USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 652 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 87 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.828 K(o=-0.83,f=-0.2) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.00224 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 29 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.65) USER MOD Single : A 35 CYS SG : rot 29:sc= 0.412 USER MOD Single : A 38 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.38) USER MOD Single : A 44 MET CE :methyl -162:sc= -2.34 (180deg=-3.07!) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 49 ASN : amide:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.594 K(o=-0.59,f=-5!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 1.02 (180deg=0.863) USER MOD Single : A 77 SER OG : rot 49:sc= 0.628 USER MOD Single : A 78 GLN : amide:sc= -0.0414 X(o=-0.041,f=-0.44) USER MOD Single : A 81 SER OG : rot -140:sc= -0.906 USER MOD Single : A 82 GLN : amide:sc=-0.000709 X(o=-0.00071,f=0) USER MOD Single : A 83 THR OG1 : rot 106:sc= 1.24 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -6.462 9.359 2.871 1.00 0.00 N ATOM 187 CA PHE A 17 -6.600 8.340 1.836 1.00 0.00 C ATOM 188 C PHE A 17 -6.812 6.961 2.454 1.00 0.00 C ATOM 189 O PHE A 17 -7.585 6.152 1.942 1.00 0.00 O ATOM 190 CB PHE A 17 -5.362 8.322 0.938 1.00 0.00 C ATOM 191 CG PHE A 17 -5.146 9.607 0.189 1.00 0.00 C ATOM 192 CD1 PHE A 17 -6.121 10.101 -0.663 1.00 0.00 C ATOM 193 CD2 PHE A 17 -3.967 10.320 0.337 1.00 0.00 C ATOM 194 CE1 PHE A 17 -5.924 11.282 -1.352 1.00 0.00 C ATOM 195 CE2 PHE A 17 -3.765 11.502 -0.351 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.745 11.983 -1.197 1.00 0.00 C ATOM 0 HA PHE A 17 -7.474 8.588 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.483 8.114 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.454 7.505 0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.045 9.557 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.197 9.948 0.997 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.692 11.657 -2.012 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.842 12.049 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.589 12.906 -1.736 1.00 0.00 H new ATOM 206 N ILE A 18 -6.118 6.700 3.557 1.00 0.00 N ATOM 207 CA ILE A 18 -6.228 5.420 4.244 1.00 0.00 C ATOM 208 C ILE A 18 -6.125 5.595 5.755 1.00 0.00 C ATOM 209 O ILE A 18 -5.380 6.445 6.243 1.00 0.00 O ATOM 210 CB ILE A 18 -5.138 4.436 3.778 1.00 0.00 C ATOM 211 CG1 ILE A 18 -5.084 4.388 2.250 1.00 0.00 C ATOM 212 CG2 ILE A 18 -5.395 3.049 4.349 1.00 0.00 C ATOM 213 CD1 ILE A 18 -4.028 3.448 1.711 1.00 0.00 C ATOM 0 H ILE A 18 -5.473 7.359 3.994 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.207 5.012 3.994 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.173 4.785 4.146 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.059 4.083 1.870 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.894 5.392 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.616 2.366 4.010 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.387 3.097 5.438 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.366 2.690 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.047 3.465 0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.046 3.765 2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.229 2.436 2.061 1.00 0.00 H new ATOM 225 N THR A 19 -6.880 4.785 6.492 1.00 0.00 N ATOM 226 CA THR A 19 -6.874 4.850 7.948 1.00 0.00 C ATOM 227 C THR A 19 -6.068 3.699 8.542 1.00 0.00 C ATOM 228 O THR A 19 -5.575 2.835 7.817 1.00 0.00 O ATOM 229 CB THR A 19 -8.305 4.814 8.487 1.00 0.00 C ATOM 230 OG1 THR A 19 -9.048 3.778 7.871 1.00 0.00 O ATOM 231 CG2 THR A 19 -9.058 6.109 8.270 1.00 0.00 C ATOM 0 H THR A 19 -7.503 4.077 6.104 1.00 0.00 H new ATOM 0 HA THR A 19 -6.405 5.789 8.242 1.00 0.00 H new ATOM 0 HB THR A 19 -8.205 4.644 9.559 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.960 3.771 8.231 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.066 6.016 8.675 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.537 6.922 8.776 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.114 6.323 7.203 1.00 0.00 H new ATOM 239 N LYS A 20 -5.936 3.695 9.865 1.00 0.00 N ATOM 240 CA LYS A 20 -5.190 2.649 10.556 1.00 0.00 C ATOM 241 C LYS A 20 -6.044 1.397 10.726 1.00 0.00 C ATOM 242 O LYS A 20 -5.554 0.276 10.591 1.00 0.00 O ATOM 243 CB LYS A 20 -4.716 3.145 11.924 1.00 0.00 C ATOM 244 CG LYS A 20 -4.271 4.599 11.929 1.00 0.00 C ATOM 245 CD LYS A 20 -3.229 4.861 13.007 1.00 0.00 C ATOM 246 CE LYS A 20 -3.713 5.894 14.012 1.00 0.00 C ATOM 247 NZ LYS A 20 -4.527 5.277 15.095 1.00 0.00 N ATOM 0 H LYS A 20 -6.336 4.404 10.480 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.320 2.398 9.949 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.523 3.019 12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.888 2.520 12.260 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.859 4.858 10.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.134 5.244 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.997 3.930 13.524 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.305 5.207 12.544 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.855 6.405 14.449 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.306 6.650 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.838 6.015 15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.360 4.811 14.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.953 4.574 15.603 1.00 0.00 H new ATOM 261 N GLU A 21 -7.323 1.598 11.026 1.00 0.00 N ATOM 262 CA GLU A 21 -8.247 0.487 11.217 1.00 0.00 C ATOM 263 C GLU A 21 -8.334 -0.373 9.959 1.00 0.00 C ATOM 264 O GLU A 21 -8.482 -1.592 10.038 1.00 0.00 O ATOM 265 CB GLU A 21 -9.636 1.010 11.588 1.00 0.00 C ATOM 266 CG GLU A 21 -10.627 -0.089 11.934 1.00 0.00 C ATOM 267 CD GLU A 21 -10.414 -0.649 13.326 1.00 0.00 C ATOM 268 OE1 GLU A 21 -10.737 0.055 14.305 1.00 0.00 O ATOM 269 OE2 GLU A 21 -9.923 -1.792 13.437 1.00 0.00 O ATOM 0 H GLU A 21 -7.743 2.520 11.142 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.869 -0.131 12.031 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.545 1.687 12.438 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.029 1.594 10.756 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.641 0.303 11.855 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.540 -0.895 11.205 1.00 0.00 H new ATOM 276 N LYS A 22 -8.239 0.271 8.801 1.00 0.00 N ATOM 277 CA LYS A 22 -8.308 -0.433 7.526 1.00 0.00 C ATOM 278 C LYS A 22 -7.183 -1.458 7.409 1.00 0.00 C ATOM 279 O LYS A 22 -7.425 -2.632 7.133 1.00 0.00 O ATOM 280 CB LYS A 22 -8.232 0.560 6.365 1.00 0.00 C ATOM 281 CG LYS A 22 -9.592 0.974 5.829 1.00 0.00 C ATOM 282 CD LYS A 22 -9.485 2.179 4.909 1.00 0.00 C ATOM 283 CE LYS A 22 -10.699 3.088 5.032 1.00 0.00 C ATOM 284 NZ LYS A 22 -11.565 3.023 3.823 1.00 0.00 N ATOM 0 H LYS A 22 -8.114 1.280 8.719 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.261 -0.959 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.694 1.449 6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.651 0.117 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.040 0.141 5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.256 1.208 6.661 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.583 2.742 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.385 1.842 3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.279 2.803 5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.369 4.115 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.381 3.656 3.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.019 3.319 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.901 2.048 3.688 1.00 0.00 H new ATOM 298 N LYS A 23 -5.951 -1.003 7.620 1.00 0.00 N ATOM 299 CA LYS A 23 -4.787 -1.877 7.538 1.00 0.00 C ATOM 300 C LYS A 23 -4.909 -3.043 8.514 1.00 0.00 C ATOM 301 O LYS A 23 -4.417 -4.140 8.252 1.00 0.00 O ATOM 302 CB LYS A 23 -3.509 -1.088 7.826 1.00 0.00 C ATOM 303 CG LYS A 23 -3.083 -0.183 6.682 1.00 0.00 C ATOM 304 CD LYS A 23 -2.622 1.176 7.186 1.00 0.00 C ATOM 305 CE LYS A 23 -1.243 1.096 7.820 1.00 0.00 C ATOM 306 NZ LYS A 23 -0.676 2.446 8.092 1.00 0.00 N ATOM 0 H LYS A 23 -5.734 -0.033 7.849 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.738 -2.279 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.659 -0.483 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.702 -1.787 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.276 -0.657 6.123 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.916 -0.052 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.603 1.885 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.337 1.557 7.915 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.304 0.534 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.572 0.547 7.