USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=16 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 144:sc= 0.919 USER MOD Set 1.2: A 57 CYS SG : rot -63:sc= -1.04 USER MOD Set 1.3: A 59 ASN : amide:sc= -0.568 K(o=-0.23,f=-2.6) USER MOD Set 1.4: A 75 CYS SG : rot -121:sc= -0.218 USER MOD Set 1.5: A 78 CYS SG : rot 83:sc= 0.676 USER MOD Set 2.1: A 28 CYS SG : rot 135:sc= 1.25 USER MOD Set 2.2: A 31 CYS SG : rot -63:sc= -1.49 USER MOD Set 2.3: A 48 HIS : no HD1:sc= -0.0473 K(o=-0.29,f=-3.1) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= 0.747 K(o=0.75,f=-2.4!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 64:sc= 0.0572 USER MOD Single : A 27 MET CE :methyl -169:sc= 0 (180deg=-0.0886) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.386 X(o=-0.39,f=-0.39) USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.0959 (180deg=-0.45) USER MOD Single : A 46 SER OG : rot -150:sc= -0.285 USER MOD Single : A 53 ASN : amide:sc= -2.51! C(o=-2.5!,f=-4!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -123:sc= -0.997 (180deg=-5.65!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= -0.198 (180deg=-1.27) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 141:sc= 0.167 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.807 5.411 8.253 1.00 0.00 N ATOM 122 CA LEU A 12 7.000 6.373 7.510 1.00 0.00 C ATOM 123 C LEU A 12 5.834 5.681 6.812 1.00 0.00 C ATOM 124 O LEU A 12 4.849 6.322 6.443 1.00 0.00 O ATOM 125 CB LEU A 12 7.864 7.104 6.481 1.00 0.00 C ATOM 126 CG LEU A 12 8.012 6.420 5.121 1.00 0.00 C ATOM 127 CD1 LEU A 12 8.650 7.365 4.115 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.833 5.145 5.253 1.00 0.00 C ATOM 0 HA LEU A 12 6.597 7.097 8.218 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.443 8.097 6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.858 7.244 6.905 1.00 0.00 H new ATOM 0 HG LEU A 12 7.019 6.154 4.759 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.747 6.861 3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.024 8.250 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.637 7.662 4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.929 4.671 4.276 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.824 5.388 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.335 4.461 5.941 1.00 0.00 H new ATOM 140 N VAL A 13 5.950 4.369 6.636 1.00 0.00 N ATOM 141 CA VAL A 13 4.903 3.589 5.986 1.00 0.00 C ATOM 142 C VAL A 13 3.584 3.701 6.742 1.00 0.00 C ATOM 143 O VAL A 13 3.552 3.612 7.969 1.00 0.00 O ATOM 144 CB VAL A 13 5.295 2.103 5.878 1.00 0.00 C ATOM 145 CG1 VAL A 13 4.076 1.251 5.563 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.376 1.914 4.823 1.00 0.00 C ATOM 0 H VAL A 13 6.759 3.823 6.934 1.00 0.00 H new ATOM 0 HA VAL A 13 4.780 3.999 4.984 1.00 0.00 H new ATOM 0 HB VAL A 13 5.696 1.779 6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.372 0.205 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.338 1.365 6.357 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.643 1.572 4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.642 0.859 4.759 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.004 2.254 3.856 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.257 2.494 5.097 1.00 0.00 H new ATOM 156 N GLN A 14 2.498 3.896 6.001 1.00 0.00 N ATOM 157 CA GLN A 14 1.176 4.020 6.603 1.00 0.00 C ATOM 158 C GLN A 14 0.281 2.853 6.197 1.00 0.00 C ATOM 159 O GLN A 14 0.692 1.981 5.432 1.00 0.00 O ATOM 160 CB GLN A 14 0.527 5.343 6.190 1.00 0.00 C ATOM 161 CG GLN A 14 1.367 6.564 6.528 1.00 0.00 C ATOM 162 CD GLN A 14 0.598 7.861 6.376 1.00 0.00 C ATOM 163 OE1 GLN A 14 -0.020 8.344 7.325 1.00 0.00 O ATOM 164 NE2 GLN A 14 0.634 8.434 5.178 1.00 0.00 N ATOM 0 H GLN A 14 2.508 3.971 4.984 1.00 0.00 H new ATOM 0 HA GLN A 14 1.295 4.003 7.686 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.340 5.327 5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.442 5.432 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.729 6.479 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.244 6.588 5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.159 7.998 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.137 9.310 5.016 1.00 0.00 H new ATOM 173 N ARG A 15 -0.942 2.844 6.715 1.00 0.00 N ATOM 174 CA ARG A 15 -1.894 1.784 6.408 1.00 0.00 C ATOM 175 C ARG A 15 -3.318 2.330 6.354 1.00 0.00 C ATOM 176 O ARG A 15 -3.799 2.932 7.313 1.00 0.00 O ATOM 177 CB ARG A 15 -1.803 0.669 7.452 1.00 0.00 C ATOM 178 CG ARG A 15 -0.602 -0.243 7.265 1.00 0.00 C ATOM 179 CD ARG A 15 -0.407 -1.159 8.464 1.00 0.00 C ATOM 180 NE ARG A 15 0.964 -1.654 8.557 1.00 0.00 N ATOM 181 CZ ARG A 15 1.504 -2.114 9.680 1.00 0.00 C ATOM 182 NH1 ARG A 15 0.793 -2.143 10.798 1.00 0.00 N ATOM 183 NH2 ARG A 15 2.759 -2.546 9.686 1.00 0.00 N ATOM 0 H ARG A 15 -1.297 3.559 7.350 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.642 1.377 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.758 1.116 8.445 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.713 0.070 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.736 -0.843 6.365 1.00 0.00 H new ATOM 0 HG3 ARG A 15 0.294 0.359 7.116 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.661 -0.620 9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.093 -2.003 8.391 1.00 0.00 H new ATOM 0 HE ARG A 15 1.538 -1.646 7.714 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.172 -1.812 10.798 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.210 -2.497 11.659 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.310 -2.525 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.173 -2.899 10.549 1.00 0.00 H new ATOM 197 N ALA A 16 -3.987 2.114 5.226 1.00 0.00 N ATOM 198 CA ALA A 16 -5.355 2.583 5.047 1.00 0.00 C ATOM 199 C ALA A 16 -6.301 1.902 6.030 1.00 0.00 C ATOM 200 O ALA A 16 -6.054 0.778 6.466 1.00 0.00 O ATOM 201 CB ALA A 16 -5.814 2.342 3.617 1.00 0.00 C ATOM 0 H ALA A 16 -3.603 1.617 4.422 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.374 3.654 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.838 2.697 3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.161 2.880 2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.773 1.275 3.396 1.00 0.00 H new ATOM 207 N GLU A 17 -7.385 2.591 6.376 1.00 0.00 N ATOM 208 CA GLU A 17 -8.367 2.051 7.309 1.00 0.00 C ATOM 209 C GLU A 17 -9.552 1.447 6.562 1.00 0.00 C ATOM 210 O GLU A 17 -10.322 2.159 5.916 1.00 0.00 O ATOM 211 CB GLU A 17 -8.854 3.146 8.261 1.00 0.00 C ATOM 212 CG GLU A 17 -9.344 2.616 9.598 1.00 0.00 C ATOM 213 CD GLU A 17 -9.386 3.687 10.670 1.00 0.00 C ATOM 214 OE1 GLU A 17 -9.657 4.858 10.328 1.00 0.00 O ATOM 215 OE2 GLU A 17 -9.147 3.357 11.850 1.00 0.00 O ATOM 0 H GLU A 17 -7.605 3.523 6.024 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.886 1.263 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.042 3.852 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.661 3.700 7.782 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.341 2.193 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.692 1.806 9.924 1.00 0.00 H new ATOM 222 N HIS A 18 -9.693 0.129 6.656 1.00 0.00 N ATOM 223 CA HIS A 18 -10.785 -0.573 5.989 1.00 0.00 C ATOM 224 C HIS A 18 -12.135 -0.118 6.534 1.00 0.00 C ATOM 225 O HIS A 18 -12.391 -0.205 7.736 1.00 0.00 O ATOM 226 CB HIS A 18 -10.632 -2.084 6.167 1.00 0.00 C ATOM 227 CG HIS A 18 -9.503 -2.669 5.376 1.00 0.00 C ATOM 228 ND1 HIS A 18 -9.687 -3.604 4.380 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.170 -2.445 5.438 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.516 -3.932 3.864 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.579 -3.242 4.488 1.00 0.00 N ATOM 0 H HIS A 18 -9.066 -0.475 7.187 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.743 -0.335 4.926 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.476 -2.303 7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.561 -2.572 5.874 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.665 -1.766 6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.353 -4.643 3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.579 -3.293 4.296 1.00 0.00 H new ATOM 240 N ILE A 19 -12.995 0.366 5.644 1.00 0.00 N ATOM 241 CA ILE A 19 -14.318 0.834 6.037 1.00 0.00 C ATOM 242 C ILE A 19 -15.412 -0.042 5.434 1.00 0.00 C ATOM 243 O ILE A 19 -15.492 -0.231 4.220 1.00 0.00 O ATOM 244 CB ILE A 19 -14.550 2.294 5.606 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.511 3.211 6.253 1.00 0.00 C ATOM 246 CG2 ILE A 19 -15.958 2.737 5.974 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.578 3.230 7.764 1.00 0.00 C ATOM 0 H ILE A 19 -12.799 0.444 4.646 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.364 0.773 7.124 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.441 2.360 