USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 561 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 CYS SG : rot -1:sc= -0.127 USER MOD Set 1.2: A 57 CYS SG : rot -58:sc= -1.28 USER MOD Set 1.3: A 59 ASN : amide:sc= -4.08! C(o=-4.5!,f=-8!) USER MOD Set 1.4: A 75 CYS SG : rot -123:sc= 0.203 USER MOD Set 1.5: A 78 CYS SG : rot 83:sc= 0.759 USER MOD Set 2.1: A 28 CYS SG : rot 140:sc= 1.82 USER MOD Set 2.2: A 31 CYS SG : rot -58:sc= -0.589 USER MOD Set 2.3: A 33 GLN : amide:sc= 0 X(o=0.69,f=0.48) USER MOD Set 2.4: A 48 HIS : no HD1:sc= -0.543 K(o=0.69,f=-5.9!) USER MOD Single : A 14 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 18 HIS : no HE2:sc= -0.642 K(o=-0.64,f=-2.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 62:sc= 0.312 USER MOD Single : A 27 MET CE :methyl 153:sc= -0.0298 (180deg=-0.772) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.5!) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0292 (180deg=-0.257) USER MOD Single : A 46 SER OG : rot -82:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.43 X(o=-2.4,f=-2.7) USER MOD Single : A 56 HIS : no HD1:sc= -0.371 X(o=-0.37,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 -129:sc= -1.94 (180deg=-11.1!) 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 96:sc= 0.207 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N LEU A 12 7.449 5.988 7.316 1.00 0.00 N ATOM 122 CA LEU A 12 6.425 6.665 6.529 1.00 0.00 C ATOM 123 C LEU A 12 5.255 5.731 6.238 1.00 0.00 C ATOM 124 O LEU A 12 4.100 6.155 6.213 1.00 0.00 O ATOM 125 CB LEU A 12 7.020 7.179 5.216 1.00 0.00 C ATOM 126 CG LEU A 12 7.786 8.500 5.299 1.00 0.00 C ATOM 127 CD1 LEU A 12 6.872 9.619 5.771 1.00 0.00 C ATOM 128 CD2 LEU A 12 8.987 8.363 6.224 1.00 0.00 C ATOM 0 HA LEU A 12 6.056 7.510 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.692 6.417 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.211 7.296 4.495 1.00 0.00 H new ATOM 0 HG LEU A 12 8.147 8.751 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.435 10.551 5.824 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.045 9.734 5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.479 9.376 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.520 9.312 6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.648 8.088 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.654 7.591 5.842 1.00 0.00 H new ATOM 140 N VAL A 13 5.562 4.455 6.022 1.00 0.00 N ATOM 141 CA VAL A 13 4.536 3.460 5.737 1.00 0.00 C ATOM 142 C VAL A 13 3.249 3.765 6.493 1.00 0.00 C ATOM 143 O VAL A 13 3.253 3.899 7.717 1.00 0.00 O ATOM 144 CB VAL A 13 5.012 2.042 6.107 1.00 0.00 C ATOM 145 CG1 VAL A 13 3.871 1.045 5.977 1.00 0.00 C ATOM 146 CG2 VAL A 13 6.191 1.632 5.238 1.00 0.00 C ATOM 0 H VAL A 13 6.513 4.087 6.039 1.00 0.00 H new ATOM 0 HA VAL A 13 4.343 3.503 4.665 1.00 0.00 H new ATOM 0 HB VAL A 13 5.341 2.048 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.226 0.049 6.242 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.060 1.331 6.646 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.508 1.039 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.514 0.628 5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.892 1.642 4.190 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.014 2.331 5.387 1.00 0.00 H new ATOM 156 N GLN A 14 2.148 3.874 5.757 1.00 0.00 N ATOM 157 CA GLN A 14 0.852 4.165 6.359 1.00 0.00 C ATOM 158 C GLN A 14 -0.081 2.963 6.250 1.00 0.00 C ATOM 159 O GLN A 14 0.322 1.892 5.794 1.00 0.00 O ATOM 160 CB GLN A 14 0.215 5.382 5.686 1.00 0.00 C ATOM 161 CG GLN A 14 0.865 6.700 6.073 1.00 0.00 C ATOM 162 CD GLN A 14 0.302 7.877 5.301 1.00 0.00 C ATOM 163 OE1 GLN A 14 0.405 7.822 3.979 1.00 0.00 O flip ATOM 164 NE2 GLN A 14 -0.219 8.827 5.887 1.00 0.00 N flip ATOM 0 H GLN A 14 2.127 3.765 4.743 1.00 0.00 H new ATOM 0 HA GLN A 14 1.011 4.384 7.415 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.274 5.261 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.843 5.418 5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.725 6.870 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.939 6.636 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.277 8.828 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.592 9.612 5.354 1.00 0.00 H new ATOM 173 N ARG A 15 -1.327 3.147 6.671 1.00 0.00 N ATOM 174 CA ARG A 15 -2.317 2.077 6.622 1.00 0.00 C ATOM 175 C ARG A 15 -3.719 2.642 6.418 1.00 0.00 C ATOM 176 O ARG A 15 -4.190 3.462 7.207 1.00 0.00 O ATOM 177 CB ARG A 15 -2.270 1.251 7.909 1.00 0.00 C ATOM 178 CG ARG A 15 -1.155 0.219 7.931 1.00 0.00 C ATOM 179 CD ARG A 15 -1.467 -0.919 8.890 1.00 0.00 C ATOM 180 NE ARG A 15 -2.300 -1.945 8.268 1.00 0.00 N ATOM 181 CZ ARG A 15 -2.378 -3.195 8.710 1.00 0.00 C ATOM 182 NH1 ARG A 15 -1.677 -3.572 9.771 1.00 0.00 N ATOM 183 NH2 ARG A 15 -3.159 -4.071 8.091 1.00 0.00 N ATOM 0 H ARG A 15 -1.676 4.027 7.050 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.078 1.433 5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.147 1.924 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.226 0.743 8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.007 -0.180 6.927 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.221 0.698 8.225 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.536 -1.368 9.235 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.975 -0.523 9.769 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.852 -1.687 7.450 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.076 -2.901 10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.739 -4.533 10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.700 -3.785 7.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.218 -5.031 8.431 1.00 0.00 H new ATOM 197 N ALA A 16 -4.381 2.199 5.355 1.00 0.00 N ATOM 198 CA ALA A 16 -5.730 2.659 5.048 1.00 0.00 C ATOM 199 C ALA A 16 -6.768 1.902 5.868 1.00 0.00 C ATOM 200 O ALA A 16 -6.838 0.674 5.817 1.00 0.00 O ATOM 201 CB ALA A 16 -6.015 2.505 3.561 1.00 0.00 C ATOM 0 H ALA A 16 -4.005 1.522 4.691 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.796 3.714 5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.026 2.852 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.299 3.096 2.990 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.925 1.456 3.280 1.00 0.00 H new ATOM 207 N GLU A 17 -7.573 2.642 6.625 1.00 0.00 N ATOM 208 CA GLU A 17 -8.606 2.038 7.458 1.00 0.00 C ATOM 209 C GLU A 17 -9.695 1.402 6.598 1.00 0.00 C ATOM 210 O GLU A 17 -10.395 2.090 5.855 1.00 0.00 O ATOM 211 CB GLU A 17 -9.222 3.087 8.386 1.00 0.00 C ATOM 212 CG GLU A 17 -9.790 2.506 9.670 1.00 0.00 C ATOM 213 CD GLU A 17 -10.425 3.559 10.557 1.00 0.00 C ATOM 214 OE1 GLU A 17 -10.765 4.643 10.038 1.00 0.00 O ATOM 215 OE2 GLU A 17 -10.582 3.300 11.768 1.00 0.00 O ATOM 0 H GLU A 17 -7.529 3.660 6.678 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.141 1.258 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.463 3.828 8.637 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.015 3.611 7.852 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.533 1.748 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.994 2.005 10.221 1.00 0.00 H new ATOM 222 N HIS A 18 -9.831 0.084 6.705 1.00 0.00 N ATOM 223 CA HIS A 18 -10.834 -0.645 5.937 1.00 0.00 C ATOM 224 C HIS A 18 -12.241 -0.297 6.413 1.00 0.00 C ATOM 225 O HIS A 18 -12.660 -0.708 7.496 1.00 0.00 O ATOM 226 CB HIS A 18 -10.601 -2.152 6.056 1.00 0.00 C ATOM 227 CG HIS A 18 -9.641 -2.691 5.041 1.00 0.00 C ATOM 228 ND1 HIS A 18 -10.028 -3.506 3.998 1.00 0.00 N ATOM 229 CD2 HIS A 18 -8.304 -2.528 4.912 1.00 0.00 C ATOM 230 CE1 HIS A 18 -8.970 -3.821 3.272 1.00 0.00 C ATOM 231 NE2 HIS A 18 -7.911 -3.240 3.805 1.00 0.00 N ATOM 0 H HIS A 18 -9.260 -0.500 7.315 1.00 0.00 H new ATOM 0 HA HIS A 18 -10.740 -0.351 4.891 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.225 -2.376 7.054 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.555 -2.668 5.952 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.982 -3.817 3.816 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.665 -1.946 5.559 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.971 -4.447 2.392 1.00 0.00 H new ATOM 240 N ILE A 19 -12.965 0.463 5.598 1.00 0.00 N ATOM 241 CA ILE A 19 -14.324 0.866 5.936 1.00 0.00 C ATOM 242 C ILE A 19 -15.348 -0.083 5.321 1.00 0.00 C ATOM 243 O ILE A 19 -15.364 -0.319 4.112 1.00 0.00 O ATOM 244 CB ILE A 19 -14.621 2.301 5.462 1.00 0.00 C ATOM 245 CG1 ILE A 19 -13.695 3.295 6.166 1.00 0.00 C ATOM 246 CG2 ILE A 19 -16.079 2.652 5.718 1.00 0.00 C ATOM 247 CD1 ILE A 19 -13.849 3.302 7.671 1.00 0.00 C ATOM 