47 2.098 -7.737 -7.268 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.738 -8.668 -8.219 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.134 -7.779 -6.319 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.605 -9.246 -7.859 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.218 -8.724 -6.709 1.00 0.00 N ATOM 0 H HIS A 47 4.672 -4.844 -6.401 1.00 0.00 H new ATOM 0 HA HIS A 47 2.810 -5.264 -8.657 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.953 -7.279 -8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.916 -7.012 -6.455 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.264 -8.878 -9.068 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.093 -7.180 -5.421 1.00 0.00 H new ATOM 0 HE1 HIS A 47 0.084 -10.014 -8.411 1.00 0.00 H new ATOM 739 N PHE A 48 0.817 -4.496 -7.428 1.00 0.00 N ATOM 740 CA PHE A 48 -0.383 -4.037 -6.738 1.00 0.00 C ATOM 741 C PHE A 48 -1.219 -5.218 -6.255 1.00 0.00 C ATOM 742 O PHE A 48 -1.858 -5.907 -7.051 1.00 0.00 O ATOM 743 CB PHE A 48 -1.219 -3.150 -7.663 1.00 0.00 C ATOM 744 CG PHE A 48 -0.689 -1.750 -7.792 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.604 -1.523 -8.232 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.485 -0.662 -7.472 1.00 0.00 C ATOM 747 CE1 PHE A 48 1.095 -0.237 -8.352 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.000 0.627 -7.591 1.00 0.00 C ATOM 749 CZ PHE A 48 0.292 0.840 -8.030 1.00 0.00 C ATOM 0 H PHE A 48 0.775 -4.418 -8.444 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.073 -3.456 -5.869 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.260 -3.607 -8.652 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.242 -3.110 -7.288 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.236 -2.361 -8.484 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.495 -0.823 -7.126 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.105 -0.074 -8.697 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.631 1.467 -7.341 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.674 1.846 -8.121 1.00 0.00 H new ATOM 759 N ASP A 49 -1.208 -5.447 -4.947 1.00 0.00 N ATOM 760 CA ASP A 49 -1.965 -6.545 -4.356 1.00 0.00 C ATOM 761 C ASP A 49 -3.366 -6.623 -4.955 1.00 0.00 C ATOM 762 O ASP A 49 -4.088 -5.627 -5.003 1.00 0.00 O ATOM 763 CB ASP A 49 -2.054 -6.373 -2.839 1.00 0.00 C ATOM 764 CG ASP A 49 -2.641 -7.590 -2.152 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.891 -8.564 -1.927 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.849 -7.570 -1.838 1.00 0.00 O ATOM 0 H ASP A 49 -0.683 -4.887 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.442 -7.475 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.059 -6.178 -2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.665 -5.500 -2.610 1.00 0.00 H new ATOM 771 N GLY A 50 -3.744 -7.813 -5.411 1.00 0.00 N ATOM 772 CA GLY A 50 -5.056 -7.998 -6.002 1.00 0.00 C ATOM 773 C GLY A 50 -5.055 -7.771 -7.501 1.00 0.00 C ATOM 774 O GLY A 50 -5.663 -8.534 -8.252 1.00 0.00 O ATOM 0 H GLY A 50 -3.165 -8.652 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.407 -9.008 -5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.762 -7.311 -5.534 1.00 0.00 H new ATOM 778 N TRP A 51 -4.372 -6.719 -7.937 1.00 0.00 N ATOM 779 CA TRP A 51 -4.296 -6.393 -9.357 1.00 0.00 C ATOM 780 C TRP A 51 -3.625 -7.516 -10.139 1.00 0.00 C ATOM 781 O TRP A 51 -2.758 -8.216 -9.616 1.00 0.00 O ATOM 782 CB TRP A 51 -3.530 -5.084 -9.560 1.00 0.00 C ATOM 783 CG TRP A 51 -4.237 -3.889 -8.997 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.949 -3.830 -7.833 1.00 0.00 C ATOM 785 CD2 TRP A 51 -4.300 -2.580 -9.574 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.452 -2.564 -7.653 1.00 0.00 N ATOM 787 CE2 TRP A 51 -5.067 -1.778 -8.707 1.00 0.00 C ATOM 788 CE3 TRP A 51 -3.782 -2.007 -10.739 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -5.327 -0.436 -8.969 