USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 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 54 CYS SG : rot 147:sc= 0.853 USER MOD Set 1.2: A 57 CYS SG : rot -63:sc= -0.765 USER MOD Set 1.3: A 75 CYS SG : rot -122:sc= -0.306 USER MOD Set 1.4: A 78 CYS SG : rot 84:sc= 0.467 USER MOD Set 2.1: A 28 CYS SG : rot 120:sc= 0.816 USER MOD Set 2.2: A 31 CYS SG : rot -52:sc= -0.439 USER MOD Set 2.3: A 48 HIS : no HE2:sc= -4.47! C(o=-4.1!,f=-7.4!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.313 K(o=0.31,f=-1) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.123 (180deg=-0.706) USER MOD Single : A 25 THR OG1 : rot 16:sc= 0.384 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.337 X(o=-0.34,f=0.081) USER MOD Single : A 32 ASN : amide:sc= -0.384 K(o=-0.38,f=-4.5!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 154:sc= -1.17 (180deg=-2.67!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.6!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.938 K(o=-0.94,f=-3.6!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -125:sc= -1.98! (180deg=-7.22!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.066) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.266 6.101 7.235 1.00 0.00 N ATOM 122 CA LEU A 12 6.267 6.702 6.359 1.00 0.00 C ATOM 123 C LEU A 12 5.142 5.716 6.058 1.00 0.00 C ATOM 124 O LEU A 12 3.974 6.095 5.980 1.00 0.00 O ATOM 125 CB LEU A 12 6.916 7.166 5.054 1.00 0.00 C ATOM 126 CG LEU A 12 7.708 8.472 5.126 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.939 8.303 6.003 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.105 8.932 3.730 1.00 0.00 C ATOM 0 HA LEU A 12 5.842 7.564 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.583 6.379 4.703 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.134 7.279 4.303 1.00 0.00 H new ATOM 0 HG LEU A 12 7.072 9.236 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.490 9.243 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.632 8.020 7.010 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.578 7.525 5.586 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.668 9.863 3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.723 8.169 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.208 9.094 3.132 1.00 0.00 H new ATOM 140 N VAL A 13 5.503 4.447 5.892 1.00 0.00 N ATOM 141 CA VAL A 13 4.525 3.406 5.603 1.00 0.00 C ATOM 142 C VAL A 13 3.194 3.696 6.288 1.00 0.00 C ATOM 143 O VAL A 13 3.134 3.849 7.508 1.00 0.00 O ATOM 144 CB VAL A 13 5.030 2.022 6.053 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.935 0.977 5.897 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.270 1.626 5.266 1.00 0.00 C ATOM 0 H VAL A 13 6.466 4.116 5.953 1.00 0.00 H new ATOM 0 HA VAL A 13 4.380 3.399 4.523 1.00 0.00 H new ATOM 0 HB VAL A 13 5.299 2.078 7.108 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.310 0.006 6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.076 1.256 6.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.633 0.920 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.613 0.646 5.597 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.030 1.587 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.057 2.361 5.433 1.00 0.00 H new ATOM 156 N GLN A 14 2.130 3.770 5.495 1.00 0.00 N ATOM 157 CA GLN A 14 0.800 4.043 6.026 1.00 0.00 C ATOM 158 C GLN A 14 -0.120 2.842 5.833 1.00 0.00 C ATOM 159 O GLN A 14 0.275 1.834 5.246 1.00 0.00 O ATOM 160 CB GLN A 14 0.199 5.275 5.347 1.00 0.00 C ATOM 161 CG GLN A 14 0.958 6.560 5.636 1.00 0.00 C ATOM 162 CD GLN A 14 0.279 7.783 5.052 1.00 0.00 C ATOM 163 OE1 GLN A 14 0.762 8.373 4.085 1.00 0.00 O ATOM 164 NE2 GLN A 14 -0.848 8.171 5.637 1.00 0.00 N ATOM 0 H GLN A 14 2.163 3.645 4.483 1.00 0.00 H new ATOM 0 HA GLN A 14 0.896 4.237 7.094 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.176 5.111 4.270 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.834 5.392 5.674 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.057 6.684 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.967 6.481 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.213 7.652 6.436 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.349 8.988 5.287 1.00 0.00 H new ATOM 173 N ARG A 15 -1.347 2.956 6.330 1.00 0.00 N ATOM 174 CA ARG A 15 -2.322 1.879 6.213 1.00 0.00 C ATOM 175 C ARG A 15 -3.734 2.438 6.057 1.00 0.00 C ATOM 176 O ARG A 15 -4.220 3.173 6.916 1.00 0.00 O ATOM 177 CB ARG A 15 -2.256 0.967 7.440 1.00 0.00 C ATOM 178 CG ARG A 15 -1.037 0.059 7.460 1.00 0.00 C ATOM 179 CD ARG A 15 -0.980 -0.769 8.733 1.00 0.00 C ATOM 180 NE ARG A 15 0.382 -1.185 9.055 1.00 0.00 N ATOM 181 CZ ARG A 15 0.670 -2.230 9.824 1.00 0.00 C ATOM 182 NH1 ARG A 15 -0.305 -2.960 10.347 1.00 0.00 N ATOM 183 NH2 ARG A 15 1.935 -2.545 10.071 1.00 0.00 N ATOM 0 H ARG A 15 -1.690 3.784 6.818 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.079 1.298 5.323 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.255 1.582 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.156 0.353 7.475 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.061 -0.603 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.132 0.661 7.375 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.387 -0.189 9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.611 -1.651 8.621 1.00 0.00 H new ATOM 0 HE ARG A 15 1.155 -0.644 8.668 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.279 -2.720 10.160 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -0.082 -3.762 10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.688 -1.985 9.671 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.155 -3.347 10.661 1.00 0.00 H new ATOM 197 N ALA A 16 -4.385 2.085 4.954 1.00 0.00 N ATOM 198 CA ALA A 16 -5.741 2.549 4.686 1.00 0.00 C ATOM 199 C ALA A 16 -6.743 1.895 5.631 1.00 0.00 C ATOM 200 O ALA A 16 -6.845 0.670 5.690 1.00 0.00 O ATOM 201 CB ALA A 16 -6.118 2.270 3.239 1.00 0.00 C ATOM 0 H ALA A 16 -3.996 1.479 4.231 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.770 3.625 4.857 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.133 2.622 3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.427 2.790 2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.065 1.198 3.049 1.00 0.00 H new ATOM 207 N GLU A 17 -7.479 2.720 6.369 1.00 0.00 N ATOM 208 CA GLU A 17 -8.471 2.220 7.313 1.00 0.00 C ATOM 209 C GLU A 17 -9.617 1.527 6.581 1.00 0.00 C ATOM 210 O GLU A 17 -10.406 2.171 5.889 1.00 0.00 O ATOM 211 CB GLU A 17 -9.017 3.365 8.169 1.00 0.00 C ATOM 212 CG GLU A 17 -9.616 2.908 9.488 1.00 0.00 C ATOM 213 CD GLU A 17 -10.654 3.874 10.024 1.00 0.00 C ATOM 214 OE1 GLU A 17 -10.417 5.099 9.955 1.00 0.00 O ATOM 215 OE2 GLU A 17 -11.703 3.406 10.512 1.00 0.00 O ATOM 0 H GLU A 17 -7.407 3.737 6.331 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.983 1.492 7.961 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.212 4.072 8.371 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.777 3.901 7.601 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.073 1.927 9.355 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.820 2.792 10.223 1.00 0.00 H new ATOM 222 N HIS A 18 -9.702 0.210 6.739 1.00 0.00 N ATOM 223 CA HIS A 18 -10.751 -0.572 6.094 1.00 0.00 C ATOM 224 C HIS A 18 -12.130 -0.130 6.574 1.00 0.00 C ATOM 225 O HIS A 18 -12.470 -0.289 7.746 1.00 0.00 O ATOM 226 CB HIS A 18 -10.552 -2.061 6.375 1.00 0.00 C ATOM 227 CG HIS A 18 -9.634 -2.737 5.405 1.00 0.00 C ATOM 228 ND1 HIS A 18 -10.064 -3.670 4.485 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.300 -2.611 5.213 1.00 0.00 C ATOM 230 CE1 HIS A 18 -9.035 -4.088 3.771 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.952 -3.461 4.193 1.00 0.00 N ATOM 0 H HIS A 18 -9.057 -0.338 7.308 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.689 -0.402 5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.155 -2.182 7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.521 -2.559 6.352 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.633 -1.962 5.761 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -9.073 -4.819 2.977 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.011 -3.588 3.822 1.00 0.00 H new ATOM 240 N ILE A 19 -12.919 0.425 5.660 1.00 0.00 N ATOM 241 CA ILE A 19 -14.261 0.888 5.990 1.00 0.00 C ATOM 242 C ILE A 19 -15.322 -0.045 5.416 1.00 0.00 C ATOM 243 O ILE A 19 -15.310 -0.386 4.233 1.00 0.00 O ATOM 244 CB ILE A 19 -14.509 2.314 5.465 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.532 3.298 6.113 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.947 2.735 5.731 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.612 3.322 7.623 1.00 0.00 C ATOM 0 H ILE A 19 -12.652 0.565 4.686 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.335 0.892 7.077 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.342 2.322 4.388 