0 H ILE A 19 -12.633 0.812 4.699 1.00 0.00 H new ATOM 0 HA ILE A 19 -14.403 0.828 7.022 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.437 2.360 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.661 3.056 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.892 4.297 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -16.274 3.669 5.378 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -16.721 1.959 5.175 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -16.289 2.580 6.785 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.162 4.030 8.104 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.873 3.570 7.931 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.623 2.311 8.065 1.00 0.00 H new ATOM 259 N PRO A 20 -16.224 -0.640 6.170 1.00 0.00 N ATOM 260 CA PRO A 20 -17.269 -1.570 5.732 1.00 0.00 C ATOM 261 C PRO A 20 -18.353 -0.879 4.912 1.00 0.00 C ATOM 262 O PRO A 20 -18.436 0.349 4.884 1.00 0.00 O ATOM 263 CB PRO A 20 -17.848 -2.098 7.047 1.00 0.00 C ATOM 264 CG PRO A 20 -17.565 -1.026 8.043 1.00 0.00 C ATOM 265 CD PRO A 20 -16.262 -0.404 7.623 1.00 0.00 C ATOM 0 HA PRO A 20 -16.874 -2.350 5.081 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -18.918 -2.286 6.961 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -17.381 -3.040 7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -18.364 -0.285 8.057 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -17.494 -1.438 9.050 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -16.230 0.660 7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.414 -0.867 8.128 1.00 0.00 H new ATOM 273 N ALA A 21 -19.183 -1.675 4.246 1.00 0.00 N ATOM 274 CA ALA A 21 -20.264 -1.140 3.428 1.00 0.00 C ATOM 275 C ALA A 21 -21.371 -0.553 4.297 1.00 0.00 C ATOM 276 O ALA A 21 -21.592 -0.997 5.422 1.00 0.00 O ATOM 277 CB ALA A 21 -20.823 -2.223 2.518 1.00 0.00 C ATOM 0 H ALA A 21 -19.127 -2.693 4.257 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.858 -0.338 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -21.630 -1.809 1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -20.033 -2.593 1.865 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -21.208 -3.044 3.123 1.00 0.00 H new ATOM 283 N GLY A 22 -22.065 0.450 3.766 1.00 0.00 N ATOM 284 CA GLY A 22 -23.140 1.082 4.507 1.00 0.00 C ATOM 285 C GLY A 22 -22.648 2.206 5.397 1.00 0.00 C ATOM 286 O GLY A 22 -23.169 3.321 5.348 1.00 0.00 O ATOM 0 H GLY A 22 -21.901 0.835 2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -23.878 1.473 3.807 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -23.645 0.334 5.118 1.00 0.00 H new ATOM 290 N LYS A 23 -21.643 1.914 6.215 1.00 0.00 N ATOM 291 CA LYS A 23 -21.080 2.908 7.122 1.00 0.00 C ATOM 292 C LYS A 23 -21.011 4.277 6.453 1.00 0.00 C ATOM 293 O LYS A 23 -21.624 5.237 6.918 1.00 0.00 O ATOM 294 CB LYS A 23 -19.683 2.480 7.577 1.00 0.00 C ATOM 295 CG LYS A 23 -19.193 3.215 8.812 1.00 0.00 C ATOM 296 CD LYS A 23 -18.874 4.669 8.505 1.00 0.00 C ATOM 297 CE LYS A 23 -18.133 5.332 9.656 1.00 0.00 C ATOM 298 NZ LYS A 23 -19.049 5.687 10.775 1.00 0.00 N ATOM 0 H LYS A 23 -21.201 0.996 6.269 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.732 2.981 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.689 1.409 7.780 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.978 2.646 6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.953 3.165 9.592 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -18.303 2.721 9.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -18.269 4.727 7.600 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -19.798 5.211 8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -17.356 4.661 10.022 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.634 6.232 9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -18.505 6.136 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.776 6.347 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -19.506 4.826 11.136 1.00 0.00 H new ATOM 312 N ARG A 24 -20.261 4.358 5.358 1.00 0.00 N ATOM 313 CA ARG A 24 -20.113 5.610 4.626 1.00 0.00 C ATOM 314 C ARG A 24 -19.900 5.347 3.138 1.00 0.00 C ATOM 315 O ARG A 24 -19.404 4.290 2.747 1.00 0.00 O ATOM 316 CB ARG A 24 -18.939 6.417 5.185 1.00 0.00 C ATOM 317 CG ARG A 24 -19.096 7.919 5.013 1.00 0.00 C ATOM 318 CD ARG A 24 -17.769 8.641 5.187 1.00 0.00 C ATOM 319 NE ARG A 24 -17.435 8.842 6.594 1.00 0.00 N ATOM 320 CZ ARG A 24 -16.731 9.875 7.042 1.00 0.00 C ATOM 321 NH1 ARG A 24 -16.290 10.797 6.198 1.00 0.00 N ATOM 322 NH2 ARG A 24 -16.468 9.988 8.338 1.00 0.00 N ATOM 0 H ARG A 24 -19.747 3.572 4.959 1.00 0.00 H new ATOM 0 HA ARG A 24 -21.031 6.185 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -18.826 6.191 6.245 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.021 6.097 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -19.501 8.133 4.024 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -19.815 8.296 5.740 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -16.978 8.066 4.705 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -17.813 9.607 4.684 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.760 8.151 7.270 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -16.491 10.714 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.750 11.589 6.545 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.807 9.281 8.991 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -15.927 10.782 8.681 1.00 0.00 H new ATOM 336 N THR A 25 -20.279 6.316 2.310 1.00 0.00 N ATOM 337 CA THR A 25 -20.131 6.190 0.866 1.00 0.00 C ATOM 338 C THR A 25 -19.481 7.432 0.268 1.00 0.00 C ATOM 339 O THR A 25 -20.099 8.185 -0.485 1.00 0.00 O ATOM 340 CB THR A 25 -21.491 5.956 0.181 1.00 0.00 C ATOM 341 OG1 THR A 25 -22.396 7.015 0.514 1.00 0.00 O ATOM 342 CG2 THR A 25 -22.087 4.622 0.603 1.00 0.00 C ATOM 0 H THR A 25 -20.691 7.197 2.616 1.00 0.00 H new ATOM 0 HA THR A 25 -19.489 5.327 0.689 1.00 0.00 H new ATOM 0 HB THR A 25 -21.332 5.940 -0.897 1.00 0.00 H new ATOM 0 HG1 THR A 25 -22.042 7.865 0.179 1.00 0.00 H new ATOM 0 HG21 THR A 25 -23.047 4.479 0.107 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.409 3.816 0.322 1.00 0.00 H new ATOM 0 HG23 THR A 25 -22.232 4.614 1.683 1.00 0.00 H new ATOM 350 N PRO A 26 -18.203 7.654 0.610 1.00 0.00 N ATOM 351 CA PRO A 26 -17.440 8.805 0.116 1.00 0.00 C ATOM 352 C PRO A 26 -17.127 8.698 -1.372 1.00 0.00 C ATOM 353 O PRO A 26 -17.086 7.601 -1.930 1.00 0.00 O ATOM 354 CB PRO A 26 -16.151 8.755 0.939 1.00 0.00 C ATOM 355 CG PRO A 26 -16.005 7.325 1.330 1.00 0.00 C ATOM 356 CD PRO A 26 -17.404 6.799 1.503 1.00 0.00 C ATOM 0 HA PRO A 26 -17.994 9.738 0.223 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -15.295 9.095 0.355 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -16.216 9.400 1.815 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -15.469 6.764 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.435 7.229 2.254 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.476 5.748 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -17.737 6.877 2.538 1.00 0.00 H new ATOM 364 N MET A 27 -16.906 9.843 -2.010 1.00 0.00 N ATOM 365 CA MET A 27 -16.594 9.876 -3.434 1.00 0.00 C ATOM 366 C MET A 27 -15.149 9.456 -3.684 1.00 0.00 C ATOM 367 O MET A 27 -14.216 10.057 -3.152 1.00 0.00 O ATOM 368 CB MET A 27 -16.834 11.278 -3.997 1.00 0.00 C ATOM 369 CG MET A 27 -17.359 11.277 -5.424 1.00 0.00 C ATOM 370 SD MET A 27 -19.160 11.299 -5.501 1.00 0.00 S ATOM 371 CE MET A 27 -19.434 10.729 -7.178 1.00 0.00 C ATOM 0 H MET A 27 -16.937 10.760 -1.564 1.00 0.00 H new ATOM 0 HA MET A 27 -17.252 9.170 -3.941 1.00 0.00 H new ATOM 0 HB2 MET A 27 -17.545 11.801 -3.357 1.00 0.00 H new ATOM 0 HB3 MET A 27 -15.900 11.840 -3.962 1.00 0.00 H new ATOM 0 HG2 MET A 27 -16.966 12.146 -5.952 1.00 0.00 H new ATOM 0 HG3 MET A 27 -16.988 10.393 -5.943 1.00 0.00 H new ATOM 0 HE1 MET A 27 -20.406 10.240 -7.242 1.00 0.00 H new ATOM 0 HE2 MET A 27 -19.410 11.579 -7.860 1.00 0.00 H new ATOM 0 HE3 MET A 27 -18.653 10.021 -7.454 1.00 0.00 H new ATOM 381 N CYS A 28 -14.971 8.419 -4.496 1.00 0.00 N ATOM 382 CA CYS A 28 -13.641 7.917 -4.817 1.00 0.00 C ATOM 383 C CYS A 28 -12.721 9.054 -5.253 1.00 0.00 C ATOM 384 O CYS A 28 -13.178 10.158 -5.548 1.00 0.00 O ATOM 385 CB CYS A 28 -13.723 6.861 -5.921 1.00 0.00 C ATOM 386 SG CYS A 28 -12.369 5.643 -5.887 1.00 0.00 S ATOM 0 H CYS A 28 -15.733 7.910 -4.944 1.00 0.00 H new ATOM 0 HA CYS A 28 -13.226 7.461 -3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -14.673 6.334 -5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -13.722 7.362 -6.889 1.00 0.00 H new ATOM 0 HG CYS A 