USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 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 3 SER OG : rot -79:sc= 1.21 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -121:sc= -0.183 (180deg=-2.02!) USER MOD Single : A 8 ASN : amide:sc= -4.87! C(o=-4.9!,f=-17!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= -0.0302 (180deg=-0.318) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -7.58! C(o=-7.6!,f=-9.6!) USER MOD Single : A 23 THR OG1 : rot 77:sc= 0.199 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 28 LYS NZ :NH3+ -122:sc= 1.11 (180deg=0.36) USER MOD Single : A 29 THR OG1 : rot -25:sc= -2.16! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 34 SER OG : rot 160:sc= 0 USER MOD Single : A 36 SER OG : rot 98:sc= -0.356! USER MOD Single : A 37 CYS SG : rot -75:sc= -1.82 USER MOD Single : A 40 SER OG : rot 10:sc= 0.64! USER MOD Single : A 41 GLN : amide:sc= -4.43! C(o=-4.4!,f=-6.5!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.62 K(o=-1.6,f=-0.79) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= -0.302 (180deg=-1.52!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0736 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 21:sc= -5.79! USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 0.679 (180deg=-1.5) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -0.776 -18.057 1.654 1.00 0.00 N ATOM 21 CA VAL A 2 -0.119 -17.631 0.421 1.00 0.00 C ATOM 22 C VAL A 2 1.002 -16.650 0.729 1.00 0.00 C ATOM 23 O VAL A 2 0.814 -15.666 1.441 1.00 0.00 O ATOM 24 CB VAL A 2 -1.150 -17.005 -0.542 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.513 -16.909 0.146 1.00 0.00 C ATOM 26 CG2 VAL A 2 -0.716 -15.599 -0.984 1.00 0.00 C ATOM 0 HA VAL A 2 0.319 -18.503 -0.065 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.217 -17.645 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.236 -16.466 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.847 -17.906 0.432 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.428 -16.286 1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.462 -15.184 -1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.622 -14.955 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.245 -15.659 -1.495 1.00 0.00 H new ATOM 36 N SER A 3 2.167 -16.935 0.167 1.00 0.00 N ATOM 37 CA SER A 3 3.338 -16.091 0.353 1.00 0.00 C ATOM 38 C SER A 3 3.500 -15.175 -0.850 1.00 0.00 C ATOM 39 O SER A 3 3.358 -15.611 -1.991 1.00 0.00 O ATOM 40 CB SER A 3 4.589 -16.954 0.515 1.00 0.00 C ATOM 41 OG SER A 3 4.487 -17.709 1.715 1.00 0.00 O ATOM 0 H SER A 3 2.327 -17.750 -0.425 1.00 0.00 H new ATOM 0 HA SER A 3 3.205 -15.491 1.253 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.698 -17.621 -0.340 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.478 -16.324 0.543 1.00 0.00 H new ATOM 0 HG SER A 3 4.716 -17.140 2.480 1.00 0.00 H new ATOM 47 N LEU A 4 3.783 -13.903 -0.597 1.00 0.00 N ATOM 48 CA LEU A 4 3.942 -12.945 -1.683 1.00 0.00 C ATOM 49 C LEU A 4 5.211 -12.130 -1.521 1.00 0.00 C ATOM 50 O LEU A 4 5.887 -12.197 -0.495 1.00 0.00 O ATOM 51 CB LEU A 4 2.737 -12.006 -1.723 1.00 0.00 C ATOM 52 CG LEU A 4 1.472 -12.834 -1.929 1.00 0.00 C ATOM 53 CD1 LEU A 4 0.241 -11.939 -1.763 1.00 0.00 C ATOM 54 CD2 LEU A 4 1.477 -13.459 -3.332 1.00 0.00 C ATOM 0 H LEU A 4 3.906 -13.515 0.338 1.00 0.00 H new ATOM 0 HA LEU A 4 4.011 -13.503 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 4 2.670 -11.439 -0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 4 2.850 -11.282 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 4 1.441 -13.632 -1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.662 -12.531 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.235 -11.511 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.273 -11.136 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.571 -14.048 -3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.515 -12.669 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 4 2.349 -14.104 -3.440 1.00 0.00 H new ATOM 66 N THR A 5 5.519 -11.356 -2.551 1.00 0.00 N ATOM 67 CA THR A 5 6.712 -10.507 -2.542 1.00 0.00 C ATOM 68 C THR A 5 6.366 -9.083 -2.949 1.00 0.00 C ATOM 69 O THR A 5 5.938 -8.838 -4.076 1.00 0.00 O ATOM 70 CB THR A 5 7.766 -11.052 -3.513 1.00 0.00 C ATOM 71 OG1 THR A 5 8.429 -12.159 -2.919 1.00 0.00 O ATOM 72 CG2 THR A 5 8.789 -9.950 -3.832 1.00 0.00 C ATOM 0 H THR A 5 4.964 -11.295 -3.404 1.00 0.00 H new ATOM 0 HA THR A 5 7.109 -10.508 -1.527 1.00 0.00 H new ATOM 0 HB THR A 5 7.280 -11.372 -4.435 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.102 -12.509 -3.540 1.00 0.00 H new ATOM 0 HG21 THR A 5 9.538 -10.338 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.279 -9.102 -4.289 1.00 0.00 H new ATOM 0 HG23 THR A 5 9.276 -9.628 -2.911 1.00 0.00 H new ATOM 80 N PHE A 6 6.574 -8.142 -2.037 1.00 0.00 N ATOM 81 CA PHE A 6 6.295 -6.744 -2.337 1.00 0.00 C ATOM 82 C PHE A 6 7.572 -6.039 -2.785 1.00 0.00 C ATOM 83 O PHE A 6 8.523 -5.904 -2.015 1.00 0.00 O ATOM 84 CB PHE A 6 5.702 -6.056 -1.109 1.00 0.00 C ATOM 85 CG PHE A 6 4.295 -6.564 -0.906 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.086 -7.857 -0.412 1.00 0.00 C ATOM 87 CD2 PHE A 6 3.202 -5.752 -1.223 1.00 0.00 C ATOM 88 CE1 PHE A 6 2.783 -8.336 -0.232 1.00 0.00 C ATOM 89 CE2 PHE A 6 1.899 -6.229 -1.043 1.00 0.00 C ATOM 90 CZ PHE A 6 1.689 -7.522 -0.549 1.00 0.00 C ATOM 0 H PHE A 6 6.930 -8.317 -1.097 1.00 0.00 H new ATOM 0 HA PHE A 6 5.570 -6.691 -3.149 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.310 -6.263 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.698 -4.975 -1.246 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.930 -8.485 -0.170 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.364 -4.756 -1.607 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.622 -9.333 0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.055 -5.600 -1.285 1.00 0.00 H new ATOM 0 HZ PHE A 6 0.683 -7.891 -0.413 1.00 0.00 H new ATOM 100 N LYS A 7 7.592 -5.610 -4.048 1.00 0.00 N ATOM 101 CA LYS A 7 8.761 -4.939 -4.612 1.00 0.00 C ATOM 102 C LYS A 7 8.564 -3.427 -4.665 1.00 0.00 C ATOM 103 O LYS A 7 7.485 -2.938 -4.999 1.00 0.00 O ATOM 104 CB LYS A 7 9.022 -5.465 -6.029 1.00 0.00 C ATOM 105 CG LYS A 7 9.781 -6.799 -5.961 1.00 0.00 C ATOM 106 CD LYS A 7 11.294 -6.543 -6.003 1.00 0.00 C ATOM 107 CE LYS A 7 11.762 -6.448 -7.458 1.00 0.00 C ATOM 108 NZ LYS A 7 13.180 -5.988 -7.495 1.00 0.00 N ATOM 0 H LYS A 7 6.813 -5.716 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 7 9.615 -5.151 -3.968 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.077 -5.601 -6.555 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.601 -4.736 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.519 -7.330 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.488 -7.437 -6.795 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.531 -5.620 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.823 -7.348 -5.493 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.671 -7.419 -7.945 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.129 -5.754 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.244 -5.104 -8.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.517 -5.822 -6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.770 -6.716 -7.946 1.00 0.00 H new ATOM 122 N ASN A 8 9.626 -2.692 -4.343 1.00 0.00 N ATOM 123 CA ASN A 8 9.584 -1.232 -4.361 1.00 0.00 C ATOM 124 C ASN A 8 10.400 -0.694 -5.533 1.00 0.00 C ATOM 125 O ASN A 8 10.811 -1.448 -6.414 1.00 0.00 O ATOM 126 CB ASN A 8 10.149 -0.676 -3.054 1.00 0.00 C ATOM 127 CG ASN A 8 11.604 -1.104 -2.891 1.00 0.00 C ATOM 128 OD1 ASN A 8 12.233 -1.546 -3.852 1.00 0.00 O ATOM 129 ND2 ASN A 8 12.178 -0.998 -1.724 1.00 0.00 N ATOM 0 H ASN A 8 10.526 -3.084 -4.066 1.00 0.00 H new ATOM 0 HA ASN A 8 8.546 -0.917 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.079 0.412 -3.051 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.559 -1.036 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.151 -1.282 -1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.654 -0.631 -0.929 1.00 0.00 H new ATOM 136 N PHE A 9 10.632 0.615 -5.534 1.00 0.00 N ATOM 137 CA PHE A 9 11.404 1.244 -6.600 1.00 0.00 C ATOM 138 C PHE A 9 12.899 1.107 -6.331 1.00 0.00 C ATOM 139 O PHE A 9 13.726 1.470 -7.167 1.00 0.00 O ATOM 140 CB PHE A 9 11.041 2.726 -6.701 1.00 0.00 C ATOM 141 CG PHE A 9 11.508 3.274 -8.028 1.00 0.00 C ATOM 142 CD1 PHE A 9 10.669 3.208 -9.147 1.00 0.00 C ATOM 143 CD2 PHE A 9 12.781 3.848 -8.141 1.00 0.00 C ATOM 144 CE1 PHE A 9 11.101 3.715 -10.378 1.00 0.00 C ATOM 145 CE2 PHE A 9 13.212 4.355 -9.372 1.00 0.00 C ATOM 146 CZ PHE