USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 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 3:sc= 0.48 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.0482 K(o=-5.4,f=-6) USER MOD Set 1.3: A 57 CYS SG : rot -60:sc= -3.57 USER MOD Set 1.4: A 59 ASN : amide:sc= -2.9 K(o=-5.4,f=-7.5!) USER MOD Set 1.5: A 75 CYS SG : rot -122:sc= -0.0868 USER MOD Set 1.6: A 78 CYS SG : rot 80:sc= 0.758 USER MOD Set 2.1: A 28 CYS SG : rot 140:sc= 0.92 USER MOD Set 2.2: A 31 CYS SG : rot -59:sc= -0.263 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -1.3! C(o=-0.64!,f=-5.5!) USER MOD Single : A 14 GLN : amide:sc= -0.0582 K(o=-0.058,f=-0.92) USER MOD Single : A 18 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.038) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 57:sc= 0.324 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.4) USER MOD Single : A 33 GLN : amide:sc= -0.167 K(o=-0.17,f=-4!) USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 1.23 (180deg=0.806) USER MOD Single : A 46 SER OG : rot -136:sc= -0.712 USER MOD Single : A 53 ASN : amide:sc= -2.11 K(o=-2.1,f=-2.8) USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= 0.199 (180deg=0.12) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -121:sc= -2.48 (180deg=-10.1!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.425 5.979 7.014 1.00 0.00 N ATOM 122 CA LEU A 12 6.364 6.641 6.264 1.00 0.00 C ATOM 123 C LEU A 12 5.225 5.673 5.961 1.00 0.00 C ATOM 124 O LEU A 12 4.056 6.058 5.942 1.00 0.00 O ATOM 125 CB LEU A 12 6.917 7.219 4.960 1.00 0.00 C ATOM 126 CG LEU A 12 8.026 8.261 5.105 1.00 0.00 C ATOM 127 CD1 LEU A 12 9.387 7.586 5.184 1.00 0.00 C ATOM 128 CD2 LEU A 12 7.985 9.248 3.948 1.00 0.00 C ATOM 0 HA LEU A 12 5.973 7.453 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.296 6.397 4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.093 7.670 4.407 1.00 0.00 H new ATOM 0 HG LEU A 12 7.862 8.811 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 12 10.164 8.344 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 12 9.413 6.920 6.046 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.561 7.010 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.781 9.982 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.123 8.713 3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.021 9.757 3.938 1.00 0.00 H new ATOM 140 N VAL A 13 5.574 4.411 5.727 1.00 0.00 N ATOM 141 CA VAL A 13 4.581 3.386 5.429 1.00 0.00 C ATOM 142 C VAL A 13 3.285 3.638 6.192 1.00 0.00 C ATOM 143 O VAL A 13 3.266 3.626 7.422 1.00 0.00 O ATOM 144 CB VAL A 13 5.104 1.980 5.778 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.007 0.942 5.596 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.319 1.638 4.928 1.00 0.00 C ATOM 0 H VAL A 13 6.537 4.075 5.738 1.00 0.00 H new ATOM 0 HA VAL A 13 4.385 3.437 4.358 1.00 0.00 H new ATOM 0 HB VAL A 13 5.407 1.973 6.825 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.395 -0.045 5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.169 1.180 6.251 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.670 0.947 4.559 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.676 0.641 5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.044 1.662 3.874 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.109 2.366 5.113 1.00 0.00 H new ATOM 156 N GLN A 14 2.204 3.865 5.452 1.00 0.00 N ATOM 157 CA GLN A 14 0.904 4.120 6.059 1.00 0.00 C ATOM 158 C GLN A 14 -0.057 2.965 5.794 1.00 0.00 C ATOM 159 O GLN A 14 0.276 2.020 5.079 1.00 0.00 O ATOM 160 CB GLN A 14 0.313 5.424 5.521 1.00 0.00 C ATOM 161 CG GLN A 14 1.062 6.665 5.978 1.00 0.00 C ATOM 162 CD GLN A 14 0.215 7.920 5.901 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.984 7.892 6.183 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.834 9.030 5.518 1.00 0.00 N ATOM 0 H GLN A 14 2.203 3.877 4.432 1.00 0.00 H new ATOM 0 HA GLN A 14 1.046 4.211 7.136 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.312 5.391 4.432 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.727 5.500 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.401 6.523 7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.953 6.794 5.363 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.829 9.008 5.294 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.315 9.905 5.448 1.00 0.00 H new ATOM 173 N ARG A 15 -1.249 3.048 6.374 1.00 0.00 N ATOM 174 CA ARG A 15 -2.258 2.010 6.201 1.00 0.00 C ATOM 175 C ARG A 15 -3.658 2.614 6.151 1.00 0.00 C ATOM 176 O ARG A 15 -4.078 3.310 7.074 1.00 0.00 O ATOM 177 CB ARG A 15 -2.171 0.991 7.339 1.00 0.00 C ATOM 178 CG ARG A 15 -0.888 0.175 7.329 1.00 0.00 C ATOM 179 CD ARG A 15 -0.752 -0.664 8.590 1.00 0.00 C ATOM 180 NE ARG A 15 0.637 -1.024 8.860 1.00 0.00 N ATOM 181 CZ ARG A 15 1.255 -2.049 8.285 1.00 0.00 C ATOM 182 NH1 ARG A 15 0.611 -2.811 7.411 1.00 0.00 N ATOM 183 NH2 ARG A 15 2.521 -2.314 8.582 1.00 0.00 N ATOM 0 H ARG A 15 -1.540 3.824 6.968 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.065 1.506 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.251 1.515 8.291 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.023 0.314 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.876 -0.476 6.455 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.031 0.843 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.155 -0.111 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.348 -1.571 8.488 1.00 0.00 H new ATOM 0 HE ARG A 15 1.161 -0.457 9.527 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.362 -2.610 7.179 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.089 -3.598 6.971 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.020 -1.730 9.253 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.995 -3.102 8.140 1.00 0.00 H new ATOM 197 N ALA A 16 -4.375 2.342 5.065 1.00 0.00 N ATOM 198 CA ALA A 16 -5.728 2.858 4.895 1.00 0.00 C ATOM 199 C ALA A 16 -6.709 2.140 5.816 1.00 0.00 C ATOM 200 O ALA A 16 -6.784 0.912 5.821 1.00 0.00 O ATOM 201 CB ALA A 16 -6.167 2.720 3.445 1.00 0.00 C ATOM 0 H ALA A 16 -4.042 1.768 4.291 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.724 3.914 5.164 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.179 3.109 3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.488 3.283 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.149 1.669 3.158 1.00 0.00 H new ATOM 207 N GLU A 17 -7.457 2.915 6.595 1.00 0.00 N ATOM 208 CA GLU A 17 -8.432 2.352 7.522 1.00 0.00 C ATOM 209 C GLU A 17 -9.485 1.538 6.775 1.00 0.00 C ATOM 210 O GLU A 17 -10.345 2.093 6.090 1.00 0.00 O ATOM 211 CB GLU A 17 -9.107 3.465 8.326 1.00 0.00 C ATOM 212 CG GLU A 17 -9.570 3.025 9.704 1.00 0.00 C ATOM 213 CD GLU A 17 -10.111 4.174 10.532 1.00 0.00 C ATOM 214 OE1 GLU A 17 -11.076 4.826 10.082 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.569 4.422 11.630 1.00 0.00 O ATOM 0 H GLU A 17 -7.407 3.934 6.603 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.903 1.689 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.411 4.297 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.964 3.838 7.766 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.343 2.263 9.598 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.737 2.562 10.233 1.00 0.00 H new ATOM 222 N HIS A 18 -9.411 0.218 6.913 1.00 0.00 N ATOM 223 CA HIS A 18 -10.358 -0.674 6.251 1.00 0.00 C ATOM 224 C HIS A 18 -11.780 -0.415 6.739 1.00 0.00 C ATOM 225 O HIS A 18 -12.133 -0.764 7.866 1.00 0.00 O ATOM 226 CB HIS A 18 -9.977 -2.133 6.504 1.00 0.00 C ATOM 227 CG HIS A 18 -8.712 -2.550 5.819 1.00 0.00 C ATOM 228 ND1 HIS A 18 -8.640 -3.628 4.962 1.00 0.00 N ATOM 229 CD2 HIS A 18 -7.466 -2.025 5.867 1.00 0.00 C ATOM 230 CE1 HIS A 18 -7.404 -3.749 4.514 1.00 0.00 C ATOM 231 NE2 HIS A 18 -6.671 -2.789 5.047 1.00 0.00 N ATOM 0 H HIS A 18 -8.706 -0.258 7.476 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.319 -0.476 5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.868 -2.290 7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.791 -2.776 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.154 -1.166 6.442 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.052 -4.505 3.828 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.676 -2.639 4.878 1.00 0.00 H new ATOM 240 N ILE A 19 -12.590 0.200 5.885 1.00 0.00 N ATOM 241 CA ILE A 19 -13.973 0.505 6.229 1.00 0.00 C ATOM 242 C ILE A 19 -14.923 -0.557 5.686 1.00 0.00 C ATOM 243 O ILE A 19 -14.971 -0.826 4.485 1.00 0.00 O ATOM 244 CB ILE A 19 -14.398 1.883 5.686 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.533 2.985 6.300 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.870 2.135 5.974 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.583 3.022 7.812 1.00 0.00 C ATOM 0 H ILE A 19 -12.313 0.497 4.949 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.031 0.518 7.317 