USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 180:sc=-0.00996 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.311 USER MOD Single : A 24 LYS NZ :NH3+ -168:sc= 0.02 (180deg=0.00831) USER MOD Single : A 30 CYS SG : rot -111:sc= -1.25 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= -0.0758 (180deg=-0.159) USER MOD Single : A 38 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.14) USER MOD Single : A 40 TYR OH : rot 15:sc= -1.19 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.118 K(o=-0.12,f=-3.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00723 USER MOD Single : A 56 ASN : amide:sc= 0.868 K(o=0.87,f=-2.2) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -111:sc= -1.33! (180deg=-5.51!) USER MOD Single : A 71 HIS : no HE2:sc= -8.82! C(o=-8.8!,f=-11!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 78 MET CE :methyl 168:sc= -2.73! (180deg=-2.98!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.0784 (180deg=-1.5) USER MOD Single : A 80 HIS : no HE2:sc= -13.7! C(o=-14!,f=-19!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.04 K(o=-1,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 169 N ALA A 15 6.157 7.766 13.595 1.00 0.00 N ATOM 170 CA ALA A 15 5.103 6.843 13.212 1.00 0.00 C ATOM 171 C ALA A 15 4.916 6.890 11.694 1.00 0.00 C ATOM 172 O ALA A 15 4.941 7.963 11.095 1.00 0.00 O ATOM 173 CB ALA A 15 3.819 7.191 13.968 1.00 0.00 C ATOM 0 HA ALA A 15 5.372 5.821 13.480 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.028 6.498 13.680 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.996 7.114 15.041 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.517 8.209 13.722 1.00 0.00 H new ATOM 179 N LEU A 16 4.733 5.712 11.116 1.00 0.00 N ATOM 180 CA LEU A 16 4.542 5.605 9.679 1.00 0.00 C ATOM 181 C LEU A 16 3.086 5.234 9.389 1.00 0.00 C ATOM 182 O LEU A 16 2.398 4.687 10.249 1.00 0.00 O ATOM 183 CB LEU A 16 5.557 4.632 9.075 1.00 0.00 C ATOM 184 CG LEU A 16 7.018 4.855 9.470 1.00 0.00 C ATOM 185 CD1 LEU A 16 7.889 3.673 9.041 1.00 0.00 C ATOM 186 CD2 LEU A 16 7.539 6.182 8.915 1.00 0.00 C ATOM 0 H LEU A 16 4.713 4.823 11.616 1.00 0.00 H new ATOM 0 HA LEU A 16 4.729 6.564 9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.274 3.619 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.482 4.688 7.989 1.00 0.00 H new ATOM 0 HG LEU A 16 7.072 4.917 10.557 1.00 0.00 H new ATOM 0 HD11 LEU A 16 8.923 3.857 9.334 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.532 2.764 9.524 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.834 3.555 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 16 8.580 6.316 9.210 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.468 6.174 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.941 7.002 9.312 1.00 0.00 H new ATOM 198 N PRO A 17 2.650 5.555 8.141 1.00 0.00 N ATOM 199 CA PRO A 17 1.288 5.262 7.727 1.00 0.00 C ATOM 200 C PRO A 17 1.111 3.769 7.442 1.00 0.00 C ATOM 201 O PRO A 17 2.084 3.064 7.176 1.00 0.00 O ATOM 202 CB PRO A 17 1.054 6.132 6.502 1.00 0.00 C ATOM 203 CG PRO A 17 2.434 6.528 6.002 1.00 0.00 C ATOM 204 CD PRO A 17 3.437 6.203 7.097 1.00 0.00 C ATOM 0 HA PRO A 17 0.555 5.484 8.503 1.00 0.00 H new ATOM 0 HB2 PRO A 17 0.502 5.587 5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.463 7.012 6.755 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.678 5.987 5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.462 7.591 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.225 5.545 6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.922 7.105 7.470 1.00 0.00 H new ATOM 212 N VAL A 18 -0.137 3.331 7.508 1.00 0.00 N ATOM 213 CA VAL A 18 -0.454 1.934 7.260 1.00 0.00 C ATOM 214 C VAL A 18 -0.995 1.783 5.837 1.00 0.00 C ATOM 215 O VAL A 18 -2.084 2.265 5.528 1.00 0.00 O ATOM 216 CB VAL A 18 -1.425 1.421 8.326 1.00 0.00 C ATOM 217 CG1 VAL A 18 -1.964 0.038 7.956 1.00 0.00 C ATOM 218 CG2 VAL A 18 -0.763 1.401 9.706 1.00 0.00 C ATOM 0 H VAL A 18 -0.941 3.918 7.730 1.00 0.00 H new ATOM 0 HA VAL A 18 0.443 1.320 7.333 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.270 2.109 8.370 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.652 -0.304 8.730 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.490 0.095 7.003 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.135 -0.665 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.474 1.033 10.445 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.108 0.746 9.682 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.451 2.410 9.974 1.00 0.00 H new ATOM 228 N LEU A 19 -0.209 1.112 5.008 1.00 0.00 N ATOM 229 CA LEU A 19 -0.595 0.891 3.625 1.00 0.00 C ATOM 230 C LEU A 19 -1.251 -0.485 3.497 1.00 0.00 C ATOM 231 O LEU A 19 -0.593 -1.510 3.669 1.00 0.00 O ATOM 232 CB LEU A 19 0.604 1.089 2.695 1.00 0.00 C ATOM 233 CG LEU A 19 0.320 0.964 1.197 1.00 0.00 C ATOM 234 CD1 LEU A 19 -0.060 2.318 0.596 1.00 0.00 C ATOM 235 CD2 LEU A 19 1.501 0.323 0.467 1.00 0.00 C ATOM 0 H LEU A 19 0.694 0.714 5.268 1.00 0.00 H new ATOM 0 HA LEU A 19 -1.335 1.628 3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.025 2.077 2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.369 0.360 2.961 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.536 0.303 1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.257 2.201 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.954 2.697 1.090 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.760 3.022 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.273 0.246 -0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.390 0.938 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.682 -0.672 0.872 1.00 0.00 H new ATOM 247 N THR A 20 -2.542 -0.464 3.195 1.00 0.00 N ATOM 248 CA THR A 20 -3.294 -1.698 3.042 1.00 0.00 C ATOM 249 C THR A 20 -3.043 -2.308 1.662 1.00 0.00 C ATOM 250 O THR A 20 -3.349 -1.693 0.642 1.00 0.00 O ATOM 251 CB THR A 20 -4.769 -1.388 3.310 1.00 0.00 C ATOM 252 OG1 THR A 20 -4.734 -0.367 4.303 1.00 0.00 O ATOM 253 CG2 THR A 20 -5.496 -2.548 3.994 1.00 0.00 C ATOM 0 H THR A 20 -3.085 0.387 3.052 1.00 0.00 H new ATOM 0 HA THR A 20 -2.969 -2.451 3.760 1.00 0.00 H new ATOM 0 HB THR A 20 -5.267 -1.151 2.370 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.649 -0.105 4.535 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.538 -2.276 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.449 -3.432 3.358 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.019 -2.763 4.950 1.00 0.00 H new ATOM 261 N LEU A 21 -2.487 -3.511 1.675 1.00 0.00 N ATOM 262 CA LEU A 21 -2.191 -4.211 0.437 1.00 0.00 C ATOM 263 C LEU A 21 -3.081 -5.452 0.332 1.00 0.00 C ATOM 264 O LEU A 21 -3.078 -6.299 1.224 1.00 0.00 O ATOM 265 CB LEU A 21 -0.695 -4.518 0.339 1.00 0.00 C ATOM 266 CG LEU A 21 -0.312 -5.720 -0.526 1.00 0.00 C ATOM 267 CD1 LEU A 21 -0.805 -5.541 -1.963 1.00 0.00 C ATOM 268 CD2 LEU A 21 1.195 -5.981 -0.465 1.00 0.00 C ATOM 0 H LEU A 21 -2.234 -4.018 2.523 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.420 -3.580 -0.421 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.189 -3.637 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.312 -4.683 1.346 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.809 -6.603 -0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.519 -6.410 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.890 -5.441 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.357 -4.645 -2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.441 -6.841 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.731 -5.104 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.488 -6.184 0.565 1.00 0.00 H new ATOM 280 N PHE A 22 -3.821 -5.519 -0.765 1.00 0.00 N ATOM 281 CA PHE A 22 -4.713 -6.642 -0.998 1.00 0.00 C ATOM 282 C PHE A 22 -4.218 -7.504 -2.160 1.00 0.00 C ATOM 283 O PHE A 22 -4.316 -7.105 -3.320 1.00 0.00 O ATOM 284 CB PHE A 22 -6.081 -6.058 -1.358 1.00 0.00 C ATOM 285 CG PHE A 22 -6.839 -5.469 -0.166 1.00 0.00 C ATOM 286 CD1 PHE A 22 -7.545 -6.286 0.661 1.00 0.00 C ATOM 287 CD2 PHE A 22 -6.808 -4.130 0.065 1.00 0.00 C ATOM 288 CE1 PHE A 22 -8.249 -5.740 1.767 1.00 0.00 C ATOM 289 CE2 PHE A 22 -7.512 -3.583 1.171 1.00 0.00 C ATOM 290 CZ PHE A 22 -8.218 -4.400 1.998 1.00 0.00 C ATOM 0 H PHE A 22 -3.821 -4.814 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.760 -7.271 -0.109 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.946 -5.281 -2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.690 -6.839 -1.813 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.570 -7.350 0.477 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -6.248 -3.482 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.809 -6.389 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -7.487 -2.519 1.355 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.754 -3.985 2.838 1.00 0.00 H new ATOM 300 N THR A 23 -3.696 -8.670 -1.810 1.00 0.00 N ATOM 301 CA THR A 23 -3.186 -9.593 -2.810 1.00 0.00 C ATOM 302 C THR A 23 -3.956 -10.914 -2.760 1.00 0.00 C ATOM 303 O THR A 23 -4.604 -11.221 -1.761 1.00 0.00 O ATOM 304 CB THR A 23 -1.682 -9.757 -2.578 1.00 0.00 C ATOM 305 OG1 THR A 23 -1.336 -10.909 -3.341 1.00 0.00 O ATOM 306 CG2 THR A 23 -1.352 -10.152 -1.137 1.00 0.00 C ATOM 0 H THR A 23 -3.615 -8.997 -0.847 1.00 0.00 H new ATOM 0 HA THR A 23 -3.334 -9.205 -3.818 1.00 0.00 H new ATOM 0 HB THR A 23 -1.173 -8.825 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.377 -11.087 -3.249 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.273 -10.255 -1.026 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.715 -9.382 -0.456 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.833 -11.101 -0.900 1.00 0.00 H new ATOM 314 N LYS A 24 -3.859 -11.660 -3.850 1.00 0.00 N ATOM 315 CA LYS A 24 -4.538 -12.941 -3.943 1.00 0.00 C ATOM 316 C LYS A 24 -3.772 -13.851 -4.905 1.00 0.00 C ATOM 317 O LYS A 24 -3.603 -13.519 -6.078 1.00 0.00 O ATOM 318 CB LYS A 24 -6.007 -12.742 -4.323 1.00 0.00 C ATOM 319 CG LYS A 24 -6.133 -11.995 -5.653 1.00 0.00 C ATOM 320 CD LYS A 24 -7.539 -12.147 -6.236 1.00 0.00 C ATOM 321 CE LYS A 24 -7.487 -12.743 -7.644 1.00 0.00 C ATOM 322 NZ LYS A 24 -7.980 -11.765 -8.640 1.00 0.00 N ATOM 0 H LYS A 24 -3.320 -11.402 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.548 -13.438 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.502 -13.711 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.517 -12.183 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.910 -10.939 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.398 -12.379 -6.361 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.138 -12.787 -5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.031 -11.175 -6.267 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.464 -13.032 -7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.092 -13.649 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.131 -12.243 -9.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.878 -11.357 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.278 -11.007 -8.759 1.00 0.00 H new ATOM 385 N LEU A 29 0.861 -9.563 -10.564 1.00 0.00 N ATOM 386 CA LEU A 29 0.987 -8.159 -10.211 1.00 0.00 C ATOM 387 C LEU A 29 1.153 -8.031 -8.696 1.00 0.00 C ATOM 388 O LEU A 29 2.204 -7.608 -8.217 1.00 0.00 O ATOM 389 CB LEU A 29 -0.191 -7.358 -10.770 1.00 0.00 C ATOM 390 CG LEU A 29 -0.225 -7.188 -12.290 1.00 0.00 C ATOM 391 CD1 LEU A 29 -0.172 -8.544 -12.995 1.00 0.00 C ATOM 392 CD2 LEU A 29 -1.441 -6.365 -12.723 1.00 0.00 C ATOM 0 HA LEU A 29 1.879 -7.731 -10.667 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.116 -7.843 -10.458 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.181 -6.368 -10.314 1.00 0.00 H new ATOM 0 HG LEU A 29 0.664 -6.633 -12.591 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.198 -8.394 -14.074 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.748 -9.060 -12.722 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.029 -9.145 -12.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.441 -6.259 -13.808 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.354 -6.871 -12.408 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.395 -5.378 -12.262 1.00 0.00 H new ATOM 404 N CYS A 30 0.101 -8.404 -7.983 1.00 0.00 N ATOM 405 CA CYS A 30 0.117 -8.337 -6.532 1.00 0.00 C ATOM 406 C CYS A 30 1.483 -8.823 -6.044 1.00 0.00 C ATOM 407 O CYS A 30 1.966 -8.384 -5.001 1.00 0.00 O ATOM 408 CB CYS A 30 -1.029 -9.141 -5.915 1.00 0.00 C ATOM 409 SG CYS A 30 -2.619 -8.648 -6.674 1.00 0.00 S ATOM 0 H CYS A 30 -0.769 -8.754 -8.384 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.037 -7.307 -6.212 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -0.859 -10.207 -6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.063 -8.974 -4.838 1.00 0.00 H new ATOM 0 HG CYS A 30 -3.341 -8.017 -5.797 1.00 0.00 H new ATOM 415 N ASP A 31 2.068 -9.723 -6.821 1.00 0.00 N ATOM 416 CA ASP A 31 3.368 -10.274 -6.481 1.00 0.00 C ATOM 417 C ASP A 31 4.444 -9.212 -6.717 1.00 0.00 C ATOM 418 O ASP A 31 5.234 -8.914 -5.822 1.00 0.00 O ATOM 419 CB ASP A 31 3.700 -11.485 -7.355 1.00 0.00 C ATOM 420 CG ASP A 31 3.485 -12.844 -6.686 1.00 0.00 C ATOM 421 OD1 ASP A 31 3.229 -12.840 -5.462 1.00 0.00 O ATOM 422 OD2 ASP A 31 3.582 -13.856 -7.413 1.00 0.00 O ATOM 0 H ASP A 31 1.665 -10.084 -7.685 1.00 0.00 H new ATOM 0 HA ASP A 31 3.341 -10.581 -5.436 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.090 -11.441 -8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.741 -11.413 -7.670 1.00 0.00 H new ATOM 427 N GLU A 32 4.441 -8.670 -7.926 1.00 0.00 N ATOM 428 CA GLU A 32 5.407 -7.648 -8.291 1.00 0.00 C ATOM 429 C GLU A 32 5.183 -6.385 -7.457 1.00 0.00 C ATOM 430 O GLU A 32 6.140 -5.757 -7.006 1.00 0.00 O ATOM 431 CB GLU A 32 5.338 -7.337 -9.787 1.00 0.00 C ATOM 432 CG GLU A 32 6.739 -7.234 -10.391 1.00 0.00 C ATOM 433 CD GLU A 32 7.021 -8.412 -11.327 1.00 0.00 C ATOM 434 OE1 GLU A 32 6.409 -8.431 -12.416 1.00 0.00 O ATOM 435 OE2 GLU A 32 7.843 -9.266 -10.931 1.00 0.00 O ATOM 0 H GLU A 32 3.784 -8.920 -8.666 1.00 0.00 H new ATOM 0 HA GLU A 32 6.406 -8.028 -8.079 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.774 -8.117 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.801 -6.401 -9.943 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.834 -6.297 -10.941 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.482 -7.212 -9.594 1.00 0.00 H new ATOM 442 N ALA A 33 3.914 -6.050 -7.278 1.00 0.00 N ATOM 443 CA ALA A 33 3.552 -4.873 -6.507 1.00 0.00 C ATOM 444 C ALA A 33 4.417 -4.809 -5.246 1.00 0.00 C ATOM 445 O ALA A 33 5.142 -3.838 -5.035 1.00 0.00 O ATOM 446 CB ALA A 33 2.057 -4.912 -6.186 1.00 0.00 C ATOM 0 H ALA A 33 3.123 -6.573 -7.654 1.00 0.00 H new ATOM 0 HA ALA A 33 3.738 -3.966 -7.082 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.786 -4.029 -5.608 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.486 -4.927 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.832 -5.808 -5.607 1.00 0.00 H new ATOM 452 N LYS A 34 4.312 -5.856 -4.441 1.00 0.00 N ATOM 453 CA LYS A 34 5.075 -5.931 -3.207 1.00 0.00 C ATOM 454 C LYS A 34 6.528 -5.540 -3.486 1.00 0.00 C ATOM 455 O LYS A 34 7.093 -4.700 -2.788 1.00 0.00 O ATOM 456 CB LYS A 34 4.922 -7.312 -2.566 1.00 0.00 C ATOM 457 CG LYS A 34 3.499 -7.520 -2.044 1.00 0.00 C ATOM 458 CD LYS A 34 3.080 -8.986 -2.165 1.00 0.00 C ATOM 459 CE LYS A 34 2.814 -9.596 -0.787 1.00 0.00 C ATOM 460 NZ LYS A 34 4.064 -9.660 0.001 1.00 0.00 N ATOM 0 H LYS A 34 3.710 -6.660 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 34 4.688 -5.221 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.162 -8.084 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.633 -7.417 -1.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.441 -7.206 -1.002 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.807 -6.893 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.183 -9.062 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.862 -9.551 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.072 -9.000 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.397 -10.597 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.852 -9.997 0.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.730 -10.315 -0.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.491 -8.713 0.053 1.00 0.00 H new ATOM 474 N GLU A 35 7.089 -6.167 -4.509 1.00 0.00 N ATOM 475 CA GLU A 35 8.465 -5.895 -4.890 1.00 0.00 C ATOM 476 C GLU A 35 8.658 -4.399 -5.150 1.00 0.00 C ATOM 477 O GLU A 35 9.753 -3.869 -4.965 1.00 0.00 O ATOM 478 CB GLU A 35 8.870 -6.721 -6.112 1.00 0.00 C ATOM 479 CG GLU A 35 8.373 -8.163 -5.988 1.00 0.00 C ATOM 480 CD GLU A 35 9.190 -9.102 -6.877 1.00 0.00 C ATOM 481 OE1 GLU A 35 10.429 -8.942 -6.885 1.00 0.00 O ATOM 482 OE2 GLU A 35 8.556 -9.960 -7.529 1.00 0.00 O ATOM 0 H GLU A 35 6.616 -6.863 -5.086 1.00 0.00 H new ATOM 0 HA GLU A 35 9.114 -6.187 -4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.460 -6.267 -7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.955 -6.714 -6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.442 -8.487 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.321 -8.214 -6.269 1.00 0.00 H new ATOM 489 N VAL A 36 7.578 -3.761 -5.576 1.00 0.00 N ATOM 490 CA VAL A 36 7.614 -2.337 -5.864 1.00 0.00 C ATOM 491 C VAL A 36 7.516 -1.554 -4.553 1.00 0.00 C ATOM 492 O VAL A 36 7.839 -0.368 -4.510 1.00 0.00 O ATOM 493 CB VAL A 36 6.511 -1.977 -6.860 1.00 0.00 C ATOM 494 CG1 VAL A 36 6.719 -0.569 -7.423 1.00 0.00 C ATOM 495 CG2 VAL A 36 6.428 -3.011 -7.985 1.00 0.00 C ATOM 0 H VAL A 36 6.672 -4.204 -5.729 1.00 0.00 H new ATOM 0 HA VAL A 36 8.559 -2.066 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 36 5.561 -1.987 -6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.921 -0.338 -8.129 1.00 0.00 H new ATOM 0 HG12 VAL A 36 6.704 0.155 -6.608 1.00 0.00 H new ATOM 0 HG13 VAL A 36 7.681 -0.520 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.636 -2.731 -8.679 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.379 -3.048 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.210 -3.992 -7.562 1.00 0.00 H new ATOM 505 N LEU A 37 7.069 -2.249 -3.518 1.00 0.00 N ATOM 506 CA LEU A 37 6.924 -1.632 -2.210 1.00 0.00 C ATOM 507 C LEU A 37 8.081 -2.074 -1.312 1.00 0.00 C ATOM 508 O LEU A 37 8.233 -1.575 -0.198 1.00 0.00 O ATOM 509 CB LEU A 37 5.543 -1.934 -1.625 1.00 0.00 C ATOM 510 CG LEU A 37 4.351 -1.351 -2.387 1.00 0.00 C ATOM 511 CD1 LEU A 37 3.087 -1.369 -1.524 1.00 0.00 C ATOM 512 CD2 LEU A 37 4.667 0.052 -2.910 1.00 0.00 C ATOM 0 H LEU A 37 6.802 -3.233 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 37 6.980 -0.547 -2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.421 -3.016 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.514 -1.559 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 37 4.159 -1.982 