USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 820 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 52 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0) USER MOD Set 1.2: A 81 CYS SG : rot 101:sc= 0.152 USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= -0.996 (180deg=-1.42) USER MOD Single : A 18 GLN : amide:sc= -1.04 K(o=-1,f=-1.9) USER MOD Single : A 25 ASN :FLIP amide:sc= -0.0397 F(o=-0.59,f=-0.04) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 43 GLN : amide:sc= -0.0847 K(o=-0.085,f=-1.7!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.294 USER MOD Single : A 50 TYR OH : rot 60:sc= -0.514 USER MOD Single : A 55 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.481 X(o=-0.48,f=-0.43) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -2.78 K(o=-2.8,f=-13!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -117:sc= 1.1 (180deg=-1.13) USER MOD Single : A 80 ASN : amide:sc= -0.011 K(o=-0.011,f=-1.6) USER MOD Single : A 85 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : A 86 CYS SG : rot 180:sc= 0.0609 USER MOD Single : A 91 HIS : no HE2:sc= -4.87! C(o=-4.9!,f=-6.4!) USER MOD Single : A 92 THR OG1 : rot 87:sc= 1.24 USER MOD Single : A 93 TYR OH : rot 75:sc= 0.839 USER MOD Single : A 101 ASN : amide:sc= -0.678 K(o=-0.68,f=-9.1!) USER MOD Single : A 104 CYS SG : rot 47:sc= 0.0181 USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.195 X(o=-0.2,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 8.660 1.179 4.909 1.00 0.00 N ATOM 144 CA LEU A 13 8.012 2.353 4.333 1.00 0.00 C ATOM 145 C LEU A 13 9.010 3.191 3.541 1.00 0.00 C ATOM 146 O LEU A 13 10.197 3.237 3.867 1.00 0.00 O ATOM 147 CB LEU A 13 7.377 3.201 5.436 1.00 0.00 C ATOM 148 CG LEU A 13 8.274 4.270 6.062 1.00 0.00 C ATOM 149 CD1 LEU A 13 8.472 5.431 5.100 1.00 0.00 C ATOM 150 CD2 LEU A 13 7.684 4.758 7.377 1.00 0.00 C ATOM 0 HA LEU A 13 7.232 2.011 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.493 3.691 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.034 2.534 6.227 1.00 0.00 H new ATOM 0 HG LEU A 13 9.248 3.826 6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.113 6.182 5.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.940 5.069 4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.506 5.876 4.862 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.335 5.518 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.698 5.185 7.197 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.596 3.921 8.069 1.00 0.00 H new ATOM 162 N LYS A 14 8.521 3.857 2.500 1.00 0.00 N ATOM 163 CA LYS A 14 9.368 4.698 1.663 1.00 0.00 C ATOM 164 C LYS A 14 8.524 5.636 0.805 1.00 0.00 C ATOM 165 O LYS A 14 7.613 5.214 0.093 1.00 0.00 O ATOM 166 CB LYS A 14 10.256 3.831 0.767 1.00 0.00 C ATOM 167 CG LYS A 14 11.449 4.575 0.192 1.00 0.00 C ATOM 168 CD LYS A 14 12.688 4.391 1.053 1.00 0.00 C ATOM 169 CE LYS A 14 12.847 5.527 2.051 1.00 0.00 C ATOM 170 NZ LYS A 14 13.213 6.806 1.383 1.00 0.00 N ATOM 0 H LYS A 14 7.542 3.830 2.216 1.00 0.00 H new ATOM 0 HA LYS A 14 9.999 5.300 2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.614 2.976 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.656 3.436 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.650 4.217 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.214 5.636 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.624 3.443 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.571 4.339 0.416 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.916 5.659 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.614 5.265 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.737 7.597 1.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.243 6.941 1.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.915 6.775 0.387 1.00 0.00 H new ATOM 184 N PRO A 15 8.834 6.939 0.872 1.00 0.00 N ATOM 185 CA PRO A 15 8.117 7.963 0.106 1.00 0.00 C ATOM 186 C PRO A 15 8.400 7.873 -1.389 1.00 0.00 C ATOM 187 O PRO A 15 9.473 7.447 -1.818 1.00 0.00 O ATOM 188 CB PRO A 15 8.662 9.277 0.674 1.00 0.00 C ATOM 189 CG PRO A 15 10.010 8.930 1.205 1.00 0.00 C ATOM 190 CD PRO A 15 9.908 7.513 1.700 1.00 0.00 C ATOM 0 HA PRO A 15 7.036 7.858 0.198 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.726 10.045 -0.097 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.015 9.667 1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.770 9.018 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.298 9.605 2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.846 6.974 1.571 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.661 7.475 2.761 1.00 0.00 H new ATOM 198 N PRO A 16 7.416 8.281 -2.204 1.00 0.00 N ATOM 199 CA PRO A 16 7.536 8.256 -3.665 1.00 0.00 C ATOM 200 C PRO A 16 8.528 9.292 -4.183 1.00 0.00 C ATOM 201 O PRO A 16 8.776 10.306 -3.532 1.00 0.00 O ATOM 202 CB PRO A 16 6.120 8.587 -4.143 1.00 0.00 C ATOM 203 CG PRO A 16 5.512 9.359 -3.023 1.00 0.00 C ATOM 204 CD PRO A 16 6.110 8.800 -1.762 1.00 0.00 C ATOM 0 HA PRO A 16 7.910 7.298 -4.027 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.139 9.172 -5.062 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.552 7.681 -4.354 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.729 10.423 -3.119 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.427 9.254 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.221 9.567 -0.996 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.488 8.012 -1.337 1.00 0.00 H new ATOM 212 N GLU A 17 9.091 9.030 -5.358 1.00 0.00 N ATOM 213 CA GLU A 17 10.057 9.940 -5.962 1.00 0.00 C ATOM 214 C GLU A 17 9.397 10.797 -7.038 1.00 0.00 C ATOM 215 O GLU A 17 9.813 11.928 -7.287 1.00 0.00 O ATOM 216 CB GLU A 17 11.224 9.155 -6.564 1.00 0.00 C ATOM 217 CG GLU A 17 12.146 8.542 -5.524 1.00 0.00 C ATOM 218 CD GLU A 17 13.150 9.538 -4.974 1.00 0.00 C ATOM 219 OE1 GLU A 17 14.073 9.924 -5.721 1.00 0.00 O ATOM 220 OE2 GLU A 17 13.011 9.930 -3.797 1.00 0.00 O ATOM 0 H GLU A 17 8.895 8.195 -5.911 1.00 0.00 H new ATOM 0 HA GLU A 17 10.437 10.598 -5.180 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.828 8.362 -7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 17 11.804 9.818 -7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.549 8.144 -4.704 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.680 7.701 -5.967 1.00 0.00 H new ATOM 227 N GLN A 18 8.366 10.249 -7.674 1.00 0.00 N ATOM 228 CA GLN A 18 7.649 10.962 -8.724 1.00 0.00 C ATOM 229 C GLN A 18 6.287 10.328 -8.981 1.00 0.00 C ATOM 230 O GLN A 18 6.137 9.108 -8.911 1.00 0.00 O ATOM 231 CB GLN A 18 8.471 10.973 -10.014 1.00 0.00 C ATOM 232 CG GLN A 18 8.685 9.592 -10.611 1.00 0.00 C ATOM 233 CD GLN A 18 9.681 8.764 -9.823 1.00 0.00 C ATOM 234 OE1 GLN A 18 10.818 9.183 -9.602 1.00 0.00 O ATOM 235 NE2 GLN A 18 9.259 7.580 -9.395 1.00 0.00 N ATOM 0 H GLN A 18 8.009 9.313 -7.480 1.00 0.00 H new ATOM 0 HA GLN A 18 7.494 11.988 -8.391 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.970 11.604 -10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.441 11.427 -9.813 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.731 9.066 -10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.035 9.695 -11.638 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.309 7.272 -9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.885 6.978 -8.860 1.00 0.00 H new ATOM 244 N GLU A 19 5.296 11.163 -9.277 1.00 0.00 N ATOM 245 CA GLU A 19 3.946 10.683 -9.543 1.00 0.00 C ATOM 246 C GLU A 19 3.956 9.597 -10.615 1.00 0.00 C ATOM 247 O GLU A 19 4.472 9.801 -11.714 1.00 0.00 O ATOM 248 CB GLU A 19 3.046 11.840 -9.981 1.00 0.00 C ATOM 249 CG GLU A 19 1.675 11.396 -10.464 1.00 0.00 C ATOM 250 CD GLU A 19 0.889 12.523 -11.105 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.266 13.309 -10.360 1.00 0.00 O ATOM 252 OE2 GLU A 19 0.896 12.620 -12.350 1.00 0.00 O ATOM 0 H GLU A 19 5.403 12.175 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 19 3.552 10.255 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.922 12.529 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.542 12.393 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.792 10.585 -11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.109 10.996 -9.622 1.00 0.00 H new ATOM 259 N ILE A 20 3.382 8.444 -10.287 1.00 0.00 N ATOM 260 CA ILE A 20 3.324 7.327 -11.222 1.00 0.00 C ATOM 261 C ILE A 20 1.976 7.274 -11.932 1.00 0.00 C ATOM 262 O ILE A 20 1.111 8.119 -11.706 1.00 0.00 O ATOM 263 CB ILE A 20 3.571 5.984 -10.509 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.417 5.669 -9.555 1.00 0.00 C ATOM 265 CG2 ILE A 20 4.893 6.018 -9.757 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.171 4.187 -9.374 1.00 0.00 C ATOM 0 H ILE A 20 2.951 8.259 -9.381 1.00 0.00 H new ATOM 0 HA ILE A 20 4.112 7.489 -11.957 1.00 0.00 H new ATOM 0 HB ILE A 20 3.623 5.195 -11.260 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.627 6.116 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.507 6.137 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.053 5.062 -9.259 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.706 6.202 -10.459 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.868 6.815 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.339 4.038 -8.685 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.929 3.738 -10.337 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.067 3.716 -8.969 1.00 0.00 H new ATOM 278 N GLU A 21 1.804 6.272 -12.789 1.00 0.00 N ATOM 279 CA GLU A 21 0.559 6.108 -13.531 1.00 0.00 C ATOM 280 C GLU A 21 -0.108 4.780 -13.187 1.00 0.00 C ATOM 281 O GLU A 21 0.565 3.769 -12.986 1.00 0.00 O ATOM 282 CB GLU A 21 0.824 6.184 -15.036 1.00 0.00 C ATOM 283 CG GLU A 21 -0.144 5.357 -15.867 1.00 0.00 C ATOM 284 CD GLU A 21 -0.239 5.837 -17.302 1.00 0.00 C ATOM 285 OE1 GLU A 21 -0.354 7.062 -17.512 1.00 0.00 O ATOM 286 OE2 GLU A 21 -0.197 4.986 -18.215 1.00 0.00 O ATOM 0 H GLU A 21 2.510 5.563 -12.986 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.114 6.917 -13.246 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.766 7.225 -15.355 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.841 5.846 -15.235 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.174 4.314 -15.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.133 5.394 -15.409 1.00 0.00 H new ATOM 293 N ILE A 22 -1.435 4.791 -13.120 1.00 0.00 N ATOM 294 CA ILE A 22 -2.194 3.588 -12.801 1.00 0.00 C ATOM 295 C ILE A 22 -3.374 3.414 -13.751 1.00 0.00 C ATOM 296 O ILE A 22 -4.014 4.388 -14.147 1.00 0.00 O ATOM 297 CB ILE A 22 -2.715 3.619 -11.352 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.546 3.694 -10.368 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.573 2.394 -11.072 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.717 2.429 -10.317 1.00 0.00 C ATOM 0 H ILE A 22 -2.007 5.620 -13.282 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.512 2.745 -12.915 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.332 4.508 -11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.903 4.530 -10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.933 3.905 -9.371 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.934 2.430 -10.044 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.423 2.381 -11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.978 1.492 -11.216 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.094 2.554 -9.599 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.347 1.593 -10.012 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.300 2.227 -11.304 1.00 0.00 H new ATOM 312 N ASP A 23 -3.658 2.167 -14.110 1.00 0.00 N ATOM 313 CA ASP A 23 -4.764 1.865 -15.011 1.00 0.00 C ATOM 314 C ASP A 23 -5.914 1.204 -14.257 1.00 0.00 C ATOM 315 O ASP A 23 -5.778 0.090 -13.751 1.00 0.00 O ATOM 316 CB ASP A 23 -4.292 0.954 -16.146 1.00 0.00 C ATOM 317 CG ASP A 23 -3.656 1.729 -17.283 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.346 2.581 -17.879 1.00 0.00 O ATOM 319 OD2 ASP A 23 -2.467 1.482 -17.578 1.00 0.00 O ATOM 0 H ASP A 23 -3.138 1.349 -13.791 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.122 2.804 -15.434 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.574 0.233 -15.755 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.140 0.385 -16.527 1.00 0.00 H new ATOM 324 N ARG A 24 -7.045 1.898 -14.186 1.00 0.00 N ATOM 325 CA ARG A 24 -8.217 1.380 -13.491 1.00 0.00 C ATOM 326 C ARG A 24 -8.821 0.201 -14.249 1.00 0.00 C ATOM 327 O ARG A 24 -9.800 -0.398 -13.807 1.00 0.00 O ATOM 328 CB ARG A 24 -9.265 2.482 -13.323 1.00 0.00 C ATOM 329 CG ARG A 24 -8.917 3.494 -12.244 1.00 0.00 C ATOM 330 CD ARG A 24 -8.064 4.625 -12.796 1.00 0.00 C ATOM 331 NE ARG A 24 -8.244 5.863 -12.042 1.00 0.00 N ATOM 332 CZ ARG A 24 -7.564 6.978 -12.288 1.00 0.00 C ATOM 333 NH1 ARG A 24 -6.666 7.010 -13.263 1.00 0.00 N ATOM 334 NH2 ARG A 24 -7.784 8.065 -11.559 1.00 0.00 N ATOM 0 H ARG A 24 -7.174 2.821 -14.601 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.902 1.034 -12.507 