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.253 1.892 4.606 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.500 2.844 5.982 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.858 3.950 5.910 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.155 3.112 5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.472 1.363 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.040 2.110 7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.946 3.828 8.177 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.609 3.194 8.138 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.230 2.071 8.211 1.00 0.00 H new ATOM 259 N PRO A 20 -15.698 -1.176 6.589 1.00 0.00 N ATOM 260 CA PRO A 20 -16.662 -2.217 6.223 1.00 0.00 C ATOM 261 C PRO A 20 -17.848 -1.661 5.441 1.00 0.00 C ATOM 262 O PRO A 20 -18.069 -0.451 5.409 1.00 0.00 O ATOM 263 CB PRO A 20 -17.124 -2.765 7.576 1.00 0.00 C ATOM 264 CG PRO A 20 -16.906 -1.643 8.533 1.00 0.00 C ATOM 265 CD PRO A 20 -15.693 -0.905 8.036 1.00 0.00 C ATOM 0 HA PRO A 20 -16.220 -2.970 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.172 -3.062 7.546 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.551 -3.647 7.863 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -17.775 -0.986 8.569 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -16.748 -2.018 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -15.759 0.163 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.780 -1.267 8.509 1.00 0.00 H new ATOM 273 N ALA A 21 -18.607 -2.553 4.814 1.00 0.00 N ATOM 274 CA ALA A 21 -19.772 -2.151 4.034 1.00 0.00 C ATOM 275 C ALA A 21 -20.869 -1.592 4.935 1.00 0.00 C ATOM 276 O ALA A 21 -21.046 -2.042 6.066 1.00 0.00 O ATOM 277 CB ALA A 21 -20.298 -3.328 3.226 1.00 0.00 C ATOM 0 H ALA A 21 -18.437 -3.559 4.831 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.465 -1.362 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.167 -3.013 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -19.521 -3.680 2.548 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -20.583 -4.134 3.901 1.00 0.00 H new ATOM 283 N GLY A 22 -21.603 -0.608 4.424 1.00 0.00 N ATOM 284 CA GLY A 22 -22.672 -0.003 5.196 1.00 0.00 C ATOM 285 C GLY A 22 -22.187 1.145 6.059 1.00 0.00 C ATOM 286 O GLY A 22 -22.857 2.172 6.173 1.00 0.00 O ATOM 0 H GLY A 22 -21.476 -0.219 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.446 0.358 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.132 -0.761 5.830 1.00 0.00 H new ATOM 290 N LYS A 23 -21.020 0.972 6.670 1.00 0.00 N ATOM 291 CA LYS A 23 -20.445 2.001 7.528 1.00 0.00 C ATOM 292 C LYS A 23 -20.602 3.383 6.900 1.00 0.00 C ATOM 293 O LYS A 23 -21.354 4.220 7.399 1.00 0.00 O ATOM 294 CB LYS A 23 -18.965 1.712 7.784 1.00 0.00 C ATOM 295 CG LYS A 23 -18.283 2.754 8.654 1.00 0.00 C ATOM 296 CD LYS A 23 -18.775 2.692 10.090 1.00 0.00 C ATOM 297 CE LYS A 23 -18.234 1.468 10.812 1.00 0.00 C ATOM 298 NZ LYS A 23 -18.500 1.524 12.276 1.00 0.00 N ATOM 0 H LYS A 23 -20.453 0.128 6.587 1.00 0.00 H new ATOM 0 HA LYS A 23 -20.981 1.989 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -18.871 0.736 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.445 1.652 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.204 2.598 8.631 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.470 3.748 8.247 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.468 3.594 10.620 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.865 2.671 10.102 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.689 0.570 10.395 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.160 1.391 10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.116 0.672 12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -18.045 2.367 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.526 1.572 12.441 1.00 0.00 H new ATOM 312 N ARG A 24 -19.889 3.614 5.803 1.00 0.00 N ATOM 313 CA ARG A 24 -19.950 4.894 5.107 1.00 0.00 C ATOM 314 C ARG A 24 -20.014 4.689 3.596 1.00 0.00 C ATOM 315 O ARG A 24 -19.625 3.639 3.084 1.00 0.00 O ATOM 316 CB ARG A 24 -18.735 5.752 5.465 1.00 0.00 C ATOM 317 CG ARG A 24 -18.960 7.241 5.263 1.00 0.00 C ATOM 318 CD ARG A 24 -17.672 8.028 5.443 1.00 0.00 C ATOM 319 NE ARG A 24 -17.834 9.434 5.081 1.00 0.00 N ATOM 320 CZ ARG A 24 -18.434 10.328 5.859 1.00 0.00 C ATOM 321 NH1 ARG A 24 -18.926 9.965 7.035 1.00 0.00 N ATOM 322 NH2 ARG A 24 -18.543 11.589 5.460 1.00 0.00 N ATOM 0 H ARG A 24 -19.262 2.932 5.377 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.856 5.409 5.425 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.468 5.572 6.506 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -17.886 5.436 4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.359 7.418 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.707 7.597 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -17.345 7.956 6.480 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -16.887 7.584 4.830 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.466 9.746 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -18.844 8.997 7.345 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.386 10.654 7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -18.166 11.872 4.556 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.004 12.275 6.058 1.00 0.00 H new ATOM 336 N THR A 25 -20.508 5.700 2.888 1.00 0.00 N ATOM 337 CA THR A 25 -20.625 5.630 1.437 1.00 0.00 C ATOM 338 C THR A 25 -19.961 6.832 0.774 1.00 0.00 C ATOM 339 O THR A 25 -20.590 7.593 0.040 1.00 0.00 O ATOM 340 CB THR A 25 -22.099 5.565 0.994 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.791 6.745 1.417 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.783 4.335 1.573 1.00 0.00 C ATOM 0 H THR A 25 -20.833 6.576 3.296 1.00 0.00 H new ATOM 0 HA THR A 25 -20.118 4.718 1.123 1.00 0.00 H new ATOM 0 HB THR A 25 -22.126 5.499 -0.094 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.339 7.536 1.056 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.823 4.310 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 25 -22.272 3.437 1.226 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.745 4.376 2.662 1.00 0.00 H new ATOM 350 N PRO A 26 -18.657 7.007 1.036 1.00 0.00 N ATOM 351 CA PRO A 26 -17.878 8.114 0.473 1.00 0.00 C ATOM 352 C PRO A 26 -17.656 7.962 -1.028 1.00 0.00 C ATOM 353 O PRO A 26 -17.773 6.865 -1.574 1.00 0.00 O ATOM 354 CB PRO A 26 -16.546 8.027 1.222 1.00 0.00 C ATOM 355 CG PRO A 26 -16.437 6.601 1.637 1.00 0.00 C ATOM 356 CD PRO A 26 -17.843 6.138 1.902 1.00 0.00 C ATOM 0 HA PRO A 26 -18.387 9.071 0.589 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.713 8.318 0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.533 8.693 2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.970 6.002 0.856 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.818 6.500 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.973 5.085 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.112 6.251 2.952 1.00 0.00 H new ATOM 364 N MET A 27 -17.335 9.069 -1.689 1.00 0.00 N ATOM 365 CA MET A 27 -17.095 9.057 -3.128 1.00 0.00 C ATOM 366 C MET A 27 -15.629 8.766 -3.432 1.00 0.00 C ATOM 367 O MET A 27 -14.731 9.394 -2.870 1.00 0.00 O ATOM 368 CB MET A 27 -17.500 10.397 -3.745 1.00 0.00 C ATOM 369 CG MET A 27 -17.986 10.283 -5.181 1.00 0.00 C ATOM 370 SD MET A 27 -19.199 11.548 -5.606 1.00 0.00 S ATOM 371 CE MET A 27 -20.652 10.540 -5.890 1.00 0.00 C ATOM 0 H MET A 27 -17.235 9.985 -1.252 1.00 0.00 H new ATOM 0 HA MET A 27 -17.702 8.265 -3.566 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.287 10.844 -3.138 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.648 11.076 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 27 -17.134 10.361 -5.856 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.425 9.297 -5.335 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.491 11.180 -6.163 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.454 9.836 -6.699 1.00 0.00 H new ATOM 0 HE3 MET A 27 -20.896 9.989 -4.981 1.00 0.00 H new ATOM 381 N CYS A 28 -15.393 7.810 -4.324 1.00 0.00 N ATOM 382 CA CYS A 28 -14.036 7.435 -4.703 1.00 0.00 C ATOM 383 C CYS A 28 -13.207 8.669 -5.049 1.00 0.00 C ATOM 384 O CYS A 28 -13.745 9.762 -5.224 1.00 0.00 O ATOM 385 CB CYS A 28 -14.063 6.475 -5.894 1.00 0.00 C ATOM 386 SG CYS A 28 -12.526 5.525 -6.118 1.00 0.00 S ATOM 0 H CYS A 28 -16.125 7.280 -4.798 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.573 6.935 -3.852 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.892 5.779 -5.767 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.261 7.045 -6.802 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.816 4.304 -6.457 1.00 0.00 H new ATOM 391 N ALA A 29 -11.894 8.485 -5.145 1.00 0.00 N ATOM 392 CA ALA A 29 -10.991 9.581 -5.472 1.00 0.00 C ATOM 393 C ALA A 29 -10.592 9.543 -6.943 