USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 576 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 Single : A 8 MET CE :methyl 145:sc= -6.46! (180deg=-11.3!) USER MOD Single : A 9 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.79) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 161:sc= -1.32 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.822 K(o=-0.82,f=-2.6!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0.093) USER MOD Single : A 38 SER OG : rot 67:sc= 0.554 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.06 K(o=-1.1,f=0.74) USER MOD Single : A 47 GLN : amide:sc= -3.63! C(o=-3.6!,f=-3.3!) USER MOD Single : A 48 GLN : amide:sc= -0.608 K(o=-0.61,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -163:sc= 0.0378 USER MOD Single : A 66 TYR OH : rot 165:sc=-0.00745 USER MOD Single : A 67 SER OG : rot -54:sc= 0.0379 USER MOD Single : A 71 ASN : amide:sc= -0.0358 K(o=-0.036,f=-1.6) USER MOD Single : A 72 SER OG : rot 111:sc= -0.172 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 6.671 -14.114 4.228 1.00 0.00 N ATOM 60 CA GLY A 7 6.065 -12.813 4.012 1.00 0.00 C ATOM 61 C GLY A 7 7.094 -11.705 3.906 1.00 0.00 C ATOM 62 O GLY A 7 8.296 -11.966 3.871 1.00 0.00 O ATOM 0 HA2 GLY A 7 5.469 -12.840 3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.382 -12.593 4.832 1.00 0.00 H new ATOM 66 N MET A 8 6.621 -10.464 3.852 1.00 0.00 N ATOM 67 CA MET A 8 7.509 -9.312 3.748 1.00 0.00 C ATOM 68 C MET A 8 6.966 -8.133 4.549 1.00 0.00 C ATOM 69 O MET A 8 5.809 -8.137 4.968 1.00 0.00 O ATOM 70 CB MET A 8 7.689 -8.909 2.283 1.00 0.00 C ATOM 71 CG MET A 8 6.377 -8.648 1.560 1.00 0.00 C ATOM 72 SD MET A 8 6.619 -7.990 -0.101 1.00 0.00 S ATOM 73 CE MET A 8 5.158 -6.969 -0.277 1.00 0.00 C ATOM 0 H MET A 8 5.628 -10.231 3.879 1.00 0.00 H new ATOM 0 HA MET A 8 8.478 -9.594 4.161 1.00 0.00 H new ATOM 0 HB2 MET A 8 8.306 -8.012 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 8 8.231 -9.698 1.762 1.00 0.00 H new ATOM 0 HG2 MET A 8 5.809 -9.576 1.500 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.780 -7.946 2.141 1.00 0.00 H new ATOM 0 HE1 MET A 8 5.402 -6.082 -0.862 1.00 0.00 H new ATOM 0 HE2 MET A 8 4.377 -7.535 -0.785 1.00 0.00 H new ATOM 0 HE3 MET A 8 4.804 -6.667 0.709 1.00 0.00 H new ATOM 83 N GLN A 9 7.809 -7.127 4.758 1.00 0.00 N ATOM 84 CA GLN A 9 7.413 -5.942 5.510 1.00 0.00 C ATOM 85 C GLN A 9 7.224 -4.746 4.582 1.00 0.00 C ATOM 86 O GLN A 9 8.125 -4.387 3.823 1.00 0.00 O ATOM 87 CB GLN A 9 8.459 -5.615 6.576 1.00 0.00 C ATOM 88 CG GLN A 9 8.174 -4.328 7.334 1.00 0.00 C ATOM 89 CD GLN A 9 7.156 -4.516 8.441 1.00 0.00 C ATOM 90 OE1 GLN A 9 5.957 -4.325 8.237 1.00 0.00 O ATOM 91 NE2 GLN A 9 7.629 -4.893 9.623 1.00 0.00 N ATOM 0 H GLN A 9 8.770 -7.109 4.417 1.00 0.00 H new ATOM 0 HA GLN A 9 6.462 -6.154 5.998 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.513 -6.441 7.286 1.00 0.00 H new ATOM 0 HB3 GLN A 9 9.437 -5.538 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 9 9.103 -3.949 7.760 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.811 -3.573 6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.631 -5.040 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.991 -5.035 10.406 1.00 0.00 H new ATOM 100 N LEU A 10 6.047 -4.133 4.647 1.00 0.00 N ATOM 101 CA LEU A 10 5.739 -2.977 3.813 1.00 0.00 C ATOM 102 C LEU A 10 5.510 -1.734 4.667 1.00 0.00 C ATOM 103 O LEU A 10 4.714 -1.751 5.606 1.00 0.00 O ATOM 104 CB LEU A 10 4.503 -3.256 2.956 1.00 0.00 C ATOM 105 CG LEU A 10 4.653 -4.350 1.898 1.00 0.00 C ATOM 106 CD1 LEU A 10 3.486 -4.314 0.924 1.00 0.00 C ATOM 107 CD2 LEU A 10 5.974 -4.199 1.157 1.00 0.00 C ATOM 0 H LEU A 10 5.290 -4.418 5.269 1.00 0.00 H new ATOM 0 HA LEU A 10 6.592 -2.794 3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.681 -3.529 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.216 -2.331 2.455 1.00 0.00 H new ATOM 0 HG LEU A 10 4.650 -5.317 2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.610 -5.099 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.554 -4.473 1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.456 -3.344 0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.063 -4.986 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.007 -3.226 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.799 -4.277 1.865 1.00 0.00 H new ATOM 119 N THR A 11 6.212 -0.655 4.333 1.00 0.00 N ATOM 120 CA THR A 11 6.084 0.596 5.069 1.00 0.00 C ATOM 121 C THR A 11 5.480 1.689 4.194 1.00 0.00 C ATOM 122 O THR A 11 6.164 2.276 3.355 1.00 0.00 O ATOM 123 CB THR A 11 7.447 1.077 5.601 1.00 0.00 C ATOM 124 OG1 THR A 11 8.191 -0.034 6.115 1.00 0.00 O ATOM 125 CG2 THR A 11 7.265 2.120 6.693 1.00 0.00 C ATOM 0 H THR A 11 6.874 -0.623 3.558 1.00 0.00 H new ATOM 0 HA THR A 11 5.421 0.400 5.912 1.00 0.00 H new ATOM 0 HB THR A 11 7.995 1.531 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.057 0.279 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.241 2.444 7.053 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.723 2.977 6.291 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.699 1.688 7.518 1.00 0.00 H new ATOM 133 N VAL A 12 4.194 1.958 4.395 1.00 0.00 N ATOM 134 CA VAL A 12 3.497 2.981 3.625 1.00 0.00 C ATOM 135 C VAL A 12 3.751 4.370 4.201 1.00 0.00 C ATOM 136 O VAL A 12 3.525 4.614 5.386 1.00 0.00 O ATOM 137 CB VAL A 12 1.979 2.722 3.590 1.00 0.00 C ATOM 138 CG1 VAL A 12 1.267 3.822 2.818 1.00 0.00 C ATOM 139 CG2 VAL A 12 1.687 1.358 2.983 1.00 0.00 C ATOM 0 H VAL A 12 3.614 1.481 5.085 1.00 0.00 H new ATOM 0 HA VAL A 12 3.889 2.934 2.609 1.00 0.00 H new ATOM 0 HB VAL A 12 1.602 2.728 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.196 3.622 2.804 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.450 4.782 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.644 3.852 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.610 1.190 2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.076 1.322 1.966 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.165 0.583 3.582 1.00 0.00 H new ATOM 149 N LYS A 13 4.222 5.279 3.354 1.00 0.00 N ATOM 150 CA LYS A 13 4.506 6.645 3.777 1.00 0.00 C ATOM 151 C LYS A 13 3.815 7.652 2.863 1.00 0.00 C ATOM 152 O LYS A 13 3.946 7.587 1.641 1.00 0.00 O ATOM 153 CB LYS A 13 6.016 6.896 3.781 1.00 0.00 C ATOM 154 CG LYS A 13 6.447 7.993 4.739 1.00 0.00 C ATOM 155 CD LYS A 13 7.694 8.707 4.245 1.00 0.00 C ATOM 156 CE LYS A 13 8.490 9.300 5.397 1.00 0.00 C ATOM 157 NZ LYS A 13 9.272 10.495 4.974 1.00 0.00 N ATOM 0 H LYS A 13 4.415 5.094 2.370 1.00 0.00 H new ATOM 0 HA LYS A 13 4.120 6.774 4.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.529 5.971 4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.335 7.160 2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.637 8.713 4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.638 7.564 5.723 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.320 8.007 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.411 9.499 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.811 9.577 6.203 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.168 8.545 5.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.801 10.870 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.938 10.226 4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.624 11.225 4.616 1.00 0.00 H new ATOM 171 N ALA A 14 3.081 8.582 3.464 1.00 0.00 N ATOM 172 CA ALA A 14 2.372 9.605 2.704 1.00 0.00 C ATOM 173 C ALA A 14 3.236 10.848 2.518 1.00 0.00 C ATOM 174 O ALA A 14 3.953 11.261 3.430 1.00 0.00 O ATOM 175 CB ALA A 14 1.066 9.966 3.395 1.00 0.00 C ATOM 0 H ALA A 14 2.961 8.649 4.475 1.00 0.00 H new ATOM 0 HA ALA A 14 2.148 9.199 1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.548 10.731 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.437 9.079 3.470 1.00 0.00 H new ATOM 0 HB3 ALA A 14 1.276 10.347 4.394 1.00 0.00 H new ATOM 224 N ARG A 18 1.630 11.025 7.151 1.00 0.00 N ATOM 225 CA ARG A 18 1.771 9.943 8.118 1.00 0.00 C ATOM 226 C ARG A 18 2.305 8.681 7.447 1.00 0.00 C ATOM 227 O ARG A 18 2.473 8.638 6.229 1.00 0.00 O ATOM 228 CB ARG A 18 0.427 9.649 8.786 1.00 0.00 C ATOM 229 CG ARG A 18 -0.023 10.732 9.753 1.00 0.00 C ATOM 230 CD ARG A 18 -1.226 10.286 10.569 1.00 0.00 C ATOM 231 NE ARG A 18 -1.873 11.406 11.247 1.00 0.00 N ATOM 232 CZ ARG A 18 -3.034 11.307 11.884 1.00 0.00 C ATOM 233 NH1 ARG A 18 -3.673 10.146 11.930 1.00 0.00 N ATOM 234 NH2 ARG A 18 -3.559 12.371 12.478 1.00 0.00 N ATOM 0 HA ARG A 18 2.485 10.259 8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.333 9.524 8.015 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.496 8.702 9.321 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.798 10.987 10.423 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.274 11.636 9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.946 9.794 9.915 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.910 9.549 11.307 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.408 12.314 11.230 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.273 9.325 11.