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.387 3.003 -14.272 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.225 2.025 -13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.833 3.902 -11.818 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.383 2.996 -11.435 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.014 4.334 -12.770 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.321 4.796 -13.841 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.929 5.872 -11.286 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.495 6.177 -13.827 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.146 7.867 -13.449 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.475 8.045 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.262 8.920 -11.748 1.00 0.00 H new ATOM 348 N ASN A 25 -8.229 -0.125 -15.394 1.00 0.00 N ATOM 349 CA ASN A 25 -8.709 -1.232 -16.214 1.00 0.00 C ATOM 350 C ASN A 25 -7.604 -2.258 -16.443 1.00 0.00 C ATOM 351 O ASN A 25 -7.785 -3.225 -17.184 1.00 0.00 O ATOM 352 CB ASN A 25 -9.224 -0.712 -17.558 1.00 0.00 C ATOM 353 CG ASN A 25 -10.406 0.226 -17.400 1.00 0.00 C ATOM 354 OD1 ASN A 25 -10.145 1.425 -16.893 1.00 0.00 O flip ATOM 355 ND2 ASN A 25 -11.538 -0.124 -17.731 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.417 0.361 -15.775 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.527 -1.718 -15.682 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.418 -0.193 -18.077 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.514 -1.556 -18.184 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.691 -1.056 -18.116 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.323 0.518 -17.620 1.00 0.00 H new ATOM 362 N ILE A 26 -6.460 -2.041 -15.802 1.00 0.00 N ATOM 363 CA ILE A 26 -5.327 -2.948 -15.935 1.00 0.00 C ATOM 364 C ILE A 26 -4.589 -3.103 -14.609 1.00 0.00 C ATOM 365 O ILE A 26 -4.371 -2.127 -13.891 1.00 0.00 O ATOM 366 CB ILE A 26 -4.336 -2.458 -17.007 1.00 0.00 C ATOM 367 CG1 ILE A 26 -5.040 -2.320 -18.358 1.00 0.00 C ATOM 368 CG2 ILE A 26 -3.156 -3.412 -17.113 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.697 -0.972 -18.563 1.00 0.00 C ATOM 0 H ILE A 26 -6.294 -1.245 -15.186 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.730 -3.914 -16.239 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.960 -1.478 -16.713 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.315 -2.487 -19.155 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.796 -3.101 -18.446 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.464 -3.052 -17.875 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.643 -3.464 -16.153 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.514 -4.404 -17.388 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.176 -0.946 -19.542 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.446 -0.811 -17.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.942 -0.187 -18.508 1.00 0.00 H new ATOM 381 N ILE A 27 -4.206 -4.335 -14.292 1.00 0.00 N ATOM 382 CA ILE A 27 -3.489 -4.617 -13.055 1.00 0.00 C ATOM 383 C ILE A 27 -2.053 -5.047 -13.336 1.00 0.00 C ATOM 384 O ILE A 27 -1.792 -6.212 -13.636 1.00 0.00 O ATOM 385 CB ILE A 27 -4.191 -5.716 -12.236 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.664 -5.361 -12.022 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.489 -5.912 -10.901 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.424 -6.393 -11.218 1.00 0.00 C ATOM 0 H ILE A 27 -4.380 -5.154 -14.875 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.482 -3.693 -12.477 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.139 -6.652 -12.792 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.727 -4.398 -11.515 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.145 -5.242 -12.993 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.997 -6.692 -10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.454 -6.205 -11.074 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.513 -4.979 -10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.461 -6.076 -11.106 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.392 -7.352 -11.734 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.968 -6.496 -10.234 1.00 0.00 H new ATOM 400 N GLN A 28 -1.127 -4.099 -13.236 1.00 0.00 N ATOM 401 CA GLN A 28 0.283 -4.381 -13.479 1.00 0.00 C ATOM 402 C GLN A 28 0.953 -4.930 -12.223 1.00 0.00 C ATOM 403 O GLN A 28 0.513 -4.660 -11.106 1.00 0.00 O ATOM 404 CB GLN A 28 1.005 -3.116 -13.944 1.00 0.00 C ATOM 405 CG GLN A 28 0.302 -2.401 -15.087 1.00 0.00 C ATOM 406 CD GLN A 28 0.606 -0.916 -15.121 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.740 -0.497 -14.886 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.408 -0.110 -15.416 1.00 0.00 N ATOM 0 H GLN A 28 -1.327 -3.130 -12.989 1.00 0.00 H new ATOM 0 HA GLN A 28 0.346 -5.136 -14.262 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.100 -2.431 -13.101 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.016 -3.378 -14.257 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.604 -2.852 -16.033 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.774 -2.546 -14.994 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.332 -0.500 -15.604 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.263 0.899 -15.455 1.00 0.00 H new ATOM 417 N GLU A 29 2.018 -5.701 -12.415 1.00 0.00 N ATOM 418 CA GLU A 29 2.747 -6.288 -11.297 1.00 0.00 C ATOM 419 C GLU A 29 2.973 -5.258 -10.194 1.00 0.00 C ATOM 420 O GLU A 29 2.714 -5.523 -9.021 1.00 0.00 O ATOM 421 CB GLU A 29 4.090 -6.846 -11.772 1.00 0.00 C ATOM 422 CG GLU A 29 4.969 -5.815 -12.460 1.00 0.00 C ATOM 423 CD GLU A 29 6.131 -6.442 -13.205 1.00 0.00 C ATOM 424 OE1 GLU A 29 6.560 -7.548 -12.812 1.00 0.00 O ATOM 425 OE2 GLU A 29 6.612 -5.828 -14.180 1.00 0.00 O ATOM 0 H GLU A 29 2.395 -5.934 -13.334 1.00 0.00 H new ATOM 0 HA GLU A 29 2.146 -7.102 -10.892 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.627 -7.255 -10.916 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.908 -7.672 -12.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.365 -5.236 -13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.353 -5.117 -11.716 1.00 0.00 H new ATOM 432 N GLU A 30 3.460 -4.083 -10.581 1.00 0.00 N ATOM 433 CA GLU A 30 3.722 -3.013 -9.625 1.00 0.00 C ATOM 434 C GLU A 30 2.699 -3.032 -8.493 1.00 0.00 C ATOM 435 O GLU A 30 3.051 -2.893 -7.322 1.00 0.00 O ATOM 436 CB GLU A 30 3.697 -1.654 -10.326 1.00 0.00 C ATOM 437 CG GLU A 30 4.645 -0.636 -9.715 1.00 0.00 C ATOM 438 CD GLU A 30 4.132 0.786 -9.836 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.288 1.383 -10.921 1.00 0.00 O ATOM 440 OE2 GLU A 30 3.573 1.300 -8.844 1.00 0.00 O ATOM 0 H GLU A 30 3.681 -3.848 -11.549 1.00 0.00 H new ATOM 0 HA GLU A 30 4.712 -3.176 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.953 -1.792 -11.376 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.682 -1.257 -10.295 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.799 -0.874 -8.663 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.616 -0.711 -10.204 1.00 0.00 H new ATOM 447 N GLU A 31 1.431 -3.205 -8.852 1.00 0.00 N ATOM 448 CA GLU A 31 0.356 -3.241 -7.867 1.00 0.00 C ATOM 449 C GLU A 31 0.319 -4.588 -7.151 1.00 0.00 C ATOM 450 O GLU A 31 0.255 -4.651 -5.923 1.00 0.00 O ATOM 451 CB GLU A 31 -0.991 -2.970 -8.539 1.00 0.00 C ATOM 452 CG GLU A 31 -1.123 -1.562 -9.093 1.00 0.00 C ATOM 453 CD GLU A 31 -0.485 -1.410 -10.460 1.00 0.00 C ATOM 454 OE1 GLU A 31 -0.926 -2.102 -11.401 1.00 0.00 O ATOM 455 OE2 GLU A 31 0.456 -0.599 -10.588 1.00 0.00 O ATOM 0 H GLU A 31 1.123 -3.322 -9.817 1.00 0.00 H new ATOM 0 HA GLU A 31 0.548 -2.462 -7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.133 -3.685 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.789 -3.143 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.179 -1.299 -9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.661 -0.858 -8.400 1.00 0.00 H new ATOM 462 N LYS A 32 0.358 -5.665 -7.928 1.00 0.00 N ATOM 463 CA LYS A 32 0.330 -7.013 -7.372 1.00 0.00 C ATOM 464 C LYS A 32 1.461 -7.211 -6.368 1.00 0.00 C ATOM 465 O LYS A 32 1.442 -8.153 -5.577 1.00 0.00 O ATOM 466 CB LYS A 32 0.437 -8.051 -8.490 1.00 0.00 C ATOM 467 CG LYS A 32 -0.646 -7.922 -9.547 1.00 0.00 C ATOM 468 CD LYS A 32 -0.475 -8.953 -10.650 1.00 0.00 C ATOM 469 CE LYS A 32 -1.390 -8.664 -11.830 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.805 -9.137 -13.115 1.00 0.00 N ATOM 0 H LYS A 32 0.409 -5.631 -8.946 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.619 -7.145 -6.853 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.412 -7.958 -8.968 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.390 -9.049 -8.054 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.625 -8.043 -9.083 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.619 -6.921 -9.977 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.562 -8.960 -10.986 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.689 -9.947 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.353 -9.148 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.578 -7.592 -11.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.459 -8.921 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.102 -8.656 -13.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.649 -10.164 -13.068 1.00 0.00 H new ATOM 484 N GLN A 33 2.444 -6.317 -6.407 1.00 0.00 N ATOM 485 CA GLN A 33 3.583 -6.394 -5.501 1.00 0.00 C ATOM 486 C GLN A 33 3.270 -5.711 -4.173 1.00 0.00 C ATOM 487 O GLN A 33 3.901 -5.993 -3.155 1.00 0.00 O ATOM 488 CB GLN A 33 4.816 -5.752 -6.140 1.00 0.00 C ATOM 489 CG GLN A 33 5.584 -6.691 -7.056 1.00 0.00 C ATOM 490 CD GLN A 33 7.064 -6.369 -7.112 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.734 -6.291 -6.082 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.585 -6.182 -8.319 1.00 0.00 N ATOM 0 H GLN A 33 2.474 -5.531 -7.057 1.00 0.00 H new ATOM 0 HA GLN A 33 3.790 -7.447 -5.308 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.506 -4.876 -6.709 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.482 -5.401 -5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.452 -7.717 -6.712 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.165 -6.635 -8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.994 -6.256 -9.147 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.577 -5.964 -8.418 1.00 0.00 H new ATOM 501 N ALA A 34 2.292 -4.812 -4.193 1.00 0.00 N ATOM 502 CA ALA A 34 1.894 -4.090 -2.991 1.00 0.00 C ATOM 503 C ALA A 34 0.582 -4.632 -2.433 1.00 0.00 C ATOM 504 O ALA A 34 0.305 -4.505 -1.240 1.00 0.00 O ATOM 505 CB ALA A 34 1.769 -2.602 -3.286 1.00 0.00 C ATOM 0 H ALA A 34 1.761 -4.566 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 34 2.667 -4.237 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.471 -2.075 -2.379 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.729 -2.217 -3.630 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.017 -2.446 -4.060 1.00 0.00 H new ATOM 511 N ILE A 35 -0.220 -5.236 -3.303 1.00 0.00 N ATOM 512 CA ILE A 35 -1.502 -5.798 -2.897 1.00 0.00 C ATOM 513 C ILE A 35 -1.602 -7.271 -3.275 1.00 0.00 C ATOM 514 O ILE A 35 -2.606 -7.732 -3.818 1.00 0.00 O ATOM 515 CB ILE A 35 -2.679 -5.035 -3.535 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.419 -3.528 -3.496 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.978 -5.372 -2.820 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.316 -2.968 -2.094 1.00 0.00 C ATOM 0 H ILE A 35 -0.005 -5.349 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.560 -5.699 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.770 -5.342 -4.577 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.495 -3.313 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.222 -3.015 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.800 -4.825 -3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.167 -6.443 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.899 -5.090 -1.770 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.131 -1.895 -2.143 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.248 -3.151 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.494 -3.454 -1.568 1.00 0.00 H new ATOM 530 N PRO A 36 -0.536 -8.031 -2.981 1.00 0.00 N ATOM 531 CA PRO A 36 -0.479 -9.465 -3.279 1.00 0.00 C ATOM 532 C PRO A 36 -1.424 -10.278 -2.400 1.00 0.00 C ATOM 533 O PRO A 36 -1.632 -11.468 -2.632 1.00 0.00 O ATOM 534 CB PRO A 36 0.977 -9.832 -2.981 1.00 0.00 C ATOM 535 CG PRO A 36 1.428 -8.815 -1.990 1.00 0.00 C ATOM 536 CD PRO A 36 0.696 -7.548 -2.333 1.00 0.00 C ATOM 0 HA PRO A 36 -0.786 -9.681 -4.302 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.056 -10.841 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.586 -9.802 -3.885 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.200 -9.134 -0.973 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.507 -8.669 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.477 -6.957 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.280 -6.915 -3.001 1.00 0.00 H new ATOM 544 N GLU A 37 -1.993 -9.626 -1.391 1.00 0.00 N ATOM 545 CA GLU A 37 -2.916 -10.290 -0.477 1.00 0.00 C ATOM 546 C GLU A 37 -4.267 -10.528 -1.146 1.00 0.00 C ATOM 547 O GLU A 37 -5.085 -11.307 -0.658 1.00 0.00 O ATOM 548 CB GLU A 37 -3.103 -9.455 0.791 1.00 0.00 C ATOM 549 CG GLU A 37 -3.942 -8.206 0.580 1.00 0.00 C ATOM 550 CD GLU A 37 -3.108 -7.004 0.181 1.00 0.00 C ATOM 551 OE1 GLU A 37 -1.934 -7.195 -0.198 1.00 0.00 O ATOM 552 OE2 GLU A 37 -3.631 -5.871 0.248 1.00 0.00 O ATOM 0 H GLU A 37 -1.832 -8.640 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.488 -11.255 -0.207 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.573 -10.073 1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.124 -9.165 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.687 -8.399 -0.