1.00 0.00 C ATOM 394 O ALA A 29 -10.376 10.584 -7.565 1.00 0.00 O ATOM 395 CB ALA A 29 -9.755 9.530 -4.586 1.00 0.00 C ATOM 0 H ALA A 29 -11.432 7.587 -5.001 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.516 10.518 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.090 10.355 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.053 9.615 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.236 8.584 -4.740 1.00 0.00 H new ATOM 401 N HIS A 30 -10.494 8.338 -7.494 1.00 0.00 N ATOM 402 CA HIS A 30 -10.120 8.164 -8.893 1.00 0.00 C ATOM 403 C HIS A 30 -11.339 8.296 -9.802 1.00 0.00 C ATOM 404 O HIS A 30 -11.483 9.281 -10.526 1.00 0.00 O ATOM 405 CB HIS A 30 -9.459 6.801 -9.101 1.00 0.00 C ATOM 406 CG HIS A 30 -9.173 6.487 -10.538 1.00 0.00 C ATOM 407 ND1 HIS A 30 -8.310 7.232 -11.314 1.00 0.00 N ATOM 408 CD2 HIS A 30 -9.641 5.501 -11.338 1.00 0.00 C ATOM 409 CE1 HIS A 30 -8.261 6.718 -12.530 1.00 0.00 C ATOM 410 NE2 HIS A 30 -9.059 5.666 -12.571 1.00 0.00 N ATOM 0 H HIS A 30 -10.668 7.467 -6.993 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.408 8.948 -9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.526 6.769 -8.538 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -10.106 6.026 -8.690 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.342 4.728 -11.059 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -7.669 7.094 -13.351 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -9.217 5.073 -13.386 1.00 0.00 H new ATOM 419 N CYS A 31 -12.213 7.296 -9.759 1.00 0.00 N ATOM 420 CA CYS A 31 -13.419 7.298 -10.578 1.00 0.00 C ATOM 421 C CYS A 31 -14.451 8.277 -10.025 1.00 0.00 C ATOM 422 O CYS A 31 -15.336 8.735 -10.746 1.00 0.00 O ATOM 423 CB CYS A 31 -14.018 5.892 -10.645 1.00 0.00 C ATOM 424 SG CYS A 31 -14.699 5.298 -9.064 1.00 0.00 S ATOM 0 H CYS A 31 -12.108 6.473 -9.165 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.144 7.617 -11.584 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.808 5.881 -11.396 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.249 5.197 -10.981 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.761 5.286 -8.164 1.00 0.00 H new ATOM 429 N ASN A 32 -14.329 8.592 -8.740 1.00 0.00 N ATOM 430 CA ASN A 32 -15.251 9.516 -8.089 1.00 0.00 C ATOM 431 C ASN A 32 -16.681 8.987 -8.144 1.00 0.00 C ATOM 432 O ASN A 32 -17.599 9.694 -8.558 1.00 0.00 O ATOM 433 CB ASN A 32 -15.179 10.893 -8.753 1.00 0.00 C ATOM 434 CG ASN A 32 -16.132 11.890 -8.121 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.982 12.257 -6.956 1.00 0.00 O ATOM 436 ND2 ASN A 32 -17.120 12.332 -8.890 1.00 0.00 N ATOM 0 H ASN A 32 -13.601 8.221 -8.129 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.956 9.608 -7.044 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.160 11.274 -8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.411 10.795 -9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.793 13.003 -8.520 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.206 12.000 -9.851 1.00 0.00 H new ATOM 443 N GLN A 33 -16.861 7.739 -7.723 1.00 0.00 N ATOM 444 CA GLN A 33 -18.179 7.115 -7.725 1.00 0.00 C ATOM 445 C GLN A 33 -18.552 6.629 -6.328 1.00 0.00 C ATOM 446 O GLN A 33 -17.748 5.994 -5.645 1.00 0.00 O ATOM 447 CB GLN A 33 -18.212 5.947 -8.711 1.00 0.00 C ATOM 448 CG GLN A 33 -17.812 6.333 -10.126 1.00 0.00 C ATOM 449 CD GLN A 33 -17.931 5.179 -11.102 1.00 0.00 C ATOM 450 OE1 GLN A 33 -16.938 4.731 -11.674 1.00 0.00 O ATOM 451 NE2 GLN A 33 -19.151 4.691 -11.296 1.00 0.00 N ATOM 0 H GLN A 33 -16.111 7.141 -7.376 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.908 7.863 -8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.544 5.163 -8.355 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -19.217 5.526 -8.729 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -18.440 7.157 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -16.784 6.696 -10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.946 5.094 -10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.293 3.914 -11.941 1.00 0.00 H new ATOM 460 N VAL A 34 -19.777 6.931 -5.910 1.00 0.00 N ATOM 461 CA VAL A 34 -20.258 6.523 -4.595 1.00 0.00 C ATOM 462 C VAL A 34 -19.923 5.062 -4.316 1.00 0.00 C ATOM 463 O VAL A 34 -20.138 4.193 -5.161 1.00 0.00 O ATOM 464 CB VAL A 34 -21.780 6.723 -4.467 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.507 6.038 -5.614 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.274 6.203 -3.125 1.00 0.00 C ATOM 0 H VAL A 34 -20.454 7.457 -6.463 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.753 7.154 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.995 7.790 -4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.581 6.190 -5.507 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -22.173 6.462 -6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.288 4.970 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.351 6.352 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -22.048 5.140 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.777 6.744 -2.320 1.00 0.00 H new ATOM 476 N ILE A 35 -19.396 4.799 -3.125 1.00 0.00 N ATOM 477 CA ILE A 35 -19.033 3.442 -2.734 1.00 0.00 C ATOM 478 C ILE A 35 -20.059 2.855 -1.771 1.00 0.00 C ATOM 479 O ILE A 35 -20.412 3.476 -0.769 1.00 0.00 O ATOM 480 CB ILE A 35 -17.643 3.400 -2.072 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.598 4.039 -2.989 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.257 1.966 -1.740 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.383 4.557 -2.252 1.00 0.00 C ATOM 0 H ILE A 35 -19.211 5.507 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 35 -19.011 2.846 -3.646 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.682 3.970 -1.143 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -16.278 3.305 -3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -17.060 4.862 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.272 1.953 -1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.990 1.542 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.232 1.375 -2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.685 4.996 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.690 5.315 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.897 3.734 -1.728 1.00 0.00 H new ATOM 495 N ARG A 36 -20.534 1.653 -2.083 1.00 0.00 N ATOM 496 CA ARG A 36 -21.519 0.980 -1.245 1.00 0.00 C ATOM 497 C ARG A 36 -20.843 0.002 -0.288 1.00 0.00 C ATOM 498 O ARG A 36 -21.057 0.054 0.922 1.00 0.00 O ATOM 499 CB ARG A 36 -22.537 0.239 -2.114 1.00 0.00 C ATOM 500 CG ARG A 36 -23.489 1.161 -2.858 1.00 0.00 C ATOM 501 CD ARG A 36 -24.660 0.393 -3.451 1.00 0.00 C ATOM 502 NE ARG A 36 -25.380 1.178 -4.450 1.00 0.00 N ATOM 503 CZ ARG A 36 -26.284 0.663 -5.277 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.577 -0.628 -5.223 1.00 0.00 N ATOM 505 NH2 ARG A 36 -26.897 1.442 -6.159 1.00 0.00 N ATOM 0 H ARG A 36 -20.253 1.126 -2.910 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.036 1.737 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.004 -0.378 -2.837 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.116 -0.436 -1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.862 1.926 -2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.951 1.677 -3.653 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.296 -0.528 -3.907 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.345 0.105 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.178 2.176 -4.517 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -26.108 -1.229 -4.545 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -27.271 -1.020 -5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -26.674 2.436 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -27.591 1.046 -6.794 1.00 0.00 H new ATOM 519 N GLY A 37 -20.027 -0.890 -0.841 1.00 0.00 N ATOM 520 CA GLY A 37 -19.332 -1.867 -0.023 1.00 0.00 C ATOM 521 C GLY A 37 -18.166 -1.265 0.735 1.00 0.00 C ATOM 522 O GLY A 37 -18.121 -0.063 0.995 1.00 0.00 O ATOM 0 H GLY A 37 -19.835 -0.954 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.033 -2.308 0.686 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -18.970 -2.676 -0.658 1.00 0.00 H new ATOM 526 N PRO A 38 -17.194 -2.113 1.103 1.00 0.00 N ATOM 527 CA PRO A 38 -16.004 -1.680 1.842 1.00 0.00 C ATOM 528 C PRO A 38 -15.071 -0.826 0.990 1.00 0.00 C ATOM 529 O PRO A 38 -14.979 -1.012 -0.224 1.00 0.00 O ATOM 530 CB PRO A 38 -15.324 -2.998 2.223 1.00 0.00 C ATOM 531 CG PRO A 38 -15.783 -3.972 1.193 1.00 0.00 C ATOM 532 CD PRO A 38 -17.181 -3.559 0.826 1.00 0.00 C ATOM 0 HA PRO A 38 -16.260 -1.054 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.238 -2.899 2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -15.611 -3.317 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.129 -3.955 0.321 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -15.767 -4.990 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.400 -3.769 -0.221 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -17.925 -4.089 1.420 1.00 0.00 H new ATOM 540 N PHE A 39 -14.381 0.109 1.633 1.00 0.00 N ATOM 541 CA PHE A 39 -13.455 0.992 0.933 1.00 0.00 C ATOM 542 C PHE A 39 -12.237 1.300 1.800 1.00 0.00 C ATOM 543 O PHE A 39 -12.153 0.866 2.949 1.00 0.00 O ATOM 544 CB PHE A 39 -14.156 2.294 0.540 1.00 0.00 C ATOM 545 CG PHE A 39 -14.576 3.128 1.717 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.697 4.032 2.291 1.00 0.00 C ATOM 547 CD2 PHE A 39 -15.849 3.006 2.250 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.081 4.802 3.373 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.238 3.773 3.332 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.353 4.671 3.895 1.00 0.00 C ATOM 0 H PHE A 39 -14.445 0.275 2.637 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.118 0.482 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.488 2.881 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.035 2.057 -0.060 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.700 4.136 1.889 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.545 2.304 1.815 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.387 5.505 3.810 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.234 3.670 3.737 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.655 5.270 4.742 1.00 0.00 H new ATOM 560 N LEU A 40 -11.294 2.050 1.240 1.00 0.00 N ATOM 561 CA LEU A 40 -10.079 2.416 1.959 1.00 0.00 C ATOM 562 C LEU A 40 -9.918 3.931 2.021 1.00 0.00 C ATOM 563 O LEU A 40 -9.826 4.599 0.991 1.00 0.00 O ATOM 564 CB LEU A 40 -8.856 1.789 1.288 1.00 0.00 C ATOM 565 CG LEU A 40 -9.101 0.480 0.535 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.081 0.306 -0.579 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.054 -0.702 1.493 1.00 0.00 C ATOM 0 H LEU A 40 -11.348 2.417 0.290 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.161 2.036 2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.438 2.514 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.099 1.609 2.052 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.094 0.521 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.271 -0.630 -1.103 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.162 1.137 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.078 0.286 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.230 -1.625 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.075 -0.746 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.823 -0.583 2.256 1.00 0.00 H new ATOM 579 N VAL A 41 -9.883 4.468 3.237 1.00 0.00 N ATOM 580 CA VAL A 41 -9.730 5.905 3.434 1.00 0.00 C ATOM 581 C VAL A 41 -8.292 6.259 3.797 1.00 0.00 C ATOM 582 O VAL A 41 -7.813 5.922 4.879 1.00 0.00 O ATOM 583 CB VAL A 41 -10.670 6.423 4.539 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.670 5.475 5.728 1.00 0.00 C ATOM 585 CG2 VAL A 41 -10.266 7.826 4.966 1.00 0.00 C ATOM 0 H VAL A 41 -9.959 3.930 4.100 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.992 6.384 2.491 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.683 6.466 4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.340 5.858 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.010 4.490 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.660 5.397 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.940 8.177 5.747 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.245 7.810 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.323 8.498 4.109 1.00 0.00 H new ATOM 595 N ALA A 42 -7.609 6.942 2.885 1.00 0.00 N ATOM 596 CA ALA A 42 -6.226 7.345 3.109 1.00 0.00 C ATOM 597 C ALA A 42 -5.915 8.659 2.401 1.00 0.00 C ATOM 598 O ALA A 42 -6.500 8.970 1.362 1.00 0.00 O ATOM 599 CB ALA A 42 -5.275 6.253 2.642 1.00 0.00 C ATOM 0 H ALA A 42 -7.991 7.228 1.983 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.088 7.498 4.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.246 6.568 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.473 5.336 3.198 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.424 6.071 1.578 1.00 0.00 H new ATOM 605 N LEU A 43 -4.993 9.428 2.969 1.00 0.00 N ATOM 606 CA LEU A 43 -4.605 10.711 2.392 1.00 0.00 C ATOM 607 C LEU A 43 -5.791 11.668 2.343 1.00 0.00 C ATOM 608 O LEU A 43 -5.953 12.424 1.386 1.00 0.00 O ATOM 609 CB LEU A 43 -4.040 10.509 0.985 1.00 0.00 C ATOM 610 CG LEU A 43 -2.654 9.867 0.903 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.686 10.566 1.844 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.735 8.382 1.225 1.00 0.00 C ATOM 0 H LEU A 43 -4.500 9.186 3.828 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.835 11.149 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.738 9.891 0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.999 11.479 0.489 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.282 9.978 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.705 10.096 1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.605 11.617 1.568 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.052 10.487 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.740 7.941 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.127 8.249 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.396 7.890 0.511 1.00 0.00 H new ATOM 624 N GLY A 44 -6.618 11.630 3.383 1.00 0.00 N ATOM 625 CA GLY A 44 -7.779 12.500 3.441 1.00 0.00 C ATOM 626 C GLY A 44 -8.766 12.224 2.324 1.00 0.00 C ATOM 627 O GLY A 44 -9.338 13.149 1.747 1.00 0.00 O ATOM 0 H GLY A 44 -6.505 11.012 4.187 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.277 12.372 4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.454 13.539 3.386 1.00 0.00 H new ATOM 631 N LYS A 45 -8.967 10.947 2.017 1.00 0.00 N ATOM 632 CA LYS A 45 -9.891 10.550 0.962 1.00 0.00 C ATOM 633 C LYS A 45 -10.081 9.037 0.946 1.00 0.00 C ATOM 634 O LYS A 45 -9.374 8.306 1.639 1.00 0.00 O ATOM 635 CB LYS A 45 -9.378 11.024 -0.400 1.00 0.00 C ATOM 636 CG LYS A 45 -7.894 10.778 -0.610 1.00 0.00 C ATOM 637 CD LYS A 45 -7.384 11.478 -1.859 1.00 0.00 C ATOM 638 CE LYS A 45 -5.927 11.887 -1.712 1.00 0.00 C ATOM 639 NZ LYS A 45 -5.791 13.262 -1.154 1.00 0.00 N ATOM 0 H LYS A 45 -8.502 10.169 2.484 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.855 11.018 1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.937 10.516 -1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.579 12.090 -0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -7.339 11.132 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.710 9.707 -0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.492 10.816 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.993 12.360 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.415 11.178 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.436 11.839 -2.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.880 13.668 -1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.566 13.858 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.832 13.221 -0.116 1.00 0.00 H new ATOM 653 N SER A 46 -11.040 8.573 0.150 1.00 0.00 N ATOM 654 CA SER A 46 -11.324 7.147 0.046 1.00 0.00 C ATOM 655 C SER A 46 -11.156 6.663 -1.391 1.00 0.00 C ATOM 656 O SER A 46 -11.415 7.402 -2.340 1.00 0.00 O ATOM 657 CB SER A 46 -12.744 6.851 0.533 1.00 0.00 C ATOM 658 OG SER A 46 -12.750 6.502 1.906 1.00 0.00 O ATOM 0 H SER A 46 -11.633 9.165 -0.432 1.00 0.00 H new ATOM 0 HA SER A 46 -10.613 6.613 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.376 7.725 0.374 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.171 6.038 -0.054 1.00 0.00 H new ATOM 0 HG SER A 46 -13.331 5.725 2.043 1.00 0.00 H new ATOM 664 N TRP A 47 -10.720 5.417 -1.541 1.00 0.00 N ATOM 665 CA TRP A 47 -10.516 4.833 -2.862 1.00 0.00 C ATOM 666 C TRP A 47 -11.164 3.456 -2.954 1.00 0.00 C ATOM 667 O TRP A 47 -11.538 2.866 -1.940 1.00 0.00 O ATOM 668 CB TRP A 47 -9.022 4.729 -3.171 1.00 0.00 C ATOM 669 CG TRP A 47 -8.224 5.882 -2.642 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.025 6.209 -1.331 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.521 6.863 -3.413 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.240 7.333 -1.241 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.917 7.753 -2.504 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.341 7.074 -4.783 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.149 8.836 -2.922 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.578 8.150 -5.196 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.989 9.019 -4.268 1.00 0.00 C ATOM 0 H TRP A 47 -10.501 4.792 -0.765 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.987 5.485 -3.597 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.634 3.803 -2.747 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.885 4.667 -4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.426 5.664 -0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.945 7.782 -0.374 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.790 6.409 -5.