28 -12.843 4.460 -6.143 1.00 0.00 H new ATOM 391 N ALA A 29 -11.422 8.776 -5.291 1.00 0.00 N ATOM 392 CA ALA A 29 -10.438 9.773 -5.693 1.00 0.00 C ATOM 393 C ALA A 29 -9.902 9.483 -7.091 1.00 0.00 C ATOM 394 O ALA A 29 -9.653 10.400 -7.874 1.00 0.00 O ATOM 395 CB ALA A 29 -9.297 9.824 -4.688 1.00 0.00 C ATOM 0 H ALA A 29 -11.027 7.868 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.931 10.745 -5.716 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.570 10.573 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.689 10.087 -3.706 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.814 8.848 -4.636 1.00 0.00 H new ATOM 401 N HIS A 30 -9.725 8.202 -7.398 1.00 0.00 N ATOM 402 CA HIS A 30 -9.217 7.791 -8.702 1.00 0.00 C ATOM 403 C HIS A 30 -10.309 7.884 -9.764 1.00 0.00 C ATOM 404 O HIS A 30 -10.227 8.699 -10.684 1.00 0.00 O ATOM 405 CB HIS A 30 -8.675 6.363 -8.635 1.00 0.00 C ATOM 406 CG HIS A 30 -8.324 5.793 -9.975 1.00 0.00 C ATOM 407 ND1 HIS A 30 -7.217 6.191 -10.695 1.00 0.00 N ATOM 408 CD2 HIS A 30 -8.938 4.848 -10.724 1.00 0.00 C ATOM 409 CE1 HIS A 30 -7.168 5.517 -11.830 1.00 0.00 C ATOM 410 NE2 HIS A 30 -8.201 4.694 -11.872 1.00 0.00 N ATOM 0 H HIS A 30 -9.926 7.431 -6.762 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.407 8.466 -8.978 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.789 6.349 -8.000 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.418 5.723 -8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -9.841 4.314 -10.466 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -6.412 5.621 -12.594 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -8.416 4.050 -12.633 1.00 0.00 H new ATOM 419 N CYS A 31 -11.331 7.045 -9.630 1.00 0.00 N ATOM 420 CA CYS A 31 -12.438 7.031 -10.578 1.00 0.00 C ATOM 421 C CYS A 31 -13.425 8.156 -10.279 1.00 0.00 C ATOM 422 O CYS A 31 -14.239 8.523 -11.125 1.00 0.00 O ATOM 423 CB CYS A 31 -13.158 5.682 -10.533 1.00 0.00 C ATOM 424 SG CYS A 31 -14.062 5.372 -8.982 1.00 0.00 S ATOM 0 H CYS A 31 -11.415 6.366 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.030 7.185 -11.577 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.859 5.628 -11.366 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -12.427 4.887 -10.680 1.00 0.00 H new ATOM 0 HG CYS A 31 -13.238 5.440 -7.979 1.00 0.00 H new ATOM 429 N ASN A 32 -13.344 8.700 -9.069 1.00 0.00 N ATOM 430 CA ASN A 32 -14.229 9.783 -8.657 1.00 0.00 C ATOM 431 C ASN A 32 -15.686 9.331 -8.674 1.00 0.00 C ATOM 432 O ASN A 32 -16.585 10.116 -8.976 1.00 0.00 O ATOM 433 CB ASN A 32 -14.048 10.994 -9.574 1.00 0.00 C ATOM 434 CG ASN A 32 -14.840 12.199 -9.104 1.00 0.00 C ATOM 435 OD1 ASN A 32 -15.541 12.140 -8.094 1.00 0.00 O ATOM 436 ND2 ASN A 32 -14.730 13.301 -9.837 1.00 0.00 N ATOM 0 H ASN A 32 -12.674 8.408 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.967 10.065 -7.637 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -12.991 11.254 -9.623 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.359 10.730 -10.585 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.238 14.144 -9.570 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -14.137 13.304 -10.667 1.00 0.00 H new ATOM 443 N GLN A 33 -15.911 8.063 -8.349 1.00 0.00 N ATOM 444 CA GLN A 33 -17.259 7.507 -8.327 1.00 0.00 C ATOM 445 C GLN A 33 -17.686 7.169 -6.903 1.00 0.00 C ATOM 446 O GLN A 33 -16.878 6.714 -6.093 1.00 0.00 O ATOM 447 CB GLN A 33 -17.331 6.256 -9.205 1.00 0.00 C ATOM 448 CG GLN A 33 -16.865 6.487 -10.633 1.00 0.00 C ATOM 449 CD GLN A 33 -17.282 5.371 -11.571 1.00 0.00 C ATOM 450 OE1 GLN A 33 -18.114 5.568 -12.457 1.00 0.00 O ATOM 451 NE2 GLN A 33 -16.706 4.190 -11.380 1.00 0.00 N ATOM 0 H GLN A 33 -15.177 7.401 -8.097 1.00 0.00 H new ATOM 0 HA GLN A 33 -17.942 8.259 -8.722 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.722 5.471 -8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -18.358 5.892 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -17.271 7.432 -10.995 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -15.779 6.581 -10.646 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -16.021 4.071 -10.633 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -16.948 3.401 -11.980 1.00 0.00 H new ATOM 460 N VAL A 34 -18.961 7.394 -6.603 1.00 0.00 N ATOM 461 CA VAL A 34 -19.496 7.113 -5.276 1.00 0.00 C ATOM 462 C VAL A 34 -19.288 5.651 -4.898 1.00 0.00 C ATOM 463 O VAL A 34 -19.681 4.747 -5.636 1.00 0.00 O ATOM 464 CB VAL A 34 -20.997 7.444 -5.194 1.00 0.00 C ATOM 465 CG1 VAL A 34 -21.763 6.728 -6.296 1.00 0.00 C ATOM 466 CG2 VAL A 34 -21.550 7.078 -3.825 1.00 0.00 C ATOM 0 H VAL A 34 -19.643 7.770 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 34 -18.953 7.747 -4.575 1.00 0.00 H new ATOM 0 HB VAL A 34 -21.122 8.517 -5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -22.822 6.974 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -21.384 7.045 -7.268 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -21.632 5.651 -6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -22.612 7.319 -3.785 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -21.413 6.011 -3.651 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -21.021 7.642 -3.056 1.00 0.00 H new ATOM 476 N ILE A 35 -18.667 5.426 -3.745 1.00 0.00 N ATOM 477 CA ILE A 35 -18.409 4.072 -3.269 1.00 0.00 C ATOM 478 C ILE A 35 -19.572 3.553 -2.431 1.00 0.00 C ATOM 479 O ILE A 35 -19.858 4.078 -1.355 1.00 0.00 O ATOM 480 CB ILE A 35 -17.118 4.008 -2.431 1.00 0.00 C ATOM 481 CG1 ILE A 35 -15.945 4.602 -3.215 1.00 0.00 C ATOM 482 CG2 ILE A 35 -16.819 2.571 -2.029 1.00 0.00 C ATOM 483 CD1 ILE A 35 -14.886 5.228 -2.335 1.00 0.00 C ATOM 0 H ILE A 35 -18.333 6.163 -3.124 1.00 0.00 H new ATOM 0 HA ILE A 35 -18.292 3.443 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 35 -17.261 4.597 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.488 3.818 -3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -16.324 5.355 -3.905 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.904 2.542 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.646 2.179 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.692 1.962 -2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.086 5.628 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.329 6.034 -1.750 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.479 4.473 -1.662 1.00 0.00 H new ATOM 495 N ARG A 36 -20.237 2.517 -2.930 1.00 0.00 N ATOM 496 CA ARG A 36 -21.369 1.925 -2.227 1.00 0.00 C ATOM 497 C ARG A 36 -20.895 0.925 -1.177 1.00 0.00 C ATOM 498 O ARG A 36 -21.267 1.014 -0.008 1.00 0.00 O ATOM 499 CB ARG A 36 -22.307 1.233 -3.218 1.00 0.00 C ATOM 500 CG ARG A 36 -23.310 2.174 -3.867 1.00 0.00 C ATOM 501 CD ARG A 36 -24.430 1.408 -4.552 1.00 0.00 C ATOM 502 NE ARG A 36 -23.988 0.791 -5.800 1.00 0.00 N ATOM 503 CZ ARG A 36 -23.909 1.443 -6.954 1.00 0.00 C ATOM 504 NH1 ARG A 36 -24.240 2.726 -7.019 1.00 0.00 N ATOM 505 NH2 ARG A 36 -23.498 0.813 -8.047 1.00 0.00 N ATOM 0 H ARG A 36 -20.012 2.070 -3.819 1.00 0.00 H new ATOM 0 HA ARG A 36 -21.910 2.726 -1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -21.712 0.757 -3.997 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -22.847 0.440 -2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -23.731 2.837 -3.111 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -22.800 2.804 -4.596 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -24.806 0.637 -3.880 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -25.260 2.085 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 36 -23.726 -0.195 -5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.556 3.214 -6.181 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -24.178 3.224 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.242 -0.173 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -23.438 1.315 -8.933 1.00 0.00 H new ATOM 519 N GLY A 37 -20.070 -0.027 -1.603 1.00 0.00 N ATOM 520 CA GLY A 37 -19.559 -1.030 -0.688 1.00 0.00 C ATOM 521 C GLY A 37 -18.430 -0.505 0.176 1.00 0.00 C ATOM 522 O GLY A 37 -18.325 0.694 0.437 1.00 0.00 O ATOM 0 H GLY A 37 -19.747 -0.121 -2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -20.369 -1.380 -0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -19.207 -1.891 -1.257 1.00 0.00 H new ATOM 526 N PRO A 38 -17.559 -1.415 0.636 1.00 0.00 N ATOM 527 CA PRO A 38 -16.416 -1.060 1.484 1.00 0.00 C ATOM 528 C PRO A 38 -15.350 -0.281 0.722 1.00 0.00 C ATOM 529 O PRO A 38 -15.028 -0.605 -0.421 1.00 0.00 O ATOM 530 CB PRO A 38 -15.870 -2.419 1.930 1.00 0.00 C ATOM 531 CG PRO A 38 -16.297 -3.367 0.863 1.00 0.00 C ATOM 532 CD PRO A 38 -17.622 -2.861 