USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 548 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 CYS SG : rot 180:sc= 0.136 USER MOD Set 1.2: A 66 TYR OH : rot -39:sc= -1.09! USER MOD Set 2.1: A 4 THR OG1 : rot -114:sc= 0.407! USER MOD Set 2.2: A 46 THR OG1 : rot -170:sc= -2.69! USER MOD Set 3.1: A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 2 THR OG1 : rot 180:sc= -0.0136 USER MOD Single : A 3 GLN : amide:sc= -2.72! X(o=-2.7!,f=-2.5) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.53 USER MOD Single : A 12 MET CE :methyl 141:sc= -0.42 (180deg=-2.23!) USER MOD Single : A 13 THR OG1 : rot -24:sc= 0.207! USER MOD Single : A 14 CYS SG : rot 180:sc= -1.21! USER MOD Single : A 20 THR OG1 : rot 108:sc= 0.617 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -54:sc= 0.33 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0848) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 66:sc= 0.00751 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 111:sc= -1.07 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -95:sc= -6.66! USER MOD Single : A 68 SER OG : rot 137:sc= -5.41! USER MOD Single : A 69 SER OG : rot -131:sc= -3.71! USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.292 (180deg=-0.646) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 17.973 2.860 -0.103 1.00 0.00 N ATOM 2 CA ALA A 1 16.964 1.807 -0.418 1.00 0.00 C ATOM 3 C ALA A 1 16.008 1.623 0.760 1.00 0.00 C ATOM 4 O ALA A 1 15.802 0.529 1.238 1.00 0.00 O ATOM 5 CB ALA A 1 17.776 0.534 -0.649 1.00 0.00 C ATOM 0 H1 ALA A 1 18.617 2.976 -0.911 1.00 0.00 H new ATOM 0 H2 ALA A 1 17.488 3.760 0.085 1.00 0.00 H new ATOM 0 H3 ALA A 1 18.518 2.578 0.737 1.00 0.00 H new ATOM 0 HA ALA A 1 16.356 2.066 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 1 17.102 -0.289 -0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 1 18.467 0.688 -1.478 1.00 0.00 H new ATOM 0 HB3 ALA A 1 18.339 0.293 0.253 1.00 0.00 H new ATOM 13 N THR A 2 15.423 2.690 1.222 1.00 0.00 N ATOM 14 CA THR A 2 14.482 2.621 2.351 1.00 0.00 C ATOM 15 C THR A 2 13.621 3.876 2.326 1.00 0.00 C ATOM 16 O THR A 2 13.986 4.901 2.868 1.00 0.00 O ATOM 17 CB THR A 2 15.350 2.620 3.591 1.00 0.00 C ATOM 18 OG1 THR A 2 16.644 3.115 3.270 1.00 0.00 O ATOM 19 CG2 THR A 2 15.462 1.203 4.144 1.00 0.00 C ATOM 0 H THR A 2 15.568 3.628 0.848 1.00 0.00 H new ATOM 0 HA THR A 2 13.832 1.747 2.315 1.00 0.00 H new ATOM 0 HB THR A 2 14.896 3.262 4.346 1.00 0.00 H new ATOM 0 HG1 THR A 2 17.203 3.115 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 2 16.088 1.209 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 2 14.469 0.833 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 2 15.909 0.553 3.392 1.00 0.00 H new ATOM 27 N GLN A 3 12.503 3.823 1.676 1.00 0.00 N ATOM 28 CA GLN A 3 11.649 5.047 1.596 1.00 0.00 C ATOM 29 C GLN A 3 10.209 4.772 2.031 1.00 0.00 C ATOM 30 O GLN A 3 9.763 3.643 2.094 1.00 0.00 O ATOM 31 CB GLN A 3 11.686 5.466 0.123 1.00 0.00 C ATOM 32 CG GLN A 3 11.361 4.268 -0.767 1.00 0.00 C ATOM 33 CD GLN A 3 12.566 3.953 -1.655 1.00 0.00 C ATOM 34 OE1 GLN A 3 13.690 3.945 -1.195 1.00 0.00 O ATOM 35 NE2 GLN A 3 12.377 3.690 -2.919 1.00 0.00 N ATOM 0 H GLN A 3 12.138 2.999 1.198 1.00 0.00 H new ATOM 0 HA GLN A 3 12.020 5.824 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.968 6.267 -0.054 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.671 5.859 -0.127 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.111 3.402 -0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.488 4.485 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.433 3.697 -3.306 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.173 3.478 -3.520 1.00 0.00 H new ATOM 44 N THR A 4 9.482 5.817 2.322 1.00 0.00 N ATOM 45 CA THR A 4 8.064 5.664 2.747 1.00 0.00 C ATOM 46 C THR A 4 7.162 6.518 1.853 1.00 0.00 C ATOM 47 O THR A 4 7.449 7.666 1.579 1.00 0.00 O ATOM 48 CB THR A 4 8.026 6.175 4.186 1.00 0.00 C ATOM 49 OG1 THR A 4 9.099 5.599 4.918 1.00 0.00 O ATOM 50 CG2 THR A 4 6.692 5.791 4.832 1.00 0.00 C ATOM 0 H THR A 4 9.816 6.780 2.282 1.00 0.00 H new ATOM 0 HA THR A 4 7.714 4.634 2.672 1.00 0.00 H new ATOM 0 HB THR A 4 8.126 7.260 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.741 5.000 5.606 1.00 0.00 H new ATOM 0 HG21 THR A 4 6.666 6.156 5.859 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.873 6.237 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.586 4.706 4.830 1.00 0.00 H new ATOM 58 N VAL A 5 6.078 5.963 1.391 1.00 0.00 N ATOM 59 CA VAL A 5 5.157 6.732 0.508 1.00 0.00 C ATOM 60 C VAL A 5 3.710 6.506 0.931 1.00 0.00 C ATOM 61 O VAL A 5 3.406 5.640 1.723 1.00 0.00 O ATOM 62 CB VAL A 5 5.399 6.167 -0.891 1.00 0.00 C ATOM 63 CG1 VAL A 5 6.747 6.665 -1.416 1.00 0.00 C ATOM 64 CG2 VAL A 5 5.416 4.639 -0.830 1.00 0.00 C ATOM 0 H VAL A 5 5.788 5.005 1.588 1.00 0.00 H new ATOM 0 HA VAL A 5 5.336 7.806 0.555 1.00 0.00 H new ATOM 0 HB VAL A 5 4.601 6.497 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.920 6.262 -2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.740 7.754 -1.460 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.542 6.334 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.589 4.237 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.213 4.310 -0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.458 4.279 -0.455 1.00 0.00 H new ATOM 74 N THR A 6 2.817 7.273 0.388 1.00 0.00 N ATOM 75 CA THR A 6 1.383 7.108 0.726 1.00 0.00 C ATOM 76 C THR A 6 0.684 6.507 -0.483 1.00 0.00 C ATOM 77 O THR A 6 1.211 6.528 -1.576 1.00 0.00 O ATOM 78 CB THR A 6 0.862 8.518 1.017 1.00 0.00 C ATOM 79 OG1 THR A 6 -0.441 8.438 1.585 1.00 0.00 O ATOM 80 CG2 THR A 6 0.805 9.318 -0.285 1.00 0.00 C ATOM 0 H THR A 6 3.020 8.015 -0.282 1.00 0.00 H new ATOM 0 HA THR A 6 1.211 6.454 1.581 1.00 0.00 H new ATOM 0 HB THR A 6 1.531 9.014 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.772 9.341 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 6 0.434 10.322 -0.079 1.00 0.00 H new ATOM 0 HG22 THR A 6 1.804 9.381 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.136 8.821 -0.988 1.00 0.00 H new ATOM 88 N LEU A 7 -0.475 5.951 -0.312 1.00 0.00 N ATOM 89 CA LEU A 7 -1.144 5.334 -1.482 1.00 0.00 C ATOM 90 C LEU A 7 -2.611 5.736 -1.562 1.00 0.00 C ATOM 91 O LEU A 7 -3.244 6.056 -0.576 1.00 0.00 O ATOM 92 CB LEU A 7 -1.017 3.826 -1.252 1.00 0.00 C ATOM 93 CG LEU A 7 -0.026 3.242 -2.255 1.00 0.00 C ATOM 94 CD1 LEU A 7 1.255 4.053 -2.213 1.00 0.00 C ATOM 95 CD2 LEU A 7 0.286 1.786 -1.900 1.00 0.00 C ATOM 0 H LEU A 7 -0.982 5.896 0.571 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.691 5.656 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.680 3.629 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.990 3.347 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.461 3.279 -3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.969 3.642 -2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.038 5.089 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.680 4.011 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.994 1.379 -2.622 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.720 1.740 -0.901 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.633 1.201 -1.924 1.00 0.00 H new ATOM 107 N ALA A 8 -3.148 5.701 -2.742 1.00 0.00 N ATOM 108 CA ALA A 8 -4.585 6.055 -2.932 1.00 0.00 C ATOM 109 C ALA A 8 -5.317 4.866 -3.559 1.00 0.00 C ATOM 110 O ALA A 8 -5.226 4.629 -4.746 1.00 0.00 O ATOM 111 CB ALA A 8 -4.585 7.251 -3.885 1.00 0.00 C ATOM 0 H ALA A 8 -2.653 5.440 -3.595 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.087 6.295 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.611 7.568 -4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.027 8.073 -3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.116 6.966 -4.827 1.00 0.00 H new ATOM 117 N VAL A 9 -6.021 4.101 -2.769 1.00 0.00 N ATOM 118 CA VAL A 9 -6.731 2.909 -3.329 1.00 0.00 C ATOM 119 C VAL A 9 -8.256 3.092 -3.291 1.00 0.00 C ATOM 120 O VAL A 9 -8.898 2.707 -2.335 1.00 0.00 O ATOM 