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.695 9.508 -2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.433 8.324 -6.252 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.397 9.850 -4.623 1.00 0.00 H new ATOM 688 N HIS A 48 -11.294 2.948 -4.175 1.00 0.00 N ATOM 689 CA HIS A 48 -11.897 1.639 -4.399 1.00 0.00 C ATOM 690 C HIS A 48 -10.880 0.526 -4.164 1.00 0.00 C ATOM 691 O HIS A 48 -9.771 0.541 -4.699 1.00 0.00 O ATOM 692 CB HIS A 48 -12.453 1.546 -5.820 1.00 0.00 C ATOM 693 CG HIS A 48 -13.899 1.923 -5.923 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.373 2.841 -6.836 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.976 1.500 -5.223 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.680 2.968 -6.691 1.00 0.00 C ATOM 697 NE2 HIS A 48 -16.071 2.164 -5.719 1.00 0.00 N ATOM 0 H HIS A 48 -10.990 3.423 -5.025 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.715 1.517 -3.689 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.869 2.195 -6.473 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.325 0.527 -6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.975 0.775 -4.423 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.320 3.619 -7.269 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -17.030 2.054 -5.390 1.00 0.00 H new ATOM 705 N PRO A 49 -11.264 -0.464 -3.344 1.00 0.00 N ATOM 706 CA PRO A 49 -10.400 -1.603 -3.019 1.00 0.00 C ATOM 707 C PRO A 49 -10.199 -2.535 -4.209 1.00 0.00 C ATOM 708 O PRO A 49 -9.575 -3.589 -4.084 1.00 0.00 O ATOM 709 CB PRO A 49 -11.163 -2.319 -1.902 1.00 0.00 C ATOM 710 CG PRO A 49 -12.589 -1.945 -2.116 1.00 0.00 C ATOM 711 CD PRO A 49 -12.571 -0.547 -2.671 1.00 0.00 C ATOM 0 HA PRO A 49 -9.397 -1.286 -2.733 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.025 -3.399 -1.957 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.814 -2.003 -0.919 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.074 -2.634 -2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.148 -1.987 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.393 -0.381 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.665 0.200 -1.882 1.00 0.00 H new ATOM 719 N GLU A 50 -10.729 -2.139 -5.362 1.00 0.00 N ATOM 720 CA GLU A 50 -10.607 -2.941 -6.573 1.00 0.00 C ATOM 721 C GLU A 50 -9.588 -2.329 -7.530 1.00 0.00 C ATOM 722 O GLU A 50 -8.915 -3.042 -8.275 1.00 0.00 O ATOM 723 CB GLU A 50 -11.965 -3.066 -7.268 1.00 0.00 C ATOM 724 CG GLU A 50 -12.617 -1.728 -7.573 1.00 0.00 C ATOM 725 CD GLU A 50 -13.790 -1.855 -8.526 1.00 0.00 C ATOM 726 OE1 GLU A 50 -13.573 -2.270 -9.683 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.926 -1.539 -8.113 1.00 0.00 O ATOM 0 H GLU A 50 -11.247 -1.268 -5.483 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.261 -3.934 -6.287 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.838 -3.619 -8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -12.634 -3.652 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.957 -1.273 -6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.875 -1.056 -8.004 1.00 0.00 H new ATOM 734 N GLU A 51 -9.480 -1.005 -7.503 1.00 0.00 N ATOM 735 CA GLU A 51 -8.545 -0.297 -8.369 1.00 0.00 C ATOM 736 C GLU A 51 -7.300 0.125 -7.594 1.00 0.00 C ATOM 737 O GLU A 51 -6.185 0.079 -8.115 1.00 0.00 O ATOM 738 CB GLU A 51 -9.216 0.932 -8.986 1.00 0.00 C ATOM 739 CG GLU A 51 -10.310 1.529 -8.117 1.00 0.00 C ATOM 740 CD GLU A 51 -10.723 2.915 -8.570 1.00 0.00 C ATOM 741 OE1 GLU A 51 -9.940 3.866 -8.363 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.830 3.050 -9.133 1.00 0.00 O ATOM 0 H GLU A 51 -10.028 -0.401 -6.891 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.243 -0.976 -9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.458 1.692 -9.175 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.640 0.657 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.180 0.872 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.964 1.576 -7.085 1.00 0.00 H new ATOM 749 N PHE A 52 -7.498 0.538 -6.347 1.00 0.00 N ATOM 750 CA PHE A 52 -6.392 0.971 -5.499 1.00 0.00 C ATOM 751 C PHE A 52 -5.190 0.045 -5.660 1.00 0.00 C ATOM 752 O PHE A 52 -5.183 -1.075 -5.150 1.00 0.00 O ATOM 753 CB PHE A 52 -6.830 1.008 -4.034 1.00 0.00 C ATOM 754 CG PHE A 52 -6.007 1.936 -3.186 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.762 3.236 -3.596 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.478 1.507 -1.979 1.00 0.00 C ATOM 757 CE1 PHE A 52 -5.004 4.091 -2.818 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.720 2.358 -1.197 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.483 3.652 -1.617 1.00 0.00 C ATOM 0 H PHE A 52 -8.414 0.582 -5.900 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.099 1.974 -5.808 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.875 1.313 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.771 0.002 -3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -6.168 3.586 -4.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.660 0.496 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.819 5.102 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.313 2.011 -0.258 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.891 4.319 -1.007 1.00 0.00 H new ATOM 769 N ASN A 53 -4.175 0.522 -6.372 1.00 0.00 N ATOM 770 CA ASN A 53 -2.966 -0.262 -6.601 1.00 0.00 C ATOM 771 C ASN A 53 -1.720 0.607 -6.467 1.00 0.00 C ATOM 772 O ASN A 53 -1.812 1.828 -6.339 1.00 0.00 O ATOM 773 CB ASN A 53 -3.006 -0.905 -7.989 1.00 0.00 C ATOM 774 CG ASN A 53 -3.573 0.028 -9.042 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.228 1.209 -9.091 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.447 -0.499 -9.891 1.00 0.00 N ATOM 0 H ASN A 53 -4.165 1.448 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.923 -1.046 -5.845 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.998 -1.204 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.609 -1.812 -7.949 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.862 0.080 -10.621 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.704 -1.483 -9.813 1.00 0.00 H new ATOM 783 N CYS A 54 -0.555 -0.031 -6.497 1.00 0.00 N ATOM 784 CA CYS A 54 0.712 0.682 -6.379 1.00 0.00 C ATOM 785 C CYS A 54 0.955 1.565 -7.599 1.00 0.00 C ATOM 786 O CYS A 54 0.219 1.498 -8.583 1.00 0.00 O ATOM 787 CB CYS A 54 1.866 -0.309 -6.214 1.00 0.00 C ATOM 788 SG CYS A 54 3.357 0.407 -5.451 1.00 0.00 S ATOM 0 H CYS A 54 -0.462 -1.041 -6.602 1.00 0.00 H new ATOM 0 HA CYS A 54 0.661 1.319 -5.496 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.527 -1.148 -5.606 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.129 -0.711 -7.193 1.00 0.00 H new ATOM 0 HG CYS A 54 3.128 1.646 -5.129 1.00 0.00 H new ATOM 793 N ALA A 55 1.993 2.392 -7.527 1.00 0.00 N ATOM 794 CA ALA A 55 2.335 3.286 -8.626 1.00 0.00 C ATOM 795 C ALA A 55 3.496 2.731 -9.445 1.00 0.00 C ATOM 796 O ALA A 55 3.767 3.198 -10.552 1.00 0.00 O ATOM 797 CB ALA A 55 2.676 4.670 -8.094 1.00 0.00 C ATOM 0 H ALA A 55 2.612 2.461 -6.719 1.00 0.00 H new ATOM 0 HA ALA A 55 1.467 3.364 -9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.929 5.327 -8.926 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.817 5.076 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.526 4.600 -7.415 1.00 0.00 H new ATOM 803 N HIS A 56 4.179 1.733 -8.893 1.00 0.00 N ATOM 804 CA HIS A 56 5.312 1.114 -9.573 1.00 0.00 C ATOM 805 C HIS A 56 5.003 -0.335 -9.934 1.00 0.00 C ATOM 806 O HIS A 56 5.270 -0.778 -11.051 1.00 0.00 O ATOM 807 CB HIS A 56 6.559 1.178 -8.691 1.00 0.00 C ATOM 808 CG HIS A 56 7.656 0.261 -9.137 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.559 0.594 -10.125 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.993 -0.983 -8.724 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.404 -0.407 -10.301 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.082 -1.376 -9.462 1.00 0.00 N ATOM 0 H HIS A 56 3.968 1.336 -7.978 1.00 0.00 H new ATOM 0 HA HIS A 56 5.499 1.667 -10.494 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.934 2.201 -8.680 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.282 0.929 -7.666 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.498 -1.559 -7.957 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.219 -0.429 -11.010 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.564 -2.271 -9.377 1.00 0.00 H new ATOM 821 N CYS A 57 4.440 -1.070 -8.980 1.00 0.00 N ATOM 822 CA CYS A 57 4.096 -2.471 -9.196 1.00 0.00 C ATOM 823 C CYS A 57 2.593 -2.637 -9.397 1.00 0.00 C ATOM 824 O CYS A 57 2.107 -3.739 -9.651 1.00 0.00 O ATOM 825 CB CYS A 57 4.561 -3.320 -8.011 1.00 