USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 27 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Set 1.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.083 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= -1.28 (180deg=-1.48) USER MOD Single : A 9 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.63) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 HIS : no HD1:sc= -2.12! K(o=-2.1!,f=-0.75) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.4!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -27:sc= 0.373 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.911 K(o=-0.91,f=-2!) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -0.119 (180deg=-0.582) USER MOD Single : A 44 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.6!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0599 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.0109 (180deg=0.00158) USER MOD Single : A 50 GLN : amide:sc= -0.84 K(o=-0.84,f=-0.22!) USER MOD Single : A 52 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.62) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0618 (180deg=-0.396) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 73 ASN : amide:sc= -0.0445 K(o=-0.045,f=-1.7!) USER MOD Single : A 74 SER OG : rot -79:sc= 1.22 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.067 -8.627 -25.056 1.00 0.00 N ATOM 2 CA GLY A 1 -21.732 -8.108 -25.293 1.00 0.00 C ATOM 3 C GLY A 1 -20.672 -8.853 -24.503 1.00 0.00 C ATOM 4 O GLY A 1 -20.975 -9.814 -23.797 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.486 -8.932 -25.958 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.014 -9.438 -24.407 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.659 -7.883 -24.633 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.503 -8.175 -26.356 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.704 -7.051 -25.027 1.00 0.00 H new ATOM 8 N SER A 2 -19.425 -8.408 -24.624 1.00 0.00 N ATOM 9 CA SER A 2 -18.317 -9.042 -23.921 1.00 0.00 C ATOM 10 C SER A 2 -17.089 -8.137 -23.914 1.00 0.00 C ATOM 11 O SER A 2 -16.663 -7.643 -24.958 1.00 0.00 O ATOM 12 CB SER A 2 -17.972 -10.383 -24.572 1.00 0.00 C ATOM 13 OG SER A 2 -17.270 -11.222 -23.671 1.00 0.00 O ATOM 0 H SER A 2 -19.158 -7.611 -25.202 1.00 0.00 H new ATOM 0 HA SER A 2 -18.625 -9.215 -22.890 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.887 -10.879 -24.898 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.367 -10.213 -25.463 1.00 0.00 H new ATOM 0 HG SER A 2 -17.063 -12.073 -24.110 1.00 0.00 H new ATOM 19 N SER A 3 -16.525 -7.923 -22.730 1.00 0.00 N ATOM 20 CA SER A 3 -15.349 -7.074 -22.585 1.00 0.00 C ATOM 21 C SER A 3 -14.220 -7.825 -21.885 1.00 0.00 C ATOM 22 O SER A 3 -14.457 -8.788 -21.157 1.00 0.00 O ATOM 23 CB SER A 3 -15.700 -5.810 -21.799 1.00 0.00 C ATOM 24 OG SER A 3 -14.795 -4.760 -22.092 1.00 0.00 O ATOM 0 H SER A 3 -16.864 -8.326 -21.857 1.00 0.00 H new ATOM 0 HA SER A 3 -15.011 -6.791 -23.582 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.716 -5.497 -22.042 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.679 -6.025 -20.731 1.00 0.00 H new ATOM 0 HG SER A 3 -15.042 -3.963 -21.578 1.00 0.00 H new ATOM 30 N GLY A 4 -12.989 -7.376 -22.111 1.00 0.00 N ATOM 31 CA GLY A 4 -11.841 -8.016 -21.495 1.00 0.00 C ATOM 32 C GLY A 4 -10.718 -7.039 -21.207 1.00 0.00 C ATOM 33 O GLY A 4 -10.839 -5.844 -21.480 1.00 0.00 O ATOM 0 H GLY A 4 -12.766 -6.581 -22.710 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.150 -8.493 -20.565 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.473 -8.805 -22.151 1.00 0.00 H new ATOM 37 N SER A 5 -9.621 -7.546 -20.654 1.00 0.00 N ATOM 38 CA SER A 5 -8.473 -6.710 -20.324 1.00 0.00 C ATOM 39 C SER A 5 -7.168 -7.459 -20.567 1.00 0.00 C ATOM 40 O SER A 5 -7.137 -8.690 -20.576 1.00 0.00 O ATOM 41 CB SER A 5 -8.550 -6.255 -18.864 1.00 0.00 C ATOM 42 OG SER A 5 -7.714 -5.135 -18.636 1.00 0.00 O ATOM 0 H SER A 5 -9.503 -8.533 -20.425 1.00 0.00 H new ATOM 0 HA SER A 5 -8.494 -5.834 -20.972 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.580 -6.002 -18.612 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.254 -7.074 -18.208 1.00 0.00 H new ATOM 0 HG SER A 5 -7.782 -4.862 -17.697 1.00 0.00 H new ATOM 48 N SER A 6 -6.089 -6.707 -20.764 1.00 0.00 N ATOM 49 CA SER A 6 -4.779 -7.298 -21.011 1.00 0.00 C ATOM 50 C SER A 6 -3.903 -7.219 -19.765 1.00 0.00 C ATOM 51 O SER A 6 -3.299 -8.208 -19.353 1.00 0.00 O ATOM 52 CB SER A 6 -4.089 -6.592 -22.180 1.00 0.00 C ATOM 53 OG SER A 6 -4.748 -6.868 -23.404 1.00 0.00 O ATOM 0 H SER A 6 -6.097 -5.687 -20.757 1.00 0.00 H new ATOM 0 HA SER A 6 -4.924 -8.348 -21.265 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.078 -5.516 -22.004 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.050 -6.915 -22.242 1.00 0.00 H new ATOM 0 HG SER A 6 -4.289 -6.404 -24.135 1.00 0.00 H new ATOM 59 N GLY A 7 -3.839 -6.031 -19.170 1.00 0.00 N ATOM 60 CA GLY A 7 -3.035 -5.843 -17.976 1.00 0.00 C ATOM 61 C GLY A 7 -2.044 -4.705 -18.118 1.00 0.00 C ATOM 62 O GLY A 7 -2.245 -3.793 -18.922 1.00 0.00 O ATOM 0 H GLY A 7 -4.329 -5.197 -19.493 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.690 -5.646 -17.128 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.496 -6.765 -17.756 1.00 0.00 H new ATOM 66 N LYS A 8 -0.972 -4.754 -17.335 1.00 0.00 N ATOM 67 CA LYS A 8 0.054 -3.719 -17.377 1.00 0.00 C ATOM 68 C LYS A 8 1.327 -4.185 -16.677 1.00 0.00 C ATOM 69 O LYS A 8 1.342 -5.234 -16.033 1.00 0.00 O ATOM 70 CB LYS A 8 -0.459 -2.436 -16.720 1.00 0.00 C ATOM 71 CG LYS A 8 -0.889 -2.623 -15.275 1.00 0.00 C ATOM 72 CD LYS A 8 -2.016 -1.673 -14.901 1.00 0.00 C ATOM 73 CE LYS A 8 -3.379 -2.292 -15.168 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.743 -2.232 -16.611 1.00 0.00 N ATOM 0 H LYS A 8 -0.791 -5.500 -16.663 1.00 0.00 H new ATOM 0 HA LYS A 8 0.287 -3.517 -18.422 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.323 -1.678 -16.762 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.303 -2.055 -17.295 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.213 -3.652 -15.121 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.037 -2.455 -14.616 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.936 -1.409 -13.847 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.918 -0.748 -15.470 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.377 -3.330 -14.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.135 -1.771 -14.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.718 -1.884 -16.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.094 -1.587 -17.