USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 703 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 87 LYS NZ :NH3+ -130:sc= 0.826 (180deg=0) USER MOD Set 1.2: A 95 TYR OH : rot 180:sc= 0.732 USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= -0.24 USER MOD Set 2.2: A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -7:sc= 1.26 USER MOD Single : A 6 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0834) USER MOD Single : A 8 MET CE :methyl -137:sc= 0 (180deg=-0.771) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.04) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 2.31 (180deg=2.01) USER MOD Single : A 74 MET CE :methyl 135:sc= -1.2 (180deg=-3.84!) USER MOD Single : A 75 LYS NZ :NH3+ -176:sc= 0.932 (180deg=0.883) USER MOD Single : A 81 SER OG : rot 11:sc= 1.01 USER MOD Single : A 82 SER OG : rot 180:sc= 3.9e-05 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.799 K(o=-0.8,f=-6.7!) USER MOD Single : A 110 HIS : no HD1:sc= 0.906 K(o=0.91,f=-3.2!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.698 K(o=-0.7,f=-3.1!) USER MOD Single : A 114 MET CE :methyl -132:sc= 0 (180deg=-1.73) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN :FLIP amide:sc= -0.0639 F(o=-2!,f=-0.064) USER MOD Single : A 123 LYS NZ :NH3+ -171:sc=-0.00912 (180deg=-0.107) USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -21.532 -5.420 0.019 1.00 0.00 N ATOM 21 CA SER A 2 -20.464 -5.958 -0.802 1.00 0.00 C ATOM 22 C SER A 2 -19.130 -5.813 -0.090 1.00 0.00 C ATOM 23 O SER A 2 -18.463 -4.787 -0.199 1.00 0.00 O ATOM 24 CB SER A 2 -20.434 -5.242 -2.152 1.00 0.00 C ATOM 25 OG SER A 2 -21.722 -5.230 -2.746 1.00 0.00 O ATOM 0 HA SER A 2 -20.647 -7.019 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.081 -4.219 -2.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.727 -5.739 -2.816 1.00 0.00 H new ATOM 0 HG SER A 2 -22.331 -5.788 -2.218 1.00 0.00 H new ATOM 31 N ILE A 3 -18.755 -6.839 0.651 1.00 0.00 N ATOM 32 CA ILE A 3 -17.569 -6.783 1.491 1.00 0.00 C ATOM 33 C ILE A 3 -16.295 -6.705 0.662 1.00 0.00 C ATOM 34 O ILE A 3 -15.296 -6.135 1.100 1.00 0.00 O ATOM 35 CB ILE A 3 -17.508 -7.988 2.442 1.00 0.00 C ATOM 36 CG1 ILE A 3 -18.859 -8.147 3.143 1.00 0.00 C ATOM 37 CG2 ILE A 3 -16.383 -7.819 3.457 1.00 0.00 C ATOM 38 CD1 ILE A 3 -18.838 -9.106 4.309 1.00 0.00 C ATOM 0 H ILE A 3 -19.256 -7.726 0.689 1.00 0.00 H new ATOM 0 HA ILE A 3 -17.641 -5.872 2.085 1.00 0.00 H new ATOM 0 HB ILE A 3 -17.298 -8.890 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -19.191 -7.170 3.495 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -19.595 -8.491 2.416 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -16.358 -8.684 4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -15.430 -7.736 2.934 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -16.555 -6.917 4.044 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -19.833 -9.163 4.751 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -18.538 -10.095 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -18.128 -8.754 5.057 1.00 0.00 H new ATOM 50 N PHE A 4 -16.335 -7.248 -0.548 1.00 0.00 N ATOM 51 CA PHE A 4 -15.188 -7.160 -1.447 1.00 0.00 C ATOM 52 C PHE A 4 -14.886 -5.703 -1.808 1.00 0.00 C ATOM 53 O PHE A 4 -13.746 -5.352 -2.092 1.00 0.00 O ATOM 54 CB PHE A 4 -15.398 -8.007 -2.710 1.00 0.00 C ATOM 55 CG PHE A 4 -16.740 -7.849 -3.370 1.00 0.00 C ATOM 56 CD1 PHE A 4 -17.008 -6.765 -4.191 1.00 0.00 C ATOM 57 CD2 PHE A 4 -17.728 -8.804 -3.187 1.00 0.00 C ATOM 58 CE1 PHE A 4 -18.236 -6.635 -4.812 1.00 0.00 C ATOM 59 CE2 PHE A 4 -18.958 -8.678 -3.804 1.00 0.00 C ATOM 60 CZ PHE A 4 -19.212 -7.592 -4.618 1.00 0.00 C ATOM 0 H PHE A 4 -17.138 -7.749 -0.928 1.00 0.00 H new ATOM 0 HA PHE A 4 -14.324 -7.565 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -14.623 -7.751 -3.433 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -15.259 -9.057 -2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -16.249 -6.013 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -17.534 -9.657 -2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -18.432 -5.785 -5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -19.720 -9.428 -3.650 1.00 0.00 H new ATOM 0 HZ PHE A 4 -20.172 -7.491 -5.102 1.00 0.00 H new ATOM 70 N GLY A 5 -15.909 -4.856 -1.750 1.00 0.00 N ATOM 71 CA GLY A 5 -15.715 -3.440 -2.004 1.00 0.00 C ATOM 72 C GLY A 5 -15.432 -2.677 -0.725 1.00 0.00 C ATOM 73 O GLY A 5 -15.116 -1.488 -0.748 1.00 0.00 O ATOM 0 H GLY A 5 -16.868 -5.125 -1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.887 -3.305 -2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -16.604 -3.031 -2.483 1.00 0.00 H new ATOM 77 N LYS A 6 -15.542 -3.379 0.394 1.00 0.00 N ATOM 78 CA LYS A 6 -15.304 -2.793 1.704 1.00 0.00 C ATOM 79 C LYS A 6 -13.868 -3.045 2.148 1.00 0.00 C ATOM 80 O LYS A 6 -13.219 -2.163 2.705 1.00 0.00 O ATOM 81 CB LYS A 6 -16.290 -3.379 2.720 1.00 0.00 C ATOM 82 CG LYS A 6 -17.736 -2.987 2.454 1.00 0.00 C ATOM 83 CD LYS A 6 -18.717 -4.010 3.006 1.00 0.00 C ATOM 84 CE LYS A 6 -18.615 -4.154 4.515 1.00 0.00 C ATOM 85 NZ LYS A 6 -18.940 -2.894 5.234 1.00 0.00 N ATOM 0 H LYS A 6 -15.798 -4.366 0.419 1.00 0.00 H new ATOM 0 HA LYS A 6 -15.457 -1.716 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.208 -4.466 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.010 -3.048 3.720 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -17.936 -2.014 2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -17.890 -2.880 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.732 -3.716 2.739 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -18.531 -4.977 2.538 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -19.291 -4.942 4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -17.605 -4.468 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.988 -3.080 6.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.202 -2.186 5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -19.858 -2.533 4.904 1.00 0.00 H new ATOM 99 N ILE A 7 -13.368 -4.245 1.876 1.00 0.00 N ATOM 100 CA ILE A 7 -12.005 -4.605 2.249 1.00 0.00 C ATOM 101 C ILE A 7 -10.983 -3.809 1.441 1.00 0.00 C ATOM 102 O ILE A 7 -9.948 -3.398 1.966 1.00 0.00 O ATOM 103 CB ILE A 7 -11.729 -6.116 2.063 1.00 0.00 C ATOM 104 CG1 ILE A 7 -12.082 -6.558 0.639 1.00 0.00 C ATOM 105 CG2 ILE A 7 -12.506 -6.929 3.089 1.00 0.00 C ATOM 106 CD1 ILE A 7 -11.703 -7.988 0.332 1.00 0.00 C ATOM 0 H ILE A 7 -13.885 -4.984 1.399 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.903 -4.362 3.307 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.665 -6.294 2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -13.154 -6.435 0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -11.581 -5.899 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -12.300 -7.990 2.944 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -12.201 -6.634 4.093 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -13.573 -6.746 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.984 -8.227 -0.694 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.627 -8.113 0.451 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -12.224 -8.657 1.016 1.00 0.00 H new ATOM 118 N MET A 8 -11.287 -3.571 0.168 1.00 0.00 N ATOM 119 CA MET A 8 -10.356 -2.871 -0.711 1.00 0.00 C ATOM 120 C MET A 8 -10.307 -1.380 -0.380 1.00 0.00 C ATOM 121 O MET A 8 -9.431 -0.663 -0.854 1.00 0.00 O ATOM 122 CB MET A 8 -10.714 -3.101 -2.189 1.00 0.00 C ATOM 123 CG MET A 8 -12.064 -2.544 -2.630 1.00 0.00 C ATOM 124 SD MET A 8 -12.047 -0.756 -2.878 1.00 0.00 S ATOM 125 CE MET A 8 -13.690 -0.491 -3.540 1.00 0.00 C ATOM 0 H MET A 8 -12.163 -3.850 -0.275 1.00 0.00 H new ATOM 0 HA MET A 8 -9.361 -3.282 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.936 -2.654 -2.808 1.00 0.00 H new ATOM 0 HB3 MET A 8 -10.701 -4.173 -2.386 1.00 0.00 H new ATOM 0 HG2 MET A 8 -12.365 -3.030 -3.558 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.815 -2.794 -1.881 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.637 0.207 -4.376 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.101 -1.440 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 8 -14.333 -0.078 -2.763 1.00 0.00 H new ATOM 135 N SER A 9 -11.236 -0.932 0.456 1.00 0.00 N ATOM 136 CA SER A 9 -11.282 0.459 0.879 1.00 0.00 C ATOM 137 C SER A 9 -10.038 0.808 1.696 1.00 0.00 C ATOM 138 O SER A 9 -9.577 1.949 1.696 1.00 0.00 O ATOM 139 CB SER A 9 -12.556 0.715 1.695 1.00 0.00 C ATOM 140 OG SER A 9 -12.671 2.074 2.075 1.00 0.00 O ATOM 0 H SER A 9 -11.970 -1.517 0.855 1.00 0.00 H new ATOM 0 HA SER A 9 -11.299 1.098 -0.004 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.428 0.426 1.108 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.549 0.087 2.586 1.00 0.00 H new ATOM 0 HG SER A 9 -13.494 2.201 2.592 1.00 0.00 H new ATOM 146 N ALA A 10 -9.484 -0.189 2.374 1.00 0.00 N ATOM 147 CA ALA A 10 -8.283 0.011 3.170 1.00 0.00 C ATOM 148 C ALA A 10 -7.038 -0.391 2.383 1.00 0.00 C ATOM 149 O ALA A 10 -5.923 -0.335 2.894 1.00 0.00 O ATOM 150 CB ALA A 10 -8.379 -0.778 4.465 1.00 0.00 C ATOM 0 H ALA A 10 -9.847 -1.142 2.388 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.199 1.070 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.475 -0.622 5.054 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.246 -0.440 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.485 -1.839 4.238 1.00 0.00 H new ATOM 156 N ILE A 11 -7.245 -0.789 1.135 1.00 0.00 N ATOM 157 CA ILE A 11 -6.151 -1.206 0.271 1.00 0.00 C ATOM 158 C ILE A 11 -5.900 -0.149 -0.800 1.00 0.00 C ATOM 159 O ILE A 11 -4.797 0.369 -0.938 1.00 0.00 O ATOM 160 CB ILE A 11 -6.456 -2.560 -0.405 1.00 0.00 C ATOM 161 CG1 ILE A 11 -6.756 -3.627 0.652 1.00 0.00 C ATOM 162 CG2 ILE A 11 -5.284 -2.989 -1.283 1.00 0.00 C ATOM 163 CD1 ILE A 11 -7.182 -4.957 0.072 1.00 0.00 C ATOM 0 H ILE A 11 -8.165 -0.832 0.698 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.261 -1.322 0.890 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.336 -2.445 -1.037 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.868 -3.777 1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.542 -3.260 1.312 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.513 -3.945 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.112 -2.237 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.388 -3.091 -0.670 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.377 -5.661 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.088 -4.823 -0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.388 -5.347 -0.565 1.00 0.00 H new