0.00 C ATOM 826 SG CYS A 57 3.642 -3.010 -6.469 1.00 0.00 S ATOM 0 H CYS A 57 4.212 -0.719 -8.050 1.00 0.00 H new ATOM 0 HA CYS A 57 4.605 -2.810 -10.099 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.465 -4.374 -8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.620 -3.130 -7.835 1.00 0.00 H new ATOM 0 HG CYS A 57 3.782 -1.765 -6.124 1.00 0.00 H new ATOM 831 N LYS A 58 1.861 -1.534 -9.281 1.00 0.00 N ATOM 832 CA LYS A 58 0.413 -1.555 -9.451 1.00 0.00 C ATOM 833 C LYS A 58 -0.204 -2.745 -8.723 1.00 0.00 C ATOM 834 O LYS A 58 -1.098 -3.409 -9.245 1.00 0.00 O ATOM 835 CB LYS A 58 0.054 -1.611 -10.938 1.00 0.00 C ATOM 836 CG LYS A 58 0.897 -0.690 -11.802 1.00 0.00 C ATOM 837 CD LYS A 58 2.195 -1.355 -12.225 1.00 0.00 C ATOM 838 CE LYS A 58 2.668 -0.846 -13.579 1.00 0.00 C ATOM 839 NZ LYS A 58 4.040 -1.326 -13.904 1.00 0.00 N ATOM 0 H LYS A 58 2.247 -0.614 -9.070 1.00 0.00 H new ATOM 0 HA LYS A 58 0.009 -0.639 -9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.170 -2.635 -11.293 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.997 -1.348 -11.060 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.330 -0.401 -12.687 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.118 0.225 -11.252 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.963 -1.165 -11.475 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.054 -2.435 -12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.975 -1.176 -14.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.654 0.244 -13.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.425 -0.768 -14.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.653 -1.216 -13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.002 -2.329 -14.175 1.00 0.00 H new ATOM 853 N ASN A 59 0.281 -3.008 -7.514 1.00 0.00 N ATOM 854 CA ASN A 59 -0.224 -4.119 -6.714 1.00 0.00 C ATOM 855 C ASN A 59 -1.254 -3.633 -5.698 1.00 0.00 C ATOM 856 O ASN A 59 -1.176 -2.506 -5.207 1.00 0.00 O ATOM 857 CB ASN A 59 0.929 -4.820 -5.992 1.00 0.00 C ATOM 858 CG ASN A 59 1.853 -5.547 -6.950 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.570 -5.652 -8.144 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.965 -6.053 -6.430 1.00 0.00 N ATOM 0 H ASN A 59 1.022 -2.468 -7.067 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.708 -4.828 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.501 -4.084 -5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.525 -5.531 -5.271 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.625 -6.553 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.159 -5.942 -5.435 1.00 0.00 H new ATOM 867 N THR A 60 -2.219 -4.492 -5.385 1.00 0.00 N ATOM 868 CA THR A 60 -3.265 -4.152 -4.429 1.00 0.00 C ATOM 869 C THR A 60 -2.677 -3.509 -3.178 1.00 0.00 C ATOM 870 O THR A 60 -1.986 -4.164 -2.398 1.00 0.00 O ATOM 871 CB THR A 60 -4.078 -5.395 -4.020 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.123 -5.020 -3.116 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.183 -6.436 -3.365 1.00 0.00 C ATOM 0 H THR A 60 -2.298 -5.429 -5.780 1.00 0.00 H new ATOM 0 HA THR A 60 -3.927 -3.441 -4.923 1.00 0.00 H new ATOM 0 HB THR A 60 -4.514 -5.829 -4.920 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.636 -5.815 -2.862 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.779 -7.304 -3.085 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.406 -6.740 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.721 -6.010 -2.474 1.00 0.00 H new ATOM 881 N MET A 61 -2.958 -2.224 -2.991 1.00 0.00 N ATOM 882 CA MET A 61 -2.458 -1.493 -1.832 1.00 0.00 C ATOM 883 C MET A 61 -3.540 -1.361 -0.765 1.00 0.00 C ATOM 884 O MET A 61 -3.672 -0.316 -0.128 1.00 0.00 O ATOM 885 CB MET A 61 -1.966 -0.106 -2.250 1.00 0.00 C ATOM 886 CG MET A 61 -0.655 -0.134 -3.020 1.00 0.00 C ATOM 887 SD MET A 61 0.274 1.403 -2.864 1.00 0.00 S ATOM 888 CE MET A 61 -0.931 2.589 -3.454 1.00 0.00 C ATOM 0 H MET A 61 -3.529 -1.667 -3.627 1.00 0.00 H new ATOM 0 HA MET A 61 -1.624 -2.055 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.729 0.371 -2.865 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.842 0.510 -1.360 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.044 -0.962 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.861 -0.325 -4.073 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.526 3.122 -4.314 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.842 2.067 -3.746 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.159 3.301 -2.661 1.00 0.00 H new ATOM 898 N ALA A 62 -4.312 -2.426 -0.576 1.00 0.00 N ATOM 899 CA ALA A 62 -5.381 -2.428 0.415 1.00 0.00 C ATOM 900 C ALA A 62 -4.855 -2.829 1.789 1.00 0.00 C ATOM 901 O ALA A 62 -4.884 -2.037 2.731 1.00 0.00 O ATOM 902 CB ALA A 62 -6.500 -3.365 -0.017 1.00 0.00 C ATOM 0 H ALA A 62 -4.217 -3.298 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.777 -1.415 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.291 -3.356 0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.903 -3.034 -0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.108 -4.377 -0.119 1.00 0.00 H new ATOM 908 N TYR A 63 -4.375 -4.063 1.897 1.00 0.00 N ATOM 909 CA TYR A 63 -3.845 -4.569 3.157 1.00 0.00 C ATOM 910 C TYR A 63 -2.441 -4.030 3.414 1.00 0.00 C ATOM 911 O TYR A 63 -2.172 -3.442 4.462 1.00 0.00 O ATOM 912 CB TYR A 63 -3.822 -6.099 3.147 1.00 0.00 C ATOM 913 CG TYR A 63 -5.100 -6.720 2.629 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.271 -6.977 1.275 1.00 0.00 C ATOM 915 CD2 TYR A 63 -6.135 -7.051 3.495 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.437 -7.544 0.798 1.00 0.00 C ATOM 917 CE2 TYR A 63 -7.304 -7.619 3.027 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.450 -7.863 1.677 1.00 0.00 C ATOM 919 OH TYR A 63 -8.613 -8.429 1.206 1.00 0.00 O ATOM 0 H TYR A 63 -4.342 -4.731 1.127 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.498 -4.227 3.960 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.988 -6.438 2.532 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.638 -6.458 4.160 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.479 -6.729 0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.024 -6.861 4.552 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.554 -7.736 -0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.099 -7.871 3.714 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.224 -8.593 1.955 1.00 0.00 H new ATOM 929 N ILE A 64 -1.550 -4.235 2.449 1.00 0.00 N ATOM 930 CA ILE A 64 -0.175 -3.768 2.569 1.00 0.00 C ATOM 931 C ILE A 64 -0.124 -2.265 2.818 1.00 0.00 C ATOM 932 O ILE A 64 -1.132 -1.570 2.696 1.00 0.00 O ATOM 933 CB ILE A 64 0.643 -4.096 1.305 1.00 0.00 C ATOM 934 CG1 ILE A 64 -0.020 -3.484 0.070 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.788 -5.602 1.144 1.00 0.00 C ATOM 936 CD1 ILE A 64 0.942 -3.233 -1.070 1.00 0.00 C ATOM 0 H ILE A 64 -1.756 -4.721 1.576 1.00 0.00 H new ATOM 0 HA ILE A 64 0.262 -4.289 3.421 1.00 0.00 H new ATOM 0 HB ILE A 64 1.638 -3.664 1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.813 -4.149 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.492 -2.542 0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.368 -5.818 0.247 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.299 -6.013 2.014 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.199 -6.055 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.403 -2.798 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.721 -2.544 -0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.396 -4.175 -1.377 1.00 0.00 H new ATOM 948 N GLY A 65 1.059 -1.768 3.167 1.00 0.00 N ATOM 949 CA GLY A 65 1.221 -0.349 3.426 1.00 0.00 C ATOM 950 C GLY A 65 1.489 0.444 2.163 1.00 0.00 C ATOM 951 O GLY A 65 1.432 -0.096 1.058 1.00 0.00 O ATOM 0 H GLY A 65 1.908 -2.323 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.321 0.034 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.044 -0.202 4.125 1.00 0.00 H new ATOM 955 N PHE A 66 1.782 1.730 2.325 1.00 0.00 N ATOM 956 CA PHE A 66 2.057 2.601 1.187 1.00 0.00 C ATOM 957 C PHE A 66 2.694 3.909 1.646 1.00 0.00 C ATOM 958 O PHE A 66 2.454 4.372 2.761 1.00 0.00 O ATOM 959 CB PHE A 66 0.768 2.890 0.416 1.00 0.00 C ATOM 960 CG PHE A 66 -0.323 3.471 1.268 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.283 4.800 1.659 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.390 2.688 1.678 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.286 5.336 2.444 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.397 3.219 2.463 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.344 4.545 2.846 1.00 0.00 C ATOM 0 H PHE A 66 1.835 2.192 3.233 1.00 0.00 H new ATOM 0 HA PHE A 66 2.758 2.088 0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.988 3.580 -0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.410 1.966 -0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.541 