121 CB VAL A 9 -6.314 1.752 -2.423 1.00 0.00 C ATOM 122 CG1 VAL A 9 -6.757 2.045 -0.988 1.00 0.00 C ATOM 123 CG2 VAL A 9 -6.977 0.462 -2.906 1.00 0.00 C ATOM 0 H VAL A 9 -6.137 4.246 -1.766 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.473 2.742 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.230 1.638 -2.454 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.460 1.220 -0.340 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.286 2.965 -0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.841 2.158 -0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.680 -0.364 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.061 0.576 -2.874 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.664 0.253 -3.929 1.00 0.00 H new ATOM 133 N PRO A 10 -8.793 3.661 -4.345 1.00 0.00 N ATOM 134 CA PRO A 10 -10.257 3.880 -4.439 1.00 0.00 C ATOM 135 C PRO A 10 -10.997 2.545 -4.578 1.00 0.00 C ATOM 136 O PRO A 10 -12.210 2.491 -4.540 1.00 0.00 O ATOM 137 CB PRO A 10 -10.390 4.705 -5.722 1.00 0.00 C ATOM 138 CG PRO A 10 -9.010 4.785 -6.402 1.00 0.00 C ATOM 139 CD PRO A 10 -7.972 4.118 -5.490 1.00 0.00 C ATOM 0 HA PRO A 10 -10.681 4.367 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.116 4.246 -6.393 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.757 5.705 -5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.037 4.287 -7.371 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.739 5.825 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.471 3.287 -5.986 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.197 4.818 -5.179 1.00 0.00 H new ATOM 147 N GLY A 11 -10.278 1.470 -4.750 1.00 0.00 N ATOM 148 CA GLY A 11 -10.942 0.143 -4.903 1.00 0.00 C ATOM 149 C GLY A 11 -11.460 -0.344 -3.547 1.00 0.00 C ATOM 150 O GLY A 11 -12.030 -1.412 -3.440 1.00 0.00 O ATOM 0 H GLY A 11 -9.259 1.452 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -11.768 0.220 -5.610 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.237 -0.580 -5.313 1.00 0.00 H new ATOM 154 N MET A 12 -11.269 0.426 -2.511 1.00 0.00 N ATOM 155 CA MET A 12 -11.756 -0.002 -1.168 1.00 0.00 C ATOM 156 C MET A 12 -13.165 0.546 -0.923 1.00 0.00 C ATOM 157 O MET A 12 -13.702 1.272 -1.736 1.00 0.00 O ATOM 158 CB MET A 12 -10.759 0.598 -0.178 1.00 0.00 C ATOM 159 CG MET A 12 -10.893 2.120 -0.179 1.00 0.00 C ATOM 160 SD MET A 12 -11.533 2.669 1.422 1.00 0.00 S ATOM 161 CE MET A 12 -12.955 3.595 0.794 1.00 0.00 C ATOM 0 H MET A 12 -10.798 1.331 -2.535 1.00 0.00 H new ATOM 0 HA MET A 12 -11.818 -1.086 -1.071 1.00 0.00 H new ATOM 0 HB2 MET A 12 -10.944 0.207 0.822 1.00 0.00 H new ATOM 0 HB3 MET A 12 -9.743 0.312 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.925 2.581 -0.373 1.00 0.00 H new ATOM 0 HG3 MET A 12 -11.563 2.436 -0.979 1.00 0.00 H new ATOM 0 HE1 MET A 12 -13.810 3.440 1.453 1.00 0.00 H new ATOM 0 HE2 MET A 12 -12.711 4.657 0.759 1.00 0.00 H new ATOM 0 HE3 MET A 12 -13.202 3.247 -0.209 1.00 0.00 H new ATOM 171 N THR A 13 -13.771 0.208 0.186 1.00 0.00 N ATOM 172 CA THR A 13 -15.150 0.723 0.455 1.00 0.00 C ATOM 173 C THR A 13 -15.742 0.240 1.801 1.00 0.00 C ATOM 174 O THR A 13 -16.777 0.726 2.213 1.00 0.00 O ATOM 175 CB THR A 13 -15.992 0.185 -0.703 1.00 0.00 C ATOM 176 OG1 THR A 13 -17.365 0.452 -0.452 1.00 0.00 O ATOM 177 CG2 THR A 13 -15.779 -1.324 -0.836 1.00 0.00 C ATOM 0 H THR A 13 -13.378 -0.394 0.909 1.00 0.00 H new ATOM 0 HA THR A 13 -15.138 1.811 0.528 1.00 0.00 H new ATOM 0 HB THR A 13 -15.690 0.674 -1.629 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.506 0.560 0.512 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.380 -1.705 -1.662 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.726 -1.527 -1.030 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.079 -1.817 0.089 1.00 0.00 H new ATOM 185 N CYS A 14 -15.138 -0.696 2.498 1.00 0.00 N ATOM 186 CA CYS A 14 -15.755 -1.136 3.789 1.00 0.00 C ATOM 187 C CYS A 14 -14.746 -1.907 4.649 1.00 0.00 C ATOM 188 O CYS A 14 -13.555 -1.761 4.507 1.00 0.00 O ATOM 189 CB CYS A 14 -16.948 -2.020 3.377 1.00 0.00 C ATOM 190 SG CYS A 14 -16.459 -3.765 3.226 1.00 0.00 S ATOM 0 H CYS A 14 -14.269 -1.162 2.238 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.074 -0.293 4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.744 -1.926 4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.351 -1.670 2.427 1.00 0.00 H new ATOM 0 HG CYS A 14 -17.491 -4.476 2.880 1.00 0.00 H new ATOM 195 N ALA A 15 -15.216 -2.729 5.543 1.00 0.00 N ATOM 196 CA ALA A 15 -14.275 -3.504 6.400 1.00 0.00 C ATOM 197 C ALA A 15 -13.824 -4.775 5.672 1.00 0.00 C ATOM 198 O ALA A 15 -14.045 -5.876 6.137 1.00 0.00 O ATOM 199 CB ALA A 15 -15.080 -3.861 7.650 1.00 0.00 C ATOM 0 H ALA A 15 -16.206 -2.898 5.718 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.375 -2.939 6.642 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.455 -4.435 8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.412 -2.947 8.142 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.948 -4.456 7.366 1.00 0.00 H new ATOM 205 N ALA A 16 -13.195 -4.636 4.534 1.00 0.00 N ATOM 206 CA ALA A 16 -12.739 -5.844 3.789 1.00 0.00 C ATOM 207 C ALA A 16 -11.817 -5.459 2.624 1.00 0.00 C ATOM 208 O ALA A 16 -10.845 -6.133 2.354 1.00 0.00 O ATOM 209 CB ALA A 16 -14.022 -6.492 3.267 1.00 0.00 C ATOM 0 H ALA A 16 -12.979 -3.743 4.091 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.164 -6.518 4.424 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.772 -7.392 2.705 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.664 -6.756 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.545 -5.791 2.616 1.00 0.00 H new ATOM 215 N CYS A 17 -12.112 -4.398 1.916 1.00 0.00 N ATOM 216 CA CYS A 17 -11.234 -4.017 0.762 1.00 0.00 C ATOM 217 C CYS A 17 -10.156 -2.994 1.171 1.00 0.00 C ATOM 218 O CYS A 17 -9.006 -3.157 0.813 1.00 0.00 O ATOM 219 CB CYS A 17 -12.168 -3.438 -0.311 1.00 0.00 C ATOM 220 SG CYS A 17 -13.662 -4.454 -0.441 1.00 0.00 S ATOM 0 H CYS A 17 -12.910 -3.785 2.081 1.00 0.00 H new ATOM 0 HA CYS A 17 -10.689 -4.885 0.391 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -12.436 -2.412 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -11.655 -3.405 -1.272 1.00 0.00 H new ATOM 0 HG CYS A 17 -14.447 -3.956 -1.350 1.00 0.00 H new ATOM 225 N PRO A 18 -10.539 -1.972 1.903 1.00 0.00 N ATOM 226 CA PRO A 18 -9.559 -0.941 2.341 1.00 0.00 C ATOM 227 C PRO A 18 -8.491 -1.582 3.230 1.00 0.00 C ATOM 228 O PRO A 18 -7.314 -1.517 2.953 1.00 0.00 O ATOM 229 CB PRO A 18 -10.438 0.014 3.145 1.00 0.00 C ATOM 230 CG PRO A 18 -11.901 -0.336 2.867 1.00 0.00 C ATOM 231 CD PRO A 18 -11.939 -1.778 2.341 1.00 0.00 C ATOM 0 HA PRO A 18 -9.022 -0.454 1.527 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.221 -0.075 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.234 1.047 2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.497 -0.243 3.775 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.327 0.350 2.135 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.228 -2.489 3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.645 -1.896 1.519 1.00 0.00 H new ATOM 239 N ILE A 19 -8.906 -2.192 4.303 1.00 0.00 N ATOM 240 CA ILE A 19 -7.938 -2.858 5.230 1.00 0.00 C ATOM 241 C ILE A 19 -7.058 -3.870 4.467 1.00 0.00 C ATOM 242 O ILE A 19 -5.929 -4.121 4.842 1.00 0.00 O ATOM 243 CB ILE A 19 -8.823 -3.589 6.254 1.00 0.00 C ATOM 244 CG1 ILE A 19 -9.185 -2.638 7.396 1.00 0.00 C ATOM 245 CG2 ILE A 19 -8.083 -4.801 6.835 1.00 0.00 C ATOM 246 CD1 ILE A 19 -10.708 -2.528 7.505 1.00 0.00 C ATOM 0 H ILE A 19 -9.884 -2.261 4.584 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.260 -2.144 5.697 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.727 -3.927 5.748 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.768 -3.004 8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.751 -1.655 7.216 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -8.724 -5.306 7.558 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -7.828 -5.491 6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -7.171 -4.467 7.330 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -10.967 -1.850 8.319 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.113 -2.143 6.569 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.131 -3.513 7.705 1.00 0.00 H new ATOM 258 N THR A 20 -7.560 -4.458 3.409 1.00 0.00 N ATOM 259 CA THR A 20 -6.738 -5.449 2.657 1.00 0.00 C ATOM 260 C THR A 20 -5.537 -4.745 2.062 1.00 0.00 C ATOM 261 O THR A 20 -4.494 -5.328 1.845 1.00 0.00 O ATOM 262 CB THR A 20 -7.640 -5.972 1.542 1.00 0.00 C ATOM 263 OG1 THR A 20 -8.652 -6.798 2.099 1.00 0.00 O ATOM 264 CG2 THR A 20 -6.800 -6.788 0.558 1.00 0.00 C ATOM 0 H THR A 20 -8.496 -4.295 3.038 1.00 0.00 H new ATOM 0 HA THR A 20 -6.379 -6.258 3.293 1.00 0.00 H new ATOM 0 HB THR A 20 -8.104 -5.134 1.022 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.512 -6.329 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.439 -7.164 -0.241 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.021 -6.155 0.132 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.340 -7.627 1.081 1.00 0.00 H new ATOM 272 N VAL A 21 -5.681 -3.483 1.809 1.00 0.00 N ATOM 273 CA VAL A 21 -4.563 -2.716 1.242 1.00 0.00 C ATOM 274 C VAL A 21 -3.464 -2.636 2.285 1.00 0.00 C ATOM 275 O VAL A 21 -2.296 -2.590 1.968 1.00 0.00 O ATOM 276 CB VAL A 21 -5.132 -1.328 0.940 1.00 0.00 C ATOM 277 CG1 VAL A 21 -3.997 -0.387 0.529 1.00 0.00 C ATOM 278 CG2 VAL A 21 -6.149 -1.430 -0.199 1.00 0.00 C ATOM 0 H VAL A 21 -6.535 -2.950 1.974 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.144 -3.166 0.342 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.622 -0.936 1.831 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.404 0.601 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.274 -0.313 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.504 -0.778 -0.361 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.555 -0.441 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.659 -1.823 -1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.959 -2.098 0.095 1.00 0.00 H new ATOM 288 N LYS A 22 -3.836 -2.645 3.538 1.00 0.00 N ATOM 289 CA LYS A 22 -2.813 -2.588 4.606 1.00 0.00 C ATOM 290 C LYS A 22 -2.067 -3.910 4.634 1.00 0.00 C ATOM 291 O LYS A 22 -0.854 -3.961 4.723 1.00 0.00 O ATOM 292 CB LYS A 22 -3.592 -2.384 5.909 1.00 0.00 C ATOM 293 CG LYS A 22 -2.731 -2.803 7.105 1.00 0.00 C ATOM 294 CD LYS A 22 -2.693 -1.668 8.132 1.00 0.00 C ATOM 295 CE LYS A 22 -1.575 -1.931 9.146 1.00 0.00 C ATOM 296 NZ LYS A 22 -1.917 -1.087 10.325 1.00 0.00 N ATOM 0 H LYS A 22 -4.803 -2.689 3.861 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.085 -1.791 4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.883 -1.338 6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.511 -2.970 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.138 -3.706 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.720 -3.041 6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.526 -0.715 7.630 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.652 -1.595 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.528 -2.986 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.601 -1.662 8.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.196 -1.213 11.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.948 -0.088 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.846 -1.370 10.697 1.00 0.00 H new ATOM 310 N LYS A 23 -2.793 -4.985 4.555 1.00 0.00 N ATOM 311 CA LYS A 23 -2.140 -6.309 4.576 1.00 0.00 C ATOM 312 C LYS A 23 -1.350 -6.518 3.289 1.00 0.00 C ATOM 313 O LYS A 23 -0.423 -7.299 3.235 1.00 0.00 O ATOM 314 CB LYS A 23 -3.280 -7.321 4.689 1.00 0.00 C ATOM 315 CG LYS A 23 -2.715 -8.683 5.092 1.00 0.00 C ATOM 316 CD LYS A 23 -2.183 -9.400 3.851 1.00 0.00 C ATOM 317 CE LYS A 23 -2.911 -10.735 3.681 1.00 0.00 C ATOM 318 NZ LYS A 23 -3.720 -10.577 2.441 1.00 0.00 N ATOM 0 H LYS A 23 -3.810 -5.000 4.477 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.435 -6.412 5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.007 -6.984 5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.805 -7.401 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.916 -8.556 5.822 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.490 -9.284 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.330 -8.778 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.110 -9.568 3.947 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.205 -11.561 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.545 -10.951 4.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.249 -11.453 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.387 -9.788 2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.089 -10.379 1.638 1.00 0.00 H new ATOM 332 N ALA A 24 -1.715 -5.820 2.257 1.00 0.00 N ATOM 333 CA ALA A 24 -1.002 -5.960 0.964 1.00 0.00 C ATOM 334 C ALA A 24 0.397 -5.342 1.054 1.00 0.00 C ATOM 335 O ALA A 24 1.379 -5.953 0.681 1.00 0.00 O ATOM 336 CB ALA A 24 -1.866 -5.203 -0.045 1.00 0.00 C ATOM 0 H ALA A 24 -2.485 -5.151 2.254 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.863 -7.003 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.406 -5.258 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.859 -5.651 -0.082 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.950 -4.159 0.258 1.00 0.00 H new ATOM 342 N LEU A 25 0.498 -4.138 1.551 1.00 0.00 N ATOM 343 CA LEU A 25 1.841 -3.494 1.666 1.00 0.00 C ATOM 344 C LEU A 25 2.727 -4.319 2.594 1.00 0.00 C ATOM 345 O LEU A 25 3.892 -4.541 2.330 1.00 0.00 O ATOM 346 CB LEU A 25 1.591 -2.119 2.284 1.00 0.00 C ATOM 347 CG LEU A 25 0.460 -1.406 1.552 1.00 0.00 C ATOM 348 CD1 LEU A 25 -0.530 -0.886 2.589 1.00 0.00 C ATOM 349 CD2 LEU A 25 1.028 -0.232 0.751 1.00 0.00 C ATOM 0 H LEU A 25 -0.286 -3.575 1.881 1.00 0.00 H new ATOM 0 HA LEU A 25 2.339 -3.419 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.339 -2.228 3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.500 -1.520 2.234 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.038 -2.093 0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.348 -0.372 2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.927 -1.722 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.023 -0.192 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.218 0.277 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.519 0.467 1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.752 -0.603 0.025 1.00 0.00 H new ATOM 361 N SER A 26 2.176 -4.778 3.681 1.00 0.00 N ATOM 362 CA SER A 26 2.976 -5.594 4.633 1.00 0.00 C ATOM 363 C SER A 26 3.268 -6.953 4.007 1.00 0.00 C ATOM 364 O SER A 26 4.184 -7.648 4.401 1.00 0.00 O ATOM 365 CB SER A 26 2.095 -5.748 5.871 1.00 0.00 C ATOM 366 OG SER A 26 1.265 -6.893 5.717 1.00 0.00 O ATOM 0 H SER A 26 1.205 -4.623 3.952 1.00 0.00 H new ATOM 0 HA SER A 26 3.933 -5.134 4.882 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.714 -5.851 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.483 -4.857 6.009 1.00 0.00 H new ATOM 0 HG SER A 26 0.763 -6.823 4.878 1.00 0.00 H new ATOM 372 N LYS A 27 2.496 -7.334 3.027 1.00 0.00 N ATOM 373 CA LYS A 27 2.728 -8.641 2.369 1.00 0.00 C ATOM 374 C LYS A 27 3.614 -8.448 1.137 1.00 0.00 C ATOM 375 O LYS A 27 4.051 -9.398 0.517 1.00 0.00 O ATOM 376 CB LYS A 27 1.328 -9.138 1.983 1.00 0.00 C ATOM 377 CG LYS A 27 1.390 -9.962 0.696 1.00 0.00 C ATOM 378 CD LYS A 27 1.381 -9.016 -0.506 1.00 0.00 C ATOM 379 CE LYS A 27 0.307 -9.463 -1.501 1.00 0.00 C ATOM 380 NZ LYS A 27 1.009 -10.380 -2.444 1.00 0.00 N ATOM 0 H LYS A 27 1.715 -6.793 2.656 1.00 0.00 H new ATOM 0 HA LYS A 27 3.241 -9.358 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.915 -9.743 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.659 -8.289 1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.291 -10.575 0.685 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.541 -10.643 0.645 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.185 -7.995 -0.177 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.359 -9.013 -0.987 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.513 -9.971 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.123 -8.610 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.336 -10.727 -3.