4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.515 2.892 5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.650 4.225 5.879 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.107 3.771 5.663 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.684 2.098 5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.094 2.659 7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.813 3.901 8.154 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.561 3.578 8.080 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.408 2.224 8.148 1.00 0.00 H new ATOM 259 N PRO A 20 -16.276 -0.590 6.302 1.00 0.00 N ATOM 260 CA PRO A 20 -17.382 -1.453 5.878 1.00 0.00 C ATOM 261 C PRO A 20 -18.467 -0.683 5.133 1.00 0.00 C ATOM 262 O PRO A 20 -18.515 0.546 5.185 1.00 0.00 O ATOM 263 CB PRO A 20 -17.928 -2.004 7.198 1.00 0.00 C ATOM 264 CG PRO A 20 -17.552 -0.985 8.218 1.00 0.00 C ATOM 265 CD PRO A 20 -16.240 -0.408 7.763 1.00 0.00 C ATOM 0 HA PRO A 20 -17.053 -2.224 5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -19.009 -2.140 7.154 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.494 -2.976 7.431 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.314 -0.209 8.294 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.458 -1.437 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.148 0.643 8.035 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.394 -0.929 8.212 1.00 0.00 H new ATOM 273 N ALA A 21 -19.336 -1.412 4.442 1.00 0.00 N ATOM 274 CA ALA A 21 -20.421 -0.797 3.689 1.00 0.00 C ATOM 275 C ALA A 21 -21.479 -0.219 4.623 1.00 0.00 C ATOM 276 O ALA A 21 -21.551 -0.583 5.796 1.00 0.00 O ATOM 277 CB ALA A 21 -21.047 -1.810 2.741 1.00 0.00 C ATOM 0 H ALA A 21 -19.310 -2.430 4.388 1.00 0.00 H new ATOM 0 HA ALA A 21 -20.004 0.022 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.856 -1.336 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.291 -2.172 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.443 -2.648 3.314 1.00 0.00 H new ATOM 283 N GLY A 22 -22.300 0.684 4.094 1.00 0.00 N ATOM 284 CA GLY A 22 -23.343 1.297 4.895 1.00 0.00 C ATOM 285 C GLY A 22 -22.812 2.396 5.794 1.00 0.00 C ATOM 286 O GLY A 22 -23.371 3.492 5.845 1.00 0.00 O ATOM 0 H GLY A 22 -22.261 1.001 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.108 1.708 4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.825 0.533 5.505 1.00 0.00 H new ATOM 290 N LYS A 23 -21.730 2.103 6.508 1.00 0.00 N ATOM 291 CA LYS A 23 -21.123 3.074 7.411 1.00 0.00 C ATOM 292 C LYS A 23 -20.848 4.390 6.690 1.00 0.00 C ATOM 293 O LYS A 23 -21.056 5.468 7.247 1.00 0.00 O ATOM 294 CB LYS A 23 -19.821 2.516 7.991 1.00 0.00 C ATOM 295 CG LYS A 23 -19.008 3.544 8.759 1.00 0.00 C ATOM 296 CD LYS A 23 -19.377 3.558 10.233 1.00 0.00 C ATOM 297 CE LYS A 23 -18.718 4.719 10.962 1.00 0.00 C ATOM 298 NZ LYS A 23 -19.540 5.958 10.888 1.00 0.00 N ATOM 0 H LYS A 23 -21.255 1.201 6.479 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.824 3.265 8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.056 1.682 8.653 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.213 2.117 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.946 3.324 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.174 4.533 8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -20.460 3.629 10.337 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.073 2.618 10.694 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.560 4.450 12.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.735 4.909 10.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.057 6.726 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.670 6.230 9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.469 5.785 11.323 1.00 0.00 H new ATOM 312 N ARG A 24 -20.382 4.294 5.449 1.00 0.00 N ATOM 313 CA ARG A 24 -20.080 5.477 4.653 1.00 0.00 C ATOM 314 C ARG A 24 -20.002 5.129 3.170 1.00 0.00 C ATOM 315 O ARG A 24 -19.456 4.092 2.791 1.00 0.00 O ATOM 316 CB ARG A 24 -18.761 6.103 5.111 1.00 0.00 C ATOM 317 CG ARG A 24 -18.935 7.200 6.149 1.00 0.00 C ATOM 318 CD ARG A 24 -17.856 8.263 6.022 1.00 0.00 C ATOM 319 NE ARG A 24 -18.317 9.569 6.488 1.00 0.00 N ATOM 320 CZ ARG A 24 -19.028 10.406 5.742 1.00 0.00 C ATOM 321 NH1 ARG A 24 -19.360 10.077 4.501 1.00 0.00 N ATOM 322 NH2 ARG A 24 -19.411 11.577 6.237 1.00 0.00 N ATOM 0 H ARG A 24 -20.205 3.409 4.973 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.886 6.197 4.798 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.122 5.322 5.524 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.243 6.514 4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.916 7.660 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.903 6.765 7.148 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.980 7.961 6.597 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.543 8.339 4.981 1.00 0.00 H new ATOM 0 HE ARG A 24 -18.080 9.853 7.438 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.069 9.178 4.116 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.906 10.723 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -19.159 11.834 7.191 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -19.957 12.219 5.663 1.00 0.00 H new ATOM 336 N THR A 25 -20.553 6.002 2.332 1.00 0.00 N ATOM 337 CA THR A 25 -20.548 5.787 0.891 1.00 0.00 C ATOM 338 C THR A 25 -20.101 7.042 0.149 1.00 0.00 C ATOM 339 O THR A 25 -20.842 7.616 -0.650 1.00 0.00 O ATOM 340 CB THR A 25 -21.940 5.371 0.380 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.931 6.287 0.857 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.285 3.961 0.836 1.00 0.00 C ATOM 0 H THR A 25 -21.009 6.865 2.628 1.00 0.00 H new ATOM 0 HA THR A 25 -19.841 4.981 0.695 1.00 0.00 H new ATOM 0 HB THR A 25 -21.923 5.390 -0.710 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.761 7.177 0.483 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.273 3.689 0.463 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.545 3.262 0.447 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.285 3.921 1.925 1.00 0.00 H new ATOM 350 N PRO A 26 -18.862 7.478 0.416 1.00 0.00 N ATOM 351 CA PRO A 26 -18.288 8.669 -0.217 1.00 0.00 C ATOM 352 C PRO A 26 -17.999 8.455 -1.699 1.00 0.00 C ATOM 353 O PRO A 26 -18.105 7.339 -2.207 1.00 0.00 O ATOM 354 CB PRO A 26 -16.985 8.890 0.555 1.00 0.00 C ATOM 355 CG PRO A 26 -16.623 7.543 1.078 1.00 0.00 C ATOM 356 CD PRO A 26 -17.924 6.843 1.357 1.00 0.00 C ATOM 0 HA PRO A 26 -18.970 9.518 -0.180 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -16.203 9.287 -0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.121 9.606 1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -16.030 6.989 0.351 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -16.022 7.625 1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.848 5.769 1.185 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -18.239 6.978 2.392 1.00 0.00 H new ATOM 364 N MET A 27 -17.633 9.532 -2.387 1.00 0.00 N ATOM 365 CA MET A 27 -17.326 9.460 -3.811 1.00 0.00 C ATOM 366 C MET A 27 -15.838 9.215 -4.036 1.00 0.00 C ATOM 367 O MET A 27 -14.994 9.960 -3.536 1.00 0.00 O ATOM 368 CB MET A 27 -17.754 10.751 -4.512 1.00 0.00 C ATOM 369 CG MET A 27 -18.132 10.554 -5.971 1.00 0.00 C ATOM 370 SD MET A 27 -19.341 11.762 -6.545 1.00 0.00 S ATOM 371 CE MET A 27 -20.727 10.695 -6.933 1.00 0.00 C ATOM 0 H MET A 27 -17.542 10.464 -1.982 1.00 0.00 H new ATOM 0 HA MET A 27 -17.881 8.623 -4.235 1.00 0.00 H new ATOM 0 HB2 MET A 27 -18.603 11.179 -3.980 1.00 0.00 H new ATOM 0 HB3 MET A 27 -16.941 11.475 -4.450 1.00 0.00 H new ATOM 0 HG2 MET A 27 -17.235 10.622 -6.587 1.00 0.00 H new ATOM 0 HG3 MET A 27 -18.535 9.550 -6.105 1.00 0.00 H new ATOM 0 HE1 MET A 27 -21.480 11.262 -7.480 1.00 0.00 H new ATOM 0 HE2 MET A 27 -20.384 9.861 -7.546 1.00 0.00 H new ATOM 0 HE3 MET A 27 -21.161 10.312 -6.009 1.00 0.00 H new ATOM 381 N CYS A 28 -15.522 8.168 -4.789 1.00 0.00 N ATOM 382 CA CYS A 28 -14.135 7.824 -5.079 1.00 0.00 C ATOM 383 C CYS A 28 -13.359 9.049 -5.554 1.00 0.00 C ATOM 384 O CYS A 28 -13.939 10.104 -5.808 1.00 0.00 O ATOM 385 CB CYS A 28 -14.072 6.723 -6.140 1.00 0.00 C ATOM 386 SG CYS A 28 -12.552 5.720 -6.081 1.00 0.00 S ATOM 0 H CYS A 28 -16.208 7.542 -5.210 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.677 7.460 -4.160 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.933 6.066 -6.018 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -14.156 7.179 -7.127 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.858 4.461 -6.192 1.00 0.00 H new ATOM 391 N ALA A 29 -12.044 8.899 -5.673 1.00 0.00 N ATOM 392 CA ALA A 29 -11.188 9.992 -6.120 1.00 0.00 C ATOM 393 C ALA A 29 -10.736 9.780 -7.561 1.00 0.00 C ATOM 394 O ALA A 29 -10.781 10.701 -8.378 1.00 0.00 O ATOM 395 CB ALA A 29 -9.983 10.128 -5.201 1.00 0.00 