5.424 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.436 1.651 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.242 6.373 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.223 2.598 2.776 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.129 4.963 3.459 1.00 0.00 H new ATOM 975 N VAL A 67 3.508 4.501 0.777 1.00 0.00 N ATOM 976 CA VAL A 67 4.179 5.756 1.091 1.00 0.00 C ATOM 977 C VAL A 67 3.958 6.788 -0.009 1.00 0.00 C ATOM 978 O VAL A 67 4.200 6.518 -1.185 1.00 0.00 O ATOM 979 CB VAL A 67 5.693 5.549 1.288 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.390 6.883 1.506 1.00 0.00 C ATOM 981 CG2 VAL A 67 5.953 4.606 2.453 1.00 0.00 C ATOM 0 H VAL A 67 3.718 4.131 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 67 3.745 6.122 2.021 1.00 0.00 H new ATOM 0 HB VAL A 67 6.102 5.096 0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.459 6.717 1.643 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.231 7.523 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.981 7.367 2.393 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.027 4.470 2.579 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.532 5.029 3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.487 3.642 2.252 1.00 0.00 H new ATOM 991 N GLU A 68 3.496 7.972 0.381 1.00 0.00 N ATOM 992 CA GLU A 68 3.242 9.045 -0.573 1.00 0.00 C ATOM 993 C GLU A 68 4.509 9.855 -0.832 1.00 0.00 C ATOM 994 O GLU A 68 5.138 10.356 0.100 1.00 0.00 O ATOM 995 CB GLU A 68 2.132 9.964 -0.057 1.00 0.00 C ATOM 996 CG GLU A 68 2.085 11.312 -0.756 1.00 0.00 C ATOM 997 CD GLU A 68 0.900 12.153 -0.322 1.00 0.00 C ATOM 998 OE1 GLU A 68 0.912 12.647 0.825 1.00 0.00 O ATOM 999 OE2 GLU A 68 -0.039 12.317 -1.129 1.00 0.00 O ATOM 0 H GLU A 68 3.290 8.212 1.351 1.00 0.00 H new ATOM 0 HA GLU A 68 2.923 8.593 -1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.171 9.465 -0.183 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.271 10.123 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.007 11.856 -0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.040 11.157 -1.834 1.00 0.00 H new ATOM 1006 N GLU A 69 4.877 9.977 -2.103 1.00 0.00 N ATOM 1007 CA GLU A 69 6.069 10.725 -2.484 1.00 0.00 C ATOM 1008 C GLU A 69 5.997 11.156 -3.946 1.00 0.00 C ATOM 1009 O GLU A 69 5.790 10.334 -4.839 1.00 0.00 O ATOM 1010 CB GLU A 69 7.324 9.880 -2.252 1.00 0.00 C ATOM 1011 CG GLU A 69 8.603 10.545 -2.731 1.00 0.00 C ATOM 1012 CD GLU A 69 9.817 10.120 -1.929 1.00 0.00 C ATOM 1013 OE1 GLU A 69 9.652 9.767 -0.742 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.934 10.140 -2.488 1.00 0.00 O ATOM 0 H GLU A 69 4.367 9.568 -2.886 1.00 0.00 H new ATOM 0 HA GLU A 69 6.120 11.618 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.414 9.663 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.208 8.924 -2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.763 10.302 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.491 11.627 -2.668 1.00 0.00 H new ATOM 1021 N LYS A 70 6.169 12.452 -4.184 1.00 0.00 N ATOM 1022 CA LYS A 70 6.125 12.995 -5.536 1.00 0.00 C ATOM 1023 C LYS A 70 4.870 12.529 -6.269 1.00 0.00 C ATOM 1024 O LYS A 70 4.936 12.093 -7.417 1.00 0.00 O ATOM 1025 CB LYS A 70 7.371 12.573 -6.318 1.00 0.00 C ATOM 1026 CG LYS A 70 8.536 13.537 -6.172 1.00 0.00 C ATOM 1027 CD LYS A 70 9.459 13.483 -7.377 1.00 0.00 C ATOM 1028 CE LYS A 70 8.985 14.412 -8.485 1.00 0.00 C ATOM 1029 NZ LYS A 70 9.562 15.778 -8.347 1.00 0.00 N ATOM 0 H LYS A 70 6.340 13.146 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 70 6.100 14.082 -5.463 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.684 11.585 -5.981 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.114 12.484 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.157 14.551 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.099 13.295 -5.270 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.469 13.760 -7.076 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.508 12.461 -7.754 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.265 13.996 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.897 14.474 -8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.215 16.381 -9.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.275 16.186 -7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.600 15.723 -8.390 1.00 0.00 H new ATOM 1043 N GLY A 71 3.727 12.626 -5.596 1.00 0.00 N ATOM 1044 CA GLY A 71 2.474 12.213 -6.200 1.00 0.00 C ATOM 1045 C GLY A 71 2.490 10.760 -6.632 1.00 0.00 C ATOM 1046 O GLY A 71 2.210 10.446 -7.788 1.00 0.00 O ATOM 0 H GLY A 71 3.647 12.983 -4.644 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.663 12.369 -5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.266 12.844 -7.064 1.00 0.00 H new ATOM 1050 N ALA A 72 2.821 9.871 -5.700 1.00 0.00 N ATOM 1051 CA ALA A 72 2.873 8.444 -5.991 1.00 0.00 C ATOM 1052 C ALA A 72 2.937 7.624 -4.706 1.00 0.00 C ATOM 1053 O ALA A 72 3.694 7.946 -3.789 1.00 0.00 O ATOM 1054 CB ALA A 72 4.067 8.129 -6.880 1.00 0.00 C ATOM 0 H ALA A 72 3.057 10.114 -4.738 1.00 0.00 H new ATOM 0 HA ALA A 72 1.959 8.173 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.093 7.060 -7.089 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.979 8.680 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.986 8.422 -6.372 1.00 0.00 H new ATOM 1060 N LEU A 73 2.138 6.565 -4.646 1.00 0.00 N ATOM 1061 CA LEU A 73 2.103 5.699 -3.472 1.00 0.00 C ATOM 1062 C LEU A 73 2.885 4.413 -3.721 1.00 0.00 C ATOM 1063 O LEU A 73 2.592 3.667 -4.656 1.00 0.00 O ATOM 1064 CB LEU A 73 0.657 5.366 -3.102 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.218 6.548 -2.684 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.685 6.148 -2.669 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.208 7.070 -1.319 1.00 0.00 C ATOM 0 H LEU A 73 1.506 6.285 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 73 2.570 6.232 -2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.188 4.877 -3.956 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.669 4.642 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.088 7.347 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.292 7.002 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.984 5.823 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.832 5.332 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.425 7.911 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.108 6.276 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.247 7.397 -1.362 1.00 0.00 H new ATOM 1079 N TYR A 74 3.879 4.159 -2.878 1.00 0.00 N ATOM 1080 CA TYR A 74 4.704 2.963 -3.006 1.00 0.00 C ATOM 1081 C TYR A 74 4.486 2.022 -1.826 1.00 0.00 C ATOM 1082 O TYR A 74 4.570 2.430 -0.667 1.00 0.00 O ATOM 1083 CB TYR A 74 6.182 3.345 -3.102 1.00 0.00 C ATOM 1084 CG TYR A 74 6.484 4.319 -4.219 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.594 3.885 -5.534 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.661 5.672 -3.958 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.871 4.771 -6.557 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.937 6.565 -4.975 1.00 0.00 C ATOM 1089 CZ TYR A 74 7.041 6.110 -6.273 1.00 0.00 C ATOM 1090 OH TYR A 74 7.317 6.996 -7.289 1.00 0.00 O ATOM 0 H TYR A 74 4.134 4.765 -2.098 1.00 0.00 H new ATOM 0 HA TYR A 74 4.409 2.446 -3.919 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.498 3.782 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.773 2.441 -3.249 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.461 2.837 -5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.581 6.032 -2.943 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.954 4.417 -7.574 1.00 0.00 H new ATOM 0 HE2 TYR A 74 7.071 7.614 -4.755 1.00 0.00 H new ATOM 0 HH TYR A 74 7.406 7.899 -6.920 1.00 0.00 H new ATOM 1100 N CYS A 75 4.206 0.758 -2.129 1.00 0.00 N ATOM 1101 CA CYS A 75 3.976 -0.243 -1.095 1.00 0.00 C ATOM 1102 C CYS A 75 5.251 -0.507 -0.299 1.00 0.00 C ATOM 1103 O CYS A 75 6.345 -0.558 -0.861 1.00 0.00 O ATOM 1104 CB CYS A 75 3.473 -1.546 -1.720 1.00 0.00 C ATOM 1105 SG CYS A 75 4.660 -2.330 -2.859 1.00 0.00 S ATOM 0 H CYS A 75 4.133 0.403 -3.083 1.00 0.00 H new ATOM 0 HA CYS A 75 3.217 0.143 -0.414 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.231 -2.249 -0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.547 -1.345 -2.259 1.00 0.00 H new ATOM 0 HG CYS A 75 4.111 -2.469 -4.029 1.00 0.00 H new ATOM 1110 N GLU A 76 5.101 -0.675 1.011 1.00 0.00 N ATOM 1111 CA GLU A 76 6.241 -0.933 1.883 1.00 0.00 C ATOM 1112 C GLU A 76 7.297 -1.769 1.165 1.00 0.00 C ATOM 1113 O GLU A 76 8.497 -1.551 1.333 1.00 0.00 O ATOM 1114 CB GLU A 76 5.786 -1.649 3.156 1.00 0.00 C ATOM 1115 CG GLU A 76 5.097 -2.978 2.893 1.00 0.00 C ATOM 1116 CD GLU A 76 4.877 -3.781 4.160 1.00 0.00 C ATOM 1117 OE1 GLU A 76 4.624 -3.166 5.217 