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.516 3.038 5.815 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.730 4.299 5.731 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.106 3.745 5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.626 2.048 5.226 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.140 2.714 6.804 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.892 4.041 8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.617 3.611 7.930 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.384 2.331 8.015 1.00 0.00 H new ATOM 259 N PRO A 20 -16.264 -0.468 6.273 1.00 0.00 N ATOM 260 CA PRO A 20 -17.352 -1.365 5.873 1.00 0.00 C ATOM 261 C PRO A 20 -18.357 -0.683 4.951 1.00 0.00 C ATOM 262 O PRO A 20 -18.383 0.543 4.845 1.00 0.00 O ATOM 263 CB PRO A 20 -18.012 -1.737 7.203 1.00 0.00 C ATOM 264 CG PRO A 20 -17.696 -0.600 8.113 1.00 0.00 C ATOM 265 CD PRO A 20 -16.339 -0.102 7.697 1.00 0.00 C ATOM 0 HA PRO A 20 -16.986 -2.223 5.308 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.088 -1.865 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.618 -2.676 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.444 0.188 8.027 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.691 -0.923 9.154 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.244 0.974 7.841 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.544 -0.572 8.275 1.00 0.00 H new ATOM 273 N ALA A 21 -19.183 -1.485 4.288 1.00 0.00 N ATOM 274 CA ALA A 21 -20.192 -0.958 3.377 1.00 0.00 C ATOM 275 C ALA A 21 -21.385 -0.398 4.144 1.00 0.00 C ATOM 276 O ALA A 21 -21.459 -0.514 5.366 1.00 0.00 O ATOM 277 CB ALA A 21 -20.645 -2.040 2.408 1.00 0.00 C ATOM 0 H ALA A 21 -19.174 -2.502 4.364 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.743 -0.143 2.809 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.398 -1.632 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.791 -2.390 1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.071 -2.874 2.967 1.00 0.00 H new ATOM 283 N GLY A 22 -22.318 0.210 3.417 1.00 0.00 N ATOM 284 CA GLY A 22 -23.495 0.779 4.047 1.00 0.00 C ATOM 285 C GLY A 22 -23.153 1.624 5.258 1.00 0.00 C ATOM 286 O GLY A 22 -23.764 1.480 6.317 1.00 0.00 O ATOM 0 H GLY A 22 -22.280 0.318 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.032 1.390 3.322 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -24.167 -0.025 4.347 1.00 0.00 H new ATOM 290 N LYS A 23 -22.172 2.507 5.104 1.00 0.00 N ATOM 291 CA LYS A 23 -21.748 3.378 6.193 1.00 0.00 C ATOM 292 C LYS A 23 -21.621 4.822 5.717 1.00 0.00 C ATOM 293 O LYS A 23 -22.257 5.724 6.263 1.00 0.00 O ATOM 294 CB LYS A 23 -20.412 2.900 6.766 1.00 0.00 C ATOM 295 CG LYS A 23 -19.950 3.694 7.976 1.00 0.00 C ATOM 296 CD LYS A 23 -20.390 3.039 9.274 1.00 0.00 C ATOM 297 CE LYS A 23 -21.746 3.558 9.728 1.00 0.00 C ATOM 298 NZ LYS A 23 -21.714 5.018 10.016 1.00 0.00 N ATOM 0 H LYS A 23 -21.655 2.638 4.234 1.00 0.00 H new ATOM 0 HA LYS A 23 -22.507 3.336 6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.500 1.850 7.043 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.650 2.962 5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -18.864 3.782 7.962 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -20.352 4.706 7.923 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.439 1.958 9.139 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.648 3.230 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.489 3.357 8.956 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -22.060 3.019 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -22.467 5.255 10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.791 5.272 10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.862 5.549 9.134 1.00 0.00 H new ATOM 312 N ARG A 24 -20.798 5.033 4.695 1.00 0.00 N ATOM 313 CA ARG A 24 -20.588 6.367 4.146 1.00 0.00 C ATOM 314 C ARG A 24 -20.812 6.375 2.637 1.00 0.00 C ATOM 315 O ARG A 24 -21.317 7.349 2.077 1.00 0.00 O ATOM 316 CB ARG A 24 -19.175 6.858 4.465 1.00 0.00 C ATOM 317 CG ARG A 24 -18.937 7.110 5.945 1.00 0.00 C ATOM 318 CD ARG A 24 -17.486 7.467 6.224 1.00 0.00 C ATOM 319 NE ARG A 24 -17.038 6.966 7.520 1.00 0.00 N ATOM 320 CZ ARG A 24 -16.025 7.491 8.201 1.00 0.00 C ATOM 321 NH1 ARG A 24 -15.360 8.528 7.712 1.00 0.00 N ATOM 322 NH2 ARG A 24 -15.677 6.979 9.375 1.00 0.00 N ATOM 0 H ARG A 24 -20.266 4.297 4.231 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.311 7.040 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.455 6.121 4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.986 7.779 3.913 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.584 7.919 6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.210 6.222 6.515 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.854 7.054 5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.367 8.550 6.193 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.530 6.169 7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -15.625 8.925 6.811 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.583 8.929 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.187 6.182 9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.899 7.383 9.897 1.00 0.00 H new ATOM 336 N THR A 25 -20.432 5.282 1.982 1.00 0.00 N ATOM 337 CA THR A 25 -20.589 5.163 0.538 1.00 0.00 C ATOM 338 C THR A 25 -20.141 6.436 -0.171 1.00 0.00 C ATOM 339 O THR A 25 -20.835 6.971 -1.036 1.00 0.00 O ATOM 340 CB THR A 25 -22.051 4.863 0.154 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.914 5.876 0.683 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.479 3.501 0.679 1.00 0.00 C ATOM 0 H THR A 25 -20.013 4.467 2.429 1.00 0.00 H new ATOM 0 HA THR A 25 -19.959 4.332 0.220 1.00 0.00 H new ATOM 0 HB THR A 25 -22.124 4.855 -0.934 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.381 6.657 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.514 3.311 0.396 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.839 2.729 0.252 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.391 3.486 1.765 1.00 0.00 H new ATOM 350 N PRO A 26 -18.953 6.935 0.202 1.00 0.00 N ATOM 351 CA PRO A 26 -18.386 8.151 -0.387 1.00 0.00 C ATOM 352 C PRO A 26 -17.956 7.948 -1.836 1.00 0.00 C ATOM 353 O PRO A 26 -17.950 6.825 -2.339 1.00 0.00 O ATOM 354 CB PRO A 26 -17.169 8.439 0.496 1.00 0.00 C ATOM 355 CG PRO A 26 -16.788 7.113 1.059 1.00 0.00 C ATOM 356 CD PRO A 26 -18.073 6.350 1.226 1.00 0.00 C ATOM 0 HA PRO A 26 -19.111 8.965 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.353 8.873 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.412 9.150 1.286 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.106 6.587 0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.275 7.227 2.014 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.929 5.281 1.069 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.485 6.472 2.228 1.00 0.00 H new ATOM 364 N MET A 27 -17.596 9.041 -2.501 1.00 0.00 N ATOM 365 CA MET A 27 -17.163 8.981 -3.892 1.00 0.00 C ATOM 366 C MET A 27 -15.658 8.754 -3.984 1.00 0.00 C ATOM 367 O MET A 27 -14.875 9.438 -3.323 1.00 0.00 O ATOM 368 CB MET A 27 -17.542 10.271 -4.622 1.00 0.00 C ATOM 369 CG MET A 27 -17.817 10.072 -6.104 1.00 0.00 C ATOM 370 SD MET A 27 -19.029 11.241 -6.748 1.00 0.00 S ATOM 371 CE MET A 27 -20.530 10.270 -6.633 1.00 0.00 C ATOM 0 H MET A 27 -17.596 9.978 -2.099 1.00 0.00 H new ATOM 0 HA MET A 27 -17.668 8.141 -4.368 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.427 10.699 -4.151 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.736 10.996 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.885 10.177 -6.660 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.174 9.056 -6.270 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.373 10.858 -6.996 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.428 9.370 -7.239 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.704 9.990 -5.594 1.00 0.00 H new ATOM 381 N CYS A 28 -15.258 7.790 -4.806 1.00 0.00 N ATOM 382 CA CYS A 28 -13.846 7.472 -4.983 1.00 0.00 C ATOM 383 C CYS A 28 -13.056 8.712 -5.391 1.00 0.00 C ATOM 384 O CYS A 28 -13.632 9.722 -5.795 1.00 0.00 O ATOM 385 CB CYS A 28 -13.678 6.376 -6.038 1.00 0.00 C ATOM 386 SG CYS A 28 -12.011 5.642 -6.088 1.00 0.00 S ATOM 0 H CYS A 28 -15.892 7.215 -5.361 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.457 7.113 -4.030 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.405 5.587 -5.846 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.910 6.792 -7.019 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.090 4.368 -5.843 1.00 0.00 H new ATOM 391 N ALA A 29 -11.735 8.627 -5.283 1.00 0.00 N ATOM 392 CA ALA A 29 -10.865 9.740 -5.642 1.00 0.00 C ATOM 393 C ALA A 29 -10.240 9.527 -7.016 1.00 0.00 C ATOM 394 O ALA A 29 -9.975 10.485 -7.744 1.00 0.00 O ATOM 395 CB ALA A 29 -9.782 9.925 -4.590 1.00 0.00 C ATOM 0 H ALA A 29 -11.243 7.798 -4.949 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.472 10.644 -5.684 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.140 10.760 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.244 10.132 -3.625 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.185 9.016 -4.519 1.00 0.00 H new ATOM 401 N HIS A 30 -10.005 8.266 -7.366 1.00 0.00 N ATOM 402 CA HIS A 30 -9.410 7.928 -8.654 1.00 0.00 C ATOM 403 C HIS A 30 -10.469 7.905 -9.752 1.00 0.00 C ATOM 404 O HIS A 30 -10.478 8.761 -10.638 1.00 0.00 O ATOM 405 CB HIS A 30 -8.711 6.571 -8.575 1.00 0.00 C ATOM 406 CG HIS A 30 -7.940 6.222 -9.811 1.00 0.00 C ATOM 407 ND1 HIS A 30 -6.634 6.611 -10.018 1.00 0.00 N ATOM 408 CD2 HIS A 30 -8.299 5.513 -10.908 1.00 0.00 C ATOM 409 CE1 HIS A 30 -6.222 6.159 -11.189 1.00 0.00 C ATOM 410 NE2 HIS A 30 -7.214 5.489 -11.749 1.00 0.00 N ATOM 0 H HIS A 30 -10.218 7.462 -6.776 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.674 8.694 -8.899 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.033 6.570 -7.721 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.457 5.797 -8.391 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.259 5.053 -11.088 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -5.242 6.311 -11.616 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.179 5.029 -12.659 1.00 0.00 H new ATOM 419 N CYS A 31 -11.359 6.921 -9.689 1.00 0.00 N ATOM 420 CA CYS A 31 -12.421 6.785 -10.678 1.00 0.00 C ATOM 421 C CYS A 31 -13.501 7.843 -10.466 1.00 0.00 C ATOM 422 O CYS A 31 -14.143 8.289 -11.416 1.00 0.00 O ATOM 423 CB CYS A 31 -13.040 5.388 -10.605 1.00 0.00 C ATOM 424 SG CYS A 31 -13.712 4.957 -8.968 1.00 0.00 S ATOM 0 H CYS A 31 -11.366 6.205 -8.962 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.983 6.930 -11.666 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.838 5.317 -11.344 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.284 4.653 -10.881 1.00 0.00 H new ATOM 0 HG CYS A 31 -12.807 5.165 -8.059 1.00 0.00 H new ATOM 429 N ASN A 32 -13.694 8.239 -9.212 1.00 0.00 N ATOM 430 CA ASN A 32 -14.696 9.244 -8.874 1.00 0.00 C ATOM 431 C ASN A 32 -16.104 8.665 -8.978 1.00 0.00 C ATOM 432 O ASN A 32 -16.972 9.236 -9.638 1.00 0.00 O ATOM 433 CB ASN A 32 -14.562 10.458 -9.795 1.00 0.00 C ATOM 434 CG ASN A 32 -15.119 11.722 -9.170 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.806 11.673 -8.150 1.00 0.00 O ATOM 436 ND2 ASN A 32 -14.824 12.864 -9.781 1.00 0.00 N ATOM 0 H ASN A 32 -13.170 7.880 -8.414 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.527 9.558 -7.844 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.511 10.610 -10.041 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.083 10.259 -10.732 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.171 13.747 -9.406 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.251 12.858 -10.625 1.00 0.00 H new ATOM 443 N GLN A 33 -16.321 7.530 -8.322 1.00 0.00 N ATOM 444 CA GLN A 33 -17.623 6.874 -8.342 1.00 0.00 C ATOM 445 C GLN A 33 -17.995 6.360 -6.955 1.00 0.00 C ATOM 446 O GLN A 33 -17.180 5.737 -6.274 1.00 0.00 O ATOM 447 CB GLN A 33 -17.621 5.719 -9.344 1.00 0.00 C ATOM 448 CG GLN A 33 -17.208 6.131 -10.747 1.00 0.00 C ATOM 449 CD GLN A 33 -17.444 5.037 -11.770 1.00 0.00 C ATOM 450 OE1 GLN A 33 -18.320 5.151 -12.627 1.00 0.00 O ATOM 451 NE2 GLN A 33 -16.660 3.968 -11.685 1.00 0.00 N ATOM 0 H GLN A 33 -15.613 7.046 -7.770 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.367 7.609 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.944 4.942 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.618 5.280 -9.382 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.764 7.022 -11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.152 6.401 -10.746 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -15.946 3.916 -10.958 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.772 3.200 -12.347 1.00 0.00 H new ATOM 460 N VAL A 34 -19.230 6.625 -6.542 1.00 0.00 N ATOM 461 CA VAL A 34 -19.710 6.188 -5.236 1.00 0.00 C ATOM 462 C VAL A 34 -19.279 4.755 -4.944 1.00 0.00 C ATOM 463 O VAL A 34 -19.307 3.896 -5.825 1.00 0.00 O ATOM 464 CB VAL A 34 -21.244 6.281 -5.142 1.00 0.00 C ATOM 465 CG1 VAL A 34 -21.898 5.440 -6.228 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.720 5.849 -3.763 1.00 0.00 C ATOM 0 H VAL A 34 -19.917 7.140 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.268 6.855 -4.496 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.538 7.320 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -22.982 5.518 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.582 5.800 -7.207 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.600 4.398 -6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.807 5.921 -3.714 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.416 4.818 -3.579 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.279 6.498 -3.006 1.00 0.00 H new ATOM 476 N ILE A 35 -18.883 4.504 -3.701 1.00 0.00 N ATOM 477 CA ILE A 35 -18.448 3.174 -3.292 1.00 0.00 C ATOM 478 C ILE A 35 -19.492 2.503 -2.406 1.00 0.00 C ATOM 479 O ILE A 35 -19.520 2.713 -1.193 1.00 0.00 O ATOM 480 CB ILE A 35 -17.108 3.228 -2.535 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.144 4.192 -3.229 1.00 0.00 C ATOM 482 CG2 ILE A 35 -16.497 1.837 -2.440 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.142 4.826 -2.290 1.00 0.00 C ATOM 0 H ILE A 35 -18.854 5.204 -2.960 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.318 2.590 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.293 3.593 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.607 3.656 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.719 4.978 -3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.550 1.891 -1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.180 1.175 -1.907 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.323 1.447 -3.443 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.492 5.497 -2.851 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.670 5.391 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.541 4.048 -1.820 1.00 0.00 H new ATOM 495 N ARG A 36 -20.348 1.692 -3.020 1.00 0.00 N ATOM 496 CA ARG A 36 -21.394 0.989 -2.287 1.00 0.00 C ATOM 497 C ARG A 36 -20.793 0.090 -1.210 1.00 0.00 C ATOM 498 O ARG A 36 -21.091 0.240 -0.026 1.00 0.00 O ATOM 499 CB ARG A 36 -22.245 0.154 -3.246 1.00 0.00 C ATOM 500 CG ARG A 36 -23.392 0.929 -3.874 1.00 0.00 C ATOM 501 CD ARG A 36 -24.598 0.036 -4.120 1.00 0.00 C ATOM 502 NE ARG A 36 -25.109 -0.547 -2.882 1.00 0.00 N ATOM 503 CZ ARG A 36 -25.956 0.076 -2.071 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.386 1.295 -2.365 1.00 0.00 N ATOM 505 NH2 ARG A 36 -26.375 -0.521 -0.962 1.00 0.00 N ATOM 0 H ARG A 36 -20.338 1.506 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.027 1.733 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.606 -0.238 -4.037 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -22.649 -0.703 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.676 1.754 -3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -23.064 1.367 -4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -25.386 0.616 -4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -24.324 -0.762 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 36 -24.798 -1.484 -2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.066 1.757 -3.216 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.037 1.771 -1.740 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -26.046 -1.459 -0.732 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -27.026 -0.042 -0.339 1.00 0.00 H new ATOM 519 N GLY A 37 -19.945 -0.844 -1.631 1.00 0.00 N ATOM 520 CA GLY A 37 -19.317 -1.753 -0.690 1.00 0.00 C ATOM 521 C GLY A 37 -18.283 -1.064 0.179 1.00 0.00 C ATOM 522 O GLY A 37 -18.263 0.160 0.305 1.00 0.00 O ATOM 0 H GLY A 37 -19.682 -0.987 -2.