0.364 1.00 0.00 C ATOM 0 HA PRO A 38 -16.706 -0.411 2.310 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -14.785 -2.397 2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.272 -2.708 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -15.564 -3.402 0.057 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -16.389 -4.380 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -17.756 -3.065 -0.698 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -18.455 -3.332 0.886 1.00 0.00 H new ATOM 540 N PHE A 39 -14.804 0.747 1.363 1.00 0.00 N ATOM 541 CA PHE A 39 -13.773 1.573 0.746 1.00 0.00 C ATOM 542 C PHE A 39 -12.577 1.739 1.680 1.00 0.00 C ATOM 543 O PHE A 39 -12.619 1.328 2.840 1.00 0.00 O ATOM 544 CB PHE A 39 -14.341 2.945 0.377 1.00 0.00 C ATOM 545 CG PHE A 39 -14.700 3.785 1.570 1.00 0.00 C ATOM 546 CD1 PHE A 39 -13.733 4.525 2.229 1.00 0.00 C ATOM 547 CD2 PHE A 39 -16.006 3.833 2.032 1.00 0.00 C ATOM 548 CE1 PHE A 39 -14.060 5.300 3.326 1.00 0.00 C ATOM 549 CE2 PHE A 39 -16.339 4.606 3.128 1.00 0.00 C ATOM 550 CZ PHE A 39 -15.365 5.339 3.777 1.00 0.00 C ATOM 0 H PHE A 39 -15.059 1.028 2.310 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.436 1.071 -0.161 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.610 3.481 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -15.228 2.808 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -12.711 4.496 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -16.772 3.260 1.530 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -13.296 5.874 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -17.361 4.637 3.477 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.623 5.941 4.635 1.00 0.00 H new ATOM 560 N LEU A 40 -11.513 2.345 1.165 1.00 0.00 N ATOM 561 CA LEU A 40 -10.304 2.566 1.952 1.00 0.00 C ATOM 562 C LEU A 40 -10.020 4.057 2.106 1.00 0.00 C ATOM 563 O LEU A 40 -9.927 4.787 1.119 1.00 0.00 O ATOM 564 CB LEU A 40 -9.110 1.873 1.294 1.00 0.00 C ATOM 565 CG LEU A 40 -9.416 0.576 0.544 1.00 0.00 C ATOM 566 CD1 LEU A 40 -8.272 0.218 -0.392 1.00 0.00 C ATOM 567 CD2 LEU A 40 -9.680 -0.557 1.525 1.00 0.00 C ATOM 0 H LEU A 40 -11.462 2.692 0.207 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.462 2.141 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.649 2.572 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.370 1.657 2.065 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.314 0.728 -0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.508 -0.708 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.130 1.020 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.357 0.085 0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.896 -1.472 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.800 -0.709 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.533 -0.302 2.154 1.00 0.00 H new ATOM 579 N VAL A 41 -9.881 4.502 3.351 1.00 0.00 N ATOM 580 CA VAL A 41 -9.604 5.905 3.635 1.00 0.00 C ATOM 581 C VAL A 41 -8.132 6.118 3.968 1.00 0.00 C ATOM 582 O VAL A 41 -7.648 5.666 5.005 1.00 0.00 O ATOM 583 CB VAL A 41 -10.464 6.421 4.804 1.00 0.00 C ATOM 584 CG1 VAL A 41 -10.459 5.423 5.952 1.00 0.00 C ATOM 585 CG2 VAL A 41 -9.968 7.783 5.268 1.00 0.00 C ATOM 0 H VAL A 41 -9.956 3.911 4.179 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.854 6.466 2.735 1.00 0.00 H new ATOM 0 HB VAL A 41 -11.491 6.532 4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.072 5.805 6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.864 4.471 5.608 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.437 5.277 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.586 8.133 6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.933 7.700 5.599 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.029 8.493 4.443 1.00 0.00 H new ATOM 595 N ALA A 42 -7.424 6.810 3.080 1.00 0.00 N ATOM 596 CA ALA A 42 -6.007 7.085 3.281 1.00 0.00 C ATOM 597 C ALA A 42 -5.616 8.425 2.668 1.00 0.00 C ATOM 598 O ALA A 42 -6.383 9.020 1.909 1.00 0.00 O ATOM 599 CB ALA A 42 -5.163 5.966 2.690 1.00 0.00 C ATOM 0 H ALA A 42 -7.809 7.190 2.215 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.821 7.137 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.107 6.185 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.415 5.024 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.362 5.886 1.621 1.00 0.00 H new ATOM 605 N LEU A 43 -4.420 8.896 3.001 1.00 0.00 N ATOM 606 CA LEU A 43 -3.927 10.168 2.483 1.00 0.00 C ATOM 607 C LEU A 43 -5.026 11.226 2.499 1.00 0.00 C ATOM 608 O LEU A 43 -5.104 12.068 1.606 1.00 0.00 O ATOM 609 CB LEU A 43 -3.396 9.990 1.059 1.00 0.00 C ATOM 610 CG LEU A 43 -2.029 9.317 0.931 1.00 0.00 C ATOM 611 CD1 LEU A 43 -1.011 10.003 1.829 1.00 0.00 C ATOM 612 CD2 LEU A 43 -2.129 7.837 1.270 1.00 0.00 C ATOM 0 H LEU A 43 -3.773 8.417 3.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.115 10.504 3.128 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.121 9.405 0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.341 10.971 0.588 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.694 9.411 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.044 9.511 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.918 11.050 1.540 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.340 9.941 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.147 7.374 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.486 7.721 2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.827 7.353 0.586 1.00 0.00 H new ATOM 624 N GLY A 44 -5.872 11.176 3.523 1.00 0.00 N ATOM 625 CA GLY A 44 -6.954 12.137 3.639 1.00 0.00 C ATOM 626 C GLY A 44 -7.944 12.034 2.495 1.00 0.00 C ATOM 627 O GLY A 44 -8.438 13.047 1.999 1.00 0.00 O ATOM 0 H GLY A 44 -5.828 10.488 4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.476 11.980 4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.540 13.145 3.668 1.00 0.00 H new ATOM 631 N LYS A 45 -8.235 10.808 2.074 1.00 0.00 N ATOM 632 CA LYS A 45 -9.172 10.576 0.982 1.00 0.00 C ATOM 633 C LYS A 45 -9.625 9.119 0.954 1.00 0.00 C ATOM 634 O LYS A 45 -9.135 8.292 1.723 1.00 0.00 O ATOM 635 CB LYS A 45 -8.529 10.947 -0.356 1.00 0.00 C ATOM 636 CG LYS A 45 -8.717 12.405 -0.737 1.00 0.00 C ATOM 637 CD LYS A 45 -8.700 12.595 -2.245 1.00 0.00 C ATOM 638 CE LYS A 45 -8.664 14.068 -2.621 1.00 0.00 C ATOM 639 NZ LYS A 45 -7.378 14.709 -2.231 1.00 0.00 N ATOM 0 H LYS A 45 -7.835 9.959 2.473 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.046 11.207 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.462 10.727 -0.311 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.951 10.318 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.663 12.768 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.927 13.005 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.831 12.090 -2.667 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.583 12.129 -2.681 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.810 14.172 -3.696 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.490 14.587 -2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.268 15.607 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.378 14.893 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.588 14.076 -2.469 1.00 0.00 H new ATOM 653 N SER A 46 -10.561 8.812 0.061 1.00 0.00 N ATOM 654 CA SER A 46 -11.081 7.456 -0.065 1.00 0.00 C ATOM 655 C SER A 46 -10.675 6.841 -1.402 1.00 0.00 C ATOM 656 O SER A 46 -10.341 7.553 -2.348 1.00 0.00 O ATOM 657 CB SER A 46 -12.605 7.457 0.067 1.00 0.00 C ATOM 658 OG SER A 46 -13.221 7.884 -1.136 1.00 0.00 O ATOM 0 H SER A 46 -10.974 9.484 -0.585 1.00 0.00 H new ATOM 0 HA SER A 46 -10.655 6.854 0.737 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.952 6.455 0.321 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.902 8.114 0.884 1.00 0.00 H new ATOM 0 HG SER A 46 -13.218 8.863 -1.175 1.00 0.00 H new ATOM 664 N TRP A 47 -10.708 5.515 -1.469 1.00 0.00 N ATOM 665 CA TRP A 47 -10.343 4.804 -2.689 1.00 0.00 C ATOM 666 C TRP A 47 -11.022 3.439 -2.747 1.00 0.00 C ATOM 667 O TRP A 47 -11.453 2.906 -1.724 1.00 0.00 O ATOM 668 CB TRP A 47 -8.825 4.636 -2.772 1.00 0.00 C ATOM 669 CG TRP A 47 -8.068 5.844 -2.310 1.00 0.00 C ATOM 670 CD1 TRP A 47 -8.009 6.336 -1.037 1.00 0.00 C ATOM 671 CD2 TRP A 47 -7.264 6.711 -3.116 1.00 0.00 C ATOM 672 NE1 TRP A 47 -7.217 7.458 -1.004 1.00 0.00 N ATOM 673 CE2 TRP A 47 -6.746 7.709 -2.266 1.00 0.00 C ATOM 674 CE3 TRP A 47 -6.928 6.742 -4.472 1.00 0.00 C ATOM 675 CZ2 TRP A 47 -5.914 8.724 -2.730 1.00 0.00 C ATOM 676 CZ3 TRP A 47 -6.102 7.750 -4.931 1.00 0.00 C ATOM 677 CH2 TRP A 47 -5.602 8.729 -4.063 1.00 0.00 C ATOM 0 H TRP A 47 -10.983 4.911 -0.694 1.00 0.00 H new ATOM 0 HA TRP A 47 -10.683 5.395 -3.540 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -8.528 3.778 -2.169 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -8.547 4.414 -3.802 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.511 5.906 -0.183 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.013 8.014 -0.174 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.307 5.991 -5.