ATOM 175 N PHE A 12 -6.953 0.182 -1.540 1.00 0.00 N ATOM 176 CA PHE A 12 -6.865 1.169 -2.611 1.00 0.00 C ATOM 177 C PHE A 12 -7.233 2.553 -2.091 1.00 0.00 C ATOM 178 O PHE A 12 -7.433 3.490 -2.866 1.00 0.00 O ATOM 179 CB PHE A 12 -7.795 0.790 -3.773 1.00 0.00 C ATOM 180 CG PHE A 12 -7.434 -0.505 -4.446 1.00 0.00 C ATOM 181 CD1 PHE A 12 -7.906 -1.712 -3.956 1.00 0.00 C ATOM 182 CD2 PHE A 12 -6.625 -0.515 -5.572 1.00 0.00 C ATOM 183 CE1 PHE A 12 -7.578 -2.903 -4.574 1.00 0.00 C ATOM 184 CE2 PHE A 12 -6.294 -1.704 -6.194 1.00 0.00 C ATOM 185 CZ PHE A 12 -6.771 -2.899 -5.695 1.00 0.00 C ATOM 0 H PHE A 12 -7.882 -0.221 -1.417 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.837 1.186 -2.972 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.817 0.721 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.779 1.590 -4.514 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.538 -1.722 -3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -6.249 0.417 -5.968 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.952 -3.837 -4.181 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.662 -1.698 -7.070 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.514 -3.829 -6.180 1.00 0.00 H new ATOM 195 N GLY A 13 -7.321 2.671 -0.774 1.00 0.00 N ATOM 196 CA GLY A 13 -7.696 3.929 -0.161 1.00 0.00 C ATOM 197 C GLY A 13 -6.596 4.497 0.708 1.00 0.00 C ATOM 198 O GLY A 13 -6.839 5.379 1.530 1.00 0.00 O ATOM 0 H GLY A 13 -7.138 1.914 -0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.948 4.649 -0.940 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.593 3.784 0.441 1.00 0.00 H new ATOM 572 N SER A 46 0.715 1.417 -9.991 1.00 0.00 N ATOM 573 CA SER A 46 0.233 0.086 -9.668 1.00 0.00 C ATOM 574 C SER A 46 0.094 -0.049 -8.155 1.00 0.00 C ATOM 575 O SER A 46 0.839 0.578 -7.399 1.00 0.00 O ATOM 576 CB SER A 46 1.194 -0.976 -10.222 1.00 0.00 C ATOM 577 OG SER A 46 0.665 -2.283 -10.078 1.00 0.00 O ATOM 0 HA SER A 46 -0.743 -0.068 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.390 -0.776 -11.275 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.150 -0.910 -9.702 1.00 0.00 H new ATOM 0 HG SER A 46 1.300 -2.935 -10.442 1.00 0.00 H new ATOM 583 N ILE A 47 -0.866 -0.849 -7.720 1.00 0.00 N ATOM 584 CA ILE A 47 -1.133 -1.021 -6.299 1.00 0.00 C ATOM 585 C ILE A 47 -0.670 -2.395 -5.836 1.00 0.00 C ATOM 586 O ILE A 47 -1.204 -3.411 -6.270 1.00 0.00 O ATOM 587 CB ILE A 47 -2.642 -0.865 -5.995 1.00 0.00 C ATOM 588 CG1 ILE A 47 -3.133 0.538 -6.371 1.00 0.00 C ATOM 589 CG2 ILE A 47 -2.938 -1.163 -4.531 1.00 0.00 C ATOM 590 CD1 ILE A 47 -2.433 1.655 -5.627 1.00 0.00 C ATOM 0 H ILE A 47 -1.476 -1.392 -8.332 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.582 -0.249 -5.762 1.00 0.00 H new ATOM 0 HB ILE A 47 -3.182 -1.590 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.994 0.686 -7.442 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -4.204 0.601 -6.177 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.006 -1.046 -4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -2.639 -2.186 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.381 -0.471 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.836 2.615 -5.949 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.593 1.535 -4.556 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.365 1.621 -5.840 1.00 0.00 H new ATOM 602 N ASP A 48 0.326 -2.433 -4.963 1.00 0.00 N ATOM 603 CA ASP A 48 0.820 -3.706 -4.451 1.00 0.00 C ATOM 604 C ASP A 48 0.034 -4.086 -3.206 1.00 0.00 C ATOM 605 O ASP A 48 0.100 -3.402 -2.182 1.00 0.00 O ATOM 606 CB ASP A 48 2.319 -3.633 -4.139 1.00 0.00 C ATOM 607 CG ASP A 48 2.940 -5.003 -3.913 1.00 0.00 C ATOM 608 OD1 ASP A 48 2.194 -5.997 -3.794 1.00 0.00 O ATOM 609 OD2 ASP A 48 4.188 -5.091 -3.851 1.00 0.00 O ATOM 0 H ASP A 48 0.804 -1.609 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 48 0.681 -4.470 -5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.833 -3.137 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.472 -3.019 -3.252 1.00 0.00 H new ATOM 614 N VAL A 49 -0.718 -5.170 -3.305 1.00 0.00 N ATOM 615 CA VAL A 49 -1.619 -5.583 -2.234 1.00 0.00 C ATOM 616 C VAL A 49 -0.884 -6.440 -1.200 1.00 0.00 C ATOM 617 O VAL A 49 -1.315 -6.558 -0.048 1.00 0.00 O ATOM 618 CB VAL A 49 -2.822 -6.376 -2.802 1.00 0.00 C ATOM 619 CG1 VAL A 49 -3.848 -6.686 -1.719 1.00 0.00 C ATOM 620 CG2 VAL A 49 -3.466 -5.613 -3.949 1.00 0.00 C ATOM 0 H VAL A 49 -0.724 -5.784 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.986 -4.680 -1.747 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.447 -7.326 -3.181 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.678 -7.243 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.381 -7.283 -0.935 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -4.220 -5.754 -1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.310 -6.184 -4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.817 -4.645 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.734 -5.463 -4.742 1.00 0.00 H new ATOM 630 N ALA A 50 0.245 -7.003 -1.611 1.00 0.00 N ATOM 631 CA ALA A 50 0.995 -7.937 -0.777 1.00 0.00 C ATOM 632 C ALA A 50 1.452 -7.314 0.551 1.00 0.00 C ATOM 633 O ALA A 50 1.141 -7.853 1.614 1.00 0.00 O ATOM 634 CB ALA A 50 2.182 -8.504 -1.544 1.00 0.00 C ATOM 0 H ALA A 50 0.665 -6.828 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 50 0.315 -8.750 -0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.729 -9.198 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.825 -9.029 -2.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.842 -7.691 -1.846 1.00 0.00 H new ATOM 640 N PRO A 51 2.172 -6.166 0.534 1.00 0.00 N ATOM 641 CA PRO A 51 2.708 -5.561 1.761 1.00 0.00 C ATOM 642 C PRO A 51 1.616 -5.033 2.684 1.00 0.00 C ATOM 643 O PRO A 51 1.877 -4.697 3.836 1.00 0.00 O ATOM 644 CB PRO A 51 3.580 -4.407 1.256 1.00 0.00 C ATOM 645 CG PRO A 51 3.036 -4.077 -0.086 1.00 0.00 C ATOM 646 CD PRO A 51 2.523 -5.368 -0.657 1.00 0.00 C ATOM 0 HA PRO A 51 3.253 -6.293 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.527 -3.549 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.628 -4.700 1.196 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.237 -3.339 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.808 -3.648 -0.725 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.657 -5.205 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.280 -5.866 -1.263 1.00 0.00 H new ATOM 654 N ILE A 52 0.393 -4.969 2.181 1.00 0.00 N ATOM 655 CA ILE A 52 -0.725 -4.511 2.986 1.00 0.00 C ATOM 656 C ILE A 52 -1.329 -5.671 3.774 1.00 0.00 C ATOM 657 O ILE A 52 -1.422 -5.615 4.998 1.00 0.00 O ATOM 658 CB ILE A 52 -1.815 -3.837 2.119 1.00 0.00 C ATOM 659 CG1 ILE A 52 -1.227 -2.625 1.384 1.00 0.00 C ATOM 660 CG2 ILE A 52 -3.003 -3.421 2.980 1.00 0.00 C ATOM 661 CD1 ILE A 52 -2.233 -1.872 0.535 1.00 0.00 C ATOM 0 H ILE A 52 0.152 -5.227 1.224 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.341 -3.766 3.683 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.169 -4.555 1.379 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.800 -1.940 2.117 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.408 -2.961 0.747 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.759 -2.949 2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.429 -4.301 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.671 -2.715 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.741 -1.030 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.642 -2.540 -0.223 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.040 -1.504 1.168 1.00 0.00 H new ATOM 673 N LEU A 53 -1.692 -6.744 3.078 1.00 0.00 N ATOM 674 CA LEU A 53 -2.378 -7.863 3.716 1.00 0.00 C ATOM 675 C LEU A 53 -1.414 -8.759 4.483 1.00 0.00 C ATOM 676 O LEU A 53 -1.752 -9.265 5.552 1.00 0.00 O ATOM 677 CB LEU A 53 -3.155 -8.686 2.685 1.00 0.00 C ATOM 678 CG LEU A 53 -4.619 -8.278 2.494 1.00 0.00 C ATOM 679 CD1 LEU A 53 -4.729 -6.838 2.029 1.00 0.00 C ATOM 680 CD2 LEU A 53 -5.305 -9.210 1.511 1.00 0.00 C ATOM 0 H LEU A 53 -1.524 -6.862 2.079 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.081 -7.439 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.645 -8.610 1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.122 -9.734 2.981 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.121 -8.358 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.779 -6.576 1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.278 -6.180 2.772 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.208 -6.722 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.344 -8.906 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.795 -9.163 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.268 -10.231 1.891 1.00 0.00 H new ATOM 692 N ASP A 54 -0.212 -8.938 3.952 1.00 0.00 N ATOM 693 CA ASP A 54 0.763 -9.838 4.566 1.00 0.00 C ATOM 694 C ASP A 54 1.171 -9.341 5.946 1.00 0.00 C ATOM 695 O ASP A 54 1.428 -10.131 6.854 1.00 0.00 O ATOM 696 CB ASP A 54 1.997 -9.985 3.677 1.00 0.00 C ATOM 697 CG ASP A 54 2.989 -10.999 4.213 1.00 0.00 C ATOM 698 OD1 ASP A 54 2.796 -12.207 3.965 1.00 0.00 O ATOM 699 OD2 ASP A 54 3.965 -10.591 4.875 1.00 0.00 O ATOM 0 H ASP A 54 0.113 -8.476 3.102 1.00 0.00 H new ATOM 0 HA ASP A 54 0.291 -10.814 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.685 -10.283 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.489 -9.017 3.583 1.00 0.00 H new ATOM 704 N LYS A 55 1.211 -8.028 6.109 1.00 0.00 N ATOM 705 CA LYS A 55 1.603 -7.448 7.382 1.00 0.00 C ATOM 706 C LYS A 55 0.378 -7.256 8.270 1.00 0.00 C ATOM 707 O LYS A 55 0.472 -7.325 9.493 1.00 0.00 O ATOM 708 CB LYS A 55 2.332 -6.117 7.177 1.00 0.00 C ATOM 709 CG LYS A 55 3.342 -6.133 6.036 1.00 0.00 C ATOM 710 CD LYS A 55 4.284 -7.328 6.105 1.00 0.00 C ATOM 711 CE LYS A 55 5.067 -7.479 4.810 1.00 0.00 C ATOM 712 NZ LYS A 55 5.824 -8.757 4.753 1.00 0.00 N ATOM 0 H LYS A 55 0.979 -7.350 5.383 1.00 0.00 H new ATOM 0 HA LYS A 55 2.291 -8.135 7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.595 -5.337 6.986 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.846 -5.850 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.810 -6.149 5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.926 -5.213 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.974 -7.204 6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.712 -8.236 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.380 -7.428 3.965 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.760 -6.644 4.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.086 -8.962 3.