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.780 -9.867 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.402 -11.186 -1.917 1.00 0.00 H new ATOM 394 N VAL A 28 3.877 -7.226 0.779 1.00 0.00 N ATOM 395 CA VAL A 28 4.730 -6.966 -0.410 1.00 0.00 C ATOM 396 C VAL A 28 6.040 -7.750 -0.291 1.00 0.00 C ATOM 397 O VAL A 28 6.220 -8.769 -0.923 1.00 0.00 O ATOM 398 CB VAL A 28 4.981 -5.455 -0.382 1.00 0.00 C ATOM 399 CG1 VAL A 28 6.255 -5.121 -1.163 1.00 0.00 C ATOM 400 CG2 VAL A 28 3.793 -4.736 -1.025 1.00 0.00 C ATOM 0 H VAL A 28 3.537 -6.393 1.260 1.00 0.00 H new ATOM 0 HA VAL A 28 4.265 -7.278 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 28 5.099 -5.130 0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.426 -4.045 -1.138 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.104 -5.634 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.144 -5.447 -2.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.966 -3.660 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.681 -5.069 -2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.884 -4.966 -0.469 1.00 0.00 H new ATOM 410 N GLU A 29 6.947 -7.276 0.519 1.00 0.00 N ATOM 411 CA GLU A 29 8.254 -7.973 0.699 1.00 0.00 C ATOM 412 C GLU A 29 9.226 -7.063 1.448 1.00 0.00 C ATOM 413 O GLU A 29 9.439 -7.202 2.636 1.00 0.00 O ATOM 414 CB GLU A 29 8.771 -8.236 -0.713 1.00 0.00 C ATOM 415 CG GLU A 29 8.565 -9.706 -1.055 1.00 0.00 C ATOM 416 CD GLU A 29 9.908 -10.437 -1.031 1.00 0.00 C ATOM 417 OE1 GLU A 29 10.891 -9.841 -1.440 1.00 0.00 O ATOM 418 OE2 GLU A 29 9.931 -11.579 -0.604 1.00 0.00 O ATOM 0 H GLU A 29 6.837 -6.425 1.071 1.00 0.00 H new ATOM 0 HA GLU A 29 8.152 -8.894 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.244 -7.606 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.828 -7.979 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.879 -10.162 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.108 -9.799 -2.040 1.00 0.00 H new ATOM 425 N GLY A 30 9.819 -6.133 0.754 1.00 0.00 N ATOM 426 CA GLY A 30 10.782 -5.210 1.413 1.00 0.00 C ATOM 427 C GLY A 30 10.042 -4.308 2.401 1.00 0.00 C ATOM 428 O GLY A 30 10.648 -3.582 3.164 1.00 0.00 O ATOM 0 H GLY A 30 9.678 -5.972 -0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.550 -5.782 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.290 -4.604 0.663 1.00 0.00 H new ATOM 432 N VAL A 31 8.739 -4.351 2.401 1.00 0.00 N ATOM 433 CA VAL A 31 7.971 -3.494 3.350 1.00 0.00 C ATOM 434 C VAL A 31 8.542 -3.636 4.756 1.00 0.00 C ATOM 435 O VAL A 31 8.670 -4.721 5.289 1.00 0.00 O ATOM 436 CB VAL A 31 6.535 -4.009 3.292 1.00 0.00 C ATOM 437 CG1 VAL A 31 6.446 -5.368 3.986 1.00 0.00 C ATOM 438 CG2 VAL A 31 5.613 -3.013 3.998 1.00 0.00 C ATOM 0 H VAL A 31 8.174 -4.939 1.789 1.00 0.00 H new ATOM 0 HA VAL A 31 8.025 -2.437 3.089 1.00 0.00 H new ATOM 0 HB VAL A 31 6.230 -4.117 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.420 -5.732 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.104 -6.077 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.751 -5.265 5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.586 -3.377 3.959 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.921 -2.906 5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.674 -2.045 3.501 1.00 0.00 H new ATOM 448 N SER A 32 8.880 -2.537 5.359 1.00 0.00 N ATOM 449 CA SER A 32 9.440 -2.579 6.736 1.00 0.00 C ATOM 450 C SER A 32 8.418 -2.014 7.712 1.00 0.00 C ATOM 451 O SER A 32 8.520 -2.183 8.911 1.00 0.00 O ATOM 452 CB SER A 32 10.691 -1.702 6.690 1.00 0.00 C ATOM 453 OG SER A 32 10.716 -0.860 7.835 1.00 0.00 O ATOM 0 H SER A 32 8.793 -1.604 4.956 1.00 0.00 H new ATOM 0 HA SER A 32 9.679 -3.591 7.063 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.585 -2.325 6.663 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.694 -1.100 5.781 1.00 0.00 H new ATOM 0 HG SER A 32 11.518 -0.297 7.810 1.00 0.00 H new ATOM 459 N LYS A 33 7.424 -1.349 7.200 1.00 0.00 N ATOM 460 CA LYS A 33 6.377 -0.774 8.092 1.00 0.00 C ATOM 461 C LYS A 33 5.128 -0.444 7.270 1.00 0.00 C ATOM 462 O LYS A 33 5.184 -0.323 6.064 1.00 0.00 O ATOM 463 CB LYS A 33 7.023 0.485 8.694 1.00 0.00 C ATOM 464 CG LYS A 33 5.967 1.570 8.936 1.00 0.00 C ATOM 465 CD LYS A 33 6.506 2.595 9.936 1.00 0.00 C ATOM 466 CE LYS A 33 6.559 3.975 9.275 1.00 0.00 C ATOM 467 NZ LYS A 33 5.368 4.698 9.800 1.00 0.00 N ATOM 0 H LYS A 33 7.289 -1.177 6.204 1.00 0.00 H new ATOM 0 HA LYS A 33 6.053 -1.458 8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.516 0.234 9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.793 0.863 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.714 2.061 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.050 1.121 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.868 2.627 10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.501 2.303 10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.481 4.498 9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.525 3.894 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.335 5.654 9.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.505 4.180 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.432 4.766 10.836 1.00 0.00 H new ATOM 481 N VAL A 34 4.000 -0.305 7.910 1.00 0.00 N ATOM 482 CA VAL A 34 2.757 0.009 7.154 1.00 0.00 C ATOM 483 C VAL A 34 1.799 0.830 8.020 1.00 0.00 C ATOM 484 O VAL A 34 1.769 0.703 9.228 1.00 0.00 O ATOM 485 CB VAL A 34 2.146 -1.351 6.813 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.845 -1.146 6.036 1.00 0.00 C ATOM 487 CG2 VAL A 34 3.129 -2.149 5.953 1.00 0.00 C ATOM 0 H VAL A 34 3.886 -0.395 8.920 1.00 0.00 H new ATOM 0 HA VAL A 34 2.957 0.601 6.261 1.00 0.00 H new ATOM 0 HB VAL A 34 1.938 -1.896 7.734 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.410 -2.115 5.793 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.144 -0.576 6.645 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.053 -0.601 5.115 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.695 -3.119 5.709 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.335 -1.602 5.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.058 -2.296 6.504 1.00 0.00 H new ATOM 497 N ASP A 35 1.014 1.670 7.405 1.00 0.00 N ATOM 498 CA ASP A 35 0.049 2.505 8.170 1.00 0.00 C ATOM 499 C ASP A 35 -0.925 3.135 7.181 1.00 0.00 C ATOM 500 O ASP A 35 -0.671 4.185 6.629 1.00 0.00 O ATOM 501 CB ASP A 35 0.899 3.574 8.859 1.00 0.00 C ATOM 502 CG ASP A 35 0.004 4.444 9.744 1.00 0.00 C ATOM 503 OD1 ASP A 35 -0.981 3.928 10.246 1.00 0.00 O ATOM 504 OD2 ASP A 35 0.319 5.612 9.905 1.00 0.00 O ATOM 0 H ASP A 35 1.000 1.814 6.395 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.530 1.940 8.900 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.677 3.104 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.402 4.191 8.114 1.00 0.00 H new ATOM 509 N VAL A 36 -2.024 2.484 6.926 1.00 0.00 N ATOM 510 CA VAL A 36 -2.992 3.029 5.935 1.00 0.00 C ATOM 511 C VAL A 36 -4.250 3.555 6.619 1.00 0.00 C ATOM 512 O VAL A 36 -4.256 3.889 7.787 1.00 0.00 O ATOM 513 CB VAL A 36 -3.349 1.834 5.043 1.00 0.00 C ATOM 514 CG1 VAL A 36 -2.077 1.065 4.676 1.00 0.00 C ATOM 515 CG2 VAL A 36 -4.307 0.901 5.788 1.00 0.00 C ATOM 0 H VAL A 36 -2.294 1.601 7.359 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.567 3.865 5.379 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.829 2.198 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.335 0.217 4.042 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.395 1.725 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.594 0.705 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.558 0.053 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.829 0.541 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.217 1.444 6.045 1.00 0.00 H new ATOM 525 N GLY A 37 -5.316 3.615 5.879 1.00 0.00 N ATOM 526 CA GLY A 37 -6.603 4.097 6.432 1.00 0.00 C ATOM 527 C GLY A 37 -7.729 3.479 5.612 1.00 0.00 C ATOM 528 O GLY A 37 -8.126 4.008 4.591 1.00 0.00 O ATOM 0 H GLY A 37 -5.349 3.345 4.896 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.696 3.815 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.653 5.185 6.389 1.00 0.00 H new ATOM 532 N PHE A 38 -8.218 2.343 6.038 1.00 0.00 N ATOM 533 CA PHE A 38 -9.304 1.651 5.291 1.00 0.00 C ATOM 534 C PHE A 38 -10.314 2.657 4.723 1.00 0.00 C ATOM 535 O PHE A 38 -10.088 3.249 3.686 1.00 0.00 O ATOM 536 CB PHE A 38 -9.976 0.712 6.312 1.00 0.00 C ATOM 537 CG PHE A 38 -9.887 1.277 7.719 1.00 0.00 C ATOM 538 CD1 PHE A 38 -10.055 2.651 7.947 1.00 0.00 C ATOM 539 CD2 PHE A 38 -9.633 0.419 8.796 1.00 0.00 C ATOM 540 CE1 PHE A 38 -9.968 3.162 9.248 1.00 0.00 C ATOM 541 CE2 PHE A 38 -9.546 0.931 10.097 1.00 0.00 C ATOM 542 CZ PHE A 38 -9.714 2.302 10.322 1.00 0.00 C ATOM 0 H PHE A 38 -7.906 1.862 6.882 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.911 1.101 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -11.022 0.565 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.498 -0.267 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -10.252 3.315 7.118 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -9.504 -0.639 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -10.097 4.220 9.422 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.349 0.268 10.926 1.00 0.00 H new ATOM 0 HZ PHE A 38 -9.648 2.696 11.325 1.00 0.00 H new ATOM 552 N GLU A 39 -11.428 2.840 5.385 1.00 0.00 N ATOM 553 CA GLU A 39 -12.461 3.803 4.889 1.00 0.00 C ATOM 554 C GLU A 39 -11.799 5.004 4.205 1.00 0.00 C ATOM 555 O GLU A 39 -12.250 5.470 3.178 1.00 0.00 O ATOM 556 CB GLU A 39 -13.209 4.253 6.143 1.00 0.00 C ATOM 557 CG GLU A 39 -14.543 4.887 5.743 1.00 0.00 C ATOM 558 CD GLU A 39 -15.374 3.877 4.951 1.00 0.00 C ATOM 559 OE1 GLU A 39 -15.699 2.841 5.508 1.00 0.00 O ATOM 560 OE2 GLU A 39 -15.671 4.155 3.801 1.00 0.00 O ATOM 0 H GLU A 39 -11.669 2.361 6.253 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.122 3.348 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.382 3.401 6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.607 4.970 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.088 5.204 6.632 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -14.367 5.779 5.142 1.00 0.00 H new ATOM 567 N LYS A 40 -10.726 5.501 4.759 1.00 0.00 N ATOM 568 CA LYS A 40 -10.034 6.662 4.127 1.00 0.00 C ATOM 569 C LYS A 40 -9.026 6.156 3.089 1.00 0.00 C ATOM 570 O LYS A 40 -7.895 6.594 3.051 1.00 0.00 O ATOM 571 CB LYS A 40 -9.322 7.378 5.274 1.00 0.00 C ATOM 572 CG LYS A 40 -9.620 8.876 5.197 1.00 0.00 C ATOM 573 CD LYS A 40 -8.879 9.480 4.003 1.00 0.00 C ATOM 574 CE LYS A 40 -9.034 11.003 4.019 1.00 0.00 C ATOM 575 NZ LYS A 40 -7.989 11.484 4.965 1.00 0.00 N ATOM 0 H LYS A 40 -10.300 5.155 5.619 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.722 7.329 3.608 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.656 6.978 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.247 7.206 5.214 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.693 9.040 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.309 9.368 6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.823 9.211 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.276 9.074 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.891 11.425 3.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.031 11.295 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.374 12.258 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.695 10.702 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.167 11.828 4.429 1.00 0.00 H new ATOM 589 N ARG A 41 -9.460 5.231 2.262 1.00 0.00 N ATOM 590 CA ARG A 41 -8.599 4.622 1.190 1.00 0.00 C ATOM 591 C ARG A 41 -7.224 5.290 1.063 1.00 0.00 C ATOM 592 O ARG A 41 -6.938 5.992 0.114 1.00 0.00 O ATOM 593 CB ARG A 41 -9.404 4.804 -0.094 1.00 0.00 C ATOM 594 CG ARG A 41 -9.353 6.265 -0.549 1.00 0.00 C ATOM 595 CD ARG A 41 -8.620 6.353 -1.893 1.00 0.00 C ATOM 596 NE ARG A 41 -9.369 7.383 -2.685 1.00 0.00 N ATOM 597 CZ ARG A 41 -10.661 7.294 -2.880 1.00 0.00 C ATOM 598 NH1 ARG A 41 -11.323 6.228 -2.513 1.00 0.00 N ATOM 599 NH2 ARG A 41 -11.287 8.265 -3.487 1.00 0.00 N ATOM 0 H ARG A 41 -10.410 4.860 2.287 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.378 3.580 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.005 4.158 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.439 4.503 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.363 6.663 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.841 6.873 0.198 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.579 6.644 -1.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.617 5.390 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.859 8.173 -3.082 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.833 5.452 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.329 6.173 -2.671 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.770 9.085 -3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.293 8.204 -3.643 1.00 0.00 H new ATOM 613 N GLU A 42 -6.362 5.061 2.004 1.00 0.00 N ATOM 614 CA GLU A 42 -5.005 5.676 1.918 1.00 0.00 C ATOM 615 C GLU A 42 -3.970 4.778 2.601 1.00 0.00 C ATOM 616 O GLU A 42 -4.040 4.530 3.787 1.00 0.00 O ATOM 617 CB GLU A 42 -5.132 7.013 2.652 1.00 0.00 C ATOM 618 CG GLU A 42 -3.788 7.743 2.624 1.00 0.00 C ATOM 619 CD GLU A 42 -3.190 7.768 4.032 1.00 0.00 C ATOM 620 OE1 GLU A 42 -2.825 6.711 4.518 1.00 0.00 O ATOM 621 OE2 GLU A 42 -3.108 8.845 4.600 1.00 0.00 O ATOM 0 H GLU A 42 -6.530 4.480 2.826 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.674 5.807 0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.900 7.626 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.445 6.845 3.683 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.105 7.244 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.923 8.760 2.257 1.00 0.00 H new ATOM 628 N ALA A 43 -3.012 4.278 1.864 1.00 0.00 N ATOM 629 CA ALA A 43 -1.991 3.386 2.486 1.00 0.00 C ATOM 630 C ALA A 43 -0.629 4.079 2.584 1.00 0.00 C ATOM 631 O ALA A 43 -0.007 4.400 1.594 1.00 0.00 O ATOM 632 CB ALA A 43 -1.909 2.170 1.562 1.00 0.00 C ATOM 0 H ALA A 43 -2.893 4.448 0.865 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.266 3.114 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.176 1.465 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.885 1.687 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.608 2.491 0.565 1.00 0.00 H new ATOM 638 N VAL A 44 -0.150 4.279 3.781 1.00 0.00 N ATOM 639 CA VAL A 44 1.180 4.922 3.962 1.00 0.00 C ATOM 640 C VAL A 44 2.147 3.853 4.451 1.00 0.00 C ATOM 641 O VAL A 44 2.033 3.359 5.554 1.00 0.00 O ATOM 642 CB VAL A 44 0.947 6.028 5.005 1.00 0.00 C ATOM 643 CG1 VAL A 44 2.103 6.085 6.012 1.00 0.00 C ATOM 644 CG2 VAL A 44 0.842 7.375 4.291 1.00 0.00 C ATOM 0 H VAL A 44 -0.626 4.023 4.646 1.00 0.00 H new ATOM 0 HA VAL A 44 1.604 5.351 3.054 1.00 0.00 H new ATOM 0 HB VAL A 44 0.025 5.808 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.914 6.875 6.739 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.183 5.129 6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.035 6.292 5.485 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.677 8.164 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.766 7.572 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.008 7.351 3.590 1.00 0.00 H new ATOM 654 N VAL A 45 3.066 3.454 3.626 1.00 0.00 N ATOM 655 CA VAL A 45 3.988 2.364 4.054 1.00 0.00 C ATOM 656 C VAL A 45 5.460 2.714 3.850 1.00 0.00 C ATOM 657 O VAL A 45 5.832 3.436 2.948 1.00 0.00 O ATOM 658 CB VAL A 45 3.599 1.182 3.168 1.00 0.00 C ATOM 659 CG1 VAL A 45 4.669 0.090 3.247 1.00 0.00 C ATOM 660 CG2 VAL A 45 2.260 0.617 3.641 1.00 0.00 C ATOM 0 H VAL A 45 3.221 3.825 2.689 1.00 0.00 H new ATOM 0 HA VAL A 45 3.891 2.165 5.121 1.00 0.00 H new ATOM 0 HB VAL A 45 3.514 