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.485 -7.978 1.497 1.00 0.00 H new ATOM 559 N PHE A 38 -4.493 -9.850 -2.267 1.00 0.00 N ATOM 560 CA PHE A 38 -5.745 -9.986 -3.002 1.00 0.00 C ATOM 561 C PHE A 38 -5.543 -10.808 -4.272 1.00 0.00 C ATOM 562 O PHE A 38 -6.461 -10.963 -5.077 1.00 0.00 O ATOM 563 CB PHE A 38 -6.303 -8.607 -3.358 1.00 0.00 C ATOM 564 CG PHE A 38 -7.218 -8.042 -2.310 1.00 0.00 C ATOM 565 CD1 PHE A 38 -8.340 -8.744 -1.898 1.00 0.00 C ATOM 566 CD2 PHE A 38 -6.957 -6.808 -1.735 1.00 0.00 C ATOM 567 CE1 PHE A 38 -9.183 -8.227 -0.933 1.00 0.00 C ATOM 568 CE2 PHE A 38 -7.797 -6.286 -0.770 1.00 0.00 C ATOM 569 CZ PHE A 38 -8.912 -6.996 -0.369 1.00 0.00 C ATOM 0 H PHE A 38 -3.826 -9.202 -2.686 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.459 -10.506 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.473 -7.918 -3.515 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -6.843 -8.675 -4.302 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -8.558 -9.707 -2.337 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -6.087 -6.248 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.053 -8.785 -0.620 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -7.582 -5.324 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.571 -6.589 0.384 1.00 0.00 H new ATOM 579 N PHE A 39 -4.334 -11.334 -4.443 1.00 0.00 N ATOM 580 CA PHE A 39 -4.010 -12.139 -5.615 1.00 0.00 C ATOM 581 C PHE A 39 -3.513 -13.522 -5.204 1.00 0.00 C ATOM 582 O PHE A 39 -3.024 -14.288 -6.033 1.00 0.00 O ATOM 583 CB PHE A 39 -2.951 -11.436 -6.466 1.00 0.00 C ATOM 584 CG PHE A 39 -3.376 -10.080 -6.953 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.366 -9.953 -7.914 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.786 -8.932 -6.449 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.760 -8.707 -8.364 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.176 -7.684 -6.895 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.163 -7.571 -7.854 1.00 0.00 C ATOM 0 H PHE A 39 -3.563 -11.217 -3.785 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.919 -12.259 -6.205 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.037 -11.333 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.712 -12.063 -7.325 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.836 -10.838 -8.316 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.013 -9.014 -5.699 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.533 -8.622 -9.113 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.709 -6.797 -6.494 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.468 -6.596 -8.205 1.00 0.00 H new ATOM 599 N GLU A 40 -3.641 -13.832 -3.917 1.00 0.00 N ATOM 600 CA GLU A 40 -3.203 -15.121 -3.396 1.00 0.00 C ATOM 601 C GLU A 40 -4.141 -16.238 -3.847 1.00 0.00 C ATOM 602 O GLU A 40 -3.758 -17.105 -4.632 1.00 0.00 O ATOM 603 CB GLU A 40 -3.137 -15.082 -1.868 1.00 0.00 C ATOM 604 CG GLU A 40 -1.817 -14.558 -1.328 1.00 0.00 C ATOM 605 CD GLU A 40 -1.625 -14.864 0.144 1.00 0.00 C ATOM 606 OE1 GLU A 40 -1.454 -16.054 0.484 1.00 0.00 O ATOM 607 OE2 GLU A 40 -1.646 -13.916 0.956 1.00 0.00 O ATOM 0 H GLU A 40 -4.044 -13.209 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.208 -15.324 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.947 -14.456 -1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.305 -16.087 -1.480 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.997 -14.997 -1.896 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.769 -13.480 -1.480 1.00 0.00 H new ATOM 614 N GLY A 41 -5.371 -16.208 -3.344 1.00 0.00 N ATOM 615 CA GLY A 41 -6.344 -17.223 -3.706 1.00 0.00 C ATOM 616 C GLY A 41 -7.474 -17.326 -2.701 1.00 0.00 C ATOM 617 O GLY A 41 -8.560 -17.807 -3.025 1.00 0.00 O ATOM 0 H GLY A 41 -5.711 -15.500 -2.693 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.756 -16.993 -4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.845 -18.188 -3.787 1.00 0.00 H new ATOM 621 N ARG A 42 -7.219 -16.876 -1.477 1.00 0.00 N ATOM 622 CA ARG A 42 -8.222 -16.923 -0.421 1.00 0.00 C ATOM 623 C ARG A 42 -9.597 -16.535 -0.958 1.00 0.00 C ATOM 624 O ARG A 42 -9.793 -15.418 -1.435 1.00 0.00 O ATOM 625 CB ARG A 42 -7.830 -15.991 0.727 1.00 0.00 C ATOM 626 CG ARG A 42 -6.336 -15.965 1.007 1.00 0.00 C ATOM 627 CD ARG A 42 -6.045 -15.546 2.440 1.00 0.00 C ATOM 628 NE ARG A 42 -4.781 -16.093 2.924 1.00 0.00 N ATOM 629 CZ ARG A 42 -4.389 -16.025 4.192 1.00 0.00 C ATOM 630 NH1 ARG A 42 -5.158 -15.437 5.097 1.00 0.00 N ATOM 631 NH2 ARG A 42 -3.224 -16.547 4.556 1.00 0.00 N ATOM 0 H ARG A 42 -6.326 -16.475 -1.192 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.272 -17.946 -0.049 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.165 -14.980 0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.355 -16.300 1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.913 -16.952 0.822 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.848 -15.275 0.319 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.016 -14.458 2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.856 -15.880 3.087 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.165 -16.552 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -6.054 -15.035 4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.854 -15.387 6.069 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.629 -17.000 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.923 -16.495 5.529 1.00 0.00 H new ATOM 645 N GLN A 43 -10.542 -17.465 -0.878 1.00 0.00 N ATOM 646 CA GLN A 43 -11.897 -17.220 -1.358 1.00 0.00 C ATOM 647 C GLN A 43 -12.332 -15.790 -1.054 1.00 0.00 C ATOM 648 O GLN A 43 -12.738 -15.051 -1.951 1.00 0.00 O ATOM 649 CB GLN A 43 -12.874 -18.209 -0.719 1.00 0.00 C ATOM 650 CG GLN A 43 -14.220 -18.276 -1.423 1.00 0.00 C ATOM 651 CD GLN A 43 -14.214 -19.226 -2.604 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.389 -20.137 -2.679 1.00 0.00 O ATOM 653 NE2 GLN A 43 -15.138 -19.019 -3.536 1.00 0.00 N ATOM 0 H GLN A 43 -10.395 -18.395 -0.486 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.903 -17.361 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.424 -19.202 -0.718 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.032 -17.929 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.983 -18.592 -0.711 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.497 -17.279 -1.765 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.802 -18.252 -3.434 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -15.183 -19.627 -4.354 1.00 0.00 H new ATOM 662 N ALA A 44 -12.244 -15.407 0.215 1.00 0.00 N ATOM 663 CA ALA A 44 -12.626 -14.065 0.637 1.00 0.00 C ATOM 664 C ALA A 44 -11.865 -13.004 -0.151 1.00 0.00 C ATOM 665 O ALA A 44 -12.425 -11.976 -0.530 1.00 0.00 O ATOM 666 CB ALA A 44 -12.385 -13.892 2.129 1.00 0.00 C ATOM 0 H ALA A 44 -11.911 -16.007 0.969 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.689 -13.936 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -12.675 -12.885 2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.979 -14.621 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.328 -14.046 2.347 1.00 0.00 H new ATOM 672 N LYS A 45 -10.584 -13.261 -0.394 1.00 0.00 N ATOM 673 CA LYS A 45 -9.744 -12.329 -1.138 1.00 0.00 C ATOM 674 C LYS A 45 -9.859 -12.572 -2.639 1.00 0.00 C ATOM 675 O LYS A 45 -9.696 -13.697 -3.111 1.00 0.00 O ATOM 676 CB LYS A 45 -8.284 -12.464 -0.699 1.00 0.00 C ATOM 677 CG LYS A 45 -8.084 -12.316 0.800 1.00 0.00 C ATOM 678 CD LYS A 45 -8.101 -10.857 1.224 1.00 0.00 C ATOM 679 CE LYS A 45 -8.042 -10.716 2.737 1.00 0.00 C ATOM 680 NZ LYS A 45 -8.625 -9.425 3.196 1.00 0.00 N ATOM 0 H LYS A 45 -10.105 -14.107 -0.086 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.089 -11.318 -0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.907 -13.437 -1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.687 -11.710 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.869 -12.858 1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.135 -12.768 1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.255 -10.337 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.005 -10.378 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.580 -11.543 3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.006 -10.785 3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.566 -9.367 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.096 -8.636 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -9.621 -9.370 2.902 1.00 0.00 H new ATOM 694 N THR A 46 -10.140 -11.509 -3.386 1.00 0.00 N ATOM 695 CA THR A 46 -10.276 -11.606 -4.834 1.00 0.00 C ATOM 696 C THR A 46 -9.706 -10.372 -5.525 1.00 0.00 C ATOM 697 O THR A 46 -9.711 -9.268 -4.979 1.00 0.00 O ATOM 698 CB THR A 46 -11.749 -11.779 -5.250 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.503 -10.622 -4.873 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.352 -13.017 -4.602 1.00 0.00 C ATOM 0 H THR A 46 -10.278 -10.570 -3.012 1.00 0.00 H new ATOM 0 HA THR A 46 -9.712 -12.486 -5.145 1.00 0.00 H new ATOM 0 HB THR A 46 -11.787 -11.900 -6.333 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.438 -10.739 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.393 -13.119 -4.910 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.793 -13.900 -4.914 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.303 -12.921 -3.517 1.00 0.00 H new ATOM 708 N PRO A 47 -9.204 -10.560 -6.754 1.00 0.00 N ATOM 709 CA PRO A 47 -8.623 -9.472 -7.546 1.00 0.00 C ATOM 710 C PRO A 47 -9.674 -8.475 -8.021 1.00 0.00 C ATOM 711 O PRO A 47 -9.392 -7.286 -8.172 1.00 0.00 O ATOM 712 CB PRO A 47 -7.996 -10.197 -8.739 1.00 0.00 C ATOM 713 CG PRO A 47 -8.775 -11.461 -8.865 1.00 0.00 C ATOM 714 CD PRO A 47 -9.166 -11.848 -7.466 1.00 0.00 C ATOM 0 HA PRO A 47 -7.913 -8.881 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.064 -9.598 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.938 -10.399 -8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.656 -11.316 -9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.177 -12.243 -9.333 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -10.134 -12.348 -7.443 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.443 -12.532 -7.021 1.00 0.00 H new ATOM 722 N GLU A 48 -10.887 -8.966 -8.254 1.00 0.00 N ATOM 723 CA GLU A 48 -11.980 -8.117 -8.713 1.00 0.00 C ATOM 724 C GLU A 48 -12.392 -7.127 -7.627 1.00 0.00 C ATOM 725 O GLU A 48 -12.698 -5.969 -7.911 1.00 0.00 O ATOM 726 CB GLU A 48 -13.182 -8.971 -9.123 1.00 0.00 C ATOM 727 CG GLU A 48 -13.061 -9.560 -10.518 1.00 0.00 C ATOM 728 CD GLU A 48 -13.954 -10.769 -10.720 1.00 0.00 C ATOM 729 OE1 GLU A 48 -13.587 -11.864 -10.243 1.00 0.00 O ATOM 730 OE2 GLU A 48 -15.020 -10.621 -11.354 1.00 0.00 O ATOM 0 H GLU A 48 -11.138 -9.947 -8.132 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.631 -7.555 -9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.303 -9.782 -8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -14.084 -8.362 -9.072 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.316 -8.797 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.024 -9.844 -10.700 1.00 0.00 H new ATOM 737 N ARG A 49 -12.399 -7.593 -6.382 1.00 0.00 N ATOM 738 CA ARG A 49 -12.775 -6.751 -5.253 1.00 0.00 C ATOM 739 C ARG A 49 -11.740 -5.653 -5.025 1.00 0.00 C ATOM 740 O ARG A 49 -12.088 -4.507 -4.739 1.00 0.00 O ATOM 741 CB ARG A 49 -12.925 -7.596 -3.987 1.00 0.00 C ATOM 742 CG ARG A 49 -13.676 -6.890 -2.869 1.00 0.00 C ATOM 743 CD ARG A 49 -13.932 -7.822 -1.695 1.00 0.00 C ATOM 744 NE ARG A 49 -14.722 -8.987 -2.084 1.00 0.00 N ATOM 745 CZ ARG A 49 -14.893 -10.051 -1.307 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.333 -10.096 -0.106 1.00 0.00 N ATOM 747 NH2 ARG A 49 -15.626 -11.072 -1.731 1.00 0.00 N ATOM 0 H ARG A 49 -12.148 -8.549 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.732 -6.282 -5.484 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.447 -8.520 -4.237 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.935 -7.876 -3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.102 -6.027 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.625 -6.512 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.980 -8.152 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.452 -7.278 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.167 -8.984 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -13.769 -9.312 0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -14.466 -10.914 0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.059 -11.041 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.757 -11.889 -1.134 1.00 0.00 H new ATOM 761 N TYR A 50 -10.467 -6.011 -5.153 1.00 0.00 N ATOM 762 CA TYR A 50 -9.381 -5.058 -4.958 1.00 0.00 C ATOM 763 C TYR A 50 -9.502 -3.888 -5.930 1.00 0.00 C ATOM 764 O TYR A 50 -9.182 -2.748 -5.591 1.00 0.00 O ATOM 765 CB TYR A 50 -8.029 -5.749 -5.140 1.00 0.00 C ATOM 766 CG TYR A 50 -6.925 -4.814 -5.579 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.420 -3.850 -4.715 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.386 -4.895 -6.857 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.412 -2.992 -5.112 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.377 -4.043 -7.262 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.894 -3.093 -6.386 1.00 0.00 C ATOM 772 OH TYR A 50 -3.889 -2.242 -6.785 1.00 0.00 O ATOM 0 H TYR A 50 -10.162 -6.955 -5.391 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.449 -4.671 -3.941 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.742 -6.220 -4.200 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -8.134 -6.545 -5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -6.822 -3.770 -3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.762 -5.637 -7.546 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.032 -2.247 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.969 -4.120 -8.259 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.111 -2.358 -6.201 1.00 0.00 H new ATOM 782 N LEU A 51 -9.968 -4.179 -7.140 1.00 0.00 N ATOM 783 CA LEU A 51 -10.133 -3.152 -8.163 1.00 0.00 C ATOM 784 C LEU A 51 -11.285 -2.216 -7.813 1.00 0.00 C ATOM 785 O LEU A 51 -11.184 -1.000 -7.979 1.00 0.00 O ATOM 786 CB LEU A 51 -10.382 -3.799 -9.527 1.00 0.00 C ATOM 787 CG LEU A 51 -9.138 -4.101 -10.363 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.504 -4.932 -11.583 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.449 -2.811 -10.781 1.00 0.00 C ATOM 0 H LEU A 51 -10.238 -5.117 -7.436 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.215 -2.567 -8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.926 -4.731 -9.371 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.033 -3.143 -10.105 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.444 -4.677 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.606 -5.137 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.951 -5.873 -11.262 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.218 -4.382 -12.197 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.566 -3.046 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.136 -2.208 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.151 -2.253 -9.893 1.00 0.00 H new ATOM 801 N LYS A 52 -12.381 -2.790 -7.328 1.00 0.00 N ATOM 802 CA LYS A 52 -13.552 -2.007 -6.951 1.00 0.00 C ATOM 803 C LYS A 52 -13.169 -0.877 -6.001 1.00 0.00 C ATOM 804 O LYS A 52 -13.424 0.295 -6.281 1.00 0.00 O ATOM 805 CB LYS A 52 -14.602 -2.907 -6.294 1.00 0.00 C ATOM 806 CG LYS A 52 -15.963 -2.248 -6.150 1.00 0.00 C ATOM 807 CD LYS A 52 -17.086 -3.271 -6.210 1.00 0.00 C ATOM 808 CE LYS A 52 -17.331 -3.908 -4.851 1.00 0.00 C ATOM 809 NZ LYS A 52 -18.693 -4.503 -4.756 1.00 0.00 N ATOM 0 H LYS A 52 -12.483 -3.795 -7.187 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.972 -1.569 -7.856 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.709 -3.817 -6.884 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.246 -3.206 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -16.010 -1.710 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.098 -1.511 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -18.000 -2.790 -6.558 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -16.837 -4.045 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -16.584 -4.681 -4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -17.207 -3.158 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.853 -4.852 -3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.404 -3.780 -4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.774 -5.293 -5.427 1.00 0.00 H new ATOM 823 N ILE A 53 -12.555 -1.236 -4.879 1.00 0.00 N ATOM 824 CA ILE A 53 -12.135 -0.251 -3.890 1.00 0.00 C ATOM 825 C ILE A 53 -11.137 0.736 -4.486 1.00 0.00 C ATOM 826 O ILE A 53 -11.335 1.949 -4.424 1.00 0.00 O ATOM 827 CB ILE A 53 -11.501 -0.925 -2.659 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.469 -1.942 -2.051 1.00 0.00 C ATOM 829 CG2 ILE A 53 -11.106 0.121 -1.627 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.779 -3.059 -1.300 1.00 0.00 C ATOM 0 H ILE A 53 -12.337 -2.201 -4.632 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.031 0.286 -3.579 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.601 -1.453 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.148 -1.425 -1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.078 -2.372 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.659 -0.371 -0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.384 0.810 -2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.991 0.674 -1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.526 -3.742 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.121 -3.601 -1.979 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.192 -2.640 -0.483 1.00 0.00 H new ATOM 842 N ARG A 54 -10.065 0.206 -5.066 1.00 0.00 N ATOM 843 CA ARG A 54 -9.035 1.040 -5.674 1.00 0.00 C ATOM 844 C ARG A 54 -9.655 2.064 -6.621 1.00 0.00 C ATOM 845 O ARG A 54 -9.547 3.270 -6.403 1.00 0.00 O ATOM 846 CB ARG A 54 -8.028 0.173 -6.432 1.00 0.00 C ATOM 847 CG ARG A 54 -6.734 0.895 -6.767 1.00 0.00 C ATOM 848 CD ARG A 54 -5.874 0.083 -7.723 1.00 0.00 C ATOM 849 NE ARG A 54 -6.523 -0.105 -9.018 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.928 -0.668 -10.063 1.00 0.00 C ATOM 851 NH1 ARG A 54 -4.677 -1.097 -9.967 1.00 0.00 N ATOM 852 NH2 ARG A 54 -6.584 -0.804 -11.209 1.00 0.00 N ATOM 0 H ARG A 54 -9.887 -0.796 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.517 1.573 -4.877 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.798 -0.709 -5.834 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.487 -0.179 -7.356 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -6.961 1.863 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.177 1.089 -5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -4.918 0.586 -7.866 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.659 -0.890 -7.280 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.486 0.214 -9.125 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.169 -0.995 -9.088 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.223 -1.529 -10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.547 -0.476 -11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.126 -1.237 -12.011 1.00 0.00 H new ATOM 866 N ASN A 55 -10.303 1.574 -7.673 1.00 0.00 N ATOM 867 CA ASN A 55 -10.939 2.446 -8.654 1.00 0.00 C ATOM 868 C ASN A 55 -11.619 3.628 -7.970 1.00 0.00 C ATOM 869 O ASN A 55 -11.422 4.780 -8.357 1.00 0.00 O ATOM 870 CB ASN A 55 -11.961 1.661 -9.478 1.00 0.00 C ATOM 871 CG ASN A 55 -11.348 1.033 -10.714 1.00 0.00 C ATOM 872 OD1 ASN A 55 -11.844 1.213 -11.826 1.00 0.00 O ATOM 873 ND2 ASN A 55 -10.264 0.291 -10.524 1.00 0.00 N ATOM 0 H ASN A 55 -10.401 0.578 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.165 2.830 -9.319 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.401 0.880 -8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.771 2.326 -9.776 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.807 -0.158 -11.318 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.888 0.169 -9.584 1.00 0.00 H new ATOM 880 N TYR A 56 -12.420 3.335 -6.952 1.00 0.00 N ATOM 881 CA TYR A 56 -13.131 4.373 -6.215 1.00 0.00 C ATOM 882 C TYR A 56 -12.162 5.426 -5.685 1.00 0.00 C ATOM 883 O TYR A 56 -12.315 6.618 -5.955 1.00 0.00 O ATOM 884 CB TYR A 56 -13.916 3.758 -5.056 1.00 0.00 C ATOM 885 CG TYR A 56 -14.791 4.749 -4.323 1.00 0.00 C ATOM 886 CD1 TYR A 56 -16.032 5.118 -4.829 1.00 0.00 C ATOM 887 CD2 TYR A 56 -14.378 5.317 -3.124 1.00 0.00 C ATOM 888 CE1 TYR A 56 -16.834 6.025 -4.164 1.00 0.00 C ATOM 889 CE2 TYR A 56 -15.174 6.223 -2.451 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.401 6.574 -2.975 1.00 0.00 C ATOM 891 OH TYR A 56 -17.198 7.476 -2.308 1.00 0.00 O ATOM 0 H TYR A 56 -12.593 2.387 -6.618 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.827 4.857 -6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.539 2.950 -5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.215 3.313 -4.350 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -16.375 4.688 -5.758 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.418 5.045 -2.711 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -17.794 6.303 -4.573 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -14.838 6.654 -1.520 1.00 0.00 H new ATOM 0 HH TYR A 56 -16.747 7.767 -1.488 1.00 0.00 H new ATOM 901 N ILE A 57 -11.165 4.977 -4.931 1.00 0.00 N ATOM 902 CA ILE A 57 -10.170 5.879 -4.365 1.00 0.00 C ATOM 903 C ILE A 57 -9.536 6.747 -5.446 1.00 0.00 C ATOM 904 O ILE A 57 -9.620 7.975 -5.400 1.00 0.00 O ATOM 905 CB ILE A 57 -9.060 5.103 -3.630 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.618 4.449 -2.364 1.00 0.00 C ATOM 907 CG2 ILE A 57 -7.904 6.030 -3.288 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.632 3.535 -1.672 1.00 0.00 C ATOM 0 H ILE A 57 -11.025 3.994 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.692 6.516 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.688 4.318 -4.288 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.928 5.229 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.510 3.879 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.128 5.468 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.494 6.454 -4.205 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.261 6.834 -2.645 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.095 3.107 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.340 2.734 -2.351 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.749 4.105 -1.382 1.00 0.00 H new ATOM 920 N LEU A 58 -8.904 6.102 -6.420 1.00 0.00 N ATOM 921 CA LEU A 58 -8.257 6.815 -7.516 1.00 0.00 C ATOM 922 C LEU A 58 -9.193 7.862 -8.112 1.00 0.00 C ATOM 923 O LEU A 58 -8.773 8.974 -8.433 1.00 0.00 O ATOM 924 CB LEU A 58 -7.816 5.831 -8.601 1.00 0.00 C ATOM 925 CG LEU A 58 -6.447 5.181 -8.401 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.263 4.018 -9.363 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.338 6.207 -8.584 1.00 0.00 C ATOM 0 H LEU A 58 -8.826 5.086 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.379 7.324 -7.118 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.564 5.041 -8.673 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.811 6.354 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.394 4.796 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.283 3.568 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.038 3.272 -9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.336 4.379 -10.389 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.370 5.727 -8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.389 6.622 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.459 7.008 -7.855 1.00 0.00 H new ATOM 939 N ASP A 59 -10.463 7.499 -8.255 1.00 0.00 N ATOM 940 CA ASP A 59 -11.460 8.407 -8.810 1.00 0.00 C ATOM 941 C ASP A 59 -11.655 9.619 -7.903 1.00 0.00 C ATOM 942 O ASP A 59 -11.593 10.761 -8.357 1.00 0.00 O ATOM 943 CB ASP A 59 -12.791 7.680 -9.004 1.00 0.00 C ATOM 944 CG ASP A 59 -13.634 8.299 -10.103 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.091 8.546 -11.200 1.00 0.00 O ATOM 946 OD2 ASP A 59 -14.837 8.536 -9.865 1.00 0.00 O ATOM 0 H ASP A 59 -10.826 6.582 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.101 8.754 -9.779 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.599 6.634 -9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.350 7.696 -8.068 1.00 0.00 H new ATOM 951 N GLN A 60 -11.892 9.360 -6.621 1.00 0.00 N ATOM 952 CA GLN A 60 -12.099 10.429 -5.652 1.00 0.00 C ATOM 953 C GLN A 60 -10.881 11.346 -5.585 1.00 0.00 C ATOM 954 O GLN A 60 -11.014 12.569 -5.554 1.00 0.00 O ATOM 955 CB GLN A 60 -12.387 9.844 -4.269 1.00 0.00 C ATOM 956 CG GLN A 60 -13.670 9.029 -4.208 1.00 0.00 C ATOM 957 CD GLN A 60 -14.854 9.759 -4.811 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.134 10.906 -4.461 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.556 9.098 -5.723 1.00 0.00 N ATOM 0 H GLN A 60 -11.945 8.420 -6.230 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.958 11.017 -5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.551 9.212 -3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.448 10.657 -3.545 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.523 8.086 -4.735 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.890 8.783 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.288 8.149 -5.983 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.363 9.539 -6.164 1.00 0.00 H new ATOM 968 N TRP A 61 -9.697 10.746 -5.563 1.00 0.00 N ATOM 969 CA TRP A 61 -8.455 11.509 -5.499 1.00 0.00 C ATOM 970 C TRP A 61 -8.489 12.686 -6.468 1.00 0.00 C ATOM 971 O TRP A 61 -8.223 13.824 -6.084 1.00 0.00 O ATOM 972 CB TRP A 61 -7.261 10.607 -5.815 1.00 0.00 C ATOM 973 CG TRP A 61 -6.089 11.350 -6.382 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.457 11.102 -7.567 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.408 12.459 -5.786 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.425 11.991 -7.744 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.374 12.834 -6.666 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.572 13.173 -4.596 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.510 13.891 -6.390 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.714 14.221 -4.324 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.694 14.573 -5.218 1.00 0.00 C ATOM 0 H TRP A 61 -9.570 9.734 -5.588 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.349 11.899 -4.487 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.951 10.094 -4.904 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.572 9.839 -6.523 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.729 10.322 -8.263 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.798 12.019 -8.548 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.356 12.910 -3.