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.685 -8.677 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.231 -9.528 5.121 1.00 0.00 H new ATOM 726 N ALA A 56 -0.778 -7.038 7.640 1.00 0.00 N ATOM 727 CA ALA A 56 -2.041 -6.923 8.365 1.00 0.00 C ATOM 728 C ALA A 56 -2.349 -8.217 9.104 1.00 0.00 C ATOM 729 O ALA A 56 -2.946 -8.200 10.176 1.00 0.00 O ATOM 730 CB ALA A 56 -3.182 -6.571 7.418 1.00 0.00 C ATOM 0 H ALA A 56 -0.864 -6.938 6.629 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.941 -6.118 9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.111 -6.491 7.982 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.970 -5.619 6.931 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.282 -7.351 6.663 1.00 0.00 H new ATOM 736 N VAL A 57 -1.930 -9.335 8.519 1.00 0.00 N ATOM 737 CA VAL A 57 -2.047 -10.646 9.155 1.00 0.00 C ATOM 738 C VAL A 57 -1.512 -10.623 10.586 1.00 0.00 C ATOM 739 O VAL A 57 -2.222 -10.950 11.537 1.00 0.00 O ATOM 740 CB VAL A 57 -1.283 -11.721 8.346 1.00 0.00 C ATOM 741 CG1 VAL A 57 -1.060 -12.983 9.170 1.00 0.00 C ATOM 742 CG2 VAL A 57 -2.031 -12.051 7.063 1.00 0.00 C ATOM 0 H VAL A 57 -1.501 -9.360 7.594 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.108 -10.895 9.180 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.305 -11.313 8.089 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.521 -13.718 8.572 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.477 -12.739 10.058 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.023 -13.396 9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.480 -12.809 6.505 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.023 -12.430 7.308 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.126 -11.151 6.455 1.00 0.00 H new ATOM 752 N LYS A 58 -0.267 -10.198 10.734 1.00 0.00 N ATOM 753 CA LYS A 58 0.398 -10.238 12.027 1.00 0.00 C ATOM 754 C LYS A 58 -0.023 -9.053 12.889 1.00 0.00 C ATOM 755 O LYS A 58 0.210 -9.040 14.098 1.00 0.00 O ATOM 756 CB LYS A 58 1.919 -10.262 11.836 1.00 0.00 C ATOM 757 CG LYS A 58 2.487 -8.998 11.205 1.00 0.00 C ATOM 758 CD LYS A 58 3.542 -9.314 10.153 1.00 0.00 C ATOM 759 CE LYS A 58 4.671 -10.168 10.707 1.00 0.00 C ATOM 760 NZ LYS A 58 5.641 -10.556 9.648 1.00 0.00 N ATOM 0 H LYS A 58 0.303 -9.822 9.976 1.00 0.00 H new ATOM 0 HA LYS A 58 0.099 -11.149 12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.394 -10.416 12.805 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.183 -11.116 11.213 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.679 -8.425 10.749 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.925 -8.370 11.981 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.074 -9.833 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.952 -8.383 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.191 -9.619 11.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.256 -11.065 11.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 6.396 -11.137 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.150 -11.102 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.056 -9.700 9.227 1.00 0.00 H new ATOM 774 N ALA A 59 -0.647 -8.062 12.265 1.00 0.00 N ATOM 775 CA ALA A 59 -1.155 -6.906 12.986 1.00 0.00 C ATOM 776 C ALA A 59 -2.552 -7.188 13.527 1.00 0.00 C ATOM 777 O ALA A 59 -2.988 -6.578 14.508 1.00 0.00 O ATOM 778 CB ALA A 59 -1.166 -5.680 12.083 1.00 0.00 C ATOM 0 H ALA A 59 -0.813 -8.037 11.259 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.495 -6.705 13.830 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.549 -4.823 12.637 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.152 -5.469 11.744 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.805 -5.869 11.221 1.00 0.00 H new ATOM 784 N LYS A 60 -3.249 -8.113 12.878 1.00 0.00 N ATOM 785 CA LYS A 60 -4.565 -8.537 13.327 1.00 0.00 C ATOM 786 C LYS A 60 -4.422 -9.354 14.605 1.00 0.00 C ATOM 787 O LYS A 60 -5.088 -9.082 15.602 1.00 0.00 O ATOM 788 CB LYS A 60 -5.272 -9.356 12.240 1.00 0.00 C ATOM 789 CG LYS A 60 -6.750 -9.599 12.511 1.00 0.00 C ATOM 790 CD LYS A 60 -7.527 -8.291 12.567 1.00 0.00 C ATOM 791 CE LYS A 60 -9.020 -8.529 12.748 1.00 0.00 C ATOM 792 NZ LYS A 60 -9.778 -7.253 12.852 1.00 0.00 N ATOM 0 H LYS A 60 -2.921 -8.584 12.035 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.174 -7.656 13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.168 -8.840 11.285 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.769 -10.318 12.139 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.164 -10.237 11.730 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.866 -10.133 13.454 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.154 -7.681 13.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.357 -7.727 11.650 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.400 -9.109 11.907 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.186 -9.124 13.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.790 -7.459 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.434 -6.711 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.641 -6.696 11.985 1.00 0.00 H new ATOM 806 N GLY A 61 -3.543 -10.349 14.574 1.00 0.00 N ATOM 807 CA GLY A 61 -3.242 -11.084 15.784 1.00 0.00 C ATOM 808 C GLY A 61 -2.880 -12.537 15.539 1.00 0.00 C ATOM 809 O GLY A 61 -1.883 -13.030 16.068 1.00 0.00 O ATOM 0 H GLY A 61 -3.039 -10.656 13.742 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.416 -10.595 16.300 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.104 -11.040 16.449 1.00 0.00 H new ATOM 813 N GLU A 62 -3.677 -13.220 14.738 1.00 0.00 N ATOM 814 CA GLU A 62 -3.516 -14.658 14.549 1.00 0.00 C ATOM 815 C GLU A 62 -2.690 -14.965 13.303 1.00 0.00 C ATOM 816 O GLU A 62 -2.420 -14.079 12.491 1.00 0.00 O ATOM 817 CB GLU A 62 -4.889 -15.329 14.458 1.00 0.00 C ATOM 818 CG GLU A 62 -5.780 -14.753 13.372 1.00 0.00 C ATOM 819 CD GLU A 62 -7.109 -15.469 13.267 1.00 0.00 C ATOM 820 OE1 GLU A 62 -7.116 -16.674 12.940 1.00 0.00 O ATOM 821 OE2 GLU A 62 -8.157 -14.827 13.486 1.00 0.00 O ATOM 0 H GLU A 62 -4.443 -12.807 14.206 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.979 -15.057 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.751 -16.395 14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.395 -15.233 15.419 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.956 -13.697 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.263 -14.812 12.414 1.00 0.00 H new ATOM 828 N LYS A 63 -2.283 -16.223 13.160 1.00 0.00 N ATOM 829 CA LYS A 63 -1.531 -16.645 11.989 1.00 0.00 C ATOM 830 C LYS A 63 -2.493 -16.853 10.827 1.00 0.00 C ATOM 831 O LYS A 63 -3.320 -17.764 10.845 1.00 0.00 O ATOM 832 CB LYS A 63 -0.756 -17.940 12.269 1.00 0.00 C ATOM 833 CG LYS A 63 0.623 -18.002 11.611 1.00 0.00 C ATOM 834 CD LYS A 63 0.562 -17.870 10.091 1.00 0.00 C ATOM 835 CE LYS A 63 -0.133 -19.058 9.432 1.00 0.00 C ATOM 836 NZ LYS A 63 -0.194 -18.914 7.951 1.00 0.00 N ATOM 0 H LYS A 63 -2.462 -16.963 13.839 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.808 -15.870 11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.637 -18.053 13.347 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.349 -18.787 11.923 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.249 -17.206 12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.101 -18.947 11.870 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.034 -16.953 9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.574 -17.779 9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.398 -19.976 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.143 -19.154 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.868 -19.604 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.505 -17.952 7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.749 -19.085 7.546 1.00 0.00 H new ATOM 850 N LEU A 64 -2.380 -16.001 9.828 1.00 0.00 N ATOM 851 CA LEU A 64 -3.269 -16.039 8.681 1.00 0.00 C ATOM 852 C LEU A 64 -2.477 -16.303 7.404 1.00 0.00 C ATOM 853 O LEU A 64 -1.242 -16.303 7.423 1.00 0.00 O ATOM 854 CB LEU A 64 -4.018 -14.710 8.571 1.00 0.00 C ATOM 855 CG LEU A 64 -4.924 -14.369 9.752 1.00 0.00 C ATOM 856 CD1 LEU A 64 -5.515 -12.981 9.580 1.00 0.00 C ATOM 857 CD2 LEU A 64 -6.025 -15.406 9.882 1.00 0.00 C ATOM 0 H LEU A 64 -1.674 -15.266 9.787 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.988 -16.848 8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.288 -13.910 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.623 -14.727 7.664 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.330 -14.378 10.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.159 -12.752 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.711 -12.247 9.526 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.101 -12.946 8.661 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.665 -15.153 10.727 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.620 -15.422 8.969 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.582 -16.389 10.044 1.00 0.00 H new ATOM 869 N GLU A 65 -3.183 -16.565 6.312 1.00 0.00 N ATOM 870 CA GLU A 65 -2.567 -16.674 4.999 1.00 0.00 C ATOM 871 C GLU A 65 -3.599 -16.384 3.909 1.00 0.00 C ATOM 872 O GLU A 65 -4.255 -17.281 3.375 1.00 0.00 O ATOM 873 CB GLU A 65 -1.867 -18.032 4.800 1.00 0.00 C ATOM 874 CG GLU A 65 -2.682 -19.251 5.200 1.00 0.00 C ATOM 875 CD GLU A 65 -1.805 -20.480 5.364 1.00 0.00 C ATOM 876 OE1 GLU A 65 -1.462 -21.120 4.347 1.00 0.00 O ATOM 877 OE2 GLU A 65 -1.420 -20.789 6.514 1.00 0.00 O ATOM 0 H GLU A 65 -4.193 -16.707 6.312 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.781 -15.922 4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.591 -18.129 3.750 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.940 -18.031 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.205 -19.049 6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.443 -19.445 4.444 1.00 0.00 H new ATOM 884 N TRP A 66 -3.735 -15.095 3.611 1.00 0.00 N ATOM 885 CA TRP A 66 -4.701 -14.586 2.640 1.00 0.00 C ATOM 886 C TRP A 66 -4.485 -15.167 1.244 1.00 0.00 C ATOM 887 O TRP A 66 -5.359 -15.072 0.380 1.00 0.00 O ATOM 888 CB TRP A 66 -4.611 -13.057 2.584 1.00 0.00 C ATOM 889 CG TRP A 66 -3.216 -12.544 2.352 1.00 0.00 C ATOM 890 CD1 TRP A 66 -2.277 -12.261 3.303 1.00 0.00 C ATOM 891 CD2 TRP A 66 -2.601 -12.255 1.089 1.00 0.00 C ATOM 892 NE1 TRP A 66 -1.120 -11.819 2.709 1.00 0.00 N ATOM 893 CE2 TRP A 66 -1.295 -11.805 1.352 1.00 0.00 C ATOM 894 CE3 TRP A 66 -3.031 -12.334 -0.240 1.00 0.00 C ATOM 895 CZ2 TRP A 66 -0.416 -11.434 0.338 1.00 0.00 C ATOM 896 CZ3 TRP A 66 -2.155 -11.969 -1.244 1.00 0.00 C ATOM 897 CH2 TRP A 66 -0.862 -11.524 -0.950 1.00 0.00 C ATOM 0 H TRP A 66 -3.170 -14.364 4.043 1.00 0.00 H new ATOM 0 HA TRP A 66 -5.693 -14.896 2.969 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -5.260 -12.692 1.788 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.990 -12.645 3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -2.423 -12.369 4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -0.269 -11.546 3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -4.029 -12.674 -0.