A 9 12.373 4.289 -10.491 1.00 0.00 C ATOM 0 H PHE A 9 10.299 1.257 -4.814 1.00 0.00 H new ATOM 0 HA PHE A 9 11.166 0.744 -7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.963 2.854 -6.603 1.00 0.00 H new ATOM 0 HB3 PHE A 9 11.504 3.280 -5.884 1.00 0.00 H new ATOM 0 HD1 PHE A 9 9.688 2.765 -9.060 1.00 0.00 H new ATOM 0 HD2 PHE A 9 13.429 3.899 -7.279 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.453 3.663 -11.241 1.00 0.00 H new ATOM 0 HE2 PHE A 9 14.193 4.798 -9.459 1.00 0.00 H new ATOM 0 HZ PHE A 9 12.707 4.681 -11.441 1.00 0.00 H new ATOM 156 N LYS A 10 13.236 0.575 -5.161 1.00 0.00 N ATOM 157 CA LYS A 10 14.634 0.386 -4.789 1.00 0.00 C ATOM 158 C LYS A 10 15.066 -1.031 -5.134 1.00 0.00 C ATOM 159 O LYS A 10 16.135 -1.487 -4.731 1.00 0.00 O ATOM 160 CB LYS A 10 14.814 0.630 -3.288 1.00 0.00 C ATOM 161 CG LYS A 10 14.640 2.127 -2.983 1.00 0.00 C ATOM 162 CD LYS A 10 13.910 2.304 -1.645 1.00 0.00 C ATOM 163 CE LYS A 10 12.398 2.164 -1.857 1.00 0.00 C ATOM 164 NZ LYS A 10 11.834 3.476 -2.284 1.00 0.00 N ATOM 0 H LYS A 10 12.565 0.268 -4.457 1.00 0.00 H new ATOM 0 HA LYS A 10 15.250 1.097 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 10 14.085 0.047 -2.725 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.802 0.297 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.614 2.615 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.075 2.607 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 10 14.257 1.559 -0.929 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.138 3.282 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 10 12.194 1.405 -2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.920 1.833 -0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.808 3.383 -2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 12.017 4.188 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 12.283 3.774 -3.174 1.00 0.00 H new ATOM 178 N LYS A 11 14.216 -1.715 -5.889 1.00 0.00 N ATOM 179 CA LYS A 11 14.491 -3.084 -6.303 1.00 0.00 C ATOM 180 C LYS A 11 14.677 -3.993 -5.091 1.00 0.00 C ATOM 181 O LYS A 11 15.558 -4.852 -5.077 1.00 0.00 O ATOM 182 CB LYS A 11 15.748 -3.132 -7.180 1.00 0.00 C ATOM 183 CG LYS A 11 15.513 -2.345 -8.478 1.00 0.00 C ATOM 184 CD LYS A 11 15.831 -0.861 -8.261 1.00 0.00 C ATOM 185 CE LYS A 11 15.905 -0.154 -9.615 1.00 0.00 C ATOM 186 NZ LYS A 11 17.170 -0.534 -10.305 1.00 0.00 N ATOM 0 H LYS A 11 13.329 -1.343 -6.228 1.00 0.00 H new ATOM 0 HA LYS A 11 13.636 -3.440 -6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 11 16.596 -2.712 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.000 -4.167 -7.413 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.140 -2.746 -9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.478 -2.460 -8.799 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.063 -0.400 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.777 -0.754 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.047 -0.429 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.864 0.926 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 17.410 0.189 -11.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.938 -0.604 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.046 -1.452 -10.777 1.00 0.00 H new ATOM 200 N GLU A 12 13.835 -3.801 -4.077 1.00 0.00 N ATOM 201 CA GLU A 12 13.904 -4.614 -2.863 1.00 0.00 C ATOM 202 C GLU A 12 12.596 -5.370 -2.661 1.00 0.00 C ATOM 203 O GLU A 12 11.516 -4.810 -2.841 1.00 0.00 O ATOM 204 CB GLU A 12 14.170 -3.723 -1.649 1.00 0.00 C ATOM 205 CG GLU A 12 15.378 -2.827 -1.927 1.00 0.00 C ATOM 206 CD GLU A 12 15.760 -2.060 -0.665 1.00 0.00 C ATOM 207 OE1 GLU A 12 14.919 -1.944 0.211 1.00 0.00 O ATOM 208 OE2 GLU A 12 16.887 -1.599 -0.594 1.00 0.00 O ATOM 0 H GLU A 12 13.100 -3.093 -4.071 1.00 0.00 H new ATOM 0 HA GLU A 12 14.719 -5.330 -2.970 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.293 -3.112 -1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 12 14.355 -4.337 -0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 12 16.220 -3.432 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.146 -2.128 -2.731 1.00 0.00 H new ATOM 215 N LYS A 13 12.699 -6.644 -2.293 1.00 0.00 N ATOM 216 CA LYS A 13 11.516 -7.470 -2.078 1.00 0.00 C ATOM 217 C LYS A 13 11.258 -7.667 -0.588 1.00 0.00 C ATOM 218 O LYS A 13 12.179 -7.924 0.186 1.00 0.00 O ATOM 219 CB LYS A 13 11.704 -8.839 -2.745 1.00 0.00 C ATOM 220 CG LYS A 13 13.185 -9.237 -2.726 1.00 0.00 C ATOM 221 CD LYS A 13 13.876 -8.742 -4.002 1.00 0.00 C ATOM 222 CE LYS A 13 15.279 -9.341 -4.084 1.00 0.00 C ATOM 223 NZ LYS A 13 16.177 -8.636 -3.127 1.00 0.00 N ATOM 0 H LYS A 13 13.585 -7.125 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 13 10.660 -6.960 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.111 -9.590 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.342 -8.804 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.673 -8.812 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.278 -10.320 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.294 -9.029 -4.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.933 -7.653 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.246 -10.405 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.667 -9.249 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.132 -9.044 -3.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.217 -7.625 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.809 -8.746 -2.160 1.00 0.00 H new ATOM 237 N VAL A 14 9.991 -7.553 -0.202 1.00 0.00 N ATOM 238 CA VAL A 14 9.597 -7.730 1.192 1.00 0.00 C ATOM 239 C VAL A 14 8.597 -8.880 1.302 1.00 0.00 C ATOM 240 O VAL A 14 7.389 -8.674 1.182 1.00 0.00 O ATOM 241 CB VAL A 14 8.960 -6.443 1.723 1.00 0.00 C ATOM 242 CG1 VAL A 14 8.892 -6.495 3.250 1.00 0.00 C ATOM 243 CG2 VAL A 14 9.808 -5.243 1.294 1.00 0.00 C ATOM 0 H VAL A 14 9.220 -7.339 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 14 10.482 -7.961 1.785 1.00 0.00 H new ATOM 0 HB VAL A 14 7.953 -6.344 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.438 -5.578 3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.291 -7.350 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.899 -6.594 3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.357 -4.325 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 14 10.815 -5.345 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 14 9.857 -5.203 0.206 1.00 0.00 H new ATOM 253 N PRO A 15 9.078 -10.081 1.506 1.00 0.00 N ATOM 254 CA PRO A 15 8.209 -11.289 1.617 1.00 0.00 C ATOM 255 C PRO A 15 7.103 -11.127 2.657 1.00 0.00 C ATOM 256 O PRO A 15 7.305 -10.523 3.710 1.00 0.00 O ATOM 257 CB PRO A 15 9.174 -12.408 2.019 1.00 0.00 C ATOM 258 CG PRO A 15 10.522 -11.947 1.570 1.00 0.00 C ATOM 259 CD PRO A 15 10.503 -10.422 1.649 1.00 0.00 C ATOM 0 HA PRO A 15 7.684 -11.488 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.154 -12.576 3.096 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.903 -13.351 1.544 1.00 0.00 H new ATOM 0 HG2 PRO A 15 11.305 -12.359 2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.728 -12.281 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.907 -10.065 2.597 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.103 -9.973 0.858 1.00 0.00 H new ATOM 267 N LEU A 16 5.939 -11.684 2.345 1.00 0.00 N ATOM 268 CA LEU A 16 4.791 -11.618 3.241 1.00 0.00 C ATOM 269 C LEU A 16 3.924 -12.861 3.081 1.00 0.00 C ATOM 270 O LEU A 16 4.031 -13.580 2.091 1.00 0.00 O ATOM 271 CB LEU A 16 3.946 -10.378 2.926 1.00 0.00 C ATOM 272 CG LEU A 16 4.566 -9.138 3.572 1.00 0.00 C ATOM 273 CD1 LEU A 16 3.795 -7.892 3.115 1.00 0.00 C ATOM 274 CD2 LEU A 16 4.502 -9.248 5.103 1.00 0.00 C ATOM 0 H LEU A 16 5.765 -12.188 1.475 1.00 0.00 H new ATOM 0 HA LEU A 16 5.159 -11.560 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.878 -10.240 1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.930 -10.519 3.294 1.00 0.00 H new ATOM 0 HG LEU A 16 5.610 -9.060 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.233 -7.005 3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.852 -7.806 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.751 -7.979 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.947 -8.359 5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.462 -9.332 5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.052 -10.131 5.428 1.00 0.00 H new ATOM 286 N ASP A 17 3.054 -13.093 4.056 1.00 0.00 N ATOM 287 CA ASP A 17 2.148 -14.241 4.015 1.00 0.00 C ATOM 288 C ASP A 17 0.767 -13.826 4.500 1.00 0.00 C ATOM 289 O ASP A 17 0.630 -13.225 5.565 1.00 0.00 O ATOM 290 CB ASP A 17 2.672 -15.373 4.891 1.00 0.00 C ATOM 291 CG ASP A 