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.265 2.347 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.593 2.974 7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.303 2.961 8.742 1.00 0.00 H new ATOM 320 N ASP A 24 -5.569 -2.797 9.641 1.00 0.00 N ATOM 321 CA ASP A 24 -5.755 -3.827 10.657 1.00 0.00 C ATOM 322 C ASP A 24 -6.585 -4.984 10.113 1.00 0.00 C ATOM 323 O ASP A 24 -6.235 -6.150 10.292 1.00 0.00 O ATOM 324 CB ASP A 24 -6.434 -3.234 11.894 1.00 0.00 C ATOM 325 CG ASP A 24 -5.928 -3.852 13.183 1.00 0.00 C ATOM 326 OD1 ASP A 24 -5.984 -5.092 13.309 1.00 0.00 O ATOM 327 OD2 ASP A 24 -5.476 -3.093 14.066 1.00 0.00 O ATOM 0 H ASP A 24 -5.984 -1.895 9.874 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.773 -4.209 10.937 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.263 -2.158 11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.511 -3.384 11.821 1.00 0.00 H new ATOM 332 N THR A 25 -7.688 -4.654 9.447 1.00 0.00 N ATOM 333 CA THR A 25 -8.569 -5.666 8.876 1.00 0.00 C ATOM 334 C THR A 25 -7.826 -6.529 7.861 1.00 0.00 C ATOM 335 O THR A 25 -8.037 -7.739 7.789 1.00 0.00 O ATOM 336 CB THR A 25 -9.776 -5.003 8.212 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.214 -3.887 8.966 1.00 0.00 O ATOM 338 CG2 THR A 25 -10.956 -5.936 8.046 1.00 0.00 C ATOM 0 H THR A 25 -7.992 -3.693 9.290 1.00 0.00 H new ATOM 0 HA THR A 25 -8.914 -6.309 9.686 1.00 0.00 H new ATOM 0 HB THR A 25 -9.431 -4.701 7.223 1.00 0.00 H new ATOM 0 HG1 THR A 25 -10.986 -3.476 8.524 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.778 -5.402 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.665 -6.784 7.426 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.276 -6.295 9.024 1.00 0.00 H new ATOM 346 N VAL A 26 -6.957 -5.897 7.079 1.00 0.00 N ATOM 347 CA VAL A 26 -6.184 -6.607 6.067 1.00 0.00 C ATOM 348 C VAL A 26 -5.321 -7.696 6.696 1.00 0.00 C ATOM 349 O VAL A 26 -5.290 -8.830 6.217 1.00 0.00 O ATOM 350 CB VAL A 26 -5.278 -5.644 5.276 1.00 0.00 C ATOM 351 CG1 VAL A 26 -4.620 -6.365 4.110 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.075 -4.443 4.788 1.00 0.00 C ATOM 0 H VAL A 26 -6.771 -4.895 7.127 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.901 -7.065 5.385 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.492 -5.285 5.941 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.984 -5.668 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.015 -7.190 4.487 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.389 -6.755 3.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.420 -3.773 4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.883 -4.782 4.140 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.494 -3.913 5.643 1.00 0.00 H new ATOM 362 N LEU A 27 -4.621 -7.346 7.770 1.00 0.00 N ATOM 363 CA LEU A 27 -3.758 -8.295 8.463 1.00 0.00 C ATOM 364 C LEU A 27 -4.581 -9.277 9.291 1.00 0.00 C ATOM 365 O LEU A 27 -4.196 -10.434 9.465 1.00 0.00 O ATOM 366 CB LEU A 27 -2.768 -7.556 9.364 1.00 0.00 C ATOM 367 CG LEU A 27 -2.079 -6.352 8.719 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.414 -5.487 9.778 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.060 -6.813 7.688 1.00 0.00 C ATOM 0 H LEU A 27 -4.635 -6.412 8.179 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.204 -8.857 7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.295 -7.219 10.257 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.003 -8.260 9.692 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.835 -5.752 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.929 -4.636 9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.167 -5.129 10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.669 -6.076 10.313 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.579 -5.944 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.307 -7.434 8.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.563 -7.391 6.913 1.00 0.00 H new ATOM 381 N ARG A 28 -5.716 -8.808 9.800 1.00 0.00 N ATOM 382 CA ARG A 28 -6.594 -9.644 10.611 1.00 0.00 C ATOM 383 C ARG A 28 -7.062 -10.864 9.824 1.00 0.00 C ATOM 384 O ARG A 28 -7.090 -11.979 10.346 1.00 0.00 O ATOM 385 CB ARG A 28 -7.800 -8.835 11.094 1.00 0.00 C ATOM 386 CG ARG A 28 -8.024 -8.916 12.595 1.00 0.00 C ATOM 387 CD ARG A 28 -9.485 -8.693 12.955 1.00 0.00 C ATOM 388 NE ARG A 28 -10.085 -9.878 13.563 1.00 0.00 N ATOM 389 CZ ARG A 28 -9.899 -10.235 14.831 1.00 0.00 C ATOM 390 NH1 ARG A 28 -9.131 -9.503 15.629 1.00 0.00 N ATOM 391 NH2 ARG A 28 -10.484 -11.328 15.305 1.00 0.00 N ATOM 0 H ARG A 28 -6.049 -7.853 9.665 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.030 -9.990 11.477 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.664 -7.791 10.811 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.694 -9.190 10.582 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.704 -9.892 12.959 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.407 -8.170 13.096 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.564 -7.852 13.644 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.043 -8.424 12.058 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.682 -10.466 12.981 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.680 -8.661 15.271 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.992 -9.782 16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.076 -11.894 14.697 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.342 -11.602 16.277 1.00 0.00 H new ATOM 405 N GLN A 29 -7.431 -10.645 8.567 1.00 0.00 N ATOM 406 CA GLN A 29 -7.900 -11.726 7.707 1.00 0.00 C ATOM 407 C GLN A 29 -6.775 -12.711 7.409 1.00 0.00 C ATOM 408 O GLN A 29 -7.017 -13.899 7.195 1.00 0.00 O ATOM 409 CB GLN A 29 -8.459 -11.161 6.400 1.00 0.00 C ATOM 410 CG GLN A 29 -9.695 -10.297 6.590 1.00 0.00 C ATOM 411 CD GLN A 29 -10.733 -10.519 5.508 1.00 0.00 C ATOM 412 OE1 GLN A 29 -11.429 -11.534 5.499 1.00 0.00 O ATOM 413 NE2 GLN A 29 -10.841 -9.568 4.587 1.00 0.00 N ATOM 0 H GLN A 29 -7.415 -9.728 8.120 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.693 -12.257 8.233 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.685 -10.571 5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.702 -11.987 5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.138 -10.512 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.402 -9.247 6.598 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.243 -8.743 4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.522 -9.663 3.833 1.00 0.00 H new ATOM 422 N VAL A 30 -5.543 -12.211 7.394 1.00 0.00 N ATOM 423 CA VAL A 30 -4.381 -13.048 7.121 1.00 0.00 C ATOM 424 C VAL A 30 -3.885 -13.732 8.391 1.00 0.00 C ATOM 425 O VAL A 30 -3.406 -14.866 8.350 1.00 0.00 O ATOM 426 CB VAL A 30 -3.229 -12.230 6.509 1.00 0.00 C ATOM 427 CG1 VAL A 30 -2.103 -13.148 6.056 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.734 -11.379 5.351 1.00 0.00 C ATOM 0 H VAL A 30 -5.324 -11.230 7.568 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.699 -13.805 6.404 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.835 -11.562 7.275 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.298 -12.552 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.723 -13.708 6.911 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.480 -13.843 5.306 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.906 -10.808 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.156 -12.025 4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.502 -10.694 5.711 1.00 0.00 H new ATOM 438 N ARG A 31 -4.005 -13.037 9.517 1.00 0.00 N ATOM 439 CA ARG A 31 -3.569 -13.581 10.799 1.00 0.00 C ATOM 440 C ARG A 31 -4.301 -14.881 11.116 1.00 0.00 C ATOM 441 O ARG A 31 -3.758 -15.765 11.780 1.00 0.00 O ATOM 442 CB ARG A 31 -3.806 -12.562 11.916 1.00 0.00 C ATOM 443 CG ARG A 31 -2.606 -11.671 12.191 1.00 0.00 C ATOM 444 CD ARG A 31 -3.028 -10.335 12.780 1.00 0.00 C ATOM 445 NE ARG A 31 -1.907 -9.632 13.400 1.00 0.00 N ATOM 446 CZ ARG A 31 -1.906 -8.327 13.668 1.00 0.00 C ATOM 447 NH1 ARG A 31 -2.964 -7.582 13.372 1.00 0.00 N ATOM 448 NH2 ARG A 31 -0.846 -7.767 14.233 1.00 0.00 N ATOM 0 H ARG A 31 -4.400 -12.098 9.569 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.502 -13.794 10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.659 -11.937 11.651 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.071 -13.093 12.830 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.927 -12.175 12.879 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.056 -11.504 11.265 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.457 -9.712 11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.810 -10.497 13.522 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.076 -10.172 13.642 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.782 -8.008 12.937 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.959 -6.583 13.579 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.031 -8.335 14.463 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.846 -6.768 14.438 1.00 0.00 H new ATOM 462 N LEU A 32 -5.535 -14.992 10.637 1.00 0.00 N ATOM 463 CA LEU A 32 -6.341 -16.185 10.868 1.00 0.00 C ATOM 464 C LEU A 32 -5.749 -17.390 10.144 1.00 0.00 C ATOM 465 O LEU A 32 -5.465 -18.418 10.758 1.00 0.00 O ATOM 466 CB LEU A 32 -7.780 -15.952 10.403 1.00 0.00 C ATOM 467 CG LEU A 32 -8.682 -15.247 11.418 1.00 0.00 C ATOM 468 CD1 LEU A 32 -10.010 -14.872 10.779 1.00 0.00 C ATOM 469 CD2 LEU A 32 -8.904 -16.130 12.636 1.00 0.00 C ATOM 0 H LEU A 32 -5.999 -14.270 10.086 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.341 -16.391 11.938 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.759 -15.362 9.487 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.225 -16.915 10.151 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.187 -14.332 11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.639 -14.372 11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.833 -14.202 9.938 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.511 -15.773 10.