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.565 10.074 12.420 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.071 13.266 12.446 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.451 12.294 12.967 1.00 0.00 H new ATOM 248 N GLU A 19 2.570 7.656 8.251 1.00 0.00 N ATOM 249 CA GLU A 19 3.086 6.394 7.735 1.00 0.00 C ATOM 250 C GLU A 19 2.812 5.253 8.711 1.00 0.00 C ATOM 251 O GLU A 19 2.404 5.482 9.850 1.00 0.00 O ATOM 252 CB GLU A 19 4.589 6.502 7.470 1.00 0.00 C ATOM 253 CG GLU A 19 5.389 6.959 8.678 1.00 0.00 C ATOM 254 CD GLU A 19 6.849 7.208 8.351 1.00 0.00 C ATOM 255 OE1 GLU A 19 7.473 6.328 7.721 1.00 0.00 O ATOM 256 OE2 GLU A 19 7.367 8.280 8.726 1.00 0.00 O ATOM 0 H GLU A 19 2.436 7.675 9.262 1.00 0.00 H new ATOM 0 HA GLU A 19 2.573 6.178 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.962 5.531 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.755 7.200 6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.949 7.873 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.320 6.205 9.462 1.00 0.00 H new ATOM 263 N CYS A 20 3.038 4.026 8.256 1.00 0.00 N ATOM 264 CA CYS A 20 2.814 2.849 9.088 1.00 0.00 C ATOM 265 C CYS A 20 3.286 1.584 8.378 1.00 0.00 C ATOM 266 O CYS A 20 3.232 1.491 7.152 1.00 0.00 O ATOM 267 CB CYS A 20 1.332 2.725 9.444 1.00 0.00 C ATOM 268 SG CYS A 20 0.998 1.629 10.842 1.00 0.00 S ATOM 0 H CYS A 20 3.376 3.820 7.316 1.00 0.00 H new ATOM 0 HA CYS A 20 3.392 2.967 10.005 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.940 3.716 9.672 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.789 2.360 8.572 1.00 0.00 H new ATOM 0 HG CYS A 20 -0.181 1.888 11.324 1.00 0.00 H new ATOM 274 N SER A 21 3.752 0.613 9.158 1.00 0.00 N ATOM 275 CA SER A 21 4.239 -0.644 8.604 1.00 0.00 C ATOM 276 C SER A 21 3.180 -1.736 8.719 1.00 0.00 C ATOM 277 O SER A 21 2.296 -1.672 9.575 1.00 0.00 O ATOM 278 CB SER A 21 5.517 -1.081 9.323 1.00 0.00 C ATOM 279 OG SER A 21 5.260 -1.378 10.685 1.00 0.00 O ATOM 0 H SER A 21 3.802 0.673 10.175 1.00 0.00 H new ATOM 0 HA SER A 21 4.459 -0.485 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.934 -1.958 8.829 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.265 -0.291 9.255 1.00 0.00 H new ATOM 0 HG SER A 21 6.092 -1.656 11.122 1.00 0.00 H new ATOM 285 N LEU A 22 3.274 -2.737 7.851 1.00 0.00 N ATOM 286 CA LEU A 22 2.324 -3.844 7.853 1.00 0.00 C ATOM 287 C LEU A 22 2.973 -5.120 7.327 1.00 0.00 C ATOM 288 O LEU A 22 3.904 -5.067 6.523 1.00 0.00 O ATOM 289 CB LEU A 22 1.100 -3.493 7.005 1.00 0.00 C ATOM 290 CG LEU A 22 -0.004 -2.708 7.713 1.00 0.00 C ATOM 291 CD1 LEU A 22 -0.773 -1.853 6.718 1.00 0.00 C ATOM 292 CD2 LEU A 22 -0.945 -3.653 8.446 1.00 0.00 C ATOM 0 H LEU A 22 3.999 -2.805 7.136 1.00 0.00 H new ATOM 0 HA LEU A 22 2.008 -4.017 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.434 -2.915 6.143 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.671 -4.419 6.621 1.00 0.00 H new ATOM 0 HG LEU A 22 0.459 -2.048 8.446 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.555 -1.301 7.240 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.091 -1.150 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.225 -2.494 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.724 -3.076 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.401 -4.339 7.732 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.384 -4.222 9.188 1.00 0.00 H new ATOM 304 N GLN A 23 2.474 -6.264 7.783 1.00 0.00 N ATOM 305 CA GLN A 23 3.005 -7.553 7.356 1.00 0.00 C ATOM 306 C GLN A 23 2.146 -8.156 6.250 1.00 0.00 C ATOM 307 O GLN A 23 0.977 -8.477 6.463 1.00 0.00 O ATOM 308 CB GLN A 23 3.080 -8.515 8.543 1.00 0.00 C ATOM 309 CG GLN A 23 1.995 -8.285 9.583 1.00 0.00 C ATOM 310 CD GLN A 23 2.375 -7.223 10.596 1.00 0.00 C ATOM 311 OE1 GLN A 23 3.508 -6.741 10.612 1.00 0.00 O ATOM 312 NE2 GLN A 23 1.427 -6.853 11.450 1.00 0.00 N ATOM 0 H GLN A 23 1.703 -6.325 8.448 1.00 0.00 H new ATOM 0 HA GLN A 23 4.009 -7.393 6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.008 -9.539 8.175 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.055 -8.415 9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.073 -7.991 9.082 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.790 -9.221 10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.502 -7.279 11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.625 -6.143 12.155 1.00 0.00 H new ATOM 321 N VAL A 24 2.733 -8.307 5.067 1.00 0.00 N ATOM 322 CA VAL A 24 2.021 -8.873 3.927 1.00 0.00 C ATOM 323 C VAL A 24 2.955 -9.704 3.054 1.00 0.00 C ATOM 324 O VAL A 24 4.163 -9.474 3.000 1.00 0.00 O ATOM 325 CB VAL A 24 1.376 -7.772 3.066 1.00 0.00 C ATOM 326 CG1 VAL A 24 0.250 -7.089 3.828 1.00 0.00 C ATOM 327 CG2 VAL A 24 2.422 -6.760 2.624 1.00 0.00 C ATOM 0 H VAL A 24 3.700 -8.045 4.873 1.00 0.00 H new ATOM 0 HA VAL A 24 1.237 -9.515 4.330 1.00 0.00 H new ATOM 0 HB VAL A 24 0.951 -8.234 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.194 -6.314 3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.511 -7.824 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.647 -6.639 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.948 -5.989 2.016 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.878 -6.301 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.190 -7.263 2.037 1.00 0.00 H new ATOM 337 N PRO A 25 2.384 -10.695 2.353 1.00 0.00 N ATOM 338 CA PRO A 25 3.146 -11.580 1.468 1.00 0.00 C ATOM 339 C PRO A 25 3.653 -10.860 0.224 1.00 0.00 C ATOM 340 O PRO A 25 3.566 -9.636 0.126 1.00 0.00 O ATOM 341 CB PRO A 25 2.130 -12.659 1.085 1.00 0.00 C ATOM 342 CG PRO A 25 0.803 -12.000 1.233 1.00 0.00 C ATOM 343 CD PRO A 25 0.949 -11.026 2.370 1.00 0.00 C ATOM 0 HA PRO A 25 4.040 -11.970 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.288 -13.006 0.064 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.214 -13.530 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.517 -11.488 0.314 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.025 -12.733 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 25 0.331 -10.141 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 25 0.650 -11.469 3.320 1.00 0.00 H new ATOM 351 N GLU A 26 4.182 -11.627 -0.725 1.00 0.00 N ATOM 352 CA GLU A 26 4.703 -11.059 -1.963 1.00 0.00 C ATOM 353 C GLU A 26 3.640 -11.074 -3.058 1.00 0.00 C ATOM 354 O GLU A 26 3.721 -10.319 -4.027 1.00 0.00 O ATOM 355 CB GLU A 26 5.938 -11.835 -2.426 1.00 0.00 C ATOM 356 CG GLU A 26 5.634 -13.259 -2.861 1.00 0.00 C ATOM 357 CD GLU A 26 6.888 -14.086 -3.069 1.00 0.00 C ATOM 358 OE1 GLU A 26 7.436 -14.061 -4.190 1.00 0.00 O ATOM 359 OE2 GLU A 26 7.321 -14.757 -2.109 1.00 0.00 O ATOM 0 H GLU A 26 4.261 -12.642 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 26 4.985 -10.024 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.402 -11.302 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.667 -11.859 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.008 -13.739 -2.109 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.060 -13.237 -3.787 1.00 0.00 H new ATOM 366 N ASP A 27 2.644 -11.938 -2.895 1.00 0.00 N ATOM 367 CA ASP A 27 1.564 -12.052 -3.868 1.00 0.00 C ATOM 368 C ASP A 27 0.276 -11.441 -3.324 1.00 0.00 C ATOM 369 O ASP A 27 -0.822 -11.841 -3.710 1.00 0.00 O ATOM 370 CB ASP A 27 1.332 -13.518 -4.236 1.00 0.00 C ATOM 371 CG ASP A 27 2.236 -13.982 -5.362 1.00 0.00 C ATOM 372 OD1 ASP A 27 3.405 -14.321 -5.083 1.00 0.00 O ATOM 373 OD2 ASP A 27 1.773 -14.007 -6.521 1.00 0.00 O ATOM 0 H ASP A 27 2.562 -12.570 -2.098 1.00 0.00 H new ATOM 0 HA ASP A 27 1.856 -11.503 -4.763 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.501 -14.141 -3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.291 -13.656 -4.529 1.00 0.00 H new ATOM 378 N GLU A 28 0.419 -10.472 -2.426 1.00 0.00 N ATOM 379 CA GLU A 28 -0.733 -9.809 -1.828 1.00 0.00 C ATOM 380 C GLU A 28 -1.442 -8.924 -2.849 1.00 0.00 C ATOM 381 O GLU A 28 -0.807 -8.138 -3.553 1.00 0.00 O ATOM 382 CB GLU A 28 -0.299 -8.970 -0.624 1.00 0.00 C ATOM 383 CG GLU A 28 -1.435 -8.643 0.331 1.00 0.00 C ATOM 384 CD GLU A 28 -1.846 -9.832 1.177 1.00 0.00 C ATOM 385 OE1 GLU A 28 -1.555 -10.977 0.773 1.00 0.00 O ATOM 386 OE2 GLU A 28 -2.460 -9.617 2.243 1.00 0.00 O ATOM 0 H GLU A 28 1.321 -10.129 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.429 -10.578 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.479 -9.506 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.144 -8.040 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.132 -7.825 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.295 -8.293 -0.240 1.00 0.00 H new ATOM 393 N LEU A 29 -2.762 -9.059 -2.925 1.00 0.00 N ATOM 394 CA LEU A 29 -3.559 -8.273 -3.860 1.00 0.00 C ATOM 395 C LEU A 29 -3.636 -6.815 -3.418 1.00 0.00 C ATOM 396 O LEU A 29 -3.984 -6.520 -2.275 1.00 0.00 O ATOM 397 CB LEU A 29 -4.967 -8.858 -3.978 1.00 0.00 C ATOM 398 CG LEU A 29 -5.050 -10.364 -4.229 1.00 0.00 C ATOM 399 CD1 LEU A 29 -6.500 -10.817 -4.286 1.00 0.00 C ATOM 400 CD2 LEU A 29 -4.323 -10.731 -5.514 1.00 0.00 C ATOM 0 H LEU A 29 -3.302 -9.705 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.074 -8.312 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.510 -8.633 -3.060 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.485 -8.346 -4.789 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.563 -10.878 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.539 -11.891 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.990 -10.589 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.013 -10.296 -5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.392 -11.807 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.780 -10.207 -6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.275 -10.443 -5.434 1.00 0.00 H new ATOM 412 N VAL A 30 -3.312 -5.906 -4.333 1.00 0.00 N ATOM 413 CA VAL A 30 -3.348 -4.479 -4.039 1.00 0.00 C ATOM 414 C VAL A 30 -4.653 -4.093 -3.351 1.00 0.00 C ATOM 415 O VAL A 30 -4.693 -3.151 -2.558 1.00 0.00 O ATOM 416 CB VAL A 30 -3.188 -3.638 -5.319 1.00 0.00 C ATOM 417 CG1 VAL A 30 -3.107 -2.157 -4.979 1.00 0.00 C ATOM 418 CG2 VAL A 30 -1.958 -4.082 -6.097 1.00 0.00 C ATOM 0 H VAL A 30 -3.022 -6.133 -5.284 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.512 -4.272 -3.370 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.065 -3.795 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.994 -1.579 -5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.019 -1.851 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.250 -1.979 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.860 -3.477 -6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.070 -3.956 -5.477 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.061 -5.131 -6.373 1.00 0.00 H new ATOM 428 N SER A 31 -5.718 -4.826 -3.658 1.00 0.00 N ATOM 429 CA SER A 31 -7.026 -4.559 -3.071 1.00 0.00 C ATOM 430 C SER A 31 -6.990 -4.744 -1.557 1.00 0.00 C ATOM 431 O SER A 31 -7.567 -3.954 -0.809 1.00 0.00 O ATOM 432 CB SER A 31 -8.081 -5.480 -3.685 1.00 0.00 C ATOM 433 OG SER A 31 -7.665 -6.834 -3.639 1.00 0.00 O ATOM 0 H SER A 31 -5.701 -5.610 -4.310 1.00 0.00 H new ATOM 0 HA SER A 31 -7.289 -3.523 -3.286 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.023 -5.367 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.266 -5.188 -4.719 1.00 0.00 H new ATOM 0 HG SER A 31 -8.357 -7.403 -4.036 1.00 0.00 H new ATOM 439 N THR A 32 -6.308 -5.795 -1.112 1.00 0.00 N ATOM 440 CA THR A 32 -6.198 -6.086 0.312 1.00 0.00 C ATOM 441 C THR A 32 -5.066 -5.289 0.950 1.00 0.00 C ATOM 442 O THR A 32 -5.140 -4.916 2.122 1.00 0.00 O ATOM 443 CB THR A 32 -5.956 -7.587 0.561 1.00 0.00 C ATOM 444 OG1 THR A 32 -7.085 -8.346 0.112 1.00 0.00 O ATOM 445 CG2 THR A 32 -5.712 -7.858 2.037 1.00 0.00 C ATOM 0 H THR A 32 -5.824 -6.458 -1.717 1.00 0.00 H new ATOM 0 HA THR A 32 -7.145 -5.797 0.768 1.00 0.00 H new ATOM 0 HB THR A 32 -5.070 -7.888 0.001 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.923 -9.299 0.272 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.544 -8.924 2.188 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.835 -7.302 2.369 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.582 -7.543 2.613 1.00 0.00 H new ATOM 453 N LEU A 33 -4.021 -5.029 0.173 1.00 0.00 N ATOM 454 CA LEU A 33 -2.873 -4.273 0.663 1.00 0.00 C ATOM 455 C LEU A 33 -3.286 -2.867 1.084 1.00 0.00 C ATOM 456 O LEU A 33 -2.638 -2.243 1.925 1.00 0.00 O ATOM 457 CB LEU A 33 -1.790 -4.197 -0.415 1.00 0.00 C ATOM 458 CG LEU A 33 -0.940 -5.455 -0.602 1.00 0.00 C ATOM 459 CD1 LEU A 33 -0.470 -5.572 -2.044 1.00 0.00 C ATOM 460 CD2 LEU A 33 0.248 -5.442 0.348 1.00 0.00 C ATOM 0 H LEU A 33 -3.944 -5.330 -0.799 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.474 -4.791 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.268 -3.961 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.126 -3.366 -0.177 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.556 -6.324 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.133 -6.473 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.335 -5.628 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.129 -4.699 -2.303 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.841 -6.344 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.864 -4.566 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.109 -5.407 1.377 1.00 0.00 H new ATOM 472 N LYS A 34 -4.370 -2.373 0.496 1.00 0.00 N ATOM 473 CA LYS A 34 -4.874 -1.042 0.813 1.00 0.00 C ATOM 474 C LYS A 34 -5.858 -1.095 1.977 1.00 0.00 C ATOM 475 O LYS A 34 -5.732 -0.341 2.942 1.00 0.00 O ATOM 476 CB LYS A 34 -5.550 -0.425 -0.414 1.00 0.00 C ATOM 477 CG LYS A 34 -4.610 -0.221 -1.589 1.00 0.00 C ATOM 478 CD LYS A 34 -5.367 -0.155 -2.904 1.00 0.00 C ATOM 479 CE LYS A 34 -4.582 0.605 -3.962 1.00 0.00 C ATOM 480 NZ LYS A 34 -4.892 2.061 -3.943 1.00 0.00 N ATOM 0 H LYS A 34 -4.917 -2.875 -0.203 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.028 -0.420 1.105 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.374 -1.067 -0.726 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.983 0.536 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.044 0.700 -1.448 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.888 -1.037 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.572 -1.165 -3.258 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.331 0.330 -2.746 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.515 0.459 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.811 0.198 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.337 2.544 -4.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.906 2.202 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.650 2.455 -3.012 1.00 0.00 H new ATOM 494 N GLN A 35 -6.836 -1.990 1.879 1.00 0.00 N ATOM 495 CA GLN A 35 -7.840 -2.140 2.925 1.00 0.00 C ATOM 496 C GLN A 35 -7.183 -2.336 4.287 1.00 0.00 C ATOM 497 O GLN A 35 -7.709 -1.899 5.311 1.00 0.00 O ATOM 498 CB GLN A 35 -8.758 -3.323 2.613 1.00 0.00 C ATOM 499 CG GLN A 35 -9.680 -3.083 1.428 1.00 0.00 C ATOM 500 CD GLN A 35 -10.460 -4.322 1.034 1.00 0.00 C ATOM 501 OE1 GLN A 35 -9.920 -5.239 0.414 1.00 0.00 O ATOM 502 NE2 GLN A 35 -11.737 -4.356 1.394 1.00 0.00 N ATOM 0 H GLN A 35 -6.954 -2.621 1.087 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.434 -1.227 2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -8.147 -4.204 2.415 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.362 -3.546 3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -10.378 -2.282 1.672 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -9.090 -2.744 0.577 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.143 -3.574 1.907 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.312 -5.165 1.158 1.00 0.00 H new ATOM 511 N LEU A 36 -6.030 -2.997 4.292 1.00 0.00 N ATOM 512 CA LEU A 36 -5.300 -3.252 5.529 1.00 0.00 C ATOM 513 C LEU A 36 -4.897 -1.944 6.203 1.00 0.00 C ATOM 514 O LEU A 36 -5.164 -1.735 7.386 1.00 0.00 O ATOM 515 CB LEU A 