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -2.722 14.163 -7.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.831 14.779 -3.407 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.040 15.398 -4.977 1.00 0.00 H new ATOM 992 N GLU A 62 -8.819 12.404 -7.724 1.00 0.00 N ATOM 993 CA GLU A 62 -8.887 13.441 -8.747 1.00 0.00 C ATOM 994 C GLU A 62 -10.102 14.339 -8.531 1.00 0.00 C ATOM 995 O GLU A 62 -10.048 15.544 -8.781 1.00 0.00 O ATOM 996 CB GLU A 62 -8.946 12.811 -10.140 1.00 0.00 C ATOM 997 CG GLU A 62 -8.227 11.476 -10.236 1.00 0.00 C ATOM 998 CD GLU A 62 -7.741 11.175 -11.640 1.00 0.00 C ATOM 999 OE1 GLU A 62 -8.553 11.272 -12.583 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -6.548 10.841 -11.795 1.00 0.00 O ATOM 0 H GLU A 62 -9.043 11.467 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.987 14.051 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.990 12.673 -10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.509 13.502 -10.861 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.377 11.475 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.898 10.682 -9.910 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.195 13.745 -8.065 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.422 14.490 -7.815 1.00 0.00 C ATOM 1009 C ILE A 63 -12.184 15.622 -6.821 1.00 0.00 C ATOM 1010 O ILE A 63 -12.976 16.561 -6.733 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.537 13.575 -7.276 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.081 12.684 -8.395 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.654 14.406 -6.663 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -14.947 11.548 -7.897 1.00 0.00 C ATOM 0 H ILE A 63 -11.256 12.749 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.737 14.908 -8.771 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.118 12.935 -6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.661 13.296 -9.086 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.244 12.272 -8.959 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.435 13.745 -6.287 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.256 15.002 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.073 15.068 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.297 10.959 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.365 10.913 -7.229 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.804 11.953 -7.358 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.089 15.527 -6.076 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.746 16.544 -5.088 1.00 0.00 C ATOM 1028 C CYS A 64 -9.428 17.225 -5.444 1.00 0.00 C ATOM 1029 O CYS A 64 -9.230 18.406 -5.158 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.652 15.921 -3.695 1.00 0.00 C ATOM 1031 SG CYS A 64 -12.239 15.779 -2.841 1.00 0.00 S ATOM 0 H CYS A 64 -10.423 14.757 -6.137 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.535 17.296 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.208 14.929 -3.782 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.976 16.521 -3.085 1.00 0.00 H new ATOM 0 HG CYS A 64 -12.056 15.239 -1.673 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.529 16.472 -6.067 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.229 17.001 -6.463 1.00 0.00 C ATOM 1039 C LYS A 65 -7.363 18.414 -7.021 1.00 0.00 C ATOM 1040 O LYS A 65 -8.411 18.807 -7.536 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.579 16.088 -7.505 1.00 0.00 C ATOM 1042 CG LYS A 65 -6.911 16.469 -8.938 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.180 15.584 -9.933 1.00 0.00 C ATOM 1044 CE LYS A 65 -4.732 16.019 -10.107 1.00 0.00 C ATOM 1045 NZ LYS A 65 -4.611 17.192 -11.017 1.00 0.00 N ATOM 0 H LYS A 65 -8.677 15.492 -6.309 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.595 17.039 -5.577 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.497 16.112 -7.373 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.899 15.061 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.986 16.387 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.642 17.511 -9.110 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.212 14.549 -9.593 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.690 15.619 -10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.308 16.269 -9.134 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.149 15.189 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.610 17.458 -11.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.992 16.946 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.147 17.992 -10.625 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.279 19.196 -6.921 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.027 18.740 -6.311 1.00 0.00 C ATOM 1061 C PRO A 66 -5.152 18.552 -4.803 1.00 0.00 C ATOM 1062 O PRO A 66 -4.197 18.155 -4.135 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.044 19.869 -6.630 1.00 0.00 C ATOM 1064 CG PRO A 66 -4.899 21.077 -6.804 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.192 20.588 -7.396 1.00 0.00 C ATOM 0 HA PRO A 66 -4.718 17.767 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.324 20.007 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.474 19.654 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.070 21.574 -5.849 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -4.419 21.803 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.040 21.182 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.181 20.641 -8.485 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.335 18.841 -4.271 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.586 18.703 -2.842 1.00 0.00 C ATOM 1075 C LYS A 67 -6.265 17.289 -2.367 1.00 0.00 C ATOM 1076 O LYS A 67 -6.485 16.316 -3.089 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.045 19.040 -2.524 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.477 20.406 -3.030 1.00 0.00 C ATOM 1079 CD LYS A 67 -7.831 21.526 -2.231 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.569 22.842 -2.420 1.00 0.00 C ATOM 1081 NZ LYS A 67 -8.261 23.812 -1.333 1.00 0.00 N ATOM 0 H LYS A 67 -7.136 19.173 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.935 19.401 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.689 18.278 -2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.192 18.998 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.209 20.507 -4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.562 20.492 -2.967 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.821 21.261 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.792 21.642 -2.540 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.297 23.276 -3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.643 22.656 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.783 24.696 -1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.544 23.409 -0.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.240 24.010 -1.323 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.747 17.182 -1.149 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.395 15.887 -0.578 1.00 0.00 C ATOM 1097 C TYR A 68 -6.645 15.057 -0.301 1.00 0.00 C ATOM 1098 O TYR A 68 -7.705 15.597 0.020 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.597 16.075 0.713 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.409 14.798 1.500 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -5.474 14.210 2.172 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -3.167 14.179 1.572 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -5.307 13.044 2.893 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -2.992 13.011 2.289 1.00 0.00 C ATOM 1105 CZ TYR A 68 -4.065 12.448 2.948 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.894 11.286 3.665 1.00 0.00 O ATOM 0 H TYR A 68 -5.561 17.977 -0.537 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.780 15.354 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.619 16.489 0.468 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.105 16.807 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.449 14.673 2.130 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.324 14.618 1.059 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.145 12.601 3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.020 12.541 2.333 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.960 10.997 3.601 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.512 13.741 -0.426 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.630 12.834 -0.188 1.00 0.00 C ATOM 1118 C LEU A 69 -7.322 11.882 0.964 1.00 0.00 C ATOM 1119 O LEU A 69 -6.270 11.245 0.991 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.943 12.036 -1.454 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.842 10.813 -1.272 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.306 11.224 -1.258 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.584 9.792 -2.371 1.00 0.00 C ATOM 0 H LEU A 69 -5.642 13.278 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.501 13.432 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.415 12.705 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.002 11.708 -1.894 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.605 10.352 -0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.931 10.340 -1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.481 11.917 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.557 11.710 -2.201 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.233 8.928 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.792 10.242 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.542 9.473 -2.334 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.249 11.789 1.912 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.078 10.913 3.065 1.00 0.00 C ATOM 1137 C ASN A 70 -8.813 9.592 2.859 1.00 0.00 C ATOM 1138 O ASN A 70 -9.697 9.487 2.009 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.587 11.600 4.334 1.00 0.00 C ATOM 1140 CG ASN A 70 -10.081 11.857 4.292 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -10.874 11.056 4.788 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -10.473 12.978 3.698 1.00 0.00 N ATOM 0 H ASN A 70 -9.126 12.310 1.904 1.00 0.00 H new ATOM 0 HA ASN A 70 -7.014 10.703 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.352 10.980 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.062 12.546 4.468 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.466 13.204 3.639 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.781 13.613 3.300 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.441 8.586 3.643 1.00 0.00 N ATOM 1150 CA LYS A 71 -9.064 7.271 3.549 1.00 0.00 C ATOM 1151 C LYS A 71 -10.410 7.255 4.266 1.00 0.00 C ATOM 1152 O LYS A 71 -11.214 6.341 4.081 1.00 0.00 O ATOM 1153 CB LYS A 71 -8.144 6.204 4.145 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.805 6.439 5.606 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.652 5.561 6.060 1.00 0.00 C ATOM 1156 CE LYS A 71 -6.512 5.563 7.575 1.00 0.00 C ATOM 1157 NZ LYS A 71 -5.723 6.729 8.058 1.00 0.00 N ATOM 0 H LYS A 71 -7.710 8.656 4.351 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.231 7.050 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.620 5.229 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.220 