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.671 -3.182 -17.027 1.00 0.00 H new ATOM 88 N GLN A 9 2.391 -3.401 -16.809 1.00 0.00 N ATOM 89 CA GLN A 9 3.668 -3.735 -16.188 1.00 0.00 C ATOM 90 C GLN A 9 3.638 -3.443 -14.691 1.00 0.00 C ATOM 91 O GLN A 9 3.555 -2.287 -14.276 1.00 0.00 O ATOM 92 CB GLN A 9 4.802 -2.951 -16.851 1.00 0.00 C ATOM 93 CG GLN A 9 5.133 -3.429 -18.255 1.00 0.00 C ATOM 94 CD GLN A 9 5.281 -4.936 -18.339 1.00 0.00 C ATOM 95 OE1 GLN A 9 4.319 -5.651 -18.619 1.00 0.00 O ATOM 96 NE2 GLN A 9 6.491 -5.426 -18.095 1.00 0.00 N ATOM 0 H GLN A 9 2.395 -2.530 -17.340 1.00 0.00 H new ATOM 0 HA GLN A 9 3.844 -4.802 -16.328 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.529 -1.897 -16.890 1.00 0.00 H new ATOM 0 HB3 GLN A 9 5.695 -3.026 -16.231 1.00 0.00 H new ATOM 0 HG2 GLN A 9 4.348 -3.106 -18.939 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.058 -2.958 -18.586 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.260 -4.796 -17.867 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.651 -6.432 -18.136 1.00 0.00 H new ATOM 105 N ALA A 10 3.706 -4.498 -13.886 1.00 0.00 N ATOM 106 CA ALA A 10 3.689 -4.354 -12.435 1.00 0.00 C ATOM 107 C ALA A 10 4.573 -5.404 -11.770 1.00 0.00 C ATOM 108 O ALA A 10 5.201 -6.220 -12.443 1.00 0.00 O ATOM 109 CB ALA A 10 2.264 -4.452 -11.913 1.00 0.00 C ATOM 0 H ALA A 10 3.773 -5.462 -14.214 1.00 0.00 H new ATOM 0 HA ALA A 10 4.088 -3.371 -12.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.265 -4.343 -10.828 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.659 -3.661 -12.356 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.845 -5.422 -12.179 1.00 0.00 H new ATOM 115 N LYS A 11 4.616 -5.377 -10.442 1.00 0.00 N ATOM 116 CA LYS A 11 5.422 -6.327 -9.683 1.00 0.00 C ATOM 117 C LYS A 11 4.815 -6.578 -8.307 1.00 0.00 C ATOM 118 O LYS A 11 4.177 -5.697 -7.730 1.00 0.00 O ATOM 119 CB LYS A 11 6.853 -5.807 -9.534 1.00 0.00 C ATOM 120 CG LYS A 11 6.955 -4.527 -8.723 1.00 0.00 C ATOM 121 CD LYS A 11 8.309 -4.401 -8.048 1.00 0.00 C ATOM 122 CE LYS A 11 8.579 -2.971 -7.601 1.00 0.00 C ATOM 123 NZ LYS A 11 9.765 -2.885 -6.705 1.00 0.00 N ATOM 0 H LYS A 11 4.102 -4.708 -9.869 1.00 0.00 H new ATOM 0 HA LYS A 11 5.439 -7.270 -10.230 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.463 -6.577 -9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.272 -5.633 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.791 -3.669 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.168 -4.510 -7.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.350 -5.067 -7.186 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.091 -4.722 -8.736 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.738 -2.341 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.703 -2.581 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.916 -1.895 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.603 -3.466 -5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.606 -3.233 -7.208 1.00 0.00 H new ATOM 137 N ILE A 12 5.019 -7.783 -7.785 1.00 0.00 N ATOM 138 CA ILE A 12 4.493 -8.147 -6.476 1.00 0.00 C ATOM 139 C ILE A 12 5.589 -8.116 -5.416 1.00 0.00 C ATOM 140 O ILE A 12 6.724 -8.520 -5.670 1.00 0.00 O ATOM 141 CB ILE A 12 3.852 -9.547 -6.495 1.00 0.00 C ATOM 142 CG1 ILE A 12 2.890 -9.676 -7.679 1.00 0.00 C ATOM 143 CG2 ILE A 12 3.128 -9.818 -5.185 1.00 0.00 C ATOM 144 CD1 ILE A 12 2.135 -10.986 -7.703 1.00 0.00 C ATOM 0 H ILE A 12 5.545 -8.524 -8.249 1.00 0.00 H new ATOM 0 HA ILE A 12 3.729 -7.411 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 12 4.642 -10.289 -6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.175 -8.854 -7.647 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.453 -9.573 -8.607 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.681 -10.812 -5.215 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.838 -9.764 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.346 -9.072 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.472 -11.008 -8.568 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.843 -11.813 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.545 -11.083 -6.792 1.00 0.00 H new ATOM 156 N HIS A 13 5.241 -7.637 -4.226 1.00 0.00 N ATOM 157 CA HIS A 13 6.195 -7.555 -3.125 1.00 0.00 C ATOM 158 C HIS A 13 5.968 -8.685 -2.126 1.00 0.00 C ATOM 159 O HIS A 13 4.961 -8.707 -1.416 1.00 0.00 O ATOM 160 CB HIS A 13 6.079 -6.204 -2.421 1.00 0.00 C ATOM 161 CG HIS A 13 6.073 -5.037 -3.360 1.00 0.00 C ATOM 162 ND1 HIS A 13 6.753 -3.864 -3.109 1.00 0.00 N ATOM 163 CD2 HIS A 13 5.465 -4.868 -4.557 1.00 0.00 C ATOM 164 CE1 HIS A 13 6.562 -3.024 -4.109 1.00 0.00 C ATOM 165 NE2 HIS A 13 5.785 -3.609 -5.003 1.00 0.00 N ATOM 0 H HIS A 13 4.306 -7.300 -3.999 1.00 0.00 H new ATOM 0 HA HIS A 13 7.199 -7.655 -3.538 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.163 -6.189 -1.830 1.00 0.00 H new ATOM 0 HB3 HIS A 13 6.910 -6.094 -1.724 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.844 -5.589 -5.067 1.00 0.00 H new ATOM 0 HE1 HIS A 13 6.971 -2.027 -4.184 1.00 0.00 H new ATOM 0 HE2 HIS A 13 5.474 -3.194 -5.881 1.00 0.00 H new ATOM 173 N TYR A 14 6.908 -9.622 -2.075 1.00 0.00 N ATOM 174 CA TYR A 14 6.808 -10.756 -1.164 1.00 0.00 C ATOM 175 C TYR A 14 7.264 -10.369 0.240 1.00 0.00 C ATOM 176 O TYR A 14 8.137 -11.015 0.820 1.00 0.00 O ATOM 177 CB TYR A 14 7.647 -11.926 -1.680 1.00 0.00 C ATOM 178 CG TYR A 14 7.258 -12.384 -3.068 1.00 0.00 C ATOM 179 CD1 TYR A 14 5.928 -12.610 -3.400 1.00 0.00 C ATOM 180 CD2 TYR A 14 8.222 -12.591 -4.048 1.00 0.00 C ATOM 181 CE1 TYR A 14 5.569 -13.028 -4.666 1.00 0.00 C ATOM 182 CE2 TYR A 14 7.871 -13.007 -5.317 1.00 0.00 C ATOM 183 CZ TYR A 14 6.544 -13.225 -5.622 1.00 0.00 C ATOM 184 OH TYR A 14 6.190 -13.642 -6.885 1.00 0.00 O ATOM 0 H TYR A 14 7.748 -9.619 -2.654 1.00 0.00 H new ATOM 0 HA TYR A 14 5.762 -11.060 -1.116 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.698 -11.635 -1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.550 -12.764 -0.990 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.162 -12.456 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 14 9.263 -12.424 -3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.530 -13.200 -4.907 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.632 -13.161 -6.067 1.00 0.00 H new ATOM 0 HH TYR A 14 6.995 -13.732 -7.437 1.00 0.00 H new ATOM 194 N ILE A 15 6.666 -9.312 0.778 1.00 0.00 N ATOM 195 CA ILE A 15 7.009 -8.840 2.115 1.00 0.00 C ATOM 196 C ILE A 15 6.125 -9.492 3.171 1.00 0.00 C ATOM 197 O ILE A 15 4.918 -9.647 2.979 1.00 0.00 O ATOM 198 CB ILE A 15 6.875 -7.309 2.222 1.00 0.00 C ATOM 199 CG1 ILE A 15 8.165 -6.629 1.761 1.00 0.00 C ATOM 200 CG2 ILE A 15 6.538 -6.906 3.649 1.00 0.00 C ATOM 201 CD1 ILE A 15 8.158 -6.248 0.297 1.00 0.00 C ATOM 0 H ILE A 15 5.942 -8.766 0.310 1.00 0.00 H new ATOM 0 HA ILE A 15 8.048 -9.119 2.292 1.00 0.00 H new ATOM 0 HB ILE A 15 6.063 -6.983 1.572 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.328 -5.733 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 15 9.006 -7.297 1.950 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.447 -5.821 3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.595 -7.367 3.944 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.330 -7.241 4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.104 -5.771 0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.026 -7.143 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.339 -5.555 0.105 1.00 0.00 H new ATOM 213 N LYS A 16 6.732 -9.871 4.291 1.00 0.00 N ATOM 214 CA LYS A 16 6.001 -10.504 5.383 1.00 0.00 C ATOM 215 C LYS A 16 5.067 -11.589 4.854 1.00 0.00 C ATOM 216 O LYS A 16 4.062 -11.917 5.484 1.00 0.00 O ATOM 217 CB LYS A 16 5.195 -9.458 6.158 1.00 0.00 C ATOM 218 CG LYS A 16 6.056 -8.388 6.806 1.00 0.00 C ATOM 219 CD LYS A 16 6.876 -8.951 7.955 1.00 0.00 C ATOM 220 CE LYS A 16 8.195 -8.209 8.114 1.00 0.00 C ATOM 221 NZ LYS A 16 9.260 -8.776 7.242 1.00 0.00 N ATOM 0 H LYS A 16 7.730 -9.751 4.466 1.00 0.00 H new ATOM 0 HA LYS A 16 6.726 -10.966 6.053 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.486 -8.982 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.611 -9.960 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.723 -7.955 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.421 -7.581 7.