1.521 2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.382 -0.748 2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.624 0.491 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.764 -0.252 4.278 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.978 -0.227 3.011 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.350 0.284 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.495 1.390 3.575 1.00 0.00 H new ATOM 670 N THR A 46 6.294 2.148 4.674 1.00 0.00 N ATOM 671 CA THR A 46 7.760 2.359 4.556 1.00 0.00 C ATOM 672 C THR A 46 8.368 1.048 4.076 1.00 0.00 C ATOM 673 O THR A 46 7.778 -0.001 4.247 1.00 0.00 O ATOM 674 CB THR A 46 8.238 2.683 5.971 1.00 0.00 C ATOM 675 OG1 THR A 46 8.006 4.056 6.252 1.00 0.00 O ATOM 676 CG2 THR A 46 9.735 2.376 6.089 1.00 0.00 C ATOM 0 H THR A 46 6.014 1.535 5.440 1.00 0.00 H new ATOM 0 HA THR A 46 8.036 3.154 3.863 1.00 0.00 H new ATOM 0 HB THR A 46 7.687 2.073 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.452 4.298 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.075 2.607 7.098 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.907 1.320 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 46 10.288 2.982 5.372 1.00 0.00 H new ATOM 684 N PHE A 47 9.524 1.070 3.481 1.00 0.00 N ATOM 685 CA PHE A 47 10.100 -0.215 3.018 1.00 0.00 C ATOM 686 C PHE A 47 11.514 -0.035 2.518 1.00 0.00 C ATOM 687 O PHE A 47 12.049 1.050 2.505 1.00 0.00 O ATOM 688 CB PHE A 47 9.199 -0.659 1.870 1.00 0.00 C ATOM 689 CG PHE A 47 9.343 0.322 0.734 1.00 0.00 C ATOM 690 CD1 PHE A 47 10.332 0.132 -0.244 1.00 0.00 C ATOM 691 CD2 PHE A 47 8.492 1.431 0.662 1.00 0.00 C ATOM 692 CE1 PHE A 47 10.462 1.050 -1.290 1.00 0.00 C ATOM 693 CE2 PHE A 47 8.625 2.348 -0.385 1.00 0.00 C ATOM 694 CZ PHE A 47 9.608 2.157 -1.360 1.00 0.00 C ATOM 0 H PHE A 47 10.084 1.903 3.299 1.00 0.00 H new ATOM 0 HA PHE A 47 10.145 -0.944 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.473 -1.661 1.541 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.161 -0.705 2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 47 10.991 -0.722 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.732 1.578 1.415 1.00 0.00 H new ATOM 0 HE1 PHE A 47 11.221 0.905 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 47 7.968 3.204 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.709 2.865 -2.169 1.00 0.00 H new ATOM 704 N ASP A 48 12.097 -1.105 2.072 1.00 0.00 N ATOM 705 CA ASP A 48 13.470 -1.043 1.524 1.00 0.00 C ATOM 706 C ASP A 48 13.377 -1.218 0.011 1.00 0.00 C ATOM 707 O ASP A 48 12.971 -2.252 -0.480 1.00 0.00 O ATOM 708 CB ASP A 48 14.217 -2.214 2.167 1.00 0.00 C ATOM 709 CG ASP A 48 13.870 -2.291 3.657 1.00 0.00 C ATOM 710 OD1 ASP A 48 13.883 -1.256 4.302 1.00 0.00 O ATOM 711 OD2 ASP A 48 13.595 -3.384 4.125 1.00 0.00 O ATOM 0 H ASP A 48 11.673 -2.033 2.064 1.00 0.00 H new ATOM 0 HA ASP A 48 13.981 -0.102 1.729 1.00 0.00 H new ATOM 0 HB2 ASP A 48 13.946 -3.147 1.672 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.292 -2.086 2.040 1.00 0.00 H new ATOM 716 N ASP A 49 13.714 -0.204 -0.731 1.00 0.00 N ATOM 717 CA ASP A 49 13.606 -0.303 -2.214 1.00 0.00 C ATOM 718 C ASP A 49 14.485 -1.443 -2.754 1.00 0.00 C ATOM 719 O ASP A 49 14.400 -1.801 -3.912 1.00 0.00 O ATOM 720 CB ASP A 49 14.057 1.077 -2.728 1.00 0.00 C ATOM 721 CG ASP A 49 14.949 0.940 -3.970 1.00 0.00 C ATOM 722 OD1 ASP A 49 16.106 0.590 -3.809 1.00 0.00 O ATOM 723 OD2 ASP A 49 14.456 1.188 -5.058 1.00 0.00 O ATOM 0 H ASP A 49 14.059 0.688 -0.378 1.00 0.00 H new ATOM 0 HA ASP A 49 12.596 -0.541 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.183 1.682 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.601 1.601 -1.942 1.00 0.00 H new ATOM 728 N THR A 50 15.325 -2.016 -1.935 1.00 0.00 N ATOM 729 CA THR A 50 16.194 -3.125 -2.426 1.00 0.00 C ATOM 730 C THR A 50 15.341 -4.338 -2.822 1.00 0.00 C ATOM 731 O THR A 50 15.736 -5.144 -3.641 1.00 0.00 O ATOM 732 CB THR A 50 17.115 -3.466 -1.252 1.00 0.00 C ATOM 733 OG1 THR A 50 18.041 -4.463 -1.659 1.00 0.00 O ATOM 734 CG2 THR A 50 16.290 -3.984 -0.073 1.00 0.00 C ATOM 0 H THR A 50 15.447 -1.767 -0.954 1.00 0.00 H new ATOM 0 HA THR A 50 16.761 -2.840 -3.312 1.00 0.00 H new ATOM 0 HB THR A 50 17.651 -2.569 -0.942 1.00 0.00 H new ATOM 0 HG1 THR A 50 18.634 -4.684 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.954 -4.224 0.758 1.00 0.00 H new ATOM 0 HG22 THR A 50 15.580 -3.218 0.239 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.747 -4.880 -0.374 1.00 0.00 H new ATOM 742 N LYS A 51 14.174 -4.473 -2.249 1.00 0.00 N ATOM 743 CA LYS A 51 13.298 -5.634 -2.596 1.00 0.00 C ATOM 744 C LYS A 51 11.908 -5.147 -3.009 1.00 0.00 C ATOM 745 O LYS A 51 11.251 -5.733 -3.846 1.00 0.00 O ATOM 746 CB LYS A 51 13.218 -6.472 -1.318 1.00 0.00 C ATOM 747 CG LYS A 51 13.869 -7.836 -1.558 1.00 0.00 C ATOM 748 CD LYS A 51 13.488 -8.793 -0.425 1.00 0.00 C ATOM 749 CE LYS A 51 14.295 -8.448 0.829 1.00 0.00 C ATOM 750 NZ LYS A 51 13.445 -8.898 1.967 1.00 0.00 N ATOM 0 H LYS A 51 13.789 -3.831 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 51 13.692 -6.209 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 51 13.722 -5.956 -0.500 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.177 -6.602 -1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.544 -8.242 -2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.953 -7.729 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.421 -8.719 -0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.683 -9.823 -0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 51 15.259 -8.956 0.831 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.498 -7.379 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.930 -8.696 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.537 -8.392 1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.274 -9.921 1.889 1.00 0.00 H new ATOM 764 N ALA A 52 11.467 -4.077 -2.425 1.00 0.00 N ATOM 765 CA ALA A 52 10.125 -3.522 -2.764 1.00 0.00 C ATOM 766 C ALA A 52 10.275 -2.122 -3.353 1.00 0.00 C ATOM 767 O ALA A 52 11.359 -1.694 -3.697 1.00 0.00 O ATOM 768 CB ALA A 52 9.372 -3.464 -1.435 1.00 0.00 C ATOM 0 H ALA A 52 11.981 -3.553 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 52 9.600 -4.128 -3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.371 -3.065 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.297 -4.467 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 52 9.910 -2.819 -0.740 1.00 0.00 H new ATOM 774 N SER A 53 9.197 -1.405 -3.472 1.00 0.00 N ATOM 775 CA SER A 53 9.277 -0.034 -4.041 1.00 0.00 C ATOM 776 C SER A 53 7.897 0.620 -4.019 1.00 0.00 C ATOM 777 O SER A 53 6.889 -0.049 -4.058 1.00 0.00 O ATOM 778 CB SER A 53 9.752 -0.234 -5.478 1.00 0.00 C ATOM 779 OG SER A 53 10.942 0.514 -5.688 1.00 0.00 O ATOM 0 H SER A 53 8.262 -1.709 -3.200 1.00 0.00 H new ATOM 0 HA SER A 53 9.947 0.614 -3.