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -4.041 -0.675 -10.998 1.00 0.00 C ATOM 791 CH2 TRP A 51 -4.807 0.099 -10.116 1.00 0.00 C ATOM 0 H TRP A 51 -3.863 -6.077 -7.329 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.313 -6.273 -9.732 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.549 -5.170 -9.094 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.364 -4.930 -10.626 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -5.095 -4.657 -7.154 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.020 -2.259 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.190 -2.595 -11.424 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.918 0.162 -8.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -3.646 -0.222 -11.896 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.991 1.138 -10.346 1.00 0.00 H new ATOM 841 N TYR A 55 -0.448 -6.028 -14.702 1.00 0.00 N ATOM 842 CA TYR A 55 -0.327 -4.627 -14.313 1.00 0.00 C ATOM 843 C TYR A 55 1.087 -4.316 -13.830 1.00 0.00 C ATOM 844 O TYR A 55 1.668 -3.294 -14.193 1.00 0.00 O ATOM 845 CB TYR A 55 -1.338 -4.292 -13.216 1.00 0.00 C ATOM 846 CG TYR A 55 -2.759 -4.169 -13.719 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.172 -3.046 -14.426 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.688 -5.176 -13.488 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.469 -2.929 -14.887 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.987 -5.069 -13.947 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.372 -3.943 -14.645 1.00 0.00 C ATOM 852 OH TYR A 55 -6.665 -3.832 -15.102 1.00 0.00 O ATOM 0 HA TYR A 55 -0.535 -4.013 -15.189 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.299 -5.065 -12.449 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.048 -3.356 -12.740 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.467 -2.251 -14.618 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.390 -6.058 -12.940 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.774 -2.049 -15.434 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.696 -5.862 -13.761 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.171 -4.632 -14.849 1.00 0.00 H new ATOM 862 N ASP A 56 1.633 -5.207 -13.010 1.00 0.00 N ATOM 863 CA ASP A 56 2.979 -5.030 -12.477 1.00 0.00 C ATOM 864 C ASP A 56 3.900 -4.408 -13.522 1.00 0.00 C ATOM 865 O ASP A 56 3.838 -4.751 -14.703 1.00 0.00 O ATOM 866 CB ASP A 56 3.548 -6.372 -12.013 1.00 0.00 C ATOM 867 CG ASP A 56 2.548 -7.177 -11.206 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.587 -6.575 -10.682 1.00 0.00 O ATOM 869 OD2 ASP A 56 2.726 -8.408 -11.098 1.00 0.00 O ATOM 0 H ASP A 56 1.165 -6.059 -12.700 1.00 0.00 H new ATOM 0 HA ASP A 56 2.919 -4.355 -11.623 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.859 -6.951 -12.882 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.439 -6.197 -11.411 1.00 0.00 H new ATOM 874 N TYR A 57 4.753 -3.490 -13.080 1.00 0.00 N ATOM 875 CA TYR A 57 5.684 -2.817 -13.977 1.00 0.00 C ATOM 876 C TYR A 57 6.939 -2.375 -13.229 1.00 0.00 C ATOM 877 O TYR A 57 6.900 -2.124 -12.025 1.00 0.00 O ATOM 878 CB TYR A 57 5.013 -1.607 -14.629 1.00 0.00 C ATOM 879 CG TYR A 57 4.223 -0.758 -13.659 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.850 -0.103 -12.607 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.848 -0.610 -13.796 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.132 0.673 -11.718 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.122 0.166 -12.913 1.00 0.00 C ATOM 884 CZ TYR A 57 2.768 0.805 -11.876 1.00 0.00 C ATOM 885 OH TYR A 57 2.049 1.578 -10.993 1.00 0.00 O ATOM 0 H TYR A 57 4.819 -3.195 -12.106 1.00 0.00 H new ATOM 0 HA TYR A 57 5.976 -3.524 -14.753 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.777 -0.989 -15.101 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.349 -1.953 -15.421 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.918 -0.202 -12.482 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.338 -1.110 -14.606 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.636 1.173 -10.904 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.054 0.271 -13.034 1.00 0.00 H new ATOM 0 HH TYR A 57 1.777 1.032 -10.226 1.00 0.00 H new ATOM 895 N TRP A 58 8.049 -2.283 -13.953 1.00 0.00 N ATOM 896 CA TRP A 58 9.315 -1.871 -13.359 1.00 0.00 C ATOM 897 C TRP A 58 9.349 -0.362 -13.140 1.00 0.00 C ATOM 898 O TRP A 58 9.480 0.409 -14.091 1.00 0.00 O ATOM 899 CB TRP A 58 10.483 -2.295 -14.251 1.00 0.00 C ATOM 900 CG TRP A 58 10.976 -3.681 -13.965 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.803 -4.790 -14.744 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.721 -4.106 -12.819 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.395 -5.878 -14.150 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.966 -5.485 -12.969 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.207 -3.456 -11.681 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.674 -6.222 -12.023 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.909 -4.189 -10.744 1.00 0.00 C ATOM 908 CH2 TRP A 58 13.138 -5.560 -10.919 1.00 0.00 C ATOM 0 H TRP A 58 8.098 -2.488 -14.951 1.00 0.00 H new ATOM 0 HA TRP A 58 9.409 -2.362 -12.391 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.174 -2.235 -15.295 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.305 -1.591 -14.121 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.278 -4.809 -15.688 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.407 -6.825 -14.528 1.00 0.00 H new ATOM 0 HE3 TRP A 58 12.037 -2.399 -11.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.851 -7.279 -12.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.288 -3.696 -9.861 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.691 -6.105 -10.168 1.00 0.00 H new ATOM 919 N ILE A 59 9.230 0.052 -11.883 1.00 0.00 N ATOM 920 CA ILE A 59 9.248 1.469 -11.541 1.00 0.00 C ATOM 921 C ILE A 59 10.534 1.842 -10.811 1.00 0.00 C ATOM 922 O ILE A 59 11.033 1.079 -9.983 1.00 0.00 O ATOM 923 CB ILE A 59 8.042 1.852 -10.663 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.864 3.371 -10.638 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.222 1.311 -9.253 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.531 3.814 -10.076 1.00 0.00 C ATOM 0 H ILE A 59 9.120 -0.573 -11.085 1.00 0.00 H new ATOM 0 HA ILE A 59 9.193 2.021 -12.479 1.00 0.00 H new ATOM 0 HB ILE A 59 7.143 1.407 -11.090 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.664 3.813 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.968 3.758 -11.652 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.362 1.589 -8.644 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.305 0.225 -9.288 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.128 1.731 -8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.474 4.902 -10.089 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.725 3.402 -10.683 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.432 3.458 -9.051 1.00 0.00 H new ATOM 938 N ASP A 60 11.064 3.020 -11.121 1.00 0.00 N ATOM 939 CA ASP A 60 12.290 3.496 -10.492 1.00 0.00 C ATOM 940 C ASP A 60 12.104 3.649 -8.986 1.00 0.00 C ATOM 941 O ASP A 60 11.152 4.282 -8.529 1.00 0.00 O ATOM 942 CB ASP A 60 12.717 4.831 -11.104 1.00 0.00 C ATOM 943 CG ASP A 60 13.147 4.693 -12.552 1.00 0.00 C ATOM 944 OD1 ASP A 60 14.063 3.889 -12.825 1.00 0.00 O ATOM 945 OD2 ASP A 60 12.566 5.387 -13.411 1.00 0.00 O ATOM 0 H ASP A 60 10.664 3.663 -11.804 1.00 0.00 H new ATOM 0 HA ASP A 60 13.071 2.757 -10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.890 5.538 -11.039 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.539 5.248 -10.522 1.00 0.00 H new ATOM 950 N ALA A 61 13.019 3.066 -8.219 1.00 0.00 N ATOM 951 CA ALA A 61 12.956 3.138 -6.765 1.00 0.00 C ATOM 952 C ALA A 61 