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 0.582 -11.088 0.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.474 -12.028 -2.274 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.202 -11.246 -1.758 1.00 0.00 H new ATOM 908 N ARG A 67 -3.324 -15.766 1.028 1.00 0.00 N ATOM 909 CA ARG A 67 -2.994 -16.346 -0.264 1.00 0.00 C ATOM 910 C ARG A 67 -3.834 -17.590 -0.541 1.00 0.00 C ATOM 911 O ARG A 67 -3.933 -18.031 -1.685 1.00 0.00 O ATOM 912 CB ARG A 67 -1.493 -16.671 -0.364 1.00 0.00 C ATOM 913 CG ARG A 67 -0.885 -17.293 0.888 1.00 0.00 C ATOM 914 CD ARG A 67 -0.257 -16.235 1.791 1.00 0.00 C ATOM 915 NE ARG A 67 0.841 -15.527 1.123 1.00 0.00 N ATOM 916 CZ ARG A 67 1.639 -14.634 1.721 1.00 0.00 C ATOM 917 NH1 ARG A 67 1.448 -14.299 2.990 1.00 0.00 N ATOM 918 NH2 ARG A 67 2.635 -14.077 1.036 1.00 0.00 N ATOM 0 H ARG A 67 -2.593 -15.863 1.733 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.229 -15.602 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.339 -17.351 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.952 -15.753 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.656 -17.832 1.439 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.129 -18.024 0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.020 -15.518 2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.116 -16.708 2.700 1.00 0.00 H new ATOM 0 HE ARG A 67 1.007 -15.729 0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.687 -14.723 3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 67 2.062 -13.617 3.436 1.00 0.00 H new ATOM 0 HH21 ARG A 67 2.787 -14.331 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.246 -13.396 1.487 1.00 0.00 H new ATOM 932 N THR A 68 -4.457 -18.146 0.494 1.00 0.00 N ATOM 933 CA THR A 68 -5.291 -19.328 0.320 1.00 0.00 C ATOM 934 C THR A 68 -6.706 -19.124 0.867 1.00 0.00 C ATOM 935 O THR A 68 -7.683 -19.539 0.248 1.00 0.00 O ATOM 936 CB THR A 68 -4.664 -20.553 1.009 1.00 0.00 C ATOM 937 OG1 THR A 68 -4.393 -20.254 2.384 1.00 0.00 O ATOM 938 CG2 THR A 68 -3.379 -20.974 0.313 1.00 0.00 C ATOM 0 H THR A 68 -4.401 -17.801 1.452 1.00 0.00 H new ATOM 0 HA THR A 68 -5.355 -19.501 -0.754 1.00 0.00 H new ATOM 0 HB THR A 68 -5.374 -21.378 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 68 -3.996 -21.038 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.958 -21.842 0.821 1.00 0.00 H new ATOM 0 HG22 THR A 68 -3.594 -21.230 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.663 -20.153 0.343 1.00 0.00 H new ATOM 946 N SER A 69 -6.809 -18.458 2.010 1.00 0.00 N ATOM 947 CA SER A 69 -8.064 -18.359 2.735 1.00 0.00 C ATOM 948 C SER A 69 -8.763 -17.030 2.447 1.00 0.00 C ATOM 949 O SER A 69 -8.125 -15.977 2.408 1.00 0.00 O ATOM 950 CB SER A 69 -7.774 -18.519 4.228 1.00 0.00 C ATOM 951 OG SER A 69 -7.114 -19.749 4.483 1.00 0.00 O ATOM 0 H SER A 69 -6.029 -17.975 2.456 1.00 0.00 H new ATOM 0 HA SER A 69 -8.740 -19.149 2.407 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.156 -17.691 4.574 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.706 -18.478 4.791 1.00 0.00 H new ATOM 0 HG SER A 69 -6.936 -19.832 5.443 1.00 0.00 H new ATOM 957 N ILE A 70 -10.076 -17.086 2.224 1.00 0.00 N ATOM 958 CA ILE A 70 -10.837 -15.884 1.902 1.00 0.00 C ATOM 959 C ILE A 70 -11.357 -15.198 3.167 1.00 0.00 C ATOM 960 O ILE A 70 -11.352 -13.972 3.264 1.00 0.00 O ATOM 961 CB ILE A 70 -12.011 -16.181 0.935 1.00 0.00 C ATOM 962 CG1 ILE A 70 -12.677 -14.873 0.502 1.00 0.00 C ATOM 963 CG2 ILE A 70 -13.029 -17.123 1.567 1.00 0.00 C ATOM 964 CD1 ILE A 70 -11.719 -13.906 -0.167 1.00 0.00 C ATOM 0 H ILE A 70 -10.628 -17.943 2.260 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.149 -15.206 1.396 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.608 -16.680 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -13.493 -15.099 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -13.118 -14.392 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -13.839 -17.310 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -12.544 -18.066 1.821 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -13.433 -16.668 2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -12.255 -13.000 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.916 -13.652 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.297 -14.370 -1.058 1.00 0.00 H new ATOM 976 N VAL A 71 -11.770 -15.996 4.148 1.00 0.00 N ATOM 977 CA VAL A 71 -12.219 -15.461 5.433 1.00 0.00 C ATOM 978 C VAL A 71 -11.035 -14.800 6.125 1.00 0.00 C ATOM 979 O VAL A 71 -11.180 -13.894 6.947 1.00 0.00 O ATOM 980 CB VAL A 71 -12.798 -16.577 6.337 1.00 0.00 C ATOM 981 CG1 VAL A 71 -13.335 -16.005 7.644 1.00 0.00 C ATOM 982 CG2 VAL A 71 -13.887 -17.348 5.602 1.00 0.00 C ATOM 0 H VAL A 71 -11.804 -17.013 4.079 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.011 -14.734 5.255 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.989 -17.265 6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -13.735 -16.812 8.257 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.528 -15.506 8.181 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -14.126 -15.287 7.429 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.282 -18.128 6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.690 -16.666 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.468 -17.802 4.704 1.00 0.00 H new ATOM 992 N ASP A 72 -9.866 -15.266 5.727 1.00 0.00 N ATOM 993 CA ASP A 72 -8.587 -14.786 6.216 1.00 0.00 C ATOM 994 C ASP A 72 -8.425 -13.294 5.965 1.00 0.00 C ATOM 995 O ASP A 72 -8.450 -12.488 6.895 1.00 0.00 O ATOM 996 CB ASP A 72 -7.500 -15.545 5.474 1.00 0.00 C ATOM 997 CG ASP A 72 -6.152 -15.453 6.120 1.00 0.00 C ATOM 998 OD1 ASP A 72 -5.463 -14.435 5.929 1.00 0.00 O ATOM 999 OD2 ASP A 72 -5.769 -16.428 6.802 1.00 0.00 O ATOM 0 H ASP A 72 -9.778 -16.010 5.035 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.522 -14.949 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -7.787 -16.594 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -7.432 -15.162 4.456 1.00 0.00 H new ATOM 1004 N LEU A 73 -8.292 -12.938 4.692 1.00 0.00 N ATOM 1005 CA LEU A 73 -8.058 -11.555 4.295 1.00 0.00 C ATOM 1006 C LEU A 73 -9.238 -10.655 4.653 1.00 0.00 C ATOM 1007 O LEU A 73 -9.066 -9.459 4.878 1.00 0.00 O ATOM 1008 CB LEU A 73 -7.745 -11.481 2.793 1.00 0.00 C ATOM 1009 CG LEU A 73 -8.763 -12.140 1.852 1.00 0.00 C ATOM 1010 CD1 LEU A 73 -9.897 -11.183 1.507 1.00 0.00 C ATOM 1011 CD2 LEU A 73 -8.077 -12.630 0.585 1.00 0.00 C ATOM 0 H LEU A 73 -8.343 -13.594 3.912 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.196 -11.188 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.652 -10.431 2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.773 -11.944 2.623 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.193 -12.996 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.601 -11.679 0.839 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.412 -10.884 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.491 -10.300 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.813 -13.095 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.615 -11.787 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.311 -13.360 0.845 1.00 0.00 H new ATOM 1023 N MET A 74 -10.428 -11.235 4.719 1.00 0.00 N ATOM 1024 CA MET A 74 -11.625 -10.479 5.059 1.00 0.00 C ATOM 1025 C MET A 74 -11.490 -9.854 6.445 1.00 0.00 C ATOM 1026 O MET A 74 -11.567 -8.631 6.598 1.00 0.00 O ATOM 1027 CB MET A 74 -12.859 -11.385 4.997 1.00 0.00 C ATOM 1028 CG MET A 74 -14.149 -10.686 5.391 1.00 0.00 C ATOM 1029 SD MET A 74 -15.604 -11.732 5.197 1.00 0.00 S ATOM 1030 CE MET A 74 -15.190 -13.101 6.276 1.00 0.00 C ATOM 0 H MET A 74 -10.590 -12.226 4.542 1.00 0.00 H new ATOM 0 HA MET A 74 -11.746 -9.676 4.332 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.962 -11.775 3.984 1.00 0.00 H new ATOM 0 HB3 MET A 74 -12.704 -12.241 5.654 1.00 0.00 H new ATOM 0 HG2 MET A 74 -14.077 -10.361 6.429 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.270 -9.789 4.784 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.056 -13.358 6.886 1.00 0.00 H new ATOM 0 HE2 MET A 74 -14.900 -13.963 5.675 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.362 -12.816 6.924 1.00 0.00 H new ATOM 1040 N LYS A 75 -11.256 -10.687 7.452 1.00 0.00 N ATOM 1041 CA LYS A 75 -11.124 -10.191 8.813 1.00 0.00 C ATOM 1042 C LYS A 75 -9.815 -9.431 8.980 1.00 0.00 C ATOM 1043 O LYS A 75 -9.754 -8.474 9.751 1.00 0.00 O ATOM 1044 CB LYS A 75 -11.220 -11.333 9.832 1.00 0.00 C ATOM 1045 CG LYS A 75 -10.214 -12.451 9.613 1.00 0.00 C ATOM 1046 CD LYS A 75 -10.376 -13.557 10.645 1.00 0.00 C ATOM 1047 CE LYS A 75 -9.458 -14.730 10.344 1.00 0.00 C ATOM 1048 NZ LYS A 75 -9.570 -15.802 11.367 1.00 0.00 N ATOM 0 H LYS A 75 -11.155 -11.697 7.353 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.950 -9.505 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.080 -10.924 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.225 -11.752 9.797 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.340 -12.864 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.203 -12.048 9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.156 -13.166 11.638 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.412 -13.897 10.658 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.701 -15.138 9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.427 -14.380 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.879 -16.552 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.379 -15.404 12.