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.548 -15.613 13.348 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.378 -17.062 12.328 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.945 -16.349 13.106 1.00 0.00 H new ATOM 481 N ASP A 33 -5.567 -17.255 8.834 1.00 0.00 N ATOM 482 CA ASP A 33 -5.010 -18.334 8.026 1.00 0.00 C ATOM 483 C ASP A 33 -4.056 -17.784 6.968 1.00 0.00 C ATOM 484 O ASP A 33 -4.087 -16.595 6.649 1.00 0.00 O ATOM 485 CB ASP A 33 -6.132 -19.130 7.356 1.00 0.00 C ATOM 486 CG ASP A 33 -6.453 -20.412 8.100 1.00 0.00 C ATOM 487 OD1 ASP A 33 -6.708 -20.343 9.321 1.00 0.00 O ATOM 488 OD2 ASP A 33 -6.450 -21.485 7.460 1.00 0.00 O ATOM 0 H ASP A 33 -5.797 -16.410 8.310 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.449 -18.997 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.028 -18.512 7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.843 -19.369 6.333 1.00 0.00 H new ATOM 493 N PRO A 34 -3.191 -18.647 6.407 1.00 0.00 N ATOM 494 CA PRO A 34 -2.226 -18.242 5.381 1.00 0.00 C ATOM 495 C PRO A 34 -2.896 -17.910 4.053 1.00 0.00 C ATOM 496 O PRO A 34 -3.874 -18.549 3.663 1.00 0.00 O ATOM 497 CB PRO A 34 -1.327 -19.472 5.233 1.00 0.00 C ATOM 498 CG PRO A 34 -2.179 -20.617 5.656 1.00 0.00 C ATOM 499 CD PRO A 34 -3.087 -20.083 6.729 1.00 0.00 C ATOM 0 HA PRO A 34 -1.689 -17.336 5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.986 -19.591 4.205 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.437 -19.389 5.857 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.754 -21.007 4.816 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.570 -21.438 6.033 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.062 -20.571 6.710 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.671 -20.242 7.724 1.00 0.00 H new ATOM 507 N CYS A 35 -2.364 -16.908 3.361 1.00 0.00 N ATOM 508 CA CYS A 35 -2.911 -16.490 2.076 1.00 0.00 C ATOM 509 C CYS A 35 -1.822 -15.898 1.189 1.00 0.00 C ATOM 510 O CYS A 35 -0.711 -15.630 1.648 1.00 0.00 O ATOM 511 CB CYS A 35 -4.029 -15.466 2.283 1.00 0.00 C ATOM 512 SG CYS A 35 -5.640 -16.197 2.656 1.00 0.00 S ATOM 0 H CYS A 35 -1.554 -16.370 3.669 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.321 -17.370 1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.748 -14.797 3.097 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.118 -14.855 1.385 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.470 -17.338 3.255 1.00 0.00 H new ATOM 518 N ASP A 36 -2.146 -15.696 -0.085 1.00 0.00 N ATOM 519 CA ASP A 36 -1.194 -15.136 -1.036 1.00 0.00 C ATOM 520 C ASP A 36 -1.067 -13.627 -0.853 1.00 0.00 C ATOM 521 O ASP A 36 -2.067 -12.910 -0.814 1.00 0.00 O ATOM 522 CB ASP A 36 -1.625 -15.457 -2.468 1.00 0.00 C ATOM 523 CG ASP A 36 -0.474 -15.960 -3.319 1.00 0.00 C ATOM 524 OD1 ASP A 36 0.235 -16.885 -2.870 1.00 0.00 O ATOM 525 OD2 ASP A 36 -0.283 -15.430 -4.433 1.00 0.00 O ATOM 0 H ASP A 36 -3.061 -15.912 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.220 -15.588 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.414 -16.209 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.049 -14.563 -2.926 1.00 0.00 H new ATOM 530 N LEU A 37 0.170 -13.151 -0.743 1.00 0.00 N ATOM 531 CA LEU A 37 0.427 -11.727 -0.565 1.00 0.00 C ATOM 532 C LEU A 37 1.519 -11.246 -1.515 1.00 0.00 C ATOM 533 O LEU A 37 2.243 -10.298 -1.213 1.00 0.00 O ATOM 534 CB LEU A 37 0.830 -11.437 0.882 1.00 0.00 C ATOM 535 CG LEU A 37 -0.043 -12.107 1.944 1.00 0.00 C ATOM 536 CD1 LEU A 37 0.569 -11.931 3.326 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.454 -11.540 1.907 1.00 0.00 C ATOM 0 H LEU A 37 1.009 -13.731 -0.774 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.492 -11.187 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.862 -11.757 1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.806 -10.359 1.041 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.095 -13.174 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.066 -12.414 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.560 -12.384 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.651 -10.868 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.062 -12.028 2.669 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.420 -10.468 2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.892 -11.718 0.925 1.00 0.00 H new ATOM 549 N GLN A 38 1.634 -11.905 -2.663 1.00 0.00 N ATOM 550 CA GLN A 38 2.641 -11.542 -3.655 1.00 0.00 C ATOM 551 C GLN A 38 2.070 -10.568 -4.685 1.00 0.00 C ATOM 552 O GLN A 38 2.633 -9.498 -4.914 1.00 0.00 O ATOM 553 CB GLN A 38 3.178 -12.795 -4.352 1.00 0.00 C ATOM 554 CG GLN A 38 4.695 -12.871 -4.382 1.00 0.00 C ATOM 555 CD GLN A 38 5.313 -12.737 -3.004 1.00 0.00 C ATOM 556 OE1 GLN A 38 5.064 -13.553 -2.116 1.00 0.00 O ATOM 557 NE2 GLN A 38 6.125 -11.702 -2.817 1.00 0.00 N ATOM 0 H GLN A 38 1.043 -12.693 -2.930 1.00 0.00 H new ATOM 0 HA GLN A 38 3.462 -11.047 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.788 -13.678 -3.845 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.801 -12.822 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.999 -13.821 -4.822 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.082 -12.083 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.304 -11.050 -3.580 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.569 -11.560 -1.910 1.00 0.00 H new ATOM 566 N PRO A 39 0.941 -10.925 -5.324 1.00 0.00 N ATOM 567 CA PRO A 39 0.304 -10.071 -6.332 1.00 0.00 C ATOM 568 C PRO A 39 0.006 -8.672 -5.802 1.00 0.00 C ATOM 569 O PRO A 39 -0.032 -7.705 -6.562 1.00 0.00 O ATOM 570 CB PRO A 39 -1.001 -10.805 -6.655 1.00 0.00 C ATOM 571 CG PRO A 39 -0.742 -12.225 -6.288 1.00 0.00 C ATOM 572 CD PRO A 39 0.198 -12.183 -5.116 1.00 0.00 C ATOM 0 HA PRO A 39 0.948 -9.919 -7.198 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.836 -10.396 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.257 -10.710 -7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.669 -12.736 -6.027 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.301 -12.770 -7.123 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.340 -12.181 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.864 -13.046 -5.103 1.00 0.00 H new ATOM 580 N ILE A 40 -0.207 -8.574 -4.494 1.00 0.00 N ATOM 581 CA ILE A 40 -0.503 -7.294 -3.861 1.00 0.00 C ATOM 582 C ILE A 40 0.718 -6.379 -3.861 1.00 0.00 C ATOM 583 O ILE A 40 0.588 -5.156 -3.796 1.00 0.00 O ATOM 584 CB ILE A 40 -0.989 -7.483 -2.411 1.00 0.00 C ATOM 585 CG1 ILE A 40 -2.113 -8.521 -2.356 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.457 -6.157 -1.831 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.620 -8.787 -0.955 1.00 0.00 C ATOM 0 H ILE A 40 -0.180 -9.366 -3.852 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.297 -6.831 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.155 -7.846 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.942 -8.180 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.755 -9.456 -2.788 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.797 -6.308 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.632 -5.445 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.278 -5.767 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.415 -9.532 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.803 -9.158 -0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.008 -7.863 -0.527 1.00 0.00 H new ATOM 599 N PHE A 41 1.905 -6.975 -3.927 1.00 0.00 N ATOM 600 CA PHE A 41 3.145 -6.207 -3.930 1.00 0.00 C ATOM 601 C PHE A 41 3.691 -6.048 -5.345 1.00 0.00 C ATOM 602 O PHE A 41 4.027 -4.944 -5.770 1.00 0.00 O ATOM 603 CB PHE A 41 4.189 -6.884 -3.041 1.00 0.00 C ATOM 604 CG PHE A 41 3.993 -6.621 -1.575 1.00 0.00 C ATOM 605 CD1 PHE A 41 3.049 -7.331 -0.850 1.00 0.00 C ATOM 606 CD2 PHE A 41 4.753 -5.663 -0.923 1.00 0.00 C ATOM 607 CE1 PHE A 41 2.867 -7.091 0.498 1.00 0.00 C ATOM 608 CE2 PHE A 41 4.575 -5.418 0.426 1.00 0.00 C ATOM 609 CZ PHE A 41 3.631 -6.134 1.137 1.00 0.00 C ATOM 0 H PHE A 41 2.034 -7.985 -3.979 1.00 0.00 H new ATOM 0 HA PHE A 41 2.926 -5.215 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.160 -7.960 -3.216 1.00 0.00 H new ATOM 0 HB3 PHE A 41 5.181 -6.540 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.449 -8.080 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.492 -5.102 -1.475 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.128 -7.651 1.052 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.173 -4.668 0.923 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.491 -5.946 2.191 1.00 0.00 H new ATOM 619 N ASP A 42 3.782 -7.160 -6.069 1.00 0.00 N ATOM 620 CA ASP A 42 4.292 -7.144 -7.436 1.00 0.00 C ATOM 621 C ASP A 42 3.506 -6.172 -8.311 1.00 0.00 C ATOM 622 O ASP A 42 4.017 -5.680 -9.319 1.00 0.00 O ATOM 623 CB ASP A 42 4.234 -8.549 -8.038 1.00 0.00 C ATOM 624 CG ASP A 42 5.427 -8.848 -8.926 1.00 0.00 C ATOM 625 OD1 ASP A 42 6.495 -9.206 -8.384 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.294 -8.725 -10.161 1.00 0.00 O ATOM 0 H ASP A 42 3.509 -8.083 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 42 5.328 -6.808 -7.401 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.190 -9.284 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.317 -8.655 -8.618 1.00 0.00 H new ATOM 631 N ASP A 43 2.264 -5.898 -7.926 1.00 0.00 N ATOM 632 CA ASP A 43 1.413 -4.986 -8.683 1.00 0.00 C ATOM 633 C ASP A 43 1.534 -3.557 -8.160 1.00 0.00 C ATOM 634 O ASP A 43 1.356 -2.596 -8.909 1.00 0.00 O ATOM 635 CB ASP A 43 -0.045 -5.443 -8.615 1.00 0.00 C ATOM 636 CG ASP A 43 -0.813 -5.114 -9.880 1.00 0.00 C ATOM 637 OD1 ASP A 43 -0.482 -5.685 -10.941 1.00 0.00 O ATOM 638 OD2 ASP A 43 -1.744 -4.285 -9.811 1.00 0.00 O ATOM 0 H ASP A 43 1.824 -6.294 -7.095 1.00 0.00 H new ATOM 0 HA ASP A 43 1.746 -5.000 -9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.078 -6.519 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.532 -4.968 -7.763 1.00 0.00 H new ATOM 643 N MET A 44 1.834 -3.424 -6.872 1.00 0.00 N ATOM 644 CA MET A 44 1.974 -2.110 -6.252 1.00 0.00 C ATOM 645 C MET A 44 3.415 -1.611 -6.320 1.00 0.00 C ATOM 646 O MET A 44 3.677 -0.423 -6.130 1.00 0.00 O ATOM 647 CB MET A 44 1.509 -2.162 -4.795 1.00 0.00 C ATOM 648 CG MET A 44 0.029 -2.469 -4.640 1.00 0.00 C ATOM 649 SD MET A 44 -1.021 -1.284 -5.501 1.00 0.00 S ATOM 650 CE MET A 44 -0.520 0.246 -4.717 1.00 0.00 C ATOM 0 H MET A 44 1.985 -4.208 -6.238 1.00 0.00 H new ATOM 0 HA MET A 44 1.348 -1.412 -6.807 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.086 -2.920 -4.265 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.725 -1.206 -4.319 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.172 -3.470 -5.021 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.228 -2.473 -3.581 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.276 1.011 -4.895 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.411 0.086 -3.644 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.433 0.573 -5.134 1.00 0.00 H new ATOM 660 N LEU A 45 4.349 -2.521 -6.589 1.00 0.00 N ATOM 661 CA LEU A 45 5.762 -2.165 -6.679 1.00 0.00 C ATOM 662 C LEU A 45 5.980 -1.016 -7.661 1.00 0.00 C ATOM 663 O LEU A 45 6.916 -0.230 -7.514 1.00 0.00 O ATOM 664 CB LEU A 45 6.589 -3.379 -7.106 1.00 0.00 C ATOM 665 CG LEU A 45 7.026 -4.299 -5.966 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.524 -5.628 -6.512 1.00 0.00 C ATOM 667 CD2 LEU A 45 8.103 -3.629 -5.125 1.00 0.00 C ATOM 0 H LEU A 45 4.152 -3.509 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 45 6.088 -1.838 -5.692 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.008 -3.962 -7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.478 -3.028 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 45 6.162 -4.493 -5.330 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.830 -6.269 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.725 -6.114 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.374 -5.455 -7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.403 -4.297 -4.318 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.967 -3.406 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.712 -2.703 -4.703 1.00 0.00 H new ATOM 679 N HIS A 46 5.112 -0.925 -8.663 1.00 0.00 N ATOM 680 CA HIS A 46 5.211 0.128 -9.667 1.00 0.00 C ATOM 681 C HIS A 46 4.711 1.460 -9.116 1.00 0.00 C ATOM 682 O HIS A 46 5.152 2.525 -9.548 1.00 0.00 O ATOM 683 CB HIS A 46 4.413 -0.253 -10.916 1.00 0.00 C ATOM 684 CG HIS A 46 4.875 0.443 -12.158 1.00 0.00 C ATOM 685 ND1 HIS A 46 6.134 0.299 -12.695 1.00 0.00 N ATOM 686 CD2 HIS A 46 4.215 1.303 -12.976 1.00 0.00 C ATOM 687 CE1 HIS A 46 6.201 1.058 -13.797 1.00 0.00 C ATOM 688 NE2 HIS A 46 5.062 1.689 -14.011 1.00 0.00 N ATOM 0 H HIS A 46 4.332 -1.568 -8.801 1.00 0.00 H new ATOM 0 HA HIS A 46 6.262 0.240 -9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.482 -1.330 -11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.361 -0.021 -10.750 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.196 1.635 -12.844 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.073 1.142 -14.428 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.847 2.328 -14.777 1.00 0.00 H new ATOM 696 N PHE A 47 3.789 1.393 -8.161 1.00 0.00 N ATOM 697 CA PHE A 47 3.229 2.594 -7.554 1.00 0.00 C ATOM 698 C PHE A 47 4.207 3.209 -6.556 1.00 0.00 C ATOM 699 O PHE A 47 4.230 4.425 -6.364 1.00 0.00 O ATOM 700 CB PHE A 47 1.908 2.269 -6.854 1.00 0.00 C ATOM 701 CG PHE A 47 0.803 1.903 -7.804 1.00 0.00 C ATOM 702 CD1 PHE A 47 0.791 0.667 -8.431 1.00 0.00 C ATOM 703 CD2 PHE A 47 -0.224 2.794 -8.068 1.00 0.00 C ATOM 704 CE1 PHE A 47 -0.225 0.328 -9.305 1.00 0.00 C ATOM 705 CE2 PHE A 47 -1.242 2.461 -8.941 1.00 0.00 C ATOM 706 CZ PHE A 47 -1.242 1.226 -9.561 1.00 0.00 C ATOM 0 H PHE A 47 3.414 0.519 -7.791 1.00 0.00 H new ATOM 0 HA PHE A 47 3.045 3.318 -8.348 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.067 1.445 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.598 3.130 -6.262 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.584 -0.039 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.229 3.760 -7.586 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.223 -0.638 -9.787 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.037 3.165 -9.139 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.036 0.964 -10.244 1.00 0.00 H new ATOM 716 N LEU A 48 5.012 2.361 -5.924 1.00 0.00 N ATOM 717 CA LEU A 48 5.991 2.824 -4.946 1.00 0.00 C ATOM 718 C LEU A 48 7.319 3.154 -5.619 1.00 0.00 C ATOM 719 O LEU A 48 7.506 2.895 -6.807 1.00 0.00 O ATOM 720 CB LEU A 48 6.204 1.762 -3.865 1.00 0.00 C ATOM 721 CG LEU A 48 5.009 1.539 -2.932 1.00 0.00 C ATOM 722 CD1 LEU A 48 4.561 0.086 -2.972 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.358 1.951 -1.509 1.00 0.00 C ATOM 0 H LEU A 48 5.006 1.352 -6.071 1.00 0.00 H new ATOM 0 HA LEU A 48 5.604 3.732 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.449 0.817 -4.349 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.068 2.046 -3.263 1.00 0.00 H new ATOM 0 HG LEU A 48 4.184 2.161 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.712 -0.051 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.268 -0.177 -3.989 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.382 -0.557 -2.653 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.497 1.786 -0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.199 1.356 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.628 3.007 -1.492 1.00 0.00 H new ATOM 735 N ASN A 49 8.239 3.728 -4.850 1.00 0.00 N ATOM 736 CA ASN A 49 9.552 4.094 -5.372 1.00 0.00 C ATOM 737 C ASN A 49 10.656 3.321 -4.656 1.00 0.00 C ATOM 738 O ASN A 49 10.449 2.793 -3.563 1.00 0.00 O ATOM 739 CB ASN A 49 9.784 5.598 -5.216 1.00 0.00 C ATOM 740 CG ASN A 49 9.103 6.404 -6.306 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.762 6.998 -7.159 1.00 0.00 O ATOM 742 ND2 ASN A 49 7.776 6.427 -6.283 1.00 0.00 N ATOM 0 H ASN A 49 8.100 3.950 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 49 9.580 3.836 -6.431 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.413 5.921 -4.243 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.855 5.801 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.263 6.952 -6.991 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.270 5.920 -5.557 1.00 0.00 H new ATOM 749 N PRO A 50 11.852 3.243 -5.266 1.00 0.00 N ATOM 750 CA PRO A 50 12.991 2.529 -4.682 1.00 0.00 C ATOM 751 C PRO A 50 13.277 2.965 -3.249 1.00 0.00 C ATOM 752 O PRO A 50 13.615 2.146 -2.395 1.00 0.00 O ATOM 753 CB PRO A 50 14.157 2.908 -5.598 1.00 0.00 C ATOM 754 CG PRO A 50 13.520 3.238 -6.904 1.00 0.00 C ATOM 755 CD PRO A 50 12.185 3.843 -6.572 1.00 0.00 C ATOM 0 HA PRO A 50 12.810 1.456 -4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.712 3.759 -5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.865 2.085 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.134 3.936 -7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 50 13.402 2.345 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.240 4.930 -6.512 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.436 3.603 -7.327 1.00 0.00 H new ATOM 763 N GLU A 51 13.138 4.262 -2.992 1.00 0.00 N ATOM 764 CA GLU A 51 13.381 4.808 -1.662 1.00 0.00 C ATOM 765 C GLU A 51 12.308 4.349 -0.680 1.00 0.00 C ATOM 766 O GLU A 51 12.584 4.126 0.498 1.00 0.00 O ATOM 767 CB GLU A 51 13.423 6.336 -1.713 1.00 0.00 C ATOM 768 CG GLU A 51 14.184 6.964 -0.557 1.00 0.00 C ATOM 769 CD GLU A 51 15.604 7.337 -0.930 1.00 0.00 C ATOM 770 OE1 GLU A 51 16.126 6.779 -1.919 1.00 0.00 O ATOM 771 OE2 GLU A 51 16.198 8.188 -0.233 1.00 0.00 O ATOM 0 H GLU A 51 12.858 4.954 -3.687 1.00 0.00 H new ATOM 0 HA GLU A 51 14.346 4.437 -1.317 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.883 6.647 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.403 6.719 -1.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.655 7.855 -0.220 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.203 6.268 0.282 1.00 0.00 H new ATOM 778 N GLU A 52 11.082 4.212 -1.174 1.00 0.00 N ATOM 779 CA GLU A 52 9.966 3.779 -0.341 1.00 0.00 C ATOM 780 C GLU A 52 10.023 2.276 -0.090 1.00 0.00 C ATOM 781 O GLU A 52 9.629 1.798 0.975 1.00 0.00 O ATOM 782 CB GLU A 52 8.636 4.147 -1.002 1.00 0.00 C ATOM 783 CG GLU A 52 8.404 5.645 -1.109 1.00 0.00 C ATOM 784 CD GLU A 52 7.223 5.991 -1.994 1.00 0.00 C ATOM 785 OE1 GLU A 52 6.348 5.119 -2.183 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.172 7.132 -2.498 1.00 0.00 O ATOM 0 H GLU A 52 10.836 4.395 -2.147 1.00 0.00 H new ATOM 0 HA GLU A 52 10.042 4.292 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.603 3.710 -2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.821 3.701 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.239 6.055 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.301 6.120 -1.505 1.00 0.00 H new ATOM 793 N LEU A 53 10.515 1.535 -1.077 1.00 0.00 N ATOM 794 CA LEU A 53 10.623 0.086 -0.964 1.00 0.00 C ATOM 795 C LEU A 53 11.760 -0.307 -0.024 1.00 0.00 C ATOM 796 O LEU A 53 11.712 -1.356 0.618 1.00 0.00 O ATOM 797 CB LEU A 53 10.849 -0.538 -2.344 1.00 0.00 C ATOM 798 CG LEU A 53 9.714 -0.321 -3.345 1.00 0.00 C ATOM 799 CD1 LEU A 53 10.095 -0.868 -4.712 1.00 0.00 C ATOM 800 CD2 LEU A 53 8.433 -0.972 -2.846 1.00 0.00 C ATOM 0 H LEU A 53 10.845 1.915 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 53 9.688 -0.290 -0.549 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.768 -0.129 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.004 -1.610 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 53 9.540 0.751 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.275 -0.704 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.987 -0.356 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.297 -1.936 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.635 -0.808 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.594 -2.043 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.150 -0.533 -1.889 1.00 0.00 H new ATOM 812 N ARG A 54 12.780 0.542 0.051 1.00 0.00 N ATOM 813 CA ARG A 54 13.929 0.282 0.912 1.00 0.00 C ATOM 814 C ARG A 54 13.496 0.119 2.367 1.00 0.00 C ATOM 815 O ARG A 54 14.119 -0.618 3.131 1.00 0.00 O ATOM 816 CB ARG A 54 14.946 1.420 0.797 1.00 0.00 C ATOM 817 CG ARG A 54 16.351 1.024 1.225 1.00 0.00 C ATOM 818 CD ARG A 54 17.246 0.762 0.023 1.00 0.00 C ATOM 819 NE ARG A 54 18.663 0.882 0.361 1.00 0.00 N ATOM 820 CZ ARG A 54 19.639 0.927 -0.543 1.00 0.00 C ATOM 821 NH1 ARG A 54 19.358 0.862 -1.838 1.00 0.00 N ATOM 822 NH2 ARG A 54 20.902 1.037 -0.150 1.00 0.00 N ATOM 0 H ARG A 54 12.835 1.415 -0.473 1.00 0.00 H new ATOM 0 HA ARG A 54 14.393 -0.648 0.584 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.974 1.769 -0.235 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.612 2.259 1.408 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.783 1.816 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.305 0.130 1.847 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.049 -0.237 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.002 1.467 -0.772 1.00 0.00 H new ATOM 0 HE ARG A 54 18.919 0.934 1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.389 