C ATOM 0 H ALA A 29 -11.548 8.032 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.767 10.915 -6.080 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.353 10.947 -5.546 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.321 10.334 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.411 9.200 -5.212 1.00 0.00 H new ATOM 401 N HIS A 30 -10.298 8.563 -7.866 1.00 0.00 N ATOM 402 CA HIS A 30 -9.837 8.231 -9.210 1.00 0.00 C ATOM 403 C HIS A 30 -11.011 8.144 -10.181 1.00 0.00 C ATOM 404 O HIS A 30 -11.106 8.926 -11.127 1.00 0.00 O ATOM 405 CB HIS A 30 -9.072 6.907 -9.197 1.00 0.00 C ATOM 406 CG HIS A 30 -8.668 6.436 -10.559 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.718 7.076 -11.326 1.00 0.00 N ATOM 408 CD2 HIS A 30 -9.089 5.378 -11.291 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.574 6.434 -12.472 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.395 5.399 -12.476 1.00 0.00 N ATOM 0 H HIS A 30 -10.252 7.790 -7.201 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.169 9.025 -9.545 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.180 7.018 -8.581 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.691 6.143 -8.726 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.833 4.652 -10.998 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.900 6.709 -13.270 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.497 4.725 -13.235 1.00 0.00 H new ATOM 419 N CYS A 31 -11.901 7.188 -9.941 1.00 0.00 N ATOM 420 CA CYS A 31 -13.068 6.997 -10.795 1.00 0.00 C ATOM 421 C CYS A 31 -14.141 8.038 -10.489 1.00 0.00 C ATOM 422 O CYS A 31 -15.039 8.274 -11.296 1.00 0.00 O ATOM 423 CB CYS A 31 -13.638 5.590 -10.608 1.00 0.00 C ATOM 424 SG CYS A 31 -14.424 5.315 -8.987 1.00 0.00 S ATOM 0 H CYS A 31 -11.837 6.533 -9.162 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.753 7.119 -11.831 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -14.371 5.399 -11.392 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.835 4.864 -10.738 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.534 5.434 -8.047 1.00 0.00 H new ATOM 429 N ASN A 32 -14.041 8.657 -9.317 1.00 0.00 N ATOM 430 CA ASN A 32 -15.003 9.672 -8.904 1.00 0.00 C ATOM 431 C ASN A 32 -16.423 9.113 -8.915 1.00 0.00 C ATOM 432 O ASN A 32 -17.350 9.759 -9.400 1.00 0.00 O ATOM 433 CB ASN A 32 -14.916 10.891 -9.824 1.00 0.00 C ATOM 434 CG ASN A 32 -15.736 12.060 -9.313 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.543 12.525 -8.190 1.00 0.00 O ATOM 436 ND2 ASN A 32 -16.659 12.541 -10.139 1.00 0.00 N ATOM 0 H ASN A 32 -13.304 8.473 -8.637 1.00 0.00 H new ATOM 0 HA ASN A 32 -14.759 9.975 -7.886 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.874 11.196 -9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.262 10.616 -10.821 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.242 13.327 -9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.785 12.124 -11.062 1.00 0.00 H new ATOM 443 N GLN A 33 -16.582 7.908 -8.377 1.00 0.00 N ATOM 444 CA GLN A 33 -17.889 7.262 -8.325 1.00 0.00 C ATOM 445 C GLN A 33 -18.272 6.923 -6.889 1.00 0.00 C ATOM 446 O GLN A 33 -17.441 6.462 -6.106 1.00 0.00 O ATOM 447 CB GLN A 33 -17.887 5.992 -9.178 1.00 0.00 C ATOM 448 CG GLN A 33 -17.633 6.251 -10.655 1.00 0.00 C ATOM 449 CD GLN A 33 -18.907 6.535 -11.426 1.00 0.00 C ATOM 450 OE1 GLN A 33 -19.576 7.541 -11.192 1.00 0.00 O ATOM 451 NE2 GLN A 33 -19.249 5.646 -12.351 1.00 0.00 N ATOM 0 H GLN A 33 -15.823 7.360 -7.971 1.00 0.00 H new ATOM 0 HA GLN A 33 -18.627 7.958 -8.723 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -17.123 5.312 -8.800 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.847 5.488 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.953 7.097 -10.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.134 5.385 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.664 4.826 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -20.097 5.783 -12.901 1.00 0.00 H new ATOM 460 N VAL A 34 -19.536 7.155 -6.548 1.00 0.00 N ATOM 461 CA VAL A 34 -20.030 6.874 -5.205 1.00 0.00 C ATOM 462 C VAL A 34 -19.746 5.430 -4.807 1.00 0.00 C ATOM 463 O VAL A 34 -20.015 4.501 -5.568 1.00 0.00 O ATOM 464 CB VAL A 34 -21.544 7.136 -5.098 1.00 0.00 C ATOM 465 CG1 VAL A 34 -22.285 6.463 -6.243 1.00 0.00 C ATOM 466 CG2 VAL A 34 -22.073 6.656 -3.755 1.00 0.00 C ATOM 0 H VAL A 34 -20.237 7.537 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 34 -19.504 7.546 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.715 8.210 -5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -23.353 6.659 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.924 6.859 -7.192 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -22.109 5.388 -6.208 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -23.144 6.849 -3.696 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.891 5.586 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.564 7.189 -2.952 1.00 0.00 H new ATOM 476 N ILE A 35 -19.200 5.250 -3.608 1.00 0.00 N ATOM 477 CA ILE A 35 -18.881 3.918 -3.108 1.00 0.00 C ATOM 478 C ILE A 35 -20.026 3.356 -2.272 1.00 0.00 C ATOM 479 O ILE A 35 -20.359 3.894 -1.215 1.00 0.00 O ATOM 480 CB ILE A 35 -17.597 3.930 -2.258 1.00 0.00 C ATOM 481 CG1 ILE A 35 -16.442 4.548 -3.047 1.00 0.00 C ATOM 482 CG2 ILE A 35 -17.245 2.518 -1.811 1.00 0.00 C ATOM 483 CD1 ILE A 35 -15.414 5.235 -2.176 1.00 0.00 C ATOM 0 H ILE A 35 -18.970 6.009 -2.966 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.725 3.282 -3.979 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.772 4.539 -1.371 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.951 3.767 -3.628 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.844 5.269 -3.759 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -16.335 2.542 -1.211 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -18.062 2.111 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -17.086 1.888 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.625 5.650 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.891 6.038 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.984 4.513 -1.482 1.00 0.00 H new ATOM 495 N ARG A 36 -20.624 2.271 -2.751 1.00 0.00 N ATOM 496 CA ARG A 36 -21.732 1.635 -2.048 1.00 0.00 C ATOM 497 C ARG A 36 -21.217 0.652 -1.001 1.00 0.00 C ATOM 498 O ARG A 36 -21.675 0.650 0.141 1.00 0.00 O ATOM 499 CB ARG A 36 -22.644 0.910 -3.039 1.00 0.00 C ATOM 500 CG ARG A 36 -23.496 1.847 -3.880 1.00 0.00 C ATOM 501 CD ARG A 36 -24.584 1.091 -4.626 1.00 0.00 C ATOM 502 NE ARG A 36 -25.626 1.984 -5.127 1.00 0.00 N ATOM 503 CZ ARG A 36 -26.421 1.685 -6.148 1.00 0.00 C ATOM 504 NH1 ARG A 36 -26.295 0.523 -6.774 1.00 0.00 N ATOM 505 NH2 ARG A 36 -27.346 2.550 -6.546 1.00 0.00 N ATOM 0 H ARG A 36 -20.360 1.813 -3.623 1.00 0.00 H new ATOM 0 HA ARG A 36 -22.304 2.413 -1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -22.033 0.296 -3.701 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -23.298 0.233 -2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.950 2.602 -3.238 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.863 2.374 -4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.141 0.547 -5.460 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.030 0.350 -3.963 1.00 0.00 H new ATOM 0 HE ARG A 36 -25.750 2.886 -4.668 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -25.586 -0.145 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -26.907 0.297 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -27.447 3.445 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -27.956 2.319 -7.330 1.00 0.00 H new ATOM 519 N GLY A 37 -20.263 -0.185 -1.399 1.00 0.00 N ATOM 520 CA GLY A 37 -19.703 -1.161 -0.483 1.00 0.00 C ATOM 521 C GLY A 37 -18.578 -0.590 0.357 1.00 0.00 C ATOM 522 O GLY A 37 -18.458 0.623 0.530 1.00 0.00 O ATOM 0 H GLY A 37 -19.868 -0.204 -2.339 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.490 -1.532 0.174 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.332 -2.015 -1.049 1.00 0.00 H new ATOM 526 N PRO A 38 -17.730 -1.477 0.898 1.00 0.00 N ATOM 527 CA PRO A 38 -16.594 -1.078 1.735 1.00 0.00 C ATOM 528 C PRO A 38 -15.504 -0.374 0.934 1.00 0.00 C ATOM 529 O PRO A 38 -15.141 -0.812 -0.158 1.00 0.00 O ATOM 530 CB PRO A 38 -16.077 -2.407 2.289 1.00 0.00 C ATOM 531 CG PRO A 38 -16.504 -3.426 1.290 1.00 0.00 C ATOM 532 CD PRO A 38 -17.813 -2.938 0.733 1.00 0.00 C ATOM 0 HA PRO A 38 -16.886 -0.365 2.506 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.993 -2.394 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.498 -2.616 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.760 -3.534 0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.619 -4.405 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.934 -3.218 -0.313 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.661 -3.356 1.275 1.00 0.00 H new ATOM 540 N PHE A 39 -14.983 0.718 1.485 1.00 0.00 N ATOM 541 CA PHE A 39 -13.934 1.483 0.822 1.00 0.00 C ATOM 542 C PHE A 39 -12.725 1.655 1.737 1.00 0.00 C ATOM 543 O PHE A 39 -12.743 1.232 2.894 1.00 0.00 O ATOM 544 CB PHE A 39 -14.464 2.853 0.394 1.00 0.00 C ATOM 545 CG PHE A 39 -14.780 3.760 1.549 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.763 4.364 2.270 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.093 4.008 1.913 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.050 5.200 3.333 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.386 4.843 2.974 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.364 5.439 3.686 1.00 0.00 C ATOM 0 H PHE A 39 -15.271 1.093 2.389 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.621 0.930 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.725 3.336 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.363 2.715 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.734 4.180 1.999 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.897 3.543 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.248 5.666 3.887 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.414 5.030 3.246 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.591 6.090 4.517 1.00 0.00 H new ATOM 560 N LEU A 40 -11.677 2.280 1.212 1.00 0.00 N ATOM 561 CA LEU A 40 -10.459 2.509 1.981 1.00 0.00 C ATOM 562 C LEU A 40 -10.195 4.001 2.151 1.00 0.00 C ATOM 563 O LEU A 40 -10.363 4.783 1.215 1.00 0.00 O ATOM 564 CB LEU A 40 -9.265 1.844 1.293 1.00 0.00 C ATOM 565 CG LEU A 40 -9.530 0.477 0.662 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.379 0.076 -0.247 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.752 -0.574 1.740 1.00 0.00 C ATOM 0 H LEU A 40 -11.646 2.637 0.257 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.594 2.068 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.898 2.515 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.464 1.735 2.024 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.435 0.546 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.586 -0.900 -0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.267 0.815 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.458 0.024 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.939 -1.541 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.865 -0.641 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.611 -0.294 2.350 1.00 0.00 H new ATOM 579 N VAL A 41 -9.780 4.390 3.353 1.00 0.00 N ATOM 580 CA VAL A 41 -9.489 5.789 3.646 1.00 0.00 C ATOM 581 C VAL A 41 -8.075 5.954 4.190 1.00 0.00 C ATOM 582 O VAL A 41 -7.767 5.505 5.294 1.00 0.00 O ATOM 583 CB VAL A 41 -10.490 6.369 4.663 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.742 5.378 5.789 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.984 7.694 5.211 1.00 0.00 C ATOM 0 H VAL A 41 -9.638 3.756 4.139 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.579 6.335 2.707 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.436 6.550 4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.452 5.805 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.151 4.456 5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.804 5.162 6.300 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.703 8.090 5.928 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.025 7.541 5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.860 8.403 4.392 1.00 0.00 H new ATOM 595 N ALA A 42 -7.218 6.602 3.408 1.00 0.00 N ATOM 596 CA ALA A 42 -5.836 6.829 3.813 1.00 0.00 C ATOM 597 C ALA A 42 -5.449 8.295 3.646 1.00 0.00 C ATOM 598 O ALA A 42 -5.350 9.036 4.625 1.00 0.00 O ATOM 599 CB ALA A 42 -4.898 5.939 3.011 1.00 0.00 C ATOM 0 H ALA A 42 -7.456 6.979 2.491 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.746 6.574 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.869 6.119 3.324 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.152 4.893 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.999 6.166 1.950 1.00 0.00 H new ATOM 605 N LEU A 43 -5.230 8.706 2.403 1.00 0.00 N ATOM 606 CA LEU A 43 -4.853 10.084 2.108 1.00 0.00 C ATOM 607 C LEU A 43 -6.075 10.997 2.117 1.00 0.00 C ATOM 608 O LEU A 43 -6.531 11.451 1.069 1.00 0.00 O ATOM 609 CB LEU A 43 -4.154 10.163 0.749 1.00 0.00 C ATOM 610 CG LEU A 43 -2.723 9.625 0.698 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.807 10.459 1.580 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.688 8.163 1.122 1.00 0.00 C ATOM 0 H LEU A 43 -5.307 8.105 1.582 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.165 10.420 2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.753 9.615 0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.141 11.205 0.430 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.366 9.694 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.793 10.061 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.809 11.492 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.162 10.422 2.610 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.662 7.796 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.065 8.070 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.312 7.574 0.449 1.00 0.00 H new ATOM 624 N GLY A 44 -6.599 11.264 3.309 1.00 0.00 N ATOM 625 CA GLY A 44 -7.762 12.123 3.433 1.00 0.00 C ATOM 626 C GLY A 44 -8.725 11.967 2.273 1.00 0.00 C ATOM 627 O GLY A 44 -9.254 12.952 1.758 1.00 0.00 O ATOM 0 H GLY A 44 -6.239 10.901 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.280 11.895 4.364 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.438 13.162 3.495 1.00 0.00 H new ATOM 631 N LYS A 45 -8.952 10.725 1.858 1.00 0.00 N ATOM 632 CA LYS A 45 -9.857 10.441 0.750 1.00 0.00 C ATOM 633 C LYS A 45 -10.266 8.972 0.745 1.00 0.00 C ATOM 634 O LYS A 45 -9.720 8.163 1.494 1.00 0.00 O ATOM 635 CB LYS A 45 -9.195 10.802 -0.582 1.00 0.00 C ATOM 636 CG LYS A 45 -9.449 12.234 -1.019 1.00 0.00 C ATOM 637 CD LYS A 45 -9.325 12.387 -2.526 1.00 0.00 C ATOM 638 CE LYS A 45 -10.053 13.628 -3.022 1.00 0.00 C ATOM 639 NZ LYS A 45 -11.526 13.518 -2.836 1.00 0.00 N ATOM 0 H LYS A 45 -8.521 9.899 2.273 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.752 11.049 0.880 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.120 10.642 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.560 10.125 -1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.446 12.541 -0.702 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -8.739 12.898 -0.525 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.272 12.447 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.733 11.504 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.684 14.503 -2.488 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.831 13.782 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.009 14.154 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.826 12.538 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.774 13.785 -1.862 1.00 0.00 H new ATOM 653 N SER A 46 -11.230 8.634 -0.106 1.00 0.00 N ATOM 654 CA SER A 46 -11.714 7.263 -0.207 1.00 0.00 C ATOM 655 C SER A 46 -11.290 6.633 -1.531 1.00 0.00 C ATOM 656 O SER A 46 -11.402 7.252 -2.589 1.00 0.00 O ATOM 657 CB SER A 46 -13.238 7.226 -0.077 1.00 0.00 C ATOM 658 OG SER A 46 -13.863 7.574 -1.301 1.00 0.00 O ATOM 0 H SER A 46 -11.691 9.291 -0.735 1.00 0.00 H new ATOM 0 HA SER A 46 -11.273 6.688 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.556 6.229 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 46 -13.556 7.914 0.706 1.00 0.00 H new ATOM 0 HG SER A 46 -14.726 8.001 -1.118 1.00 0.00 H new ATOM 664 N TRP A 47 -10.804 5.399 -1.462 1.00 0.00 N ATOM 665 CA TRP A 47 -10.362 4.685 -2.655 1.00 0.00 C ATOM 666 C TRP A 47 -10.967 3.286 -2.706 1.00 0.00 C ATOM 667 O TRP A 47 -11.089 2.614 -1.682 1.00 0.00 O ATOM 668 CB TRP A 47 -8.836 4.595 -2.685 1.00 0.00 C ATOM 669 CG TRP A 47 -8.158 5.846 -2.215 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.106 6.319 -0.934 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.437 6.785 -3.021 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.396 7.495 -0.896 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.975 7.802 -2.162 1.00 0.00 C ATOM 674 CE3 TRP A 47 -7.136 6.865 -4.383 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -6.229 8.883 -2.624 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.396 7.939 -4.840 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.949 8.936 -3.963 1.00 0.00 C ATOM 0 H TRP A 47 -10.706 4.872 -0.594 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.703 5.241 -3.528 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.516 3.761 -2.061 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.512 4.375 -3.702 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.557 5.839 -0.078 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.212 8.049 -0.060 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.476 6.101 -5.