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.082 -2.199 -0.055 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.843 -2.567 -1.238 1.00 0.00 H new ATOM 526 N PRO A 38 -17.399 -1.861 0.798 1.00 0.00 N ATOM 527 CA PRO A 38 -16.342 -1.343 1.671 1.00 0.00 C ATOM 528 C PRO A 38 -15.267 -0.589 0.895 1.00 0.00 C ATOM 529 O PRO A 38 -14.856 -1.011 -0.186 1.00 0.00 O ATOM 530 CB PRO A 38 -15.756 -2.606 2.307 1.00 0.00 C ATOM 531 CG PRO A 38 -16.052 -3.693 1.332 1.00 0.00 C ATOM 532 CD PRO A 38 -17.364 -3.329 0.692 1.00 0.00 C ATOM 0 HA PRO A 38 -16.727 -0.624 2.395 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.684 -2.505 2.473 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.211 -2.809 3.276 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.262 -3.773 0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.117 -4.659 1.832 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.410 -3.658 -0.346 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.205 -3.790 1.210 1.00 0.00 H new ATOM 540 N PHE A 39 -14.814 0.528 1.454 1.00 0.00 N ATOM 541 CA PHE A 39 -13.787 1.341 0.815 1.00 0.00 C ATOM 542 C PHE A 39 -12.611 1.575 1.759 1.00 0.00 C ATOM 543 O PHE A 39 -12.653 1.188 2.928 1.00 0.00 O ATOM 544 CB PHE A 39 -14.372 2.683 0.369 1.00 0.00 C ATOM 545 CG PHE A 39 -14.676 3.612 1.509 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.668 4.354 2.104 1.00 0.00 C ATOM 547 CD2 PHE A 39 -15.970 3.744 1.987 1.00 0.00 C ATOM 548 CE1 PHE A 39 -13.945 5.211 3.153 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.253 4.599 3.035 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.239 5.332 3.620 1.00 0.00 C ATOM 0 H PHE A 39 -15.142 0.891 2.349 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.425 0.801 -0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.670 3.169 -0.308 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.287 2.502 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.654 4.262 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.767 3.172 1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.151 5.785 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.266 4.694 3.396 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.458 5.999 4.441 1.00 0.00 H new ATOM 560 N LEU A 40 -11.564 2.209 1.245 1.00 0.00 N ATOM 561 CA LEU A 40 -10.375 2.495 2.041 1.00 0.00 C ATOM 562 C LEU A 40 -10.108 3.995 2.101 1.00 0.00 C ATOM 563 O LEU A 40 -10.129 4.682 1.080 1.00 0.00 O ATOM 564 CB LEU A 40 -9.160 1.772 1.457 1.00 0.00 C ATOM 565 CG LEU A 40 -9.449 0.467 0.713 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.390 0.212 -0.348 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.520 -0.698 1.688 1.00 0.00 C ATOM 0 H LEU A 40 -11.513 2.535 0.280 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.551 2.135 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.652 2.452 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.465 1.558 2.269 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.416 0.560 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.612 -0.721 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.387 1.034 -1.064 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.411 0.140 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.726 -1.618 1.141 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.569 -0.793 2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.316 -0.519 2.411 1.00 0.00 H new ATOM 579 N VAL A 41 -9.854 4.498 3.306 1.00 0.00 N ATOM 580 CA VAL A 41 -9.579 5.916 3.500 1.00 0.00 C ATOM 581 C VAL A 41 -8.093 6.160 3.738 1.00 0.00 C ATOM 582 O VAL A 41 -7.538 5.734 4.750 1.00 0.00 O ATOM 583 CB VAL A 41 -10.378 6.486 4.686 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.456 5.469 5.815 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.756 7.787 5.172 1.00 0.00 C ATOM 0 H VAL A 41 -9.833 3.944 4.162 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.886 6.426 2.587 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.393 6.699 4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.024 5.889 6.645 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.950 4.566 5.457 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.449 5.222 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.334 8.176 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.731 7.603 5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.757 8.516 4.362 1.00 0.00 H new ATOM 595 N ALA A 42 -7.454 6.849 2.798 1.00 0.00 N ATOM 596 CA ALA A 42 -6.032 7.152 2.906 1.00 0.00 C ATOM 597 C ALA A 42 -5.731 8.560 2.404 1.00 0.00 C ATOM 598 O ALA A 42 -6.372 9.048 1.472 1.00 0.00 O ATOM 599 CB ALA A 42 -5.214 6.128 2.135 1.00 0.00 C ATOM 0 H ALA A 42 -7.899 7.208 1.953 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.754 7.103 3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.154 6.367 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.398 5.134 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.503 6.148 1.084 1.00 0.00 H new ATOM 605 N LEU A 43 -4.753 9.209 3.026 1.00 0.00 N ATOM 606 CA LEU A 43 -4.367 10.562 2.642 1.00 0.00 C ATOM 607 C LEU A 43 -5.552 11.517 2.748 1.00 0.00 C ATOM 608 O LEU A 43 -5.596 12.546 2.074 1.00 0.00 O ATOM 609 CB LEU A 43 -3.817 10.571 1.215 1.00 0.00 C ATOM 610 CG LEU A 43 -2.364 10.122 1.053 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.502 10.691 2.170 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.274 8.603 1.028 1.00 0.00 C ATOM 0 H LEU A 43 -4.213 8.820 3.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.589 10.900 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.446 9.927 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.911 11.581 0.817 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.990 10.503 0.103 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.472 10.361 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.541 11.780 2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.875 10.340 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.233 8.302 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.666 8.200 1.962 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.858 8.218 0.192 1.00 0.00 H new ATOM 624 N GLY A 44 -6.511 11.169 3.601 1.00 0.00 N ATOM 625 CA GLY A 44 -7.683 12.007 3.781 1.00 0.00 C ATOM 626 C GLY A 44 -8.753 11.738 2.743 1.00 0.00 C ATOM 627 O GLY A 44 -9.893 12.183 2.884 1.00 0.00 O ATOM 0 H GLY A 44 -6.497 10.323 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.096 11.840 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.388 13.055 3.731 1.00 0.00 H new ATOM 631 N LYS A 45 -8.388 11.009 1.694 1.00 0.00 N ATOM 632 CA LYS A 45 -9.325 10.680 0.626 1.00 0.00 C ATOM 633 C LYS A 45 -9.706 9.204 0.671 1.00 0.00 C ATOM 634 O LYS A 45 -9.134 8.429 1.437 1.00 0.00 O ATOM 635 CB LYS A 45 -8.717 11.019 -0.737 1.00 0.00 C ATOM 636 CG LYS A 45 -9.018 12.434 -1.202 1.00 0.00 C ATOM 637 CD LYS A 45 -8.364 12.731 -2.541 1.00 0.00 C ATOM 638 CE LYS A 45 -6.939 13.233 -2.366 1.00 0.00 C ATOM 639 NZ LYS A 45 -6.037 12.172 -1.838 1.00 0.00 N ATOM 0 H LYS A 45 -7.449 10.634 1.560 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.227 11.274 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.637 10.884 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.093 10.314 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.096 12.569 -1.285 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.664 13.146 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.361 11.829 -3.153 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.951 13.478 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.559 13.589 -3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.935 14.084 -1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.059 12.369 -2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.089 12.157 -0.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.332 11.248 -2.212 1.00 0.00 H new ATOM 653 N SER A 46 -10.674 8.822 -0.156 1.00 0.00 N ATOM 654 CA SER A 46 -11.133 7.438 -0.208 1.00 0.00 C ATOM 655 C SER A 46 -10.683 6.766 -1.502 1.00 0.00 C ATOM 656 O SER A 46 -10.342 7.436 -2.476 1.00 0.00 O ATOM 657 CB SER A 46 -12.657 7.379 -0.092 1.00 0.00 C ATOM 658 OG SER A 46 -13.276 7.788 -1.299 1.00 0.00 O ATOM 0 H SER A 46 -11.156 9.451 -0.799 1.00 0.00 H new ATOM 0 HA SER A 46 -10.692 6.902 0.632 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.967 6.363 0.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.988 8.020 0.725 1.00 0.00 H new ATOM 0 HG SER A 46 -14.250 7.740 -1.200 1.00 0.00 H new ATOM 664 N TRP A 47 -10.686 5.438 -1.502 1.00 0.00 N ATOM 665 CA TRP A 47 -10.278 4.673 -2.675 1.00 0.00 C ATOM 666 C TRP A 47 -10.952 3.306 -2.695 1.00 0.00 C ATOM 667 O TRP A 47 -11.412 2.814 -1.663 1.00 0.00 O ATOM 668 CB TRP A 47 -8.758 4.506 -2.698 1.00 0.00 C ATOM 669 CG TRP A 47 -8.020 5.719 -2.219 1.00 0.00 C ATOM 670 CD1 TRP A 47 -7.945 6.179 -0.935 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.254 6.628 -3.017 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.179 7.319 -0.887 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.743 7.615 -2.152 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.949 6.703 -4.379 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.946 8.662 -2.606 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.158 7.743 -4.828 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.663 8.711 -3.944 1.00 0.00 C ATOM 0 H TRP A 47 -10.966 4.869 -0.703 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.589 5.224 -3.563 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.484 3.654 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.440 4.274 -3.715 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.418 5.715 -0.082 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.969 7.857 -0.046 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.325 5.961 -5.