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.530 -16.201 11.348 1.00 0.00 H new ATOM 1062 N ALA A 76 -8.788 -9.846 8.228 1.00 0.00 N ATOM 1063 CA ALA A 76 -7.461 -9.235 8.299 1.00 0.00 C ATOM 1064 C ALA A 76 -7.525 -7.715 8.161 1.00 0.00 C ATOM 1065 O ALA A 76 -6.858 -6.997 8.902 1.00 0.00 O ATOM 1066 CB ALA A 76 -6.547 -9.815 7.228 1.00 0.00 C ATOM 0 H ALA A 76 -8.856 -10.611 7.557 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.053 -9.465 9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.564 -9.348 7.297 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.449 -10.890 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.972 -9.622 6.243 1.00 0.00 H new ATOM 1072 N LEU A 77 -8.324 -7.232 7.208 1.00 0.00 N ATOM 1073 CA LEU A 77 -8.498 -5.794 7.030 1.00 0.00 C ATOM 1074 C LEU A 77 -9.196 -5.182 8.240 1.00 0.00 C ATOM 1075 O LEU A 77 -8.576 -4.461 9.023 1.00 0.00 O ATOM 1076 CB LEU A 77 -9.282 -5.477 5.745 1.00 0.00 C ATOM 1077 CG LEU A 77 -8.447 -5.392 4.455 1.00 0.00 C ATOM 1078 CD1 LEU A 77 -7.309 -4.398 4.618 1.00 0.00 C ATOM 1079 CD2 LEU A 77 -7.908 -6.757 4.059 1.00 0.00 C ATOM 0 H LEU A 77 -8.854 -7.810 6.556 1.00 0.00 H new ATOM 0 HA LEU A 77 -7.506 -5.352 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.047 -6.242 5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.801 -4.528 5.883 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.101 -5.043 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.731 -4.353 3.695 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.716 -3.412 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.663 -4.716 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.322 -6.666 3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.275 -7.144 4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.739 -7.442 3.891 1.00 0.00 H new ATOM 1091 N ASP A 78 -10.483 -5.483 8.402 1.00 0.00 N ATOM 1092 CA ASP A 78 -11.257 -4.952 9.527 1.00 0.00 C ATOM 1093 C ASP A 78 -12.695 -5.445 9.464 1.00 0.00 C ATOM 1094 O ASP A 78 -13.617 -4.774 9.921 1.00 0.00 O ATOM 1095 CB ASP A 78 -11.240 -3.416 9.520 1.00 0.00 C ATOM 1096 CG ASP A 78 -11.729 -2.808 10.824 1.00 0.00 C ATOM 1097 OD1 ASP A 78 -11.161 -3.138 11.887 1.00 0.00 O ATOM 1098 OD2 ASP A 78 -12.680 -1.995 10.790 1.00 0.00 O ATOM 0 H ASP A 78 -11.011 -6.088 7.773 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.797 -5.307 10.449 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.225 -3.071 9.323 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.863 -3.056 8.702 1.00 0.00 H new ATOM 1103 N ILE A 79 -12.893 -6.631 8.914 1.00 0.00 N ATOM 1104 CA ILE A 79 -14.245 -7.144 8.749 1.00 0.00 C ATOM 1105 C ILE A 79 -14.591 -8.091 9.888 1.00 0.00 C ATOM 1106 O ILE A 79 -13.752 -8.872 10.335 1.00 0.00 O ATOM 1107 CB ILE A 79 -14.446 -7.841 7.387 1.00 0.00 C ATOM 1108 CG1 ILE A 79 -14.109 -6.874 6.248 1.00 0.00 C ATOM 1109 CG2 ILE A 79 -15.877 -8.350 7.242 1.00 0.00 C ATOM 1110 CD1 ILE A 79 -14.955 -5.618 6.239 1.00 0.00 C ATOM 0 H ILE A 79 -12.152 -7.247 8.580 1.00 0.00 H new ATOM 0 HA ILE A 79 -14.921 -6.289 8.773 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.774 -8.698 7.337 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -13.059 -6.592 6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -14.234 -7.391 5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -15.994 -8.837 6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -16.091 -9.065 8.036 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -16.570 -7.512 7.312 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -14.657 -4.984 5.404 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -16.006 -5.888 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -14.812 -5.077 7.174 1.00 0.00 H new ATOM 1122 N ASP A 80 -15.837 -8.005 10.342 1.00 0.00 N ATOM 1123 CA ASP A 80 -16.309 -8.716 11.532 1.00 0.00 C ATOM 1124 C ASP A 80 -16.079 -10.219 11.438 1.00 0.00 C ATOM 1125 O ASP A 80 -15.892 -10.880 12.457 1.00 0.00 O ATOM 1126 CB ASP A 80 -17.805 -8.453 11.735 1.00 0.00 C ATOM 1127 CG ASP A 80 -18.132 -6.977 11.827 1.00 0.00 C ATOM 1128 OD1 ASP A 80 -18.198 -6.312 10.767 1.00 0.00 O ATOM 1129 OD2 ASP A 80 -18.344 -6.479 12.948 1.00 0.00 O ATOM 0 H ASP A 80 -16.555 -7.437 9.893 1.00 0.00 H new ATOM 0 HA ASP A 80 -15.735 -8.340 12.379 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -18.363 -8.894 10.908 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -18.137 -8.952 12.645 1.00 0.00 H new ATOM 1134 N SER A 81 -16.106 -10.742 10.211 1.00 0.00 N ATOM 1135 CA SER A 81 -16.006 -12.184 9.937 1.00 0.00 C ATOM 1136 C SER A 81 -17.072 -12.975 10.706 1.00 0.00 C ATOM 1137 O SER A 81 -16.961 -14.185 10.884 1.00 0.00 O ATOM 1138 CB SER A 81 -14.589 -12.729 10.225 1.00 0.00 C ATOM 1139 OG SER A 81 -14.191 -12.543 11.575 1.00 0.00 O ATOM 0 H SER A 81 -16.199 -10.174 9.369 1.00 0.00 H new ATOM 0 HA SER A 81 -16.194 -12.320 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.558 -13.792 9.985 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.874 -12.233 9.569 1.00 0.00 H new ATOM 0 HG SER A 81 -14.962 -12.256 12.107 1.00 0.00 H new ATOM 1145 N SER A 82 -18.122 -12.278 11.119 1.00 0.00 N ATOM 1146 CA SER A 82 -19.218 -12.892 11.848 1.00 0.00 C ATOM 1147 C SER A 82 -20.232 -13.457 10.859 1.00 0.00 C ATOM 1148 O SER A 82 -20.018 -13.375 9.649 1.00 0.00 O ATOM 1149 CB SER A 82 -19.864 -11.848 12.766 1.00 0.00 C ATOM 1150 OG SER A 82 -20.805 -12.433 13.649 1.00 0.00 O ATOM 0 H SER A 82 -18.236 -11.277 10.958 1.00 0.00 H new ATOM 0 HA SER A 82 -18.847 -13.711 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 82 -19.090 -11.343 13.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 -20.358 -11.088 12.161 1.00 0.00 H new ATOM 0 HG SER A 82 -21.195 -11.738 14.219 1.00 0.00 H new ATOM 1156 N LEU A 83 -21.319 -14.030 11.373 1.00 0.00 N ATOM 1157 CA LEU A 83 -22.366 -14.623 10.536 1.00 0.00 C ATOM 1158 C LEU A 83 -22.793 -13.657 9.440 1.00 0.00 C ATOM 1159 O LEU A 83 -22.800 -14.014 8.264 1.00 0.00 O ATOM 1160 CB LEU A 83 -23.571 -15.027 11.405 1.00 0.00 C ATOM 1161 CG LEU A 83 -24.591 -15.989 10.760 1.00 0.00 C ATOM 1162 CD1 LEU A 83 -25.456 -15.285 9.723 1.00 0.00 C ATOM 1163 CD2 LEU A 83 -23.880 -17.178 10.128 1.00 0.00 C ATOM 0 H LEU A 83 -21.500 -14.097 12.375 1.00 0.00 H new ATOM 0 HA LEU A 83 -21.965 -15.517 10.058 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.194 -15.490 12.317 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -24.097 -14.120 11.702 1.00 0.00 H new ATOM 0 HG LEU A 83 -25.247 -16.346 11.554 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -26.160 -15.997 9.293 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -26.006 -14.473 10.199 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -24.822 -14.881 8.934 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -24.616 -17.845 9.678 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -23.193 -16.824 9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -23.322 -17.717 10.893 1.00 0.00 H new ATOM 1175 N SER A 84 -23.114 -12.432 9.836 1.00 0.00 N ATOM 1176 CA SER A 84 -23.577 -11.407 8.909 1.00 0.00 C ATOM 1177 C SER A 84 -22.618 -11.236 7.729 1.00 0.00 C ATOM 1178 O SER A 84 -23.036 -11.265 6.571 1.00 0.00 O ATOM 1179 CB SER A 84 -23.723 -10.082 9.657 1.00 0.00 C ATOM 1180 OG SER A 84 -24.426 -10.267 10.878 1.00 0.00 O ATOM 0 H SER A 84 -23.061 -12.121 10.806 1.00 0.00 H new ATOM 0 HA SER A 84 -24.541 -11.720 8.507 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.737 -9.663 9.859 1.00 0.00 H new ATOM 0 HB3 SER A 84 -24.253 -9.363 9.032 1.00 0.00 H new ATOM 0 HG SER A 84 -24.507 -9.408 11.342 1.00 0.00 H new ATOM 1186 N ALA A 85 -21.331 -11.104 8.040 1.00 0.00 N ATOM 1187 CA ALA A 85 -20.312 -10.815 7.036 1.00 0.00 C ATOM 1188 C ALA A 85 -20.166 -11.947 6.019 1.00 0.00 C ATOM 1189 O ALA A 85 -20.374 -11.747 4.824 1.00 0.00 O ATOM 1190 CB ALA A 85 -18.978 -10.538 7.714 1.00 0.00 C ATOM 0 H ALA A 85 -20.967 -11.194 8.989 1.00 0.00 H new ATOM 0 HA ALA A 85 -20.633 -9.929 6.488 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -18.223 -10.323 6.958 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -19.079 -9.681 8.379 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -18.675 -11.411 8.291 1.00 0.00 H new ATOM 1196 N ARG A 86 -19.818 -13.136 6.498 1.00 0.00 N ATOM 1197 CA ARG A 86 -19.603 -14.282 5.613 1.00 0.00 C ATOM 1198 C ARG A 86 -20.875 -14.645 4.846 1.00 0.00 C ATOM 1199 O ARG A 86 -20.815 -15.195 3.744 1.00 0.00 O ATOM 1200 CB ARG A 86 -19.083 -15.488 6.410 1.00 0.00 C ATOM 1201 CG ARG A 86 -19.867 -15.776 7.680 1.00 0.00 C ATOM 1202 CD ARG A 86 -19.208 -16.870 8.505 1.00 0.00 C ATOM 1203 NE ARG A 86 -19.735 -16.914 9.869 1.00 0.00 N ATOM 1204 CZ ARG A 86 -19.424 -17.856 10.762 1.00 0.00 C ATOM 1205 NH1 ARG A 86 -18.609 -18.847 10.430 1.00 0.00 N ATOM 1206 NH2 ARG A 86 -19.932 -17.807 11.989 1.00 0.00 N ATOM 0 H ARG A 86 -19.679 -13.334 7.489 1.00 0.00 H new ATOM 0 HA ARG A 86 -18.848 -13.999 4.880 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -19.109 -16.371 5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.039 -15.315 6.671 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.944 -14.866 8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -20.883 -16.075 7.422 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -19.367 -17.835 8.023 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -18.131 -16.703 8.537 1.00 0.00 H new ATOM 0 HE ARG A 86 -20.381 -16.178 10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -18.217 -18.892 9.489 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.374 -19.565 11.115 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.561 -17.048 12.250 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.693 -18.528 12.669 1.00 0.00 H new ATOM 1220 N LYS A 87 -22.021 -14.314 5.426 1.00 0.00 N ATOM 1221 CA LYS A 87 -23.302 -14.577 4.796 1.00 0.00 C ATOM 1222 C LYS A 87 -23.501 -13.657 3.595 1.00 0.00 C ATOM 1223 O LYS A 87 -23.776 -14.119 2.485 1.00 0.00 O ATOM 1224 CB LYS A 87 -24.440 -14.378 5.807 1.00 0.00 C ATOM 1225 CG LYS A 87 -25.815 -14.778 5.290 1.00 0.00 C ATOM 1226 CD LYS A 87 -25.908 -16.277 5.042 1.00 0.00 C ATOM 1227 CE LYS A 87 -25.739 -17.077 6.326 1.00 0.00 C ATOM 1228 NZ LYS A 87 -25.849 -18.540 6.085 1.00 0.00 N ATOM 0 H LYS A 87 -22.086 -13.860 6.337 1.00 0.00 H new ATOM 0 HA LYS A 87 -23.314 -15.611 4.450 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -24.219 -14.957 6.703 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -24.467 -13.330 6.104 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -26.576 -14.480 6.011 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -26.026 -14.242 4.365 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -26.873 -16.511 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -25.142 -16.575 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -24.768 -16.854 6.768 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -26.496 -16.770 7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -26.521 -18.954 