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.883 9.653 -1.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.158 8.011 -5.891 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.372 9.763 -4.351 1.00 0.00 H new ATOM 688 N HIS A 48 -11.345 2.853 -3.905 1.00 0.00 N ATOM 689 CA HIS A 48 -11.937 1.533 -4.089 1.00 0.00 C ATOM 690 C HIS A 48 -10.913 0.435 -3.814 1.00 0.00 C ATOM 691 O HIS A 48 -9.756 0.514 -4.228 1.00 0.00 O ATOM 692 CB HIS A 48 -12.486 1.390 -5.509 1.00 0.00 C ATOM 693 CG HIS A 48 -13.925 1.786 -5.638 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.360 2.771 -6.499 1.00 0.00 N ATOM 695 CD2 HIS A 48 -15.030 1.321 -5.009 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.671 2.896 -6.393 1.00 0.00 C ATOM 697 NE2 HIS A 48 -16.102 2.028 -5.496 1.00 0.00 N ATOM 0 H HIS A 48 -11.252 3.397 -4.763 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.757 1.428 -3.378 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.888 2.002 -6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.372 0.355 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -15.062 0.540 -4.264 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -16.286 3.590 -6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -17.073 1.903 -5.211 1.00 0.00 H new ATOM 705 N PRO A 49 -11.346 -0.613 -3.098 1.00 0.00 N ATOM 706 CA PRO A 49 -10.483 -1.746 -2.752 1.00 0.00 C ATOM 707 C PRO A 49 -10.129 -2.597 -3.966 1.00 0.00 C ATOM 708 O PRO A 49 -9.456 -3.620 -3.843 1.00 0.00 O ATOM 709 CB PRO A 49 -11.333 -2.550 -1.764 1.00 0.00 C ATOM 710 CG PRO A 49 -12.741 -2.202 -2.105 1.00 0.00 C ATOM 711 CD PRO A 49 -12.712 -0.773 -2.572 1.00 0.00 C ATOM 0 HA PRO A 49 -9.526 -1.420 -2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.154 -3.620 -1.867 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.098 -2.285 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.128 -2.859 -2.884 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.392 -2.316 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.463 -0.586 -3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.912 -0.079 -1.755 1.00 0.00 H new ATOM 719 N GLU A 50 -10.585 -2.167 -5.138 1.00 0.00 N ATOM 720 CA GLU A 50 -10.316 -2.892 -6.375 1.00 0.00 C ATOM 721 C GLU A 50 -9.223 -2.199 -7.184 1.00 0.00 C ATOM 722 O GLU A 50 -8.310 -2.847 -7.694 1.00 0.00 O ATOM 723 CB GLU A 50 -11.591 -3.007 -7.213 1.00 0.00 C ATOM 724 CG GLU A 50 -12.697 -3.796 -6.533 1.00 0.00 C ATOM 725 CD GLU A 50 -14.007 -3.739 -7.294 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.790 -2.795 -7.060 1.00 0.00 O ATOM 727 OE2 GLU A 50 -14.249 -4.639 -8.126 1.00 0.00 O ATOM 0 H GLU A 50 -11.142 -1.321 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.972 -3.892 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.958 -2.006 -7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.349 -3.482 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.386 -4.836 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -12.849 -3.407 -5.526 1.00 0.00 H new ATOM 734 N GLU A 51 -9.325 -0.878 -7.296 1.00 0.00 N ATOM 735 CA GLU A 51 -8.346 -0.098 -8.045 1.00 0.00 C ATOM 736 C GLU A 51 -7.141 0.243 -7.173 1.00 0.00 C ATOM 737 O GLU A 51 -5.996 0.168 -7.620 1.00 0.00 O ATOM 738 CB GLU A 51 -8.984 1.186 -8.577 1.00 0.00 C ATOM 739 CG GLU A 51 -10.054 1.759 -7.663 1.00 0.00 C ATOM 740 CD GLU A 51 -10.382 3.205 -7.982 1.00 0.00 C ATOM 741 OE1 GLU A 51 -9.588 4.091 -7.603 1.00 0.00 O ATOM 742 OE2 GLU A 51 -11.432 3.449 -8.612 1.00 0.00 O ATOM 0 H GLU A 51 -10.074 -0.326 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.005 -0.701 -8.886 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.205 1.934 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.423 0.986 -9.555 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.959 1.158 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.719 1.686 -6.628 1.00 0.00 H new ATOM 749 N PHE A 52 -7.408 0.618 -5.926 1.00 0.00 N ATOM 750 CA PHE A 52 -6.347 0.973 -4.991 1.00 0.00 C ATOM 751 C PHE A 52 -5.169 0.010 -5.114 1.00 0.00 C ATOM 752 O PHE A 52 -5.137 -1.034 -4.463 1.00 0.00 O ATOM 753 CB PHE A 52 -6.878 0.966 -3.556 1.00 0.00 C ATOM 754 CG PHE A 52 -5.988 1.686 -2.584 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.574 2.984 -2.833 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.567 1.064 -1.419 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.754 3.648 -1.940 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.747 1.723 -0.522 1.00 0.00 C ATOM 759 CZ PHE A 52 -4.341 3.017 -0.783 1.00 0.00 C ATOM 0 H PHE A 52 -8.350 0.684 -5.540 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.001 1.977 -5.238 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.866 1.426 -3.541 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -7.001 -0.066 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.896 3.483 -3.735 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.883 0.053 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.437 4.659 -2.147 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.424 1.227 0.381 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.702 3.535 -0.083 1.00 0.00 H new ATOM 769 N ASN A 53 -4.204 0.369 -5.953 1.00 0.00 N ATOM 770 CA ASN A 53 -3.025 -0.463 -6.163 1.00 0.00 C ATOM 771 C ASN A 53 -1.759 0.388 -6.207 1.00 0.00 C ATOM 772 O ASN A 53 -1.825 1.613 -6.314 1.00 0.00 O ATOM 773 CB ASN A 53 -3.162 -1.261 -7.461 1.00 0.00 C ATOM 774 CG ASN A 53 -3.577 -0.392 -8.633 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.127 0.747 -8.765 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.439 -0.926 -9.490 1.00 0.00 N ATOM 0 H ASN A 53 -4.215 1.231 -6.499 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.947 -1.156 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.212 -1.744 -7.689 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.897 -2.053 -7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.755 -0.389 -10.297 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.786 -1.874 -9.341 1.00 0.00 H new ATOM 783 N CYS A 54 -0.607 -0.270 -6.125 1.00 0.00 N ATOM 784 CA CYS A 54 0.674 0.425 -6.155 1.00 0.00 C ATOM 785 C CYS A 54 0.845 1.194 -7.462 1.00 0.00 C ATOM 786 O CYS A 54 -0.019 1.150 -8.337 1.00 0.00 O ATOM 787 CB CYS A 54 1.822 -0.572 -5.984 1.00 0.00 C ATOM 788 SG CYS A 54 3.316 0.138 -5.221 1.00 0.00 S ATOM 0 H CYS A 54 -0.535 -1.284 -6.037 1.00 0.00 H new ATOM 0 HA CYS A 54 0.693 1.137 -5.330 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.477 -1.406 -5.373 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.084 -0.979 -6.961 1.00 0.00 H new ATOM 0 HG CYS A 54 3.871 -0.748 -4.448 1.00 0.00 H new ATOM 793 N ALA A 55 1.964 1.900 -7.585 1.00 0.00 N ATOM 794 CA ALA A 55 2.250 2.677 -8.784 1.00 0.00 C ATOM 795 C ALA A 55 3.304 1.991 -9.645 1.00 0.00 C ATOM 796 O ALA A 55 3.352 2.188 -10.860 1.00 0.00 O ATOM 797 CB ALA A 55 2.703 4.080 -8.408 1.00 0.00 C ATOM 0 H ALA A 55 2.688 1.950 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 55 1.333 2.748 -9.368 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.913 4.649 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.916 4.577 -7.841 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.605 4.020 -7.799 1.00 0.00 H new ATOM 803 N HIS A 56 4.149 1.185 -9.009 1.00 0.00 N ATOM 804 CA HIS A 56 5.204 0.470 -9.718 1.00 0.00 C ATOM 805 C HIS A 56 4.812 -0.987 -9.948 1.00 0.00 C ATOM 806 O HIS A 56 4.705 -1.440 -11.088 1.00 0.00 O ATOM 807 CB HIS A 56 6.514 0.540 -8.933 1.00 0.00 C ATOM 808 CG HIS A 56 7.640 -0.206 -9.578 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.501 0.370 -10.489 1.00 0.00 N ATOM 810 CD2 HIS A 56 8.046 -1.490 -9.440 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.386 -0.528 -10.883 1.00 0.00 C ATOM 812 NE2 HIS A 56 9.132 -1.665 -10.261 1.00 0.00 N ATOM 0 H HIS A 56 4.123 1.011 -8.004 1.00 0.00 H new ATOM 0 HA HIS A 56 5.345 0.948 -10.687 1.00 0.00 H new ATOM 0 HB2 HIS A 56 6.802 1.585 -8.815 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.350 0.140 -7.932 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.598 -2.238 -8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.182 -0.361 -11.593 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.657 -2.532 -10.373 1.00 0.00 H new ATOM 821 N CYS A 57 4.601 -1.717 -8.857 1.00 0.00 N ATOM 822 CA CYS A 57 4.223 -3.122 -8.939 1.00 0.00 C ATOM 823 C CYS A 57 2.746 -3.269 -9.293 1.00 0.00 C ATOM 824 O CYS A 57 2.289 -4.351 -9.662 1.00 0.00 O ATOM 825 CB CYS A 57 4.513 -3.828 -7.612 1.00 0.00 C ATOM 826 SG CYS A 57 3.501 -3.235 -6.219 1.00 0.00 S