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.255 -0.949 -2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.853 -2.396 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.252 -0.775 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.803 0.443 -3.448 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.901 0.709 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.523 0.005 -3.584 1.00 0.00 H new ATOM 524 N GLN A 38 8.868 -3.006 -1.830 1.00 0.00 N ATOM 525 CA GLN A 38 10.007 -3.521 -1.089 1.00 0.00 C ATOM 526 C GLN A 38 10.814 -2.369 -0.487 1.00 0.00 C ATOM 527 O GLN A 38 11.111 -2.371 0.706 1.00 0.00 O ATOM 528 CB GLN A 38 10.888 -4.401 -1.979 1.00 0.00 C ATOM 529 CG GLN A 38 10.985 -5.822 -1.420 1.00 0.00 C ATOM 530 CD GLN A 38 12.375 -6.089 -0.840 1.00 0.00 C ATOM 531 OE1 GLN A 38 12.902 -7.187 -0.903 1.00 0.00 O ATOM 532 NE2 GLN A 38 12.938 -5.026 -0.272 1.00 0.00 N ATOM 0 H GLN A 38 8.739 -3.418 -2.754 1.00 0.00 H new ATOM 0 HA GLN A 38 9.634 -4.142 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.477 -4.431 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.885 -3.967 -2.053 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.231 -5.965 -0.646 1.00 0.00 H new ATOM 0 HG3 GLN A 38 10.772 -6.543 -2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 38 12.442 -4.135 -0.253 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.866 -5.102 0.145 1.00 0.00 H new ATOM 541 N PRO A 39 11.154 -1.386 -1.364 1.00 0.00 N ATOM 542 CA PRO A 39 11.921 -0.230 -0.932 1.00 0.00 C ATOM 543 C PRO A 39 11.047 0.739 -0.132 1.00 0.00 C ATOM 544 O PRO A 39 11.509 1.803 0.277 1.00 0.00 O ATOM 545 CB PRO A 39 12.467 0.381 -2.212 1.00 0.00 C ATOM 546 CG PRO A 39 11.611 -0.176 -3.338 1.00 0.00 C ATOM 547 CD PRO A 39 10.820 -1.350 -2.785 1.00 0.00 C ATOM 0 HA PRO A 39 12.733 -0.493 -0.254 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.411 1.469 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.516 0.120 -2.353 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.938 0.591 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 39 12.237 -0.496 -4.171 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.749 -1.213 -2.937 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.095 -2.281 -3.280 1.00 0.00 H new ATOM 555 N TYR A 40 9.801 0.335 0.068 1.00 0.00 N ATOM 556 CA TYR A 40 8.860 1.154 0.812 1.00 0.00 C ATOM 557 C TYR A 40 8.311 0.397 2.023 1.00 0.00 C ATOM 558 O TYR A 40 7.408 0.879 2.705 1.00 0.00 O ATOM 559 CB TYR A 40 7.709 1.453 -0.151 1.00 0.00 C ATOM 560 CG TYR A 40 8.122 2.264 -1.381 1.00 0.00 C ATOM 561 CD1 TYR A 40 8.575 1.617 -2.513 1.00 0.00 C ATOM 562 CD2 TYR A 40 8.041 3.641 -1.359 1.00 0.00 C ATOM 563 CE1 TYR A 40 8.963 2.379 -3.671 1.00 0.00 C ATOM 564 CE2 TYR A 40 8.430 4.404 -2.517 1.00 0.00 C ATOM 565 CZ TYR A 40 8.872 3.735 -3.616 1.00 0.00 C ATOM 566 OH TYR A 40 9.239 4.455 -4.710 1.00 0.00 O ATOM 0 H TYR A 40 9.422 -0.549 -0.272 1.00 0.00 H new ATOM 0 HA TYR A 40 9.345 2.058 1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.270 0.511 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.932 1.997 0.386 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.638 0.539 -2.530 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.686 4.147 -0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.318 1.885 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.372 5.482 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 40 9.303 3.861 -5.486 1.00 0.00 H new ATOM 576 N LYS A 41 8.881 -0.777 2.254 1.00 0.00 N ATOM 577 CA LYS A 41 8.461 -1.606 3.371 1.00 0.00 C ATOM 578 C LYS A 41 8.687 -0.845 4.679 1.00 0.00 C ATOM 579 O LYS A 41 7.848 -0.886 5.578 1.00 0.00 O ATOM 580 CB LYS A 41 9.160 -2.966 3.322 1.00 0.00 C ATOM 581 CG LYS A 41 8.710 -3.771 2.101 1.00 0.00 C ATOM 582 CD LYS A 41 7.302 -4.334 2.305 1.00 0.00 C ATOM 583 CE LYS A 41 7.326 -5.546 3.239 1.00 0.00 C ATOM 584 NZ LYS A 41 6.959 -6.776 2.502 1.00 0.00 N ATOM 0 H LYS A 41 9.630 -1.174 1.687 1.00 0.00 H new ATOM 0 HA LYS A 41 7.394 -1.820 3.306 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.240 -2.823 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.940 -3.525 4.232 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.727 -3.136 1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.410 -4.587 1.921 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.655 -3.562 2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.878 -4.620 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.319 -5.658 3.673 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.633 -5.390 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.980 -7.589 3.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.002 -6.672 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.636 -6.932 1.729 1.00 0.00 H new ATOM 598 N ASP A 42 9.824 -0.169 4.743 1.00 0.00 N ATOM 599 CA ASP A 42 10.172 0.601 5.926 1.00 0.00 C ATOM 600 C ASP A 42 9.548 1.994 5.824 1.00 0.00 C ATOM 601 O ASP A 42 9.481 2.722 6.814 1.00 0.00 O ATOM 602 CB ASP A 42 11.687 0.769 6.049 1.00 0.00 C ATOM 603 CG ASP A 42 12.250 0.552 7.455 1.00 0.00 C ATOM 604 OD1 ASP A 42 11.669 1.136 8.395 1.00 0.00 O ATOM 605 OD2 ASP A 42 13.249 -0.193 7.558 1.00 0.00 O ATOM 0 H ASP A 42 10.517 -0.138 3.995 1.00 0.00 H new ATOM 0 HA ASP A 42 9.797 0.066 6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.171 0.069 5.368 1.00 0.00 H new ATOM 0 HB3 ASP A 42 11.954 1.773 5.718 1.00 0.00 H new ATOM 610 N ARG A 43 9.107 2.323 4.619 1.00 0.00 N ATOM 611 CA ARG A 43 8.492 3.617 4.375 1.00 0.00 C ATOM 612 C ARG A 43 7.122 3.689 5.053 1.00 0.00 C ATOM 613 O ARG A 43 6.602 4.777 5.296 1.00 0.00 O ATOM 614 CB ARG A 43 8.325 3.873 2.876 1.00 0.00 C ATOM 615 CG ARG A 43 9.625 4.396 2.261 1.00 0.00 C ATOM 616 CD ARG A 43 9.879 5.849 2.669 1.00 0.00 C ATOM 617 NE ARG A 43 10.762 5.895 3.855 1.00 0.00 N ATOM 618 CZ ARG A 43 11.258 7.025 4.379 1.00 0.00 C ATOM 619 NH1 ARG A 43 10.961 8.207 3.824 1.00 0.00 N ATOM 620 NH2 ARG A 43 12.052 6.971 5.457 1.00 0.00 N ATOM 0 H ARG A 43 9.163 1.716 3.801 1.00 0.00 H new ATOM 0 HA ARG A 43 9.149 4.381 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.028 2.951 2.377 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.525 4.596 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 43 10.460 3.773 2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.573 4.323 1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.338 6.392 1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.933 6.344 2.890 1.00 0.00 H new ATOM 0 HE ARG A 43 11.009 5.012 4.302 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.357 8.248 3.003 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.338 9.067 4.223 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.279 6.070 5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 43 12.430 7.831 5.856 1.00 0.00 H new ATOM 634 N PHE A 44 6.576 2.516 5.338 1.00 0.00 N ATOM 635 CA PHE A 44 5.277 2.432 5.983 1.00 0.00 C ATOM 636 C PHE A 44 4.946 0.988 6.367 1.00 0.00 C ATOM 637 O PHE A 44 5.718 0.074 6.080 1.00 0.00 O ATOM 638 CB PHE A 44 4.242 2.928 4.971 1.00 0.00 C ATOM 639 CG PHE A 44 4.396 2.320 3.575 1.00 0.00 C ATOM 640 CD1 PHE A 44 4.258 0.979 3.399 1.00 0.00 C ATOM 641 CD2 PHE A 44 4.671 3.121 2.511 1.00 0.00 C ATOM 642 CE1 PHE A 44 4.401 0.414 2.104 1.00 0.00 C ATOM 643 CE2 PHE A 44 4.814 2.557 1.216 1.00 0.00 C ATOM 644 CZ PHE A 44 4.676 1.215 1.040 1.00 0.00 C ATOM 0 H PHE A 44 7.010 1.616 5.134 1.00 0.00 H new ATOM 0 HA PHE A 44 5.275 3.031 6.894 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.244 2.702 5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 44 4.315 4.013 4.894 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.040 0.343 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 44 4.781 4.186 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.291 -0.651 1.964 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.032 3.193 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.785 0.786 0.055 1.00 0.00 H new ATOM 654 N ILE A 45 3.799 0.828 7.009 1.00 0.00 N ATOM 655 CA ILE A 45 3.357 -0.489 7.435 1.00 0.00 C ATOM 656 C ILE A 45 2.469 -1.100 6.349 1.00 0.00 C ATOM 657 O ILE A 45 1.291 -0.761 6.242 1.00 0.00 O ATOM 658 CB ILE A 45 2.686 -0.412 8.807 1.00 0.00 C ATOM 659 CG1 ILE A 45 3.695 -0.025 9.890 1.00 0.00 C ATOM 660 CG2 ILE A 45 1.962 -1.719 9.138 1.00 0.00 C ATOM 661 CD1 ILE A 45 3.054 0.890 10.935 1.00 0.00 C ATOM 0 H ILE A 45 3.162 1.589 7.245 1.00 0.00 H new ATOM 0 HA ILE A 45 4.211 -1.155 7.561 1.00 0.00 H new ATOM 0 HB ILE A 45 1.932 0.374 8.774 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.077 -0.924 10.374 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.548 0.479 9.434 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.494 -1.637 10.119 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.197 -1.912 8.386 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.679 -2.540 9.146 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.793 1.150 11.693 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.695 1.799 10.452 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.217 0.374 11.406 1.00 0.00 H new ATOM 673 N LEU A 46 3.067 -1.990 5.570 1.00 0.00 N ATOM 674 CA LEU A 46 2.345 -2.650 4.497 1.00 0.00 C ATOM 675 C LEU A 46 1.441 -3.735 5.088 1.00 0.00 C ATOM 676 O LEU A 46 1.925 -4.767 5.549 1.00 0.00 O ATOM 677 CB LEU A 46 3.318 -3.171 3.437 