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.935 -1.291 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 53 8.979 0.087 -6.177 1.00 0.00 H new ATOM 0 HG SER A 53 11.660 0.149 -5.130 1.00 0.00 H new ATOM 785 N VAL A 54 7.843 1.919 -3.958 1.00 0.00 N ATOM 786 CA VAL A 54 6.533 2.608 -3.944 1.00 0.00 C ATOM 787 C VAL A 54 5.601 1.966 -4.970 1.00 0.00 C ATOM 788 O VAL A 54 4.416 1.823 -4.740 1.00 0.00 O ATOM 789 CB VAL A 54 6.864 4.049 -4.317 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.875 4.619 -3.319 1.00 0.00 C ATOM 791 CG2 VAL A 54 7.463 4.089 -5.725 1.00 0.00 C ATOM 0 H VAL A 54 8.656 2.533 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 54 6.022 2.546 -2.983 1.00 0.00 H new ATOM 0 HB VAL A 54 5.952 4.646 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.110 5.649 -3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.450 4.594 -2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.786 4.021 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.699 5.119 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.373 3.490 -5.750 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.744 3.686 -6.438 1.00 0.00 H new ATOM 801 N GLN A 55 6.126 1.556 -6.091 1.00 0.00 N ATOM 802 CA GLN A 55 5.260 0.900 -7.106 1.00 0.00 C ATOM 803 C GLN A 55 4.790 -0.446 -6.556 1.00 0.00 C ATOM 804 O GLN A 55 3.630 -0.792 -6.645 1.00 0.00 O ATOM 805 CB GLN A 55 6.146 0.705 -8.337 1.00 0.00 C ATOM 806 CG GLN A 55 5.314 0.933 -9.601 1.00 0.00 C ATOM 807 CD GLN A 55 6.233 1.324 -10.759 1.00 0.00 C ATOM 808 OE1 GLN A 55 7.412 1.028 -10.741 1.00 0.00 O ATOM 809 NE2 GLN A 55 5.741 1.981 -11.773 1.00 0.00 N ATOM 0 H GLN A 55 7.110 1.646 -6.346 1.00 0.00 H new ATOM 0 HA GLN A 55 4.375 1.487 -7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.985 1.401 -8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.566 -0.301 -8.341 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.761 0.028 -9.852 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.578 1.718 -9.427 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.752 2.229 -11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.345 2.246 -12.551 1.00 0.00 H new ATOM 818 N LYS A 56 5.686 -1.202 -5.976 1.00 0.00 N ATOM 819 CA LYS A 56 5.294 -2.520 -5.406 1.00 0.00 C ATOM 820 C LYS A 56 4.246 -2.328 -4.304 1.00 0.00 C ATOM 821 O LYS A 56 3.434 -3.197 -4.056 1.00 0.00 O ATOM 822 CB LYS A 56 6.583 -3.102 -4.826 1.00 0.00 C ATOM 823 CG LYS A 56 6.689 -4.581 -5.197 1.00 0.00 C ATOM 824 CD LYS A 56 8.024 -4.838 -5.896 1.00 0.00 C ATOM 825 CE LYS A 56 7.909 -6.089 -6.768 1.00 0.00 C ATOM 826 NZ LYS A 56 8.931 -5.909 -7.835 1.00 0.00 N ATOM 0 H LYS A 56 6.672 -0.961 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 56 4.852 -3.178 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.445 -2.557 -5.211 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.591 -2.987 -3.742 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.611 -5.198 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.864 -4.863 -5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.298 -3.979 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.815 -4.968 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.098 -6.993 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.909 -6.185 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.913 -6.729 -8.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.722 -5.045 -8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.873 -5.828 -7.403 1.00 0.00 H new ATOM 840 N LEU A 57 4.238 -1.192 -3.652 1.00 0.00 N ATOM 841 CA LEU A 57 3.218 -0.965 -2.589 1.00 0.00 C ATOM 842 C LEU A 57 1.850 -0.838 -3.258 1.00 0.00 C ATOM 843 O LEU A 57 0.906 -1.536 -2.930 1.00 0.00 O ATOM 844 CB LEU A 57 3.614 0.349 -1.906 1.00 0.00 C ATOM 845 CG LEU A 57 5.085 0.306 -1.467 1.00 0.00 C ATOM 846 CD1 LEU A 57 5.493 1.680 -0.938 1.00 0.00 C ATOM 847 CD2 LEU A 57 5.271 -0.732 -0.359 1.00 0.00 C ATOM 0 H LEU A 57 4.887 -0.421 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 57 3.169 -1.776 -1.863 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.457 1.183 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.975 0.522 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 57 5.705 0.035 -2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.537 1.654 -0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.368 2.424 -1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.865 1.943 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.317 -0.755 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.650 -0.466 0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.979 -1.715 -0.728 1.00 0.00 H new ATOM 859 N THR A 58 1.753 0.032 -4.226 1.00 0.00 N ATOM 860 CA THR A 58 0.474 0.196 -4.962 1.00 0.00 C ATOM 861 C THR A 58 0.189 -1.093 -5.722 1.00 0.00 C ATOM 862 O THR A 58 -0.923 -1.359 -6.131 1.00 0.00 O ATOM 863 CB THR A 58 0.715 1.348 -5.936 1.00 0.00 C ATOM 864 OG1 THR A 58 1.570 2.307 -5.330 1.00 0.00 O ATOM 865 CG2 THR A 58 -0.621 2.001 -6.295 1.00 0.00 C ATOM 0 H THR A 58 2.511 0.639 -4.538 1.00 0.00 H new ATOM 0 HA THR A 58 -0.374 0.402 -4.309 1.00 0.00 H new ATOM 0 HB THR A 58 1.184 0.968 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.440 2.300 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.449 2.823 -6.990 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.273 1.262 -6.761 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.094 2.384 -5.390 1.00 0.00 H new ATOM 873 N LYS A 59 1.197 -1.906 -5.897 1.00 0.00 N ATOM 874 CA LYS A 59 0.997 -3.193 -6.607 1.00 0.00 C ATOM 875 C LYS A 59 0.480 -4.222 -5.611 1.00 0.00 C ATOM 876 O LYS A 59 -0.177 -5.176 -5.970 1.00 0.00 O ATOM 877 CB LYS A 59 2.374 -3.595 -7.131 1.00 0.00 C ATOM 878 CG LYS A 59 2.245 -4.034 -8.589 1.00 0.00 C ATOM 879 CD LYS A 59 1.483 -5.359 -8.657 1.00 0.00 C ATOM 880 CE LYS A 59 0.237 -5.193 -9.532 1.00 0.00 C ATOM 881 NZ LYS A 59 0.624 -5.752 -10.857 1.00 0.00 N ATOM 0 H LYS A 59 2.149 -1.730 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 59 0.277 -3.119 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.066 -2.757 -7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.784 -4.406 -6.529 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.721 -3.271 -9.165 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.233 -4.147 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.125 -6.139 -9.066 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.196 -5.676 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.615 -5.727 -9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.052 -4.145 -9.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.178 -5.675 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.434 -5.220 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.887 -6.752 -10.748 1.00 0.00 H new ATOM 895 N ALA A 60 0.762 -4.022 -4.351 1.00 0.00 N ATOM 896 CA ALA A 60 0.268 -4.977 -3.327 1.00 0.00 C ATOM 897 C ALA A 60 -1.237 -4.793 -3.168 1.00 0.00 C ATOM 898 O ALA A 60 -1.986 -5.747 -3.111 1.00 0.00 O ATOM 899 CB ALA A 60 1.013 -4.613 -2.042 1.00 0.00 C ATOM 0 H ALA A 60 1.311 -3.241 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 60 0.442 -6.020 -3.592 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.699 -5.279 -1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.086 -4.718 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.786 -3.582 -1.769 1.00 0.00 H new ATOM 905 N THR A 61 -1.695 -3.572 -3.143 1.00 0.00 N ATOM 906 CA THR A 61 -3.163 -3.349 -3.044 1.00 0.00 C ATOM 907 C THR A 61 -3.753 -3.621 -4.417 1.00 0.00 C ATOM 908 O THR A 61 -4.803 -4.220 -4.559 1.00 0.00 O ATOM 909 CB THR A 61 -3.325 -1.885 -2.659 1.00 0.00 C ATOM 910 OG1 THR A 61 -4.700 -1.607 -2.430 1.00 0.00 O ATOM 911 CG2 THR A 61 -2.802 -0.997 -3.787 1.00 0.00 C ATOM 0 H THR A 61 -1.123 -2.728 -3.186 1.00 0.00 H new ATOM 0 HA THR A 61 -3.661 -3.990 -2.317 1.00 0.00 H new ATOM 0 HB THR A 61 -2.757 -1.683 -1.751 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.101 -1.243 -3.247 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.919 0.051 -3.509 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.747 -1.211 -3.959 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.366 -1.196 -4.698 1.00 0.00 H new ATOM 919 N ALA A 62 -3.050 -3.216 -5.437 1.00 0.00 N ATOM 920 CA ALA A 62 -3.531 -3.486 -6.810 1.00 0.00 C ATOM 921 C ALA A 62 -3.657 -4.996 -6.966 1.00 0.00 C ATOM 922 O ALA A 62 -4.473 -5.494 -7.715 1.00 0.00 O ATOM 923 CB ALA A 62 -2.452 -2.931 -7.739 1.00 0.00 C ATOM 0 H ALA A 62 -2.166 -2.711 -5.375 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.497 -3.032 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.744 -3.097 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.334 -1.862 -7.562 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.507 -3.437 -7.542 1.00 0.00 H new ATOM 929 N ASP A 63 -2.857 -5.730 -6.234 1.00 0.00 N ATOM 930 CA ASP A 63 -2.934 -7.209 -6.308 1.00 0.00 C ATOM 931 C ASP A 63 -4.032 -7.696 -5.369 1.00 0.00 C ATOM 932 O ASP A 63 -4.610 -8.747 -5.564 1.00 0.00 O ATOM 933 CB ASP A 63 -1.565 -7.710 -5.851 1.00 0.00 C ATOM 934 CG ASP A 63 -0.718 -8.060 -7.075 1.00 0.00 C ATOM 935 OD1 ASP A 63 -1.195 -7.854 -8.178 1.00 0.00 O ATOM 936 OD2 ASP A 63 0.393 -8.527 -6.888 1.00 0.00 O ATOM 0 H ASP A 63 -2.156 -5.363 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.170 -7.572 -7.308 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.066 -6.945 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.681 -8.586 -5.212 1.00 0.00 H new ATOM 941 N ALA A 64 -4.347 -6.923 -4.364 1.00 0.00 N ATOM 942 CA ALA A 64 -5.430 -7.332 -3.440 1.00 0.00 C ATOM 943 C ALA A 64 -6.757 -7.200 -4.177 1.00 0.00 C ATOM 944 O ALA A 64 -7.768 -7.738 -3.773 1.00 0.00 O ATOM 945 CB ALA A 64 -5.353 -6.350 -2.270 1.00 0.00 C ATOM 0 H ALA A 64 -3.901 -6.032 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.339 -8.360 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.128 -6.590 -1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.374 -6.424 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.503 -5.335 -2.637 1.00 0.00 H new ATOM 951 N GLY A 65 -6.751 -6.479 -5.268 1.00 0.00 N ATOM 952 CA GLY A 65 -7.999 -6.301 -6.048 1.00 0.00 C ATOM 953 C GLY A 65 -8.462 -4.856 -5.916 1.00 0.00 C ATOM 954 O GLY A 65 -9.637 -4.559 -6.003 1.00 0.00 O ATOM 0 H GLY A 65 -5.931 -6.007 -5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.827 -6.547 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.771 -6.979 -5.684 1.00 0.00 H new ATOM 958 N TYR A 66 -7.545 -3.953 -5.699 1.00 0.00 N ATOM 959 CA TYR A 66 -7.930 -2.523 -5.545 1.00 0.00 C ATOM 960 C TYR A 66 -6.974 -1.624 -6.337 1.00 0.00 C ATOM 961 O TYR A 66 -5.907 -1.289 -5.861 1.00 0.00 O ATOM 962 CB TYR A 66 -7.809 -2.257 -4.043 1.00 0.00 C ATOM 963 CG TYR A 66 -8.577 -3.316 -3.289 1.00 0.00 C ATOM 964 CD1 TYR A 66 -9.892 -3.615 -3.662 1.00 0.00 C ATOM 965 CD2 TYR A 66 -7.978 -4.007 -2.223 1.00 0.00 C ATOM 966 CE1 TYR A 66 -10.611 -4.599 -2.976 1.00 0.00 C ATOM 967 CE2 TYR A 66 -8.701 -4.990 -1.540 1.00 0.00 C ATOM 968 CZ TYR A 66 -10.015 -5.287 -1.916 1.00 0.00 C ATOM 969 OH TYR A 66 -10.723 -6.258 -1.237 1.00 0.00 O ATOM 0 H TYR A 66 -6.546 -4.145 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.931 -2.315 -5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.761 -2.267 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -8.199 -1.268 -3.804 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -10.353 -3.084 -4.482 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.963 -3.780 -1.932 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -11.626 -4.827 -3.265 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.243 -5.522 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 66 -11.653 -5.969 -1.129 1.00 0.00 H new ATOM 979 N PRO A 67 -7.386 -1.256 -7.526 1.00 0.00 N ATOM 980 CA PRO A 67 -6.551 -0.385 -8.381 1.00 0.00 C ATOM 981 C PRO A 67 -6.250 0.927 -7.657 1.00 0.00 C ATOM 982 O PRO A 67 -7.030 1.858 -7.684 1.00 0.00 O ATOM 983 CB PRO A 67 -7.444 -0.155 -9.605 1.00 0.00 C ATOM 984 CG PRO A 67 -8.741 -0.967 -9.429 1.00 0.00 C ATOM 985 CD PRO A 67 -8.697 -1.680 -8.071 1.00 0.00 C ATOM 0 HA PRO A 67 -5.582 -0.813 -8.639 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.673 0.905 -9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.926 -0.462 -10.514 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -9.608 -0.309 -9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.843 -1.695 -10.234 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -9.522 -1.376 -7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.760 -2.763 -8.179 1.00 0.00 H new ATOM 993 N SER A 68 -5.127 1.002 -6.999 1.00 0.00 N ATOM 994 CA SER A 68 -4.779 2.250 -6.259 1.00 0.00 C ATOM 995 C SER A 68 -3.647 3.001 -6.963 1.00 0.00 C ATOM 996 O SER A 68 -3.326 2.740 -8.106 1.00 0.00 O ATOM 997 CB SER A 68 -4.322 1.775 -4.881 1.00 0.00 C ATOM 998 OG SER A 68 -2.919 1.549 -4.906 1.00 0.00 O ATOM 0 H SER A 68 -4.435 0.255 -6.941 1.00 0.00 H new ATOM 0 HA SER A 68 -5.623 2.938 -6.202 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.569 2.521 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.845 0.859 -4.607 1.00 0.00 H new ATOM 0 HG SER A 68 -2.515 1.911 -4.090 1.00 0.00 H new ATOM 1004 N SER A 69 -3.043 3.934 -6.282 1.00 0.00 N ATOM 1005 CA SER A 69 -1.934 4.716 -6.887 1.00 0.00 C ATOM 1006 C SER A 69 -0.951 5.110 -5.790 1.00 0.00 C ATOM 1007 O SER A 69 -1.052 4.654 -4.671 1.00 0.00 O ATOM 1008 CB SER A 69 -2.599 5.954 -7.487 1.00 0.00 C ATOM 1009 OG SER A 69 -3.231 6.694 -6.451 1.00 0.00 O ATOM 0 H SER A 69 -3.274 4.189 -5.322 1.00 0.00 H new ATOM 0 HA SER A 69 -1.381 4.158 -7.643 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.856 6.572 -7.991 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.331 5.660 -8.239 1.00 0.00 H new ATOM 0 HG SER A 69 -4.148 6.913 -6.718 1.00 0.00 H new ATOM 1015 N VAL A 70 0.006 5.934 -6.088 1.00 0.00 N ATOM 1016 CA VAL A 70 0.984 6.318 -5.041 1.00 0.00 C ATOM 1017 C VAL A 70 1.317 7.807 -5.123 1.00 0.00 C ATOM 1018 O VAL A 70 1.237 8.413 -6.173 1.00 0.00 O ATOM 1019 CB VAL A 70 2.189 5.445 -5.359 1.00 0.00 C ATOM 1020 CG1 VAL A 70 3.005 6.070 -6.494 1.00 0.00 C ATOM 1021 CG2 VAL A 70 3.073 5.297 -4.117 1.00 0.00 C ATOM 0 H VAL A 70 0.154 6.356 -7.005 1.00 0.00 H new ATOM 0 HA VAL A 70 0.617 6.169 -4.026 1.00 0.00 H new ATOM 0 HB VAL A 70 1.836 4.461 -5.669 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.865 5.438 -6.714 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.382 6.158 -7.384 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.349 7.059 -6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.933 4.670 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.418 6.280 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.498 4.835 -3.314 1.00 0.00 H new ATOM 1031 N LYS A 71 1.679 8.410 -4.020 1.00 0.00 N ATOM 1032 CA LYS A 71 1.996 9.871 -4.060 1.00 0.00 C ATOM 1033 C LYS A 71 2.797 10.295 -2.832 1.00 0.00 C ATOM 1034 O LYS A 71 2.558 11.333 -2.251 1.00 0.00 O ATOM 1035 CB LYS A 71 0.638 10.576 -4.085 1.00 0.00 C ATOM 1036 CG LYS A 71 -0.344 9.819 -3.189 1.00 0.00 C ATOM 1037 CD LYS A 71 -1.124 10.808 -2.325 1.00 0.00 C ATOM 1038 CE LYS A 71 -1.703 11.917 -3.207 1.00 0.00 C ATOM 1039 NZ LYS A 71 -1.045 13.166 -2.734 1.00 0.00 N ATOM 0 H LYS A 71 1.768 7.964 -3.107 1.00 0.00 H new ATOM 0 HA LYS A 71 2.607 10.124 -4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.743 11.605 -3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.257 10.619 -5.105 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.032 9.235 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.196 9.115 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.927 10.292 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.470 11.238 -1.566 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.492 11.734 -4.261 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.786 11.978 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.038 13.867 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.569 13.548 -1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.067 12.956 -2.448 1.00 0.00 H new ATOM 1053 N GLN A 72 3.752 9.502 -2.453 1.00 0.00 N ATOM 1054 CA GLN A 72 4.603 9.840 -1.270 1.00 0.00 C ATOM 1055 C GLN A 72 3.767 10.484 -0.157 1.00 0.00 C ATOM 1056 O GLN A 72 3.564 11.687 -0.212 1.00 0.00 O ATOM 1057 CB GLN A 72 5.639 10.831 -1.802 1.00 0.00 C ATOM 1058 CG GLN A 72 6.859 10.064 -2.314 1.00 0.00 C ATOM 1059 CD GLN A 72 7.191 10.521 -3.735 1.00 0.00 C ATOM 1060 OE1 GLN A 72 7.862 11.516 -3.924 1.00 0.00 O ATOM 1061 NE2 GLN A 72 6.746 9.832 -4.750 1.00 0.00 N ATOM 1062 OXT GLN A 72 3.355 9.765 0.739 1.00 0.00 O ATOM 0 H GLN A 72 3.988 8.623 -2.913 1.00 0.00 H new ATOM 0 HA GLN A 72 5.063 8.953 -0.835 1.00 0.00 H new ATOM 0 HB2 GLN A 72 5.208 11.429 -2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.935 11.523 -1.014 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.712 10.236 -1.657 1.00 0.00 H new ATOM 0 HG3 GLN A 72 6.659 8.993 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.183 8.997 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.962 10.129 -5.702 1.00 0.00 H new