ATOM 0 H CYS A 57 4.686 -1.358 -7.906 1.00 0.00 H new ATOM 0 HA CYS A 57 4.815 -3.586 -9.728 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.347 -4.898 -7.738 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.566 -3.695 -7.365 1.00 0.00 H new ATOM 0 HG CYS A 57 3.769 -1.984 -5.990 1.00 0.00 H new ATOM 831 N LYS A 58 2.005 -2.172 -9.179 1.00 0.00 N ATOM 832 CA LYS A 58 0.580 -2.176 -9.488 1.00 0.00 C ATOM 833 C LYS A 58 -0.128 -3.324 -8.777 1.00 0.00 C ATOM 834 O LYS A 58 -0.936 -4.034 -9.376 1.00 0.00 O ATOM 835 CB LYS A 58 0.366 -2.288 -11.000 1.00 0.00 C ATOM 836 CG LYS A 58 0.991 -1.151 -11.789 1.00 0.00 C ATOM 837 CD LYS A 58 0.089 0.071 -11.816 1.00 0.00 C ATOM 838 CE LYS A 58 -0.960 -0.034 -12.912 1.00 0.00 C ATOM 839 NZ LYS A 58 -1.818 1.181 -12.977 1.00 0.00 N ATOM 0 H LYS A 58 2.368 -1.269 -8.875 1.00 0.00 H new ATOM 0 HA LYS A 58 0.154 -1.237 -9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.783 -3.233 -11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.704 -2.317 -11.206 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.952 -0.886 -11.347 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.189 -1.481 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.403 0.183 -10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.692 0.966 -11.972 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.467 -0.183 -13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.584 -0.910 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.520 1.070 -13.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.308 1.309 -12.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.226 2.014 -13.172 1.00 0.00 H new ATOM 853 N ASN A 59 0.179 -3.501 -7.496 1.00 0.00 N ATOM 854 CA ASN A 59 -0.429 -4.563 -6.704 1.00 0.00 C ATOM 855 C ASN A 59 -1.385 -3.986 -5.664 1.00 0.00 C ATOM 856 O ASN A 59 -1.185 -2.878 -5.167 1.00 0.00 O ATOM 857 CB ASN A 59 0.653 -5.395 -6.012 1.00 0.00 C ATOM 858 CG ASN A 59 1.576 -6.080 -7.001 1.00 0.00 C ATOM 859 OD1 ASN A 59 1.248 -6.219 -8.179 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.738 -6.511 -6.524 1.00 0.00 N ATOM 0 H ASN A 59 0.845 -2.922 -6.985 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.997 -5.205 -7.377 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.240 -4.751 -5.358 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.181 -6.146 -5.379 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.401 -6.979 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.968 -6.374 -5.540 1.00 0.00 H new ATOM 867 N THR A 60 -2.426 -4.747 -5.339 1.00 0.00 N ATOM 868 CA THR A 60 -3.414 -4.312 -4.359 1.00 0.00 C ATOM 869 C THR A 60 -2.742 -3.819 -3.083 1.00 0.00 C ATOM 870 O THR A 60 -1.944 -4.531 -2.475 1.00 0.00 O ATOM 871 CB THR A 60 -4.391 -5.449 -4.004 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.331 -4.998 -3.022 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.641 -6.663 -3.477 1.00 0.00 C ATOM 0 H THR A 60 -2.607 -5.667 -5.740 1.00 0.00 H new ATOM 0 HA THR A 60 -3.971 -3.493 -4.814 1.00 0.00 H new ATOM 0 HB THR A 60 -4.923 -5.737 -4.910 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.950 -5.726 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.352 -7.452 -3.233 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.948 -7.021 -4.238 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.085 -6.386 -2.581 1.00 0.00 H new ATOM 881 N MET A 61 -3.071 -2.595 -2.682 1.00 0.00 N ATOM 882 CA MET A 61 -2.500 -2.007 -1.475 1.00 0.00 C ATOM 883 C MET A 61 -3.561 -1.857 -0.389 1.00 0.00 C ATOM 884 O MET A 61 -3.613 -0.842 0.304 1.00 0.00 O ATOM 885 CB MET A 61 -1.880 -0.645 -1.790 1.00 0.00 C ATOM 886 CG MET A 61 -0.685 -0.723 -2.727 1.00 0.00 C ATOM 887 SD MET A 61 0.361 0.743 -2.641 1.00 0.00 S ATOM 888 CE MET A 61 -0.795 2.014 -3.149 1.00 0.00 C ATOM 0 H MET A 61 -3.729 -1.991 -3.175 1.00 0.00 H new ATOM 0 HA MET A 61 -1.722 -2.676 -1.108 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.640 -0.004 -2.236 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.570 -0.172 -0.858 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.091 -1.603 -2.480 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.038 -0.853 -3.750 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.398 2.542 -4.016 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.749 1.555 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.943 2.719 -2.331 1.00 0.00 H new ATOM 898 N ALA A 62 -4.405 -2.874 -0.248 1.00 0.00 N ATOM 899 CA ALA A 62 -5.462 -2.855 0.755 1.00 0.00 C ATOM 900 C ALA A 62 -4.925 -3.247 2.127 1.00 0.00 C ATOM 901 O ALA A 62 -5.223 -2.598 3.130 1.00 0.00 O ATOM 902 CB ALA A 62 -6.595 -3.784 0.345 1.00 0.00 C ATOM 0 H ALA A 62 -4.377 -3.721 -0.816 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.847 -1.837 0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.378 -3.760 1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.005 -3.458 -0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.215 -4.801 0.248 1.00 0.00 H new ATOM 908 N TYR A 63 -4.133 -4.313 2.165 1.00 0.00 N ATOM 909 CA TYR A 63 -3.557 -4.793 3.415 1.00 0.00 C ATOM 910 C TYR A 63 -2.181 -4.179 3.653 1.00 0.00 C ATOM 911 O TYR A 63 -1.976 -3.442 4.618 1.00 0.00 O ATOM 912 CB TYR A 63 -3.450 -6.319 3.399 1.00 0.00 C ATOM 913 CG TYR A 63 -4.760 -7.015 3.103 1.00 0.00 C ATOM 914 CD1 TYR A 63 -5.277 -7.046 1.815 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.479 -7.642 4.113 1.00 0.00 C ATOM 916 CE1 TYR A 63 -6.474 -7.679 1.540 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.675 -8.279 3.848 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.169 -8.295 2.560 1.00 0.00 C ATOM 919 OH TYR A 63 -8.360 -8.928 2.291 1.00 0.00 O ATOM 0 H TYR A 63 -3.875 -4.861 1.344 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.216 -4.489 4.228 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.714 -6.615 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.078 -6.659 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.734 -6.567 1.014 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.096 -7.631 5.123 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.863 -7.691 0.533 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.221 -8.762 4.645 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.721 -9.311 3.118 1.00 0.00 H new ATOM 929 N ILE A 64 -1.241 -4.486 2.765 1.00 0.00 N ATOM 930 CA ILE A 64 0.115 -3.964 2.876 1.00 0.00 C ATOM 931 C ILE A 64 0.105 -2.458 3.119 1.00 0.00 C ATOM 932 O ILE A 64 -0.931 -1.806 2.998 1.00 0.00 O ATOM 933 CB ILE A 64 0.938 -4.262 1.609 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.231 -3.706 0.371 1.00 0.00 C ATOM 935 CG2 ILE A 64 1.168 -5.759 1.467 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.129 -3.597 -0.841 1.00 0.00 C ATOM 0 H ILE A 64 -1.394 -5.094 1.960 1.00 0.00 H new ATOM 0 HA ILE A 64 0.578 -4.465 3.726 1.00 0.00 H new ATOM 0 HB ILE A 64 1.907 -3.772 1.700 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.617 -4.347 0.128 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.171 -2.720 0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.751 -5.954 0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.710 -6.128 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 64 0.208 -6.269 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.561 -3.196 -1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.963 -2.932 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.511 -4.584 -1.101 1.00 0.00 H new ATOM 948 N GLY A 65 1.268 -1.912 3.463 1.00 0.00 N ATOM 949 CA GLY A 65 1.372 -0.487 3.717 1.00 0.00 C ATOM 950 C GLY A 65 1.565 0.315 2.446 1.00 0.00 C ATOM 951 O GLY A 65 1.344 -0.189 1.345 1.00 0.00 O ATOM 0 H GLY A 65 2.139 -2.431 3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.471 -0.145 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.208 -0.301 4.391 1.00 0.00 H new ATOM 955 N PHE A 66 1.975 1.570 2.597 1.00 0.00 N ATOM 956 CA PHE A 66 2.194 2.446 1.452 1.00 0.00 C ATOM 957 C PHE A 66 2.873 3.743 1.881 1.00 0.00 C ATOM 958 O PHE A 66 2.884 4.090 3.062 1.00 0.00 O ATOM 959 CB PHE A 66 0.866 2.757 0.759 1.00 0.00 C ATOM 960 CG PHE A 66 0.011 3.735 1.513 1.00 0.00 C ATOM 961 CD1 PHE A 66 0.378 5.068 1.607 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.159 3.321 2.128 1.00 0.00 C ATOM 963 CE1 PHE A 66 -0.407 5.969 2.301 1.00 0.00 C ATOM 964 CE2 PHE A 66 -1.948 4.218 2.824 1.00 0.00 C ATOM 965 CZ PHE A 66 -1.572 5.544 2.909 1.00 0.00 C ATOM 0 H PHE A 66 2.162 2.003 3.501 1.00 0.00 H new ATOM 0 HA PHE A 66 2.849 1.929 0.751 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.069 3.155 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.310 1.829 0.624 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.287 5.406 1.133 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.458 