0.777 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.111 0.897 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.124 1.087 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.650 1.072 -0.842 1.00 0.00 H new ATOM 836 N VAL A 55 12.425 0.811 2.740 1.00 0.00 N ATOM 837 CA VAL A 55 11.909 0.743 4.102 1.00 0.00 C ATOM 838 C VAL A 55 11.124 -0.545 4.330 1.00 0.00 C ATOM 839 O VAL A 55 11.109 -1.088 5.435 1.00 0.00 O ATOM 840 CB VAL A 55 11.002 1.946 4.421 1.00 0.00 C ATOM 841 CG1 VAL A 55 10.636 1.965 5.897 1.00 0.00 C ATOM 842 CG2 VAL A 55 11.679 3.246 4.015 1.00 0.00 C ATOM 0 H VAL A 55 11.898 1.425 2.119 1.00 0.00 H new ATOM 0 HA VAL A 55 12.772 0.762 4.767 1.00 0.00 H new ATOM 0 HB VAL A 55 10.082 1.846 3.845 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.995 2.822 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.107 1.047 6.152 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.544 2.039 6.496 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.024 4.086 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 55 12.616 3.354 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 55 11.883 3.231 2.944 1.00 0.00 H new ATOM 852 N ILE A 56 10.473 -1.029 3.278 1.00 0.00 N ATOM 853 CA ILE A 56 9.685 -2.252 3.362 1.00 0.00 C ATOM 854 C ILE A 56 10.565 -3.486 3.195 1.00 0.00 C ATOM 855 O ILE A 56 10.274 -4.548 3.746 1.00 0.00 O ATOM 856 CB ILE A 56 8.573 -2.281 2.296 1.00 0.00 C ATOM 857 CG1 ILE A 56 7.797 -0.963 2.301 1.00 0.00 C ATOM 858 CG2 ILE A 56 7.637 -3.455 2.537 1.00 0.00 C ATOM 859 CD1 ILE A 56 6.888 -0.793 1.104 1.00 0.00 C ATOM 0 H ILE A 56 10.476 -0.592 2.356 1.00 0.00 H new ATOM 0 HA ILE A 56 9.229 -2.265 4.352 1.00 0.00 H new ATOM 0 HB ILE A 56 9.034 -2.406 1.316 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.200 -0.905 3.211 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.504 -0.134 2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.857 -3.461 1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.201 -4.386 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.181 -3.360 3.522 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.370 0.163 1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.481 -0.818 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.157 -1.601 1.084 1.00 0.00 H new ATOM 871 N GLU A 57 11.643 -3.341 2.431 1.00 0.00 N ATOM 872 CA GLU A 57 12.566 -4.444 2.192 1.00 0.00 C ATOM 873 C GLU A 57 13.149 -4.962 3.503 1.00 0.00 C ATOM 874 O GLU A 57 13.424 -6.154 3.645 1.00 0.00 O ATOM 875 CB GLU A 57 13.694 -3.998 1.257 1.00 0.00 C ATOM 876 CG GLU A 57 13.533 -4.497 -0.171 1.00 0.00 C ATOM 877 CD GLU A 57 14.807 -5.105 -0.724 1.00 0.00 C ATOM 878 OE1 GLU A 57 15.704 -4.337 -1.129 1.00 0.00 O ATOM 879 OE2 GLU A 57 14.907 -6.349 -0.753 1.00 0.00 O ATOM 0 H GLU A 57 11.899 -2.470 1.967 1.00 0.00 H new ATOM 0 HA GLU A 57 12.010 -5.254 1.720 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.740 -2.909 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.645 -4.354 1.653 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.736 -5.240 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.224 -3.669 -0.809 1.00 0.00 H new ATOM 886 N GLU A 58 13.336 -4.058 4.459 1.00 0.00 N ATOM 887 CA GLU A 58 13.887 -4.424 5.759 1.00 0.00 C ATOM 888 C GLU A 58 13.022 -5.477 6.444 1.00 0.00 C ATOM 889 O GLU A 58 13.530 -6.351 7.146 1.00 0.00 O ATOM 890 CB GLU A 58 14.006 -3.187 6.653 1.00 0.00 C ATOM 891 CG GLU A 58 14.889 -2.096 6.068 1.00 0.00 C ATOM 892 CD GLU A 58 14.559 -0.722 6.616 1.00 0.00 C ATOM 893 OE1 GLU A 58 13.943 -0.648 7.701 1.00 0.00 O ATOM 894 OE2 GLU A 58 14.916 0.280 5.962 1.00 0.00 O ATOM 0 H GLU A 58 13.114 -3.067 4.358 1.00 0.00 H new ATOM 0 HA GLU A 58 14.879 -4.846 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.010 -2.781 6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.406 -3.486 7.622 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.933 -2.326 6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 58 14.778 -2.087 4.984 1.00 0.00 H new ATOM 901 N ILE A 59 11.713 -5.388 6.236 1.00 0.00 N ATOM 902 CA ILE A 59 10.777 -6.334 6.832 1.00 0.00 C ATOM 903 C ILE A 59 10.842 -7.690 6.130 1.00 0.00 C ATOM 904 O ILE A 59 10.440 -7.814 4.972 1.00 0.00 O ATOM 905 CB ILE A 59 9.330 -5.807 6.771 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.264 -4.371 7.292 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.403 -6.710 7.569 1.00 0.00 C ATOM 908 CD1 ILE A 59 7.873 -3.777 7.253 1.00 0.00 C ATOM 0 H ILE A 59 11.276 -4.670 5.659 1.00 0.00 H new ATOM 0 HA ILE A 59 11.069 -6.453 7.875 1.00 0.00 H new ATOM 0 HB ILE A 59 9.002 -5.811 5.732 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.631 -4.348 8.318 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.933 -3.747 6.700 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.385 -6.324 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.431 -7.718 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.727 -6.736 8.609 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.902 -2.757 7.637 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.510 -3.767 6.225 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.203 -4.378 7.869 1.00 0.00 H new ATOM 920 N PRO A 60 11.349 -8.730 6.818 1.00 0.00 N ATOM 921 CA PRO A 60 11.459 -10.074 6.243 1.00 0.00 C ATOM 922 C PRO A 60 10.102 -10.755 6.096 1.00 0.00 C ATOM 923 O PRO A 60 9.808 -11.358 5.064 1.00 0.00 O ATOM 924 CB PRO A 60 12.325 -10.823 7.257 1.00 0.00 C ATOM 925 CG PRO A 60 12.078 -10.127 8.549 1.00 0.00 C ATOM 926 CD PRO A 60 11.854 -8.680 8.205 1.00 0.00 C ATOM 0 HA PRO A 60 11.877 -10.054 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.047 -11.875 7.314 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.379 -10.786 6.982 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.210 -10.546 9.058 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.928 -10.241 9.222 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.134 -8.214 8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.776 -8.103 8.276 1.00 0.00 H new ATOM 934 N GLN A 61 9.280 -10.656 7.136 1.00 0.00 N ATOM 935 CA GLN A 61 7.954 -11.263 7.123 1.00 0.00 C ATOM 936 C GLN A 61 7.082 -10.642 6.037 1.00 0.00 C ATOM 937 O GLN A 61 7.330 -9.522 5.591 1.00 0.00 O ATOM 938 CB GLN A 61 7.283 -11.101 8.488 1.00 0.00 C ATOM 939 CG GLN A 61 7.928 -11.930 9.585 1.00 0.00 C ATOM 940 CD GLN A 61 8.809 -11.103 10.501 1.00 0.00 C ATOM 941 OE1 GLN A 61 9.248 -10.012 10.138 1.00 0.00 O ATOM 942 NE2 GLN A 61 9.070 -11.619 11.696 1.00 0.00 N ATOM 0 H GLN A 61 9.509 -10.161 7.998 1.00 0.00 H new ATOM 0 HA GLN A 61 8.070 -12.325 6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.311 -10.050 8.775 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.233 -11.380 8.403 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.149 -12.413 10.175 1.00 0.00 H new ATOM 0 HG3 GLN A 61 8.524 -12.723 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.685 -12.527 11.955 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.656 -11.107 12.356 1.00 0.00 H new ATOM 951 N ALA A 62 6.058 -11.378 5.615 1.00 0.00 N ATOM 952 CA ALA A 62 5.148 -10.901 4.582 1.00 0.00 C ATOM 953 C ALA A 62 3.973 -10.143 5.192 1.00 0.00 C ATOM 954 O ALA A 62 3.455 -9.198 4.598 1.00 0.00 O ATOM 955 CB ALA A 62 4.648 -12.065 3.741 1.00 0.00 C ATOM 0 H ALA A 62 5.839 -12.307 5.974 1.00 0.00 H new ATOM 0 HA ALA A 62 5.696 -10.212 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.969 -11.694 2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.495 -12.562 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.121 -12.775 4.379 1.00 0.00 H new ATOM 961 N GLU A 63 3.558 -10.565 6.382 1.00 0.00 N ATOM 962 CA GLU A 63 2.444 -9.926 7.073 1.00 0.00 C ATOM 963 C GLU A 63 2.783 -8.484 7.434 1.00 0.00 C ATOM 964 O GLU A 63 2.038 -7.560 7.111 1.00 0.00 O ATOM 965 CB GLU A 63 2.084 -10.709 8.336 1.00 0.00 C ATOM 966 CG GLU A 63 0.620 -10.590 8.728 1.00 0.00 C ATOM 967 CD GLU A 63 0.194 -11.653 9.722 1.00 0.00 C ATOM 968 OE1 GLU A 63 0.798 -11.722 10.813 1.00 0.00 O ATOM 969 OE2 GLU A 63 -0.743 -12.417 9.409 1.00 0.00 O ATOM 0 H GLU A 63 3.976 -11.346 6.888 1.00 0.00 H new ATOM 0 HA GLU A 63 1.586 -9.921 6.400 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.326 -11.761 8.183 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.703 -10.356 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.442 -9.604 9.157 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.001 -10.665 7.834 1.00 0.00 H new ATOM 976 N ASP A 64 3.915 -8.299 8.107 1.00 0.00 N ATOM 977 CA ASP A 64 4.355 -6.969 8.512 1.00 0.00 C ATOM 978 C ASP A 64 4.684 -6.109 7.296 1.00 0.00 C ATOM 979 O ASP A 64 4.545 -4.886 7.332 1.00 0.00 O ATOM 980 CB ASP A 64 5.578 -7.070 9.425 1.00 0.00 C ATOM 981 CG ASP A 64 5.199 -7.221 10.885 1.00 0.00 C ATOM 982 OD1 ASP A 64 4.076 -7.693 11.161 1.00 0.00 O ATOM 983 OD2 ASP A 64 6.025 -6.869 11.753 1.00 0.00 O ATOM 0 H ASP A 64 4.544 -9.053 8.383 1.00 0.00 H new ATOM 0 HA ASP A 64 3.539 -6.495 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.186 -7.922 9.120 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.194 -6.179 9.303 1.00 0.00 H new ATOM 988 N LYS A 65 5.122 -6.756 6.221 1.00 0.00 N ATOM 989 CA LYS A 65 5.473 -6.050 4.992 1.00 0.00 C ATOM 990 C LYS A 65 4.283 -5.256 4.460 1.00 0.00 C ATOM 991 O LYS A 65 4.440 -4.137 3.973 1.00 0.00 O ATOM 992 CB LYS A 65 5.958 -7.042 3.932 1.00 0.00 C ATOM 993 CG LYS A 65 7.192 -6.573 3.181 1.00 0.00 C ATOM 994 CD LYS A 65 8.136 -7.727 2.883 1.00 0.00 C ATOM 995 CE LYS A 65 9.372 -7.255 2.135 1.00 0.00 C ATOM 996 NZ LYS A 65 9.968 -8.341 1.307 1.00 0.00 N ATOM 0 H LYS A 65 5.243 -7.768 6.175 1.00 0.00 H new ATOM 0 HA LYS A 65 6.277 -5.351 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.176 -7.996 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.154 -7.220 3.218 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.892 -6.097 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.713 -5.819 