36 -4.057 -4.097 5.246 1.00 0.00 C ATOM 516 CG LEU A 36 -4.300 -5.586 4.999 1.00 0.00 C ATOM 517 CD1 LEU A 36 -3.012 -6.274 4.576 1.00 0.00 C ATOM 518 CD2 LEU A 36 -4.876 -6.246 6.243 1.00 0.00 C ATOM 0 H LEU A 36 -5.581 -3.366 3.454 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.958 -3.799 6.204 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.551 -3.682 4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.374 -3.996 6.089 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.024 -5.687 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.205 -7.333 4.405 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.641 -5.819 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.265 -6.164 5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.043 -7.306 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.176 -6.135 7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.823 -5.771 6.502 1.00 0.00 H new ATOM 530 N VAL A 37 -4.255 -1.065 5.440 1.00 0.00 N ATOM 531 CA VAL A 37 -3.818 0.225 5.962 1.00 0.00 C ATOM 532 C VAL A 37 -5.010 1.098 6.338 1.00 0.00 C ATOM 533 O VAL A 37 -4.960 1.849 7.312 1.00 0.00 O ATOM 534 CB VAL A 37 -2.946 0.978 4.940 1.00 0.00 C ATOM 535 CG1 VAL A 37 -2.388 2.254 5.551 1.00 0.00 C ATOM 536 CG2 VAL A 37 -1.823 0.083 4.437 1.00 0.00 C ATOM 0 H VAL A 37 -4.026 -1.222 4.459 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.225 0.021 6.854 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.570 1.254 4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.775 2.772 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.210 2.900 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.779 2.005 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.217 0.631 3.716 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.199 -0.225 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.248 -0.799 3.958 1.00 0.00 H new ATOM 546 N SER A 38 -6.081 0.994 5.559 1.00 0.00 N ATOM 547 CA SER A 38 -7.286 1.777 5.808 1.00 0.00 C ATOM 548 C SER A 38 -7.716 1.663 7.267 1.00 0.00 C ATOM 549 O SER A 38 -8.275 2.601 7.835 1.00 0.00 O ATOM 550 CB SER A 38 -8.420 1.311 4.892 1.00 0.00 C ATOM 551 OG SER A 38 -9.686 1.579 5.472 1.00 0.00 O ATOM 0 H SER A 38 -6.139 0.375 4.750 1.00 0.00 H new ATOM 0 HA SER A 38 -7.062 2.822 5.594 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.344 1.815 3.928 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.322 0.242 4.702 1.00 0.00 H new ATOM 0 HG SER A 38 -9.828 2.548 5.514 1.00 0.00 H new ATOM 557 N GLU A 39 -7.451 0.507 7.868 1.00 0.00 N ATOM 558 CA GLU A 39 -7.811 0.270 9.261 1.00 0.00 C ATOM 559 C GLU A 39 -6.752 0.840 10.201 1.00 0.00 C ATOM 560 O GLU A 39 -7.057 1.251 11.321 1.00 0.00 O ATOM 561 CB GLU A 39 -7.984 -1.228 9.518 1.00 0.00 C ATOM 562 CG GLU A 39 -9.387 -1.737 9.232 1.00 0.00 C ATOM 563 CD GLU A 39 -10.410 -1.215 10.223 1.00 0.00 C ATOM 564 OE1 GLU A 39 -10.915 -0.092 10.020 1.00 0.00 O ATOM 565 OE2 GLU A 39 -10.705 -1.932 11.202 1.00 0.00 O ATOM 0 H GLU A 39 -6.989 -0.280 7.412 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.756 0.776 9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.274 -1.778 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.734 -1.441 10.557 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.679 -1.441 8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.386 -2.827 9.256 1.00 0.00 H new ATOM 572 N LYS A 40 -5.507 0.861 9.737 1.00 0.00 N ATOM 573 CA LYS A 40 -4.402 1.380 10.534 1.00 0.00 C ATOM 574 C LYS A 40 -4.556 2.880 10.766 1.00 0.00 C ATOM 575 O LYS A 40 -4.638 3.337 11.907 1.00 0.00 O ATOM 576 CB LYS A 40 -3.068 1.095 9.840 1.00 0.00 C ATOM 577 CG LYS A 40 -2.831 -0.379 9.561 1.00 0.00 C ATOM 578 CD LYS A 40 -2.521 -1.145 10.836 1.00 0.00 C ATOM 579 CE LYS A 40 -1.037 -1.104 11.165 1.00 0.00 C ATOM 580 NZ LYS A 40 -0.657 -2.154 12.150 1.00 0.00 N ATOM 0 H LYS A 40 -5.238 0.524 8.812 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.417 0.877 11.501 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.033 1.645 8.899 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.256 1.474 10.461 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.713 -0.806 9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.004 -0.489 8.859 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.090 -0.721 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.842 -2.181 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.459 -1.238 10.251 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.781 -0.122 11.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.362 -2.092 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.190 -2.012 13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.878 -3.092 11.760 1.00 0.00 H new ATOM 594 N LEU A 41 -4.596 3.641 9.678 1.00 0.00 N ATOM 595 CA LEU A 41 -4.742 5.090 9.762 1.00 0.00 C ATOM 596 C LEU A 41 -6.214 5.487 9.805 1.00 0.00 C ATOM 597 O LEU A 41 -6.546 6.670 9.877 1.00 0.00 O ATOM 598 CB LEU A 41 -4.055 5.762 8.573 1.00 0.00 C ATOM 599 CG LEU A 41 -2.583 5.406 8.359 1.00 0.00 C ATOM 600 CD1 LEU A 41 -2.132 5.815 6.965 1.00 0.00 C ATOM 601 CD2 LEU A 41 -1.715 6.070 9.418 1.00 0.00 C ATOM 0 H LEU A 41 -4.529 3.279 8.727 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.267 5.425 10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.606 5.505 7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.133 6.842 8.697 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.473 4.326 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.082 5.554 6.831 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.734 5.294 6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.257 6.891 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.671 5.806 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.830 7.152 9.357 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.022 5.728 10.407 1.00 0.00 H new ATOM 613 N ASN A 42 -7.092 4.490 9.763 1.00 0.00 N ATOM 614 CA ASN A 42 -8.530 4.736 9.798 1.00 0.00 C ATOM 615 C ASN A 42 -8.967 5.577 8.602 1.00 0.00 C ATOM 616 O ASN A 42 -9.940 6.327 8.680 1.00 0.00 O ATOM 617 CB ASN A 42 -8.916 5.441 11.100 1.00 0.00 C ATOM 618 CG ASN A 42 -10.386 5.275 11.434 1.00 0.00 C ATOM 619 OD1 ASN A 42 -11.258 5.689 10.670 1.00 0.00 O ATOM 620 ND2 ASN A 42 -10.667 4.665 12.579 1.00 0.00 N ATOM 0 H ASN A 42 -6.834 3.505 9.705 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.040 3.774 9.749 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.314 5.044 11.917 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.682 6.503 11.018 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.638 4.523 12.856 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.912 4.338 13.181 1.00 0.00 H new ATOM 627 N VAL A 43 -8.243 5.445 7.496 1.00 0.00 N ATOM 628 CA VAL A 43 -8.557 6.190 6.283 1.00 0.00 C ATOM 629 C VAL A 43 -9.176 5.283 5.225 1.00 0.00 C ATOM 630 O VAL A 43 -8.751 4.146 5.022 1.00 0.00 O ATOM 631 CB VAL A 43 -7.301 6.862 5.696 1.00 0.00 C ATOM 632 CG1 VAL A 43 -7.632 7.561 4.387 1.00 0.00 C ATOM 633 CG2 VAL A 43 -6.704 7.840 6.697 1.00 0.00 C ATOM 0 H VAL A 43 -7.434 4.829 7.415 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.276 6.960 6.562 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.559 6.090 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.733 8.030 3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.010 6.832 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.391 8.323 4.563 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.818 8.306 6.266 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.438 8.609 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.428 7.307 7.607 1.00 0.00 H new ATOM 643 N PRO A 44 -10.204 5.797 4.534 1.00 0.00 N ATOM 644 CA PRO A 44 -10.903 5.050 3.484 1.00 0.00 C ATOM 645 C PRO A 44 -10.041 4.850 2.242 1.00 0.00 C ATOM 646 O PRO A 44 -9.382 5.780 1.776 1.00 0.00 O ATOM 647 CB PRO A 44 -12.108 5.937 3.161 1.00 0.00 C ATOM 648 CG PRO A 44 -11.681 7.312 3.544 1.00 0.00 C ATOM 649 CD PRO A 44 -10.763 7.146 4.724 1.00 0.00 C ATOM 0 HA PRO A 44 -11.171 4.044 3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -12.367 5.883 2.104 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.990 5.626 3.721 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.170 7.806 2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.541 7.930 