1.00 0.00 C ATOM 678 CG LEU A 46 2.683 -3.772 2.181 1.00 0.00 C ATOM 679 CD1 LEU A 46 1.778 -2.754 1.484 1.00 0.00 C ATOM 680 CD2 LEU A 46 3.753 -4.327 1.239 1.00 0.00 C ATOM 0 H LEU A 46 4.044 -2.269 5.661 1.00 0.00 H new ATOM 0 HA LEU A 46 1.698 -1.941 3.981 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.968 -2.350 3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.954 -3.928 3.896 1.00 0.00 H new ATOM 0 HG LEU A 46 2.053 -4.609 2.483 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.339 -3.206 0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.984 -2.447 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.365 -1.882 1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.276 -4.748 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.427 -3.524 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.320 -5.105 1.750 1.00 0.00 H new ATOM 692 N GLN A 47 0.145 -3.463 5.055 1.00 0.00 N ATOM 693 CA GLN A 47 -0.831 -4.402 5.581 1.00 0.00 C ATOM 694 C GLN A 47 -1.351 -5.309 4.464 1.00 0.00 C ATOM 695 O GLN A 47 -2.241 -4.921 3.709 1.00 0.00 O ATOM 696 CB GLN A 47 -1.981 -3.668 6.272 1.00 0.00 C ATOM 697 CG GLN A 47 -2.560 -4.507 7.413 1.00 0.00 C ATOM 698 CD GLN A 47 -3.796 -3.835 8.016 1.00 0.00 C ATOM 699 OE1 GLN A 47 -4.640 -3.292 7.322 1.00 0.00 O ATOM 700 NE2 GLN A 47 -3.854 -3.901 9.343 1.00 0.00 N ATOM 0 H GLN A 47 -0.252 -2.605 4.672 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.340 -5.025 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.626 -2.714 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.763 -3.445 5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.824 -5.497 7.043 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.804 -4.647 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.113 -4.371 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.639 -3.482 9.841 1.00 0.00 H new ATOM 709 N GLU A 48 -0.773 -6.499 4.394 1.00 0.00 N ATOM 710 CA GLU A 48 -1.167 -7.464 3.382 1.00 0.00 C ATOM 711 C GLU A 48 -2.449 -8.184 3.806 1.00 0.00 C ATOM 712 O GLU A 48 -2.423 -9.033 4.697 1.00 0.00 O ATOM 713 CB GLU A 48 -0.042 -8.464 3.109 1.00 0.00 C ATOM 714 CG GLU A 48 0.748 -8.073 1.858 1.00 0.00 C ATOM 715 CD GLU A 48 2.241 -8.349 2.044 1.00 0.00 C ATOM 716 OE1 GLU A 48 2.563 -9.493 2.430 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.027 -7.409 1.795 1.00 0.00 O ATOM 0 H GLU A 48 -0.035 -6.817 5.022 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.364 -6.927 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.628 -8.507 3.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.461 -9.462 2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.376 -8.631 0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.594 -7.016 1.642 1.00 0.00 H new ATOM 724 N VAL A 49 -3.540 -7.820 3.148 1.00 0.00 N ATOM 725 CA VAL A 49 -4.829 -8.421 3.446 1.00 0.00 C ATOM 726 C VAL A 49 -5.069 -9.598 2.498 1.00 0.00 C ATOM 727 O VAL A 49 -4.693 -9.545 1.329 1.00 0.00 O ATOM 728 CB VAL A 49 -5.930 -7.361 3.372 1.00 0.00 C ATOM 729 CG1 VAL A 49 -7.313 -7.994 3.540 1.00 0.00 C ATOM 730 CG2 VAL A 49 -5.701 -6.260 4.410 1.00 0.00 C ATOM 0 H VAL A 49 -3.558 -7.116 2.410 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.841 -8.814 4.463 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.889 -6.904 2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.077 -7.219 3.483 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.478 -8.724 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.371 -8.490 4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.497 -5.519 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.702 -6.696 5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.740 -5.780 4.225 1.00 0.00 H new ATOM 740 N ASP A 50 -5.694 -10.634 3.040 1.00 0.00 N ATOM 741 CA ASP A 50 -5.988 -11.822 2.257 1.00 0.00 C ATOM 742 C ASP A 50 -7.474 -11.831 1.891 1.00 0.00 C ATOM 743 O ASP A 50 -8.320 -12.160 2.722 1.00 0.00 O ATOM 744 CB ASP A 50 -5.690 -13.094 3.054 1.00 0.00 C ATOM 745 CG ASP A 50 -4.268 -13.636 2.899 1.00 0.00 C ATOM 746 OD1 ASP A 50 -4.057 -14.409 1.940 1.00 0.00 O ATOM 747 OD2 ASP A 50 -3.424 -13.264 3.742 1.00 0.00 O ATOM 0 H ASP A 50 -6.004 -10.675 4.011 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.363 -11.801 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.874 -12.895 4.110 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.393 -13.869 2.749 1.00 0.00 H new ATOM 752 N ILE A 51 -7.746 -11.467 0.647 1.00 0.00 N ATOM 753 CA ILE A 51 -9.115 -11.429 0.161 1.00 0.00 C ATOM 754 C ILE A 51 -9.587 -12.854 -0.133 1.00 0.00 C ATOM 755 O ILE A 51 -10.786 -13.129 -0.124 1.00 0.00 O ATOM 756 CB ILE A 51 -9.232 -10.483 -1.037 1.00 0.00 C ATOM 757 CG1 ILE A 51 -8.454 -11.022 -2.239 1.00 0.00 C ATOM 758 CG2 ILE A 51 -8.797 -9.066 -0.661 1.00 0.00 C ATOM 759 CD1 ILE A 51 -8.923 -10.361 -3.537 1.00 0.00 C ATOM 0 H ILE A 51 -7.042 -11.196 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.779 -11.024 0.924 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.281 -10.430 -1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.389 -10.840 -2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -8.587 -12.102 -2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.890 -8.414 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -9.431 -8.692 0.143 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.759 -9.080 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.354 -10.762 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.983 -10.565 -3.687 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.766 -9.284 -3.474 1.00 0.00 H new ATOM 771 N THR A 52 -8.620 -13.724 -0.385 1.00 0.00 N ATOM 772 CA THR A 52 -8.921 -15.114 -0.680 1.00 0.00 C ATOM 773 C THR A 52 -9.654 -15.762 0.496 1.00 0.00 C ATOM 774 O THR A 52 -10.223 -16.844 0.357 1.00 0.00 O ATOM 775 CB THR A 52 -7.611 -15.816 -1.041 1.00 0.00 C ATOM 776 OG1 THR A 52 -6.761 -15.558 0.073 1.00 0.00 O ATOM 777 CG2 THR A 52 -6.895 -15.151 -2.218 1.00 0.00 C ATOM 0 H THR A 52 -7.627 -13.493 -0.391 1.00 0.00 H new ATOM 0 HA THR A 52 -9.597 -15.200 -1.531 1.00 0.00 H new ATOM 0 HB THR A 52 -7.813 -16.860 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.889 -15.979 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 52 -5.971 -15.689 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 52 -7.540 -15.173 -3.096 1.00 0.00 H new ATOM 0 HG23 THR A 52 -6.662 -14.117 -1.965 1.00 0.00 H new ATOM 785 N LEU A 53 -9.617 -15.073 1.627 1.00 0.00 N ATOM 786 CA LEU A 53 -10.270 -15.568 2.827 1.00 0.00 C ATOM 787 C LEU A 53 -11.783 -15.390 2.689 1.00 0.00 C ATOM 788 O LEU A 53 -12.244 -14.503 1.972 1.00 0.00 O ATOM 789 CB LEU A 53 -9.683 -14.900 4.072 1.00 0.00 C ATOM 790 CG LEU A 53 -8.322 -15.423 4.535 1.00 0.00 C ATOM 791 CD1 LEU A 53 -7.664 -14.448 5.514 1.00 0.00 C ATOM 792 CD2 LEU A 53 -8.447 -16.830 5.124 1.00 0.00 C ATOM 0 H LEU A 53 -9.145 -14.176 1.738 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.084 -16.635 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.592 -13.831 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.393 -15.016 4.891 1.00 0.00 H new ATOM 0 HG LEU A 53 -7.669 -15.495 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.698 -14.844 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -7.520 -13.484 5.026 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.305 -14.321 6.387 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.465 -17.178 5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.122 -16.808 5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.843 -17.507 4.367 1.00 0.00 H new ATOM 804 N PRO A 54 -12.534 -16.270 3.405 1.00 0.00 N ATOM 805 CA PRO A 54 -13.985 -16.218 3.369 1.00 0.00 C ATOM 806 C PRO A 54 -14.512 -15.043 4.195 1.00 0.00 C ATOM 807 O PRO A 54 -15.540 -14.456 3.861 1.00 0.00 O ATOM 808 CB PRO A 54 -14.440 -17.568 3.899 1.00 0.00 C ATOM 809 CG PRO A 54 -13.248 -18.147 4.643 1.00 0.00 C ATOM 810 CD PRO A 54 -12.022 -17.333 4.264 1.00 0.00 C ATOM 0 HA PRO A 54 -14.375 -16.047 2.366 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.298 -17.458 4.562 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.748 -18.224 3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.414 -18.108 5.720 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.106 -19.195 4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.529 -16.926 5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.287 -17.945 3.741 1.00 0.00 H new ATOM 818 N GLU A 55 -13.784 -14.735 5.258 1.00 0.00 N ATOM 819 CA GLU A 55 -14.166 -13.641 6.135 1.00 0.00 C ATOM 820 C GLU A 55 -13.834 -12.297 5.482 1.00 0.00 C ATOM 821 O GLU A 55 -14.261 -11.248 5.961 1.00 0.00 O ATOM 822 CB GLU A 55 -13.487 -13.770 7.500 1.00 0.00 C ATOM 823 CG GLU A 55 -12.000 -13.421 7.408 1.00 0.00 C ATOM 824 CD GLU A 55 -11.306 -13.616 8.758 1.00 0.00 C ATOM 825 OE1 GLU A 55 -11.828 -14.429 9.551 1.00 0.00 O ATOM 826 OE2 GLU A 55 -10.271 -12.947 8.966 1.00 0.00 O ATOM 0 H GLU A 55 -12.932 -15.224 5.532 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.243 -13.689 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.975 -13.110 8.217 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.603 -14.788 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.522 -14.048 6.655 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.885 -12.387 7.082 1.00 0.00 H new ATOM 833 N ASN A 56 -13.075 -12.373 