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.564 9.409 -1.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.917 7.811 -5.879 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.046 9.511 -4.326 1.00 0.00 H new ATOM 688 N HIS A 48 -11.008 2.695 -3.874 1.00 0.00 N ATOM 689 CA HIS A 48 -11.626 1.383 -4.027 1.00 0.00 C ATOM 690 C HIS A 48 -10.649 0.275 -3.646 1.00 0.00 C ATOM 691 O HIS A 48 -9.464 0.317 -3.978 1.00 0.00 O ATOM 692 CB HIS A 48 -12.104 1.185 -5.466 1.00 0.00 C ATOM 693 CG HIS A 48 -13.474 1.733 -5.723 1.00 0.00 C ATOM 694 ND1 HIS A 48 -13.723 2.743 -6.628 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.674 1.405 -5.188 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.016 3.014 -6.637 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.616 2.215 -5.773 1.00 0.00 N ATOM 0 H HIS A 48 -10.633 3.088 -4.737 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.484 1.333 -3.357 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.397 1.663 -6.144 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.098 0.120 -5.699 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -13.019 3.208 -7.201 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.856 0.647 -4.440 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.500 3.762 -7.247 1.00 0.00 H new ATOM 705 N PRO A 49 -11.156 -0.742 -2.933 1.00 0.00 N ATOM 706 CA PRO A 49 -10.345 -1.881 -2.492 1.00 0.00 C ATOM 707 C PRO A 49 -9.923 -2.776 -3.651 1.00 0.00 C ATOM 708 O PRO A 49 -9.131 -3.702 -3.476 1.00 0.00 O ATOM 709 CB PRO A 49 -11.280 -2.637 -1.545 1.00 0.00 C ATOM 710 CG PRO A 49 -12.652 -2.272 -1.997 1.00 0.00 C ATOM 711 CD PRO A 49 -12.559 -0.859 -2.503 1.00 0.00 C ATOM 0 HA PRO A 49 -9.413 -1.561 -2.027 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.117 -3.713 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.114 -2.345 -0.508 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -12.996 -2.946 -2.782 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.366 -2.347 -1.177 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.248 -0.682 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.802 -0.136 -1.724 1.00 0.00 H new ATOM 719 N GLU A 50 -10.456 -2.494 -4.836 1.00 0.00 N ATOM 720 CA GLU A 50 -10.134 -3.275 -6.024 1.00 0.00 C ATOM 721 C GLU A 50 -9.338 -2.441 -7.024 1.00 0.00 C ATOM 722 O GLU A 50 -8.639 -2.982 -7.880 1.00 0.00 O ATOM 723 CB GLU A 50 -11.413 -3.796 -6.681 1.00 0.00 C ATOM 724 CG GLU A 50 -12.122 -4.868 -5.870 1.00 0.00 C ATOM 725 CD GLU A 50 -11.511 -6.242 -6.059 1.00 0.00 C ATOM 726 OE1 GLU A 50 -10.273 -6.362 -5.942 1.00 0.00 O ATOM 727 OE2 GLU A 50 -12.269 -7.198 -6.324 1.00 0.00 O ATOM 0 H GLU A 50 -11.113 -1.730 -4.998 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.522 -4.123 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.096 -2.961 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.168 -4.199 -7.664 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.087 -4.601 -4.814 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.173 -4.899 -6.157 1.00 0.00 H new ATOM 734 N GLU A 51 -9.452 -1.122 -6.908 1.00 0.00 N ATOM 735 CA GLU A 51 -8.744 -0.214 -7.803 1.00 0.00 C ATOM 736 C GLU A 51 -7.466 0.307 -7.151 1.00 0.00 C ATOM 737 O GLU A 51 -6.485 0.604 -7.833 1.00 0.00 O ATOM 738 CB GLU A 51 -9.646 0.960 -8.192 1.00 0.00 C ATOM 739 CG GLU A 51 -9.335 1.539 -9.562 1.00 0.00 C ATOM 740 CD GLU A 51 -10.228 2.711 -9.917 1.00 0.00 C ATOM 741 OE1 GLU A 51 -10.894 3.246 -9.005 1.00 0.00 O ATOM 742 OE2 GLU A 51 -10.263 3.093 -11.105 1.00 0.00 O ATOM 0 H GLU A 51 -10.027 -0.659 -6.204 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.473 -0.769 -8.701 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.685 0.631 -8.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.547 1.746 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.294 1.860 -9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.448 0.760 -10.316 1.00 0.00 H new ATOM 749 N PHE A 52 -7.486 0.415 -5.827 1.00 0.00 N ATOM 750 CA PHE A 52 -6.331 0.900 -5.082 1.00 0.00 C ATOM 751 C PHE A 52 -5.146 -0.049 -5.236 1.00 0.00 C ATOM 752 O PHE A 52 -5.097 -1.105 -4.607 1.00 0.00 O ATOM 753 CB PHE A 52 -6.682 1.059 -3.601 1.00 0.00 C ATOM 754 CG PHE A 52 -5.613 1.749 -2.802 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.116 2.979 -3.202 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.107 1.169 -1.651 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.132 3.616 -2.470 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.123 1.801 -0.913 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.636 3.026 -1.323 1.00 0.00 C ATOM 0 H PHE A 52 -8.290 0.173 -5.248 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.051 1.872 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.610 1.623 -3.514 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.867 0.074 -3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.502 3.445 -4.096 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.485 0.211 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.751 4.573 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.736 1.337 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.868 3.523 -0.748 1.00 0.00 H new ATOM 769 N ASN A 53 -4.193 0.337 -6.079 1.00 0.00 N ATOM 770 CA ASN A 53 -3.008 -0.480 -6.318 1.00 0.00 C ATOM 771 C ASN A 53 -1.743 0.371 -6.273 1.00 0.00 C ATOM 772 O ASN A 53 -1.809 1.598 -6.181 1.00 0.00 O ATOM 773 CB ASN A 53 -3.114 -1.185 -7.672 1.00 0.00 C ATOM 774 CG ASN A 53 -4.100 -2.337 -7.648 1.00 0.00 C ATOM 775 OD1 ASN A 53 -4.074 -3.172 -6.744 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.976 -2.386 -8.645 1.00 0.00 N ATOM 0 H ASN A 53 -4.218 1.209 -6.607 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.949 -1.230 -5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.419 -0.465 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.132 -1.557 -7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.664 -3.138 -8.683 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.961 -1.672 -9.373 1.00 0.00 H new ATOM 783 N CYS A 54 -0.591 -0.287 -6.339 1.00 0.00 N ATOM 784 CA CYS A 54 0.691 0.407 -6.307 1.00 0.00 C ATOM 785 C CYS A 54 0.924 1.180 -7.602 1.00 0.00 C ATOM 786 O CYS A 54 0.088 1.166 -8.504 1.00 0.00 O ATOM 787 CB CYS A 54 1.829 -0.590 -6.083 1.00 0.00 C ATOM 788 SG CYS A 54 3.271 0.110 -5.217 1.00 0.00 S ATOM 0 H CYS A 54 -0.519 -1.302 -6.415 1.00 0.00 H new ATOM 0 HA CYS A 54 0.671 1.117 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.449 -1.436 -5.509 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.152 -0.979 -7.049 1.00 0.00 H new ATOM 0 HG CYS A 54 3.821 -0.807 -4.478 1.00 0.00 H new ATOM 793 N ALA A 55 2.067 1.853 -7.685 1.00 0.00 N ATOM 794 CA ALA A 55 2.411 2.630 -8.869 1.00 0.00 C ATOM 795 C ALA A 55 3.475 1.921 -9.700 1.00 0.00 C ATOM 796 O ALA A 55 3.585 2.142 -10.906 1.00 0.00 O ATOM 797 CB ALA A 55 2.890 4.018 -8.469 1.00 0.00 C ATOM 0 H ALA A 55 2.770 1.876 -6.946 1.00 0.00 H new ATOM 0 HA ALA A 55 1.515 2.729 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.143 4.587 -9.363 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.099 4.533 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.771 3.930 -7.833 1.00 0.00 H new ATOM 803 N HIS A 56 4.258 1.068 -9.047 1.00 0.00 N ATOM 804 CA HIS A 56 5.314 0.325 -9.727 1.00 0.00 C ATOM 805 C HIS A 56 4.908 -1.130 -9.935 1.00 0.00 C ATOM 806 O HIS A 56 4.805 -1.601 -11.068 1.00 0.00 O ATOM 807 CB HIS A 56 6.613 0.395 -8.923 1.00 0.00 C ATOM 808 CG HIS A 56 7.783 -0.227 -9.622 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.668 0.494 -10.396 1.00 0.00 N ATOM 810 CD2 HIS A 56 8.213 -1.510 -9.658 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.590 -0.318 -10.880 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.337 -1.540 -10.447 1.00 0.00 N ATOM 0 H HIS A 56 4.182 0.874 -8.049 1.00 0.00 H new ATOM 0 HA HIS A 56 5.474 0.781 -10.704 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.842 1.439 -8.707 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.465 -0.103 -7.965 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.757 -2.353 -9.159 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.411 -0.032 -11.521 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.887 -2.371 -10.663 1.00 0.00 H new ATOM 821 N CYS A 57 4.679 -1.839 -8.834 1.00 0.00 N ATOM 822 CA CYS A 57 4.285 -3.241 -8.895 1.00 0.00 C ATOM 823 C CYS A 57 2.816 -3.377 -9.285 1.00 0.00 C ATOM 824 O CYS A 57 2.366 -4.450 -9.688 1.00 0.00 O ATOM 825 CB CYS A 57 4.531 -3.920 -7.546 1.00 0.00 C ATOM 826 SG CYS A 57 3.500 -3.276 -6.190 1.00 0.00 S ATOM 0 H CYS A 57 4.760 -1.465 -7.889 1.00 0.00 H new ATOM 0 HA CYS A 57 4.892 -3.730 -9.