2.285 2.063 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.110 7.005 2.368 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.857 3.882 3.301 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.188 6.247 3.450 1.00 0.00 H new ATOM 975 N VAL A 67 3.439 4.457 0.913 1.00 0.00 N ATOM 976 CA VAL A 67 4.120 5.716 1.189 1.00 0.00 C ATOM 977 C VAL A 67 3.870 6.731 0.080 1.00 0.00 C ATOM 978 O VAL A 67 4.077 6.441 -1.098 1.00 0.00 O ATOM 979 CB VAL A 67 5.638 5.510 1.348 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.314 6.811 1.756 1.00 0.00 C ATOM 981 CG2 VAL A 67 5.923 4.411 2.361 1.00 0.00 C ATOM 0 H VAL A 67 3.439 4.184 -0.070 1.00 0.00 H new ATOM 0 HA VAL A 67 3.712 6.097 2.125 1.00 0.00 H new ATOM 0 HB VAL A 67 6.048 5.202 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.386 6.646 1.864 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.138 7.568 0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.902 7.153 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.000 4.279 2.461 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.500 4.688 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.473 3.478 2.022 1.00 0.00 H new ATOM 991 N GLU A 68 3.422 7.922 0.465 1.00 0.00 N ATOM 992 CA GLU A 68 3.143 8.981 -0.499 1.00 0.00 C ATOM 993 C GLU A 68 4.404 9.782 -0.807 1.00 0.00 C ATOM 994 O GLU A 68 5.037 10.333 0.093 1.00 0.00 O ATOM 995 CB GLU A 68 2.052 9.912 0.035 1.00 0.00 C ATOM 996 CG GLU A 68 1.917 11.205 -0.751 1.00 0.00 C ATOM 997 CD GLU A 68 0.618 11.931 -0.462 1.00 0.00 C ATOM 998 OE1 GLU A 68 -0.451 11.409 -0.841 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.671 13.022 0.144 1.00 0.00 O ATOM 0 H GLU A 68 3.245 8.178 1.436 1.00 0.00 H new ATOM 0 HA GLU A 68 2.795 8.516 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.098 9.386 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.267 10.151 1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.755 11.860 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.977 10.986 -1.817 1.00 0.00 H new ATOM 1006 N GLU A 69 4.762 9.841 -2.086 1.00 0.00 N ATOM 1007 CA GLU A 69 5.949 10.574 -2.514 1.00 0.00 C ATOM 1008 C GLU A 69 5.797 11.065 -3.950 1.00 0.00 C ATOM 1009 O GLU A 69 5.283 10.351 -4.812 1.00 0.00 O ATOM 1010 CB GLU A 69 7.192 9.690 -2.394 1.00 0.00 C ATOM 1011 CG GLU A 69 8.474 10.380 -2.829 1.00 0.00 C ATOM 1012 CD GLU A 69 8.980 11.373 -1.800 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.159 12.153 -1.275 1.00 0.00 O ATOM 1014 OE2 GLU A 69 10.197 11.368 -1.521 1.00 0.00 O ATOM 0 H GLU A 69 4.248 9.391 -2.843 1.00 0.00 H new ATOM 0 HA GLU A 69 6.064 11.440 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.298 9.365 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.049 8.793 -2.997 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.242 9.629 -3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.302 10.897 -3.773 1.00 0.00 H new ATOM 1021 N LYS A 70 6.248 12.289 -4.202 1.00 0.00 N ATOM 1022 CA LYS A 70 6.164 12.877 -5.533 1.00 0.00 C ATOM 1023 C LYS A 70 4.863 12.480 -6.223 1.00 0.00 C ATOM 1024 O LYS A 70 4.848 12.180 -7.416 1.00 0.00 O ATOM 1025 CB LYS A 70 7.359 12.439 -6.383 1.00 0.00 C ATOM 1026 CG LYS A 70 8.604 13.281 -6.163 1.00 0.00 C ATOM 1027 CD LYS A 70 8.497 14.627 -6.860 1.00 0.00 C ATOM 1028 CE LYS A 70 9.012 14.557 -8.290 1.00 0.00 C ATOM 1029 NZ LYS A 70 7.957 14.103 -9.238 1.00 0.00 N ATOM 0 H LYS A 70 6.676 12.894 -3.501 1.00 0.00 H new ATOM 0 HA LYS A 70 6.181 13.962 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.591 11.398 -6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.081 12.485 -7.436 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.756 13.435 -5.095 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.477 12.746 -6.536 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.458 14.955 -6.862 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.065 15.372 -6.304 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.375 15.539 -8.594 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.861 13.875 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.097 14.564 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.016 13.071 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.021 14.356 -8.863 1.00 0.00 H new ATOM 1043 N GLY A 71 3.772 12.481 -5.464 1.00 0.00 N ATOM 1044 CA GLY A 71 2.481 12.120 -6.020 1.00 0.00 C ATOM 1045 C GLY A 71 2.423 10.670 -6.457 1.00 0.00 C ATOM 1046 O GLY A 71 2.103 10.375 -7.608 1.00 0.00 O ATOM 0 H GLY A 71 3.759 12.725 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.705 12.304 -5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.264 12.762 -6.873 1.00 0.00 H new ATOM 1050 N ALA A 72 2.735 9.763 -5.538 1.00 0.00 N ATOM 1051 CA ALA A 72 2.717 8.336 -5.835 1.00 0.00 C ATOM 1052 C ALA A 72 2.781 7.508 -4.556 1.00 0.00 C ATOM 1053 O ALA A 72 3.485 7.862 -3.609 1.00 0.00 O ATOM 1054 CB ALA A 72 3.870 7.975 -6.758 1.00 0.00 C ATOM 0 H ALA A 72 3.004 9.991 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 72 1.778 8.107 -6.338 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.844 6.906 -6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.779 8.533 -7.690 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.815 8.226 -6.276 1.00 0.00 H new ATOM 1060 N LEU A 73 2.041 6.405 -4.533 1.00 0.00 N ATOM 1061 CA LEU A 73 2.014 5.526 -3.369 1.00 0.00 C ATOM 1062 C LEU A 73 2.822 4.258 -3.624 1.00 0.00 C ATOM 1063 O LEU A 73 2.543 3.510 -4.561 1.00 0.00 O ATOM 1064 CB LEU A 73 0.571 5.162 -3.015 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.370 6.335 -2.740 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.807 5.851 -2.622 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.052 7.073 -1.478 1.00 0.00 C ATOM 0 H LEU A 73 1.452 6.098 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 73 2.465 6.059 -2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.155 4.573 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.585 4.520 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.310 7.028 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.462 6.700 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.106 5.369 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.884 5.137 -1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.629 7.905 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.022 6.389 -0.630 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.066 7.454 -1.601 1.00 0.00 H new ATOM 1079 N TYR A 74 3.825 4.023 -2.785 1.00 0.00 N ATOM 1080 CA TYR A 74 4.675 2.846 -2.920 1.00 0.00 C ATOM 1081 C TYR A 74 4.542 1.936 -1.702 1.00 0.00 C ATOM 1082 O TYR A 74 4.677 2.381 -0.562 1.00 0.00 O ATOM 1083 CB TYR A 74 6.135 3.264 -3.102 1.00 0.00 C ATOM 1084 CG TYR A 74 6.355 4.208 -4.262 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.407 3.735 -5.568 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.511 5.572 -4.054 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.608 4.593 -6.631 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.711 6.438 -5.111 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.759 5.944 -6.398 1.00 0.00 C ATOM 1090 OH TYR A 74 6.960 6.803 -7.454 1.00 0.00 O ATOM 0 H TYR A 74 4.069 4.632 -2.004 1.00 0.00 H new ATOM 0 HA TYR A 74 4.350 2.293 -3.801 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.485 3.740 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.744 2.372 -3.250 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.288 2.678 -5.755 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.475 5.963 -3.048 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.647 4.208 -7.639 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.829 7.496 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 74 7.046 7.720 -7.118 1.00 0.00 H new ATOM 1100 N CYS A 75 4.277 0.659 -1.953 1.00 0.00 N ATOM 1101 CA CYS A 75 4.126 -0.316 -0.880 1.00 0.00 C ATOM 1102 C CYS A 75 5.452 -0.542 -0.160 1.00 0.00 C ATOM 1103 O CYS A 75 6.515 -0.536 -0.780 1.00 0.00 O ATOM 1104 CB CYS A 75 3.603 -1.642 -1.437 1.00 0.00 C ATOM 1105 SG CYS A 75 4.750 -2.470 -2.584 1.00 0.00 S ATOM 0 H CYS A 75 4.162 0.275 -2.891 1.00 0.00 H new ATOM 0 HA CYS A 75 3.406 0.079 -0.163 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.389 -2.314 -0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.659 -1.461 -1.951 1.00 0.00 H new ATOM 0 HG CYS A 75 4.174 -2.622 -3.739 1.00 0.00 H new ATOM 1110 N GLU A 76 5.380 -0.742 1.153 1.00 0.00 N ATOM 1111 CA GLU A 76 6.575 -0.969 1.957 1.00 0.00 C ATOM 1112 C GLU A 76 7.609 -1.778 1.179 1.00 0.00 C ATOM 1113 O GLU A 76 8.806 -1.493 1.234 1.00 0.00 O ATOM 1114 CB GLU A 76 6.213 -1.697 3.254 1.00 0.00 C ATOM 1115 CG GLU A 76 5.588 -3.064 3.030 1.00 0.00 C ATOM 1116 CD GLU A 76 5.478 -3.871 