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.528 9.480 -2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.837 7.784 -5.977 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.958 9.503 -4.453 1.00 0.00 H new ATOM 688 N HIS A 48 -11.114 2.879 -3.948 1.00 0.00 N ATOM 689 CA HIS A 48 -11.740 1.575 -4.138 1.00 0.00 C ATOM 690 C HIS A 48 -10.747 0.450 -3.861 1.00 0.00 C ATOM 691 O HIS A 48 -9.595 0.485 -4.294 1.00 0.00 O ATOM 692 CB HIS A 48 -12.286 1.450 -5.561 1.00 0.00 C ATOM 693 CG HIS A 48 -13.696 1.932 -5.706 1.00 0.00 C ATOM 694 ND1 HIS A 48 -14.063 2.936 -6.577 1.00 0.00 N ATOM 695 CD2 HIS A 48 -14.834 1.541 -5.085 1.00 0.00 C ATOM 696 CE1 HIS A 48 -15.364 3.143 -6.485 1.00 0.00 C ATOM 697 NE2 HIS A 48 -15.856 2.308 -5.586 1.00 0.00 N ATOM 0 H HIS A 48 -10.763 3.307 -4.805 1.00 0.00 H new ATOM 0 HA HIS A 48 -12.566 1.490 -3.431 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.646 2.016 -6.238 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.234 0.406 -5.871 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -14.921 0.769 -4.335 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.930 3.870 -7.048 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -16.836 2.244 -5.310 1.00 0.00 H new ATOM 705 N PRO A 49 -11.202 -0.572 -3.121 1.00 0.00 N ATOM 706 CA PRO A 49 -10.369 -1.726 -2.769 1.00 0.00 C ATOM 707 C PRO A 49 -10.061 -2.608 -3.975 1.00 0.00 C ATOM 708 O PRO A 49 -9.351 -3.606 -3.859 1.00 0.00 O ATOM 709 CB PRO A 49 -11.228 -2.487 -1.756 1.00 0.00 C ATOM 710 CG PRO A 49 -12.630 -2.100 -2.081 1.00 0.00 C ATOM 711 CD PRO A 49 -12.564 -0.680 -2.572 1.00 0.00 C ATOM 0 HA PRO A 49 -9.396 -1.424 -2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -11.084 -3.564 -1.845 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -10.969 -2.214 -0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.050 -2.757 -2.843 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -13.271 -2.180 -1.203 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -13.320 -0.482 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -12.729 0.033 -1.764 1.00 0.00 H new ATOM 719 N GLU A 50 -10.599 -2.231 -5.130 1.00 0.00 N ATOM 720 CA GLU A 50 -10.381 -2.989 -6.357 1.00 0.00 C ATOM 721 C GLU A 50 -9.425 -2.251 -7.290 1.00 0.00 C ATOM 722 O GLU A 50 -8.754 -2.864 -8.118 1.00 0.00 O ATOM 723 CB GLU A 50 -11.711 -3.243 -7.069 1.00 0.00 C ATOM 724 CG GLU A 50 -12.551 -4.331 -6.420 1.00 0.00 C ATOM 725 CD GLU A 50 -13.548 -4.949 -7.381 1.00 0.00 C ATOM 726 OE1 GLU A 50 -14.394 -4.205 -7.919 1.00 0.00 O ATOM 727 OE2 GLU A 50 -13.481 -6.178 -7.594 1.00 0.00 O ATOM 0 H GLU A 50 -11.188 -1.406 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.933 -3.945 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.285 -2.317 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.512 -3.518 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.894 -5.110 -6.033 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.085 -3.912 -5.567 1.00 0.00 H new ATOM 734 N GLU A 51 -9.370 -0.930 -7.147 1.00 0.00 N ATOM 735 CA GLU A 51 -8.498 -0.109 -7.978 1.00 0.00 C ATOM 736 C GLU A 51 -7.217 0.252 -7.230 1.00 0.00 C ATOM 737 O GLU A 51 -6.130 0.261 -7.808 1.00 0.00 O ATOM 738 CB GLU A 51 -9.223 1.166 -8.413 1.00 0.00 C ATOM 739 CG GLU A 51 -10.545 0.904 -9.116 1.00 0.00 C ATOM 740 CD GLU A 51 -11.542 2.030 -8.923 1.00 0.00 C ATOM 741 OE1 GLU A 51 -11.150 3.080 -8.371 1.00 0.00 O ATOM 742 OE2 GLU A 51 -12.713 1.863 -9.322 1.00 0.00 O ATOM 0 H GLU A 51 -9.918 -0.407 -6.464 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.232 -0.687 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.404 1.788 -7.536 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.573 1.734 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.364 0.763 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.974 -0.025 -8.740 1.00 0.00 H new ATOM 749 N PHE A 52 -7.354 0.550 -5.943 1.00 0.00 N ATOM 750 CA PHE A 52 -6.210 0.914 -5.116 1.00 0.00 C ATOM 751 C PHE A 52 -5.035 -0.026 -5.370 1.00 0.00 C ATOM 752 O PHE A 52 -4.971 -1.121 -4.814 1.00 0.00 O ATOM 753 CB PHE A 52 -6.592 0.881 -3.635 1.00 0.00 C ATOM 754 CG PHE A 52 -5.654 1.656 -2.756 1.00 0.00 C ATOM 755 CD1 PHE A 52 -5.301 2.958 -3.074 1.00 0.00 C ATOM 756 CD2 PHE A 52 -5.123 1.084 -1.610 1.00 0.00 C ATOM 757 CE1 PHE A 52 -4.437 3.674 -2.267 1.00 0.00 C ATOM 758 CE2 PHE A 52 -4.259 1.795 -0.799 1.00 0.00 C ATOM 759 CZ PHE A 52 -3.916 3.092 -1.128 1.00 0.00 C ATOM 0 H PHE A 52 -8.247 0.547 -5.450 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.908 1.927 -5.383 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.599 1.281 -3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.620 -0.155 -3.298 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.706 3.419 -3.963 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.388 0.070 -1.348 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.170 4.688 -2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.853 1.337 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.241 3.650 -0.496 1.00 0.00 H new ATOM 769 N ASN A 53 -4.107 0.412 -6.215 1.00 0.00 N ATOM 770 CA ASN A 53 -2.934 -0.390 -6.545 1.00 0.00 C ATOM 771 C ASN A 53 -1.654 0.420 -6.366 1.00 0.00 C ATOM 772 O ASN A 53 -1.698 1.621 -6.099 1.00 0.00 O ATOM 773 CB ASN A 53 -3.029 -0.903 -7.983 1.00 0.00 C ATOM 774 CG ASN A 53 -3.627 0.124 -8.925 1.00 0.00 C ATOM 775 OD1 ASN A 53 -3.246 1.295 -8.907 1.00 0.00 O ATOM 776 ND2 ASN A 53 -4.568 -0.310 -9.755 1.00 0.00 N ATOM 0 H ASN A 53 -4.144 1.317 -6.683 1.00 0.00 H new ATOM 0 HA ASN A 53 -2.903 -1.241 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -2.034 -1.178 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.636 -1.808 -8.004 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.006 0.336 -10.412 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.853 -1.289 -9.736 1.00 0.00 H new ATOM 783 N CYS A 54 -0.513 -0.246 -6.515 1.00 0.00 N ATOM 784 CA CYS A 54 0.780 0.410 -6.370 1.00 0.00 C ATOM 785 C CYS A 54 1.121 1.221 -7.616 1.00 0.00 C ATOM 786 O CYS A 54 0.418 1.155 -8.624 1.00 0.00 O ATOM 787 CB CYS A 54 1.875 -0.627 -6.108 1.00 0.00 C ATOM 788 SG CYS A 54 3.338 0.038 -5.250 1.00 0.00 S ATOM 0 H CYS A 54 -0.459 -1.240 -6.736 1.00 0.00 H new ATOM 0 HA CYS A 54 0.721 1.090 -5.520 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.457 -1.439 -5.514 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.189 -1.057 -7.059 1.00 0.00 H new ATOM 0 HG CYS A 54 3.174 1.309 -5.035 1.00 0.00 H new ATOM 793 N ALA A 55 2.205 1.987 -7.539 1.00 0.00 N ATOM 794 CA ALA A 55 2.641 2.809 -8.661 1.00 0.00 C ATOM 795 C ALA A 55 3.652 2.065 -9.527 1.00 0.00 C ATOM 796 O ALA A 55 3.821 2.374 -10.707 1.00 0.00 O ATOM 797 CB ALA A 55 3.235 4.116 -8.157 1.00 0.00 C ATOM 0 H ALA A 55 2.797 2.055 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 55 1.770 3.032 -9.277 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.557 4.720 -9.005 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.483 4.662 -7.587 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.092 3.904 -7.517 1.00 0.00 H new ATOM 803 N HIS A 56 4.324 1.084 -8.933 1.00 0.00 N ATOM 804 CA HIS A 56 5.320 0.296 -9.651 1.00 0.00 C ATOM 805 C HIS A 56 4.844 -1.141 -9.838 1.00 0.00 C ATOM 806 O HIS A 56 4.798 -1.650 -10.958 1.00 0.00 O ATOM 807 CB HIS A 56 6.651 0.310 -8.899 1.00 0.00 C ATOM 808 CG HIS A 56 7.581 -0.791 -9.306 1.00 0.00 C ATOM 809 ND1 HIS A 56 8.543 -0.640 -10.283 1.00 0.00 N ATOM 810 CD2 HIS A 56 7.694 -2.064 -8.862 1.00 0.00 C ATOM 811 CE1 HIS A 56 9.206 -1.774 -10.423 1.00 0.00 C ATOM 812 NE2 HIS A 56 8.711 -2.654 -9.572 1.00 0.00 N ATOM 0 H HIS A 56 4.197 0.816 -7.957 1.00 0.00 H new ATOM 0 HA HIS A 56 5.462 0.744 -10.634 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.142 1.269 -9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 56 6.455 0.232 -7.830 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.096 -2.530 -8.093 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.015 -1.951 -11.116 1.00 0.00 H new ATOM 0 HE2 HIS A 56 9.032 -3.616 -9.460 1.00 0.00 H new ATOM 821 N CYS A 57 4.490 -1.791 -8.734 1.00 0.00 N ATOM 