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.304 -8.881 8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.071 -10.009 7.780 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.050 -7.156 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.515 -8.256 9.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.142 -8.243 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.416 -9.774 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.967 -8.708 6.247 1.00 0.00 H new ATOM 235 N ASN A 17 5.408 -12.145 3.696 1.00 0.00 N ATOM 236 CA ASN A 17 4.601 -13.194 3.084 1.00 0.00 C ATOM 237 C ASN A 17 3.327 -12.616 2.477 1.00 0.00 C ATOM 238 O ASN A 17 2.270 -13.249 2.506 1.00 0.00 O ATOM 239 CB ASN A 17 4.247 -14.262 4.121 1.00 0.00 C ATOM 240 CG ASN A 17 4.095 -15.639 3.503 1.00 0.00 C ATOM 241 OD1 ASN A 17 4.784 -15.981 2.542 1.00 0.00 O ATOM 242 ND2 ASN A 17 3.187 -16.437 4.054 1.00 0.00 N ATOM 0 H ASN A 17 6.238 -11.886 3.163 1.00 0.00 H new ATOM 0 HA ASN A 17 5.187 -13.651 2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.023 -14.293 4.886 1.00 0.00 H new ATOM 0 HB3 ASN A 17 3.318 -13.986 4.620 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.039 -17.375 3.681 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.638 -16.112 4.850 1.00 0.00 H new ATOM 249 N HIS A 18 3.434 -11.411 1.926 1.00 0.00 N ATOM 250 CA HIS A 18 2.290 -10.748 1.310 1.00 0.00 C ATOM 251 C HIS A 18 2.483 -10.621 -0.197 1.00 0.00 C ATOM 252 O HIS A 18 3.508 -11.035 -0.738 1.00 0.00 O ATOM 253 CB HIS A 18 2.082 -9.365 1.928 1.00 0.00 C ATOM 254 CG HIS A 18 1.271 -9.388 3.188 1.00 0.00 C ATOM 255 ND1 HIS A 18 -0.105 -9.308 3.198 1.00 0.00 N ATOM 256 CD2 HIS A 18 1.650 -9.484 4.483 1.00 0.00 C ATOM 257 CE1 HIS A 18 -0.537 -9.351 4.445 1.00 0.00 C ATOM 258 NE2 HIS A 18 0.508 -9.459 5.245 1.00 0.00 N ATOM 0 H HIS A 18 4.301 -10.874 1.893 1.00 0.00 H new ATOM 0 HA HIS A 18 1.405 -11.357 1.495 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.055 -8.921 2.140 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.589 -8.721 1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 18 2.663 -9.565 4.849 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.570 -9.306 4.758 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.473 -9.515 6.263 1.00 0.00 H new ATOM 266 N GLU A 19 1.492 -10.044 -0.870 1.00 0.00 N ATOM 267 CA GLU A 19 1.553 -9.864 -2.315 1.00 0.00 C ATOM 268 C GLU A 19 1.263 -8.415 -2.696 1.00 0.00 C ATOM 269 O GLU A 19 0.753 -8.137 -3.781 1.00 0.00 O ATOM 270 CB GLU A 19 0.558 -10.796 -3.011 1.00 0.00 C ATOM 271 CG GLU A 19 0.990 -12.252 -3.017 1.00 0.00 C ATOM 272 CD GLU A 19 1.359 -12.757 -1.636 1.00 0.00 C ATOM 273 OE1 GLU A 19 0.576 -12.526 -0.690 1.00 0.00 O ATOM 274 OE2 GLU A 19 2.430 -13.385 -1.500 1.00 0.00 O ATOM 0 H GLU A 19 0.638 -9.693 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 19 2.562 -10.112 -2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.410 -10.715 -2.516 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.419 -10.463 -4.039 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.184 -12.865 -3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.844 -12.371 -3.683 1.00 0.00 H new ATOM 281 N PHE A 20 1.590 -7.495 -1.795 1.00 0.00 N ATOM 282 CA PHE A 20 1.363 -6.075 -2.034 1.00 0.00 C ATOM 283 C PHE A 20 1.704 -5.705 -3.474 1.00 0.00 C ATOM 284 O PHE A 20 2.811 -5.964 -3.947 1.00 0.00 O ATOM 285 CB PHE A 20 2.199 -5.234 -1.068 1.00 0.00 C ATOM 286 CG PHE A 20 1.809 -5.408 0.372 1.00 0.00 C ATOM 287 CD1 PHE A 20 0.523 -5.116 0.796 1.00 0.00 C ATOM 288 CD2 PHE A 20 2.729 -5.867 1.301 1.00 0.00 C ATOM 289 CE1 PHE A 20 0.161 -5.276 2.120 1.00 0.00 C ATOM 290 CE2 PHE A 20 2.373 -6.029 2.627 1.00 0.00 C ATOM 291 CZ PHE A 20 1.088 -5.734 3.037 1.00 0.00 C ATOM 0 H PHE A 20 2.013 -7.708 -0.892 1.00 0.00 H new ATOM 0 HA PHE A 20 0.306 -5.868 -1.865 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.250 -5.498 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.102 -4.182 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.206 -4.759 0.083 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.735 -6.101 0.986 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.845 -5.044 2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.100 -6.386 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.808 -5.861 4.072 1.00 0.00 H new ATOM 301 N ILE A 21 0.745 -5.099 -4.166 1.00 0.00 N ATOM 302 CA ILE A 21 0.943 -4.693 -5.552 1.00 0.00 C ATOM 303 C ILE A 21 0.729 -3.193 -5.721 1.00 0.00 C ATOM 304 O ILE A 21 -0.279 -2.645 -5.276 1.00 0.00 O ATOM 305 CB ILE A 21 -0.008 -5.446 -6.501 1.00 0.00 C ATOM 306 CG1 ILE A 21 0.492 -6.873 -6.732 1.00 0.00 C ATOM 307 CG2 ILE A 21 -0.135 -4.703 -7.822 1.00 0.00 C ATOM 308 CD1 ILE A 21 -0.224 -7.591 -7.855 1.00 0.00 C ATOM 0 H ILE A 21 -0.177 -4.878 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 21 1.972 -4.942 -5.810 1.00 0.00 H new ATOM 0 HB ILE A 21 -0.994 -5.497 -6.039 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.559 -6.844 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.372 -7.445 -5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.810 -5.247 -8.482 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.532 -3.704 -7.641 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.846 -4.624 -8.291 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.183 -8.597 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.288 -7.652 -7.628 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.083 -7.042 -8.786 1.00 0.00 H new ATOM 320 N ALA A 22 1.684 -2.533 -6.370 1.00 0.00 N ATOM 321 CA ALA A 22 1.598 -1.097 -6.601 1.00 0.00 C ATOM 322 C ALA A 22 0.243 -0.715 -7.186 1.00 0.00 C ATOM 323 O ALA A 22 -0.127 -1.165 -8.271 1.00 0.00 O ATOM 324 CB ALA A 22 2.719 -0.644 -7.524 1.00 0.00 C ATOM 0 H ALA A 22 2.526 -2.971 -6.745 1.00 0.00 H new ATOM 0 HA ALA A 22 1.705 -0.592 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.643 0.431 -7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.682 -0.874 -7.067 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.637 -1.164 -8.479 1.00 0.00 H new ATOM 330 N THR A 23 -0.498 0.117 -6.459 1.00 0.00 N ATOM 331 CA THR A 23 -1.813 0.557 -6.904 1.00 0.00 C ATOM 332 C THR A 23 -2.093 1.989 -6.460 1.00 0.00 C ATOM 333 O THR A 23 -1.690 2.401 -5.372 1.00 0.00 O ATOM 334 CB THR A 23 -2.925 -0.362 -6.366 1.00 0.00 C ATOM 335 OG1 THR A 23 -4.095 -0.247 -7.184 1.00 0.00 O ATOM 336 CG2 THR A 23 -3.271 -0.009 -4.927 1.00 0.00 C ATOM 0 H THR A 23 -0.208 0.499 -5.559 1.00 0.00 H new ATOM 0 HA THR A 23 -1.810 0.511 -7.993 1.00 0.00 H new ATOM 0 HB THR A 23 -2.561 -1.389 -6.394 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.797 -0.836 -6.836 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.059 -0.672 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.386 -0.126 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.616 1.024 -4.879 1.00 0.00 H new ATOM 344 N PHE A 24 -2.787 2.741 -7.308 1.00 0.00 N ATOM 345 CA PHE A 24 -3.120 4.127 -7.002 1.00 0.00 C ATOM 346 C PHE A 24 -4.463 4.218 -6.283 1.00 0.00 C ATOM 347 O PHE A 24 -5.470 3.690 -6.755 1.00 0.00 O ATOM 348 CB PHE A 24 -3.160 4.959 -8.286 1.00 0.00 C ATOM 349 CG PHE A 24 -2.953 6.429 -8.054 1.00 0.00 C ATOM 350 CD1 PHE A 24 -1.804 6.890 -7.435 1.00 0.00 C ATOM 351 CD2 PHE A 24 -3.908 7.349 -8.456 1.00 0.00 C ATOM 352 CE1 PHE A 24 -1.609 8.243 -7.220 1.00 0.00 C ATOM 353 CE2 PHE A 24 -3.720 8.701 -8.244 1.00 0.00 C ATOM 354 CZ PHE A 24 -2.570 9.148 -7.625 1.00 0.00 C ATOM 0 H PHE A 24 -3.129 2.414 -8.212 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.347 4.523 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.392 4.595 -8.969 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.121 4.809 -8.777 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.050 6.185 -7.116 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.810 7.005 -8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -0.708 8.590 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.472 9.408 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.422 10.205 -7.458 1.00 0.00 H new ATOM 364 N PHE A 25 -4.468 4.889 -5.136 1.00 0.00 N ATOM 365 CA PHE A 25 -5.686 5.048 -4.349 1.00 0.00 C ATOM 366 C PHE A 25 -6.207 6.479 -4.437 1.00 0.00 C ATOM 367 O PHE A 25 -5.797 7.349 -3.672 1.00 0.00 O ATOM 368 CB PHE A 25 -5.426 4.677 -2.887 1.00 0.00 C ATOM 369 CG PHE A 25 -4.616 3.422 -2.722 1.00 0.00 C ATOM 370 CD1 PHE A 25 -3.233 3.462 -2.780 1.00 0.00 C ATOM 371 CD2 PHE A 25 -5.241 2.203 -2.510 1.00 0.00 C ATOM 372 CE1 PHE A 25 -2.486 2.308 -2.628 1.00 0.00 C ATOM 373 CE2 PHE A 25 -4.499 1.048 -2.356 1.00 0.00 C ATOM 374 CZ PHE A 25 -3.120 1.100 -2.417 1.00 0.00 C ATOM 0 H PHE A 25 -3.643 5.331 -4.731 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.443 4.378 -4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.907 5.502 -2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.381 4.553 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.732 4.404 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -6.319 2.156 -2.465 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.408 2.352 -2.674 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.997 0.105 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.539 0.197 -2.300 1.00 0.00 H new ATOM 384 N GLY A 26 -7.118 6.713 -5.378 1.00 0.00 N ATOM 385 CA GLY A 26 -7.681 8.040 -5.551 1.00 0.00 C ATOM 386 C GLY A 26 -8.517 8.473 -4.363 1.00 0.00 C ATOM 387 O GLY A 26 -9.014 9.598 -4.324 1.00 0.00 O ATOM 0 H GLY A 26 -7.476 6.008 -6.023 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.874 8.757 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.297 8.056 -6.450 1.00 0.00 H new ATOM 391 N GLN A 27 -8.674 7.579 -3.393 1.00 0.00 N ATOM 392 CA GLN A 27 -9.458 7.874 -2.200 1.00 0.00 C ATOM 393 C GLN A 27 -8.677 7.533 -0.935 1.00 0.00 C ATOM 394 O GLN A 27 -7.811 6.657 -0.930 1.00 0.00 O ATOM 395 CB GLN A 27 -10.776 7.098 -2.225 1.00 0.00 C ATOM 396 CG GLN A 27 -10.615 5.617 -1.927 1.00 0.00 C ATOM 397 CD GLN A 27 -11.850 5.012 -1.289 1.00 0.00 C ATOM 398 OE1 GLN A 27 -12.967 5.487 -1.499 1.00 0.00 O ATOM 399 NE2 GLN A 27 -11.655 3.959 -0.505 1.00 0.00 N ATOM 0 H GLN A 27 -8.268 6.643 -3.410 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.674 8.942 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.459 7.535 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.238 7.215 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.392 5.086 -2.853 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.762 5.474 -1.264 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.712 3.599 -0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.448 3.510 -0.048 1.00 0.00 H new ATOM 408 N PRO A 28 -8.987 8.238 0.162 1.00 0.00 N ATOM 409 CA PRO A 28 -8.325 8.027 1.452 1.00 0.00 C ATOM 410 C PRO A 28 -8.702 6.692 2.085 1.00 0.00 C ATOM 411 O PRO A 28 -9.704 6.590 2.795 1.00 0.00 O ATOM 412 CB PRO A 28 -8.837 9.188 2.309 1.00 0.00 C ATOM 413 CG PRO A 28 -10.147 9.557 1.702 1.00 0.00 C ATOM 414 CD PRO A 28 -10.008 9.298 0.228 1.00 0.00 C ATOM 0 HA PRO A 28 -7.240 7.999 1.353 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -8.953 8.890 3.351 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.143 10.028 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.956 8.963 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.385 10.603 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.951 8.976 -0.214 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.694 10.193 -0.309 1.00 0.00 H new ATOM 422 N THR A 29 -7.894 5.668 1.824 1.00 0.00 N ATOM 423 CA THR A 29 -8.144 4.339 2.368 1.00 0.00 C ATOM 424 C THR A 29 -7.556 4.199 3.768 1.00 0.00 C ATOM 425 O THR A 29 -6.524 4.793 4.081 1.00 0.00 O ATOM 426 CB THR A 29 -7.553 3.242 1.462 1.00 0.00 C ATOM 427 OG1 THR A 29 -7.803 3.556 0.087 1.00 0.00 O ATOM 428 CG2 THR A 29 -8.153 1.885 1.796 1.00 0.00 C ATOM 0 H THR A 29 -7.061 5.734 1.239 1.00 0.00 H new ATOM 0 HA THR A 29 -9.226 4.215 2.418 1.00 0.00 H new ATOM 0 HB THR A 29 -6.478 3.198 1.634 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.423 2.855 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.721 1.126 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.936 1.637 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.232 1.918 1.649 1.00 0.00 H new ATOM 436 N PHE A 30 -8.218 3.407 4.605 1.00 0.00 N ATOM 437 CA PHE A 30 -7.760 3.189 5.973 1.00 0.00 C ATOM 438 C PHE A 30 -6.551 2.258 5.999 1.00 0.00 C ATOM 439 O PHE A 30 -6.656 1.076 5.671 1.00 0.00 O ATOM 440 CB PHE A 30 -8.888 2.602 6.823 1.00 0.00 C ATOM 441 CG PHE A 30 -8.618 2.659 8.300 1.00 0.00 C ATOM 442 CD1 PHE A 30 -8.590 3.874 8.965 1.00 0.00 C ATOM 443 CD2 PHE A 30 -8.394 1.498 9.021 1.00 0.00 C ATOM 444 CE1 PHE A 30 -8.341 3.929 10.323 1.00 0.00 C ATOM 445 CE2 PHE A 30 -8.145 1.548 10.381 1.00 0.00 C ATOM 446 CZ PHE A 30 -8.120 2.765 11.032 1.00 0.00 C ATOM 0 H PHE A 30 -9.072 2.906 4.361 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.464 4.152 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -9.811 3.141 6.609 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.050 1.564 6.531 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.765 4.788 8.416 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.414 0.543 8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.319 4.882 10.830 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.970 0.636 10.933 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.928 2.807 12.094 1.00 0.00 H new ATOM 456 N CYS A 31 -5.403 2.800 6.391 1.00 0.00 N ATOM 457 CA CYS A 31 -4.173 2.020 6.459 1.00 0.00 C ATOM 458 C CYS A 31 -4.275 0.936 7.528 1.00 0.00 C ATOM 459 O CYS A 31 -5.133 0.997 8.409 1.00 0.00 O ATOM 460 CB CYS A 31 -2.982 2.934 6.756 1.00 0.00 C ATOM 461 SG CYS A 31 -1.360 2.166 6.442 1.00 0.00 S ATOM 0 H CYS A 31 -5.299 3.777 