13.106 4.576 -6.280 1.00 0.00 C ATOM 953 O ALA A 61 12.677 4.918 -5.178 1.00 0.00 O ATOM 954 CB ALA A 61 14.030 2.256 -6.145 1.00 0.00 C ATOM 0 H ALA A 61 13.813 2.538 -8.581 1.00 0.00 H new ATOM 0 HA ALA A 61 11.977 2.775 -6.450 1.00 0.00 H new ATOM 0 HB1 ALA A 61 13.971 2.320 -5.058 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.877 1.223 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.013 2.593 -6.475 1.00 0.00 H new ATOM 960 N ASP A 62 13.718 5.414 -7.109 1.00 0.00 N ATOM 961 CA ASP A 62 13.924 6.816 -6.765 1.00 0.00 C ATOM 962 C ASP A 62 12.893 7.703 -7.456 1.00 0.00 C ATOM 963 O ASP A 62 13.082 8.913 -7.577 1.00 0.00 O ATOM 964 CB ASP A 62 15.337 7.257 -7.153 1.00 0.00 C ATOM 965 CG ASP A 62 15.529 7.325 -8.656 1.00 0.00 C ATOM 966 OD1 ASP A 62 15.712 6.258 -9.279 1.00 0.00 O ATOM 967 OD2 ASP A 62 15.498 8.444 -9.208 1.00 0.00 O ATOM 0 H ASP A 62 14.080 5.147 -8.024 1.00 0.00 H new ATOM 0 HA ASP A 62 13.802 6.921 -5.687 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.541 8.236 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 62 16.061 6.562 -6.728 1.00 0.00 H new ATOM 972 N SER A 63 11.803 7.092 -7.909 1.00 0.00 N ATOM 973 CA SER A 63 10.744 7.825 -8.593 1.00 0.00 C ATOM 974 C SER A 63 9.927 8.649 -7.603 1.00 0.00 C ATOM 975 O SER A 63 9.655 8.226 -6.480 1.00 0.00 O ATOM 976 CB SER A 63 9.829 6.857 -9.346 1.00 0.00 C ATOM 977 OG SER A 63 9.086 7.532 -10.347 1.00 0.00 O ATOM 0 H SER A 63 11.630 6.091 -7.815 1.00 0.00 H new ATOM 0 HA SER A 63 11.209 8.504 -9.307 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.426 6.067 -9.802 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.147 6.376 -8.645 1.00 0.00 H new ATOM 0 HG SER A 63 8.131 7.488 -10.131 1.00 0.00 H new ATOM 983 N PRO A 64 9.527 9.857 -8.028 1.00 0.00 N ATOM 984 CA PRO A 64 8.734 10.766 -7.196 1.00 0.00 C ATOM 985 C PRO A 64 7.312 10.262 -6.978 1.00 0.00 C ATOM 986 O PRO A 64 6.641 10.661 -6.025 1.00 0.00 O ATOM 987 CB PRO A 64 8.723 12.067 -8.003 1.00 0.00 C ATOM 988 CG PRO A 64 8.927 11.638 -9.415 1.00 0.00 C ATOM 989 CD PRO A 64 9.815 10.426 -9.355 1.00 0.00 C ATOM 0 HA PRO A 64 9.153 10.872 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.779 12.599 -7.883 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.514 12.742 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.976 11.402 -9.892 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.389 12.432 -10.001 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.586 9.720 -10.153 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.867 10.693 -9.458 1.00 0.00 H new ATOM 997 N ASP A 65 6.858 9.384 -7.865 1.00 0.00 N ATOM 998 CA ASP A 65 5.515 8.824 -7.768 1.00 0.00 C ATOM 999 C ASP A 65 5.433 7.801 -6.640 1.00 0.00 C ATOM 1000 O ASP A 65 4.403 7.676 -5.976 1.00 0.00 O ATOM 1001 CB ASP A 65 5.114 8.174 -9.093 1.00 0.00 C ATOM 1002 CG ASP A 65 5.769 8.841 -10.287 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.512 10.042 -10.511 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.540 8.161 -10.996 1.00 0.00 O ATOM 0 H ASP A 65 7.400 9.044 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 65 4.824 9.637 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.388 7.119 -9.074 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.031 8.220 -9.204 1.00 0.00 H new ATOM 1009 N ILE A 66 6.523 7.070 -6.430 1.00 0.00 N ATOM 1010 CA ILE A 66 6.573 6.058 -5.383 1.00 0.00 C ATOM 1011 C ILE A 66 6.505 6.695 -3.999 1.00 0.00 C ATOM 1012 O ILE A 66 7.290 7.587 -3.676 1.00 0.00 O ATOM 1013 CB ILE A 66 7.854 5.208 -5.482 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.801 4.309 -6.720 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.036 4.374 -4.223 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.100 3.586 -6.997 1.00 0.00 C ATOM 0 H ILE A 66 7.383 7.160 -6.971 1.00 0.00 H new ATOM 0 HA ILE A 66 5.706 5.413 