3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.982 7.907 4.736 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.302 7.228 5.668 1.00 0.00 H new ATOM 657 N VAL A 45 -10.051 3.632 1.711 1.00 0.00 N ATOM 658 CA VAL A 45 -9.270 3.311 0.522 1.00 0.00 C ATOM 659 C VAL A 45 -9.637 4.227 -0.641 1.00 0.00 C ATOM 660 O VAL A 45 -8.841 4.433 -1.557 1.00 0.00 O ATOM 661 CB VAL A 45 -9.479 1.846 0.092 1.00 0.00 C ATOM 662 CG1 VAL A 45 -8.482 1.460 -0.989 1.00 0.00 C ATOM 663 CG2 VAL A 45 -9.363 0.918 1.292 1.00 0.00 C ATOM 0 H VAL A 45 -10.591 2.851 2.085 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.222 3.460 0.782 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.483 1.746 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -8.645 0.422 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.618 2.106 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.468 1.575 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.513 -0.113 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.373 1.019 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -10.120 1.182 2.030 1.00 0.00 H new ATOM 673 N ARG A 46 -10.848 4.774 -0.596 1.00 0.00 N ATOM 674 CA ARG A 46 -11.321 5.667 -1.646 1.00 0.00 C ATOM 675 C ARG A 46 -10.447 6.915 -1.733 1.00 0.00 C ATOM 676 O ARG A 46 -10.261 7.480 -2.810 1.00 0.00 O ATOM 677 CB ARG A 46 -12.775 6.067 -1.388 1.00 0.00 C ATOM 678 CG ARG A 46 -13.786 5.066 -1.924 1.00 0.00 C ATOM 679 CD ARG A 46 -13.944 5.186 -3.432 1.00 0.00 C ATOM 680 NE ARG A 46 -14.953 4.267 -3.951 1.00 0.00 N ATOM 681 CZ ARG A 46 -16.257 4.518 -3.929 1.00 0.00 C ATOM 682 NH1 ARG A 46 -16.708 5.655 -3.416 1.00 0.00 N ATOM 683 NH2 ARG A 46 -17.113 3.632 -4.421 1.00 0.00 N ATOM 0 H ARG A 46 -11.518 4.614 0.156 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.260 5.135 -2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.926 6.184 -0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.962 7.039 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.468 4.055 -1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.750 5.228 -1.442 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.220 6.209 -3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.987 4.984 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.639 3.384 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.053 6.339 -3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -17.710 5.845 -3.400 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.770 2.757 -4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -18.114 3.826 -4.403 1.00 0.00 H new ATOM 697 N GLN A 47 -9.915 7.339 -0.591 1.00 0.00 N ATOM 698 CA GLN A 47 -9.063 8.521 -0.538 1.00 0.00 C ATOM 699 C GLN A 47 -7.595 8.140 -0.700 1.00 0.00 C ATOM 700 O GLN A 47 -6.970 8.457 -1.712 1.00 0.00 O ATOM 701 CB GLN A 47 -9.266 9.264 0.783 1.00 0.00 C ATOM 702 CG GLN A 47 -8.039 10.035 1.243 1.00 0.00 C ATOM 703 CD GLN A 47 -8.391 11.237 2.097 1.00 0.00 C ATOM 704 OE1 GLN A 47 -8.189 11.231 3.312 1.00 0.00 O ATOM 705 NE2 GLN A 47 -8.921 12.278 1.465 1.00 0.00 N ATOM 0 H GLN A 47 -10.059 6.882 0.309 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.343 9.177 -1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.101 9.957 0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.544 8.546 1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -7.388 9.370 1.810 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.475 10.366 0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -9.071 12.240 0.457 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.178 13.115 1.988 1.00 0.00 H new ATOM 714 N GLN A 48 -7.051 7.460 0.304 1.00 0.00 N ATOM 715 CA GLN A 48 -5.655 7.038 0.272 1.00 0.00 C ATOM 716 C GLN A 48 -5.363 6.218 -0.980 1.00 0.00 C ATOM 717 O GLN A 48 -6.186 5.410 -1.412 1.00 0.00 O ATOM 718 CB GLN A 48 -5.319 6.221 1.521 1.00 0.00 C ATOM 719 CG GLN A 48 -5.817 4.785 1.461 1.00 0.00 C ATOM 720 CD GLN A 48 -5.395 3.971 2.668 1.00 0.00 C ATOM 721 OE1 GLN A 48 -4.505 4.369 3.420 1.00 0.00 O ATOM 722 NE2 GLN A 48 -6.034 2.823 2.860 1.00 0.00 N ATOM 0 H GLN A 48 -7.555 7.190 1.149 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.031 7.932 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.238 6.216 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.752 6.711 2.393 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.905 4.784 1.389 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.437 4.310 0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.765 2.532 2.211 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.793 2.232 3.656 1.00 0.00 H new ATOM 731 N ARG A 49 -4.186 6.431 -1.560 1.00 0.00 N ATOM 732 CA ARG A 49 -3.786 5.713 -2.764 1.00 0.00 C ATOM 733 C ARG A 49 -2.307 5.342 -2.710 1.00 0.00 C ATOM 734 O ARG A 49 -1.461 6.169 -2.368 1.00 0.00 O ATOM 735 CB ARG A 49 -4.065 6.561 -4.006 1.00 0.00 C ATOM 736 CG ARG A 49 -3.815 5.828 -5.313 1.00 0.00 C ATOM 737 CD ARG A 49 -3.685 6.795 -6.479 1.00 0.00 C ATOM 738 NE ARG A 49 -4.987 7.218 -6.988 1.00 0.00 N ATOM 739 CZ ARG A 49 -5.145 8.155 -7.916 1.00 0.00 C ATOM 740 NH1 ARG A 49 -4.087 8.764 -8.434 1.00 0.00 N ATOM 741 NH2 ARG A 49 -6.363 8.485 -8.327 1.00 0.00 N ATOM 0 H ARG A 49 -3.493 7.095 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.371 4.795 -2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.102 6.897 -3.980 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.440 7.453 -3.974 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -2.905 5.233 -5.229 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.633 5.134 -5.504 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.118 7.670 -6.162 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.119 6.321 -7.281 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.821 6.769 -6.610 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.150 8.513 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.211 9.483 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.179 8.019 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.483 9.205 -9.040 1.00 0.00 H new ATOM 755 N LEU A 50 -2.003 4.094 -3.048 1.00 0.00 N ATOM 756 CA LEU A 50 -0.626 3.612 -3.037 1.00 0.00 C ATOM 757 C LEU A 50 0.064 3.905 -4.366 1.00 0.00 C ATOM 758 O LEU A 50 -0.585 3.981 -5.411 1.00 0.00 O ATOM 759 CB LEU A 50 -0.592 2.110 -2.752 1.00 0.00 C ATOM 760 CG LEU A 50 -1.113 1.675 -1.382 1.00 0.00 C ATOM 761 CD1 LEU A 50 -1.099 0.159 -1.262 1.00 0.00 C ATOM 762 CD2 LEU A 50 -0.287 2.307 -0.272 1.00 0.00 C ATOM 0 H LEU A 50 -2.691 3.397 -3.333 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.090 4.137 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.176 1.602 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.437 1.764 -2.854 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.143 2.017 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.473 -0.132 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.734 -0.273 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.079 -0.206 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.672 1.986 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.753 1.996 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.349 3.393 -0.345 1.00 0.00 H new ATOM 774 N LEU A 51 1.381 4.066 -4.320 1.00 0.00 N ATOM 775 CA LEU A 51 2.160 4.348 -5.521 1.00 0.00 C ATOM 776 C LEU A 51 3.558 3.745 -5.418 1.00 0.00 C ATOM 777 O LEU A 51 4.209 3.836 -4.377 1.00 0.00 O ATOM 778 CB LEU A 51 2.259 5.858 -5.746 1.00 0.00 C ATOM 779 CG LEU A 51 0.985 6.548 -6.237 1.00 0.00 C ATOM 780 CD1 LEU A 51 1.137 8.059 -6.169 1.00 0.00 C ATOM 781 CD2 LEU A 51 0.651 6.106 -7.654 1.00 0.00 C ATOM 0 H LEU A 51 1.933 4.006 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 51 1.650 3.893 -6.370 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.564 6.326 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.052 6.046 -6.469 1.00 0.00 H new ATOM 0 HG LEU A 51 0.162 6.257 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.221 8.533 -6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.327 8.360 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.972 8.369 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.258 6.607 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.474 6.367 -8.320 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.498 5.027 -7.672 1.00 0.00 H new ATOM 793 N PHE A 52 4.013 3.132 -6.505 1.00 0.00 N ATOM 794 CA PHE A 52 5.335 2.515 -6.537 1.00 0.00 C ATOM 795 C PHE A 52 6.152 3.041 -7.714 1.00 0.00 C ATOM 796 O PHE A 52 5.802 2.825 -8.874 1.00 0.00 O ATOM 797 CB PHE A 52 5.208 0.993 -6.630 1.00 0.00 C ATOM 798 CG PHE A 52 6.522 0.275 -6.518 1.00 0.00 C ATOM 799 CD1 PHE A 52 7.042 -0.057 -5.277 1.00 0.00 C ATOM 800 CD2 PHE A 52 7.238 -0.070 -7.653 1.00 0.00 C ATOM 801 CE1 PHE A 52 8.251 -0.717 -5.170 1.00 0.00 C ATOM 802 CE2 PHE A 52 8.448 -0.731 -7.553 1.00 0.00 C ATOM 803 CZ PHE A 52 8.955 -1.056 -6.310 1.00 0.00 C ATOM 0 H PHE A 52 3.487 3.049 -7.375 1.00 0.00 H new ATOM 0 HA PHE A 52 5.852 2.774 -5.613 1.00 0.00 H new ATOM 0 HB2 PHE A 52 4.543 0.643 -5.840 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.740 0.733 -7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 52 6.495 0.203 -4.383 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.846 0.181 -8.628 1.00 0.00 H new ATOM 0 HE1 PHE A 52 8.646 -0.968 -4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.996 -0.993 -8.446 1.00 0.00 H new ATOM 0 HZ PHE A 52 9.899 -1.574 -6.229 1.00 0.00 H new ATOM 813 N LYS A 53 7.243 3.735 -7.405 1.00 0.00 N ATOM 814 CA LYS A 53 8.112 4.292 -8.435 1.00 0.00 C ATOM 815 C LYS A 53 7.299 5.047 -9.482 1.00 0.00 C ATOM 816 O LYS A 53 7.630 5.032 -10.667 1.00 0.00 O ATOM 817 CB LYS A 53 8.921 3.180 -9.105 1.00 0.00 C ATOM 818 CG LYS A 53 9.744 2.355 -8.132 1.00 0.00 C ATOM 819 CD LYS A 53 11.076 3.019 -7.825 1.00 0.00 C ATOM 820 CE LYS A 53 12.075 2.027 -7.250 1.00 0.00 C ATOM 821 NZ LYS A 53 11.735 1.646 -5.851 1.00 0.00 N ATOM 0 H LYS A 53 7.546 3.925 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 53 8.797 4.993 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.240 2.520 -9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.586 3.623 -9.846 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.184 2.216 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.919 1.364 -8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.482 3.459 -8.735 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.923 3.834 -7.117 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.100 1.134 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.074 2.462 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.439 0.969 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.736 2.495 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.792 1.208 -5.830 1.00 0.00 H new ATOM 835 N GLY A 54 6.235 5.707 -9.037 1.00 0.00 N ATOM 836 CA GLY A 54 5.393 6.460 -9.948 1.00 0.00 C ATOM 837 C GLY A 54 4.444 5.571 -10.729 1.00 0.00 C ATOM 838 O GLY A 54 3.990 5.936 -11.813 1.00 0.00 O ATOM 0 H GLY A 54 5.941 5.734 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.817 7.194 -9.384 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.022 7.015 -10.644 1.00 0.00 H new ATOM 842 N LYS A 55 4.146 4.399 -10.178 1.00 0.00 N ATOM 843 CA LYS A 55 3.246 3.455 -10.828 1.00 0.00 C ATOM 844 C LYS A 55 1.938 3.327 -10.053 1.00 0.00 C ATOM 845 O LYS A 55 1.937 2.989 -8.870 1.00 0.00 O ATOM 846 CB LYS A 55 3.914 2.083 -10.950 1.00 0.00 C ATOM 847 CG LYS A 55 3.036 1.035 -11.612 1.00 0.00 C ATOM 848 CD LYS A 55 3.063 1.161 -13.126 1.00 0.00 C ATOM 849 CE LYS A 55 4.302 0.508 -13.717 1.00 0.00 C ATOM 850 NZ LYS A 55 4.367 0.678 -15.195 1.00 0.00 N ATOM 0 H LYS A 55 4.515 4.081 -9.282 1.00 0.00 H new ATOM 0 HA LYS A 55 3.022 3.834 -11.825 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.836 2.187 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.194 1.735 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.374 0.040 -11.323 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.011 1.139 -11.255 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.170 0.698 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.037 2.214 -13.405 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.193 0.941 -13.262 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.304 -0.554 -13.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.226 0.219 -15.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 3.530 0.243 -15.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.391 1.691 -15.427 1.00 0.00 H new ATOM 864 N ALA A 56 0.826 3.599 -10.729 1.00 0.00 N ATOM 865 CA ALA A 56 -0.488 3.512 -10.105 1.00 0.00 C ATOM 866 C ALA A 56 -0.974 2.067 -10.048 1.00 0.00 C ATOM 867 O ALA A 56 -1.183 1.431 -11.082 1.00 0.00 O ATOM 868 CB ALA A 56 -1.488 4.378 -10.856 1.00 0.00 C ATOM 0 H ALA A 56 0.810 3.881 -11.709 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.402 3.880 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.465 4.303 -10.379 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.155 5.416 -10.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.562 4.037 -11.889 1.00 0.00 H new ATOM 874 N LEU A 57 -1.150 1.555 -8.836 1.00 0.00 N ATOM 875 CA LEU A 57 -1.611 0.184 -8.644 1.00 0.00 C ATOM 876 C LEU A 57 -3.133 0.106 -8.717 1.00 0.00 C ATOM 877 O LEU A 57 -3.832 1.034 -8.312 1.00 0.00 O ATOM 878 CB LEU A 57 -1.126 -0.355 -7.297 1.00 0.00 C ATOM 879 CG LEU A 57 0.341 -0.089 -6.958 1.00 0.00 C ATOM 880 CD1 LEU A 57 0.795 -0.983 -5.814 1.00 0.00 C ATOM 881 CD2 LEU A 57 1.219 -0.301 -8.182 1.00 0.00 C ATOM 0 H LEU A 57 -0.981 2.068 -7.971 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.195 -0.428 -9.444 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.744 0.078 -6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.293 -1.432 -7.277 1.00 0.00 H new ATOM 0 HG LEU A 57 0.438 0.950 -6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.841 -0.780 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.186 -0.783 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.683 -2.028 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.259 -0.107 -7.921 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.117 -1.329 -8.529 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.910 0.381 -8.974 1.00 0.00 H new ATOM 893 N ALA A 58 -3.638 -1.009 -9.235 1.00 0.00 N ATOM 894 CA ALA A 58 -5.077 -1.211 -9.357 1.00 0.00 C ATOM 895 C ALA A 58 -5.572 -2.253 -8.360 1.00 0.00 C ATOM 896 O ALA A 58 -5.066 -3.375 -8.318 1.00 0.00 O ATOM 897 CB ALA A 58 -5.433 -1.625 -10.777 1.00 0.00 C ATOM 0 H ALA A 58 -3.072 -1.786 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.572 -0.267 -9.131 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.510 -1.772 -10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.123 -0.845 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.921 -2.555 -11.024 1.00 0.00 H new ATOM 903 N ASP A 59 -6.562 -1.875 -7.559 1.00 0.00 N ATOM 904 CA ASP A 59 -7.126 -2.778 -6.562 1.00 0.00 C ATOM 905 C ASP A 59 -7.520 -4.109 -7.196 1.00 0.00 C ATOM 906 O ASP A 59 -8.564 -4.217 -7.839 1.00 0.00 O ATOM 907 CB ASP A 59 -8.343 -2.137 -5.893 1.00 0.00 C ATOM 908 CG ASP A 59 -9.487 -1.914 -6.862 1.00 0.00 C ATOM 909 OD1 ASP A 59 -9.226 -1.451 -7.993 1.00 0.00 O ATOM 910 OD2 ASP A 59 -10.643 -2.205 -6.491 1.00 0.00 O ATOM 0 H ASP A 59 -6.991 -0.950 -7.580 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.364 -2.968 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.682 -2.774 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.052 -1.183 -5.454 1.00 0.00 H new ATOM 915 N GLY A 60 -6.678 -5.120 -7.009 1.00 0.00 N ATOM 916 CA GLY A 60 -6.955 -6.430 -7.569 1.00 0.00 C ATOM 917 C GLY A 60 -5.694 -7.166 -7.976 1.00 0.00 C ATOM 918 O GLY A 60 -5.544 -8.356 -7.701 1.00 0.00 O ATOM 0 H GLY A 60 -5.809 -5.056 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.500 -7.027 -6.837 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.604 -6.320 -8.438 1.00 0.00 H new ATOM 922 N LYS A 61 -4.783 -6.456 -8.634 1.00 0.00 N ATOM 923 CA LYS A 61 -3.528 -7.048 -9.080 1.00 0.00 C ATOM 924 C LYS A 61 -2.656 -7.437 -7.890 1.00 0.00 C ATOM 925 O LYS A 61 -3.021 -7.202 -6.738 1.00 0.00 O ATOM 926 CB LYS A 61 -2.771 -6.071 -9.982 1.00 0.00 C ATOM 927 CG LYS A 61 -3.501 -5.745 -11.274 1.00 0.00 C ATOM 928 CD LYS A 61 -2.532 -5.377 -12.385 1.00 0.00 C ATOM 929 CE LYS A 61 -3.256 -5.146 -13.702 1.00 0.00 C ATOM 930 NZ LYS A 61 -3.884 -3.797 -13.762 1.00 0.00 N ATOM 0 H LYS A 61 -4.891 -5.470 -8.870 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.762 -7.949 -9.647 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.592 -5.147 -9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.795 -6.493 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -4.099 -6.603 -11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.192 -4.919 -11.104 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.983 -4.477 -12.107 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.797 -6.173 -12.507 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.552 -5.256 -14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -4.023 -5.909 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.367 -3.679 -14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.574 -3.701 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.150 -3.067 -13.662 1.00 0.00 H new ATOM 944 N ARG A 62 -1.502 -8.031 -8.177 1.00 0.00 N ATOM 945 CA ARG A 62 -0.579 -8.451 -7.130 1.00 0.00 C ATOM 946 C ARG A 62 0.726 -7.664 -7.208 1.00 0.00 C ATOM 947 O ARG A 62 1.279 -7.463 -8.290 1.00 0.00 O ATOM 948 CB ARG A 62 -0.291 -9.949 -7.246 1.00 0.00 C ATOM 949 CG ARG A 62 -1.514 -10.824 -7.022 1.00 0.00 C ATOM 950 CD ARG A 62 -1.351 -12.187 -7.675 1.00 0.00 C ATOM 951 NE ARG A 62 -1.743 -12.171 -9.082 1.00 0.00 N ATOM 952 CZ ARG A 62 -2.982 -11.928 -9.497 1.00 0.00 C ATOM 953 NH1 ARG A 62 -3.943 -11.683 -8.617 1.00 0.00 N ATOM 954 NH2 ARG A 62 -3.260 -11.930 -10.794 1.00 0.00 N ATOM 0 H ARG A 62 -1.184 -8.232 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.047 -8.251 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.117 -10.156 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.477 -10.220 -6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.682 -10.950 -5.952 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.396 -10.328 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.312 -12.507 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.954 -12.920 -7.139 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.027 -12.356 -9.784 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.732 -11.681 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.893 -11.497 -8.938 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.523 -12.118 -11.473 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.211 -11.743 -11.112 1.00 0.00 H new ATOM 968 N LEU A 63 1.214 -7.222 -6.054 1.00 0.00 N ATOM 969 CA LEU A 63 2.454 -6.456 -5.991 1.00 0.00 C ATOM 970 C LEU A 63 3.576 -7.175 -6.732 1.00 0.00 C ATOM 971 O LEU A 63 4.462 -6.541 -7.305 1.00 0.00 O ATOM 972 CB LEU A 63 2.857 -6.221 -4.534 1.00 0.00 C ATOM 973 CG LEU A 63 2.161 -5.060 -3.824 1.00 0.00 C ATOM 974 CD1 LEU A 63 2.496 -5.063 -2.340 1.00 0.00 C ATOM 975 CD2 LEU A 63 2.554 -3.733 -4.458 1.00 0.00 C ATOM 0 H LEU A 63 0.770 -7.381 -5.150 1.00 0.00 H new ATOM 0 HA LEU A 63 2.284 -5.494 -6.474 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.661 -7.134 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.933 -6.050 -4.499 1.00 0.00 H new ATOM 0 HG LEU A 63 1.084 -5.187 -3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.992 -4.229 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.163 -6.000 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.573 -4.962 -2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.049 -2.918 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.633 -3.598 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.262 -3.731 -5.508 1.00 0.00 H new ATOM 987 N SER A 64 3.531 -8.504 -6.718 1.00 0.00 N ATOM 988 CA SER A 64 4.545 -9.310 -7.388 1.00 0.00 C ATOM 989 C SER A 64 4.538 -9.053 -8.891 1.00 0.00 C ATOM 990 O SER A 64 5.581 -9.097 -9.545 1.00 0.00 O ATOM 991 CB SER A 64 4.310 -10.796 -7.112 1.00 0.00 C ATOM 992 OG SER A 64 3.043 -11.210 -7.595 1.00 0.00 O ATOM 0 H SER A 64 2.804 -9.045 -6.250 1.00 0.00 H new ATOM 0 HA SER A 64 5.520 -9.024 -6.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.094 -11.386 -7.587 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.374 -10.985 -6.040 1.00 0.00 H new ATOM 0 HG SER A 64 2.799 -12.065 -7.183 1.00 0.00 H new ATOM 998 N ASP A 65 3.356 -8.784 -9.434 1.00 0.00 N ATOM 999 CA ASP A 65 3.211 -8.518 -10.860 1.00 0.00 C ATOM 1000 C ASP A 65 3.890 -7.206 -11.240 1.00 0.00 C ATOM 1001 O ASP A 65 4.355 -7.040 -12.368 1.00 0.00 O ATOM 1002 CB ASP A 65 1.731 -8.471 -11.245 1.00 0.00 C ATOM 1003 CG ASP A 65 1.525 -8.402 -12.745 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.031 -9.296 -13.455 1.00 0.00 O ATOM 1005 OD2 ASP A 65 0.857 -7.455 -13.208 1.00 0.00 O ATOM 0 H ASP A 65 2.483 -8.744 -8.907 1.00 0.00 H new ATOM 0 HA ASP A 65 3.694 -9.328 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.228 -9.355 -10.852 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.264 -7.604 -10.777 1.00 0.00 H new ATOM 1010 N TYR A 66 3.943 -6.278 -10.292 1.00 0.00 N ATOM 1011 CA TYR A 66 4.562 -4.979 -10.529 1.00 0.00 C ATOM 1012 C TYR A 66 6.069 -5.044 -10.300 1.00 0.00 C ATOM 1013 O TYR A 66 6.773 -4.043 -10.437 1.00 0.00 O ATOM 1014 CB TYR A 66 3.942 -3.921 -9.615 1.00 0.00 C ATOM 1015 CG TYR A 66 2.609 -3.403 -10.105 1.00 0.00 C ATOM 1016 CD1 TYR A 66 2.538 -2.475 -11.136 1.00 0.00 C ATOM 1017 CD2 TYR A 66 1.419 -3.844 -9.537 1.00 0.00 C ATOM 1018 CE1 TYR A 66 1.322 -1.999 -11.586 1.00 0.00 C ATOM 1019 CE2 TYR A 66 0.199 -3.375 -9.983 1.00 0.00 C ATOM 1020 CZ TYR A 66 0.155 -2.452 -11.007 1.00 0.00 C ATOM 1021 OH TYR A 66 -1.058 -1.982 -11.454 1.00 0.00 O ATOM 0 H TYR A 66 3.565 -6.400 -9.353 1.00 0.00 H new ATOM 0 HA TYR A 66 4.382 -4.703 -11.568 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.814 -4.344 -8.619 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.634 -3.085 -9.520 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.449 -2.119 -11.594 1.00 0.00 H new ATOM 0 HD2 TYR A 66 1.449 -4.565 -8.734 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.285 -1.276 -12.387 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.716 -3.729 -9.532 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.776 -2.561 -11.123 1.00 0.00 H new ATOM 1031 N SER A 67 6.558 -6.230 -9.952 1.00 0.00 N ATOM 1032 CA SER A 67 7.981 -6.427 -9.701 1.00 0.00 C ATOM 1033 C SER A 67 8.389 -5.803 -8.370 1.00 0.00 C ATOM 1034 O SER A 67 9.486 -5.258 -8.238 1.00 0.00 O ATOM 1035 CB SER A 67 8.809 -5.822 -10.836 1.00 0.00 C ATOM 1036 OG SER A 67 10.108 -6.386 -10.876 1.00 0.00 O ATOM 0 H SER A 67 5.990 -7.069 -9.837 1.00 0.00 H new ATOM 0 HA SER A 67 8.172 -7.499 -9.653 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.306 -5.992 -11.788 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.882 -4.743 -10.702 1.00 0.00 H new ATOM 0 HG SER A 67 10.532 -6.294 -9.997 1.00 0.00 H new ATOM 1042 N ILE A 68 7.500 -5.887 -7.387 1.00 0.00 N ATOM 1043 CA ILE A 68 7.767 -5.333 -6.066 1.00 0.00 C ATOM 1044 C ILE A 68 8.012 -6.438 -5.044 1.00 0.00 C ATOM 1045 O ILE A 68 7.091 -7.156 -4.658 1.00 0.00 O ATOM 1046 CB ILE A 68 6.603 -4.449 -5.580 1.00 0.00 C ATOM 1047 CG1 ILE A 68 6.410 -3.259 -6.521 1.00 0.00 C ATOM 1048 CG2 ILE A 68 6.858 -3.971 -4.158 1.00 0.00 C ATOM 1049 CD1 ILE A 68 4.999 -2.713 -6.523 1.00 0.00 C ATOM 0 H ILE A 68 6.588 -6.334 -7.480 1.00 0.00 H new ATOM 0 HA ILE A 68 8.664 -4.721 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 68 5.689 -5.043 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.098 -2.464 -6.234 1.00 0.00 H new ATOM 0 HG13 ILE A 68 6.676 -3.560 -7.534 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.027 -3.348 -3.829 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.950 -4.832 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.780 -3.391 -4.129 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.936 -1.871 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 68 4.307 -3.494 -6.839 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.736 -2.380 -5.519 1.00 0.00 H new ATOM 1061 N GLY A 69 9.262 -6.568 -4.609 1.00 0.00 N ATOM 1062 CA GLY A 69 9.606 -7.587 -3.635 1.00 0.00 C ATOM 1063 C GLY A 69 9.490 -7.088 -2.209 1.00 0.00 C ATOM 1064 O GLY A 69 8.790 -6.117 -1.923 1.00 0.00 O ATOM 0 H GLY A 69 10.042 -5.986 -4.914 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.953 -8.449 -3.769 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.625 -7.928 -3.815 1.00 0.00 H new ATOM 1068 N PRO A 70 10.189 -7.763 -1.283 1.00 0.00 N ATOM 1069 CA PRO A 70 10.177 -7.401 0.137 1.00 0.00 C ATOM 1070 C PRO A 70 10.901 -6.086 0.407 1.00 0.00 C ATOM 1071 O PRO A 70 11.574 -5.547 -0.470 1.00 0.00 O ATOM 1072 CB PRO A 70 10.913 -8.564 0.806 1.00 