6.666 1.00 0.00 H new ATOM 0 HA CYS A 31 -4.022 1.539 5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.069 3.835 6.149 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.028 3.246 7.799 1.00 0.00 H new ATOM 466 N SER A 32 -3.394 -0.055 7.444 1.00 0.00 N ATOM 467 CA SER A 32 -3.387 -1.156 8.401 1.00 0.00 C ATOM 468 C SER A 32 -2.197 -1.043 9.349 1.00 0.00 C ATOM 469 O SER A 32 -2.101 -1.774 10.335 1.00 0.00 O ATOM 470 CB SER A 32 -3.344 -2.497 7.667 1.00 0.00 C ATOM 471 OG SER A 32 -3.226 -3.575 8.581 1.00 0.00 O ATOM 0 H SER A 32 -2.675 -0.119 6.723 1.00 0.00 H new ATOM 0 HA SER A 32 -4.304 -1.101 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.249 -2.618 7.071 1.00 0.00 H new ATOM 0 HB3 SER A 32 -2.502 -2.509 6.974 1.00 0.00 H new ATOM 0 HG SER A 32 -2.772 -3.267 9.393 1.00 0.00 H new ATOM 477 N VAL A 33 -1.290 -0.120 9.043 1.00 0.00 N ATOM 478 CA VAL A 33 -0.106 0.090 9.867 1.00 0.00 C ATOM 479 C VAL A 33 -0.248 1.344 10.724 1.00 0.00 C ATOM 480 O VAL A 33 -0.177 1.281 11.951 1.00 0.00 O ATOM 481 CB VAL A 33 1.164 0.213 9.005 1.00 0.00 C ATOM 482 CG1 VAL A 33 2.332 0.712 9.841 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.496 -1.120 8.353 1.00 0.00 C ATOM 0 H VAL A 33 -1.353 0.494 8.231 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.013 -0.782 10.515 1.00 0.00 H new ATOM 0 HB VAL A 33 0.977 0.941 8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.220 0.792 9.214 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.091 1.691 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.524 0.011 10.653 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.396 -1.015 7.748 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.664 -1.871 9.125 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.666 -1.431 7.718 1.00 0.00 H new ATOM 493 N CYS A 34 -0.449 2.482 10.069 1.00 0.00 N ATOM 494 CA CYS A 34 -0.602 3.751 10.768 1.00 0.00 C ATOM 495 C CYS A 34 -2.066 4.182 10.802 1.00 0.00 C ATOM 496 O CYS A 34 -2.425 5.149 11.472 1.00 0.00 O ATOM 497 CB CYS A 34 0.244 4.834 10.094 1.00 0.00 C ATOM 498 SG CYS A 34 -0.267 5.224 8.390 1.00 0.00 S ATOM 0 H CYS A 34 -0.510 2.551 9.053 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.258 3.615 11.793 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.196 5.743 10.693 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.286 4.513 10.085 1.00 0.00 H new ATOM 503 N LYS A 35 -2.907 3.455 10.074 1.00 0.00 N ATOM 504 CA LYS A 35 -4.332 3.759 10.020 1.00 0.00 C ATOM 505 C LYS A 35 -4.563 5.227 9.678 1.00 0.00 C ATOM 506 O LYS A 35 -5.265 5.938 10.396 1.00 0.00 O ATOM 507 CB LYS A 35 -4.996 3.425 11.358 1.00 0.00 C ATOM 508 CG LYS A 35 -5.014 1.939 11.674 1.00 0.00 C ATOM 509 CD LYS A 35 -3.775 1.518 12.444 1.00 0.00 C ATOM 510 CE LYS A 35 -3.950 0.145 13.074 1.00 0.00 C ATOM 511 NZ LYS A 35 -3.176 0.011 14.340 1.00 0.00 N ATOM 0 H LYS A 35 -2.626 2.651 9.513 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.779 3.148 9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.472 3.951 12.156 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -6.020 3.798 11.349 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.904 1.701 12.257 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.078 1.370 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.916 1.505 11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.562 2.252 13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.007 -0.030 13.275 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.628 -0.621 12.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.322 -0.939 14.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.164 0.153 14.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.500 0.726 15.023 1.00 0.00 H new ATOM 525 N ASP A 36 -3.970 5.673 8.576 1.00 0.00 N ATOM 526 CA ASP A 36 -4.113 7.056 8.137 1.00 0.00 C ATOM 527 C ASP A 36 -5.006 7.145 6.903 1.00 0.00 C ATOM 528 O ASP A 36 -5.576 6.145 6.463 1.00 0.00 O ATOM 529 CB ASP A 36 -2.742 7.662 7.834 1.00 0.00 C ATOM 530 CG ASP A 36 -2.702 9.156 8.085 1.00 0.00 C ATOM 531 OD1 ASP A 36 -3.286 9.605 9.093 1.00 0.00 O ATOM 532 OD2 ASP A 36 -2.085 9.879 7.273 1.00 0.00 O ATOM 0 H ASP A 36 -3.386 5.097 7.970 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.581 7.621 8.944 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.987 7.173 8.450 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.482 7.464 6.794 1.00 0.00 H new ATOM 537 N PHE A 37 -5.127 8.348 6.351 1.00 0.00 N ATOM 538 CA PHE A 37 -5.952 8.568 5.170 1.00 0.00 C ATOM 539 C PHE A 37 -5.410 7.790 3.974 1.00 0.00 C ATOM 540 O PHE A 37 -6.171 7.212 3.198 1.00 0.00 O ATOM 541 CB PHE A 37 -6.015 10.059 4.835 1.00 0.00 C ATOM 542 CG PHE A 37 -6.259 10.933 6.033 1.00 0.00 C ATOM 543 CD1 PHE A 37 -7.546 11.142 6.502 1.00 0.00 C ATOM 544 CD2 PHE A 37 -5.203 11.543 6.689 1.00 0.00 C ATOM 545 CE1 PHE A 37 -7.775 11.945 7.605 1.00 0.00 C ATOM 546 CE2 PHE A 37 -5.425 12.346 7.792 1.00 0.00 C ATOM 547 CZ PHE A 37 -6.713 12.548 8.249 1.00 0.00 C ATOM 0 H PHE A 37 -4.664 9.186 6.703 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.957 8.209 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.079 10.357 4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.808 10.226 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -8.380 10.673 6.001 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.194 11.390 6.335 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.783 12.100 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.593 12.815 8.296 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.889 13.177 9.109 1.00 0.00 H new ATOM 557 N VAL A 38 -4.088 7.780 3.832 1.00 0.00 N ATOM 558 CA VAL A 38 -3.442 7.073 2.733 1.00 0.00 C ATOM 559 C VAL A 38 -3.820 7.685 1.389 1.00 0.00 C ATOM 560 O VAL A 38 -4.250 6.981 0.474 1.00 0.00 O ATOM 561 CB VAL A 38 -3.817 5.579 2.728 1.00 0.00 C ATOM 562 CG1 VAL A 38 -3.010 4.829 1.680 1.00 0.00 C ATOM 563 CG2 VAL A 38 -3.608 4.974 4.108 1.00 0.00 C ATOM 0 H VAL A 38 -3.444 8.254 4.465 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.367 7.169 2.884 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.873 5.488 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.289 3.775 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.215 5.248 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.947 4.926 1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.878 3.918 4.087 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.561 5.076 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.235 5.494 4.832 1.00 0.00 H new ATOM 573 N TRP A 39 -3.659 8.999 1.276 1.00 0.00 N ATOM 574 CA TRP A 39 -3.983 9.705 0.043 1.00 0.00 C ATOM 575 C TRP A 39 -2.909 10.733 -0.294 1.00 0.00 C ATOM 576 O TRP A 39 -2.398 11.423 0.588 1.00 0.00 O ATOM 577 CB TRP A 39 -5.343 10.393 0.168 1.00 0.00 C ATOM 578 CG TRP A 39 -5.271 11.736 0.828 1.00 0.00 C ATOM 579 CD1 TRP A 39 -4.513 12.078 1.911 1.00 0.00 C ATOM 580 CD2 TRP A 39 -5.986 12.917 0.447 1.00 0.00 C ATOM 581 NE1 TRP A 39 -4.714 13.400 2.228 1.00 0.00 N ATOM 582 CE2 TRP A 39 -5.613 13.937 1.344 1.00 0.00 C ATOM 583 CE3 TRP A 39 -6.903 13.213 -0.564 1.00 0.00 C ATOM 584 CZ2 TRP A 39 -6.126 15.229 1.259 1.00 0.00 C ATOM 585 CZ3 TRP A 39 -7.413 14.495 -0.648 1.00 0.00 C ATOM 586 CH2 TRP A 39 -7.022 15.490 0.259 1.00 0.00 C ATOM 0 H TRP A 39 -3.306 9.596 2.024 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.026 8.974 -0.764 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.777 10.507 -0.825 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.015 9.752 0.738 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.852 11.408 2.441 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -4.267 13.900 2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -7.208 12.453 -1.