6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -26.187 -18.708 5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -24.916 -18.983 6.208 1.00 0.00 H new ATOM 1242 N GLU A 88 -23.322 -12.357 3.812 1.00 0.00 N ATOM 1243 CA GLU A 88 -23.618 -11.370 2.781 1.00 0.00 C ATOM 1244 C GLU A 88 -22.579 -11.384 1.670 1.00 0.00 C ATOM 1245 O GLU A 88 -22.911 -11.141 0.517 1.00 0.00 O ATOM 1246 CB GLU A 88 -23.746 -9.967 3.383 1.00 0.00 C ATOM 1247 CG GLU A 88 -22.482 -9.442 4.036 1.00 0.00 C ATOM 1248 CD GLU A 88 -22.731 -8.155 4.791 1.00 0.00 C ATOM 1249 OE1 GLU A 88 -22.708 -7.079 4.160 1.00 0.00 O ATOM 1250 OE2 GLU A 88 -22.973 -8.211 6.011 1.00 0.00 O ATOM 0 H GLU A 88 -22.975 -11.965 4.688 1.00 0.00 H new ATOM 0 HA GLU A 88 -24.576 -11.644 2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -24.047 -9.275 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -24.545 -9.975 4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -22.087 -10.194 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.722 -9.274 3.273 1.00 0.00 H new ATOM 1257 N LEU A 89 -21.334 -11.687 2.008 1.00 0.00 N ATOM 1258 CA LEU A 89 -20.269 -11.743 1.014 1.00 0.00 C ATOM 1259 C LEU A 89 -20.589 -12.795 -0.044 1.00 0.00 C ATOM 1260 O LEU A 89 -20.442 -12.556 -1.246 1.00 0.00 O ATOM 1261 CB LEU A 89 -18.928 -12.044 1.690 1.00 0.00 C ATOM 1262 CG LEU A 89 -17.723 -12.144 0.751 1.00 0.00 C ATOM 1263 CD1 LEU A 89 -17.592 -10.889 -0.101 1.00 0.00 C ATOM 1264 CD2 LEU A 89 -16.451 -12.371 1.554 1.00 0.00 C ATOM 0 H LEU A 89 -21.036 -11.898 2.960 1.00 0.00 H new ATOM 0 HA LEU A 89 -20.195 -10.773 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -18.729 -11.265 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -19.019 -12.983 2.236 1.00 0.00 H new ATOM 0 HG LEU A 89 -17.878 -12.992 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -16.729 -10.985 -0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -18.493 -10.761 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -17.460 -10.022 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -15.600 -12.441 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -16.301 -11.538 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -16.539 -13.297 2.121 1.00 0.00 H new ATOM 1276 N ALA A 90 -21.056 -13.949 0.407 1.00 0.00 N ATOM 1277 CA ALA A 90 -21.443 -15.011 -0.503 1.00 0.00 C ATOM 1278 C ALA A 90 -22.690 -14.616 -1.289 1.00 0.00 C ATOM 1279 O ALA A 90 -22.801 -14.911 -2.477 1.00 0.00 O ATOM 1280 CB ALA A 90 -21.676 -16.303 0.263 1.00 0.00 C ATOM 0 H ALA A 90 -21.175 -14.172 1.395 1.00 0.00 H new ATOM 0 HA ALA A 90 -20.632 -15.173 -1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -21.966 -17.091 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -20.759 -16.592 0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -22.470 -16.154 0.994 1.00 0.00 H new ATOM 1286 N LYS A 91 -23.611 -13.926 -0.620 1.00 0.00 N ATOM 1287 CA LYS A 91 -24.863 -13.476 -1.234 1.00 0.00 C ATOM 1288 C LYS A 91 -24.610 -12.546 -2.419 1.00 0.00 C ATOM 1289 O LYS A 91 -25.284 -12.640 -3.445 1.00 0.00 O ATOM 1290 CB LYS A 91 -25.729 -12.767 -0.188 1.00 0.00 C ATOM 1291 CG LYS A 91 -26.429 -13.716 0.776 1.00 0.00 C ATOM 1292 CD LYS A 91 -26.773 -13.036 2.096 1.00 0.00 C ATOM 1293 CE LYS A 91 -27.489 -11.710 1.892 1.00 0.00 C ATOM 1294 NZ LYS A 91 -27.808 -11.051 3.184 1.00 0.00 N ATOM 0 H LYS A 91 -23.513 -13.662 0.360 1.00 0.00 H new ATOM 0 HA LYS A 91 -25.386 -14.356 -1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -25.104 -12.080 0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -26.480 -12.164 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -27.341 -14.094 0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -25.788 -14.577 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -27.402 -13.699 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -25.859 -12.869 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -26.865 -11.049 1.291 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -28.409 -11.876 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -28.295 -10.150 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -28.424 -11.671 3.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -26.928 -10.869 3.708 1.00 0.00 H new ATOM 1308 N GLU A 92 -23.635 -11.657 -2.276 1.00 0.00 N ATOM 1309 CA GLU A 92 -23.302 -10.704 -3.329 1.00 0.00 C ATOM 1310 C GLU A 92 -22.798 -11.428 -4.571 1.00 0.00 C ATOM 1311 O GLU A 92 -23.015 -10.981 -5.697 1.00 0.00 O ATOM 1312 CB GLU A 92 -22.232 -9.727 -2.848 1.00 0.00 C ATOM 1313 CG GLU A 92 -22.583 -9.010 -1.558 1.00 0.00 C ATOM 1314 CD GLU A 92 -23.809 -8.128 -1.672 1.00 0.00 C ATOM 1315 OE1 GLU A 92 -23.667 -6.965 -2.100 1.00 0.00 O ATOM 1316 OE2 GLU A 92 -24.913 -8.578 -1.302 1.00 0.00 O ATOM 0 H GLU A 92 -23.059 -11.576 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 92 -24.208 -10.153 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -21.297 -10.269 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.056 -8.985 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -22.748 -9.749 -0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.734 -8.401 -1.248 1.00 0.00 H new ATOM 1323 N LEU A 93 -22.112 -12.541 -4.356 1.00 0.00 N ATOM 1324 CA LEU A 93 -21.565 -13.320 -5.455 1.00 0.00 C ATOM 1325 C LEU A 93 -22.612 -14.265 -6.043 1.00 0.00 C ATOM 1326 O LEU A 93 -22.623 -14.518 -7.247 1.00 0.00 O ATOM 1327 CB LEU A 93 -20.342 -14.103 -4.984 1.00 0.00 C ATOM 1328 CG LEU A 93 -19.193 -13.241 -4.462 1.00 0.00 C ATOM 1329 CD1 LEU A 93 -18.061 -14.118 -3.967 1.00 0.00 C ATOM 1330 CD2 LEU A 93 -18.695 -12.291 -5.542 1.00 0.00 C ATOM 0 H LEU A 93 -21.921 -12.924 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.263 -12.630 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -20.649 -14.791 -4.196 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -19.976 -14.710 -5.812 1.00 0.00 H new ATOM 0 HG LEU A 93 -19.564 -12.644 -3.629 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -17.249 -13.491 -3.598 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -18.421 -14.757 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -17.697 -14.738 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -17.877 -11.688 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -18.341 -12.866 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -19.509 -11.638 -5.856 1.00 0.00 H new ATOM 1342 N GLY A 94 -23.494 -14.783 -5.198 1.00 0.00 N ATOM 1343 CA GLY A 94 -24.530 -15.673 -5.678 1.00 0.00 C ATOM 1344 C GLY A 94 -25.045 -16.604 -4.599 1.00 0.00 C ATOM 1345 O GLY A 94 -26.200 -17.023 -4.643 1.00 0.00 O ATOM 0 H GLY A 94 -23.510 -14.603 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -25.359 -15.082 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -24.141 -16.264 -6.507 1.00 0.00 H new ATOM 1349 N TYR A 95 -24.176 -16.941 -3.641 1.00 0.00 N ATOM 1350 CA TYR A 95 -24.538 -17.801 -2.506 1.00 0.00 C ATOM 1351 C TYR A 95 -24.848 -19.224 -2.981 1.00 0.00 C ATOM 1352 O TYR A 95 -25.364 -20.053 -2.233 1.00 0.00 O ATOM 1353 CB TYR A 95 -25.733 -17.192 -1.747 1.00 0.00 C ATOM 1354 CG TYR A 95 -25.994 -17.782 -0.374 1.00 0.00 C ATOM 1355 CD1 TYR A 95 -25.073 -17.631 0.657 1.00 0.00 C ATOM 1356 CD2 TYR A 95 -27.172 -18.470 -0.102 1.00 0.00 C ATOM 1357 CE1 TYR A 95 -25.317 -18.152 1.916 1.00 0.00 C ATOM 1358 CE2 TYR A 95 -27.422 -18.995 1.153 1.00 0.00 C ATOM 1359 CZ TYR A 95 -26.492 -18.833 2.159 1.00 0.00 C ATOM 1360 OH TYR A 95 -26.742 -19.345 3.417 1.00 0.00 O ATOM 0 H TYR A 95 -23.205 -16.628 -3.629 1.00 0.00 H new ATOM 0 HA TYR A 95 -23.691 -17.861 -1.823 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -25.566 -16.120 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -26.630 -17.315 -2.354 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -24.152 -17.098 0.472 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -27.905 -18.597 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -24.590 -18.026 2.705 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -28.341 -19.529 1.344 1.00 0.00 H new ATOM 0 HH TYR A 95 -27.613 -19.794 3.420 1.00 0.00 H new ATOM 1454 N ALA A 103 -15.321 -27.339 2.199 1.00 0.00 N ATOM 1455 CA ALA A 103 -13.951 -27.354 1.700 1.00 0.00 C ATOM 1456 C ALA A 103 -13.761 -26.375 0.545 1.00 0.00 C ATOM 1457 O ALA A 103 -13.076 -25.360 0.680 1.00 0.00 O ATOM 1458 CB ALA A 103 -13.586 -28.758 1.247 1.00 0.00 C ATOM 0 HA ALA A 103 -13.295 -27.044 2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -12.562 -28.765 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.671 -29.446 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.263 -29.071 0.452 1.00 0.00 H new ATOM 1464 N SER A 104 -14.389 -26.671 -0.586 1.00 0.00 N ATOM 1465 CA SER A 104 -14.214 -25.867 -1.785 1.00 0.00 C ATOM 1466 C SER A 104 -14.995 -24.560 -1.689 1.00 0.00 C ATOM 1467 O SER A 104 -14.903 -23.707 -2.569 1.00 0.00 O ATOM 1468 CB SER A 104 -14.637 -26.658 -3.024 1.00 0.00 C ATOM 1469 OG SER A 104 -13.893 -27.861 -3.144 1.00 0.00 O ATOM 0 H SER A 104 -15.023 -27.462 -0.696 1.00 0.00 H new ATOM 0 HA SER A 104 -13.156 -25.619 -1.875 1.00 0.00 H new ATOM 0 HB2 SER A 104 -15.701 -26.889 -2.965 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.492 -26.047 -3.915 1.00 0.00 H new ATOM 0 HG SER A 104 -14.185 -28.348 -3.943 1.00 0.00 H new ATOM 1475 N MET A 105 -15.753 -24.404 -0.609 1.00 0.00 N ATOM 1476 CA MET A 105 -16.482 -23.166 -0.365 1.00 0.00 C ATOM 1477 C MET A 105 -15.499 -22.046 -0.044 1.00 0.00 C ATOM 1478 O MET A 105 -15.667 -20.912 -0.485 1.00 0.00 O ATOM 1479 CB MET A 105 -17.475 -23.342 0.786 1.00 0.00 C ATOM 1480 CG MET A 105 -18.405 -22.156 0.981 1.00 0.00 C ATOM 1481 SD MET A 105 -19.542 -21.932 -0.402 1.00 0.00 S ATOM 1482 CE MET A 105 -20.439 -20.477 0.133 1.00 0.00 C ATOM 0 H MET A 105 -15.878 -25.117 0.109 1.00 0.00 H new ATOM 0 HA MET A 105 -17.042 -22.906 -1.263 1.00 0.00 H new ATOM 0 HB2 MET A 105 -18.073 -24.235 0.604 1.00 0.00 H new ATOM 0 HB3 MET A 105 -16.921 -23.513 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 105 -18.977 -22.295 1.898 1.00 0.00 H new ATOM 0 HG3 MET A 105 -17.812 -21.251 1.109 1.00 0.00 H new ATOM 0 HE1 MET A 105 -21.182 -20.211 -0.619 1.00 0.00 H new ATOM 0 HE2 MET A 105 -20.938 -20.685 1.079 1.00 0.00 H new ATOM 0 HE3 MET A 105 -19.743 -19.648 0.264 1.00 0.00 H new ATOM 1492 N ASN A 106 -14.465 -22.384 0.718 1.00 0.00 N ATOM 1493 CA ASN A 106 -13.408 -21.433 1.060 1.00 0.00 C ATOM 1494 C ASN A 106 -12.548 -21.148 -0.167 1.00 0.00 C ATOM 1495 O ASN A 106 -12.091 -20.026 -0.378 1.00 0.00 O ATOM 1496 CB ASN A 106 -12.548 -22.003 2.199 1.00 0.00 C