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.434 -8.205 3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.616 -8.480 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.110 -6.413 1.495 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.113 -6.894 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.809 -7.979 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.242 -9.135 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.270 -8.668 0.609 1.00 0.00 H new ATOM 1010 N LEU A 66 3.095 -5.844 4.555 1.00 0.00 N ATOM 1011 CA LEU A 66 1.880 -5.191 4.082 1.00 0.00 C ATOM 1012 C LEU A 66 1.562 -3.956 4.920 1.00 0.00 C ATOM 1013 O LEU A 66 1.107 -2.940 4.396 1.00 0.00 O ATOM 1014 CB LEU A 66 0.702 -6.168 4.125 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.415 -5.879 3.120 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.065 -6.136 1.700 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.642 -6.724 3.431 1.00 0.00 C ATOM 0 H LEU A 66 2.948 -6.771 4.955 1.00 0.00 H new ATOM 0 HA LEU A 66 2.045 -4.875 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.078 -7.175 3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.278 -6.159 5.129 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.691 -4.828 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.743 -5.925 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.914 -5.489 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.368 -7.178 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.427 -6.506 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.380 -7.781 3.375 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.999 -6.491 4.434 1.00 0.00 H new ATOM 1029 N ASP A 67 1.806 -4.053 6.222 1.00 0.00 N ATOM 1030 CA ASP A 67 1.546 -2.945 7.133 1.00 0.00 C ATOM 1031 C ASP A 67 2.367 -1.718 6.749 1.00 0.00 C ATOM 1032 O ASP A 67 1.946 -0.582 6.968 1.00 0.00 O ATOM 1033 CB ASP A 67 1.863 -3.354 8.572 1.00 0.00 C ATOM 1034 CG ASP A 67 0.994 -2.633 9.585 1.00 0.00 C ATOM 1035 OD1 ASP A 67 0.595 -1.483 9.311 1.00 0.00 O ATOM 1036 OD2 ASP A 67 0.715 -3.220 10.651 1.00 0.00 O ATOM 0 H ASP A 67 2.184 -4.888 6.670 1.00 0.00 H new ATOM 0 HA ASP A 67 0.489 -2.690 7.059 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.725 -4.430 8.680 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.912 -3.145 8.783 1.00 0.00 H new ATOM 1041 N ARG A 68 3.543 -1.955 6.176 1.00 0.00 N ATOM 1042 CA ARG A 68 4.425 -0.869 5.764 1.00 0.00 C ATOM 1043 C ARG A 68 4.025 -0.331 4.393 1.00 0.00 C ATOM 1044 O ARG A 68 4.209 0.851 4.102 1.00 0.00 O ATOM 1045 CB ARG A 68 5.877 -1.349 5.731 1.00 0.00 C ATOM 1046 CG ARG A 68 6.892 -0.227 5.890 1.00 0.00 C ATOM 1047 CD ARG A 68 7.535 -0.240 7.269 1.00 0.00 C ATOM 1048 NE ARG A 68 7.053 0.854 8.108 1.00 0.00 N ATOM 1049 CZ ARG A 68 5.903 0.826 8.778 1.00 0.00 C ATOM 1050 NH1 ARG A 68 5.112 -0.239 8.711 1.00 0.00 N ATOM 1051 NH2 ARG A 68 5.542 1.865 9.518 1.00 0.00 N ATOM 0 H ARG A 68 3.907 -2.889 5.987 1.00 0.00 H new ATOM 0 HA ARG A 68 4.331 -0.063 6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.028 -2.080 6.526 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.060 -1.862 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.665 -0.325 5.127 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.402 0.733 5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.325 -1.191 7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.618 -0.167 7.165 1.00 0.00 H new ATOM 0 HE ARG A 68 7.632 1.690 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.384 -1.042 8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.232 -0.254 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.145 2.686 9.574 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.661 1.844 10.031 1.00 0.00 H new ATOM 1065 N LEU A 69 3.478 -1.205 3.555 1.00 0.00 N ATOM 1066 CA LEU A 69 3.055 -0.817 2.214 1.00 0.00 C ATOM 1067 C LEU A 69 1.963 0.246 2.272 1.00 0.00 C ATOM 1068 O LEU A 69 1.866 1.097 1.388 1.00 0.00 O ATOM 1069 CB LEU A 69 2.553 -2.039 1.441 1.00 0.00 C ATOM 1070 CG LEU A 69 2.538 -1.882 -0.080 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.938 -2.049 -0.647 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.581 -2.884 -0.709 1.00 0.00 C ATOM 0 H LEU A 69 3.317 -2.187 3.780 1.00 0.00 H new ATOM 0 HA LEU A 69 3.917 -0.397 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.179 -2.894 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.543 -2.272 1.777 1.00 0.00 H new ATOM 0 HG LEU A 69 2.190 -0.877 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.908 -1.934 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.596 -1.292 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.316 -3.041 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.583 -2.758 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.899 -3.896 -0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.575 -2.716 -0.326 1.00 0.00 H new ATOM 1084 N PHE A 70 1.145 0.191 3.317 1.00 0.00 N ATOM 1085 CA PHE A 70 0.060 1.150 3.489 1.00 0.00 C ATOM 1086 C PHE A 70 0.554 2.418 4.179 1.00 0.00 C ATOM 1087 O PHE A 70 0.001 3.500 3.981 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.077 0.525 4.300 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.884 -0.479 3.526 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.274 -1.580 2.948 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.253 -0.322 3.380 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.014 -2.504 2.236 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -3.998 -1.243 2.669 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.377 -2.336 2.097 1.00 0.00 C ATOM 0 H PHE A 70 1.212 -0.507 4.058 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.311 1.419 2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.659 0.041 5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.738 1.316 4.653 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.208 -1.718 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.743 0.530 3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.526 -3.357 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.064 -1.108 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.957 -3.058 1.542 1.00 0.00 H new ATOM 1104 N GLU A 71 1.597 2.278 4.990 1.00 0.00 N ATOM 1105 CA GLU A 71 2.164 3.413 5.711 1.00 0.00 C ATOM 1106 C GLU A 71 2.726 4.450 4.742 1.00 0.00 C ATOM 1107 O GLU A 71 2.733 5.646 5.033 1.00 0.00 O ATOM 1108 CB GLU A 71 3.261 2.940 6.667 1.00 0.00 C ATOM 1109 CG GLU A 71 3.177 3.572 8.047 1.00 0.00 C ATOM 1110 CD GLU A 71 4.075 4.786 8.188 1.00 0.00 C ATOM 1111 OE1 GLU A 71 5.202 4.757 7.650 1.00 0.00 O ATOM 1112 OE2 GLU A 71 3.650 5.766 8.835 1.00 0.00 O ATOM 0 H GLU A 71 2.067 1.390 5.165 1.00 0.00 H new ATOM 0 HA GLU A 71 1.366 3.880 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.201 1.856 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.234 3.166 6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.146 3.862 8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.452 2.832 8.799 1.00 0.00 H new ATOM 1119 N ILE A 72 3.199 3.983 3.591 1.00 0.00 N ATOM 1120 CA ILE A 72 3.765 4.870 2.582 1.00 0.00 C ATOM 1121 C ILE A 72 2.693 5.357 1.611 1.00 0.00 C ATOM 1122 O ILE A 72 2.429 6.555 1.512 1.00 0.00 O ATOM 1123 CB ILE A 72 4.883 4.173 1.784 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.878 3.504 2.735 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.594 5.171 0.883 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.757 2.472 2.063 1.00 0.00 C ATOM 0 H ILE A 72 3.201 2.996 3.334 1.00 0.00 H new ATOM 0 HA ILE A 72 4.185 5.724 3.114 1.00 0.00 H new ATOM 0 HB ILE A 72 4.434 3.403 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.510 4.270 3.184 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.328 3.028 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.381 4.662 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.878 5.605 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.033 5.962 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.437 2.040 2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.134 1.685 1.637 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.334 2.947 1.270 1.00 0.00 H new ATOM 1138 N ILE A 73 2.081 4.419 0.896 1.00 0.00 N ATOM 1139 CA ILE A 73 1.038 4.753 -0.068 1.00 0.00 C ATOM 1140 C ILE A 73 -0.170 5.382 0.619 1.00 0.00 C ATOM 1141 O ILE A 73 -0.932 6.122 -0.003 1.00 0.00 O ATOM 1142 CB ILE A 73 0.580 3.508 -0.855 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.786 2.789 -1.463 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -0.412 3.901 -1.940 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.417 1.551 -2.254 1.00 0.00 C ATOM 0 H ILE A 73 2.289 3.423 0.965 1.00 0.00 H new ATOM 0 HA ILE A 73 1.470 5.474 -0.762 1.00 0.00 H new ATOM 0 HB ILE A 73 0.083 2.825 -0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.321 3.480 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.472 2.509 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.725 3.011 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.283 4.372 -1.484 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.060 4.602 -2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.321 1.093 -2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.909 0.841 -1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.755 1.827 -3.075 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.341 5.086 1.904 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.459 5.634 2.650 1.00 0.00 C ATOM 1159 C GLY A 74 -1.501 7.149 2.614 1.00 0.00 C ATOM 1160 O GLY A 74 -2.563 7.752 2.773 1.00 0.00 O ATOM 0 H GLY A 74 0.275 4.476 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.390 5.239 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.397 5.301 3.686 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.344 7.770 2.405 1.00 0.00 N ATOM 1165 CA VAL A 75 -0.255 9.224 2.350 1.00 0.00 C ATOM 1166 C VAL A 75 0.334 9.691 1.022 1.00 0.00 C ATOM 1167 O VAL A 75 1.113 10.643 0.977 1.00 0.00 O