4.399 1.00 0.00 N ATOM 834 CA ASN A 56 -12.681 -11.176 3.676 1.00 0.00 C ATOM 835 C ASN A 56 -13.320 -11.192 2.286 1.00 0.00 C ATOM 836 O ASN A 56 -13.017 -10.342 1.450 1.00 0.00 O ATOM 837 CB ASN A 56 -11.163 -11.115 3.497 1.00 0.00 C ATOM 838 CG ASN A 56 -10.463 -10.875 4.836 1.00 0.00 C ATOM 839 OD1 ASN A 56 -11.019 -10.312 5.765 1.00 0.00 O ATOM 840 ND2 ASN A 56 -9.215 -11.332 4.884 1.00 0.00 N ATOM 0 H ASN A 56 -12.722 -13.245 4.005 1.00 0.00 H new ATOM 0 HA ASN A 56 -13.011 -10.311 4.251 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -10.807 -12.047 3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -10.907 -10.317 2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.663 -11.220 5.735 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.809 -11.794 4.070 1.00 0.00 H new ATOM 847 N SER A 57 -14.193 -12.168 2.082 1.00 0.00 N ATOM 848 CA SER A 57 -14.877 -12.306 0.807 1.00 0.00 C ATOM 849 C SER A 57 -15.259 -10.926 0.266 1.00 0.00 C ATOM 850 O SER A 57 -15.135 -10.669 -0.930 1.00 0.00 O ATOM 851 CB SER A 57 -16.121 -13.186 0.942 1.00 0.00 C ATOM 852 OG SER A 57 -16.169 -14.201 -0.057 1.00 0.00 O ATOM 0 H SER A 57 -14.442 -12.871 2.778 1.00 0.00 H new ATOM 0 HA SER A 57 -14.198 -12.789 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.132 -13.648 1.929 1.00 0.00 H new ATOM 0 HB3 SER A 57 -17.014 -12.565 0.871 1.00 0.00 H new ATOM 0 HG SER A 57 -16.977 -14.742 0.065 1.00 0.00 H new ATOM 858 N THR A 58 -15.714 -10.076 1.174 1.00 0.00 N ATOM 859 CA THR A 58 -16.115 -8.729 0.803 1.00 0.00 C ATOM 860 C THR A 58 -14.960 -8.001 0.112 1.00 0.00 C ATOM 861 O THR A 58 -15.124 -7.474 -0.987 1.00 0.00 O ATOM 862 CB THR A 58 -16.613 -8.020 2.064 1.00 0.00 C ATOM 863 OG1 THR A 58 -17.971 -8.435 2.182 1.00 0.00 O ATOM 864 CG2 THR A 58 -16.701 -6.503 1.886 1.00 0.00 C ATOM 0 H THR A 58 -15.814 -10.293 2.166 1.00 0.00 H new ATOM 0 HA THR A 58 -16.929 -8.743 0.078 1.00 0.00 H new ATOM 0 HB THR A 58 -15.948 -8.250 2.897 1.00 0.00 H new ATOM 0 HG1 THR A 58 -18.371 -8.023 2.976 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.059 -6.048 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 58 -15.714 -6.107 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.392 -6.271 1.076 1.00 0.00 H new ATOM 872 N TRP A 59 -13.819 -7.995 0.786 1.00 0.00 N ATOM 873 CA TRP A 59 -12.638 -7.339 0.250 1.00 0.00 C ATOM 874 C TRP A 59 -12.468 -7.785 -1.204 1.00 0.00 C ATOM 875 O TRP A 59 -12.106 -6.984 -2.064 1.00 0.00 O ATOM 876 CB TRP A 59 -11.409 -7.634 1.113 1.00 0.00 C ATOM 877 CG TRP A 59 -11.282 -6.733 2.343 1.00 0.00 C ATOM 878 CD1 TRP A 59 -11.219 -7.098 3.631 1.00 0.00 C ATOM 879 CD2 TRP A 59 -11.205 -5.292 2.349 1.00 0.00 C ATOM 880 NE1 TRP A 59 -11.107 -6.003 4.462 1.00 0.00 N ATOM 881 CE2 TRP A 59 -11.098 -4.869 3.658 1.00 0.00 C ATOM 882 CE3 TRP A 59 -11.225 -4.375 1.283 1.00 0.00 C ATOM 883 CZ2 TRP A 59 -11.003 -3.521 4.023 1.00 0.00 C ATOM 884 CZ3 TRP A 59 -11.128 -3.032 1.664 1.00 0.00 C ATOM 885 CH2 TRP A 59 -11.020 -2.590 2.978 1.00 0.00 C ATOM 0 H TRP A 59 -13.687 -8.433 1.697 1.00 0.00 H new ATOM 0 HA TRP A 59 -12.756 -6.256 0.270 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.448 -8.673 1.439 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.513 -7.525 0.501 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -11.252 -8.121 3.975 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -11.043 -6.022 5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -11.309 -4.683 0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -10.921 -3.216 5.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -11.138 -2.286 0.883 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.950 -1.534 3.191 1.00 0.00 H new ATOM 896 N TYR A 60 -12.738 -9.062 -1.433 1.00 0.00 N ATOM 897 CA TYR A 60 -12.619 -9.623 -2.768 1.00 0.00 C ATOM 898 C TYR A 60 -13.811 -9.223 -3.639 1.00 0.00 C ATOM 899 O TYR A 60 -13.634 -8.757 -4.764 1.00 0.00 O ATOM 900 CB TYR A 60 -12.622 -11.143 -2.588 1.00 0.00 C ATOM 901 CG TYR A 60 -12.209 -11.919 -3.840 1.00 0.00 C ATOM 902 CD1 TYR A 60 -13.033 -11.930 -4.948 1.00 0.00 C ATOM 903 CD2 TYR A 60 -11.013 -12.607 -3.862 1.00 0.00 C ATOM 904 CE1 TYR A 60 -12.644 -12.660 -6.126 1.00 0.00 C ATOM 905 CE2 TYR A 60 -10.625 -13.337 -5.041 1.00 0.00 C ATOM 906 CZ TYR A 60 -11.459 -13.328 -6.115 1.00 0.00 C ATOM 907 OH TYR A 60 -11.092 -14.018 -7.228 1.00 0.00 O ATOM 0 H TYR A 60 -13.039 -9.724 -0.717 1.00 0.00 H new ATOM 0 HA TYR A 60 -11.715 -9.261 -3.257 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -11.947 -11.403 -1.773 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -13.621 -11.461 -2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -13.969 -11.391 -4.931 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.368 -12.598 -2.996 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -13.279 -12.677 -6.999 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.692 -13.880 -5.072 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.223 -14.445 -7.077 1.00 0.00 H new ATOM 917 N GLU A 61 -15.000 -9.419 -3.086 1.00 0.00 N ATOM 918 CA GLU A 61 -16.221 -9.083 -3.799 1.00 0.00 C ATOM 919 C GLU A 61 -16.206 -7.611 -4.214 1.00 0.00 C ATOM 920 O GLU A 61 -16.982 -7.197 -5.074 1.00 0.00 O ATOM 921 CB GLU A 61 -17.455 -9.402 -2.952 1.00 0.00 C ATOM 922 CG GLU A 61 -17.634 -10.914 -2.792 1.00 0.00 C ATOM 923 CD GLU A 61 -19.042 -11.346 -3.206 1.00 0.00 C ATOM 924 OE1 GLU A 61 -19.996 -10.674 -2.760 1.00 0.00 O ATOM 925 OE2 GLU A 61 -19.132 -12.339 -3.960 1.00 0.00 O ATOM 0 H GLU A 61 -15.143 -9.806 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 61 -16.272 -9.693 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -17.357 -8.938 -1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.342 -8.975 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.896 -11.438 -3.399 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -17.453 -11.198 -1.755 1.00 0.00 H new ATOM 932 N ARG A 62 -15.315 -6.860 -3.583 1.00 0.00 N ATOM 933 CA ARG A 62 -15.190 -5.442 -3.875 1.00 0.00 C ATOM 934 C ARG A 62 -13.928 -5.181 -4.701 1.00 0.00 C ATOM 935 O ARG A 62 -13.876 -4.227 -5.476 1.00 0.00 O ATOM 936 CB ARG A 62 -15.129 -4.618 -2.588 1.00 0.00 C ATOM 937 CG ARG A 62 -13.790 -4.815 -1.873 1.00 0.00 C ATOM 938 CD ARG A 62 -13.554 -3.713 -0.839 1.00 0.00 C ATOM 939 NE ARG A 62 -14.047 -4.149 0.487 1.00 0.00 N ATOM 940 CZ ARG A 62 -14.058 -3.370 1.577 1.00 0.00 C ATOM 941 NH1 ARG A 62 -13.603 -2.112 1.507 1.00 0.00 N ATOM 942 NH2 ARG A 62 -14.523 -3.850 2.739 1.00 0.00 N ATOM 0 H ARG A 62 -14.673 -7.207 -2.871 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.070 -5.141 -4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -15.269 -3.562 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -15.945 -4.909 -1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -13.775 -5.788 -1.382 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -12.980 -4.814 -2.603 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -12.491 -3.478 -0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -14.066 -2.801 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 62 -14.400 -5.102 0.576 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.248 -1.747 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.612 -1.520 2.337 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -14.868 -4.808 2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -14.531 -3.257 3.569 1.00 0.00 H new ATOM 956 N TYR A 63 -12.942 -6.044 -4.506 1.00 0.00 N ATOM 957 CA TYR A 63 -11.685 -5.919 -5.223 1.00 0.00 C ATOM 958 C TYR A 63 -11.200 -7.281 -5.724 1.00 0.00 C ATOM 959 O TYR A 63 -10.267 -7.855 -5.165 1.00 0.00 O ATOM 960 CB TYR A 63 -10.676 -5.372 -4.211 1.00 0.00 C ATOM 961 CG TYR A 63 -10.918 -3.914 -3.817 1.00 0.00 C ATOM 962 CD1 TYR A 63 -11.194 -2.973 -4.788 1.00 0.00 C ATOM 963 CD2 TYR A 63 -10.860 -3.539 -2.490 1.00 0.00 C ATOM 964 CE1 TYR A 63 -11.422 -1.600 -4.417 1.00 0.00 C ATOM 965 CE2 TYR A 63 -11.088 -2.166 -2.119 1.00 0.00 C ATOM 966 CZ TYR A 63 -11.357 -1.265 -3.100 1.00 0.00 C ATOM 967 OH TYR A 63 -11.573 0.032 -2.750 1.00 0.00 O ATOM 0 H TYR A 63 -12.988 -6.833 -3.861 1.00 0.00 H new ATOM 0 HA TYR A 63 -11.801 -5.270 -6.091 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.706 -5.990 -3.314 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.673 -5.463 -4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.239 -3.266 -5.826 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -10.644 -4.275 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.639 -0.854 -5.167 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -11.046 -1.859 -1.084 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.497 0.125 -1.777 1.00 0.00 H new ATOM 977 N LYS A 64 -11.856 -7.758 -6.771 1.00 0.00 N ATOM 978 CA LYS A 64 -11.504 -9.042 -7.353 1.00 0.00 C ATOM 979 C LYS A 64 -10.880 -8.818 -8.732 1.00 0.00 C ATOM 980 O LYS A 64 -10.208 -9.701 -9.263 1.00 0.00 O ATOM 981 CB LYS A 64 -12.718 -9.973 -7.372 1.00 0.00 C ATOM 982 CG LYS A 64 -13.813 -9.428 -8.291 1.00 0.00 C ATOM 983 CD LYS A 64 -15.157 -10.101 -8.003 1.00 0.00 C ATOM 984 CE LYS A 64 -16.259 -9.059 -7.799 1.00 0.00 C ATOM 985 NZ LYS A 64 -17.223 -9.518 -6.774 1.00 0.00 N ATOM 0 H LYS A 64 -12.630 -7.279 -7.232 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.755 -9.545 -6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.415 -10.964 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.110 -10.086 -6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.905 -8.351 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.535 -9.594 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.423 -10.760 -8.830 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.072 -10.725 -7.113 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.818 -8.110 -7.493 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.778 -8.881 -8.