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -5.827 15.997 1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.124 14.734 -1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.437 16.483 0.166 1.00 0.00 H new ATOM 597 N GLY A 40 -2.570 10.831 -1.576 1.00 0.00 N ATOM 598 CA GLY A 40 -1.558 11.778 -2.006 1.00 0.00 C ATOM 599 C GLY A 40 -1.695 12.150 -3.469 1.00 0.00 C ATOM 600 O GLY A 40 -1.662 11.282 -4.343 1.00 0.00 O ATOM 0 H GLY A 40 -2.978 10.271 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.627 12.680 -1.397 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.570 11.352 -1.834 1.00 0.00 H new ATOM 604 N LEU A 41 -1.851 13.442 -3.737 1.00 0.00 N ATOM 605 CA LEU A 41 -1.996 13.926 -5.106 1.00 0.00 C ATOM 606 C LEU A 41 -0.986 13.256 -6.031 1.00 0.00 C ATOM 607 O LEU A 41 -1.332 12.804 -7.122 1.00 0.00 O ATOM 608 CB LEU A 41 -1.817 15.444 -5.151 1.00 0.00 C ATOM 609 CG LEU A 41 -2.595 16.179 -6.244 1.00 0.00 C ATOM 610 CD1 LEU A 41 -2.174 15.689 -7.621 1.00 0.00 C ATOM 611 CD2 LEU A 41 -4.093 15.999 -6.046 1.00 0.00 C ATOM 0 H LEU A 41 -1.880 14.172 -3.026 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.999 13.673 -5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.112 15.853 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.757 15.661 -5.279 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.365 17.242 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.738 16.223 -8.385 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.109 15.872 -7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.373 14.621 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.630 16.529 -6.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.341 14.938 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.383 16.401 -5.075 1.00 0.00 H new ATOM 623 N ASN A 42 0.265 13.193 -5.586 1.00 0.00 N ATOM 624 CA ASN A 42 1.326 12.576 -6.373 1.00 0.00 C ATOM 625 C ASN A 42 2.093 11.549 -5.545 1.00 0.00 C ATOM 626 O ASN A 42 3.320 11.470 -5.613 1.00 0.00 O ATOM 627 CB ASN A 42 2.287 13.644 -6.899 1.00 0.00 C ATOM 628 CG ASN A 42 1.656 14.515 -7.967 1.00 0.00 C ATOM 629 OD1 ASN A 42 1.118 15.583 -7.675 1.00 0.00 O ATOM 630 ND2 ASN A 42 1.718 14.061 -9.214 1.00 0.00 N ATOM 0 H ASN A 42 0.568 13.562 -4.685 1.00 0.00 H new ATOM 0 HA ASN A 42 0.865 12.064 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.617 14.271 -6.071 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.175 13.161 -7.306 1.00 0.00 H new ATOM 0 HD21 ASN A 42 1.310 14.604 -9.975 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.174 13.170 -9.410 1.00 0.00 H new ATOM 637 N LYS A 43 1.361 10.764 -4.762 1.00 0.00 N ATOM 638 CA LYS A 43 1.970 9.741 -3.920 1.00 0.00 C ATOM 639 C LYS A 43 1.085 8.500 -3.847 1.00 0.00 C ATOM 640 O LYS A 43 -0.056 8.567 -3.391 1.00 0.00 O ATOM 641 CB LYS A 43 2.214 10.289 -2.513 1.00 0.00 C ATOM 642 CG LYS A 43 2.897 9.298 -1.585 1.00 0.00 C ATOM 643 CD LYS A 43 3.116 9.890 -0.202 1.00 0.00 C ATOM 644 CE LYS A 43 4.233 9.170 0.541 1.00 0.00 C ATOM 645 NZ LYS A 43 5.551 9.352 -0.127 1.00 0.00 N ATOM 0 H LYS A 43 0.345 10.817 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 43 2.925 9.460 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.825 11.189 -2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.260 10.585 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.290 8.396 -1.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.855 9.000 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.361 10.948 -0.292 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.193 9.824 0.374 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.289 9.544 1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.001 8.107 0.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.312 9.255 0.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.668 8.630 -0.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.595 10.298 -0.556 1.00 0.00 H new ATOM 659 N GLN A 44 1.621 7.370 -4.296 1.00 0.00 N ATOM 660 CA GLN A 44 0.879 6.115 -4.280 1.00 0.00 C ATOM 661 C GLN A 44 1.316 5.239 -3.110 1.00 0.00 C ATOM 662 O GLN A 44 2.310 5.526 -2.444 1.00 0.00 O ATOM 663 CB GLN A 44 1.080 5.363 -5.598 1.00 0.00 C ATOM 664 CG GLN A 44 2.497 4.848 -5.795 1.00 0.00 C ATOM 665 CD GLN A 44 3.437 5.916 -6.317 1.00 0.00 C ATOM 666 OE1 GLN A 44 3.002 6.964 -6.795 1.00 0.00 O ATOM 667 NE2 GLN A 44 4.736 5.655 -6.231 1.00 0.00 N ATOM 0 H GLN A 44 2.565 7.298 -4.675 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.179 6.349 -4.160 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.388 4.522 -5.636 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.824 6.024 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.876 4.467 -4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.482 4.010 -6.492 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.053 4.774 -5.828 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.416 6.336 -6.568 1.00 0.00 H new ATOM 676 N GLY A 45 0.565 4.170 -2.864 1.00 0.00 N ATOM 677 CA GLY A 45 0.890 3.270 -1.773 1.00 0.00 C ATOM 678 C GLY A 45 0.983 1.825 -2.222 1.00 0.00 C ATOM 679 O GLY A 45 1.474 1.537 -3.314 1.00 0.00 O ATOM 0 H GLY A 45 -0.263 3.911 -3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.839 3.571 -1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.131 3.358 -0.995 1.00 0.00 H new ATOM 683 N TYR A 46 0.511 0.914 -1.379 1.00 0.00 N ATOM 684 CA TYR A 46 0.547 -0.510 -1.692 1.00 0.00 C ATOM 685 C TYR A 46 -0.724 -1.205 -1.216 1.00 0.00 C ATOM 686 O TYR A 46 -1.313 -0.824 -0.203 1.00 0.00 O ATOM 687 CB TYR A 46 1.771 -1.165 -1.050 1.00 0.00 C ATOM 688 CG TYR A 46 3.085 -0.684 -1.623 1.00 0.00 C ATOM 689 CD1 TYR A 46 3.303 -0.666 -2.995 1.00 0.00 C ATOM 690 CD2 TYR A 46 4.110 -0.246 -0.792 1.00 0.00 C ATOM 691 CE1 TYR A 46 4.502 -0.229 -3.523 1.00 0.00 C ATOM 692 CE2 TYR A 46 5.312 0.195 -1.311 1.00 0.00 C ATOM 693 CZ TYR A 46 5.503 0.201 -2.677 1.00 0.00 C ATOM 694 OH TYR A 46 6.699 0.639 -3.198 1.00 0.00 O ATOM 0 H TYR A 46 0.099 1.136 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 46 0.613 -0.616 -2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.758 -0.968 0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.703 -2.245 -1.176 1.00 0.00 H new ATOM 0 HD1 TYR A 46 2.521 -1.000 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.964 -0.251 0.278 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.655 -0.224 -4.592 1.00 0.00 H new ATOM 0 HE2 TYR A 46 6.097 0.533 -0.651 1.00 0.00 H new ATOM 0 HH TYR A 46 7.295 0.908 -2.468 1.00 0.00 H new ATOM 704 N LYS A 47 -1.144 -2.228 -1.952 1.00 0.00 N ATOM 705 CA LYS A 47 -2.344 -2.980 -1.606 1.00 0.00 C ATOM 706 C LYS A 47 -2.193 -4.449 -1.986 1.00 0.00 C ATOM 707 O LYS A 47 -1.801 -4.775 -3.107 1.00 0.00 O ATOM 708 CB LYS A 47 -3.565 -2.383 -2.309 1.00 0.00 C ATOM 709 CG LYS A 47 -4.734 -3.347 -2.422 1.00 0.00 C ATOM 710 CD LYS A 47 -5.967 -2.664 -2.989 1.00 0.00 C ATOM 711 CE LYS A 47 -6.832 -2.073 -1.887 1.00 0.00 C ATOM 712 NZ LYS A 47 -7.593 -0.883 -2.358 1.00 0.00 N ATOM 0 H LYS A 47 -0.670 -2.556 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.486 -2.915 -0.527 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.888 -1.495 -1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.275 -2.058 -3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.455 -4.185 -3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.964 -3.758 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.663 -1.875 -3.677 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.550 -3.383 -3.565 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.528 -2.830 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.203 -1.791 -1.