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.956 -5.026 4.095 1.00 0.00 O ATOM 0 H GLU A 76 4.202 -0.637 1.491 1.00 0.00 H new ATOM 0 HA GLU A 76 6.684 0.026 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.651 -1.818 3.797 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.105 -0.999 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.136 -2.796 2.411 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.697 -3.563 2.196 1.00 0.00 H new ATOM 1125 N LEU A 77 6.841 -2.727 0.366 1.00 0.00 N ATOM 1126 CA LEU A 77 7.745 -3.597 -0.378 1.00 0.00 C ATOM 1127 C LEU A 77 8.646 -2.785 -1.302 1.00 0.00 C ATOM 1128 O LEU A 77 9.872 -2.852 -1.208 1.00 0.00 O ATOM 1129 CB LEU A 77 6.947 -4.618 -1.192 1.00 0.00 C ATOM 1130 CG LEU A 77 6.412 -5.824 -0.419 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.323 -6.527 -1.213 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.542 -6.788 -0.088 1.00 0.00 C ATOM 0 H LEU A 77 5.851 -2.921 0.217 1.00 0.00 H new ATOM 0 HA LEU A 77 8.374 -4.125 0.339 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.104 -4.105 -1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.580 -4.982 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 77 5.978 -5.469 0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.955 -7.383 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.502 -5.834 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.730 -6.870 -2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.144 -7.640 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.005 -7.136 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.288 -6.279 0.522 1.00 0.00 H new ATOM 1144 N CYS A 78 8.030 -2.016 -2.194 1.00 0.00 N ATOM 1145 CA CYS A 78 8.775 -1.188 -3.135 1.00 0.00 C ATOM 1146 C CYS A 78 9.740 -0.263 -2.399 1.00 0.00 C ATOM 1147 O CYS A 78 10.952 -0.316 -2.613 1.00 0.00 O ATOM 1148 CB CYS A 78 7.814 -0.362 -3.992 1.00 0.00 C ATOM 1149 SG CYS A 78 6.962 -1.321 -5.286 1.00 0.00 S ATOM 0 H CYS A 78 7.016 -1.949 -2.285 1.00 0.00 H new ATOM 0 HA CYS A 78 9.353 -1.848 -3.782 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.068 0.096 -3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.369 0.450 -4.462 1.00 0.00 H new ATOM 0 HG CYS A 78 5.971 -1.977 -4.759 1.00 0.00 H new ATOM 1154 N TYR A 79 9.195 0.583 -1.532 1.00 0.00 N ATOM 1155 CA TYR A 79 10.007 1.521 -0.767 1.00 0.00 C ATOM 1156 C TYR A 79 11.136 0.798 -0.039 1.00 0.00 C ATOM 1157 O TYR A 79 12.301 1.178 -0.146 1.00 0.00 O ATOM 1158 CB TYR A 79 9.138 2.276 0.241 1.00 0.00 C ATOM 1159 CG TYR A 79 9.933 3.026 1.285 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.596 2.349 2.301 1.00 0.00 C ATOM 1161 CD2 TYR A 79 10.023 4.413 1.254 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.323 3.031 3.257 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.750 5.103 2.206 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.397 4.407 3.205 1.00 0.00 C ATOM 1165 OH TYR A 79 12.122 5.090 4.155 1.00 0.00 O ATOM 0 H TYR A 79 8.194 0.638 -1.342 1.00 0.00 H new ATOM 0 HA TYR A 79 10.447 2.234 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.503 2.981 -0.296 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.477 1.568 0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.542 1.271 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.516 4.961 0.473 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.831 2.489 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.811 6.181 2.167 1.00 0.00 H new ATOM 0 HH TYR A 79 12.073 6.052 3.974 1.00 0.00 H new ATOM 1175 N GLU A 80 10.780 -0.248 0.701 1.00 0.00 N ATOM 1176 CA GLU A 80 11.762 -1.026 1.446 1.00 0.00 C ATOM 1177 C GLU A 80 12.809 -1.622 0.509 1.00 0.00 C ATOM 1178 O GLU A 80 13.929 -1.923 0.922 1.00 0.00 O ATOM 1179 CB GLU A 80 11.072 -2.141 2.233 1.00 0.00 C ATOM 1180 CG GLU A 80 12.011 -2.915 3.143 1.00 0.00 C ATOM 1181 CD GLU A 80 11.463 -4.277 3.525 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.362 -5.146 2.633 1.00 0.00 O ATOM 1183 OE2 GLU A 80 11.136 -4.474 4.713 1.00 0.00 O ATOM 0 H GLU A 80 9.819 -0.575 0.800 1.00 0.00 H new ATOM 0 HA GLU A 80 12.264 -0.356 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.272 -1.709 2.834 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.606 -2.834 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.972 -3.041 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.195 -2.335 4.047 1.00 0.00 H new ATOM 1190 N LYS A 81 12.436 -1.790 -0.755 1.00 0.00 N ATOM 1191 CA LYS A 81 13.340 -2.349 -1.752 1.00 0.00 C ATOM 1192 C LYS A 81 14.199 -1.256 -2.381 1.00 0.00 C ATOM 1193 O LYS A 81 15.341 -1.499 -2.773 1.00 0.00 O ATOM 1194 CB LYS A 81 12.546 -3.077 -2.839 1.00 0.00 C ATOM 1195 CG LYS A 81 12.313 -4.548 -2.539 1.00 0.00 C ATOM 1196 CD LYS A 81 11.505 -5.219 -3.638 1.00 0.00 C ATOM 1197 CE LYS A 81 11.154 -6.654 -3.274 1.00 0.00 C ATOM 1198 NZ LYS A 81 9.967 -7.143 -4.028 1.00 0.00 N ATOM 0 H LYS A 81 11.513 -1.547 -1.113 1.00 0.00 H new ATOM 0 HA LYS A 81 13.997 -3.061 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.582 -2.583 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.077 -2.988 -3.787 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.272 -5.055 -2.430 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.790 -4.648 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.590 -4.653 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.073 -5.207 -4.568 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.007 -7.300 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.957 -6.719 -2.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.760 -8.124 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.146 -6.542 -3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.164 -7.105 -5.048 1.00 0.00 H new ATOM 1212 N PHE A 82 13.643 -0.053 -2.474 1.00 0.00 N ATOM 1213 CA PHE A 82 14.359 1.077 -3.055 1.00 0.00 C ATOM 1214 C PHE A 82 14.974 1.950 -1.964 1.00 0.00 C ATOM 1215 O PHE A 82 16.192 2.113 -1.898 1.00 0.00 O ATOM 1216 CB PHE A 82 13.416 1.914 -3.922 1.00 0.00 C ATOM 1217 CG PHE A 82 12.838 1.155 -5.082 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.650 0.721 -6.118 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.482 0.875 -5.137 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.120 0.024 -7.187 1.00 0.00 C ATOM 1221 CE2 PHE A 82 10.946 0.177 -6.203 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.767 -0.250 -7.229 1.00 0.00 C ATOM 0 H PHE A 82 12.699 0.165 -2.155 1.00 0.00 H new ATOM 0 HA PHE A 82 15.162 0.685 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.602 2.290 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.956 2.782 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.709 0.930 -6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.836 1.206 -4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.763 -0.306 -7.989 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.887 -0.034 -6.234 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.351 -0.797 -8.062 1.00 0.00 H new ATOM 1232 N PHE A 83 14.122 2.509 -1.112 1.00 0.00 N ATOM 1233 CA PHE A 83 14.579 3.367 -0.025 1.00 0.00 C ATOM 1234 C PHE A 83 15.534 2.614 0.897 1.00 0.00 C ATOM 1235 O PHE A 83 16.745 2.834 0.867 1.00 0.00 O ATOM 1236 CB PHE A 83 13.386 3.892 0.776 1.00 0.00 C ATOM 1237 CG PHE A 83 12.842 5.193 0.258 1.00 0.00 C ATOM 1238 CD1 PHE A 83 12.305 5.276 -1.016 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.868 6.332 1.046 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.803 6.471 -1.495 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.367 7.530 0.572 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.835 7.600 -0.700 1.00 0.00 C ATOM 0 H PHE A 83 13.111 2.383 -1.153 1.00 0.00 H new ATOM 0 HA PHE A 83 15.113 4.211 -0.462 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.593 3.145 0.763 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.685 4.021 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 83 12.278 4.397 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.284 6.284 2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.386 6.522 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.392 8.411 1.196 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.445 8.536 -1.073 1.00 0.00 H new ATOM 1252 N ALA A 84 14.979 1.726 1.715 1.00 0.00 N ATOM 1253 CA ALA A 84 15.780 0.939 2.645 1.00 0.00 C ATOM 1254 C ALA A 84 16.902 0.205 1.918 1.00 0.00 C ATOM 1255 O ALA A 84 18.066 0.594 1.999 1.00 0.00 O ATOM 1256 CB ALA A 84 14.899 -0.049 3.395 1.00 0.00 C ATOM 0 H ALA A 84 13.978 1.533 1.753 1.00 0.00 H new ATOM 0 HA ALA A 84 16.234 1.622 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.510 -0.630 4.086 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.137 0.494 3.954 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.418 -0.720 2.684 1.00 0.00 H new