6.169 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.546 7.487 5.756 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.682 6.236 6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.810 4.541 5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.725 5.913 5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.502 5.581 8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -6.029 4.640 7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.651 6.694 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.770 6.699 7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.197 7.610 7.774 1.00 0.00 H new ATOM 1171 N THR A 72 -10.651 8.274 5.086 1.00 0.00 N ATOM 1172 CA THR A 72 -11.900 8.377 5.831 1.00 0.00 C ATOM 1173 C THR A 72 -13.035 8.861 4.936 1.00 0.00 C ATOM 1174 O THR A 72 -14.210 8.648 5.237 1.00 0.00 O ATOM 1175 CB THR A 72 -11.762 9.334 7.029 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.485 9.157 7.653 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.867 9.092 8.046 1.00 0.00 C ATOM 0 H THR A 72 -9.997 9.040 5.251 1.00 0.00 H new ATOM 0 HA THR A 72 -12.132 7.378 6.199 1.00 0.00 H new ATOM 0 HB THR A 72 -11.847 10.356 6.660 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.404 9.770 8.413 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.748 9.780 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.837 9.257 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.809 8.066 8.409 1.00 0.00 H new ATOM 1185 N SER A 73 -12.678 9.514 3.835 1.00 0.00 N ATOM 1186 CA SER A 73 -13.668 10.031 2.898 1.00 0.00 C ATOM 1187 C SER A 73 -14.240 8.909 2.038 1.00 0.00 C ATOM 1188 O SER A 73 -15.356 9.010 1.526 1.00 0.00 O ATOM 1189 CB SER A 73 -13.043 11.105 2.005 1.00 0.00 C ATOM 1190 OG SER A 73 -13.982 11.594 1.062 1.00 0.00 O ATOM 0 H SER A 73 -11.710 9.698 3.570 1.00 0.00 H new ATOM 0 HA SER A 73 -14.481 10.474 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.679 11.928 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.180 10.691 1.483 1.00 0.00 H new ATOM 0 HG SER A 73 -13.559 12.280 0.505 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.468 7.838 1.882 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.897 6.695 1.085 1.00 0.00 C ATOM 1198 C VAL A 74 -14.349 5.543 1.976 1.00 0.00 C ATOM 1199 O VAL A 74 -14.775 4.497 1.486 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.770 6.202 0.159 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.265 7.337 -0.719 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.635 5.601 0.974 1.00 0.00 C ATOM 0 H VAL A 74 -12.542 7.738 2.297 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.736 7.031 0.476 1.00 0.00 H new ATOM 0 HB VAL A 74 -13.171 5.424 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.469 6.970 -1.367 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -13.084 7.716 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.880 8.140 -0.090 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.847 5.258 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -11.233 6.356 1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -12.010 4.758 1.554 1.00 0.00 H new ATOM 1212 N ARG A 75 -14.252 5.742 3.286 1.00 0.00 N ATOM 1213 CA ARG A 75 -14.650 4.719 4.246 1.00 0.00 C ATOM 1214 C ARG A 75 -16.154 4.467 4.180 1.00 0.00 C ATOM 1215 O ARG A 75 -16.611 3.358 3.902 1.00 0.00 O ATOM 1216 CB ARG A 75 -14.254 5.137 5.663 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.905 4.594 6.103 1.00 0.00 C ATOM 1218 CD ARG A 75 -12.828 4.453 7.616 1.00 0.00 C ATOM 1219 NE ARG A 75 -13.415 3.198 8.078 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.478 2.844 9.357 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -12.993 3.645 10.295 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -14.028 1.686 9.700 1.00 0.00 N ATOM 0 H ARG A 75 -13.901 6.602 3.707 1.00 0.00 H new ATOM 0 HA ARG A 75 -14.132 3.795 3.989 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.234 6.225 5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -15.019 4.796 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.732 3.624 5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.114 5.259 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.786 4.504 7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.345 5.290 8.085 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.797 2.559 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.570 4.536 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -13.043 3.370 11.276 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.403 1.067 8.981 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.076 1.415 10.682 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.942 5.520 4.442 1.00 0.00 N ATOM 1237 CA PRO A 76 -18.406 5.438 4.419 1.00 0.00 C ATOM 1238 C PRO A 76 -18.954 5.255 3.008 1.00 0.00 C ATOM 1239 O PRO A 76 -20.166 5.220 2.802 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.846 6.787 4.993 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.712 7.710 4.703 1.00 0.00 C ATOM 1242 CD PRO A 76 -16.466 6.872 4.781 1.00 0.00 C ATOM 0 HA PRO A 76 -18.775 4.580 4.981 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.768 7.134 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -19.037 6.718 6.064 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.818 8.161 3.716 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.679 8.526 5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.705 7.217 4.081 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -16.022 6.904 5.776 1.00 0.00 H new ATOM 1250 N GLY A 77 -18.052 5.139 2.038 1.00 0.00 N ATOM 1251 CA GLY A 77 -18.465 4.960 0.658 1.00 0.00 C ATOM 1252 C GLY A 77 -18.530 3.500 0.257 1.00 0.00 C ATOM 1253 O GLY A 77 -19.485 3.068 -0.390 1.00 0.00 O ATOM 0 H GLY A 77 -17.043 5.166 2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -19.444 5.417 0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.768 5.483 0.003 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.511 2.738 0.638 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.455 1.317 0.313 1.00 0.00 C ATOM 1259 C LEU A 78 -17.375 0.470 1.579 1.00 0.00 C ATOM 1260 O LEU A 78 -16.701 -0.560 1.609 1.00 0.00 O ATOM 1261 CB LEU A 78 -16.251 1.026 -0.585 1.00 0.00 C ATOM 1262 CG LEU A 78 -16.034 1.993 -1.750 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.585 1.957 -2.211 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.970 1.659 -2.902 1.00 0.00 C ATOM 0 H LEU A 78 -16.712 3.080 1.172 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.370 1.056 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.353 1.026 0.033 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.359 0.020 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.259 3.002 -1.406 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.450 2.651 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.933 2.246 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.332 0.948 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.802 2.357 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.776 0.643 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -18.004 1.737 -2.565 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.069 0.911 2.623 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.080 0.193 3.892 1.00 0.00 C ATOM 1278 C LYS A 79 -18.853 -1.116 3.770 1.00 0.00 C ATOM 1279 O LYS A 79 -18.945 -1.885 4.726 1.00 0.00 O ATOM 1280 CB LYS A 79 -18.700 1.063 4.988 1.00 0.00 C ATOM 1281 CG LYS A 79 -20.211 1.174 4.894 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.631 2.254 3.911 1.00 0.00 C ATOM 1283 CE LYS A 79 -22.056 2.720 4.169 1.00 0.00 C ATOM 1284 NZ LYS A 79 -22.288 4.101 3.663 1.00 0.00 N ATOM 0 H LYS A 79 -18.631 1.762 2.615 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.049 -0.038 4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -18.434 0.651 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -18.267 2.062 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -20.628 0.216 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -20.622 1.397 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -19.950 3.102 3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.551 1.872 2.893 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -22.755 2.035 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.261 2.686 5.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.517 4.729 4.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.430 4.445 3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -23.079 4.095 2.988 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.405 -1.364 2.587 1.00 0.00 N ATOM 1299 CA ASN A 80 -20.169 -2.581 2.340 1.00 0.00 C ATOM 1300 C ASN A 80 -19.267 -3.693 1.813 1.00 0.00 C ATOM 1301 O ASN A 80 -19.580 -4.876 1.946 1.00 0.00 O ATOM 1302 CB ASN A 80 -21.296 -2.307 1.341 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.386 -3.360 1.397 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.342 -4.272 2.222 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.371 -3.238 0.515 1.00 0.00 N ATOM 0 H ASN A 80 -19.337 -0.738 1.784 1.00 0.00 H new ATOM 0 HA ASN A 80 -20.602 -2.906 3.286 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -21.729 -1.328 1.546 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -20.883 -2.268 0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -24.132 -3.917 0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -23.366 -2.465 -0.151 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.146 -3.304 1.216 1.00 0.00 N ATOM 1313 CA CYS A 81 -17.197 -4.267 0.669 1.00 0.00 C ATOM 1314 C CYS A 81 -15.848 -4.161 1.372 1.00 0.00 C ATOM 1315 O CYS A 81 -15.297 -3.071 1.520 1.00 0.00 O ATOM 1316 CB CYS A 81 -17.021 -4.043 -0.834 1.00 0.00 C ATOM 1317 SG CYS A 81 -18.184 -4.974 -1.860 1.00 0.00 S ATOM 0 H CYS A 81 -17.872 -2.329 1.098 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.596 -5.268 0.836 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.134 -2.980 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.004 -4.318 -1.115 1.00 0.00 H new ATOM 0 HG CYS A 81 -19.143 -4.188 -2.251 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.321 -5.302 1.805 1.00 0.00 N ATOM 1324 CA GLY A 82 -14.041 -5.315 2.490 1.00 0.00 C ATOM 1325 C GLY A 82 -14.151 -4.867 3.934 1.00 0.00 C ATOM 1326 O GLY A 82 -15.127 -5.181 4.616 1.00 0.00 O ATOM 0 H GLY A 82 -15.757 -6.217 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.625 -6.322 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.344 -4.664 1.963 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.148 -4.132 4.401 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.136 -3.640 5.774 1.00 0.00 C ATOM 1332 C ASP A 83 -12.094 -2.540 5.948 1.00 0.00 C ATOM 1333 O ASP A 83 -11.264 -2.311 5.067 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.852 -4.786 6.747 1.00 0.00 C ATOM 1335 CG ASP A 83 -12.613 -4.299 8.162 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -13.489 -3.591 8.701 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -11.550 -4.625 8.731 1.00 0.00 O ATOM 0 H ASP A 83 -12.333 -3.864 3.850 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.119 -3.223 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -13.693 -5.480 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.979 -5.341 6.405 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.143 -1.860 7.089 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.204 -0.783 7.378 1.00 0.00 C ATOM 1344 C VAL A 84 -9.763 -1.278 7.316 1.00 0.00 C ATOM 1345 O VAL A 84 -8.825 -0.485 7.269 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.464 -0.169 8.767 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -11.341 -1.229 9.851 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -10.507 0.984 9.027 1.00 0.00 C ATOM 0 H VAL A 84 -12.823 -2.036 7.828 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.356 -0.018 6.616 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.481 0.221 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.528 -0.777 10.825 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.070 -2.019 9.672 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.337 -1.652 9.834 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.705 1.406 10.012 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.480 0.621 8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.649 1.753 8.268 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.596 -2.597 7.314 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.269 -3.199 7.257 1.00 0.00 C ATOM 1360 C ASN A 85 -7.769 -3.277 5.818 1.00 0.00 C ATOM 1361 O ASN A 85 -6.565 -3.219 5.565 1.00 0.00 O ATOM 1362 CB ASN A 85 -8.295 -4.598 7.876 1.00 0.00 C ATOM 1363 CG ASN A 85 -8.004 -4.577 9.365 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -6.943 -5.017 9.807 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -8.948 -4.064 10.144 1.00 0.00 N ATOM 0 H ASN A 85 -10.363 -3.269 7.351 