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 66 8.709 5.877 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.006 3.575 -6.592 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.539 4.914 -7.588 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.945 3.779 -4.309 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.114 5.033 -3.358 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.180 3.711 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.990 2.968 -7.888 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.895 4.314 -7.157 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.353 2.954 -6.146 1.00 0.00 H new ATOM 1028 N HIS A 67 5.564 6.229 -3.185 1.00 0.00 N ATOM 1029 CA HIS A 67 5.395 6.751 -1.833 1.00 0.00 C ATOM 1030 C HIS A 67 5.357 5.617 -0.813 1.00 0.00 C ATOM 1031 O HIS A 67 4.813 4.542 -1.065 1.00 0.00 O ATOM 1032 CB HIS A 67 4.113 7.580 -1.741 1.00 0.00 C ATOM 1033 CG HIS A 67 4.086 8.748 -2.677 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.952 9.817 -2.572 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.293 9.012 -3.741 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.691 10.688 -3.530 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.688 10.223 -4.254 1.00 0.00 N ATOM 0 H HIS A 67 4.907 5.491 -3.437 1.00 0.00 H new ATOM 0 HA HIS A 67 6.249 7.390 -1.607 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.258 6.937 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.996 7.941 -0.719 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.497 8.386 -4.117 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.209 11.621 -3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.275 10.688 -5.062 1.00 0.00 H new ATOM 1046 N PRO A 68 5.947 5.861 0.366 1.00 0.00 N ATOM 1047 CA PRO A 68 5.994 4.873 1.448 1.00 0.00 C ATOM 1048 C PRO A 68 4.625 4.632 2.073 1.00 0.00 C ATOM 1049 O PRO A 68 3.709 5.439 1.915 1.00 0.00 O ATOM 1050 CB PRO A 68 6.943 5.507 2.467 1.00 0.00 C ATOM 1051 CG PRO A 68 6.848 6.972 2.213 1.00 0.00 C ATOM 1052 CD PRO A 68 6.615 7.121 0.735 1.00 0.00 C ATOM 0 HA PRO A 68 6.320 3.895 1.093 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.649 5.262 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.963 5.148 2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.032 7.415 2.783 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.763 7.481 2.517 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.991 7.987 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.551 7.254 0.192 1.00 0.00 H new ATOM 1060 N VAL A 69 4.491 3.516 2.783 1.00 0.00 N ATOM 1061 CA VAL A 69 3.233 3.170 3.433 1.00 0.00 C ATOM 1062 C VAL A 69 2.848 4.214 4.475 1.00 0.00 C ATOM 1063 O VAL A 69 3.396 4.238 5.576 1.00 0.00 O ATOM 1064 CB VAL A 69 3.313 1.789 4.110 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.156 1.602 5.081 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.327 0.683 3.066 1.00 0.00 C ATOM 0 H VAL A 69 5.239 2.836 2.922 1.00 0.00 H new ATOM 0 HA VAL A 69 2.471 3.141 2.654 1.00 0.00 H new ATOM 0 HB VAL A 69 4.243 1.735 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.229 0.621 5.550 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.197 2.375 5.849 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.212 1.677 4.541 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.384 -0.286 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.415 0.733 2.471 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.192 0.808 2.415 1.00 0.00 H new ATOM 1076 N GLY A 70 1.899 5.075 4.120 1.00 0.00 N ATOM 1077 CA GLY A 70 1.456 6.109 5.036 1.00 0.00 C ATOM 1078 C GLY A 70 1.573 7.499 4.442 1.00 0.00 C ATOM 1079 O GLY A 70 1.440 8.497 5.150 1.00 0.00 O ATOM 0 H GLY A 70 1.429 5.075 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.419 5.923 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.047 6.057 5.951 1.00 0.00 H new ATOM 1083 N TRP A 71 