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.327 -0.642 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.944 -0.078 -2.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -8.040 -1.096 -3.272 1.00 0.00 H new ATOM 726 N CYS A 48 -2.509 -5.334 -1.046 1.00 0.00 N ATOM 727 CA CYS A 48 -2.410 -6.770 -1.281 1.00 0.00 C ATOM 728 C CYS A 48 -3.644 -7.287 -2.014 1.00 0.00 C ATOM 729 O CYS A 48 -4.772 -7.110 -1.553 1.00 0.00 O ATOM 730 CB CYS A 48 -2.240 -7.514 0.045 1.00 0.00 C ATOM 731 SG CYS A 48 -1.742 -9.257 -0.141 1.00 0.00 S ATOM 0 H CYS A 48 -2.836 -5.082 -0.113 1.00 0.00 H new ATOM 0 HA CYS A 48 -1.536 -6.952 -1.906 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.494 -6.996 0.647 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.179 -7.472 0.596 1.00 0.00 H new ATOM 736 N ARG A 49 -3.421 -7.926 -3.157 1.00 0.00 N ATOM 737 CA ARG A 49 -4.515 -8.469 -3.955 1.00 0.00 C ATOM 738 C ARG A 49 -5.013 -9.787 -3.370 1.00 0.00 C ATOM 739 O ARG A 49 -5.791 -10.502 -4.000 1.00 0.00 O ATOM 740 CB ARG A 49 -4.064 -8.678 -5.401 1.00 0.00 C ATOM 741 CG ARG A 49 -2.612 -9.111 -5.531 1.00 0.00 C ATOM 742 CD ARG A 49 -2.337 -9.733 -6.891 1.00 0.00 C ATOM 743 NE ARG A 49 -3.329 -10.744 -7.242 1.00 0.00 N ATOM 744 CZ ARG A 49 -4.427 -10.484 -7.943 1.00 0.00 C ATOM 745 NH1 ARG A 49 -4.670 -9.251 -8.366 1.00 0.00 N ATOM 746 NH2 ARG A 49 -5.283 -11.458 -8.224 1.00 0.00 N ATOM 0 H ARG A 49 -2.493 -8.081 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.335 -7.751 -3.938 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -4.701 -9.430 -5.866 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.209 -7.751 -5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.960 -8.250 -5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.373 -9.829 -4.746 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.331 -8.952 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.345 -10.184 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.171 -11.703 -6.932 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.013 -8.500 -8.153 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.514 -9.053 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.098 -12.408 -7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.126 -11.257 -8.762 1.00 0.00 H new ATOM 760 N GLN A 50 -4.556 -10.103 -2.162 1.00 0.00 N ATOM 761 CA GLN A 50 -4.954 -11.336 -1.493 1.00 0.00 C ATOM 762 C GLN A 50 -5.845 -11.040 -0.291 1.00 0.00 C ATOM 763 O GLN A 50 -6.975 -11.524 -0.210 1.00 0.00 O ATOM 764 CB GLN A 50 -3.719 -12.121 -1.048 1.00 0.00 C ATOM 765 CG GLN A 50 -2.774 -12.468 -2.186 1.00 0.00 C ATOM 766 CD GLN A 50 -3.119 -13.786 -2.850 1.00 0.00 C ATOM 767 OE1 GLN A 50 -2.868 -14.857 -2.296 1.00 0.00 O ATOM 768 NE2 GLN A 50 -3.697 -13.715 -4.043 1.00 0.00 N ATOM 0 H GLN A 50 -3.910 -9.522 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 50 -5.522 -11.938 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.178 -11.538 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.040 -13.042 -0.561 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -2.801 -11.672 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.754 -12.514 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -3.886 -12.806 -4.465 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.952 -14.570 -4.538 1.00 0.00 H new ATOM 777 N CYS A 51 -5.329 -10.244 0.640 1.00 0.00 N ATOM 778 CA CYS A 51 -6.078 -9.885 1.838 1.00 0.00 C ATOM 779 C CYS A 51 -6.730 -8.515 1.681 1.00 0.00 C ATOM 780 O CYS A 51 -7.617 -8.146 2.451 1.00 0.00 O ATOM 781 CB CYS A 51 -5.155 -9.886 3.059 1.00 0.00 C ATOM 782 SG CYS A 51 -3.656 -8.870 2.859 1.00 0.00 S ATOM 0 H CYS A 51 -4.396 -9.836 0.588 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.863 -10.627 1.983 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.713 -9.525 3.923 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.859 -10.912 3.277 1.00 0.00 H new ATOM 787 N ASN A 52 -6.285 -7.765 0.678 1.00 0.00 N ATOM 788 CA ASN A 52 -6.826 -6.436 0.419 1.00 0.00 C ATOM 789 C ASN A 52 -6.444 -5.466 1.533 1.00 0.00 C ATOM 790 O ASN A 52 -7.300 -4.786 2.098 1.00 0.00 O ATOM 791 CB ASN A 52 -8.349 -6.499 0.283 1.00 0.00 C ATOM 792 CG ASN A 52 -8.816 -7.769 -0.404 1.00 0.00 C ATOM 793 OD1 ASN A 52 -9.506 -8.594 0.195 1.00 0.00 O ATOM 794 ND2 ASN A 52 -8.441 -7.929 -1.667 1.00 0.00 N ATOM 0 H ASN A 52 -5.551 -8.055 0.032 1.00 0.00 H new ATOM 0 HA ASN A 52 -6.399 -6.074 -0.516 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -8.802 -6.436 1.272 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.697 -5.634 -0.282 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.725 -8.763 -2.182 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.869 -7.218 -2.123 1.00 0.00 H new ATOM 801 N ALA A 53 -5.153 -5.410 1.843 1.00 0.00 N ATOM 802 CA ALA A 53 -4.656 -4.522 2.888 1.00 0.00 C ATOM 803 C ALA A 53 -3.843 -3.377 2.294 1.00 0.00 C ATOM 804 O ALA A 53 -2.705 -3.567 1.869 1.00 0.00 O ATOM 805 CB ALA A 53 -3.819 -5.304 3.890 1.00 0.00 C ATOM 0 H ALA A 53 -4.432 -5.969 1.386 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.514 -4.092 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.454 -4.629 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.431 -6.083 4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -2.972 -5.761 3.378 1.00 0.00 H new ATOM 811 N ALA A 54 -4.436 -2.188 2.269 1.00 0.00 N ATOM 812 CA ALA A 54 -3.766 -1.011 1.728 1.00 0.00 C ATOM 813 C ALA A 54 -2.880 -0.353 2.780 1.00 0.00 C ATOM 814 O ALA A 54 -3.281 -0.198 3.934 1.00 0.00 O ATOM 815 CB ALA A 54 -4.790 -0.017 1.199 1.00 0.00 C ATOM 0 H ALA A 54 -5.379 -2.014 2.617 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.129 -1.332 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.276 0.857 0.798 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.378 -0.486 0.410 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.451 0.291 2.010 1.00 0.00 H new ATOM 821 N ILE A 55 -1.675 0.032 2.375 1.00 0.00 N ATOM 822 CA ILE A 55 -0.733 0.674 3.283 1.00 0.00 C ATOM 823 C ILE A 55 0.153 1.670 2.542 1.00 0.00 C ATOM 824 O ILE A 55 0.191 1.689 1.312 1.00 0.00 O ATOM 825 CB