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.348 -4.989 -7.651 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.581 -3.801 -7.278 1.00 0.00 H new ATOM 0 HG CYS A 57 3.778 -2.022 -5.991 1.00 0.00 H new ATOM 831 N LYS A 58 2.073 -2.282 -9.162 1.00 0.00 N ATOM 832 CA LYS A 58 0.655 -2.277 -9.502 1.00 0.00 C ATOM 833 C LYS A 58 -0.065 -3.452 -8.850 1.00 0.00 C ATOM 834 O LYS A 58 -0.852 -4.145 -9.495 1.00 0.00 O ATOM 835 CB LYS A 58 0.474 -2.333 -11.021 1.00 0.00 C ATOM 836 CG LYS A 58 1.149 -1.187 -11.756 1.00 0.00 C ATOM 837 CD LYS A 58 0.257 0.041 -11.812 1.00 0.00 C ATOM 838 CE LYS A 58 -0.833 -0.108 -12.863 1.00 0.00 C ATOM 839 NZ LYS A 58 -0.376 0.346 -14.205 1.00 0.00 N ATOM 0 H LYS A 58 2.430 -1.386 -8.829 1.00 0.00 H new ATOM 0 HA LYS A 58 0.219 -1.352 -9.124 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.874 -3.277 -11.392 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.591 -2.325 -11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.085 -0.935 -11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.401 -1.501 -12.769 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.198 0.206 -10.835 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.861 0.921 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.143 -1.151 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.708 0.469 -12.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.147 0.228 -14.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.104 1.349 -14.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.443 -0.221 -14.503 1.00 0.00 H new ATOM 853 N ASN A 59 0.207 -3.670 -7.568 1.00 0.00 N ATOM 854 CA ASN A 59 -0.416 -4.762 -6.829 1.00 0.00 C ATOM 855 C ASN A 59 -1.489 -4.234 -5.881 1.00 0.00 C ATOM 856 O ASN A 59 -1.705 -3.026 -5.780 1.00 0.00 O ATOM 857 CB ASN A 59 0.639 -5.539 -6.039 1.00 0.00 C ATOM 858 CG ASN A 59 1.671 -6.191 -6.940 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.512 -6.226 -8.160 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.735 -6.712 -6.340 1.00 0.00 N ATOM 0 H ASN A 59 0.855 -3.105 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.888 -5.431 -7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.140 -4.864 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.148 -6.305 -5.439 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.462 -7.164 -6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.825 -6.660 -5.325 1.00 0.00 H new ATOM 867 N THR A 60 -2.160 -5.148 -5.188 1.00 0.00 N ATOM 868 CA THR A 60 -3.211 -4.776 -4.249 1.00 0.00 C ATOM 869 C THR A 60 -2.625 -4.173 -2.978 1.00 0.00 C ATOM 870 O THR A 60 -1.911 -4.844 -2.233 1.00 0.00 O ATOM 871 CB THR A 60 -4.084 -5.988 -3.873 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.969 -5.642 -2.802 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.219 -7.170 -3.460 1.00 0.00 C ATOM 0 H THR A 60 -1.994 -6.152 -5.259 1.00 0.00 H new ATOM 0 HA THR A 60 -3.831 -4.032 -4.749 1.00 0.00 H new ATOM 0 HB THR A 60 -4.668 -6.272 -4.748 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.521 -6.418 -2.570 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.857 -8.014 -3.199 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.567 -7.450 -4.287 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.613 -6.893 -2.598 1.00 0.00 H new ATOM 881 N MET A 61 -2.930 -2.902 -2.735 1.00 0.00 N ATOM 882 CA MET A 61 -2.434 -2.209 -1.552 1.00 0.00 C ATOM 883 C MET A 61 -3.550 -2.008 -0.532 1.00 0.00 C ATOM 884 O MET A 61 -3.678 -0.936 0.058 1.00 0.00 O ATOM 885 CB MET A 61 -1.833 -0.857 -1.941 1.00 0.00 C ATOM 886 CG MET A 61 -0.609 -0.971 -2.836 1.00 0.00 C ATOM 887 SD MET A 61 0.497 0.444 -2.683 1.00 0.00 S ATOM 888 CE MET A 61 -0.535 1.753 -3.337 1.00 0.00 C ATOM 0 H MET A 61 -3.518 -2.331 -3.342 1.00 0.00 H new ATOM 0 HA MET A 61 -1.658 -2.826 -1.099 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.592 -0.264 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.561 -0.315 -1.035 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.064 -1.882 -2.586 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.930 -1.066 -3.873 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.012 2.257 -4.150 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.466 1.329 -3.712 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.756 2.471 -2.547 1.00 0.00 H new ATOM 898 N ALA A 62 -4.355 -3.046 -0.330 1.00 0.00 N ATOM 899 CA ALA A 62 -5.459 -2.983 0.620 1.00 0.00 C ATOM 900 C ALA A 62 -5.002 -3.380 2.020 1.00 0.00 C ATOM 901 O ALA A 62 -5.303 -2.697 2.999 1.00 0.00 O ATOM 902 CB ALA A 62 -6.601 -3.878 0.162 1.00 0.00 C ATOM 0 H ALA A 62 -4.263 -3.941 -0.811 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.813 -1.953 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.419 -3.821 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.953 -3.547 -0.815 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.251 -4.908 0.092 1.00 0.00 H new ATOM 908 N TYR A 63 -4.275 -4.488 2.107 1.00 0.00 N ATOM 909 CA TYR A 63 -3.779 -4.978 3.388 1.00 0.00 C ATOM 910 C TYR A 63 -2.396 -4.409 3.690 1.00 0.00 C ATOM 911 O TYR A 63 -2.161 -3.858 4.766 1.00 0.00 O ATOM 912 CB TYR A 63 -3.725 -6.507 3.386 1.00 0.00 C ATOM 913 CG TYR A 63 -5.042 -7.159 3.032 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.494 -7.189 1.718 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.834 -7.747 4.010 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.697 -7.783 1.390 1.00 0.00 C ATOM 917 CE2 TYR A 63 -7.038 -8.345 3.691 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.465 -8.360 2.380 1.00 0.00 C ATOM 919 OH TYR A 63 -8.663 -8.954 2.057 1.00 0.00 O ATOM 0 H TYR A 63 -4.016 -5.064 1.306 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.466 -4.646 4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.965 -6.834 2.677 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.411 -6.852 4.371 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.894 -6.740 0.940 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.503 -7.737 5.038 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.035 -7.796 0.364 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.641 -8.798 4.464 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.079 -9.313 2.868 1.00 0.00 H new ATOM 929 N ILE A 64 -1.485 -4.547 2.733 1.00 0.00 N ATOM 930 CA ILE A 64 -0.126 -4.045 2.895 1.00 0.00 C ATOM 931 C ILE A 64 -0.118 -2.534 3.098 1.00 0.00 C ATOM 932 O ILE A 64 -1.155 -1.879 3.002 1.00 0.00 O ATOM 933 CB ILE A 64 0.752 -4.394 1.679 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.108 -3.873 0.392 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.971 -5.897 1.597 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.089 -3.693 -0.745 1.00 0.00 C ATOM 0 H ILE A 64 -1.663 -5.002 1.838 1.00 0.00 H new ATOM 0 HA ILE A 64 0.286 -4.530 3.780 1.00 0.00 H new ATOM 0 HB ILE A 64 1.722 -3.912 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.674 -4.566 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.376 -2.918 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.593 -6.127 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.468 -6.242 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.009 -6.400 1.496 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.563 -3.321 -1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.857 -2.977 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.555 -4.650 -0.979 1.00 0.00 H new ATOM 948 N GLY A 65 1.061 -1.986 3.376 1.00 0.00 N ATOM 949 CA GLY A 65 1.183 -0.555 3.585 1.00 0.00 C ATOM 950 C GLY A 65 1.525 0.191 2.311 1.00 0.00 C ATOM 951 O GLY A 65 1.538 -0.392 1.226 1.00 0.00 O ATOM 0 H GLY A 65 1.934 -2.507 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.247 -0.169 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.954 -0.365 4.332 1.00 0.00 H new ATOM 955 N PHE A 66 1.801 1.484 2.440 1.00 0.00 N ATOM 956 CA PHE A 66 2.142 2.312 1.288 1.00 0.00 C ATOM 957 C PHE A 66 2.761 3.633 1.733 1.00 0.00 C ATOM 958 O PHE A 66 2.470 4.135 2.819 1.00 0.00 O ATOM 959 CB PHE A 66 0.897 2.579 0.439 1.00 0.00 C ATOM 960 CG PHE A 66 -0.225 3.220 1.205 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.193 4.572 1.505 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.312 2.470 1.625 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.223 5.164 2.211 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.346 3.057 2.330 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.302 4.406 2.623 1.00 0.00 C ATOM 0 H PHE A 66 1.795 1.982 3.330 1.00 0.00 H new ATOM 0 HA PHE A 66 2.874 1.772 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.169 3.222 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.546 1.637 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.647 5.170 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.352 