822 CA CYS A 57 4.018 -3.170 -8.775 1.00 0.00 C ATOM 823 C CYS A 57 2.495 -3.221 -8.844 1.00 0.00 C ATOM 824 O CYS A 57 1.891 -4.284 -8.695 1.00 0.00 O ATOM 825 CB CYS A 57 4.511 -3.937 -7.547 1.00 0.00 C ATOM 826 SG CYS A 57 3.658 -3.491 -6.000 1.00 0.00 S ATOM 0 H CYS A 57 4.521 -1.384 -7.799 1.00 0.00 H new ATOM 0 HA CYS A 57 4.421 -3.639 -9.673 1.00 0.00 H new ATOM 0 HB2 CYS A 57 4.385 -5.005 -7.724 1.00 0.00 H new ATOM 0 HB3 CYS A 57 5.579 -3.758 -7.425 1.00 0.00 H new ATOM 0 HG CYS A 57 3.793 -2.217 -5.782 1.00 0.00 H new ATOM 831 N LYS A 58 1.879 -2.066 -9.069 1.00 0.00 N ATOM 832 CA LYS A 58 0.426 -1.978 -9.159 1.00 0.00 C ATOM 833 C LYS A 58 -0.235 -3.164 -8.466 1.00 0.00 C ATOM 834 O LYS A 58 -1.058 -3.862 -9.058 1.00 0.00 O ATOM 835 CB LYS A 58 -0.012 -1.921 -10.624 1.00 0.00 C ATOM 836 CG LYS A 58 0.887 -2.711 -11.560 1.00 0.00 C ATOM 837 CD LYS A 58 0.597 -4.200 -11.485 1.00 0.00 C ATOM 838 CE LYS A 58 0.873 -4.889 -12.813 1.00 0.00 C ATOM 839 NZ LYS A 58 0.949 -6.369 -12.665 1.00 0.00 N ATOM 0 H LYS A 58 2.363 -1.177 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 58 0.111 -1.064 -8.656 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.030 -2.302 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.034 -0.880 -10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.745 -2.363 -12.583 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.931 -2.529 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.209 -4.652 -10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.444 -4.355 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.087 -4.635 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.810 -4.517 -13.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.138 -6.801 -13.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.716 -6.613 -12.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.046 -6.728 -12.294 1.00 0.00 H new ATOM 853 N ASN A 59 0.129 -3.386 -7.207 1.00 0.00 N ATOM 854 CA ASN A 59 -0.430 -4.489 -6.433 1.00 0.00 C ATOM 855 C ASN A 59 -1.429 -3.976 -5.400 1.00 0.00 C ATOM 856 O ASN A 59 -1.431 -2.794 -5.054 1.00 0.00 O ATOM 857 CB ASN A 59 0.687 -5.268 -5.735 1.00 0.00 C ATOM 858 CG ASN A 59 1.173 -4.578 -4.475 1.00 0.00 C ATOM 859 OD1 ASN A 59 0.756 -3.462 -4.165 1.00 0.00 O ATOM 860 ND2 ASN A 59 2.059 -5.242 -3.742 1.00 0.00 N ATOM 0 H ASN A 59 0.808 -2.817 -6.701 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.953 -5.154 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.328 -6.266 -5.484 1.00 0.00 H new ATOM 0 HB3 ASN A 59 1.523 -5.394 -6.423 1.00 0.00 H new ATOM 0 HD21 ASN A 59 2.422 -4.829 -2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.376 -6.165 -4.038 1.00 0.00 H new ATOM 867 N THR A 60 -2.279 -4.873 -4.910 1.00 0.00 N ATOM 868 CA THR A 60 -3.283 -4.513 -3.917 1.00 0.00 C ATOM 869 C THR A 60 -2.634 -3.959 -2.654 1.00 0.00 C ATOM 870 O THR A 60 -1.950 -4.681 -1.929 1.00 0.00 O ATOM 871 CB THR A 60 -4.161 -5.722 -3.542 1.00 0.00 C ATOM 872 OG1 THR A 60 -5.143 -5.333 -2.575 1.00 0.00 O ATOM 873 CG2 THR A 60 -3.313 -6.854 -2.983 1.00 0.00 C ATOM 0 H THR A 60 -2.292 -5.855 -5.185 1.00 0.00 H new ATOM 0 HA THR A 60 -3.910 -3.743 -4.367 1.00 0.00 H new ATOM 0 HB THR A 60 -4.660 -6.074 -4.445 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.698 -6.107 -2.343 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.955 -7.696 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.586 -7.168 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.790 -6.510 -2.091 1.00 0.00 H new ATOM 881 N MET A 61 -2.854 -2.674 -2.396 1.00 0.00 N ATOM 882 CA MET A 61 -2.292 -2.024 -1.218 1.00 0.00 C ATOM 883 C MET A 61 -3.352 -1.847 -0.137 1.00 0.00 C ATOM 884 O MET A 61 -3.389 -0.824 0.548 1.00 0.00 O ATOM 885 CB MET A 61 -1.697 -0.666 -1.594 1.00 0.00 C ATOM 886 CG MET A 61 -0.656 -0.742 -2.699 1.00 0.00 C ATOM 887 SD MET A 61 0.390 0.724 -2.770 1.00 0.00 S ATOM 888 CE MET A 61 -0.783 1.950 -3.345 1.00 0.00 C ATOM 0 H MET A 61 -3.417 -2.062 -2.987 1.00 0.00 H new ATOM 0 HA MET A 61 -1.501 -2.662 -0.824 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.501 -0.001 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.243 -0.220 -0.709 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.032 -1.622 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.158 -0.872 -3.658 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.367 2.477 -4.204 1.00 0.00 H new ATOM 0 HE2 MET A 61 -1.711 1.458 -3.636 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.986 2.663 -2.546 1.00 0.00 H new ATOM 898 N ALA A 62 -4.213 -2.848 0.012 1.00 0.00 N ATOM 899 CA ALA A 62 -5.273 -2.803 1.012 1.00 0.00 C ATOM 900 C ALA A 62 -4.789 -3.350 2.350 1.00 0.00 C ATOM 901 O ALA A 62 -4.932 -2.700 3.386 1.00 0.00 O ATOM 902 CB ALA A 62 -6.488 -3.581 0.529 1.00 0.00 C ATOM 0 H ALA A 62 -4.197 -3.701 -0.547 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.557 -1.761 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.271 -3.539 1.286 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.856 -3.143 -0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.209 -4.620 0.354 1.00 0.00 H new ATOM 908 N TYR A 63 -4.217 -4.549 2.322 1.00 0.00 N ATOM 909 CA TYR A 63 -3.716 -5.185 3.534 1.00 0.00 C ATOM 910 C TYR A 63 -2.327 -4.662 3.889 1.00 0.00 C ATOM 911 O TYR A 63 -2.077 -4.255 5.024 1.00 0.00 O ATOM 912 CB TYR A 63 -3.670 -6.704 3.356 1.00 0.00 C ATOM 913 CG TYR A 63 -4.943 -7.285 2.784 1.00 0.00 C ATOM 914 CD1 TYR A 63 -6.058 -7.490 3.587 1.00 0.00 C ATOM 915 CD2 TYR A 63 -5.031 -7.629 1.441 1.00 0.00 C ATOM 916 CE1 TYR A 63 -7.224 -8.022 3.069 1.00 0.00 C ATOM 917 CE2 TYR A 63 -6.192 -8.160 0.914 1.00 0.00 C ATOM 918 CZ TYR A 63 -7.286 -8.354 1.731 1.00 0.00 C ATOM 919 OH TYR A 63 -8.444 -8.884 1.210 1.00 0.00 O ATOM 0 H TYR A 63 -4.089 -5.100 1.473 1.00 0.00 H new ATOM 0 HA TYR A 63 -4.396 -4.941 4.350 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.837 -6.960 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.470 -7.169 4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.013 -7.229 4.634 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -4.177 -7.479 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -8.081 -8.177 3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.243 -8.422 -0.133 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.322 -9.061 0.254 1.00 0.00 H new ATOM 929 N ILE A 64 -1.429 -4.674 2.910 1.00 0.00 N ATOM 930 CA ILE A 64 -0.067 -4.200 3.117 1.00 0.00 C ATOM 931 C ILE A 64 -0.036 -2.689 3.325 1.00 0.00 C ATOM 932 O ILE A 64 -1.063 -2.018 3.231 1.00 0.00 O ATOM 933 CB ILE A 64 0.843 -4.561 1.928 1.00 0.00 C ATOM 934 CG1 ILE A 64 0.305 -3.938 0.639 1.00 0.00 C ATOM 935 CG2 ILE A 64 0.954 -6.072 1.787 1.00 0.00 C ATOM 936 CD1 ILE A 64 1.234 -4.099 -0.544 1.00 0.00 C ATOM 0 H ILE A 64 -1.621 -5.007 1.965 1.00 0.00 H new ATOM 0 HA ILE A 64 0.306 -4.696 4.013 1.00 0.00 H new ATOM 0 HB ILE A 64 1.839 -4.159 2.115 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.657 -4.392 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.124 -2.876 0.806 1.00 0.00 H new ATOM 0 HG21 ILE A 64 1.600 -6.312 0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.378 -6.492 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.036 -6.495 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.788 -3.633 -1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.188 -3.620 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.396 -5.159 -0.738 1.00 0.00 H new ATOM 948 N GLY A 65 1.150 -2.160 3.608 1.00 0.00 N ATOM 949 CA GLY A 65 1.293 -0.732 3.823 1.00 0.00 C ATOM 950 C GLY A 65 1.539 0.027 2.534 1.00 0.00 C ATOM 951 O GLY A 65 1.390 -0.523 1.443 1.00 0.00 O ATOM 0 H GLY A 65 2.014 -2.695 3.692 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.392 -0.348 4.301 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.120 -0.552 4.510 1.00 0.00 H new ATOM 955 N PHE A 66 1.915 1.296 2.658 1.00 0.00 N ATOM 956 CA PHE A 66 2.179 2.132 1.494 1.00 0.00 C ATOM 957 C PHE A 66 2.802 3.462 1.909 1.00 0.00 C ATOM 958 O PHE A 66 2.646 3.905 3.048 1.00 0.00 O ATOM 959 CB PHE A 66 0.886 2.383 0.715 1.00 0.00 C ATOM 960 CG PHE A 66 -0.238 2.895 1.569 1.00 0.00 C ATOM 961 CD1 PHE A 66 -0.240 4.205 2.023 1.00 0.00 C ATOM 962 CD2 PHE A 66 -1.293 2.068 1.918 1.00 0.00 C ATOM 963 CE1 PHE A 66 -1.273 4.678 2.810 1.00 0.00 C ATOM 964 CE2 PHE A 66 -2.329 2.536 2.704 1.00 0.00 C ATOM 965 CZ PHE A 66 -2.319 3.843 3.150 1.00 0.00 C ATOM 0 H PHE A 66 2.044 1.767 3.553 1.00 0.00 H new ATOM 0 HA PHE A 66 2.885 1.604 0.852 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.084 3.102 