1.825 7.564 3.140 1.00 0.00 N ATOM 1084 CA TRP A 71 1.963 8.843 2.451 1.00 0.00 C ATOM 1085 C TRP A 71 0.613 9.542 2.327 1.00 0.00 C ATOM 1086 O TRP A 71 0.547 10.732 2.017 1.00 0.00 O ATOM 1087 CB TRP A 71 2.574 8.635 1.065 1.00 0.00 C ATOM 1088 CG TRP A 71 2.357 9.795 0.140 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.289 10.710 -0.260 1.00 0.00 C ATOM 1090 CD2 TRP A 71 1.129 10.165 -0.497 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.714 11.626 -1.108 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.390 11.314 -1.270 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.165 9.637 -0.491 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.405 11.941 -2.027 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.142 10.262 -1.243 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -0.853 11.403 -2.003 1.00 0.00 C ATOM 0 H TRP A 71 1.938 6.747 2.540 1.00 0.00 H new ATOM 0 HA TRP A 71 2.626 9.476 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.644 8.459 1.170 1.00 0.00 H new ATOM 0 HB3 TRP A 71 2.146 7.738 0.618 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.325 10.713 0.045 1.00 0.00 H new ATOM 0 HE1 TRP A 71 3.195 12.411 -1.546 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.397 8.757 0.090 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.626 12.821 -2.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.146 9.864 -1.245 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.638 11.867 -2.581 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.459 8.796 2.569 1.00 0.00 N ATOM 1108 CA CYS A 72 -1.807 9.345 2.483 1.00 0.00 C ATOM 1109 C CYS A 72 -2.046 10.375 3.583 1.00 0.00 C ATOM 1110 O CYS A 72 -2.760 11.358 3.382 1.00 0.00 O ATOM 1111 CB CYS A 72 -2.844 8.225 2.583 1.00 0.00 C ATOM 1112 SG CYS A 72 -2.860 7.375 4.179 1.00 0.00 S ATOM 0 H CYS A 72 -0.421 7.810 2.826 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.910 9.840 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.833 8.643 2.396 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.652 7.495 1.797 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.770 6.447 4.167 1.00 0.00 H new ATOM 1118 N SER A 73 -1.445 10.142 4.745 1.00 0.00 N ATOM 1119 CA SER A 73 -1.597 11.047 5.879 1.00 0.00 C ATOM 1120 C SER A 73 -0.737 12.294 5.698 1.00 0.00 C ATOM 1121 O SER A 73 -1.205 13.418 5.880 1.00 0.00 O ATOM 1122 CB SER A 73 -1.218 10.337 7.180 1.00 0.00 C ATOM 1123 OG SER A 73 -1.719 11.034 8.307 1.00 0.00 O ATOM 0 H SER A 73 -0.848 9.335 4.926 1.00 0.00 H new ATOM 0 HA SER A 73 -2.642 11.352 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.613 9.321 7.172 1.00 0.00 H new ATOM 0 HB3 SER A 73 -0.133 10.257 7.251 1.00 0.00 H new ATOM 0 HG SER A 73 -1.464 10.559 9.125 1.00 0.00 H new ATOM 1129 N LYS A 74 0.525 12.087 5.337 1.00 0.00 N ATOM 1130 CA LYS A 74 1.453 13.192 5.129 1.00 0.00 C ATOM 1131 C LYS A 74 0.790 14.320 4.345 1.00 0.00 C ATOM 1132 O LYS A 74 0.541 15.400 4.882 1.00 0.00 O ATOM 1133 CB LYS A 74 2.700 12.706 4.387 1.00 0.00 C ATOM 1134 CG LYS A 74 3.369 11.508 5.040 1.00 0.00 C ATOM 1135 CD LYS A 74 4.844 11.431 4.685 1.00 0.00 C ATOM 1136 CE LYS A 74 5.049 11.282 3.185 1.00 0.00 C ATOM 1137 NZ LYS A 74 5.077 12.602 2.496 1.00 0.00 N ATOM 0 H LYS A 74 0.929 11.163 5.182 1.00 0.00 H new ATOM 0 HA LYS A 74 1.746 13.576 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.426 12.446 3.365 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.418 13.524 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.257 11.573 6.122 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.869 10.593 4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.351 12.330 5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.300 10.586 5.201 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.984 10.754 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.248 10.671 