17 4.118 -15.690 4.531 1.00 0.00 C ATOM 292 OD1 ASP A 17 4.954 -14.817 4.698 1.00 0.00 O ATOM 293 OD2 ASP A 17 4.371 -16.802 4.095 1.00 0.00 O ATOM 0 H ASP A 17 2.954 -12.505 4.884 1.00 0.00 H new ATOM 0 HA ASP A 17 2.086 -14.593 2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.605 -15.091 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.054 -16.261 4.759 1.00 0.00 H new ATOM 298 N LEU A 18 -0.250 -14.145 3.710 1.00 0.00 N ATOM 299 CA LEU A 18 -1.625 -13.788 4.059 1.00 0.00 C ATOM 300 C LEU A 18 -2.599 -14.903 3.702 1.00 0.00 C ATOM 301 O LEU A 18 -2.196 -16.005 3.329 1.00 0.00 O ATOM 302 CB LEU A 18 -2.036 -12.522 3.308 1.00 0.00 C ATOM 303 CG LEU A 18 -1.250 -11.312 3.839 1.00 0.00 C ATOM 304 CD1 LEU A 18 -0.406 -10.710 2.712 1.00 0.00 C ATOM 305 CD2 LEU A 18 -2.229 -10.258 4.362 1.00 0.00 C ATOM 0 H LEU A 18 -0.153 -14.647 2.828 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.660 -13.623 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.850 -12.646 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.106 -12.351 3.427 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.594 -11.634 4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.150 -9.853 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.293 -11.460 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.059 -10.389 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.673 -9.400 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.886 -9.938 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.827 -10.685 5.167 1.00 0.00 H new ATOM 317 N GLU A 19 -3.893 -14.597 3.819 1.00 0.00 N ATOM 318 CA GLU A 19 -4.939 -15.562 3.507 1.00 0.00 C ATOM 319 C GLU A 19 -5.882 -14.981 2.450 1.00 0.00 C ATOM 320 O GLU A 19 -5.967 -13.764 2.287 1.00 0.00 O ATOM 321 CB GLU A 19 -5.727 -15.905 4.783 1.00 0.00 C ATOM 322 CG GLU A 19 -5.085 -15.213 5.990 1.00 0.00 C ATOM 323 CD GLU A 19 -5.842 -15.579 7.262 1.00 0.00 C ATOM 324 OE1 GLU A 19 -5.633 -16.674 7.757 1.00 0.00 O ATOM 325 OE2 GLU A 19 -6.619 -14.759 7.723 1.00 0.00 O ATOM 0 H GLU A 19 -4.237 -13.688 4.128 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.484 -16.471 3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.764 -15.586 4.678 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.739 -16.984 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.041 -15.513 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.095 -14.132 5.849 1.00 0.00 H new ATOM 332 N PRO A 20 -6.586 -15.822 1.739 1.00 0.00 N ATOM 333 CA PRO A 20 -7.542 -15.381 0.681 1.00 0.00 C ATOM 334 C PRO A 20 -8.534 -14.349 1.202 1.00 0.00 C ATOM 335 O PRO A 20 -9.037 -13.517 0.445 1.00 0.00 O ATOM 336 CB PRO A 20 -8.275 -16.668 0.267 1.00 0.00 C ATOM 337 CG PRO A 20 -7.865 -17.731 1.241 1.00 0.00 C ATOM 338 CD PRO A 20 -6.548 -17.282 1.865 1.00 0.00 C ATOM 0 HA PRO A 20 -7.025 -14.898 -0.148 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -9.355 -16.521 0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -8.010 -16.953 -0.751 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.628 -17.867 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.745 -18.690 0.737 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -6.472 -17.592 2.907 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -5.691 -17.707 1.342 1.00 0.00 H new ATOM 346 N SER A 21 -8.819 -14.417 2.494 1.00 0.00 N ATOM 347 CA SER A 21 -9.766 -13.488 3.103 1.00 0.00 C ATOM 348 C SER A 21 -9.119 -12.133 3.348 1.00 0.00 C ATOM 349 O SER A 21 -9.795 -11.104 3.320 1.00 0.00 O ATOM 350 CB SER A 21 -10.284 -14.059 4.423 1.00 0.00 C ATOM 351 OG SER A 21 -9.259 -13.971 5.405 1.00 0.00 O ATOM 0 H SER A 21 -8.414 -15.097 3.137 1.00 0.00 H new ATOM 0 HA SER A 21 -10.600 -13.353 2.414 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.166 -13.508 4.750 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.588 -15.097 4.290 1.00 0.00 H new ATOM 0 HG SER A 21 -9.587 -14.334 6.254 1.00 0.00 H new ATOM 357 N ASN A 22 -7.812 -12.126 3.570 1.00 0.00 N ATOM 358 CA ASN A 22 -7.112 -10.877 3.793 1.00 0.00 C ATOM 359 C ASN A 22 -7.424 -9.932 2.647 1.00 0.00 C ATOM 360 O ASN A 22 -7.868 -10.365 1.583 1.00 0.00 O ATOM 361 CB ASN A 22 -5.600 -11.121 3.878 1.00 0.00 C ATOM 362 CG ASN A 22 -4.944 -10.876 2.520 1.00 0.00 C ATOM 363 OD1 ASN A 22 -4.648 -11.822 1.791 1.00 0.00 O ATOM 364 ND2 ASN A 22 -4.704 -9.651 2.136 1.00 0.00 N ATOM 0 H ASN A 22 -7.225 -12.960 3.600 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.440 -10.437 4.735 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.160 -10.461 4.626 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.408 -12.144 4.203 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.270 -9.476 1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.951 -8.869 2.743 1.00 0.00 H new ATOM 371 N THR A 23 -7.197 -8.649 2.855 1.00 0.00 N ATOM 372 CA THR A 23 -7.471 -7.681 1.808 1.00 0.00 C ATOM 373 C THR A 23 -6.463 -6.546 1.826 1.00 0.00 C ATOM 374 O THR A 23 -5.881 -6.220 2.859 1.00 0.00 O ATOM 375 CB THR A 23 -8.897 -7.134 1.947 1.00 0.00 C ATOM 376 OG1 THR A 23 -8.887 -5.723 1.774 1.00 0.00 O ATOM 377 CG2 THR A 23 -9.445 -7.477 3.330 1.00 0.00 C ATOM 0 H THR A 23 -6.830 -8.257 3.722 1.00 0.00 H new ATOM 0 HA THR A 23 -7.381 -8.191 0.849 1.00 0.00 H new ATOM 0 HB THR A 23 -9.532 -7.586 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.809 -5.511 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.458 -7.087 3.427 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.459 -8.559 3.458 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.810 -7.029 4.094 1.00 0.00 H new ATOM 385 N ILE A 24 -6.270 -5.960 0.654 1.00 0.00 N ATOM 386 CA ILE A 24 -5.340 -4.864 0.480 1.00 0.00 C ATOM 387 C ILE A 24 -5.305 -3.965 1.702 1.00 0.00 C ATOM 388 O ILE A 24 -4.246 -3.484 2.096 1.00 0.00 O ATOM 389 CB ILE A 24 -5.770 -4.050 -0.741 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.951 -4.956 -1.972 1.00 0.00 C ATOM 391 CG2 ILE A 24 -4.723 -2.991 -1.033 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.914 -6.079 -1.979 1.00 0.00 C ATOM 0 H ILE A 24 -6.755 -6.234 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.339 -5.273 0.339 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.727 -3.576 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.954 -5.382 -1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.857 -4.363 -2.882 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.027 -2.409 -1.903 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.623 -2.331 -0.172 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.766 -3.472 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.062 -6.706 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.913 -5.649 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.027 -6.684 -1.079 1.00 0.00 H new ATOM 404 N LEU A 25 -6.458 -3.743 2.300 1.00 0.00 N ATOM 405 CA LEU A 25 -6.523 -2.902 3.476 1.00 0.00 C ATOM 406 C LEU A 25 -5.544 -3.414 4.521 1.00 0.00 C ATOM 407 O LEU A 25 -4.790 -2.644 5.113 1.00 0.00 O ATOM 408 CB LEU A 25 -7.951 -2.921 4.030 1.00 0.00 C ATOM 409 CG LEU A 25 -8.060 -2.099 5.322 1.00 0.00 C ATOM 410 CD1 LEU A 25 -7.427 -2.847 6.507 1.00 0.00 C ATOM 411 CD2 LEU A 25 -7.374 -0.736 5.146 1.00 0.00 C ATOM 0 H LEU A 25 -7.352 -4.128 1.995 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.255 -1.878 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.638 -2.522 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.254 -3.950 4.225 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.118 -1.946 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.518 -2.242 7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.940 -3.797 6.654 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.373 -3.032 6.299 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.459 -0.164 6.070 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.321 -0.887 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.854 -0.189 4.335 1.00 0.00 H new ATOM 423 N GLU A 26 -5.576 -4.722 4.746 1.00 0.00 N ATOM 424 CA GLU A 26 -4.703 -5.345 5.737 1.00 0.00 C ATOM 425 C GLU A 26 -3.282 -5.554 5.218 1.00 0.00 C ATOM 426 O GLU A 26 -2.326 -5.402 5.979 1.00 0.00 O ATOM 427 CB GLU A 26 -5.281 -6.695 6.171 1.00 0.00 C ATOM 428 CG GLU A 26 -6.692 -6.498 6.728 1.00 0.00 C ATOM 429 CD GLU A 26 -7.199 -7.802 7.336 1.00 0.00 C ATOM 430 OE1 GLU A 26 -6.876 -8.847 6.797 1.00 0.00 O ATOM 431 OE2 GLU A 26 -7.903 -7.735 8.329 1.00 0.00 O ATOM 0 H GLU A 26 -6.194 -5.371 4.259 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.651 -4.662 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.307 -7.380 5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.641 -7.149 6.928 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.687 -5.712 7.484 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.363 -6.172 5.934 1.00 0.00 H new ATOM 438 N THR A 27 -3.119 -5.897 3.942 1.00 0.00 N ATOM 439 CA THR A 27 -1.778 -6.098 3.427 1.00 0.00 C ATOM 440 C THR A 27 -1.048 -4.763 3.451 1.00 0.00 C ATOM 441 O THR A 27 0.122 -4.685 3.823 1.00 0.00 O ATOM 442 CB THR A 27 -1.842 -6.710 2.018 1.00 0.00 C ATOM 443 OG1 THR A 27 -1.123 -7.935 2.008 1.00 0.00 O ATOM 444 CG2 THR A 27 -1.237 -5.765 0.989 1.00 0.00 C ATOM 0 H THR A 27 -3.874 -6.036 3.270 1.00 0.00 H new ATOM 0 HA THR A 27 -1.224 -6.802 4.048 1.00 0.00 H new ATOM 0 HB THR A 27 -2.887 -6.883 1.760 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.162 -8.330 1.112 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.294 -6.220 -0.000 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.790 -4.825 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.194 -5.572 1.241 1.00 0.00 H new ATOM 452 N LYS A 28 -1.768 -3.710 3.087 1.00 0.00 N ATOM 453 CA LYS A 28 -1.202 -2.369 3.110 1.00 0.00 C ATOM 454 C LYS A 28 -0.786 -2.009 4.533 1.00 0.00 C ATOM 455 O LYS A 28 0.272 -1.421 4.743 1.00 0.00 O ATOM 456 CB LYS A 28 -2.228 -1.356 2.610 1.00 0.00 C ATOM 457 CG LYS A 28 -2.262 -1.367 1.081 1.00 0.00 C ATOM 458 CD LYS A 28 -2.855 -0.051 0.591 1.00 0.00 C ATOM 459 CE LYS A 28 -2.952 -0.050 -0.940 1.00 0.00 C ATOM 460 NZ LYS A 28 -4.211 0.632 -1.355 1.00 0.00 N ATOM 0 H LYS A 28 -2.738 -3.758 2.775 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.329 -2.345 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.214 -1.597 3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.974 -0.359 2.970 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.256 -1.499 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.859 -2.206 0.723 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.844 0.094 1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.235 0.782 0.924 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.090 0.460 -1.370 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.938 -1.073 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.787 -0.020 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.746 0.918 -0.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.980 1.474 -1.920 1.00 0.00 H new ATOM 474 N THR A 29 -1.622 -2.369 5.512 1.00 0.00 N ATOM 475 CA THR A 29 -1.309 -2.073 6.904 1.00 0.00 C ATOM 476 C THR A 29 0.005 -2.736 7.296 1.00 0.00 C ATOM 477 O THR A 29 0.953 -2.068 7.707 1.00 0.00 O ATOM 478 CB THR A 29 -2.438 -2.576 7.814 1.00 0.00 C ATOM 479 OG1 THR A 29 -3.644 -2.645 7.072 1.00 0.00 O ATOM 480 CG2 THR A 29 -2.619 -1.616 8.988 1.00 0.00 C ATOM 0 H THR A 29 -2.505 -2.858 5.366 1.00 0.00 H new ATOM 0 HA THR A 29 -1.211 -0.994 7.021 1.00 0.00 H new ATOM 0 HB THR A 29 -2.183 -3.566 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.603 -2.016 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.421 -1.976 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.692 -1.561 9.559 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.873 -0.625 8.612 1.00 0.00 H new ATOM 488 N LYS A 30 0.054 -4.056 7.157 1.00 0.00 N ATOM 489 CA LYS A 30 1.256 -4.803 7.492 1.00 0.00 C ATOM 490 C LYS A 30 2.442 -4.275 6.691 1.00 0.00 C ATOM 491 O LYS A 30 3.440 -3.833 7.260 1.00 0.00 O ATOM 492 CB LYS A 30 1.045 -6.291 7.194 1.00 0.00 C ATOM 493 CG LYS A 30 2.387 -7.028 7.241 1.00 0.00 C ATOM 494 CD LYS A 30 3.072 -6.769 8.584 1.00 0.00 C ATOM 495 CE LYS A 30 4.172 -7.808 8.806 1.00 0.00 C ATOM 496 NZ LYS A 30 4.993 -7.419 9.988 1.00 0.00 N ATOM 0 H LYS A 30 -0.720 -4.626 6.817 1.00 0.00 H new ATOM 0 HA LYS A 30 1.465 -4.678 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.358 -6.723 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.588 -6.413 6.212 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.230 -8.098 7.102 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.026 -6.691 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.497 -5.765 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.342 -6.819 9.392 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.731 -8.792 8.964 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.803 -7.880 7.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.741 -8.126 10.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.425 -6.488 9.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.386 -7.371 10.831 1.00 0.00 H new ATOM 510 N LEU A 31 2.328 -4.329 5.367 1.00 0.00 N ATOM 511 CA LEU A 31 3.401 -3.855 4.502 1.00 0.00 C ATOM 512 C LEU A 31 3.957 -2.533 5.021 1.00 0.00 C ATOM 513 O LEU A 31 5.127 -2.215 4.809 1.00 0.00 O ATOM 514 CB LEU A 31 2.876 -3.670 3.077 1.00 0.00 C ATOM 515 CG LEU A 31 4.030 -3.297 2.140 1.00 0.00 C ATOM 516 CD1 LEU A 31 5.058 -4.434 2.095 1.00 0.00 C ATOM 517 CD2 LEU A 31 3.474 -3.054 0.733 1.00 0.00 C ATOM 0 H LEU A 31 1.512 -4.692 4.875 1.00 0.00 H new ATOM 0 HA LEU A 31 4.200 -4.596 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.400 -4.588 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.115 -2.890 3.059 1.00 0.00 H new ATOM 0 HG LEU A 31 4.517 -2.394 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.874 -4.160 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.452 -4.608 3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.580 -5.343 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.289 -2.788 0.060 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.987 -3.960 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.749 -2.241 0.764 1.00 0.00 H new ATOM 529 N ALA A 32 3.113 -1.773 5.709 1.00 0.00 N ATOM 530 CA ALA A 32 3.533 -0.491 6.264 1.00 0.00 C ATOM 531 C ALA A 32 4.291 -0.709 7.570 1.00 0.00 C ATOM 532 O ALA A 32 5.289 -0.045 7.845 1.00 0.00 O ATOM 533 CB ALA A 32 2.308 0.404 6.512 1.00 0.00 C ATOM 0 H ALA A 32 2.141 -2.019 5.895 1.00 0.00 H new ATOM 0 HA ALA A 32 4.192 0.002 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.633 1.358 6.926 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.786 0.576 5.571 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.635 -0.087 7.215 1.00 0.00 H new ATOM 539 N GLN A 33 3.804 -1.651 8.369 1.00 0.00 N ATOM 540 CA GLN A 33 4.430 -1.965 9.650 1.00 0.00 C ATOM 541 C GLN A 33 5.665 -2.834 9.444 1.00 0.00 C ATOM 542 O GLN A 33 6.486 -2.988 10.348 1.00 0.00 O ATOM 543 CB GLN A 33 3.433 -2.694 10.555 1.00 0.00 C ATOM 544 CG GLN A 33 2.151 -1.855 10.707 1.00 0.00 C ATOM 545 CD GLN A 33 2.021 -1.343 12.140 1.00 0.00 C ATOM 546 OE1 GLN A 33 2.940 -0.714 12.662 1.00 0.00 O ATOM 547 NE2 GLN A 33 0.926 -1.578 12.810 1.00 0.00 N ATOM 0 H GLN A 33 2.979 -2.211 8.154 1.00 0.00 H new ATOM 0 HA GLN A 33 4.733 -1.031 10.124 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.191 -3.669 10.133 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.880 -2.872 11.533 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.174 -1.014 10.014 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.281 -2.458 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.165 -2.100 12.376 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.832 -1.240 13.768 1.00 0.00 H new ATOM 556 N SER A 34 5.787 -3.399 8.250 1.00 0.00 N ATOM 557 CA SER A 34 6.923 -4.251 7.930 1.00 0.00 C ATOM 558 C SER A 34 8.145 -3.393 7.660 1.00 0.00 C ATOM 559 O SER A 34 9.221 -3.628 8.209 1.00 0.00 O ATOM 560 CB SER A 34 6.610 -5.105 6.701 1.00 0.00 C ATOM 561 OG SER A 34 7.800 -5.746 6.259 1.00 0.00 O ATOM 0 H SER A 34 5.116 -3.283 7.491 1.00 0.00 H new ATOM 0 HA SER A 34 7.123 -4.909 8.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.851 -5.849 6.