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.574 1.455 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.575 4.863 1.759 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.306 1.045 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.262 5.700 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.145 1.880 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.128 4.211 3.764 1.00 0.00 H new ATOM 975 N VAL A 67 3.509 4.095 0.978 1.00 0.00 N ATOM 976 CA VAL A 67 4.155 5.374 1.246 1.00 0.00 C ATOM 977 C VAL A 67 3.925 6.356 0.103 1.00 0.00 C ATOM 978 O VAL A 67 4.129 6.023 -1.064 1.00 0.00 O ATOM 979 CB VAL A 67 5.670 5.202 1.464 1.00 0.00 C ATOM 980 CG1 VAL A 67 6.358 6.558 1.526 1.00 0.00 C ATOM 981 CG2 VAL A 67 5.939 4.401 2.729 1.00 0.00 C ATOM 0 H VAL A 67 3.649 3.742 0.031 1.00 0.00 H new ATOM 0 HA VAL A 67 3.707 5.771 2.157 1.00 0.00 H new ATOM 0 HB VAL A 67 6.081 4.651 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.428 6.417 1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.194 7.092 0.590 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.946 7.138 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.014 4.289 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 67 5.515 4.923 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 67 5.480 3.416 2.640 1.00 0.00 H new ATOM 991 N GLU A 68 3.500 7.567 0.448 1.00 0.00 N ATOM 992 CA GLU A 68 3.242 8.598 -0.551 1.00 0.00 C ATOM 993 C GLU A 68 4.489 9.445 -0.793 1.00 0.00 C ATOM 994 O GLU A 68 5.037 10.039 0.134 1.00 0.00 O ATOM 995 CB GLU A 68 2.084 9.493 -0.105 1.00 0.00 C ATOM 996 CG GLU A 68 1.978 10.789 -0.892 1.00 0.00 C ATOM 997 CD GLU A 68 0.730 11.579 -0.549 1.00 0.00 C ATOM 998 OE1 GLU A 68 -0.378 11.119 -0.895 1.00 0.00 O ATOM 999 OE2 GLU A 68 0.862 12.658 0.066 1.00 0.00 O ATOM 0 H GLU A 68 3.327 7.858 1.410 1.00 0.00 H new ATOM 0 HA GLU A 68 2.972 8.104 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.150 8.940 -0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.204 9.729 0.952 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.857 11.402 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.979 10.563 -1.958 1.00 0.00 H new ATOM 1006 N GLU A 69 4.930 9.493 -2.047 1.00 0.00 N ATOM 1007 CA GLU A 69 6.112 10.265 -2.411 1.00 0.00 C ATOM 1008 C GLU A 69 6.039 10.718 -3.866 1.00 0.00 C ATOM 1009 O GLU A 69 5.916 9.899 -4.778 1.00 0.00 O ATOM 1010 CB GLU A 69 7.378 9.437 -2.185 1.00 0.00 C ATOM 1011 CG GLU A 69 8.661 10.246 -2.287 1.00 0.00 C ATOM 1012 CD GLU A 69 8.856 11.180 -1.108 1.00 0.00 C ATOM 1013 OE1 GLU A 69 8.810 10.701 0.044 1.00 0.00 O ATOM 1014 OE2 GLU A 69 9.054 12.392 -1.339 1.00 0.00 O ATOM 0 H GLU A 69 4.487 9.007 -2.826 1.00 0.00 H new ATOM 0 HA GLU A 69 6.147 11.150 -1.775 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.328 8.974 -1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.409 8.629 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.511 9.566 -2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.647 10.828 -3.209 1.00 0.00 H new ATOM 1021 N LYS A 70 6.116 12.027 -4.077 1.00 0.00 N ATOM 1022 CA LYS A 70 6.060 12.591 -5.421 1.00 0.00 C ATOM 1023 C LYS A 70 4.755 12.214 -6.115 1.00 0.00 C ATOM 1024 O LYS A 70 4.751 11.834 -7.285 1.00 0.00 O ATOM 1025 CB LYS A 70 7.251 12.105 -6.250 1.00 0.00 C ATOM 1026 CG LYS A 70 8.478 12.991 -6.129 1.00 0.00 C ATOM 1027 CD LYS A 70 9.329 12.939 -7.387 1.00 0.00 C ATOM 1028 CE LYS A 70 8.894 13.990 -8.397 1.00 0.00 C ATOM 1029 NZ LYS A 70 9.557 13.798 -9.717 1.00 0.00 N ATOM 0 H LYS A 70 6.217 12.718 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 70 6.104 13.677 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.511 11.094 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.955 12.049 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.169 14.019 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.073 12.675 -5.272 1.00 0.00 H new ATOM 0 HD2 LYS A 70 10.376 13.095 -7.126 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.256 11.949 -7.836 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.812 13.946 -8.524 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.130 14.982 -8.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.235 14.534 -10.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.588 13.865 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.312 12.861 -10.096 1.00 0.00 H new ATOM 1043 N GLY A 71 3.649 12.321 -5.386 1.00 0.00 N ATOM 1044 CA GLY A 71 2.353 11.989 -5.949 1.00 0.00 C ATOM 1045 C GLY A 71 2.271 10.545 -6.402 1.00 0.00 C ATOM 1046 O GLY A 71 1.919 10.266 -7.547 1.00 0.00 O ATOM 0 H GLY A 71 3.627 12.632 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.578 12.178 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.149 12.644 -6.796 1.00 0.00 H new ATOM 1050 N ALA A 72 2.599 9.625 -5.501 1.00 0.00 N ATOM 1051 CA ALA A 72 2.560 8.201 -5.814 1.00 0.00 C ATOM 1052 C ALA A 72 2.637 7.358 -4.546 1.00 0.00 C ATOM 1053 O ALA A 72 3.350 7.701 -3.602 1.00 0.00 O ATOM 1054 CB ALA A 72 3.695 7.838 -6.761 1.00 0.00 C ATOM 0 H ALA A 72 2.895 9.840 -4.549 1.00 0.00 H new ATOM 0 HA ALA A 72 1.610 7.988 -6.304 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.654 6.772 -6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.595 8.408 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.650 8.073 -6.291 1.00 0.00 H new ATOM 1060 N LEU A 73 1.898 6.254 -4.530 1.00 0.00 N ATOM 1061 CA LEU A 73 1.882 5.361 -3.376 1.00 0.00 C ATOM 1062 C LEU A 73 2.716 4.112 -3.642 1.00 0.00 C ATOM 1063 O LEU A 73 2.480 3.390 -4.611 1.00 0.00 O ATOM 1064 CB LEU A 73 0.445 4.965 -3.033 1.00 0.00 C ATOM 1065 CG LEU A 73 -0.488 6.107 -2.628 1.00 0.00 C ATOM 1066 CD1 LEU A 73 -1.903 5.592 -2.421 1.00 0.00 C ATOM 1067 CD2 LEU A 73 0.023 6.791 -1.368 1.00 0.00 C ATOM 0 H LEU A 73 1.302 5.956 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 73 2.318 5.893 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.013 4.459 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.474 4.240 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.505 6.840 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -2.553 6.419 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.268 5.149 -3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.904 4.838 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.653 7.601 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.070 6.067 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.018 7.195 -1.552 1.00 0.00 H new ATOM 1079 N TYR A 74 3.691 3.863 -2.776 1.00 0.00 N ATOM 1080 CA TYR A 74 4.561 2.701 -2.917 1.00 0.00 C ATOM 1081 C TYR A 74 4.456 1.790 -1.698 1.00 0.00 C ATOM 1082 O TYR A 74 4.626 2.233 -0.561 1.00 0.00 O ATOM 1083 CB TYR A 74 6.012 3.144 -3.113 1.00 0.00 C ATOM 1084 CG TYR A 74 6.198 4.115 -4.257 1.00 0.00 C ATOM 1085 CD1 TYR A 74 6.385 3.660 -5.557 1.00 0.00 C ATOM 1086 CD2 TYR A 74 6.189 5.487 -4.038 1.00 0.00 C ATOM 1087 CE1 TYR A 74 6.557 4.544 -6.605 1.00 0.00 C ATOM 1088 CE2 TYR A 74 6.359 6.378 -5.080 1.00 0.00 C ATOM 1089 CZ TYR A 74 6.542 5.902 -6.362 1.00 0.00 C ATOM 1090 OH TYR A 74 6.713 6.785 -7.403 1.00 0.00 O ATOM 0 H TYR A 74 3.899 4.450 -1.968 1.00 0.00 H new ATOM 0 HA TYR A 74 4.237 2.142 -3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.370 3.606 -2.193 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.631 2.264 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.396 2.598 -5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 74 6.047 5.863 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.702 4.174 -7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 74 6.349 7.441 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 74 6.675 7.703 -7.063 1.00 0.00 H new ATOM 1100 N CYS A 75 4.176 0.515 -1.942 1.00 0.00 N ATOM 1101 CA CYS A 75 4.048 -0.461 -0.866 1.00 0.00 C ATOM 1102 C CYS A 75 5.361 -0.602 -0.101 1.00 0.00 C ATOM 1103 O CYS A 75 6.442 -0.488 -0.678 1.00 0.00 O ATOM 1104 CB CYS A 75 3.625 -1.819 -1.429 1.00 0.00 C ATOM 1105 SG CYS A 75 4.826 -2.552 -2.585 1.00 0.00 S ATOM 0 H CYS A 75 4.033 0.132 -2.877 1.00 0.00 H new ATOM 0 HA CYS A 75 3.282 -0.106 -0.176 1.00 0.00 H new ATOM 0 HB2 CYS A 75 3.466 -2.510 -0.601 1.00 0.00 H new ATOM 0 HB3 CYS A 75 2.668 -1.707 -1.939 1.00 0.00 H new ATOM 0 HG CYS A 75 4.243 -2.792 -3.722 1.00 0.00 H new ATOM 1110 N GLU A 76 5.257 -0.850 1.201 1.00 0.00 N ATOM 1111 CA GLU A 76 6.436 -1.005 2.045 1.00 0.00 C ATOM 1112 C GLU A 76 7.529 -1.781 1.315 1.00 0.00 C ATOM 1113 O GLU A 76 8.717 -1.492 1.465 1.00 0.00 O ATOM 1114 CB GLU A 76 6.069 -1.722 3.346 1.00 0.00 C ATOM 1115 CG GLU A 76 5.269 -2.996 3.133 1.00 0.00 C ATOM 1116 CD GLU A 76 6.151 -4.215 2.942 1.00 0.00 C ATOM 1117 OE1 GLU A 76 7.357 -4.036 2.669 1.00 0.00 O ATOM 1118 OE2 GLU A 76 5.637 -5.346 3.066 1.00 0.00 O ATOM 0 H GLU A 76 4.369 -0.948 1.694 1.00 0.00 H new ATOM 0 HA GLU A 76 6.815 -0.011 2.