1.415 1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.184 6.219 2.441 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.188 2.461 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.109 4.867 3.173 1.00 0.00 H new ATOM 975 N VAL A 67 3.620 4.192 0.885 1.00 0.00 N ATOM 976 CA VAL A 67 4.281 5.456 1.189 1.00 0.00 C ATOM 977 C VAL A 67 4.025 6.487 0.096 1.00 0.00 C ATOM 978 O VAL A 67 4.265 6.228 -1.083 1.00 0.00 O ATOM 979 CB VAL A 67 5.801 5.267 1.356 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.492 6.614 1.505 1.00 0.00 C ATOM 981 CG2 VAL A 67 6.098 4.371 2.549 1.00 0.00 C ATOM 0 H VAL A 67 3.874 3.789 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 67 3.861 5.816 2.128 1.00 0.00 H new ATOM 0 HB VAL A 67 6.191 4.782 0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.565 6.462 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.306 7.219 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.101 7.128 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.176 4.248 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.696 4.826 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.635 3.396 2.396 1.00 0.00 H new ATOM 991 N GLU A 68 3.537 7.657 0.496 1.00 0.00 N ATOM 992 CA GLU A 68 3.248 8.728 -0.450 1.00 0.00 C ATOM 993 C GLU A 68 4.492 9.572 -0.713 1.00 0.00 C ATOM 994 O GLU A 68 5.121 10.074 0.217 1.00 0.00 O ATOM 995 CB GLU A 68 2.119 9.615 0.078 1.00 0.00 C ATOM 996 CG GLU A 68 1.964 10.920 -0.684 1.00 0.00 C ATOM 997 CD GLU A 68 0.850 11.789 -0.132 1.00 0.00 C ATOM 998 OE1 GLU A 68 1.007 12.311 0.992 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.179 11.945 -0.822 1.00 0.00 O ATOM 0 H GLU A 68 3.334 7.887 1.469 1.00 0.00 H new ATOM 0 HA GLU A 68 2.933 8.273 -1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.181 9.062 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.304 9.837 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.903 11.472 -0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.764 10.702 -1.733 1.00 0.00 H new ATOM 1006 N GLU A 69 4.840 9.722 -1.988 1.00 0.00 N ATOM 1007 CA GLU A 69 6.009 10.503 -2.373 1.00 0.00 C ATOM 1008 C GLU A 69 5.783 11.196 -3.713 1.00 0.00 C ATOM 1009 O GLU A 69 5.589 10.542 -4.738 1.00 0.00 O ATOM 1010 CB GLU A 69 7.246 9.607 -2.452 1.00 0.00 C ATOM 1011 CG GLU A 69 8.535 10.369 -2.707 1.00 0.00 C ATOM 1012 CD GLU A 69 9.076 11.036 -1.456 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.268 11.360 -0.561 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.306 11.233 -1.373 1.00 0.00 O ATOM 0 H GLU A 69 4.329 9.313 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 69 6.171 11.266 -1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.341 9.051 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.104 8.875 -3.247 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.285 9.684 -3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.360 11.126 -3.471 1.00 0.00 H new ATOM 1021 N LYS A 70 5.808 12.524 -3.698 1.00 0.00 N ATOM 1022 CA LYS A 70 5.607 13.308 -4.911 1.00 0.00 C ATOM 1023 C LYS A 70 4.394 12.807 -5.688 1.00 0.00 C ATOM 1024 O LYS A 70 4.468 12.578 -6.894 1.00 0.00 O ATOM 1025 CB LYS A 70 6.854 13.245 -5.796 1.00 0.00 C ATOM 1026 CG LYS A 70 8.012 14.078 -5.275 1.00 0.00 C ATOM 1027 CD LYS A 70 8.012 15.473 -5.877 1.00 0.00 C ATOM 1028 CE LYS A 70 7.275 16.463 -4.989 1.00 0.00 C ATOM 1029 NZ LYS A 70 7.240 17.826 -5.589 1.00 0.00 N ATOM 0 H LYS A 70 5.966 13.081 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 70 5.428 14.343 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.175 12.207 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.595 13.585 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.950 14.150 -4.189 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.953 13.580 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.039 15.808 -6.022 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.543 15.446 -6.861 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.256 16.113 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.760 16.508 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.729 18.472 -4.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.212 18.171 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.755 17.788 -6.508 1.00 0.00 H new ATOM 1043 N GLY A 71 3.276 12.639 -4.987 1.00 0.00 N ATOM 1044 CA GLY A 71 2.063 12.167 -5.629 1.00 0.00 C ATOM 1045 C GLY A 71 2.199 10.753 -6.158 1.00 0.00 C ATOM 1046 O GLY A 71 1.880 10.483 -7.315 1.00 0.00 O ATOM 0 H GLY A 71 3.189 12.821 -3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.239 12.207 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.807 12.836 -6.451 1.00 0.00 H new ATOM 1050 N ALA A 72 2.675 9.849 -5.309 1.00 0.00 N ATOM 1051 CA ALA A 72 2.852 8.455 -5.697 1.00 0.00 C ATOM 1052 C ALA A 72 2.934 7.550 -4.473 1.00 0.00 C ATOM 1053 O ALA A 72 3.709 7.805 -3.550 1.00 0.00 O ATOM 1054 CB ALA A 72 4.100 8.301 -6.554 1.00 0.00 C ATOM 0 H ALA A 72 2.945 10.057 -4.348 1.00 0.00 H new ATOM 0 HA ALA A 72 1.983 8.153 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.220 7.255 -6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.002 8.911 -7.452 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.973 8.626 -5.988 1.00 0.00 H new ATOM 1060 N LEU A 73 2.129 6.492 -4.470 1.00 0.00 N ATOM 1061 CA LEU A 73 2.110 5.549 -3.358 1.00 0.00 C ATOM 1062 C LEU A 73 2.971 4.328 -3.665 1.00 0.00 C ATOM 1063 O LEU A 73 2.925 3.784 -4.769 1.00 0.00 O ATOM 1064 CB LEU A 73 0.675 5.112 -3.059 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.263 6.202 -2.538 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.657 5.639 -2.303 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.289 6.814 -1.259 1.00 0.00 C ATOM 0 H LEU A 73 1.482 6.267 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 73 2.521 6.050 -2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.246 4.696 -3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.707 4.307 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.332 6.986 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.311 6.429 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.054 5.249 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.606 4.836 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.391 7.588 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.388 6.040 -0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.266 7.254 -1.458 1.00 0.00 H new ATOM 1079 N TYR A 74 3.754 3.901 -2.681 1.00 0.00 N ATOM 1080 CA TYR A 74 4.626 2.744 -2.845 1.00 0.00 C ATOM 1081 C TYR A 74 4.523 1.808 -1.645 1.00 0.00 C ATOM 1082 O TYR A 74 4.749 2.214 -0.504 1.00 0.00 O ATOM 1083 CB TYR A 74 6.076 3.194 -3.031 1.00 0.00 C ATOM 1084 CG TYR A 74 6.291 4.057 -4.253 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.434 3.489 -5.513 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.350 5.442 -4.149 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.631 4.273 -6.633 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.545 6.234 -5.264 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.685 5.645 -6.503 1.00 0.00 C ATOM 1090 OH TYR A 74 6.880 6.431 -7.616 1.00 0.00 O ATOM 0 H TYR A 74 3.803 4.339 -1.761 1.00 0.00 H new ATOM 0 HA TYR A 74 4.303 2.202 -3.734 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.392 3.747 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.714 2.313 -3.102 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.390 2.415 -5.619 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.242 5.907 -3.180 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.742 3.814 -7.605 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.588 7.309 -5.166 1.00 0.00 H new ATOM 0 HH TYR A 74 6.892 7.375 -7.352 1.00 0.00 H new ATOM 1100 N CYS A 75 4.178 0.552 -1.910 1.00 0.00 N ATOM 1101 CA CYS A 75 4.044 -0.444 -0.854 1.00 0.00 C ATOM 1102 C CYS A 75 5.372 -0.654 -0.132 1.00 0.00 C ATOM 1103 O CYS A 75 6.437 -0.601 -0.745 1.00 0.00 O ATOM 1104 CB CYS A 75 3.550 -1.770 -1.434 1.00 0.00 C ATOM 1105 SG CYS A 75 4.711 -2.548 -2.603 1.00 0.00 S ATOM 0 H CYS A 75 3.986 0.200 -2.848 1.00 0.00 H new ATOM 0 HA CYS A 75 3.313 -0.077 -0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.356 -2.463 -0.615 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.600 -1.601 -1.940 1.00 0.00 H new ATOM 0 HG CYS A 75 4.125 -2.714 -3.751 1.00 0.00 H new ATOM 1110 N GLU A 76 5.298 -0.893 1.174 1.00 0.00 N ATOM 1111 CA GLU A 76 6.495 -1.111 1.978 1.00 0.00 C ATOM 1112 C GLU A 76 7.553 -1.872 1.184 1.00 0.00 C ATOM 1113 O GLU A 76 8.743 -1.564 1.260 1.00 0.00 O ATOM 1114 CB GLU A 76 6.146 -1.883 3.253 1.00 0.00 C ATOM 1115 CG GLU A 76 5.546 -3.254 2.989 1.00 0.00 C ATOM 1116 CD GLU A 76 5.500 -4.119 4.234 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.579 -4.529 4.711 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.386 -4.386 4.730 1.00 0.00 O ATOM 0 H GLU A 76 4.423 -0.940 1.697 1.00 0.00 H new ATOM 0 HA GLU A 76 6.901 -0.137 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.047 -2.000 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.443 -1.295 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.536 -3.135 2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.130 -3.760 2.220 1.00 0.00 H new ATOM 1125 N LEU A 77 7.111 -2.867 0.423 1.00 0.00 N ATOM 1126 CA LEU A 77 8.020 -3.673 -0.386 1.00 0.00 C ATOM 1127 C LEU A 77 8.826 -2.795 -1.338 1.00 0.00 C ATOM 1128 O LEU A 77 10.053 -2.737 -1.257 1.00 0.00 O ATOM 1129 CB LEU A 77 7.235 -4.719 -1.179 1.00 0.00 C ATOM 1130 CG LEU A 77 6.400 -5.699 -0.355 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.525 -6.550 -1.263 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.299 -6.580 0.500 1.00 0.00 C ATOM 0 H LEU A 77 6.130 -3.135 0.349 1.00 0.00 H new ATOM 0 HA LEU A 77 8.713 -4.180 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.571 -4.199 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.939 -5.291 -1.783 1.00 0.00 H new ATOM 0 HG LEU A 77 5.752 -5.125 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.938 -7.242 -0.659 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.854 -5.905 -1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.155 -7.114 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.687 -7.271 1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.973 -7.145 -0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.882 -5.956 1.178 1.00 0.00 H new ATOM 1144 N CYS A 78 8.128 -2.111 -2.238 1.00 0.00 N ATOM 1145 CA CYS A 78 8.777 -1.235 -3.205 1.00 0.00 C ATOM 1146 C CYS A 78 9.682 -0.226 -2.503 1.00 0.00 C ATOM 1147 O CYS A 78 10.824 -0.012 -2.911 1.00 0.00 O ATOM 1148 CB CYS A 78 7.729 -0.499 -4.043 1.00 0.00 C ATOM 1149 SG CYS A 78 6.890 -1.549 -5.273 1.00 0.00 S ATOM 0 H CYS A 78 7.112 -2.147 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 78 9.390 -1.852 -3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.981 -0.071 -3.376 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.210 0.333 -4.558 1.00 0.00 H new ATOM 0 HG CYS A 78 5.911 -2.187 -4.703 1.00 0.00 H new ATOM 1154 N TYR A 79 9.164 0.390 -1.447 1.00 0.00 N ATOM 1155 CA TYR A 79 9.923 1.377 -0.689 1.00 0.00 C ATOM 1156 C TYR A 79 11.190 0.759 -0.105 1.00 0.00 C ATOM 1157 O TYR A 79 12.302 1.114 -0.493 1.00 0.00 O ATOM 1158 CB TYR A 79 9.063 1.961 0.433 1.00 0.00 C ATOM 1159 CG TYR A 79 9.768 3.024 1.246 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.846 2.702 2.061 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.357 4.350 1.197 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.493 3.669 2.806 1.00 0.00 C ATOM 1163 CE2 TYR A 79 9.998 5.324 1.938 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.065 4.979 2.741 1.00 0.00 C ATOM 1165 OH TYR A 79 11.708 5.945 3.480 1.00 0.00 O ATOM 0 H TYR A 79 8.221 0.223 -1.096 1.00 0.00 H new ATOM 0 HA TYR A 79 10.212 2.177 -1.370 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.157 2.387 0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.751 1.155 1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.184 1.678 2.113 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.522 4.624 0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.329 3.401 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.665 6.350 1.889 1.00 0.00 H new ATOM 0 HH TYR A 79 11.285 6.814 3.321 1.00 0.00 H new ATOM 1175 N GLU A 80 11.011 -0.169 0.830 1.00 0.00 N ATOM 1176 CA GLU A 80 12.139 -0.837 1.469 1.00 0.00 C ATOM 1177 C GLU A 80 13.106 -1.388 0.425 1.00 0.00 C ATOM 1178 O GLU A 80 14.267 -1.670 0.725 1.00 0.00 O ATOM 1179 CB GLU A 80 11.645 -1.969 2.371 1.00 0.00 C ATOM 1180 CG GLU A 80 12.751 -2.635 3.173 1.00 0.00 C ATOM 1181 CD GLU A 80 13.100 -1.867 4.434 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.219 -1.734 5.309 1.00 0.00 O ATOM 1183 OE2 GLU A 80 14.253 -1.401 4.546 1.00 0.00 O ATOM 0 H GLU A 80 10.096 -0.475 1.162 1.00 0.00 H new ATOM 0 HA GLU A 80 12.667 -0.103 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.897 -1.574 3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.149 -2.721 1.757 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.443 -3.646 3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.641 -2.728 2.550 1.00 0.00 H new ATOM 1190 N LYS A 81 12.620 -1.540 -0.802 1.00 0.00 N ATOM 1191 CA LYS A 81 13.439 -2.056 -1.892 1.00 0.00 C ATOM 1192 C LYS A 81 14.355 -0.970 -2.446 1.00 0.00 C ATOM 1193 O LYS A 81 15.571 -1.147 -2.522 1.00 0.00 O ATOM 1194 CB LYS A 81 12.550 -2.608 -3.009 1.00 0.00 C ATOM 1195 CG LYS A 81 12.224 -4.083 -2.854 1.00 0.00 C ATOM 1196 CD LYS A 81 11.701 -4.677 -4.151 1.00 0.00 C ATOM 1197 CE LYS A 81 11.330 -6.143 -3.983 1.00 0.00 C ATOM 1198 NZ LYS A 81 9.906 -6.312 -3.582 1.00 0.00 N ATOM 0 H LYS A 81 11.662 -1.313 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 81 14.058 -2.862 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.620 -2.040 -3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.046 -2.453 -3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.117 -4.623 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.480 -4.212 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.828 -4.115 -4.484 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.458 -4.579 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.509 -6.673 -4.919 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.975 -6.597 -3.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.631 -7.309 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.789 -6.026 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.302 -5.719 -4.186 1.00 0.00 H new ATOM 1212 N PHE A 82 13.763 0.156 -2.833 1.00 0.00 N ATOM 1213 CA PHE A 82 14.526 1.272 -3.380 1.00 0.00 C ATOM 1214 C PHE A 82 14.832 2.304 -2.298 1.00 0.00 C ATOM 1215 O PHE A 82 15.993 2.557 -1.976 1.00 0.00 O ATOM 1216 CB PHE A 82 13.756 1.931 -4.526 1.00 0.00 C ATOM 1217 CG PHE A 82 13.182 0.947 -5.505 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.994 0.323 -6.438 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.829 0.647 -5.492 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.468 -0.582 -7.340 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.297 -0.258 -6.392 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.118 -0.874 -7.317 1.00 0.00 C ATOM 0 H PHE A 82 12.758 0.319 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 82 15.469 0.882 -3.762 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.947 2.533 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.421 2.613 -5.056 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.050 0.546 -6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.183 1.125 -4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.112 -1.061 -8.063 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.241 -0.483 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.705 -1.582 -8.020 1.00 0.00 H new ATOM 1232 N PHE A 83 13.781 2.897 -1.741 1.00 0.00 N ATOM 1233 CA PHE A 83 13.936 3.903 -0.697 1.00 0.00 C ATOM 1234 C PHE A 83 14.991 3.475 0.319 1.00 0.00 C ATOM 1235 O PHE A 83 15.573 4.307 1.013 1.00 0.00 O ATOM 1236 CB PHE A 83 12.600 4.145 0.010 1.00 0.00 C ATOM 1237 CG PHE A 83 11.740 5.171 -0.671 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.203 4.924 -1.924 1.00 0.00 C ATOM 1239 CD2 PHE A 83 11.469 6.384 -0.057 1.00 0.00 C ATOM 1240 CE1 PHE A 83 10.410 5.866 -2.552 1.00 0.00 C ATOM 1241 CE2 PHE A 83 10.677 7.329 -0.681 1.00 0.00 C ATOM 1242 CZ PHE A 83 10.148 7.071 -1.930 1.00 0.00 C ATOM 0 H PHE A 83 12.813 2.698 -1.995 1.00 0.00 H new ATOM 0 HA PHE A 83 14.264 4.830 -1.167 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.053 3.204 0.068 1.00 0.00 H new ATOM 0 HB3 PHE A 83 12.792 4.465 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.406 3.984 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 83 11.881 6.593 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.996 5.660 -3.528 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.472 8.270 -0.192 1.00 0.00 H new ATOM 0 HZ PHE A 83 9.531 7.810 -2.419 1.00 0.00 H new ATOM 1252 N ALA A 84 15.231 2.170 0.400 1.00 0.00 N ATOM 1253 CA ALA A 84 16.216 1.630 1.329 1.00 0.00 C ATOM 1254 C ALA A 84 17.351 0.937 0.584 1.00 0.00 C ATOM 1255 O ALA A 84 17.334 -0.280 0.401 1.00 0.00 O ATOM 1256 CB ALA A 84 15.552 0.665 2.300 1.00 0.00 C ATOM 0 H ALA A 84 14.756 1.467 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 84 16.641 2.460 1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.299 0.269 2.988 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.781 1.190 2.864 1.00 0.00 H new ATOM 0 HB3 ALA A 84 15.099 -0.156 1.744 1.00 0.00 H new