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.202 -4.482 5.905 1.00 0.00 H new ATOM 0 HG SER A 34 7.568 -6.518 5.701 1.00 0.00 H new ATOM 567 N ILE A 35 7.964 -2.382 6.819 1.00 0.00 N ATOM 568 CA ILE A 35 9.041 -1.474 6.488 1.00 0.00 C ATOM 569 C ILE A 35 8.935 -0.225 7.353 1.00 0.00 C ATOM 570 O ILE A 35 9.844 0.603 7.380 1.00 0.00 O ATOM 571 CB ILE A 35 8.968 -1.108 5.008 1.00 0.00 C ATOM 572 CG1 ILE A 35 7.729 -0.244 4.745 1.00 0.00 C ATOM 573 CG2 ILE A 35 8.886 -2.388 4.172 1.00 0.00 C ATOM 574 CD1 ILE A 35 7.493 -0.119 3.233 1.00 0.00 C ATOM 0 H ILE A 35 7.079 -2.175 6.357 1.00 0.00 H new ATOM 0 HA ILE A 35 10.000 -1.955 6.680 1.00 0.00 H new ATOM 0 HB ILE A 35 9.860 -0.546 4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.856 -0.689 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 35 7.864 0.744 5.184 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.834 -2.129 3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.771 -2.998 4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.995 -2.949 4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.611 0.496 3.052 1.00 0.00 H new ATOM 0 HD12 ILE A 35 8.362 0.346 2.766 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.338 -1.110 2.806 1.00 0.00 H new ATOM 586 N SER A 36 7.816 -0.112 8.074 1.00 0.00 N ATOM 587 CA SER A 36 7.592 1.030 8.964 1.00 0.00 C ATOM 588 C SER A 36 6.989 2.212 8.210 1.00 0.00 C ATOM 589 O SER A 36 7.098 3.358 8.647 1.00 0.00 O ATOM 590 CB SER A 36 8.906 1.457 9.627 1.00 0.00 C ATOM 591 OG SER A 36 9.744 0.319 9.782 1.00 0.00 O ATOM 0 H SER A 36 7.056 -0.792 8.059 1.00 0.00 H new ATOM 0 HA SER A 36 6.885 0.716 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.406 2.211 9.019 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.706 1.911 10.598 1.00 0.00 H new ATOM 0 HG SER A 36 10.391 0.287 9.047 1.00 0.00 H new ATOM 597 N CYS A 37 6.341 1.926 7.089 1.00 0.00 N ATOM 598 CA CYS A 37 5.707 2.969 6.292 1.00 0.00 C ATOM 599 C CYS A 37 4.226 3.042 6.635 1.00 0.00 C ATOM 600 O CYS A 37 3.757 2.330 7.521 1.00 0.00 O ATOM 601 CB CYS A 37 5.879 2.675 4.802 1.00 0.00 C ATOM 602 SG CYS A 37 7.521 3.217 4.267 1.00 0.00 S ATOM 0 H CYS A 37 6.240 0.984 6.711 1.00 0.00 H new ATOM 0 HA CYS A 37 6.180 3.925 6.517 1.00 0.00 H new ATOM 0 HB2 CYS A 37 5.757 1.608 4.614 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.109 3.190 4.227 1.00 0.00 H new ATOM 0 HG CYS A 37 7.540 4.513 4.170 1.00 0.00 H new ATOM 608 N GLU A 38 3.493 3.900 5.935 1.00 0.00 N ATOM 609 CA GLU A 38 2.062 4.043 6.182 1.00 0.00 C ATOM 610 C GLU A 38 1.264 3.545 4.977 1.00 0.00 C ATOM 611 O GLU A 38 1.735 3.593 3.841 1.00 0.00 O ATOM 612 CB GLU A 38 1.725 5.511 6.483 1.00 0.00 C ATOM 613 CG GLU A 38 1.359 6.241 5.192 1.00 0.00 C ATOM 614 CD GLU A 38 1.371 7.748 5.422 1.00 0.00 C ATOM 615 OE1 GLU A 38 0.367 8.265 5.887 1.00 0.00 O ATOM 616 OE2 GLU A 38 2.383 8.364 5.131 1.00 0.00 O ATOM 0 H GLU A 38 3.861 4.502 5.199 1.00 0.00 H new ATOM 0 HA GLU A 38 1.790 3.439 7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.895 5.565 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.577 5.998 6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.066 5.980 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.373 5.925 4.853 1.00 0.00 H new ATOM 623 N GLU A 39 0.055 3.065 5.241 1.00 0.00 N ATOM 624 CA GLU A 39 -0.813 2.552 4.182 1.00 0.00 C ATOM 625 C GLU A 39 -1.454 3.696 3.407 1.00 0.00 C ATOM 626 O GLU A 39 -1.931 3.517 2.286 1.00 0.00 O ATOM 627 CB GLU A 39 -1.911 1.651 4.767 1.00 0.00 C ATOM 628 CG GLU A 39 -2.566 2.314 5.985 1.00 0.00 C ATOM 629 CD GLU A 39 -3.238 3.622 5.580 1.00 0.00 C ATOM 630 OE1 GLU A 39 -4.159 3.568 4.782 1.00 0.00 O ATOM 631 OE2 GLU A 39 -2.822 4.657 6.073 1.00 0.00 O ATOM 0 H GLU A 39 -0.348 3.019 6.177 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.195 1.965 3.502 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.666 1.449 4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.484 0.690 5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.302 1.640 6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.815 2.506 6.751 1.00 0.00 H new ATOM 638 N SER A 40 -1.485 4.863 4.032 1.00 0.00 N ATOM 639 CA SER A 40 -2.099 6.040 3.421 1.00 0.00 C ATOM 640 C SER A 40 -1.211 6.666 2.344 1.00 0.00 C ATOM 641 O SER A 40 -1.635 7.594 1.657 1.00 0.00 O ATOM 642 CB SER A 40 -2.407 7.083 4.496 1.00 0.00 C ATOM 643 OG SER A 40 -2.595 8.350 3.880 1.00 0.00 O ATOM 0 H SER A 40 -1.094 5.024 4.960 1.00 0.00 H new ATOM 0 HA SER A 40 -3.020 5.711 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.302 6.798 5.050 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.590 7.133 5.215 1.00 0.00 H new ATOM 0 HG SER A 40 -2.637 8.238 2.907 1.00 0.00 H new ATOM 649 N GLN A 41 0.010 6.160 2.190 1.00 0.00 N ATOM 650 CA GLN A 41 0.920 6.693 1.177 1.00 0.00 C ATOM 651 C GLN A 41 1.320 5.586 0.216 1.00 0.00 C ATOM 652 O GLN A 41 1.627 5.827 -0.950 1.00 0.00 O ATOM 653 CB GLN A 41 2.164 7.286 1.848 1.00 0.00 C ATOM 654 CG GLN A 41 3.224 6.201 2.005 1.00 0.00 C ATOM 655 CD GLN A 41 4.290 6.641 3.001 1.00 0.00 C ATOM 656 OE1 GLN A 41 5.011 5.808 3.549 1.00 0.00 O ATOM 657 NE2 GLN A 41 4.432 7.909 3.268 1.00 0.00 N ATOM 0 H GLN A 41 0.389 5.393 2.744 1.00 0.00 H new ATOM 0 HA GLN A 41 0.414 7.482 0.620 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.556 8.108 1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.903 7.698 2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.759 5.276 2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.684 5.990 1.039 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.832 8.597 2.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.143 8.214 3.933 1.00 0.00 H new ATOM 666 N ILE A 42 1.317 4.371 0.736 1.00 0.00 N ATOM 667 CA ILE A 42 1.680 3.203 -0.029 1.00 0.00 C ATOM 668 C ILE A 42 0.688 2.951 -1.160 1.00 0.00 C ATOM 669 O ILE A 42 -0.497 3.268 -1.057 1.00 0.00 O ATOM 670 CB ILE A 42 1.731 2.011 0.935 1.00 0.00 C ATOM 671 CG1 ILE A 42 3.185 1.663 1.244 1.00 0.00 C ATOM 672 CG2 ILE A 42 1.032 0.795 0.340 1.00 0.00 C ATOM 673 CD1 ILE A 42 3.228 0.773 2.481 1.00 0.00 C ATOM 0 H ILE A 42 1.061 4.172 1.703 1.00 0.00 H new ATOM 0 HA ILE A 42 2.653 3.352 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 42 1.214 2.291 1.853 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.638 1.151 0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.762 2.572 1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.083 -0.035 1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.012 1.037 0.140 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.524 0.512 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.263 0.519 2.710 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.789 1.303 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.663 -0.140 2.292 1.00 0.00 H new ATOM 685 N LYS A 43 1.197 2.359 -2.232 1.00 0.00 N ATOM 686 CA LYS A 43 0.386 2.029 -3.399 1.00 0.00 C ATOM 687 C LYS A 43 0.775 0.647 -3.911 1.00 0.00 C ATOM 688 O LYS A 43 1.922 0.425 -4.295 1.00 0.00 O ATOM 689 CB LYS A 43 0.607 3.065 -4.503 1.00 0.00 C ATOM 690 CG LYS A 43 0.439 4.479 -3.929 1.00 0.00 C ATOM 691 CD LYS A 43 -0.168 5.396 -4.992 1.00 0.00 C ATOM 692 CE LYS A 43 0.009 6.857 -4.571 1.00 0.00 C ATOM 693 NZ LYS A 43 -0.460 7.750 -5.668 1.00 0.00 N ATOM 0 H LYS A 43 2.178 2.095 -2.319 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.666 2.033 -3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.604 2.951 -4.927 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.104 2.904 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.203 4.451 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.405 4.869 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.314 5.223 -5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.226 5.170 -5.121 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.556 7.055 -3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.057 7.058 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.340 8.743 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.097 7.567 -6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.465 7.564 -5.861 1.00 0.00 H new ATOM 707 N LEU A 44 -0.175 -0.286 -3.898 1.00 0.00 N ATOM 708 CA LEU A 44 0.101 -1.649 -4.351 1.00 0.00 C ATOM 709 C LEU A 44 -0.297 -1.833 -5.809 1.00 0.00 C ATOM 710 O LEU A 44 -1.474 -1.754 -6.163 1.00 0.00 O ATOM 711 CB LEU A 44 -0.650 -2.652 -3.473 1.00 0.00 C ATOM 712 CG LEU A 44 0.154 -2.916 -2.197 1.00 0.00 C ATOM 713 CD1 LEU A 44 0.555 -1.590 -1.556 1.00 0.00 C ATOM 714 CD2 LEU A 44 -0.701 -3.702 -1.209 1.00 0.00 C ATOM 0 H LEU A 44 -1.132 -0.127 -3.583 1.00 0.00 H new ATOM 0 HA LEU A 44 1.173 -1.826 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.636 -2.263 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.805 -3.584 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 44 1.047 -3.486 -2.451 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.127 -1.783 -0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.165 -1.018 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.341 -1.021 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.128 -3.890 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.594 -3.127 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.993 -4.652 -1.656 1.00 0.00 H new ATOM 726 N ILE A 45 0.706 -2.062 -6.649 1.00 0.00 N ATOM 727 CA ILE A 45 0.493 -2.239 -8.075 1.00 0.00 C ATOM 728 C ILE A 45 0.473 -3.717 -8.438 1.00 0.00 C ATOM 729 O ILE A 45 1.408 -4.458 -8.132 1.00 0.00 O ATOM 730 CB ILE A 45 1.631 -1.569 -8.852 1.00 0.00 C ATOM 731 CG1 ILE A 45 1.732 -0.053 -8.562 1.00 0.00 C ATOM 732 CG2 ILE A 45 1.405 -1.776 -10.350 1.00 0.00 C ATOM 733 CD1 ILE A 45 0.892 0.367 -7.359 1.00 0.00 C ATOM 0 H ILE A 45 1.682 -2.129 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.465 -1.788 -8.333 1.00 0.00 H new ATOM 0 HB ILE A 45 2.565 -2.030 -8.529 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.774 0.211 -8.384 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.408 0.505 -9.