ATOM 1497 CG ASN A 106 -11.389 -21.103 2.609 1.00 0.00 C ATOM 1498 OD1 ASN A 106 -11.463 -19.873 2.526 1.00 0.00 O ATOM 1499 ND2 ASN A 106 -10.309 -21.718 3.063 1.00 0.00 N ATOM 0 H ASN A 106 -14.334 -23.315 1.114 1.00 0.00 H new ATOM 0 HA ASN A 106 -13.857 -20.497 1.393 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -13.183 -22.179 3.067 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -12.152 -22.971 1.892 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.499 -21.174 3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -10.287 -22.736 3.116 1.00 0.00 H new ATOM 1506 N ILE A 107 -12.354 -22.178 -0.983 1.00 0.00 N ATOM 1507 CA ILE A 107 -11.543 -22.070 -2.190 1.00 0.00 C ATOM 1508 C ILE A 107 -12.225 -21.186 -3.234 1.00 0.00 C ATOM 1509 O ILE A 107 -11.637 -20.214 -3.717 1.00 0.00 O ATOM 1510 CB ILE A 107 -11.274 -23.464 -2.798 1.00 0.00 C ATOM 1511 CG1 ILE A 107 -10.641 -24.390 -1.755 1.00 0.00 C ATOM 1512 CG2 ILE A 107 -10.375 -23.344 -4.021 1.00 0.00 C ATOM 1513 CD1 ILE A 107 -10.459 -25.815 -2.232 1.00 0.00 C ATOM 0 H ILE A 107 -12.751 -23.105 -0.828 1.00 0.00 H new ATOM 0 HA ILE A 107 -10.595 -21.614 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 107 -12.225 -23.896 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -9.670 -23.987 -1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -11.264 -24.393 -0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -10.194 -24.335 -4.438 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.861 -22.718 -4.769 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.425 -22.894 -3.732 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.006 -26.409 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -11.429 -26.238 -2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.811 -25.825 -3.108 1.00 0.00 H new ATOM 1525 N TRP A 108 -13.467 -21.525 -3.571 1.00 0.00 N ATOM 1526 CA TRP A 108 -14.224 -20.784 -4.572 1.00 0.00 C ATOM 1527 C TRP A 108 -14.385 -19.323 -4.168 1.00 0.00 C ATOM 1528 O TRP A 108 -14.046 -18.420 -4.936 1.00 0.00 O ATOM 1529 CB TRP A 108 -15.607 -21.416 -4.790 1.00 0.00 C ATOM 1530 CG TRP A 108 -16.562 -20.499 -5.497 1.00 0.00 C ATOM 1531 CD1 TRP A 108 -16.528 -20.125 -6.809 1.00 0.00 C ATOM 1532 CD2 TRP A 108 -17.684 -19.822 -4.916 1.00 0.00 C ATOM 1533 NE1 TRP A 108 -17.551 -19.251 -7.077 1.00 0.00 N ATOM 1534 CE2 TRP A 108 -18.278 -19.053 -5.932 1.00 0.00 C ATOM 1535 CE3 TRP A 108 -18.244 -19.791 -3.633 1.00 0.00 C ATOM 1536 CZ2 TRP A 108 -19.403 -18.261 -5.706 1.00 0.00 C ATOM 1537 CZ3 TRP A 108 -19.359 -19.005 -3.411 1.00 0.00 C ATOM 1538 CH2 TRP A 108 -19.927 -18.250 -4.443 1.00 0.00 C ATOM 0 H TRP A 108 -13.971 -22.312 -3.162 1.00 0.00 H new ATOM 0 HA TRP A 108 -13.663 -20.828 -5.506 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -15.495 -22.333 -5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -16.028 -21.698 -3.825 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -15.802 -20.467 -7.531 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -17.740 -18.819 -7.981 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -17.812 -20.371 -2.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -19.845 -17.677 -6.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -19.799 -18.973 -2.425 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -20.798 -17.645 -4.238 1.00 0.00 H new ATOM 1549 N LEU A 109 -14.889 -19.104 -2.957 1.00 0.00 N ATOM 1550 CA LEU A 109 -15.156 -17.758 -2.462 1.00 0.00 C ATOM 1551 C LEU A 109 -13.883 -16.919 -2.505 1.00 0.00 C ATOM 1552 O LEU A 109 -13.920 -15.728 -2.806 1.00 0.00 O ATOM 1553 CB LEU A 109 -15.700 -17.821 -1.029 1.00 0.00 C ATOM 1554 CG LEU A 109 -16.337 -16.531 -0.502 1.00 0.00 C ATOM 1555 CD1 LEU A 109 -17.624 -16.234 -1.248 1.00 0.00 C ATOM 1556 CD2 LEU A 109 -16.607 -16.646 0.989 1.00 0.00 C ATOM 0 H LEU A 109 -15.122 -19.846 -2.297 1.00 0.00 H new ATOM 0 HA LEU A 109 -15.905 -17.291 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -16.441 -18.618 -0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -14.884 -18.100 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 109 -15.641 -15.708 -0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -18.064 -15.315 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -17.410 -16.116 -2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -18.324 -17.058 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -17.060 -15.722 1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -17.286 -17.478 1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -15.669 -16.820 1.516 1.00 0.00 H new ATOM 1568 N HIS A 110 -12.752 -17.565 -2.235 1.00 0.00 N ATOM 1569 CA HIS A 110 -11.460 -16.890 -2.214 1.00 0.00 C ATOM 1570 C HIS A 110 -11.107 -16.314 -3.581 1.00 0.00 C ATOM 1571 O HIS A 110 -10.541 -15.229 -3.676 1.00 0.00 O ATOM 1572 CB HIS A 110 -10.362 -17.856 -1.754 1.00 0.00 C ATOM 1573 CG HIS A 110 -8.995 -17.241 -1.716 1.00 0.00 C ATOM 1574 ND1 HIS A 110 -7.934 -17.713 -2.459 1.00 0.00 N ATOM 1575 CD2 HIS A 110 -8.519 -16.191 -1.010 1.00 0.00 C ATOM 1576 CE1 HIS A 110 -6.868 -16.976 -2.213 1.00 0.00 C ATOM 1577 NE2 HIS A 110 -7.194 -16.044 -1.338 1.00 0.00 N ATOM 0 H HIS A 110 -12.706 -18.562 -2.026 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.531 -16.063 -1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.611 -18.228 -0.760 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.345 -18.717 -2.422 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -9.078 -15.581 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -5.892 -17.113 -2.654 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -6.565 -15.332 -0.967 1.00 0.00 H new ATOM 1586 N LYS A 111 -11.439 -17.041 -4.637 1.00 0.00 N ATOM 1587 CA LYS A 111 -11.079 -16.613 -5.981 1.00 0.00 C ATOM 1588 C LYS A 111 -12.079 -15.588 -6.503 1.00 0.00 C ATOM 1589 O LYS A 111 -11.694 -14.573 -7.082 1.00 0.00 O ATOM 1590 CB LYS A 111 -10.995 -17.810 -6.935 1.00 0.00 C ATOM 1591 CG LYS A 111 -10.118 -18.941 -6.414 1.00 0.00 C ATOM 1592 CD LYS A 111 -9.715 -19.907 -7.519 1.00 0.00 C ATOM 1593 CE LYS A 111 -10.913 -20.427 -8.302 1.00 0.00 C ATOM 1594 NZ LYS A 111 -10.500 -21.338 -9.405 1.00 0.00 N ATOM 0 H LYS A 111 -11.952 -17.921 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 111 -10.095 -16.146 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.000 -18.193 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.606 -17.472 -7.896 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.223 -18.523 -5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -10.652 -19.484 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.028 -19.407 -8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.176 -20.748 -7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.587 -20.955 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.470 -19.586 -8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -11.343 -21.671 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.877 -20.827 -10.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.990 -22.154 -9.009 1.00 0.00 H new ATOM 1608 N GLN A 112 -13.358 -15.852 -6.271 1.00 0.00 N ATOM 1609 CA GLN A 112 -14.423 -14.984 -6.751 1.00 0.00 C ATOM 1610 C GLN A 112 -14.302 -13.582 -6.153 1.00 0.00 C ATOM 1611 O GLN A 112 -14.422 -12.584 -6.866 1.00 0.00 O ATOM 1612 CB GLN A 112 -15.785 -15.586 -6.409 1.00 0.00 C ATOM 1613 CG GLN A 112 -16.836 -15.338 -7.479 1.00 0.00 C ATOM 1614 CD GLN A 112 -16.548 -16.111 -8.753 1.00 0.00 C ATOM 1615 OE1 GLN A 112 -17.029 -17.228 -8.941 1.00 0.00 O ATOM 1616 NE2 GLN A 112 -15.747 -15.532 -9.628 1.00 0.00 N ATOM 0 H GLN A 112 -13.684 -16.666 -5.750 1.00 0.00 H new ATOM 0 HA GLN A 112 -14.331 -14.900 -7.834 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -15.673 -16.660 -6.261 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -16.132 -15.168 -5.464 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -17.816 -15.623 -7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -16.879 -14.272 -7.704 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -15.368 -14.605 -9.437 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.507 -16.012 -10.496 1.00 0.00 H new ATOM 1625 N VAL A 113 -14.056 -13.512 -4.848 1.00 0.00 N ATOM 1626 CA VAL A 113 -13.885 -12.231 -4.168 1.00 0.00 C ATOM 1627 C VAL A 113 -12.598 -11.546 -4.619 1.00 0.00 C ATOM 1628 O VAL A 113 -12.558 -10.326 -4.785 1.00 0.00 O ATOM 1629 CB VAL A 113 -13.870 -12.397 -2.629 1.00 0.00 C ATOM 1630 CG1 VAL A 113 -13.578 -11.074 -1.935 1.00 0.00 C ATOM 1631 CG2 VAL A 113 -15.191 -12.968 -2.138 1.00 0.00 C ATOM 0 H VAL A 113 -13.971 -14.327 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 113 -14.739 -11.610 -4.438 1.00 0.00 H new ATOM 0 HB VAL A 113 -13.072 -13.096 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -13.574 -11.223 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -12.604 -10.703 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -14.347 -10.348 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -15.160 -13.077 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -16.003 -12.294 -2.412 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -15.359 -13.943 -2.596 1.00 0.00 H new ATOM 1641 N MET A 114 -11.562 -12.338 -4.860 1.00 0.00 N ATOM 1642 CA MET A 114 -10.267 -11.797 -5.254 1.00 0.00 C ATOM 1643 C MET A 114 -10.372 -11.140 -6.627 1.00 0.00 C ATOM 1644 O MET A 114 -9.678 -10.166 -6.922 1.00 0.00 O ATOM 1645 CB MET A 114 -9.210 -12.899 -5.279 1.00 0.00 C ATOM 1646 CG MET A 114 -7.800 -12.397 -5.024 1.00 0.00 C ATOM 1647 SD MET A 114 -7.594 -11.755 -3.351 1.00 0.00 S ATOM 1648 CE MET A 114 -5.837 -11.401 -3.328 1.00 0.00 C ATOM 0 H MET A 114 -11.592 -13.355 -4.790 1.00 0.00 H new ATOM 0 HA MET A 114 -9.967 -11.047 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 114 -9.461 -13.648 -4.528 1.00 0.00 H new ATOM 0 HB3 MET A 114 -9.239 -13.397 -6.248 1.00 0.00 H new ATOM 0 HG2 MET A 114 -7.092 -13.209 -5.189 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.560 -11.614 -5.743 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.395 -11.813 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.364 -11.852 -4.200 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.683 -10.322 -3.349 1.00 0.00 H new ATOM 1658 N SER A 115 -11.270 -11.672 -7.451 1.00 0.00 N ATOM 1659 CA SER A 115 -11.532 -11.129 -8.775 1.00 0.00 C ATOM 1660 C SER A 115 -12.158 -9.738 -8.660 1.00 0.00 C ATOM 1661 O SER A 115 -12.018 -8.900 -9.549 1.00 0.00 O ATOM 1662 CB SER A 115 -12.460 -12.080 -9.547 1.00 0.00 C ATOM 1663 OG SER A 115 -12.748 -11.601 -10.850 1.00 0.00 O ATOM 