4.309 1.00 0.00 C ATOM 1117 OE1 GLU A 76 6.146 -3.506 5.300 1.00 0.00 O ATOM 1118 OE2 GLU A 76 4.725 -4.867 4.320 1.00 0.00 O ATOM 0 H GLU A 76 4.508 -0.751 1.681 1.00 0.00 H new ATOM 0 HA GLU A 76 7.007 0.001 2.201 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.112 -1.813 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.521 -1.080 3.826 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.596 -2.939 2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.185 -3.618 2.305 1.00 0.00 H new ATOM 1125 N LEU A 77 7.138 -2.788 0.455 1.00 0.00 N ATOM 1126 CA LEU A 77 8.021 -3.639 -0.335 1.00 0.00 C ATOM 1127 C LEU A 77 8.835 -2.811 -1.324 1.00 0.00 C ATOM 1128 O LEU A 77 10.065 -2.867 -1.333 1.00 0.00 O ATOM 1129 CB LEU A 77 7.207 -4.695 -1.085 1.00 0.00 C ATOM 1130 CG LEU A 77 6.414 -5.672 -0.218 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.452 -6.485 -1.071 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.356 -6.590 0.548 1.00 0.00 C ATOM 0 H LEU A 77 6.151 -3.037 0.399 1.00 0.00 H new ATOM 0 HA LEU A 77 8.710 -4.137 0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.511 -4.184 -1.750 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.887 -5.269 -1.715 1.00 0.00 H new ATOM 0 HG LEU A 77 5.831 -5.098 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.896 -7.175 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.756 -5.814 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.014 -7.049 -1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.774 -7.279 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.965 -7.156 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.004 -5.993 1.190 1.00 0.00 H new ATOM 1144 N CYS A 78 8.141 -2.040 -2.154 1.00 0.00 N ATOM 1145 CA CYS A 78 8.798 -1.198 -3.146 1.00 0.00 C ATOM 1146 C CYS A 78 9.745 -0.206 -2.477 1.00 0.00 C ATOM 1147 O CYS A 78 10.904 -0.075 -2.869 1.00 0.00 O ATOM 1148 CB CYS A 78 7.757 -0.445 -3.977 1.00 0.00 C ATOM 1149 SG CYS A 78 6.891 -1.481 -5.200 1.00 0.00 S ATOM 0 H CYS A 78 7.123 -1.981 -2.159 1.00 0.00 H new ATOM 0 HA CYS A 78 9.381 -1.843 -3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.021 -0.003 -3.305 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.248 0.378 -4.496 1.00 0.00 H new ATOM 0 HG CYS A 78 5.911 -2.109 -4.621 1.00 0.00 H new ATOM 1154 N TYR A 79 9.242 0.491 -1.464 1.00 0.00 N ATOM 1155 CA TYR A 79 10.041 1.473 -0.740 1.00 0.00 C ATOM 1156 C TYR A 79 11.324 0.844 -0.206 1.00 0.00 C ATOM 1157 O TYR A 79 12.424 1.203 -0.625 1.00 0.00 O ATOM 1158 CB TYR A 79 9.233 2.069 0.414 1.00 0.00 C ATOM 1159 CG TYR A 79 10.022 3.031 1.273 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.940 2.567 2.207 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.851 4.404 1.149 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.663 3.442 2.994 1.00 0.00 C ATOM 1163 CE2 TYR A 79 10.571 5.287 1.931 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.475 4.801 2.852 1.00 0.00 C ATOM 1165 OH TYR A 79 12.194 5.677 3.633 1.00 0.00 O ATOM 0 H TYR A 79 8.285 0.394 -1.126 1.00 0.00 H new ATOM 0 HA TYR A 79 10.310 2.269 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.364 2.587 0.008 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.858 1.259 1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.091 1.504 2.320 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.143 4.788 0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.371 3.064 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.427 6.352 1.821 1.00 0.00 H new ATOM 0 HH TYR A 79 12.457 6.454 3.096 1.00 0.00 H new ATOM 1175 N GLU A 80 11.174 -0.096 0.721 1.00 0.00 N ATOM 1176 CA GLU A 80 12.320 -0.776 1.313 1.00 0.00 C ATOM 1177 C GLU A 80 13.265 -1.291 0.231 1.00 0.00 C ATOM 1178 O GLU A 80 14.483 -1.309 0.411 1.00 0.00 O ATOM 1179 CB GLU A 80 11.854 -1.936 2.194 1.00 0.00 C ATOM 1180 CG GLU A 80 12.979 -2.599 2.973 1.00 0.00 C ATOM 1181 CD GLU A 80 12.513 -3.816 3.748 1.00 0.00 C ATOM 1182 OE1 GLU A 80 12.058 -4.787 3.108 1.00 0.00 O ATOM 1183 OE2 GLU A 80 12.604 -3.797 4.993 1.00 0.00 O ATOM 0 H GLU A 80 10.270 -0.404 1.079 1.00 0.00 H new ATOM 0 HA GLU A 80 12.859 -0.056 1.929 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.104 -1.570 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.367 -2.684 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.770 -2.893 2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.412 -1.876 3.665 1.00 0.00 H new ATOM 1190 N LYS A 81 12.694 -1.712 -0.893 1.00 0.00 N ATOM 1191 CA LYS A 81 13.483 -2.228 -2.005 1.00 0.00 C ATOM 1192 C LYS A 81 14.427 -1.158 -2.546 1.00 0.00 C ATOM 1193 O LYS A 81 15.615 -1.409 -2.747 1.00 0.00 O ATOM 1194 CB LYS A 81 12.563 -2.723 -3.123 1.00 0.00 C ATOM 1195 CG LYS A 81 12.184 -4.188 -2.995 1.00 0.00 C ATOM 1196 CD LYS A 81 11.171 -4.597 -4.051 1.00 0.00 C ATOM 1197 CE LYS A 81 11.854 -5.095 -5.315 1.00 0.00 C ATOM 1198 NZ LYS A 81 12.190 -6.543 -5.230 1.00 0.00 N ATOM 0 H LYS A 81 11.687 -1.706 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 81 14.080 -3.062 -1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.655 -2.121 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.055 -2.566 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.078 -4.805 -3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.771 -4.373 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.525 -5.379 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 81 10.532 -3.748 -4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.202 -4.923 -6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.764 -4.520 -5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.654 -6.844 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 12.832 -6.704 -4.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.319 -7.094 -5.092 1.00 0.00 H new ATOM 1212 N PHE A 82 13.890 0.035 -2.778 1.00 0.00 N ATOM 1213 CA PHE A 82 14.685 1.144 -3.294 1.00 0.00 C ATOM 1214 C PHE A 82 15.234 1.997 -2.154 1.00 0.00 C ATOM 1215 O PHE A 82 16.447 2.139 -2.000 1.00 0.00 O ATOM 1216 CB PHE A 82 13.842 2.009 -4.233 1.00 0.00 C ATOM 1217 CG PHE A 82 13.318 1.263 -5.427 1.00 0.00 C ATOM 1218 CD1 PHE A 82 14.163 0.910 -6.466 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.979 0.914 -5.509 1.00 0.00 C ATOM 1220 CE1 PHE A 82 13.683 0.224 -7.566 1.00 0.00 C ATOM 1221 CE2 PHE A 82 11.493 0.227 -6.606 1.00 0.00 C ATOM 1222 CZ PHE A 82 12.346 -0.119 -7.635 1.00 0.00 C ATOM 0 H PHE A 82 12.908 0.259 -2.617 1.00 0.00 H new ATOM 0 HA PHE A 82 15.525 0.728 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 82 13.002 2.423 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.443 2.851 -4.576 1.00 0.00 H new ATOM 0 HD1 PHE A 82 15.209 1.174 -6.416 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.308 1.182 -4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.352 -0.044 -8.370 1.00 0.00 H new ATOM 0 HE2 PHE A 82 10.447 -0.039 -6.658 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.969 -0.657 -8.492 1.00 0.00 H new ATOM 1232 N PHE A 83 14.332 2.562 -1.359 1.00 0.00 N ATOM 1233 CA PHE A 83 14.725 3.403 -0.234 1.00 0.00 C ATOM 1234 C PHE A 83 15.734 2.683 0.656 1.00 0.00 C ATOM 1235 O PHE A 83 16.855 3.153 0.848 1.00 0.00 O ATOM 1236 CB PHE A 83 13.497 3.801 0.586 1.00 0.00 C ATOM 1237 CG PHE A 83 12.760 4.985 0.028 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.939 4.847 -1.080 1.00 0.00 C ATOM 1239 CD2 PHE A 83 12.890 6.235 0.610 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.260 5.934 -1.596 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.213 7.326 0.098 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.398 7.176 -1.007 1.00 0.00 C ATOM 0 H PHE A 83 13.324 2.453 -1.473 1.00 0.00 H new ATOM 0 HA PHE A 83 15.194 4.303 -0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.816 2.952 0.640 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.809 4.025 1.606 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.829 3.879 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.527 6.359 1.473 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.622 5.813 -2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.321 8.295 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.870 8.028 -1.410 1.00 0.00 H new ATOM 1252 N ALA A 84 15.326 1.540 1.198 1.00 0.00 N ATOM 1253 CA ALA A 84 16.194 0.754 2.067 1.00 0.00 C ATOM 1254 C ALA A 84 17.101 -0.163 1.253 1.00 0.00 C ATOM 1255 O ALA A 84 16.821 -1.351 1.100 1.00 0.00 O ATOM 1256 CB ALA A 84 15.362 -0.058 3.048 1.00 0.00 C ATOM 0 H ALA A 84 14.400 1.138 1.051 1.00 0.00 H new ATOM 0 HA ALA A 84 16.827 1.443 2.627 1.00 0.00 H new ATOM 0 HB1 ALA A 84 16.023 -0.640 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.761 0.615 3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.705 -0.732 2.498 1.00 0.00 H new