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.788 12.582 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.141 12.801 2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.322 13.346 3.180 1.00 0.00 H new ATOM 1151 N THR A 75 0.504 14.062 3.073 1.00 0.00 N ATOM 1152 CA THR A 75 -0.131 15.054 2.216 1.00 0.00 C ATOM 1153 C THR A 75 -1.608 15.214 2.560 1.00 0.00 C ATOM 1154 O THR A 75 -2.090 16.327 2.766 1.00 0.00 O ATOM 1155 CB THR A 75 -0.001 14.678 0.728 1.00 0.00 C ATOM 1156 OG1 THR A 75 -0.831 13.549 0.434 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.444 14.357 0.376 1.00 0.00 C ATOM 0 H THR A 75 0.703 13.173 2.614 1.00 0.00 H new ATOM 0 HA THR A 75 0.385 15.998 2.391 1.00 0.00 H new ATOM 0 HB THR A 75 -0.323 15.531 0.130 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.471 13.072 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.512 14.094 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.069 15.228 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.788 13.518 0.981 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.321 14.094 2.622 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.736 14.132 2.942 1.00 0.00 C ATOM 1167 C GLY A 76 -4.605 13.682 1.785 1.00 0.00 C ATOM 1168 O GLY A 76 -5.704 14.202 1.585 1.00 0.00 O ATOM 0 H GLY A 76 -1.944 13.161 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.927 13.494 3.805 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.014 15.147 3.227 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.113 12.713 1.019 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.853 12.194 -0.126 1.00 0.00 C ATOM 1174 C HIS A 77 -5.519 10.864 0.216 1.00 0.00 C ATOM 1175 O HIS A 77 -4.974 10.040 0.951 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.920 12.017 -1.324 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.796 13.245 -2.173 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.468 14.483 -1.661 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.956 13.420 -3.505 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.434 15.367 -2.642 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.725 14.748 -3.772 1.00 0.00 N ATOM 0 H HIS A 77 -3.206 12.272 1.170 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.630 12.914 -0.383 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.931 11.732 -0.965 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.285 11.195 -1.940 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -4.217 12.658 -4.224 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.207 16.418 -2.538 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.771 15.185 -4.693 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.726 10.649 -0.329 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.492 9.421 -0.096 1.00 0.00 C ATOM 1192 C PRO A 78 -6.862 8.208 -0.771 1.00 0.00 C ATOM 1193 O PRO A 78 -6.430 8.280 -1.923 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.856 9.732 -0.717 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.575 10.767 -1.750 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.435 11.588 -1.215 1.00 0.00 C ATOM 0 HA PRO A 78 -7.539 9.164 0.962 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.302 8.841 -1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.557 10.100 0.032 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.311 10.306 -2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.453 11.388 -1.929 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.790 11.950 -2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.790 12.463 -0.671 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.814 7.094 -0.049 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.237 5.863 -0.580 1.00 0.00 C ATOM 1206 C LEU A 79 -7.329 4.865 -0.949 1.00 0.00 C ATOM 1207 O LEU A 79 -8.359 4.782 -0.280 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.286 5.240 0.444 