ATOM 1168 CB VAL A 75 0.601 9.780 3.505 1.00 0.00 C ATOM 1169 CG1 VAL A 75 -0.050 9.475 4.846 1.00 0.00 C ATOM 1170 CG2 VAL A 75 2.012 9.213 3.447 1.00 0.00 C ATOM 0 H VAL A 75 0.545 7.288 2.271 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.271 9.606 2.446 1.00 0.00 H new ATOM 0 HB VAL A 75 0.666 10.863 3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.568 9.875 5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.037 9.935 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.148 8.396 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.601 9.617 4.270 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.971 8.127 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.476 9.488 2.500 1.00 0.00 H new ATOM 1180 N LYS A 76 -0.044 9.015 -0.058 1.00 0.00 N ATOM 1181 CA LYS A 76 0.446 9.362 -1.386 1.00 0.00 C ATOM 1182 C LYS A 76 -0.633 10.074 -2.196 1.00 0.00 C ATOM 1183 O LYS A 76 -0.534 11.271 -2.464 1.00 0.00 O ATOM 1184 CB LYS A 76 0.911 8.106 -2.127 1.00 0.00 C ATOM 1185 CG LYS A 76 2.231 8.286 -2.859 1.00 0.00 C ATOM 1186 CD LYS A 76 2.419 7.232 -3.938 1.00 0.00 C ATOM 1187 CE LYS A 76 3.351 6.123 -3.478 1.00 0.00 C ATOM 1188 NZ LYS A 76 4.746 6.338 -3.951 1.00 0.00 N ATOM 0 H LYS A 76 -0.688 8.224 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 76 1.292 10.039 -1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.009 7.288 -1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.144 7.812 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.266 9.278 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.054 8.229 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.451 6.808 -4.206 1.00 0.00 H new ATOM 0 HD3 LYS A 76 2.822 7.698 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.341 6.069 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.986 5.165 -3.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.377 5.650 -3.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.786 6.213 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.051 7.302 -3.707 1.00 0.00 H new ATOM 1202 N SER A 77 -1.662 9.329 -2.584 1.00 0.00 N ATOM 1203 CA SER A 77 -2.759 9.888 -3.365 1.00 0.00 C ATOM 1204 C SER A 77 -3.918 8.900 -3.458 1.00 0.00 C ATOM 1205 O SER A 77 -3.781 7.732 -3.097 1.00 0.00 O ATOM 1206 CB SER A 77 -2.276 10.260 -4.767 1.00 0.00 C ATOM 1207 OG SER A 77 -1.979 11.644 -4.854 1.00 0.00 O ATOM 0 H SER A 77 -1.759 8.336 -2.370 1.00 0.00 H new ATOM 0 HA SER A 77 -3.111 10.787 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.388 9.678 -5.016 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.041 10.002 -5.499 1.00 0.00 H new ATOM 0 HG SER A 77 -1.409 11.904 -4.100 1.00 0.00 H new ATOM 1213 N GLN A 78 -5.059 9.379 -3.942 1.00 0.00 N ATOM 1214 CA GLN A 78 -6.242 8.539 -4.083 1.00 0.00 C ATOM 1215 C GLN A 78 -6.073 7.541 -5.226 1.00 0.00 C ATOM 1216 O GLN A 78 -6.690 6.475 -5.227 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.480 9.404 -4.326 1.00 0.00 C ATOM 1218 CG GLN A 78 -7.349 10.330 -5.524 1.00 0.00 C ATOM 1219 CD GLN A 78 -7.843 11.734 -5.233 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -8.771 11.928 -4.449 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -7.222 12.722 -5.866 1.00 0.00 N ATOM 0 H GLN A 78 -5.189 10.345 -4.243 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.371 7.981 -3.156 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.344 8.755 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.676 10.001 -3.435 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -6.305 10.373 -5.833 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.912 9.917 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.457 12.515 -6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.510 13.688 -5.710 1.00 0.00 H new ATOM 1230 N GLU A 79 -5.237 7.892 -6.198 1.00 0.00 N ATOM 1231 CA GLU A 79 -4.992 7.025 -7.344 1.00 0.00 C ATOM 1232 C GLU A 79 -4.191 5.793 -6.935 1.00 0.00 C ATOM 1233 O GLU A 79 -4.341 4.721 -7.520 1.00 0.00 O ATOM 1234 CB GLU A 79 -4.248 7.792 -8.439 1.00 0.00 C ATOM 1235 CG GLU A 79 -4.719 7.453 -9.844 1.00 0.00 C ATOM 1236 CD GLU A 79 -3.574 7.343 -10.832 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -2.827 6.344 -10.767 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -3.423 8.257 -11.671 1.00 0.00 O ATOM 0 H GLU A 79 -4.718 8.770 -6.215 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.956 6.695 -7.731 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.373 8.862 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.182 7.579 -8.360 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.267 6.511 -9.822 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.416 8.219 -10.185 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.339 5.953 -5.927 1.00 0.00 N ATOM 1246 CA ALA A 80 -2.515 4.854 -5.441 1.00 0.00 C ATOM 1247 C ALA A 80 -3.135 4.204 -4.210 1.00 0.00 C ATOM 1248 O ALA A 80 -2.970 3.006 -3.978 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.110 5.347 -5.129 1.00 0.00 C ATOM 0 H ALA A 80 -3.202 6.834 -5.431 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.459 4.100 -6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.505 4.516 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.659 5.757 -6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.158 6.122 -4.364 1.00 0.00 H new ATOM 1255 N SER A 81 -3.849 5.001 -3.423 1.00 0.00 N ATOM 1256 CA SER A 81 -4.494 4.503 -2.214 1.00 0.00 C ATOM 1257 C SER A 81 -5.592 3.500 -2.553 1.00 0.00 C ATOM 1258 O SER A 81 -5.660 2.418 -1.967 1.00 0.00 O ATOM 1259 CB SER A 81 -5.081 5.666 -1.409 1.00 0.00 C ATOM 1260 OG SER A 81 -5.901 5.194 -0.354 1.00 0.00 O ATOM 0 H SER A 81 -3.996 5.995 -3.601 1.00 0.00 H new ATOM 0 HA SER A 81 -3.739 3.996 -1.613 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.274 6.274 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.665 6.310 -2.067 1.00 0.00 H new ATOM 0 HG SER A 81 -6.694 5.765 -0.275 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.450 3.865 -3.500 1.00 0.00 N ATOM 1267 CA GLN A 82 -7.545 2.997 -3.916 1.00 0.00 C ATOM 1268 C GLN A 82 -7.015 1.700 -4.520 1.00 0.00 C ATOM 1269 O GLN A 82 -7.488 0.612 -4.193 1.00 0.00 O ATOM 1270 CB GLN A 82 -8.439 3.720 -4.928 1.00 0.00 C ATOM 1271 CG GLN A 82 -9.908 3.739 -4.536 1.00 0.00 C ATOM 1272 CD GLN A 82 -10.525 2.354 -4.522 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -10.885 1.812 -5.567 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.651 1.774 -3.333 1.00 0.00 N ATOM 0 H GLN A 82 -6.408 4.756 -3.994 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.134 2.748 -3.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.089 4.746 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.337 3.238 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.011 4.189 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.458 4.371 -5.233 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.339 2.260 -2.493 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.060 0.842 -3.261 1.00 0.00 H new ATOM 1283 N THR A 83 -6.029 1.824 -5.404 1.00 0.00 N ATOM 1284 CA THR A 83 -5.435 0.662 -6.054 1.00 0.00 C ATOM 1285 C THR A 83 -4.814 -0.280 -5.029 1.00 0.00 C ATOM 1286 O THR A 83 -4.775 -1.494 -5.229 1.00 0.00 O ATOM 1287 CB THR A 83 -4.374 1.104 -7.064 1.00 0.00 C ATOM 1288 OG1 THR A 83 -4.791 2.273 -7.748 1.00 0.00 O ATOM 1289 CG2 THR A 83 -4.061 0.051 -8.104 1.00 0.00 C ATOM 0 H THR A 83 -5.625 2.717 -5.686 1.00 0.00 H new ATOM 0 HA THR A 83 -6.227 0.127 -6.578 1.00 0.00 H new ATOM 0 HB THR A 83 -3.475 1.288 -6.476 1.00 0.00 H new ATOM 0 HG1 THR A 83 -4.282 3.043 -7.419 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.301 0.430 -8.788 1.00 0.00 H new ATOM 0 HG22 THR A 83 -3.690 -0.848 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.966 -0.189 -8.663 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.329 0.287 -3.930 1.00 0.00 N ATOM 1298 CA LEU A 84 -3.709 -0.502 -2.872 1.00 0.00 C ATOM 1299 C LEU A 84 -4.761 -1.254 -2.064 1.00 0.00 C ATOM 1300 O LEU A 84 -4.504 -2.344 -1.553 1.00 0.00 O ATOM 1301 CB LEU A 84 -2.888 0.400 -1.948 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.237 -0.308 -0.759 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -0.963 -1.017 -1.193 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -1.943 0.685 0.355 1.00 0.00 C ATOM 0 H LEU A 84 -4.353 1.290 -3.748 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.047 -1.231 -3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.107 0.881 -2.536 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.535 1.191 -1.570 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.933 -1.056 -0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.513 -1.515 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.201 -1.756 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.261 -0.288 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.480 0.165 1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.265 1.455 -0.013 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.873 1.148 0.684 1.00 0.00 H new ATOM 1316 N LEU A 85 -5.946 -0.663 -1.951 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.038 -1.276 -1.203 1.00 0.00 C ATOM 1318 C LEU A 85 -7.834 -2.234 -2.084 1.00 0.00 C ATOM 1319 O LEU A 85 -8.306 -3.271 -1.622 1.00 0.00 O ATOM 1320 CB LEU A 85 -7.963 -0.199 -0.634 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.297 0.776 0.339 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.062 2.090 0.383 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.207 0.161 1.727 1.00 0.00 C ATOM 0 H LEU A 85 -6.175 0.239 -2.368 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.605 -1.845 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.386 0.370 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.794 -0.687 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.286 0.981 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.575 2.772 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.076 2.536 -0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.085 1.905 0.