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.212 -1.301 -10.909 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.389 -2.843 -10.572 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.453 -1.331 -10.639 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.998 1.440 -7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.155 0.130 -7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.233 -0.168 -6.473 1.00 0.00 H new ATOM 745 N TYR A 46 -0.592 -4.128 -9.114 1.00 0.00 N ATOM 746 CA TYR A 46 -0.731 -5.509 -9.551 1.00 0.00 C ATOM 747 C TYR A 46 -0.687 -5.552 -11.070 1.00 0.00 C ATOM 748 O TYR A 46 -1.627 -5.127 -11.742 1.00 0.00 O ATOM 749 CB TYR A 46 -2.058 -6.086 -9.055 1.00 0.00 C ATOM 750 CG TYR A 46 -2.133 -7.560 -9.386 1.00 0.00 C ATOM 751 CD1 TYR A 46 -1.377 -8.486 -8.654 1.00 0.00 C ATOM 752 CD2 TYR A 46 -2.967 -8.001 -10.421 1.00 0.00 C ATOM 753 CE1 TYR A 46 -1.456 -9.850 -8.959 1.00 0.00 C ATOM 754 CE2 TYR A 46 -3.046 -9.366 -10.724 1.00 0.00 C ATOM 755 CZ TYR A 46 -2.290 -10.290 -9.994 1.00 0.00 C ATOM 756 OH TYR A 46 -2.367 -11.635 -10.293 1.00 0.00 O ATOM 0 H TYR A 46 -1.372 -3.523 -9.371 1.00 0.00 H new ATOM 0 HA TYR A 46 0.084 -6.105 -9.140 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.148 -5.941 -7.978 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.891 -5.557 -9.519 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.734 -8.147 -7.855 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.549 -7.288 -10.986 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.873 -10.564 -8.395 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.691 -9.706 -11.521 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.992 -11.770 -11.036 1.00 0.00 H new ATOM 766 N SER A 47 0.414 -6.055 -11.604 1.00 0.00 N ATOM 767 CA SER A 47 0.581 -6.137 -13.047 1.00 0.00 C ATOM 768 C SER A 47 0.423 -4.763 -13.689 1.00 0.00 C ATOM 769 O SER A 47 -0.109 -4.644 -14.794 1.00 0.00 O ATOM 770 CB SER A 47 -0.440 -7.107 -13.641 1.00 0.00 C ATOM 771 OG SER A 47 -0.200 -8.411 -13.131 1.00 0.00 O ATOM 0 H SER A 47 1.202 -6.411 -11.064 1.00 0.00 H new ATOM 0 HA SER A 47 1.587 -6.503 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.451 -6.787 -13.391 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.366 -7.110 -14.728 1.00 0.00 H new ATOM 0 HG SER A 47 -0.854 -9.035 -13.509 1.00 0.00 H new ATOM 777 N GLY A 48 0.897 -3.726 -13.002 1.00 0.00 N ATOM 778 CA GLY A 48 0.805 -2.372 -13.535 1.00 0.00 C ATOM 779 C GLY A 48 -0.572 -1.773 -13.279 1.00 0.00 C ATOM 780 O GLY A 48 -1.049 -0.946 -14.056 1.00 0.00 O ATOM 0 H GLY A 48 1.343 -3.796 -12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.569 -1.745 -13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.005 -2.385 -14.606 1.00 0.00 H new ATOM 784 N LYS A 49 -1.211 -2.194 -12.190 1.00 0.00 N ATOM 785 CA LYS A 49 -2.542 -1.683 -11.858 1.00 0.00 C ATOM 786 C LYS A 49 -2.628 -1.327 -10.379 1.00 0.00 C ATOM 787 O LYS A 49 -2.392 -2.165 -9.514 1.00 0.00 O ATOM 788 CB LYS A 49 -3.605 -2.732 -12.194 1.00 0.00 C ATOM 789 CG LYS A 49 -5.008 -2.183 -11.879 1.00 0.00 C ATOM 790 CD LYS A 49 -5.330 -0.951 -12.742 1.00 0.00 C ATOM 791 CE LYS A 49 -5.036 -1.239 -14.218 1.00 0.00 C ATOM 792 NZ LYS A 49 -5.821 -0.302 -15.069 1.00 0.00 N ATOM 0 H LYS A 49 -0.838 -2.877 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.720 -0.783 -12.447 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -3.540 -3.002 -13.248 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.424 -3.641 -11.620 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.753 -2.959 -12.056 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.069 -1.917 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.378 -0.678 -12.620 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.738 -0.100 -12.406 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.971 -1.124 -14.418 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.295 -2.270 -14.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.623 -0.495 -16.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.836 -0.433 -14.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.552 0.678 -14.846 1.00 0.00 H new ATOM 806 N VAL A 50 -2.972 -0.078 -10.097 1.00 0.00 N ATOM 807 CA VAL A 50 -3.086 0.373 -8.716 1.00 0.00 C ATOM 808 C VAL A 50 -4.229 -0.352 -8.006 1.00 0.00 C ATOM 809 O VAL A 50 -5.393 0.021 -8.150 1.00 0.00 O ATOM 810 CB VAL A 50 -3.335 1.882 -8.678 1.00 0.00 C ATOM 811 CG1 VAL A 50 -3.393 2.354 -7.225 1.00 0.00 C ATOM 812 CG2 VAL A 50 -2.198 2.604 -9.403 1.00 0.00 C ATOM 0 H VAL A 50 -3.175 0.635 -10.798 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.152 0.146 -8.202 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.281 2.106 -9.170 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.570 3.429 -7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.203 1.840 -6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.447 2.130 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.374 3.679 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.252 2.379 -8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.156 2.269 -10.439 1.00 0.00 H new ATOM 822 N LEU A 51 -3.892 -1.389 -7.241 1.00 0.00 N ATOM 823 CA LEU A 51 -4.900 -2.154 -6.519 1.00 0.00 C ATOM 824 C LEU A 51 -5.816 -1.231 -5.726 1.00 0.00 C ATOM 825 O LEU A 51 -5.559 -0.033 -5.603 1.00 0.00 O ATOM 826 CB LEU A 51 -4.222 -3.136 -5.559 1.00 0.00 C ATOM 827 CG LEU A 51 -3.745 -4.379 -6.324 1.00 0.00 C ATOM 828 CD1 LEU A 51 -2.557 -5.009 -5.586 1.00 0.00 C ATOM 829 CD2 LEU A 51 -4.887 -5.397 -6.415 1.00 0.00 C ATOM 0 H LEU A 51 -2.935 -1.715 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.496 -2.702 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.376 -2.653 -5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.919 -3.428 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.438 -4.089 -7.329 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.218 -5.891 -6.129 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.743 -4.287 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.865 -5.297 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.546 -6.278 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.197 -5.687 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.731 -4.951 -6.941 1.00 0.00 H new ATOM 841 N GLN A 52 -6.885 -1.807 -5.190 1.00 0.00 N ATOM 842 CA GLN A 52 -7.850 -1.046 -4.398 1.00 0.00 C ATOM 843 C GLN A 52 -7.842 -1.522 -2.947 1.00 0.00 C ATOM 844 O GLN A 52 -7.389 -2.628 -2.646 1.00 0.00 O ATOM 845 CB GLN A 52 -9.261 -1.199 -4.987 1.00 0.00 C ATOM 846 CG GLN A 52 -9.163 -1.691 -6.431 1.00 0.00 C ATOM 847 CD GLN A 52 -10.535 -1.635 -7.095 1.00 0.00 C ATOM 848 OE1 GLN A 52 -10.636 -1.701 -8.320 1.00 0.00 O ATOM 849 NE2 GLN A 52 -11.604 -1.517 -6.355 1.00 0.00 N ATOM 0 H GLN A 52 -7.108 -2.798 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.565 0.006 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.841 -1.904 -4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -9.786 -0.244 -4.952 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.456 -1.075 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -8.781 -2.712 -6.451 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.518 -1.462 -5.340 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -12.525 -1.479 -6.792 1.00 0.00 H new ATOM 858 N ASP A 53 -8.333 -0.673 -2.055 1.00 0.00 N ATOM 859 CA ASP A 53 -8.375 -0.994 -0.632 1.00 0.00 C ATOM 860 C ASP A 53 -9.571 -1.877 -0.286 1.00 0.00 C ATOM 861 O ASP A 53 -9.660 -2.403 0.824 1.00 0.00 O ATOM 862 CB ASP A 53 -8.476 0.299 0.169 1.00 0.00 C ATOM 863 CG ASP A 53 -7.206 1.125 -0.007 1.00 0.00 C ATOM 864 OD1 ASP A 53 -6.180 0.715 0.509 1.00 0.00 O ATOM 865 OD2 ASP A 53 -7.278 2.156 -0.655 1.00 0.00 O ATOM 0 H ASP A 53 -8.709 0.245 -2.291 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.463 -1.538 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.341 0.874 -0.161 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.628 0.071 1.224 1.00 0.00 H new ATOM 870 N SER A 54 -10.507 -2.003 -1.219 1.00 0.00 N ATOM 871 CA SER A 54 -11.718 -2.789 -0.976 1.00 0.00 C ATOM 872 C SER A 54 -11.674 -4.168 -1.636 1.00 0.00 C ATOM 873 O SER A 54 -12.704 -4.837 -1.724 1.00 0.00 O ATOM 874 CB SER A 54 -12.934 -2.024 -1.497 1.00 0.00 C ATOM 875 OG SER A 54 -12.848 -0.667 -1.084 1.00 0.00 O ATOM 0 H SER A 54 -10.455 -1.577 -2.144 1.00 0.00 H new ATOM 0 HA SER A 54 -11.787 -2.945 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.976 -2.083 -2.585 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.851 -2.474 -1.117 1.00 0.00 H new ATOM 0 HG SER A 54 -13.626 -0.173 -1.418 1.00 0.00 H new ATOM 881 N LYS A 55 -10.504 -4.601 -2.103 1.00 0.00 N ATOM 882 CA LYS A 55 -10.404 -5.909 -2.748 1.00 0.00 C ATOM 883 C LYS A 55 -9.629 -6.893 -1.882 1.00 0.00 C ATOM 884 O LYS A 55 -8.700 -6.513 -1.170 1.00 0.00 O ATOM 885 CB LYS A 55 -9.712 -5.769 -4.104 1.00 0.00 C ATOM 886 CG LYS A 55 -10.634 -5.018 -5.068 1.00 0.00 C ATOM 887 CD LYS A 55 -10.059 -5.076 -6.491 1.00 0.00 C ATOM 888 CE LYS A 55 -10.496 -6.373 -7.178 1.00 0.00 C ATOM 889 NZ LYS A 55 -11.984 -6.451 -7.194 1.00 0.00 N ATOM 0 H LYS A 55 -9.630 -4.079 -2.049 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.414 -6.294 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.770 -5.232 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.471 -6.753 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.630 -5.459 -5.051 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.739 -3.981 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.402 -4.216 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.971 -5.022 -6.455 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.109 -6.406 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.082 -7.233 -6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.303 -6.801 -8.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.306 -7.101 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.383 -5.506 -7.025 1.00 0.00 H new ATOM 903 N THR A 56 -10.008 -8.167 -1.959 1.00 0.00 N ATOM 904 CA THR A 56 -9.329 -9.201 -1.192 1.00 0.00 C ATOM 905 C THR A 56 -8.376 -9.982 -2.080 1.00 0.00 C ATOM 906 O THR A 56 -8.600 -10.110 -3.282 1.00 0.00 O ATOM 907 CB THR A 56 -10.329 -10.191 -0.592 1.00 0.00 C ATOM 908 OG1 THR A 56 -11.185 -10.685 -1.613 1.00 0.00 O ATOM 909 CG2 THR A 56 -11.158 -9.501 0.485 1.00 0.00 C ATOM 0 H THR A 56 -10.776 -8.503 -2.541 1.00 0.00 H new ATOM 0 HA THR A 56 -8.782 -8.700 -0.393 1.00 0.00 H new ATOM 0 HB THR A 56 -9.784 -11.023 -0.145 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.823 -11.320 -1.226 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.868 -10.211 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.499 -9.134 1.272 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.700 -8.664 0.046 1.00 0.00 H new ATOM 917 N VAL A 57 -7.295 -10.470 -1.490 1.00 0.00 N ATOM 918 CA VAL A 57 -6.291 -11.199 -2.263 1.00 0.00 C ATOM 919 C VAL A 57 -6.978 -12.125 -3.260 1.00 0.00 C ATOM 920 O VAL A 57 -6.565 -12.228 -4.416 1.00 0.00 O ATOM 921 CB VAL A 57 -5.374 -12.007 -1.326 1.00 0.00 C ATOM 922 CG1 VAL A 57 -5.017 -13.359 -1.957 1.00 0.00 C ATOM 923 CG2 VAL A 57 -4.085 -11.218 -1.074 1.00 0.00 C ATOM 0 H VAL A 57 -7.089 -10.379 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.678 -10.482 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.899 -12.181 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.369 -13.916 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.929 -13.929 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.500 -13.194 -2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.434 -11.787 -0.411 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.575 -11.043 -2.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.328 -10.262 -0.610 1.00 0.00 H new ATOM 933 N SER A 58 -8.032 -12.788 -2.807 1.00 0.00 N ATOM 934 CA SER A 58 -8.776 -13.694 -3.666 1.00 0.00 C ATOM 935 C SER A 58 -9.345 -12.928 -4.850 1.00 0.00 C ATOM 936 O SER A 58 -9.439 -13.451 -5.961 1.00 0.00 O ATOM 937 CB SER A 58 -9.910 -14.332 -2.872 1.00 0.00 C ATOM 938 OG SER A 58 -10.426 -15.442 -3.595 1.00 0.00 O ATOM 0 H SER A 58 -8.389 -12.716 -1.854 1.00 0.00 H new ATOM 0 HA SER A 58 -8.109 -14.474 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.548 -14.656 -1.896 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.699 -13.602 -2.693 1.00 0.00 H new ATOM 0 HG SER A 58 -11.154 -15.854 -3.085 1.00 0.00 H new ATOM 944 N GLU A 59 -9.715 -11.677 -4.600 1.00 0.00 N ATOM 945 CA GLU A 59 -10.266 -10.825 -5.642 1.00 0.00 C ATOM 946 C GLU A 59 -9.139 -10.174 -6.432 1.00 0.00 C ATOM 947 O GLU A 59 -9.260 -9.946 -7.636 1.00 0.00 O ATOM 948 CB GLU A 59 -11.146 -9.745 -5.013 1.00 0.00 C ATOM 949 CG GLU A 59 -12.463 -10.367 -4.546 1.00 0.00 C ATOM 950 CD GLU A 59 -13.372 -9.290 -3.964 1.00 0.00 C ATOM 951 OE1 GLU A 59 -12.870 -8.220 -3.662 1.00 0.00 O ATOM 952 OE2 GLU A 59 -14.556 -9.551 -3.832 1.00 0.00 O ATOM 0 H GLU A 59 -9.643 -11.232 -3.685 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.868 -11.433 -6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.630 -9.286 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.342 -8.954 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.959 -10.860 -5.383 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.267 -11.133 -3.796 1.00 0.00 H new ATOM 959 N CYS A 60 -8.039 -9.880 -5.744 1.00 0.00 N ATOM 960 CA CYS A 60 -6.890 -9.259 -6.389 1.00 0.00 C ATOM 961 C CYS A 60 -6.283 -10.202 -7.424 1.00 0.00 C ATOM 962 O CYS A 60 -5.706 -9.761 -8.417 1.00 0.00 O ATOM 963 CB CYS A 60 -5.841 -8.898 -5.337 1.00 0.00 C ATOM 964 SG CYS A 60 -6.670 -8.230 -3.875 1.00 0.00 S ATOM 0 H CYS A 60 -7.921 -10.061 -4.747 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.221 -8.353 -6.897 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.259 -9.780 -5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.142 -8.165 -5.740 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.911 -8.616 -3.865 1.00 0.00 H new ATOM 970 N GLY A 61 -6.426 -11.503 -7.186 1.00 0.00 N ATOM 971 CA GLY A 61 -5.896 -12.505 -8.108 1.00 0.00 C ATOM 972 C GLY A 61 -4.566 -13.067 -7.612 1.00 0.00 C ATOM 973 O GLY A 61 -3.959 -13.910 -8.271 1.00 0.00 O ATOM 0 H GLY A 61 -6.901 -11.887 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.616 -13.315 -8.221 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.760 -12.060 -9.094 1.00 0.00 H new ATOM 977 N LEU A 62 -4.117 -12.596 -6.452 1.00 0.00 N ATOM 978 CA LEU A 62 -2.859 -13.065 -5.893 1.00 0.00 C ATOM 979 C LEU A 62 -2.969 -14.519 -5.470 1.00 0.00 C ATOM 980 O LEU A 62 -4.025 -14.976 -5.032 1.00 0.00 O ATOM 981 CB LEU A 62 -2.473 -12.212 -4.685 1.00 0.00 C ATOM 982 CG LEU A 62 -2.001 -10.840 -5.156 1.00 0.00 C ATOM 983 CD1 LEU A 62 -2.172 -9.823 -4.028 1.00 0.00 C ATOM 984 CD2 LEU A 62 -0.526 -10.915 -5.561 1.00 0.00 C ATOM 0 H LEU A 62 -4.601 -11.898 -5.888 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.091 -12.979 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.327 -12.104 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.683 -12.704 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.596 -10.529 -6.015 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.834 -8.844 -4.367 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.223 -9.766 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.581 -10.133 -3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.191 -9.934 -5.897 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.071 -11.229 -4.705 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.407 -11.636 -6.370 1.00 0.00 H new ATOM 996 N LYS A 63 -1.863 -15.236 -5.599 1.00 0.00 N ATOM 997 CA LYS A 63 -1.824 -16.642 -5.226 1.00 0.00 C ATOM 998 C LYS A 63 -0.644 -16.915 -4.299 1.00 0.00 C ATOM 999 O LYS A 63 -0.064 -15.991 -3.729 1.00 0.00 O ATOM 1000 CB LYS A 63 -1.739 -17.515 -6.482 1.00 0.00 C ATOM 1001 CG LYS A 63 -0.517 -17.123 -7.320 1.00 0.00 C ATOM 1002 CD LYS A 63 0.751 -17.744 -6.720 1.00 0.00 C ATOM 1003 CE LYS A 63 1.783 -18.000 -7.826 1.00 0.00 C ATOM 1004 NZ LYS A 63 3.156 -17.889 -7.256 1.00 0.00 N ATOM 0 H LYS A 63 -0.982 -14.868 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.741 -16.890 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.673 -18.566 -6.199 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.647 -17.401 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.647 -17.462 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.420 -16.038 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.171 -17.078 -5.966 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.505 -18.679 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.634 -18.991 -8.255 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.653 -17.280 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.790 -18.551 -7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.506 -16.918 -7.