0.00 C ATOM 1073 CG PRO A 70 11.792 -9.120 -0.261 1.00 0.00 C ATOM 1074 CD PRO A 70 11.045 -8.930 -1.552 1.00 0.00 C ATOM 0 HA PRO A 70 9.164 -7.249 0.510 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.496 -8.224 1.662 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.214 -9.315 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.751 -8.603 -0.285 1.00 0.00 H new ATOM 0 HG3 PRO A 70 12.003 -10.175 -0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 70 11.723 -8.747 -2.385 1.00 0.00 H new ATOM 0 HD3 PRO A 70 10.455 -9.810 -1.808 1.00 0.00 H new ATOM 1082 N ASN A 71 10.758 -5.576 1.626 1.00 0.00 N ATOM 1083 CA ASN A 71 11.399 -4.324 2.011 1.00 0.00 C ATOM 1084 C ASN A 71 11.093 -3.223 1.000 1.00 0.00 C ATOM 1085 O ASN A 71 11.969 -2.438 0.637 1.00 0.00 O ATOM 1086 CB ASN A 71 12.913 -4.517 2.128 1.00 0.00 C ATOM 1087 CG ASN A 71 13.296 -5.368 3.324 1.00 0.00 C ATOM 1088 OD1 ASN A 71 12.740 -6.445 3.537 1.00 0.00 O ATOM 1089 ND2 ASN A 71 14.251 -4.886 4.111 1.00 0.00 N ATOM 0 H ASN A 71 10.204 -6.010 2.364 1.00 0.00 H new ATOM 0 HA ASN A 71 11.001 -4.024 2.980 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.289 -4.984 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.396 -3.543 2.209 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.551 -5.414 4.931 1.00 0.00 H new ATOM 0 HD22 ASN A 71 14.684 -3.988 3.896 1.00 0.00 H new ATOM 1096 N SER A 72 9.843 -3.172 0.550 1.00 0.00 N ATOM 1097 CA SER A 72 9.421 -2.169 -0.421 1.00 0.00 C ATOM 1098 C SER A 72 8.632 -1.053 0.259 1.00 0.00 C ATOM 1099 O SER A 72 7.676 -1.309 0.990 1.00 0.00 O ATOM 1100 CB SER A 72 8.571 -2.815 -1.516 1.00 0.00 C ATOM 1101 OG SER A 72 9.387 -3.360 -2.539 1.00 0.00 O ATOM 0 H SER A 72 9.105 -3.813 0.842 1.00 0.00 H new ATOM 0 HA SER A 72 10.314 -1.737 -0.872 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.951 -3.600 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.895 -2.073 -1.942 1.00 0.00 H new ATOM 0 HG SER A 72 9.335 -4.338 -2.513 1.00 0.00 H new ATOM 1107 N LYS A 73 9.041 0.187 0.011 1.00 0.00 N ATOM 1108 CA LYS A 73 8.374 1.344 0.596 1.00 0.00 C ATOM 1109 C LYS A 73 7.334 1.915 -0.363 1.00 0.00 C ATOM 1110 O LYS A 73 7.677 2.491 -1.396 1.00 0.00 O ATOM 1111 CB LYS A 73 9.399 2.422 0.954 1.00 0.00 C ATOM 1112 CG LYS A 73 10.220 2.095 2.189 1.00 0.00 C ATOM 1113 CD LYS A 73 11.512 2.894 2.229 1.00 0.00 C ATOM 1114 CE LYS A 73 11.297 4.270 2.840 1.00 0.00 C ATOM 1115 NZ LYS A 73 12.575 5.023 2.975 1.00 0.00 N ATOM 0 H LYS A 73 9.832 0.416 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 73 7.866 1.019 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.072 2.567 0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.879 3.367 1.113 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.633 2.306 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.450 1.030 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.259 2.351 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.906 3.001 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.604 4.839 2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.833 4.163 3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.386 5.955 3.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.227 4.493 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.006 5.147 2.036 1.00 0.00 H new ATOM 1129 N LEU A 74 6.063 1.752 -0.014 1.00 0.00 N ATOM 1130 CA LEU A 74 4.972 2.252 -0.843 1.00 0.00 C ATOM 1131 C LEU A 74 4.678 3.716 -0.531 1.00 0.00 C ATOM 1132 O LEU A 74 4.837 4.163 0.604 1.00 0.00 O ATOM 1133 CB LEU A 74 3.713 1.410 -0.628 1.00 0.00 C ATOM 1134 CG LEU A 74 3.599 0.144 -1.477 1.00 0.00 C ATOM 1135 CD1 LEU A 74 2.704 -0.878 -0.794 1.00 0.00 C ATOM 1136 CD2 LEU A 74 3.068 0.479 -2.864 1.00 0.00 C ATOM 0 H LEU A 74 5.762 1.278 0.837 1.00 0.00 H new ATOM 0 HA LEU A 74 5.278 2.176 -1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.667 1.124 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.843 2.036 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 74 4.593 -0.289 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.635 -1.772 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.126 -1.140 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.709 -0.455 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.993 -0.434 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.082 0.936 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.748 1.175 -3.356 1.00 0.00 H new ATOM 1148 N ASN A 75 4.246 4.458 -1.546 1.00 0.00 N ATOM 1149 CA ASN A 75 3.928 5.871 -1.379 1.00 0.00 C ATOM 1150 C ASN A 75 2.422 6.079 -1.257 1.00 0.00 C ATOM 1151 O ASN A 75 1.650 5.617 -2.099 1.00 0.00 O ATOM 1152 CB ASN A 75 4.473 6.680 -2.558 1.00 0.00 C ATOM 1153 CG ASN A 75 5.912 7.108 -2.350 1.00 0.00 C ATOM 1154 OD1 ASN A 75 6.830 6.289 -2.405 1.00 0.00 O ATOM 1155 ND2 ASN A 75 6.117 8.398 -2.108 1.00 0.00 N ATOM 0 H ASN A 75 4.108 4.104 -2.493 1.00 0.00 H new ATOM 0 HA ASN A 75 4.400 6.218 -0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.402 6.084 -3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.852 7.563 -2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.065 8.745 -1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.327 9.042 -2.071 1.00 0.00 H new ATOM 1162 N LEU A 76 2.010 6.777 -0.205 1.00 0.00 N ATOM 1163 CA LEU A 76 0.595 7.047 0.027 1.00 0.00 C ATOM 1164 C LEU A 76 0.208 8.422 -0.509 1.00 0.00 C ATOM 1165 O LEU A 76 0.985 9.374 -0.426 1.00 0.00 O ATOM 1166 CB LEU A 76 0.278 6.962 1.521 1.00 0.00 C ATOM 1167 CG LEU A 76 -1.184 6.698 1.883 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -1.697 5.461 1.163 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -1.341 6.544 3.389 1.00 0.00 C ATOM 0 H LEU A 76 2.635 7.166 0.501 1.00 0.00 H new ATOM 0 HA LEU A 76 0.014 6.293 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.888 6.171 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.585 7.896 1.991 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.778 7.553 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.739 5.289 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.621 5.609 0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.099 4.597 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.388 6.357 3.628 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.734 5.707 3.734 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.013 7.458 3.884 1.00 0.00 H new ATOM 1181 N VAL A 77 -0.999 8.520 -1.057 1.00 0.00 N ATOM 1182 CA VAL A 77 -1.490 9.779 -1.604 1.00 0.00 C ATOM 1183 C VAL A 77 -2.935 10.032 -1.187 1.00 0.00 C ATOM 1184 O VAL A 77 -3.733 9.101 -1.076 1.00 0.00 O ATOM 1185 CB VAL A 77 -1.401 9.796 -3.141 1.00 0.00 C ATOM 1186 CG1 VAL A 77 -1.954 11.101 -3.694 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.036 9.582 -3.593 1.00 0.00 C ATOM 0 H VAL A 77 -1.655 7.743 -1.134 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.855 10.568 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.007 8.978 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.883 11.095 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.998 11.208 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.378 11.937 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.081 9.597 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.665 10.377 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.393 8.619 -3.228 1.00 0.00 H new ATOM 1197 N VAL A 78 -3.266 11.299 -0.958 1.00 0.00 N ATOM 1198 CA VAL A 78 -4.615 11.676 -0.554 1.00 0.00 C ATOM 1199 C VAL A 78 -5.414 12.208 -1.739 1.00 0.00 C ATOM 1200 O VAL A 78 -4.977 13.124 -2.435 1.00 0.00 O ATOM 1201 CB VAL A 78 -4.592 12.743 0.556 1.00 0.00 C ATOM 1202 CG1 VAL A 78 -6.007 13.106 0.978 1.00 0.00 C ATOM 1203 CG2 VAL A 78 -3.780 12.255 1.746 1.00 0.00 C ATOM 0 H VAL A 78 -2.618 12.082 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.094 10.775 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.115 13.641 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.970 13.861 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.553 13.500 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.514 12.217 1.353 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.774 13.021 2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.226 11.342 2.141 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.757 12.051 1.429 1.00 0.00 H new