0 H SER A 115 -11.834 -12.489 -7.218 1.00 0.00 H new ATOM 0 HA SER A 115 -10.592 -11.036 -9.320 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.994 -13.063 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 115 -13.390 -12.207 -8.994 1.00 0.00 H new ATOM 0 HG SER A 115 -13.339 -12.234 -11.308 1.00 0.00 H new ATOM 1669 N LYS A 116 -12.829 -9.492 -7.545 1.00 0.00 N ATOM 1670 CA LYS A 116 -13.460 -8.200 -7.305 1.00 0.00 C ATOM 1671 C LYS A 116 -12.482 -7.267 -6.602 1.00 0.00 C ATOM 1672 O LYS A 116 -12.737 -6.073 -6.455 1.00 0.00 O ATOM 1673 CB LYS A 116 -14.709 -8.371 -6.439 1.00 0.00 C ATOM 1674 CG LYS A 116 -15.617 -9.512 -6.877 1.00 0.00 C ATOM 1675 CD LYS A 116 -16.210 -9.278 -8.257 1.00 0.00 C ATOM 1676 CE LYS A 116 -17.074 -10.453 -8.688 1.00 0.00 C ATOM 1677 NZ LYS A 116 -17.805 -10.178 -9.951 1.00 0.00 N ATOM 0 H LYS A 116 -12.951 -10.169 -6.792 1.00 0.00 H new ATOM 0 HA LYS A 116 -13.747 -7.771 -8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -14.402 -8.541 -5.407 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -15.278 -7.442 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -15.051 -10.444 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.423 -9.631 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -16.808 -8.367 -8.250 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -15.408 -9.128 -8.980 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.447 -11.335 -8.818 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.790 -10.684 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -18.381 -11.006 -10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.424 -9.353 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -17.123 -9.983 -10.711 1.00 0.00 H new ATOM 1691 N LEU A 117 -11.358 -7.834 -6.178 1.00 0.00 N ATOM 1692 CA LEU A 117 -10.379 -7.113 -5.376 1.00 0.00 C ATOM 1693 C LEU A 117 -9.191 -6.667 -6.232 1.00 0.00 C ATOM 1694 O LEU A 117 -9.035 -5.485 -6.533 1.00 0.00 O ATOM 1695 CB LEU A 117 -9.894 -8.020 -4.235 1.00 0.00 C ATOM 1696 CG LEU A 117 -9.520 -7.321 -2.922 1.00 0.00 C ATOM 1697 CD1 LEU A 117 -9.060 -8.343 -1.898 1.00 0.00 C ATOM 1698 CD2 LEU A 117 -8.439 -6.273 -3.131 1.00 0.00 C ATOM 0 H LEU A 117 -11.102 -8.800 -6.379 1.00 0.00 H new ATOM 0 HA LEU A 117 -10.850 -6.221 -4.964 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -10.675 -8.750 -4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -9.025 -8.576 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 117 -10.411 -6.813 -2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -8.797 -7.835 -0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -9.864 -9.054 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.188 -8.874 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -8.202 -5.800 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -7.544 -6.748 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -8.795 -5.518 -3.832 1.00 0.00 H new ATOM 1710 N VAL A 118 -8.372 -7.628 -6.648 1.00 0.00 N ATOM 1711 CA VAL A 118 -7.102 -7.321 -7.301 1.00 0.00 C ATOM 1712 C VAL A 118 -7.293 -6.848 -8.738 1.00 0.00 C ATOM 1713 O VAL A 118 -6.419 -6.192 -9.300 1.00 0.00 O ATOM 1714 CB VAL A 118 -6.137 -8.525 -7.278 1.00 0.00 C ATOM 1715 CG1 VAL A 118 -5.784 -8.893 -5.848 1.00 0.00 C ATOM 1716 CG2 VAL A 118 -6.730 -9.720 -8.007 1.00 0.00 C ATOM 0 H VAL A 118 -8.564 -8.625 -6.545 1.00 0.00 H new ATOM 0 HA VAL A 118 -6.660 -6.507 -6.726 1.00 0.00 H new ATOM 0 HB VAL A 118 -5.225 -8.236 -7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -5.103 -9.744 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -5.304 -8.044 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -6.692 -9.156 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -6.027 -10.552 -7.974 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -7.663 -10.014 -7.526 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -6.926 -9.452 -9.045 1.00 0.00 H new ATOM 1726 N ALA A 119 -8.446 -7.153 -9.324 1.00 0.00 N ATOM 1727 CA ALA A 119 -8.732 -6.728 -10.693 1.00 0.00 C ATOM 1728 C ALA A 119 -9.002 -5.228 -10.759 1.00 0.00 C ATOM 1729 O ALA A 119 -9.263 -4.676 -11.827 1.00 0.00 O ATOM 1730 CB ALA A 119 -9.904 -7.509 -11.258 1.00 0.00 C ATOM 0 H ALA A 119 -9.192 -7.688 -8.879 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.852 -6.936 -11.301 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -10.103 -7.180 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -9.665 -8.573 -11.260 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -10.787 -7.337 -10.642 1.00 0.00 H new ATOM 1736 N ASN A 120 -8.929 -4.576 -9.606 1.00 0.00 N ATOM 1737 CA ASN A 120 -9.092 -3.129 -9.526 1.00 0.00 C ATOM 1738 C ASN A 120 -7.771 -2.432 -9.832 1.00 0.00 C ATOM 1739 O ASN A 120 -7.689 -1.204 -9.834 1.00 0.00 O ATOM 1740 CB ASN A 120 -9.582 -2.707 -8.135 1.00 0.00 C ATOM 1741 CG ASN A 120 -11.035 -3.076 -7.859 1.00 0.00 C ATOM 1742 OD1 ASN A 120 -11.525 -4.139 -8.481 1.00 0.00 O flip ATOM 1743 ND2 ASN A 120 -11.714 -2.401 -7.086 1.00 0.00 N flip ATOM 0 H ASN A 120 -8.757 -5.029 -8.708 1.00 0.00 H new ATOM 0 HA ASN A 120 -9.838 -2.834 -10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -8.949 -3.172 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -9.464 -1.629 -8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -11.305 -1.589 -6.624 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -12.686 -2.654 -6.907 1.00 0.00 H new ATOM 1750 N GLY A 121 -6.734 -3.223 -10.091 1.00 0.00 N ATOM 1751 CA GLY A 121 -5.435 -2.660 -10.402 1.00 0.00 C ATOM 1752 C GLY A 121 -4.376 -3.037 -9.386 1.00 0.00 C ATOM 1753 O GLY A 121 -3.338 -2.377 -9.286 1.00 0.00 O ATOM 0 H GLY A 121 -6.771 -4.242 -10.091 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -5.123 -3.000 -11.389 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.516 -1.574 -10.450 1.00 0.00 H new ATOM 1757 N GLY A 122 -4.638 -4.095 -8.634 1.00 0.00 N ATOM 1758 CA GLY A 122 -3.703 -4.548 -7.628 1.00 0.00 C ATOM 1759 C GLY A 122 -2.786 -5.642 -8.142 1.00 0.00 C ATOM 1760 O GLY A 122 -3.213 -6.519 -8.893 1.00 0.00 O ATOM 0 H GLY A 122 -5.490 -4.652 -8.705 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.103 -3.704 -7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -4.254 -4.916 -6.763 1.00 0.00 H new ATOM 1764 N LYS A 123 -1.528 -5.575 -7.739 1.00 0.00 N ATOM 1765 CA LYS A 123 -0.532 -6.564 -8.115 1.00 0.00 C ATOM 1766 C LYS A 123 -0.330 -7.531 -6.952 1.00 0.00 C ATOM 1767 O LYS A 123 -0.225 -7.110 -5.799 1.00 0.00 O ATOM 1768 CB LYS A 123 0.784 -5.855 -8.470 1.00 0.00 C ATOM 1769 CG LYS A 123 1.699 -6.636 -9.411 1.00 0.00 C ATOM 1770 CD LYS A 123 2.393 -7.798 -8.719 1.00 0.00 C ATOM 1771 CE LYS A 123 3.366 -8.505 -9.651 1.00 0.00 C ATOM 1772 NZ LYS A 123 2.687 -9.089 -10.842 1.00 0.00 N ATOM 0 H LYS A 123 -1.168 -4.832 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 123 -0.867 -7.125 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.550 -4.894 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 123 1.327 -5.645 -7.549 1.00 0.00 H new ATOM 0 HG2 LYS A 123 1.114 -7.014 -10.250 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.450 -5.962 -9.824 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.928 -7.433 -7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 123 1.647 -8.509 -8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.128 -7.799 -9.980 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.879 -9.296 -9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 3.358 -9.687 -11.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 1.878 -9.665 -10.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 2.350 -8.323 -11.460 1.00 0.00 H new ATOM 1786 N LEU A 124 -0.309 -8.822 -7.253 1.00 0.00 N ATOM 1787 CA LEU A 124 -0.167 -9.842 -6.224 1.00 0.00 C ATOM 1788 C LEU A 124 0.844 -10.908 -6.642 1.00 0.00 C ATOM 1789 O LEU A 124 1.077 -11.122 -7.832 1.00 0.00 O ATOM 1790 CB LEU A 124 -1.537 -10.471 -5.836 1.00 0.00 C ATOM 1791 CG LEU A 124 -2.457 -11.059 -6.946 1.00 0.00 C ATOM 1792 CD1 LEU A 124 -2.903 -10.003 -7.945 1.00 0.00 C ATOM 1793 CD2 LEU A 124 -1.809 -12.232 -7.666 1.00 0.00 C ATOM 0 H LEU A 124 -0.389 -9.188 -8.202 1.00 0.00 H new ATOM 0 HA LEU A 124 0.219 -9.352 -5.330 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.338 -11.269 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.109 -9.707 -5.310 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.345 -11.429 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -3.542 -10.462 -8.699 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -3.458 -9.222 -7.425 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.029 -9.567 -8.428 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.488 -12.609 -8.431 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.881 -11.904 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.594 -13.025 -6.950 1.00 0.00 H new ATOM 1805 N PRO A 125 1.489 -11.569 -5.666 1.00 0.00 N ATOM 1806 CA PRO A 125 2.381 -12.695 -5.940 1.00 0.00 C ATOM 1807 C PRO A 125 1.647 -13.812 -6.683 1.00 0.00 C ATOM 1808 O PRO A 125 0.463 -14.049 -6.436 1.00 0.00 O ATOM 1809 CB PRO A 125 2.827 -13.168 -4.548 1.00 0.00 C ATOM 1810 CG PRO A 125 1.875 -12.534 -3.587 1.00 0.00 C ATOM 1811 CD PRO A 125 1.419 -11.257 -4.232 1.00 0.00 C ATOM 0 HA PRO A 125 3.219 -12.414 -6.577 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.794 -14.255 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 125 3.853 -12.865 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 125 1.030 -13.192 -3.385 1.00 0.00 H new ATOM 0 HG3 PRO A 125 2.360 -12.336 -2.631 1.00 0.00 H new ATOM 0 HD2 PRO A 125 0.408 -10.989 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.064 -10.419 -3.969 1.00 0.00 H new ATOM 1819 N PRO A 126 2.345 -14.524 -7.584 1.00 0.00 N ATOM 1820 CA PRO A 126 1.739 -15.548 -8.460 1.00 0.00 C ATOM 1821 C PRO A 126 1.251 -16.800 -7.718 1.00 0.00 C ATOM 1822 O PRO A 126 1.175 -17.884 -8.299 1.00 0.00 O ATOM 1823 CB PRO A 126 2.879 -15.911 -9.415 1.00 0.00 C ATOM 1824 CG PRO A 126 4.124 -15.576 -8.671 1.00 0.00 C ATOM 1825 CD PRO A 126 3.791 -14.379 -7.828 1.00 0.00 C ATOM 0 HA PRO A 126 0.842 -15.162 -8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 126 2.850 -16.968 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 126 2.810 -15.346 -10.345 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.446 -16.413 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 126 4.942 -15.355 -9.357 1.00 0.00 H new ATOM 0 HD2 PRO A 126 4.357 -14.374 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.020 -13.447 -8.345 1.00 0.00 H new