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.131 -18.120 -6.242 1.00 0.00 H new ATOM 1018 N ASP A 64 -0.305 -18.185 -4.143 1.00 0.00 N ATOM 1019 CA ASP A 64 0.796 -18.578 -3.271 1.00 0.00 C ATOM 1020 C ASP A 64 2.146 -18.356 -3.943 1.00 0.00 C ATOM 1021 O ASP A 64 2.426 -18.913 -5.004 1.00 0.00 O ATOM 1022 CB ASP A 64 0.654 -20.052 -2.889 1.00 0.00 C ATOM 1023 CG ASP A 64 0.889 -20.931 -4.112 1.00 0.00 C ATOM 1024 OD1 ASP A 64 0.212 -20.724 -5.106 1.00 0.00 O ATOM 1025 OD2 ASP A 64 1.742 -21.799 -4.039 1.00 0.00 O ATOM 0 H ASP A 64 -0.775 -18.962 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 64 0.753 -17.956 -2.377 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.370 -20.304 -2.106 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.341 -20.237 -2.483 1.00 0.00 H new ATOM 1030 N GLY A 65 2.985 -17.556 -3.297 1.00 0.00 N ATOM 1031 CA GLY A 65 4.323 -17.280 -3.819 1.00 0.00 C ATOM 1032 C GLY A 65 4.319 -16.198 -4.901 1.00 0.00 C ATOM 1033 O GLY A 65 5.357 -15.918 -5.501 1.00 0.00 O ATOM 0 H GLY A 65 2.768 -17.089 -2.417 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.971 -16.968 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.746 -18.197 -4.229 1.00 0.00 H new ATOM 1037 N ASP A 66 3.164 -15.588 -5.154 1.00 0.00 N ATOM 1038 CA ASP A 66 3.084 -14.543 -6.176 1.00 0.00 C ATOM 1039 C ASP A 66 3.916 -13.329 -5.761 1.00 0.00 C ATOM 1040 O ASP A 66 4.717 -13.401 -4.828 1.00 0.00 O ATOM 1041 CB ASP A 66 1.619 -14.123 -6.400 1.00 0.00 C ATOM 1042 CG ASP A 66 1.289 -14.106 -7.892 1.00 0.00 C ATOM 1043 OD1 ASP A 66 1.765 -14.978 -8.598 1.00 0.00 O ATOM 1044 OD2 ASP A 66 0.564 -13.216 -8.306 1.00 0.00 O ATOM 0 H ASP A 66 2.286 -15.792 -4.677 1.00 0.00 H new ATOM 0 HA ASP A 66 3.483 -14.942 -7.109 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.953 -14.814 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.448 -13.135 -5.973 1.00 0.00 H new ATOM 1049 N GLN A 67 3.717 -12.213 -6.455 1.00 0.00 N ATOM 1050 CA GLN A 67 4.450 -10.990 -6.149 1.00 0.00 C ATOM 1051 C GLN A 67 3.561 -9.773 -6.377 1.00 0.00 C ATOM 1052 O GLN A 67 2.792 -9.727 -7.337 1.00 0.00 O ATOM 1053 CB GLN A 67 5.700 -10.897 -7.026 1.00 0.00 C ATOM 1054 CG GLN A 67 5.302 -10.534 -8.458 1.00 0.00 C ATOM 1055 CD GLN A 67 6.464 -10.805 -9.407 1.00 0.00 C ATOM 1056 OE1 GLN A 67 6.813 -11.961 -9.647 1.00 0.00 O ATOM 1057 NE2 GLN A 67 7.087 -9.803 -9.963 1.00 0.00 N ATOM 0 H GLN A 67 3.058 -12.130 -7.229 1.00 0.00 H new ATOM 0 HA GLN A 67 4.752 -11.013 -5.102 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.381 -10.145 -6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 67 6.234 -11.847 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 67 4.431 -11.116 -8.761 1.00 0.00 H new ATOM 0 HG3 GLN A 67 5.017 -9.483 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 67 6.795 -8.846 -9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 67 7.866 -9.976 -10.599 1.00 0.00 H new ATOM 1066 N VAL A 68 3.661 -8.794 -5.482 1.00 0.00 N ATOM 1067 CA VAL A 68 2.850 -7.585 -5.589 1.00 0.00 C ATOM 1068 C VAL A 68 3.731 -6.346 -5.694 1.00 0.00 C ATOM 1069 O VAL A 68 4.355 -5.933 -4.719 1.00 0.00 O ATOM 1070 CB VAL A 68 1.941 -7.456 -4.358 1.00 0.00 C ATOM 1071 CG1 VAL A 68 0.585 -6.875 -4.770 1.00 0.00 C ATOM 1072 CG2 VAL A 68 1.736 -8.835 -3.722 1.00 0.00 C ATOM 0 H VAL A 68 4.291 -8.813 -4.680 1.00 0.00 H new ATOM 0 HA VAL A 68 2.243 -7.662 -6.491 1.00 0.00 H new ATOM 0 HB VAL A 68 2.412 -6.790 -3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.055 -6.786 -3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.731 -5.890 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.113 -7.535 -5.498 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.091 -8.741 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.271 -9.504 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.700 -9.243 -3.418 1.00 0.00 H new ATOM 1082 N VAL A 69 3.756 -5.733 -6.868 1.00 0.00 N ATOM 1083 CA VAL A 69 4.541 -4.529 -7.054 1.00 0.00 C ATOM 1084 C VAL A 69 3.917 -3.415 -6.232 1.00 0.00 C ATOM 1085 O VAL A 69 2.704 -3.387 -6.043 1.00 0.00 O ATOM 1086 CB VAL A 69 4.566 -4.137 -8.532 1.00 0.00 C ATOM 1087 CG1 VAL A 69 5.415 -2.877 -8.711 1.00 0.00 C ATOM 1088 CG2 VAL A 69 5.170 -5.279 -9.351 1.00 0.00 C ATOM 0 H VAL A 69 3.248 -6.047 -7.695 1.00 0.00 H new ATOM 0 HA VAL A 69 5.567 -4.703 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 69 3.550 -3.942 -8.874 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.433 -2.597 -9.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.986 -2.063 -8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 69 6.432 -3.072 -8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.188 -5.001 -10.405 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.187 -5.474 -9.009 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.566 -6.177 -9.223 1.00 0.00 H new ATOM 1098 N PHE A 70 4.742 -2.515 -5.724 1.00 0.00 N ATOM 1099 CA PHE A 70 4.234 -1.420 -4.904 1.00 0.00 C ATOM 1100 C PHE A 70 5.239 -0.273 -4.818 1.00 0.00 C ATOM 1101 O PHE A 70 6.373 -0.389 -5.279 1.00 0.00 O ATOM 1102 CB PHE A 70 3.912 -1.933 -3.497 1.00 0.00 C ATOM 1103 CG PHE A 70 5.149 -1.896 -2.633 1.00 0.00 C ATOM 1104 CD1 PHE A 70 6.113 -2.903 -2.745 1.00 0.00 C ATOM 1105 CD2 PHE A 70 5.328 -0.852 -1.720 1.00 0.00 C ATOM 1106 CE1 PHE A 70 7.258 -2.866 -1.941 1.00 0.00 C ATOM 1107 CE2 PHE A 70 6.472 -0.813 -0.916 1.00 0.00 C ATOM 1108 CZ PHE A 70 7.437 -1.820 -1.027 1.00 0.00 C ATOM 0 H PHE A 70 5.753 -2.516 -5.860 1.00 0.00 H new ATOM 0 HA PHE A 70 3.327 -1.039 -5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.129 -1.321 -3.049 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.529 -2.952 -3.552 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.974 -3.708 -3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.582 -0.075 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.003 -3.643 -2.025 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.610 -0.007 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.321 -1.791 -0.407 1.00 0.00 H new ATOM 1118 N MET A 71 4.804 0.833 -4.216 1.00 0.00 N ATOM 1119 CA MET A 71 5.662 2.005 -4.062 1.00 0.00 C ATOM 1120 C MET A 71 5.158 2.888 -2.921 1.00 0.00 C ATOM 1121 O MET A 71 3.952 3.004 -2.704 1.00 0.00 O ATOM 1122 CB MET A 71 5.681 2.819 -5.360 1.00 0.00 C ATOM 1123 CG MET A 71 6.425 2.043 -6.450 1.00 0.00 C ATOM 1124 SD MET A 71 6.862 3.169 -7.797 1.00 0.00 S ATOM 1125 CE MET A 71 5.289 3.078 -8.687 1.00 0.00 C ATOM 0 H MET A 71 3.867 0.941 -3.829 1.00 0.00 H new ATOM 0 HA MET A 71 6.671 1.663 -3.832 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.661 3.029 -5.683 1.00 0.00 H new ATOM 0 HB3 MET A 71 6.166 3.780 -5.190 1.00 0.00 H new ATOM 0 HG2 MET A 71 7.324 1.586 -6.037 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.800 1.233 -6.826 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.335 3.711 -9.573 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.100 2.047 -8.986 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.483 3.421 -8.038 1.00 0.00 H new ATOM 1135 N VAL A 72 6.086 3.510 -2.196 1.00 0.00 N ATOM 1136 CA VAL A 72 5.719 4.382 -1.081 1.00 0.00 C ATOM 1137 C VAL A 72 5.732 5.843 -1.517 1.00 0.00 C ATOM 1138 O VAL A 72 6.698 6.312 -2.121 1.00 0.00 O ATOM 1139 CB VAL A 72 6.692 4.187 0.084 1.00 0.00 C ATOM 1140 CG1 VAL A 72 6.125 4.854 1.340 1.00 0.00 C ATOM 1141 CG2 VAL A 72 6.878 2.690 0.344 1.00 0.00 C ATOM 0 H VAL A 72 7.090 3.428 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 72 4.712 4.118 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 72 7.653 4.638 -0.165 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.818 4.715 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.988 5.920 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.165 4.403 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.571 2.548 1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.916 2.242 0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.280 2.213 -0.550 1.00 0.00 H new ATOM 1151 N SER A 73 4.654 6.558 -1.207 1.00 0.00 N ATOM 1152 CA SER A 73 4.548 7.967 -1.572 1.00 0.00 C ATOM 1153 C SER A 73 4.981 8.856 -0.411 1.00 0.00 C ATOM 1154 O SER A 73 5.507 8.371 0.592 1.00 0.00 O ATOM 1155 CB SER A 73 3.106 8.299 -1.957 1.00 0.00 C ATOM 1156 OG SER A 73 3.000 9.693 -2.221 1.00 0.00 O ATOM 0 H SER A 73 3.846 6.187 -0.707 1.00 0.00 H new ATOM 0 HA SER A 73 5.204 8.152 -2.422 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.811 7.727 -2.837 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.428 8.017 -1.151 1.00 0.00 H new ATOM 0 HG SER A 73 2.077 9.910 -2.470 1.00 0.00 H new