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.586 -2.569 7.827 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -9.272 -5.050 7.706 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -7.561 -5.228 7.374 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -8.809 -4.023 11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -9.812 -3.711 9.733 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.700 -3.408 4.880 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.354 -3.494 3.466 1.00 0.00 C ATOM 1374 C CYS A 86 -8.204 -2.103 2.857 1.00 0.00 C ATOM 1375 O CYS A 86 -7.295 -1.856 2.065 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.419 -4.285 2.705 1.00 0.00 C ATOM 1377 SG CYS A 86 -10.233 -5.564 3.691 1.00 0.00 S ATOM 0 H CYS A 86 -9.700 -3.457 5.073 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.399 -4.012 3.383 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.174 -3.592 2.333 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -8.957 -4.751 1.834 1.00 0.00 H new ATOM 0 HG CYS A 86 -11.118 -6.176 2.962 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.104 -1.200 3.231 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.073 0.165 2.721 1.00 0.00 C ATOM 1385 C ILE A 87 -7.704 0.801 2.937 1.00 0.00 C ATOM 1386 O ILE A 87 -7.087 1.305 1.999 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.145 1.042 3.394 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.545 0.577 2.986 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -9.939 2.505 3.029 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.628 1.000 3.953 1.00 0.00 C ATOM 0 H ILE A 87 -9.863 -1.389 3.885 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.281 0.107 1.652 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.050 0.941 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.777 0.973 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.548 -0.510 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.705 3.112 3.512 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -8.954 2.829 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.011 2.624 1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.593 0.636 3.600 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.420 0.582 4.938 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.653 2.088 4.019 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.233 0.772 4.180 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.938 1.347 4.496 1.00 0.00 C ATOM 1404 C GLY A 88 -4.839 0.837 3.586 1.00 0.00 C ATOM 1405 O GLY A 88 -4.018 1.614 3.098 1.00 0.00 O ATOM 0 H GLY A 88 -7.725 0.361 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.997 2.432 4.416 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.685 1.117 5.531 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.822 -0.472 3.356 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.813 -1.084 2.500 1.00 0.00 C ATOM 1411 C ARG A 89 -3.745 -0.377 1.150 1.00 0.00 C ATOM 1412 O ARG A 89 -2.693 0.127 0.755 1.00 0.00 O ATOM 1413 CB ARG A 89 -4.121 -2.569 2.296 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.766 -3.435 3.493 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.333 -3.939 3.411 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.377 -2.955 3.911 1.00 0.00 N ATOM 1417 CZ ARG A 89 -1.110 -2.779 5.200 1.00 0.00 C ATOM 1418 NH1 ARG A 89 -1.723 -3.517 6.115 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -0.227 -1.863 5.577 1.00 0.00 N ATOM 0 H ARG A 89 -5.495 -1.129 3.750 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.845 -0.985 2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.183 -2.684 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.575 -2.928 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.899 -2.862 4.410 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.449 -4.283 3.545 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.239 -4.860 3.986 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.094 -4.184 2.376 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.887 -2.371 3.233 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.402 -4.223 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.516 -3.379 7.104 1.00 0.00 H new ATOM 0 HH21 ARG A 89 0.247 -1.293 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.023 -1.729 6.567 1.00 0.00 H new ATOM 1433 N ILE A 90 -4.871 -0.346 0.446 1.00 0.00 N ATOM 1434 CA ILE A 90 -4.939 0.299 -0.859 1.00 0.00 C ATOM 1435 C ILE A 90 -4.664 1.795 -0.748 1.00 0.00 C ATOM 1436 O ILE A 90 -3.640 2.286 -1.225 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.313 0.089 -1.521 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.703 -1.390 -1.479 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.294 0.596 -2.956 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.039 -1.682 -2.125 1.00 0.00 C ATOM 0 H ILE A 90 -5.749 -0.760 0.758 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.172 -0.164 -1.479 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.058 0.658 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.931 -1.975 -1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.731 -1.721 -0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.273 0.440 -3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.056 1.660 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.540 0.052 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.250 -2.749 -2.058 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.822 -1.124 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.010 -1.383 -3.173 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.585 2.514 -0.114 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.441 3.955 0.062 1.00 0.00 C ATOM 1454 C HIS A 91 -3.990 4.324 0.358 1.00 0.00 C ATOM 1455 O HIS A 91 -3.430 5.229 -0.262 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.345 4.444 1.195 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.687 5.899 1.102 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.971 6.883 1.751 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.674 6.536 0.430 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.505 8.062 1.483 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.540 7.878 0.683 1.00 0.00 N ATOM 0 H HIS A 91 -6.438 2.123 0.286 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.739 4.441 -0.867 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.266 3.862 1.191 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.853 4.255 2.149 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -5.157 6.726 2.345 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.428 6.074 -0.190 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.155 9.014 1.855 1.00 0.00 H new ATOM 1469 N THR A 92 -3.387 3.618 1.309 1.00 0.00 N ATOM 1470 CA THR A 92 -2.003 3.872 1.688 1.00 0.00 C ATOM 1471 C THR A 92 -1.057 3.614 0.520 1.00 0.00 C ATOM 1472 O THR A 92 -0.417 4.535 0.012 1.00 0.00 O ATOM 1473 CB THR A 92 -1.577 2.997 2.882 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.357 3.331 4.035 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.100 3.185 3.190 1.00 0.00 C ATOM 0 H THR A 92 -3.836 2.865 1.831 1.00 0.00 H new ATOM 0 HA THR A 92 -1.942 4.921 1.977 1.00 0.00 H new ATOM 0 HB THR A 92 -1.746 1.953 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.186 2.809 4.032 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.178 2.557 4.037 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.492 2.903 2.319 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.090 4.230 3.435 1.00 0.00 H new ATOM 1483 N TYR A 93 -0.974 2.357 0.099 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.104 1.978 -1.008 1.00 0.00 C ATOM 1485 C TYR A 93 -0.120 3.040 -2.102 1.00 0.00 C ATOM 1486 O TYR A 93 0.883 3.712 -2.348 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.537 0.629 -1.584 1.00 0.00 C ATOM 1488 CG TYR A 93 0.119 0.297 -2.906 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.502 0.309 -3.040 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.644 -0.027 -4.021 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.105 0.007 -4.245 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.049 -0.332 -5.230 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.326 -0.313 -5.337 1.00 0.00 C ATOM 1494 OH TYR A 93 1.922 -0.614 -6.540 1.00 0.00 O ATOM 0 H TYR A 93 -1.498 1.583 0.507 1.00 0.00 H new ATOM 0 HA TYR A 93 0.913 1.893 -0.625 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.303 -0.156 -0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.619 0.630 -1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.116 0.559 -2.187 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.721 -0.041 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.181 0.021 -4.332 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.657 -0.584 -6.086 1.00 0.00 H new ATOM 0 HH TYR A 93 2.315 -1.510 -6.495 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.267 3.188 -2.757 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.417 4.170 -3.826 1.00 0.00 C ATOM 1506 C LEU A 94 -0.757 5.492 -3.447 1.00 0.00 C ATOM 1507 O LEU A 94 -0.192 6.180 -4.297 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.898 4.396 -4.133 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.688 3.163 -4.576 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.145 3.285 -4.158 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.576 2.971 -6.081 1.00 0.00 C ATOM 0 H LEU A 94 -2.106 2.641 -2.567 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.923 3.780 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.374 4.807 -3.243 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.975 5.152 -4.914 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.263 2.287 -4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.692 2.399 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.206 3.373 -3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.583 4.170 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.144 2.089 -6.379 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.974 3.848 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.529 2.837 -6.354 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.830 5.839 -2.166 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.238 7.078 -1.676 1.00 0.00 C ATOM 1525 C GLU A 95 1.280 6.957 -1.587 1.00 0.00 C ATOM 1526 O GLU A 95 2.005 7.932 -1.791 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.814 7.437 -0.305 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.420 8.823 0.177 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.222 9.272 1.383 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.400 8.871 1.495 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -0.672 10.024 2.214 1.00 0.00 O ATOM 0 H GLU A 95 -1.293 5.280 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.481 7.872 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -1.901 7.372 -0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.480 6.699 0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.641 8.828 0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.559 9.538 -0.634 1.00 0.00 H new ATOM 1538 N LEU A 96 1.755 5.755 -1.279 1.00 0.00 N ATOM 1539 CA LEU A 96 3.187 5.506 -1.162 1.00 0.00 C ATOM 1540 C LEU A 96 3.863 5.555 -2.528 1.00 0.00 C ATOM 1541 O LEU A 96 5.043 5.892 -2.636 1.00 0.00 O ATOM 1542 CB LEU A 96 3.436 4.146 -0.506 1.00 0.00 C ATOM 1543 CG LEU A 96 2.716 3.898 0.820 1.00 0.00 C ATOM 1544 CD1 LEU A 96 2.965 2.479 1.305 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.163 4.908 1.866 1.00 0.00 C ATOM 0 H LEU A 96 1.169 4.938 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 96 3.616 6.289 -0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.140 3.367 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.508 4.036 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 96 1.645 4.022 0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.445 2.321 2.250 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.594 1.771 0.564 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.035 2.326 1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.640 4.717 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.238 4.816 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.932 5.916 1.521 1.00 0.00 H new ATOM 1557 N ILE A 97 3.107 5.220 -3.569 1.00 0.00 N ATOM 1558 CA ILE A 97 3.632 5.230 -4.928 1.00 0.00 C ATOM 1559 C ILE A 97 3.380 6.573 -5.605 1.00 0.00 C ATOM 1560 O ILE A 97 3.967 6.878 -6.642 1.00 0.00 O ATOM 1561 CB ILE A 97 3.006 4.112 -5.782 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.492 4.062 -5.564 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.640 2.771 -5.446 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.775 3.131 -6.517 1.00 0.00 C ATOM 0 H ILE A 97 2.129 4.938 -3.496 1.00 0.00 H new ATOM 0 HA ILE A 97 4.706 5.060 -4.852 1.00 0.00 H new ATOM 0 HB ILE A 97 3.196 4.328 -6.833 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.291 3.747 -4.540 