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.731 0.867 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.209 -0.071 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.616 -0.754 1.682 1.00 0.00 H new ATOM 1335 N ASP A 86 -7.978 -1.877 -3.357 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.718 -2.704 -4.303 1.00 0.00 C ATOM 1337 C ASP A 86 -7.885 -3.904 -4.743 1.00 0.00 C ATOM 1338 O ASP A 86 -8.410 -4.999 -4.941 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.129 -1.877 -5.522 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.527 -2.214 -6.004 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -11.499 -1.739 -5.381 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -10.648 -2.952 -7.005 1.00 0.00 O ATOM 0 H ASP A 86 -7.592 -1.021 -3.756 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.615 -3.071 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.079 -0.817 -5.272 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.418 -2.048 -6.330 1.00 0.00 H new ATOM 1347 N SER A 87 -6.582 -3.689 -4.896 1.00 0.00 N ATOM 1348 CA SER A 87 -5.675 -4.751 -5.314 1.00 0.00 C ATOM 1349 C SER A 87 -5.697 -5.910 -4.321 1.00 0.00 C ATOM 1350 O SER A 87 -5.500 -7.066 -4.696 1.00 0.00 O ATOM 1351 CB SER A 87 -4.251 -4.210 -5.451 1.00 0.00 C ATOM 1352 OG SER A 87 -3.339 -5.247 -5.767 1.00 0.00 O ATOM 0 H SER A 87 -6.131 -2.788 -4.737 1.00 0.00 H new ATOM 0 HA SER A 87 -6.012 -5.120 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.222 -3.447 -6.229 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.951 -3.729 -4.520 1.00 0.00 H new ATOM 0 HG SER A 87 -2.436 -4.875 -5.850 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.937 -5.593 -3.054 1.00 0.00 N ATOM 1359 CA VAL A 88 -5.984 -6.607 -2.008 1.00 0.00 C ATOM 1360 C VAL A 88 -7.202 -7.510 -2.172 1.00 0.00 C ATOM 1361 O VAL A 88 -7.108 -8.729 -2.023 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.018 -5.969 -0.606 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -5.910 -7.037 0.473 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -4.906 -4.940 -0.459 1.00 0.00 C ATOM 0 H VAL A 88 -6.102 -4.641 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.076 -7.203 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 88 -6.974 -5.459 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.936 -6.566 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.745 -7.732 0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.972 -7.579 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.946 -4.500 0.538 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.940 -5.425 -0.603 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.034 -4.157 -1.206 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.344 -6.906 -2.481 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.581 -7.657 -2.665 1.00 0.00 C ATOM 1376 C TYR A 89 -9.665 -8.228 -4.078 1.00 0.00 C ATOM 1377 O TYR A 89 -10.248 -9.290 -4.295 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.792 -6.764 -2.391 1.00 0.00 C ATOM 1379 CG TYR A 89 -10.750 -6.085 -1.041 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -10.906 -6.815 0.131 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -10.555 -4.713 -0.938 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -10.869 -6.197 1.367 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -10.517 -4.088 0.294 1.00 0.00 C ATOM 1384 CZ TYR A 89 -10.674 -4.834 1.443 1.00 0.00 C ATOM 1385 OH TYR A 89 -10.636 -4.215 2.672 1.00 0.00 O ATOM 0 H TYR A 89 -8.439 -5.899 -2.609 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.582 -8.485 -1.956 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.856 -6.003 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.699 -7.365 -2.458 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.059 -7.883 0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.431 -4.125 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -10.992 -6.779 2.269 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.365 -3.021 0.357 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.490 -3.254 2.550 1.00 0.00 H new ATOM 1395 N SER A 90 -9.080 -7.515 -5.034 1.00 0.00 N ATOM 1396 CA SER A 90 -9.090 -7.950 -6.426 1.00 0.00 C ATOM 1397 C SER A 90 -8.293 -9.239 -6.601 1.00 0.00 C ATOM 1398 O SER A 90 -8.602 -10.060 -7.464 1.00 0.00 O ATOM 1399 CB SER A 90 -8.516 -6.856 -7.328 1.00 0.00 C ATOM 1400 OG SER A 90 -8.982 -6.994 -8.659 1.00 0.00 O ATOM 0 H SER A 90 -8.593 -6.634 -4.871 1.00 0.00 H new ATOM 0 HA SER A 90 -10.124 -8.143 -6.712 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.797 -5.877 -6.941 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.427 -6.903 -7.314 1.00 0.00 H new ATOM 0 HG SER A 90 -8.602 -6.282 -9.214 1.00 0.00 H new ATOM 1406 N HIS A 91 -7.265 -9.410 -5.776 1.00 0.00 N ATOM 1407 CA HIS A 91 -6.423 -10.599 -5.840 1.00 0.00 C ATOM 1408 C HIS A 91 -6.908 -11.663 -4.860 1.00 0.00 C ATOM 1409 O HIS A 91 -6.922 -12.852 -5.177 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.969 -10.236 -5.539 1.00 0.00 C ATOM 1411 CG HIS A 91 -4.353 -9.330 -6.559 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -4.578 -9.434 -7.914 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.506 -8.282 -6.399 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -3.875 -8.469 -8.522 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -3.208 -7.742 -7.647 1.00 0.00 N ATOM 0 H HIS A 91 -6.995 -8.740 -5.055 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.487 -11.005 -6.849 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.918 -9.756 -4.562 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.381 -11.151 -5.476 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.124 -7.924 -5.454 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.857 -8.308 -9.590 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.599 -6.948 -7.844 1.00 0.00 H new ATOM 1423 N LEU A 92 -7.303 -11.227 -3.668 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.788 -12.142 -2.642 1.00 0.00 C ATOM 1425 C LEU A 92 -9.302 -12.025 -2.477 1.00 0.00 C ATOM 1426 O LEU A 92 -9.788 -11.179 -1.727 1.00 0.00 O ATOM 1427 CB LEU A 92 -7.096 -11.857 -1.307 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.653 -12.352 -1.206 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -4.898 -11.580 -0.135 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -5.621 -13.844 -0.914 1.00 0.00 C ATOM 0 H LEU A 92 -7.297 -10.246 -3.389 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.552 -13.158 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.108 -10.781 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.678 -12.317 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.161 -12.179 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.873 -11.946 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.891 -10.520 -0.387 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.388 -11.720 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.586 -14.179 -0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -6.130 -14.041 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.124 -14.383 -1.717 1.00 0.00 H new ATOM 1442 N PRO A 93 -10.072 -12.878 -3.177 1.00 0.00 N ATOM 1443 CA PRO A 93 -11.536 -12.862 -3.100 1.00 0.00 C ATOM 1444 C PRO A 93 -12.050 -13.320 -1.739 1.00 0.00 C ATOM 1445 O PRO A 93 -13.144 -12.946 -1.319 1.00 0.00 O ATOM 1446 CB PRO A 93 -11.964 -13.846 -4.192 1.00 0.00 C ATOM 1447 CG PRO A 93 -10.799 -14.758 -4.358 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.578 -13.921 -4.096 1.00 0.00 C ATOM 0 HA PRO A 93 -11.938 -11.858 -3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.859 -14.396 -3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.197 -13.328 -5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.856 -15.594 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.774 -15.181 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.777 -14.508 -3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.180 -13.491 -5.015 1.00 0.00 H new ATOM 1456 N ASP A 94 -11.251 -14.133 -1.052 1.00 0.00 N ATOM 1457 CA ASP A 94 -11.625 -14.641 0.263 1.00 0.00 C ATOM 1458 C ASP A 94 -11.879 -13.497 1.238 1.00 0.00 C ATOM 1459 O ASP A 94 -12.709 -13.610 2.141 1.00 0.00 O ATOM 1460 CB ASP A 94 -10.528 -15.557 0.809 1.00 0.00 C ATOM 1461 CG ASP A 94 -10.343 -16.804 -0.034 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -10.146 -16.668 -1.259 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -10.395 -17.916 0.533 1.00 0.00 O ATOM 0 H ASP A 94 -10.342 -14.453 -1.385 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.547 -15.212 0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.588 -15.008 0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.775 -15.846 1.831 1.00 0.00 H new ATOM 1468 N LEU A 95 -11.161 -12.394 1.050 1.00 0.00 N ATOM 1469 CA LEU A 95 -11.309 -11.229 1.914 1.00 0.00 C ATOM 1470 C LEU A 95 -12.704 -10.628 1.782 1.00 0.00 C ATOM 1471 O LEU A 95 -13.249 -10.080 2.740 1.00 0.00 O ATOM 1472 CB LEU A 95 -10.253 -10.177 1.571 1.00 0.00 C ATOM 1473 CG LEU A 95 -8.807 -10.673 1.613 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -7.864 -9.615 1.061 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -8.415 -11.051 3.033 1.00 0.00 C ATOM 0 H LEU A 95 -10.471 -12.283 0.307 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.169 -11.552 2.946 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.459 -9.789 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.355 -9.342 2.265 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.729 -11.562 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.840 -9.985 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.132 -9.392 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.944 -8.708 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.383 -11.402 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.509 -10.179 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.071 -11.843 3.393 1.00 0.00 H new