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.440 4.067 -0.053 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.317 4.561 -0.952 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.878 3.280 1.121 1.00 0.00 C ATOM 0 H LEU A 79 -7.167 7.017 0.905 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.678 6.112 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.615 6.018 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.874 4.902 1.298 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.080 3.405 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.726 3.712 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.741 5.080 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.678 5.245 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.279 2.449 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.254 3.933 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.698 2.893 1.726 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.096 4.109 -2.017 1.00 0.00 N ATOM 1224 CA GLN A 80 -8.061 3.115 -2.474 1.00 0.00 C ATOM 1225 C GLN A 80 -7.570 1.703 -2.175 1.00 0.00 C ATOM 1226 O GLN A 80 -6.432 1.338 -2.473 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.315 3.272 -3.974 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.840 4.645 -4.361 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.269 4.872 -3.909 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.691 4.366 -2.869 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -11.023 5.637 -4.690 1.00 0.00 N ATOM 0 H GLN A 80 -6.248 4.165 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.995 3.277 -1.936 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.387 3.082 -4.513 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -9.031 2.515 -4.294 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.199 5.411 -3.925 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.783 4.760 -5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.632 6.036 -5.543 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.993 5.825 -4.436 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.446 0.887 -1.570 1.00 0.00 N ATOM 1241 CA PRO A 81 -8.124 -0.499 -1.218 1.00 0.00 C ATOM 1242 C PRO A 81 -7.988 -1.394 -2.445 1.00 0.00 C ATOM 1243 O PRO A 81 -8.577 -1.139 -3.497 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.319 -0.936 -0.367 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.441 -0.064 -0.815 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.819 1.254 -1.185 1.00 0.00 C ATOM 0 HA PRO A 81 -7.166 -0.576 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.551 -1.990 -0.521 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -9.117 -0.806 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.960 -0.503 -1.667 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.178 0.061 -0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.352 1.733 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.829 1.952 -0.348 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.196 -2.467 -2.312 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.966 -3.422 -3.401 1.00 0.00 C ATOM 1256 C PRO A 82 -8.205 -4.253 -3.714 1.00 0.00 C ATOM 1257 O PRO A 82 -9.274 -4.032 -3.144 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.846 -4.314 -2.860 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.972 -4.224 -1.378 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.464 -2.833 -1.088 1.00 0.00 C ATOM 0 HA PRO A 82 -6.716 -2.921 -4.336 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.957 -5.342 -3.205 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.868 -3.969 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.669 -4.971 -1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -5.013 -4.408 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.111 -2.810 -0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.639 -2.148 -0.893 1.00 0.00 H new