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.983 -1.963 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.494 -1.043 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.614 -3.157 3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.628 -2.876 2.260 1.00 0.00 H new ATOM 1125 N LEU A 77 7.119 -2.767 0.525 1.00 0.00 N ATOM 1126 CA LEU A 77 8.062 -3.586 -0.229 1.00 0.00 C ATOM 1127 C LEU A 77 8.868 -2.732 -1.203 1.00 0.00 C ATOM 1128 O LEU A 77 10.099 -2.761 -1.198 1.00 0.00 O ATOM 1129 CB LEU A 77 7.318 -4.684 -0.992 1.00 0.00 C ATOM 1130 CG LEU A 77 6.557 -5.697 -0.136 1.00 0.00 C ATOM 1131 CD1 LEU A 77 5.446 -6.350 -0.944 1.00 0.00 C ATOM 1132 CD2 LEU A 77 7.507 -6.750 0.416 1.00 0.00 C ATOM 0 H LEU A 77 6.140 -3.019 0.390 1.00 0.00 H new ATOM 0 HA LEU A 77 8.751 -4.046 0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.611 -4.210 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.039 -5.225 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 77 6.106 -5.168 0.704 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.915 -7.068 -0.319 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.750 -5.586 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.876 -6.865 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.948 -7.462 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.988 -7.275 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.267 -6.268 1.031 1.00 0.00 H new ATOM 1144 N CYS A 78 8.166 -1.970 -2.035 1.00 0.00 N ATOM 1145 CA CYS A 78 8.815 -1.106 -3.013 1.00 0.00 C ATOM 1146 C CYS A 78 9.723 -0.091 -2.324 1.00 0.00 C ATOM 1147 O CYS A 78 10.894 0.050 -2.676 1.00 0.00 O ATOM 1148 CB CYS A 78 7.767 -0.379 -3.857 1.00 0.00 C ATOM 1149 SG CYS A 78 6.965 -1.428 -5.113 1.00 0.00 S ATOM 0 H CYS A 78 7.147 -1.934 -2.051 1.00 0.00 H new ATOM 0 HA CYS A 78 9.426 -1.731 -3.664 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.002 0.027 -3.196 1.00 0.00 H new ATOM 0 HB3 CYS A 78 8.240 0.468 -4.355 1.00 0.00 H new ATOM 0 HG CYS A 78 6.001 -2.105 -4.562 1.00 0.00 H new ATOM 1154 N TYR A 79 9.173 0.614 -1.342 1.00 0.00 N ATOM 1155 CA TYR A 79 9.932 1.618 -0.605 1.00 0.00 C ATOM 1156 C TYR A 79 11.268 1.053 -0.132 1.00 0.00 C ATOM 1157 O TYR A 79 12.329 1.486 -0.578 1.00 0.00 O ATOM 1158 CB TYR A 79 9.124 2.119 0.594 1.00 0.00 C ATOM 1159 CG TYR A 79 9.805 3.230 1.361 1.00 0.00 C ATOM 1160 CD1 TYR A 79 10.931 2.979 2.135 1.00 0.00 C ATOM 1161 CD2 TYR A 79 9.323 4.533 1.310 1.00 0.00 C ATOM 1162 CE1 TYR A 79 11.555 3.991 2.838 1.00 0.00 C ATOM 1163 CE2 TYR A 79 9.942 5.551 2.008 1.00 0.00 C ATOM 1164 CZ TYR A 79 11.057 5.275 2.771 1.00 0.00 C ATOM 1165 OH TYR A 79 11.678 6.286 3.468 1.00 0.00 O ATOM 0 H TYR A 79 8.205 0.509 -1.038 1.00 0.00 H new ATOM 0 HA TYR A 79 10.129 2.453 -1.277 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.153 2.471 0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.936 1.284 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 79 11.325 1.975 2.188 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.449 4.753 0.714 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.428 3.778 3.437 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.555 6.558 1.957 1.00 0.00 H new ATOM 0 HH TYR A 79 12.296 6.761 2.874 1.00 0.00 H new ATOM 1175 N GLU A 80 11.205 0.082 0.774 1.00 0.00 N ATOM 1176 CA GLU A 80 12.409 -0.543 1.308 1.00 0.00 C ATOM 1177 C GLU A 80 13.310 -1.038 0.181 1.00 0.00 C ATOM 1178 O GLU A 80 14.536 -1.028 0.300 1.00 0.00 O ATOM 1179 CB GLU A 80 12.041 -1.707 2.230 1.00 0.00 C ATOM 1180 CG GLU A 80 13.242 -2.368 2.885 1.00 0.00 C ATOM 1181 CD GLU A 80 12.894 -3.691 3.540 1.00 0.00 C ATOM 1182 OE1 GLU A 80 11.707 -3.898 3.866 1.00 0.00 O ATOM 1183 OE2 GLU A 80 13.811 -4.519 3.726 1.00 0.00 O ATOM 0 H GLU A 80 10.334 -0.288 1.153 1.00 0.00 H new ATOM 0 HA GLU A 80 12.953 0.207 1.882 1.00 0.00 H new ATOM 0 HB2 GLU A 80 11.368 -1.345 3.007 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.493 -2.455 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.016 -2.530 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.659 -1.695 3.634 1.00 0.00 H new ATOM 1190 N LYS A 81 12.694 -1.472 -0.914 1.00 0.00 N ATOM 1191 CA LYS A 81 13.438 -1.972 -2.064 1.00 0.00 C ATOM 1192 C LYS A 81 14.273 -0.862 -2.696 1.00 0.00 C ATOM 1193 O LYS A 81 15.454 -1.050 -2.988 1.00 0.00 O ATOM 1194 CB LYS A 81 12.479 -2.557 -3.103 1.00 0.00 C ATOM 1195 CG LYS A 81 12.183 -4.032 -2.894 1.00 0.00 C ATOM 1196 CD LYS A 81 11.329 -4.594 -4.018 1.00 0.00 C ATOM 1197 CE LYS A 81 11.379 -6.114 -4.049 1.00 0.00 C ATOM 1198 NZ LYS A 81 11.112 -6.650 -5.413 1.00 0.00 N ATOM 0 H LYS A 81 11.681 -1.487 -1.029 1.00 0.00 H new ATOM 0 HA LYS A 81 14.110 -2.756 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.543 -2.000 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 81 12.904 -2.417 -4.097 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.119 -4.587 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.670 -4.170 -1.942 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.297 -4.265 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.675 -4.198 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.359 -6.452 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.645 -6.516 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.155 -7.689 -5.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.167 -6.349 -5.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.827 -6.287 -6.075 1.00 0.00 H new ATOM 1212 N PHE A 82 13.652 0.294 -2.903 1.00 0.00 N ATOM 1213 CA PHE A 82 14.337 1.435 -3.499 1.00 0.00 C ATOM 1214 C PHE A 82 14.954 2.322 -2.423 1.00 0.00 C ATOM 1215 O PHE A 82 16.172 2.500 -2.371 1.00 0.00 O ATOM 1216 CB PHE A 82 13.366 2.251 -4.354 1.00 0.00 C ATOM 1217 CG PHE A 82 12.735 1.460 -5.465 1.00 0.00 C ATOM 1218 CD1 PHE A 82 13.488 1.042 -6.549 1.00 0.00 C ATOM 1219 CD2 PHE A 82 11.389 1.136 -5.424 1.00 0.00 C ATOM 1220 CE1 PHE A 82 12.910 0.315 -7.573 1.00 0.00 C ATOM 1221 CE2 PHE A 82 10.805 0.409 -6.444 1.00 0.00 C ATOM 1222 CZ PHE A 82 11.567 -0.003 -7.520 1.00 0.00 C ATOM 0 H PHE A 82 12.675 0.466 -2.667 1.00 0.00 H new ATOM 0 HA PHE A 82 15.137 1.055 -4.134 1.00 0.00 H new ATOM 0 HB2 PHE A 82 12.581 2.654 -3.714 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.897 3.102 -4.781 1.00 0.00 H new ATOM 0 HD1 PHE A 82 14.539 1.287 -6.595 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.789 1.455 -4.585 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.508 -0.004 -8.414 1.00 0.00 H new ATOM 0 HE2 PHE A 82 9.754 0.163 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 82 11.114 -0.572 -8.318 1.00 0.00 H new ATOM 1232 N PHE A 83 14.105 2.879 -1.565 1.00 0.00 N ATOM 1233 CA PHE A 83 14.566 3.750 -0.490 1.00 0.00 C ATOM 1234 C PHE A 83 15.585 3.033 0.392 1.00 0.00 C ATOM 1235 O PHE A 83 16.746 3.433 0.468 1.00 0.00 O ATOM 1236 CB PHE A 83 13.381 4.219 0.358 1.00 0.00 C ATOM 1237 CG PHE A 83 12.772 5.505 -0.123 1.00 0.00 C ATOM 1238 CD1 PHE A 83 11.885 5.511 -1.188 1.00 0.00 C ATOM 1239 CD2 PHE A 83 13.087 6.707 0.488 1.00 0.00 C ATOM 1240 CE1 PHE A 83 11.322 6.692 -1.633 1.00 0.00 C ATOM 1241 CE2 PHE A 83 12.527 7.892 0.048 1.00 0.00 C ATOM 1242 CZ PHE A 83 11.645 7.884 -1.015 1.00 0.00 C ATOM 0 H PHE A 83 13.095 2.743 -1.593 1.00 0.00 H new ATOM 0 HA PHE A 83 15.048 4.618 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.616 3.442 0.360 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.710 4.345 1.389 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.631 4.582 -1.676 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.778 6.719 1.318 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.631 6.683 -2.463 1.00 0.00 H new ATOM 0 HE2 PHE A 83 12.779 8.823 0.535 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.209 8.809 -1.362 1.00 0.00 H new ATOM 1252 N ALA A 84 15.140 1.973 1.058 1.00 0.00 N ATOM 1253 CA ALA A 84 16.011 1.200 1.934 1.00 0.00 C ATOM 1254 C ALA A 84 16.933 0.291 1.127 1.00 0.00 C ATOM 1255 O ALA A 84 16.792 -0.932 1.152 1.00 0.00 O ATOM 1256 CB ALA A 84 15.184 0.380 2.913 1.00 0.00 C ATOM 0 H ALA A 84 14.181 1.630 1.007 1.00 0.00 H new ATOM 0 HA ALA A 84 16.631 1.898 2.496 1.00 0.00 H new ATOM 0 HB1 ALA A 84 15.848 -0.192 3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.572 1.047 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.539 -0.303 2.361 1.00 0.00 H new