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.135 -9.732 -7.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.856 -10.374 -6.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.356 -8.771 -6.063 1.00 0.00 H new ATOM 999 N PHE A 65 -11.123 -7.633 -9.271 1.00 0.00 N ATOM 1000 CA PHE A 65 -10.593 -7.282 -10.577 1.00 0.00 C ATOM 1001 C PHE A 65 -9.993 -5.874 -10.565 1.00 0.00 C ATOM 1002 O PHE A 65 -9.668 -5.325 -11.617 1.00 0.00 O ATOM 1003 CB PHE A 65 -11.765 -7.315 -11.559 1.00 0.00 C ATOM 1004 CG PHE A 65 -13.031 -6.630 -11.040 1.00 0.00 C ATOM 1005 CD1 PHE A 65 -13.055 -5.281 -10.873 1.00 0.00 C ATOM 1006 CD2 PHE A 65 -14.133 -7.371 -10.747 1.00 0.00 C ATOM 1007 CE1 PHE A 65 -14.230 -4.645 -10.392 1.00 0.00 C ATOM 1008 CE2 PHE A 65 -15.308 -6.736 -10.265 1.00 0.00 C ATOM 1009 CZ PHE A 65 -15.332 -5.387 -10.098 1.00 0.00 C ATOM 0 H PHE A 65 -11.680 -6.903 -8.827 1.00 0.00 H new ATOM 0 HA PHE A 65 -9.806 -7.981 -10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.460 -6.835 -12.489 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.997 -8.353 -11.797 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -12.180 -4.693 -11.106 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -14.114 -8.443 -10.881 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -14.249 -3.573 -10.260 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -16.183 -7.325 -10.031 1.00 0.00 H new ATOM 0 HZ PHE A 65 -16.226 -4.904 -9.732 1.00 0.00 H new ATOM 1019 N ASP A 66 -9.864 -5.331 -9.364 1.00 0.00 N ATOM 1020 CA ASP A 66 -9.308 -3.998 -9.201 1.00 0.00 C ATOM 1021 C ASP A 66 -8.061 -4.074 -8.318 1.00 0.00 C ATOM 1022 O ASP A 66 -7.738 -3.122 -7.610 1.00 0.00 O ATOM 1023 CB ASP A 66 -10.311 -3.063 -8.522 1.00 0.00 C ATOM 1024 CG ASP A 66 -11.780 -3.450 -8.701 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -12.105 -4.611 -8.370 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -12.545 -2.577 -9.165 1.00 0.00 O ATOM 0 H ASP A 66 -10.135 -5.790 -8.494 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.065 -3.611 -10.191 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.088 -3.028 -7.456 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.166 -2.055 -8.911 1.00 0.00 H new ATOM 1031 N ILE A 67 -7.393 -5.217 -8.390 1.00 0.00 N ATOM 1032 CA ILE A 67 -6.189 -5.430 -7.606 1.00 0.00 C ATOM 1033 C ILE A 67 -4.973 -5.416 -8.534 1.00 0.00 C ATOM 1034 O ILE A 67 -5.111 -5.572 -9.747 1.00 0.00 O ATOM 1035 CB ILE A 67 -6.311 -6.706 -6.771 1.00 0.00 C ATOM 1036 CG1 ILE A 67 -7.329 -7.668 -7.386 1.00 0.00 C ATOM 1037 CG2 ILE A 67 -6.640 -6.378 -5.313 1.00 0.00 C ATOM 1038 CD1 ILE A 67 -7.545 -8.887 -6.487 1.00 0.00 C ATOM 0 H ILE A 67 -7.663 -6.004 -8.979 1.00 0.00 H new ATOM 0 HA ILE A 67 -6.053 -4.620 -6.889 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.346 -7.212 -6.777 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.277 -7.152 -7.538 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.982 -7.992 -8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.721 -7.303 -4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.848 -5.759 -4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -7.586 -5.838 -5.266 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -8.273 -9.554 -6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.600 -9.415 -6.357 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -7.916 -8.561 -5.515 1.00 0.00 H new ATOM 1050 N PRO A 68 -3.778 -5.224 -7.914 1.00 0.00 N ATOM 1051 CA PRO A 68 -3.702 -5.047 -6.474 1.00 0.00 C ATOM 1052 C PRO A 68 -4.178 -3.651 -6.067 1.00 0.00 C ATOM 1053 O PRO A 68 -4.033 -2.696 -6.827 1.00 0.00 O ATOM 1054 CB PRO A 68 -2.246 -5.305 -6.122 1.00 0.00 C ATOM 1055 CG PRO A 68 -1.471 -5.158 -7.421 1.00 0.00 C ATOM 1056 CD PRO A 68 -2.472 -5.169 -8.565 1.00 0.00 C ATOM 0 HA PRO A 68 -4.356 -5.730 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.893 -4.595 -5.374 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.117 -6.302 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.900 -4.229 -7.422 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.755 -5.972 -7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.375 -4.277 -9.184 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.318 -6.028 -9.218 1.00 0.00 H new ATOM 1064 N VAL A 69 -4.737 -3.578 -4.867 1.00 0.00 N ATOM 1065 CA VAL A 69 -5.235 -2.315 -4.350 1.00 0.00 C ATOM 1066 C VAL A 69 -4.300 -1.816 -3.247 1.00 0.00 C ATOM 1067 O VAL A 69 -3.636 -2.612 -2.584 1.00 0.00 O ATOM 1068 CB VAL A 69 -6.682 -2.476 -3.880 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -7.165 -1.219 -3.153 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -7.604 -2.821 -5.051 1.00 0.00 C ATOM 0 H VAL A 69 -4.856 -4.373 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.245 -1.558 -5.135 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.715 -3.305 -3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.196 -1.360 -2.829 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.533 -1.036 -2.284 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.110 -0.365 -3.828 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.626 -2.930 -4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.564 -2.023 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -7.279 -3.756 -5.507 1.00 0.00 H new ATOM 1080 N PHE A 70 -4.277 -0.501 -3.083 1.00 0.00 N ATOM 1081 CA PHE A 70 -3.434 0.112 -2.072 1.00 0.00 C ATOM 1082 C PHE A 70 -4.174 1.243 -1.353 1.00 0.00 C ATOM 1083 O PHE A 70 -4.659 2.176 -1.992 1.00 0.00 O ATOM 1084 CB PHE A 70 -2.218 0.694 -2.795 1.00 0.00 C ATOM 1085 CG PHE A 70 -1.329 -0.357 -3.462 1.00 0.00 C ATOM 1086 CD1 PHE A 70 -1.575 -0.742 -4.743 1.00 0.00 C ATOM 1087 CD2 PHE A 70 -0.292 -0.907 -2.775 1.00 0.00 C ATOM 1088 CE1 PHE A 70 -0.750 -1.718 -5.363 1.00 0.00 C ATOM 1089 CE2 PHE A 70 0.532 -1.883 -3.394 1.00 0.00 C ATOM 1090 CZ PHE A 70 0.286 -2.268 -4.675 1.00 0.00 C ATOM 0 H PHE A 70 -4.829 0.156 -3.634 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.147 -0.630 -1.327 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.561 1.398 -3.553 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.620 1.260 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.398 -0.305 -5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.095 -0.601 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.945 -2.023 -6.380 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.355 -2.320 -2.848 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.913 -3.010 -5.146 1.00 0.00 H new ATOM 1100 N HIS A 71 -4.237 1.122 -0.035 1.00 0.00 N ATOM 1101 CA HIS A 71 -4.910 2.122 0.776 1.00 0.00 C ATOM 1102 C HIS A 71 -3.894 2.808 1.692 1.00 0.00 C ATOM 1103 O HIS A 71 -3.277 2.159 2.536 1.00 0.00 O ATOM 1104 CB HIS A 71 -6.077 1.501 1.546 1.00 0.00 C ATOM 1105 CG HIS A 71 -7.064 0.762 0.674 1.00 0.00 C ATOM 1106 ND1 HIS A 71 -8.070 -0.037 1.190 1.00 0.00 N ATOM 1107 CD2 HIS A 71 -7.190 0.711 -0.684 1.00 0.00 C ATOM 1108 CE1 HIS A 71 -8.762 -0.542 0.180 1.00 0.00 C ATOM 1109 NE2 HIS A 71 -8.216 -0.078 -0.980 1.00 0.00 N ATOM 0 H HIS A 71 -3.833 0.347 0.491 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.342 2.888 0.132 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -5.681 0.813 2.293 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -6.603 2.289 2.086 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -8.248 -0.208 2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.562 1.225 -1.397 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -9.610 -1.205 0.261 1.00 0.00 H new ATOM 1117 N LEU A 72 -3.752 4.110 1.495 1.00 0.00 N ATOM 1118 CA LEU A 72 -2.822 4.891 2.292 1.00 0.00 C ATOM 1119 C LEU A 72 -3.603 5.712 3.320 1.00 0.00 C ATOM 1120 O LEU A 72 -4.323 6.642 2.960 1.00 0.00 O ATOM 1121 CB LEU A 72 -1.919 5.734 1.389 1.00 0.00 C ATOM 1122 CG LEU A 72 -0.413 5.569 1.604 1.00 0.00 C ATOM 1123 CD1 LEU A 72 0.362 6.720 0.960 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -0.085 5.418 3.091 1.00 0.00 C ATOM 0 H LEU A 72 -4.266 4.644 0.794 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.153 4.235 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.147 5.490 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.174 6.784 1.533 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.096 4.651 1.109 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.430 6.578 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 72 0.162 6.739 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.047 7.664 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.992 5.302 3.216 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.420 6.305 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.593 4.539 3.488 1.00 0.00 H new ATOM 1136 N ASN A 73 -3.434 5.338 4.580 1.00 0.00 N ATOM 1137 CA ASN A 73 -4.114 6.028 5.663 1.00 0.00 C ATOM 1138 C ASN A 73 -5.597 5.654 5.649 1.00 0.00 C ATOM 1139 O ASN A 73 -6.444 6.442 6.067 1.00 0.00 O ATOM 1140 CB ASN A 73 -4.008 