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.084 5.067 -5.674 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.187 1.991 -6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.710 2.814 -5.647 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.478 2.546 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.294 3.146 -6.305 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.946 3.458 -7.543 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.156 2.118 -6.391 1.00 0.00 H new ATOM 1576 N GLY A 98 2.503 7.375 -5.009 1.00 0.00 N ATOM 1577 CA GLY A 98 2.189 8.677 -5.567 1.00 0.00 C ATOM 1578 C GLY A 98 0.867 8.687 -6.308 1.00 0.00 C ATOM 1579 O GLY A 98 0.236 9.734 -6.451 1.00 0.00 O ATOM 0 H GLY A 98 2.004 7.146 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.158 9.415 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.985 8.979 -6.247 1.00 0.00 H new ATOM 1583 N ALA A 99 0.447 7.519 -6.783 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.808 7.397 -7.513 1.00 0.00 C ATOM 1585 C ALA A 99 -1.861 8.351 -6.957 1.00 0.00 C ATOM 1586 O ALA A 99 -2.702 8.861 -7.698 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.313 5.963 -7.460 1.00 0.00 C ATOM 0 H ALA A 99 0.958 6.643 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.622 7.667 -8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.251 5.887 -8.010 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.574 5.300 -7.910 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.476 5.673 -6.422 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.809 8.586 -5.651 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.758 9.479 -4.998 1.00 0.00 C ATOM 1595 C ILE A 100 -2.067 10.343 -3.948 1.00 0.00 C ATOM 1596 O ILE A 100 -1.139 9.897 -3.275 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.900 8.693 -4.327 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.338 7.712 -3.297 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.722 7.956 -5.375 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.289 7.419 -2.158 1.00 0.00 C ATOM 0 H ILE A 100 -1.120 8.171 -5.024 1.00 0.00 H new ATOM 0 HA ILE A 100 -3.175 10.119 -5.775 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.552 9.398 -3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.085 6.777 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.411 8.116 -2.890 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.525 7.405 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.149 8.675 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -4.081 7.260 -5.916 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.823 6.716 -1.467 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.523 8.345 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.207 6.985 -2.553 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.527 11.583 -3.814 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.954 12.511 -2.846 1.00 0.00 C ATOM 1614 C ASN A 101 -0.431 12.523 -2.939 1.00 0.00 C ATOM 1615 O ASN A 101 0.265 12.385 -1.933 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.386 12.131 -1.428 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.862 11.794 -1.344 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.698 12.459 -1.956 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.189 10.756 -0.583 1.00 0.00 N ATOM 0 H ASN A 101 -3.295 11.968 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.322 13.511 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.801 11.276 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.165 12.956 -0.751 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.167 10.481 -0.488 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.462 10.233 -0.094 1.00 0.00 H new ATOM 1626 N PHE A 102 0.080 12.689 -4.155 1.00 0.00 N ATOM 1627 CA PHE A 102 1.520 12.720 -4.381 1.00 0.00 C ATOM 1628 C PHE A 102 2.151 13.934 -3.706 1.00 0.00 C ATOM 1629 O PHE A 102 1.629 15.045 -3.790 1.00 0.00 O ATOM 1630 CB PHE A 102 1.822 12.741 -5.881 1.00 0.00 C ATOM 1631 CG PHE A 102 3.270 12.984 -6.197 1.00 0.00 C ATOM 1632 CD1 PHE A 102 4.216 11.995 -5.983 1.00 0.00 C ATOM 1633 CD2 PHE A 102 3.686 14.203 -6.709 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.549 12.215 -6.273 1.00 0.00 C ATOM 1635 CE2 PHE A 102 5.017 14.430 -7.001 1.00 0.00 C ATOM 1636 CZ PHE A 102 5.950 13.435 -6.782 1.00 0.00 C ATOM 0 H PHE A 102 -0.482 12.804 -4.998 1.00 0.00 H new ATOM 0 HA PHE A 102 1.951 11.819 -3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.517 11.790 -6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.220 13.517 -6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.908 11.040 -5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 102 2.961 14.985 -6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 102 6.276 11.435 -6.102 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.328 15.384 -7.400 1.00 0.00 H new ATOM 0 HZ PHE A 102 6.991 13.611 -7.008 1.00 0.00 H new ATOM 1646 N GLY A 103 3.278 13.713 -3.037 1.00 0.00 N ATOM 1647 CA GLY A 103 3.962 14.798 -2.356 1.00 0.00 C ATOM 1648 C GLY A 103 3.004 15.729 -1.640 1.00 0.00 C ATOM 1649 O GLY A 103 2.784 16.859 -2.076 1.00 0.00 O ATOM 0 H GLY A 103 3.730 12.802 -2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.667 14.383 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.544 15.368 -3.080 1.00 0.00 H new ATOM 1653 N CYS A 104 2.431 15.253 -0.540 1.00 0.00 N ATOM 1654 CA CYS A 104 1.489 16.050 0.237 1.00 0.00 C ATOM 1655 C CYS A 104 1.971 16.214 1.675 1.00 0.00 C ATOM 1656 O CYS A 104 2.385 15.247 2.314 1.00 0.00 O ATOM 1657 CB CYS A 104 0.104 15.401 0.221 1.00 0.00 C ATOM 1658 SG CYS A 104 -0.852 15.738 -1.276 1.00 0.00 S ATOM 0 H CYS A 104 2.602 14.319 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 104 1.424 17.038 -0.220 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.219 14.323 0.331 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.460 15.751 1.086 1.00 0.00 H new ATOM 0 HG CYS A 104 -0.105 15.540 -2.322 1.00 0.00 H new ATOM 1664 N GLU A 105 1.915 17.444 2.176 1.00 0.00 N ATOM 1665 CA GLU A 105 2.349 17.733 3.538 1.00 0.00 C ATOM 1666 C GLU A 105 1.636 16.829 4.539 1.00 0.00 C ATOM 1667 O GLU A 105 2.186 16.493 5.588 1.00 0.00 O ATOM 1668 CB GLU A 105 2.084 19.200 3.880 1.00 0.00 C ATOM 1669 CG GLU A 105 2.317 19.536 5.344 1.00 0.00 C ATOM 1670 CD GLU A 105 3.768 19.857 5.645 1.00 0.00 C ATOM 1671 OE1 GLU A 105 4.548 18.913 5.883 1.00 0.00 O ATOM 1672 OE2 GLU A 105 4.122 21.055 5.641 1.00 0.00 O ATOM 0 H GLU A 105 1.574 18.255 1.660 1.00 0.00 H new ATOM 0 HA GLU A 105 3.420 17.541 3.600 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.727 19.830 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.054 19.445 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 105 1.695 20.388 5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 105 1.999 18.695 5.961 1.00 0.00 H new ATOM 1679 N GLN A 106 0.409 16.440 4.208 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.380 15.576 5.079 1.00 0.00 C ATOM 1681 C GLN A 106 -0.426 14.152 4.535 1.00 0.00 C ATOM 1682 O GLN A 106 -1.502 13.605 4.293 1.00 0.00 O ATOM 1683 CB GLN A 106 -1.800 16.125 5.227 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.545 16.247 3.907 1.00 0.00 C ATOM 1685 CD GLN A 106 -3.555 17.378 3.910 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -4.623 17.271 4.514 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.222 18.471 3.233 1.00 0.00 N ATOM 0 H GLN A 106 -0.060 16.709 3.343 1.00 0.00 H new ATOM 0 HA GLN A 106 0.097 15.556 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.365 15.474 5.895 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -1.754 17.105 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -1.827 16.408 3.103 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -3.057 15.308 3.695 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.326 18.517 2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -3.862 19.265 3.199 1.00 0.00 H new ATOM 1696 N ALA A 107 0.747 13.557 4.346 1.00 0.00 N ATOM 1697 CA ALA A 107 0.840 12.196 3.833 1.00 0.00 C ATOM 1698 C ALA A 107 1.112 11.203 4.957 1.00 0.00 C ATOM 1699 O ALA A 107 1.506 11.589 6.058 1.00 0.00 O ATOM 1700 CB ALA A 107 1.925 12.105 2.771 1.00 0.00 C ATOM 0 H ALA A 107 1.647 13.997 4.541 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.118 11.939 3.381 1.00 0.00 H new ATOM 0 HB1 ALA A 107 1.983 11.083 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.687 12.779 1.949 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.884 12.387 3.205 1.00 0.00 H new ATOM 1706 N VAL A 108 0.899 9.922 4.673 1.00 0.00 N ATOM 1707 CA VAL A 108 1.122 8.873 5.661 1.00 0.00 C ATOM 1708 C VAL A 108 2.612 8.624 5.871 1.00 0.00 C ATOM 1709 O VAL A 108 3.017 8.029 6.870 1.00 0.00 O ATOM 1710 CB VAL A 108 0.447 7.554 5.241 1.00 0.00 C ATOM 1711 CG1 VAL A 108 0.857 7.170 3.827 1.00 0.00 C ATOM 1712 CG2 VAL A 108 0.789 6.444 6.224 1.00 0.00 C ATOM 0 H VAL A 108 0.572 9.586 3.767 1.00 0.00 H new ATOM 0 HA VAL A 108 0.679 9.218 6.595 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.633 7.699 5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.370 6.236 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.556 7.957 3.135 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.939 7.042 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.304 5.519 5.912 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.869 6.298 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.440 6.719 7.219 1.00 0.00 H new ATOM 1722 N TYR A 109 3.422 9.083 4.925 1.00 0.00 N ATOM 1723 CA TYR A 109 4.867 8.909 5.005 1.00 0.00 C ATOM 1724 C TYR A 109 5.559 10.233 5.316 1.00 0.00 C ATOM 1725 O TYR A 109 6.702 10.257 5.771 1.00 0.00 O ATOM 1726 CB TYR A 109 5.406 8.334 3.694 1.00 0.00 C ATOM 1727 CG TYR A 109 5.075 9.176 2.482 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.819 10.308 2.174 1.00 0.00 C ATOM 1729 CD2 TYR A 109 4.017 8.839 1.646 1.00 0.00 C ATOM 1730 CE1 TYR A 109 5.519 11.081 1.068 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.711 9.605 0.538 1.00 0.00 C ATOM 1732 CZ TYR A 109 4.465 10.725 0.253 1.00 0.00 C ATOM 1733 OH TYR A 109 4.162 11.491 -0.849 1.00 0.00 O ATOM 0 H TYR A 109 3.103 9.579 4.093 1.00 0.00 H new ATOM 0 HA TYR A 109 5.079 8.210 5.814 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.488 8.231 3.770 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.000 7.332 3.552 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.646 10.589 2.809 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.424 7.964 1.866 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.107 11.959 0.843 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.886 9.329 -0.102 1.00 0.00 H new ATOM 0 HH TYR A 109 3.393 11.102 -1.316 1.00 0.00 H new ATOM 1743 N ASN A 110 4.857 11.333 5.065 1.00 0.00 N ATOM 1744 CA ASN A 110 5.402 12.662 5.318 1.00 0.00 C ATOM 1745 C ASN A 110 5.787 12.822 6.786 1.00 0.00 C ATOM 1746 O ASN A 110 6.822 13.405 7.107 1.00 0.00 O ATOM 1747 CB ASN A 110 4.386 13.736 4.925 1.00 0.00 C ATOM 1748 CG ASN A 110 5.050 15.036 4.514 1.00 0.00 C ATOM 1749 OD1 ASN A 110 5.716 15.687 5.318 1.00 0.00 O ATOM 1750 ND2 ASN A 110 4.868 15.421 3.256 1.00 0.00 N ATOM 0 H ASN A 110 3.910 11.331 4.687 1.00 0.00 H new ATOM 0 HA ASN A 110 6.299 12.781 4.711 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.772 13.368 4.102 1.00 0.00 H new ATOM 0 HB3 ASN A 110 3.716 13.923 5.764 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.289 16.288 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 110 4.308 14.849 2.624 1.00 0.00 H new ATOM 1757 N ARG A 111 4.945 12.300 7.672 1.00 0.00 N ATOM 1758 CA ARG A 111 5.196 12.386 9.106 1.00 0.00 C ATOM 1759 C ARG A 111 5.831 11.099 9.624 1.00 0.00 C ATOM 1760 O ARG A 111 5.992 10.131 8.881 1.00 0.00 O ATOM 1761 CB ARG A 111 3.893 12.663 9.858 1.00 0.00 C ATOM 1762 CG ARG A 111 2.814 11.622 9.610 1.00 0.00 C ATOM 1763 CD ARG A 111 1.529 11.966 10.346 1.00 0.00 C ATOM 1764 NE ARG A 111 1.601 11.623 11.764 1.00 0.00 N ATOM 1765 CZ ARG A 111 0.547 11.606 12.571 1.00 0.00 C ATOM 1766 NH1 ARG A 111 -0.656 11.911 12.103 1.00 0.00 N ATOM 1767 NH2 ARG A 111 0.693 11.283 13.850 1.00 0.00 N ATOM 0 H ARG A 111 4.084 11.814 7.423 1.00 0.00 H new ATOM 0 HA ARG A 111 5.889 13.209 9.280 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.103 12.709 10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.515 13.643 9.565 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.614 11.551 8.541 1.00 0.00 H new ATOM 0 HG3 ARG A 111 3.169 10.644 9.934 1.00 0.00 H new ATOM 0 HD2 ARG A 111 1.325 13.032 10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.695 11.435 9.887 1.00 0.00 H new ATOM 0 HE ARG A 111 2.512 11.383 12.156 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -0.773 12.159 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -1.464 11.897 12.725 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.616 11.047 14.214 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.118 11.270 14.469 1.00 0.00 H new