7.546 5.501 1.00 0.00 C ATOM 1141 CG ASN A 73 -3.350 8.183 6.727 1.00 0.00 C ATOM 1142 OD1 ASN A 73 -4.001 8.558 7.688 1.00 0.00 O ATOM 1143 ND2 ASN A 73 -2.027 8.284 6.640 1.00 0.00 N ATOM 0 H ASN A 73 -2.836 4.566 4.875 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.643 5.731 6.600 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.427 7.781 4.609 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.001 7.970 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.495 8.696 7.407 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.544 7.950 5.806 1.00 0.00 H new ATOM 1150 N GLY A 74 -5.866 4.451 5.163 1.00 0.00 N ATOM 1151 CA GLY A 74 -7.233 3.963 5.088 1.00 0.00 C ATOM 1152 C GLY A 74 -8.015 4.687 3.991 1.00 0.00 C ATOM 1153 O GLY A 74 -9.183 5.026 4.176 1.00 0.00 O ATOM 0 H GLY A 74 -5.161 3.800 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.230 2.891 4.890 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.728 4.108 6.048 1.00 0.00 H new ATOM 1157 N GLN A 75 -7.340 4.903 2.872 1.00 0.00 N ATOM 1158 CA GLN A 75 -7.957 5.581 1.744 1.00 0.00 C ATOM 1159 C GLN A 75 -7.317 5.120 0.433 1.00 0.00 C ATOM 1160 O GLN A 75 -6.115 5.286 0.233 1.00 0.00 O ATOM 1161 CB GLN A 75 -7.859 7.100 1.898 1.00 0.00 C ATOM 1162 CG GLN A 75 -9.204 7.696 2.320 1.00 0.00 C ATOM 1163 CD GLN A 75 -9.101 9.213 2.495 1.00 0.00 C ATOM 1164 OE1 GLN A 75 -8.065 9.820 2.277 1.00 0.00 O ATOM 1165 NE2 GLN A 75 -10.230 9.789 2.899 1.00 0.00 N ATOM 0 H GLN A 75 -6.371 4.621 2.722 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.015 5.318 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -7.099 7.346 2.640 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -7.540 7.545 0.956 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -9.960 7.463 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.531 7.240 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -11.062 9.222 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -10.264 10.798 3.045 1.00 0.00 H new ATOM 1174 N PHE A 76 -8.149 4.550 -0.426 1.00 0.00 N ATOM 1175 CA PHE A 76 -7.680 4.064 -1.712 1.00 0.00 C ATOM 1176 C PHE A 76 -6.656 5.024 -2.321 1.00 0.00 C ATOM 1177 O PHE A 76 -7.022 6.070 -2.856 1.00 0.00 O ATOM 1178 CB PHE A 76 -8.900 3.987 -2.633 1.00 0.00 C ATOM 1179 CG PHE A 76 -8.580 4.227 -4.110 1.00 0.00 C ATOM 1180 CD1 PHE A 76 -7.660 3.449 -4.742 1.00 0.00 C ATOM 1181 CD2 PHE A 76 -9.216 5.217 -4.792 1.00 0.00 C ATOM 1182 CE1 PHE A 76 -7.364 3.671 -6.113 1.00 0.00 C ATOM 1183 CE2 PHE A 76 -8.919 5.440 -6.162 1.00 0.00 C ATOM 1184 CZ PHE A 76 -8.000 4.662 -6.794 1.00 0.00 C ATOM 0 H PHE A 76 -9.146 4.414 -0.256 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.200 3.093 -1.590 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.362 3.005 -2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.636 4.722 -2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.155 2.663 -4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -9.947 5.834 -4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.634 3.053 -6.615 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -9.423 6.228 -6.702 1.00 0.00 H new ATOM 0 HZ PHE A 76 -7.775 4.831 -7.837 1.00 0.00 H new ATOM 1194 N LEU A 77 -5.394 4.635 -2.219 1.00 0.00 N ATOM 1195 CA LEU A 77 -4.314 5.448 -2.753 1.00 0.00 C ATOM 1196 C LEU A 77 -4.160 5.165 -4.248 1.00 0.00 C ATOM 1197 O LEU A 77 -3.983 6.086 -5.043 1.00 0.00 O ATOM 1198 CB LEU A 77 -3.031 5.229 -1.949 1.00 0.00 C ATOM 1199 CG LEU A 77 -1.790 4.848 -2.759 1.00 0.00 C ATOM 1200 CD1 LEU A 77 -1.167 6.079 -3.420 1.00 0.00 C ATOM 1201 CD2 LEU A 77 -0.781 4.091 -1.892 1.00 0.00 C ATOM 0 H LEU A 77 -5.095 3.767 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.548 6.508 -2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.813 6.142 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.215 4.446 -1.214 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.098 4.174 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.287 5.780 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.893 6.539 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.876 6.796 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.092 3.832 -2.492 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.474 4.721 -1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.241 3.180 -1.509 1.00 0.00 H new ATOM 1213 N MET A 78 -4.232 3.886 -4.586 1.00 0.00 N ATOM 1214 CA MET A 78 -4.102 3.469 -5.972 1.00 0.00 C ATOM 1215 C MET A 78 -4.301 1.959 -6.112 1.00 0.00 C ATOM 1216 O MET A 78 -3.988 1.200 -5.196 1.00 0.00 O ATOM 1217 CB MET A 78 -2.715 3.852 -6.492 1.00 0.00 C ATOM 1218 CG MET A 78 -1.641 2.919 -5.928 1.00 0.00 C ATOM 1219 SD MET A 78 -0.031 3.671 -6.092 1.00 0.00 S ATOM 1220 CE MET A 78 0.893 2.684 -4.927 1.00 0.00 C ATOM 0 H MET A 78 -4.379 3.124 -3.924 1.00 0.00 H new ATOM 0 HA MET A 78 -4.871 3.973 -6.557 1.00 0.00 H new ATOM 0 HB2 MET A 78 -2.706 3.807 -7.581 1.00 0.00 H new ATOM 0 HB3 MET A 78 -2.490 4.882 -6.214 1.00 0.00 H new ATOM 0 HG2 MET A 78 -1.847 2.706 -4.879 1.00 0.00 H new ATOM 0 HG3 MET A 78 -1.662 1.966 -6.456 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.959 2.873 -5.055 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.597 2.947 -3.912 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.688 1.628 -5.102 1.00 0.00 H new ATOM 1230 N MET A 79 -4.821 1.567 -7.266 1.00 0.00 N ATOM 1231 CA MET A 79 -5.066 0.161 -7.538 1.00 0.00 C ATOM 1232 C MET A 79 -4.818 -0.164 -9.012 1.00 0.00 C ATOM 1233 O MET A 79 -4.854 0.724 -9.862 1.00 0.00 O ATOM 1234 CB MET A 79 -6.511 -0.185 -7.175 1.00 0.00 C ATOM 1235 CG MET A 79 -7.498 0.637 -8.007 1.00 0.00 C ATOM 1236 SD MET A 79 -9.170 0.115 -7.663 1.00 0.00 S ATOM 1237 CE MET A 79 -9.899 1.683 -7.222 1.00 0.00 C ATOM 0 H MET A 79 -5.079 2.199 -8.024 1.00 0.00 H new ATOM 0 HA MET A 79 -4.378 -0.431 -6.934 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.687 -1.248 -7.341 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.678 0.004 -6.115 1.00 0.00 H new ATOM 0 HG2 MET A 79 -7.385 1.697 -7.778 1.00 0.00 H new ATOM 0 HG3 MET A 79 -7.281 0.515 -9.068 1.00 0.00 H new ATOM 0 HE1 MET A 79 -10.983 1.621 -7.321 1.00 0.00 H new ATOM 0 HE2 MET A 79 -9.642 1.926 -6.191 1.00 0.00 H new ATOM 0 HE3 MET A 79 -9.518 2.461 -7.884 1.00 0.00 H new ATOM 1247 N HIS A 80 -4.571 -1.440 -9.270 1.00 0.00 N ATOM 1248 CA HIS A 80 -4.317 -1.894 -10.627 1.00 0.00 C ATOM 1249 C HIS A 80 -2.824 -1.770 -10.938 1.00 0.00 C ATOM 1250 O HIS A 80 -2.411 -1.926 -12.086 1.00 0.00 O ATOM 1251 CB HIS A 80 -5.196 -1.138 -11.626 1.00 0.00 C ATOM 1252 CG HIS A 80 -6.618 -0.934 -11.161 1.00 0.00 C ATOM 1253 ND1 HIS A 80 -7.448 0.037 -11.692 1.00 0.00 N ATOM 1254 CD2 HIS A 80 -7.348 -1.587 -10.211 1.00 0.00 C ATOM 1255 CE1 HIS A 80 -8.622 -0.036 -11.082 1.00 0.00 C ATOM 1256 NE2 HIS A 80 -8.557 -1.043 -10.164 1.00 0.00 N ATOM 0 H HIS A 80 -4.541 -2.174 -8.562 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.586 -2.946 -10.719 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -4.747 -0.165 -11.826 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.208 -1.684 -12.570 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -7.199 0.697 -12.428 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -7.000 -2.408 -9.601 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.479 0.591 -11.277 1.00 0.00 H new ATOM 1264 N ARG A 81 -2.056 -1.490 -9.896 1.00 0.00 N ATOM 1265 CA ARG A 81 -0.618 -1.343 -10.044 1.00 0.00 C ATOM 1266 C ARG A 81 -0.031 -0.617 -8.831 1.00 0.00 C ATOM 1267 O ARG A 81 -0.724 -0.399 -7.839 1.00 0.00 O ATOM 1268 CB ARG A 81 -0.272 -0.562 -11.313 1.00 0.00 C ATOM 1269 CG ARG A 81 0.216 -1.502 -12.418 1.00 0.00 C ATOM 1270 CD ARG A 81 1.743 -1.503 -12.502 1.00 0.00 C ATOM 1271 NE ARG A 81 2.252 -2.891 -12.444 1.00 0.00 N ATOM 1272 CZ ARG A 81 2.105 -3.788 -13.429 1.00 0.00 C ATOM 1273 NH1 ARG A 81 1.462 -3.447 -14.554 1.00 0.00 N ATOM 1274 NH2 ARG A 81 2.599 -5.025 -13.288 1.00 0.00 N ATOM 0 H ARG A 81 -2.402 -1.361 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.188 -2.342 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.149 -0.014 -11.658 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.499 0.176 -11.092 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.142 -2.513 -12.224 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.204 -1.193 -13.375 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.065 -1.027 -13.428 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.161 -0.919 -11.682 1.00 0.00 H new ATOM 0 HE ARG A 81 2.746 -3.184 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.085 -2.505 -14.660 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.350 -4.129 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.087 -5.285 -12.431 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.487 -5.707 -14.038 1.00 0.00 H new ATOM 1288 N VAL A 82 1.240 -0.264 -8.951 1.00 0.00 N ATOM 1289 CA VAL A 82 1.928 0.433 -7.877 1.00 0.00 C ATOM 1290 C VAL A 82 2.624 1.672 -8.443 1.00 0.00 C ATOM 1291 O VAL A 82 3.812 1.631 -8.759 1.00 0.00 O ATOM 1292 CB VAL A 82 2.890 -0.522 -7.167 1.00 0.00 C ATOM 1293 CG1 VAL A 82 3.472 0.124 -5.908 1.00 0.00 C ATOM 1294 CG2 VAL A 82 2.202 -1.847 -6.836 1.00 0.00 C ATOM 0 H VAL A 82 1.812 -0.447 -9.775 1.00 0.00 H new ATOM 0 HA VAL A 82 1.217 0.775 -7.125 1.00 0.00 H new ATOM 0 HB VAL A 82 3.715 -0.735 -7.847 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.152 -0.575 -5.422 1.00 0.00 H new ATOM 0 HG12 VAL A 82 4.015 1.029 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.663 0.379 -5.223 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.908 -2.507 -6.332 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.349 -1.661 -6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.858 -2.318 -7.757 1.00 0.00 H new ATOM 1304 N ASN A 83 1.855 2.745 -8.553 1.00 0.00 N ATOM 1305 CA ASN A 83 2.382 3.994 -9.075 1.00 0.00 C ATOM 1306 C ASN A 83 3.250 4.662 -8.006 1.00 0.00 C ATOM 1307 O ASN A 83 2.815 5.608 -7.351 1.00 0.00 O ATOM 1308 CB ASN A 83 1.253 4.960 -9.439 1.00 0.00 C ATOM 1309 CG ASN A 83 0.963 4.923 -10.941 1.00 0.00 C ATOM 1310 OD1 ASN A 83 0.087 4.218 -11.413 1.00 0.00 O ATOM 1311 ND2 ASN A 83 1.746 5.721 -11.662 1.00 0.00 N ATOM 0 H ASN A 83 0.870 2.775 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 83 2.964 3.767 -9.969 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.352 4.698 -8.884 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.526 5.973 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.632 5.769 -12.674 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.461 6.285 -11.202 1.00 0.00 H new ATOM 1318 N THR A 84 4.461 4.144 -7.863 1.00 0.00 N ATOM 1319 CA THR A 84 5.393 4.678 -6.885 1.00 0.00 C ATOM 1320 C THR A 84 5.279 6.203 -6.817 1.00 0.00 C ATOM 1321 O THR A 84 5.089 6.767 -5.741 1.00 0.00 O ATOM 1322 CB THR A 84 6.796 4.190 -7.253 1.00 0.00 C ATOM 1323 OG1 THR A 84 6.814 4.226 -8.678 1.00 0.00 O ATOM 1324 CG2 THR A 84 7.009 2.713 -6.915 1.00 0.00 C ATOM 0 H THR A 84 4.818 3.360 -8.408 1.00 0.00 H new ATOM 0 HA THR A 84 5.161 4.320 -5.882 1.00 0.00 H new ATOM 0 HB THR A 84 7.539 4.793 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.689 3.926 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.020 2.418 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.871 2.561 -5.845 1.00 0.00 H new ATOM 0 HG23 THR A 84 6.288 2.107 -7.463 1.00 0.00 H new ATOM 1332 N SER A 85 5.399 6.826 -7.980 1.00 0.00 N ATOM 1333 CA SER A 85 5.312 8.274 -8.066 1.00 0.00 C ATOM 1334 C SER A 85 4.207 8.787 -7.141 1.00 0.00 C ATOM 1335 O SER A 85 4.442 9.669 -6.317 1.00 0.00 O ATOM 1336 CB SER A 85 5.052 8.725 -9.505 1.00 0.00 C ATOM 1337 OG SER A 85 6.255 8.806 -10.264 1.00 0.00 O ATOM 0 H SER A 85 5.556 6.355 -8.871 1.00 0.00 H new ATOM 0 HA SER A 85 6.267 8.694 -7.749 1.00 0.00 H new ATOM 0 HB2 SER A 85 4.366 8.027 -9.985 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.562 9.699 -9.497 1.00 0.00 H new ATOM 0 HG SER A 85 6.047 9.095 -11.177 1.00 0.00 H new ATOM 1343 N LYS A 86 3.025 8.212 -7.308 1.00 0.00 N ATOM 1344 CA LYS A 86 1.882 8.600 -6.498 1.00 0.00 C ATOM 1345 C LYS A 86 2.186 8.315 -5.026 1.00 0.00 C ATOM 1346 O LYS A 86 2.214 9.231 -4.206 1.00 0.00 O ATOM 1347 CB LYS A 86 0.609 7.920 -7.006 1.00 0.00 C ATOM 1348 CG LYS A 86 -0.566 8.900 -7.023 1.00 0.00 C ATOM 1349 CD LYS A 86 -1.350 8.793 -8.332 1.00 0.00 C ATOM 1350 CE LYS A 86 -2.418 7.700 -8.244 1.00 0.00 C ATOM 1351 NZ LYS A 86 -2.261 6.732 -9.352 1.00 0.00 N ATOM 0 H LYS A 86 2.834 7.480 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 86 1.699 9.671 -6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.777 7.530 -8.010 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.368 7.069 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.227 8.695 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.197 9.918 -6.898 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.821 9.750 -8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.667 8.574 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.340 7.183 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.410 8.149 -8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.993 5.997 -9.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.358 7.227 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.321 6.291 -9.297 1.00 0.00 H new ATOM 1365 N LEU A 87 2.406 7.041 -4.736 1.00 0.00 N ATOM 1366 CA LEU A 87 2.706 6.624 -3.377 1.00 0.00 C ATOM 1367 C LEU A 87 3.642 7.647 -2.729 1.00 0.00 C ATOM 1368 O LEU A 87 3.248 8.356 -1.805 1.00 0.00 O ATOM 1369 CB LEU A 87 3.253 5.195 -3.364 1.00 0.00 C ATOM 1370 CG LEU A 87 4.095 4.811 -2.146 1.00 0.00 C ATOM 1371 CD1 LEU A 87 3.255 4.835 -0.867 1.00 0.00 C ATOM 1372 CD2 LEU A 87 4.778 3.458 -2.356 1.00 0.00 C ATOM 0 H LEU A 87 2.382 6.284 -5.419 1.00 0.00 H new ATOM 0 HA LEU A 87 1.797 6.598 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.412 4.505 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.858 5.050 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 87 4.882 5.556 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.879 4.558 -0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.856 5.837 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.432 4.127 -0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 87 5.370 3.209 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.022 2.689 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.429 3.511 -3.228 1.00 0.00 H new ATOM 1384 N GLU A 88 4.864 7.690 -3.241 1.00 0.00 N ATOM 1385 CA GLU A 88 5.859 8.614 -2.723 1.00 0.00 C ATOM 1386 C GLU A 88 5.231 9.987 -2.477 1.00 0.00 C ATOM 1387 O GLU A 88 5.321 10.526 -1.375 1.00 0.00 O ATOM 1388 CB GLU A 88 7.054 8.720 -3.673 1.00 0.00 C ATOM 1389 CG GLU A 88 7.501 7.336 -4.148 1.00 0.00 C ATOM 1390 CD GLU A 88 9.023 7.195 -4.071 1.00 0.00 C ATOM 1391 OE1 GLU A 88 9.547 7.310 -2.943 1.00 0.00 O ATOM 1392 OE2 GLU A 88 9.627 6.974 -5.143 1.00 0.00 O ATOM 0 H GLU A 88 5.187 7.101 -4.008 1.00 0.00 H new ATOM 0 HA GLU A 88 6.225 8.228 -1.772 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.786 9.335 -4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.881 9.220 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 88 7.030 6.568 -3.535 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.169 7.175 -5.173 1.00 0.00 H new ATOM 1399 N LYS A 89 4.609 10.514 -3.522 1.00 0.00 N ATOM 1400 CA LYS A 89 3.966 11.814 -3.432 1.00 0.00 C ATOM 1401 C LYS A 89 3.193 11.907 -2.115 1.00 0.00 C ATOM 1402 O LYS A 89 3.316 12.891 -1.388 1.00 0.00 O ATOM 1403 CB LYS A 89 3.105 12.072 -4.670 1.00 0.00 C ATOM 1404 CG LYS A 89 2.958 13.572 -4.933 1.00 0.00 C ATOM 1405 CD LYS A 89 1.925 14.195 -3.991 1.00 0.00 C ATOM 1406 CE LYS A 89 0.856 14.956 -4.777 1.00 0.00 C ATOM 1407 NZ LYS A 89 0.867 16.391 -4.412 1.00 0.00 N ATOM 0 H LYS A 89 4.537 10.064 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 89 4.713 12.608 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.555 11.590 -5.537 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.120 11.625 -4.532 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.921 14.064 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.657 13.736 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 89 1.455 13.414 -3.393 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.422 14.872 -3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 89 1.035 14.845 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -0.126 14.530 -4.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.135 16.893 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 0.674 16.492 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.799 16.797 -4.630 1.00 0.00 H new ATOM 1421 N GLN A 90 2.415 10.869 -1.848 1.00 0.00 N ATOM 1422 CA GLN A 90 1.622 10.821 -0.632 1.00 0.00 C ATOM 1423 C GLN A 90 2.535 10.742 0.594 1.00 0.00 C ATOM 1424 O GLN A 90 2.406 11.540 1.521 1.00 0.00 O ATOM 1425 CB GLN A 90 0.642 9.646 -0.662 1.00 0.00 C ATOM 1426 CG GLN A 90 -0.404 9.833 -1.763 1.00 0.00 C ATOM 1427 CD GLN A 90 -1.203 11.120 -1.547 1.00 0.00 C ATOM 1428 OE1 GLN A 90 -2.199 11.152 -0.842 1.00 0.00 O ATOM 1429 NE2 GLN A 90 -0.713 12.175 -2.191 1.00 0.00 N ATOM 0 H GLN A 90 2.317 10.054 -2.453 1.00 0.00 H new ATOM 0 HA GLN A 90 1.037 11.738 -0.567 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.187 8.717 -0.828 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.146 9.557 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.088 9.865 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.081 8.978 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.125 12.078 -2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.175 13.081 -2.111 1.00 0.00 H new ATOM 1438 N LEU A 91 3.437 9.772 0.558 1.00 0.00 N ATOM 1439 CA LEU A 91 4.371 9.579 1.654 1.00 0.00 C ATOM 1440 C LEU A 91 4.800 10.942 2.200 1.00 0.00 C ATOM 1441 O LEU A 91 4.583 11.241 3.373 1.00 0.00 O ATOM 1442 CB LEU A 91 5.541 8.698 1.212 1.00 0.00 C ATOM 1443 CG LEU A 91 5.281 7.190 1.206 1.00 0.00 C ATOM 1444 CD1 LEU A 91 6.393 6.444 0.465 1.00 0.00 C ATOM 1445 CD2 LEU A 91 5.086 6.662 2.629 1.00 0.00 C ATOM 0 H LEU A 91 3.541 9.112 -0.213 1.00 0.00 H new ATOM 0 HA LEU A 91 3.891 9.044 2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.837 8.999 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.388 8.898 1.868 1.00 0.00 H new ATOM 0 HG LEU A 91 4.354 7.006 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.183 5.374 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.441 6.794 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.347 6.632 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 91 4.903 5.588 2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.983 6.860 3.216 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.233 7.162 3.089 1.00 0.00 H new