ILE A 55 0.159 -0.361 3.993 1.00 0.00 C ATOM 826 CG1 ILE A 55 1.133 -0.995 2.998 1.00 0.00 C ATOM 827 CG2 ILE A 55 -0.695 -1.428 4.660 1.00 0.00 C ATOM 828 CD1 ILE A 55 2.320 -1.665 3.656 1.00 0.00 C ATOM 0 H ILE A 55 -1.328 -0.089 1.424 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.325 1.204 4.029 1.00 0.00 H new ATOM 0 HB ILE A 55 0.737 0.148 4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.598 -1.731 2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.493 -0.226 2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.050 -2.152 5.157 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.351 -0.962 5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.297 -1.936 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.967 -2.092 2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.879 -0.929 4.234 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.970 -2.457 4.318 1.00 0.00 H new ATOM 840 N HIS A 56 0.866 2.497 3.300 1.00 0.00 N ATOM 841 CA HIS A 56 1.755 3.495 2.717 1.00 0.00 C ATOM 842 C HIS A 56 3.053 2.852 2.235 1.00 0.00 C ATOM 843 O HIS A 56 3.490 1.835 2.773 1.00 0.00 O ATOM 844 CB HIS A 56 2.063 4.594 3.734 1.00 0.00 C ATOM 845 CG HIS A 56 0.857 5.375 4.155 1.00 0.00 C ATOM 846 ND1 HIS A 56 -0.084 4.890 5.038 1.00 0.00 N ATOM 847 CD2 HIS A 56 0.443 6.617 3.810 1.00 0.00 C ATOM 848 CE1 HIS A 56 -1.027 5.798 5.216 1.00 0.00 C ATOM 849 NE2 HIS A 56 -0.731 6.856 4.482 1.00 0.00 N ATOM 0 H HIS A 56 0.845 2.496 4.320 1.00 0.00 H new ATOM 0 HA HIS A 56 1.249 3.938 1.859 1.00 0.00 H new ATOM 0 HB2 HIS A 56 2.520 4.144 4.615 1.00 0.00 H new ATOM 0 HB3 HIS A 56 2.797 5.277 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.943 7.294 3.133 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.893 5.693 5.853 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -1.284 7.711 4.424 1.00 0.00 H new ATOM 857 N LYS A 57 3.664 3.451 1.220 1.00 0.00 N ATOM 858 CA LYS A 57 4.911 2.939 0.666 1.00 0.00 C ATOM 859 C LYS A 57 5.964 2.774 1.758 1.00 0.00 C ATOM 860 O LYS A 57 6.823 1.895 1.680 1.00 0.00 O ATOM 861 CB LYS A 57 5.434 3.879 -0.423 1.00 0.00 C ATOM 862 CG LYS A 57 6.432 3.224 -1.363 1.00 0.00 C ATOM 863 CD LYS A 57 7.411 4.239 -1.931 1.00 0.00 C ATOM 864 CE LYS A 57 8.528 4.546 -0.946 1.00 0.00 C ATOM 865 NZ LYS A 57 9.603 3.518 -0.986 1.00 0.00 N ATOM 0 H LYS A 57 3.315 4.294 0.763 1.00 0.00 H new ATOM 0 HA LYS A 57 4.710 1.961 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.591 4.253 -1.004 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.904 4.742 0.048 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.980 2.447 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.899 2.735 -2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.837 3.856 -2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.881 5.158 -2.180 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.953 5.524 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.117 4.602 0.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.345 3.765 -0.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.204 2.588 -0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.013 3.481 -1.941 1.00 0.00 H new ATOM 879 N LYS A 58 5.891 3.623 2.776 1.00 0.00 N ATOM 880 CA LYS A 58 6.835 3.570 3.886 1.00 0.00 C ATOM 881 C LYS A 58 6.352 2.609 4.967 1.00 0.00 C ATOM 882 O LYS A 58 7.151 2.046 5.714 1.00 0.00 O ATOM 883 CB LYS A 58 7.032 4.967 4.483 1.00 0.00 C ATOM 884 CG LYS A 58 5.816 5.486 5.230 1.00 0.00 C ATOM 885 CD LYS A 58 6.164 6.685 6.096 1.00 0.00 C ATOM 886 CE LYS A 58 4.938 7.230 6.813 1.00 0.00 C ATOM 887 NZ LYS A 58 5.306 8.193 7.886 1.00 0.00 N ATOM 0 H LYS A 58 5.187 4.357 2.856 1.00 0.00 H new ATOM 0 HA LYS A 58 7.788 3.207 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.884 4.946 5.163 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.281 5.663 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.041 5.764 4.516 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.405 4.692 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.918 6.399 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.602 7.468 5.477 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.284 7.722 6.092 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.373 6.404 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.443 8.542 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.909 7.717 8.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.823 8.994 7.471 1.00 0.00 H new ATOM 901 N CYS A 59 5.038 2.424 5.044 1.00 0.00 N ATOM 902 CA CYS A 59 4.447 1.530 6.031 1.00 0.00 C ATOM 903 C CYS A 59 4.775 0.074 5.712 1.00 0.00 C ATOM 904 O CYS A 59 4.643 -0.804 6.565 1.00 0.00 O ATOM 905 CB CYS A 59 2.931 1.723 6.082 1.00 0.00 C ATOM 906 SG CYS A 59 2.395 3.141 7.093 1.00 0.00 S ATOM 0 H CYS A 59 4.362 2.883 4.433 1.00 0.00 H new ATOM 0 HA CYS A 59 4.871 1.775 7.005 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.558 1.853 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.473 0.816 6.476 1.00 0.00 H new ATOM 911 N ILE A 60 5.203 -0.173 4.479 1.00 0.00 N ATOM 912 CA ILE A 60 5.552 -1.521 4.048 1.00 0.00 C ATOM 913 C ILE A 60 6.735 -2.064 4.842 1.00 0.00 C ATOM 914 O ILE A 60 6.850 -3.270 5.059 1.00 0.00 O ATOM 915 CB ILE A 60 5.894 -1.562 2.546 1.00 0.00 C ATOM 916 CG1 ILE A 60 5.549 -2.932 1.960 1.00 0.00 C ATOM 917 CG2 ILE A 60 7.365 -1.241 2.330 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.714 -3.004 0.458 1.00 0.00 C ATOM 0 H ILE A 60 5.316 0.542 3.761 1.00 0.00 H new ATOM 0 HA ILE A 60 4.678 -2.146 4.230 1.00 0.00 H new ATOM 0 HB ILE A 60 5.299 -0.808 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.183 -3.687 2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.519 -3.179 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.592 -1.274 1.264 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.581 -0.245 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.978 -1.974 2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.452 -4.004 0.111 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.059 -2.272 -0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.750 -2.788 0.195 1.00 0.00 H new ATOM 930 N ASP A 61 7.613 -1.165 5.274 1.00 0.00 N ATOM 931 CA ASP A 61 8.787 -1.553 6.047 1.00 0.00 C ATOM 932 C ASP A 61 8.478 -1.552 7.541 1.00 0.00 C ATOM 933 O ASP A 61 9.343 -1.851 8.365 1.00 0.00 O ATOM 934 CB ASP A 61 9.952 -0.607 5.754 1.00 0.00 C ATOM 935 CG ASP A 61 10.732 -1.015 4.519 1.00 0.00 C ATOM 936 OD1 ASP A 61 10.174 -0.912 3.405 1.00 0.00 O ATOM 937 OD2 ASP A 61 11.898 -1.437 4.664 1.00 0.00 O ATOM 0 H ASP A 61 7.534 -0.163 5.102 1.00 0.00 H new ATOM 0 HA ASP A 61 9.068 -2.564 5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.570 0.405 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.623 -0.584 6.613 1.00 0.00 H new ATOM 942 N LYS A 62 7.241 -1.210 7.885 1.00 0.00 N ATOM 943 CA LYS A 62 6.817 -1.170 9.279 1.00 0.00 C ATOM 944 C LYS A 62 6.018 -2.417 9.642 1.00 0.00 C ATOM 945 O LYS A 62 6.178 -2.973 10.729 1.00 0.00 O ATOM 946 CB LYS A 62 5.974 0.082 9.540 1.00 0.00 C ATOM 947 CG LYS A 62 6.704 1.380 9.240 1.00 0.00 C ATOM 948 CD LYS A 62 7.755 1.685 10.293 1.00 0.00 C ATOM 949 CE LYS A 62 8.067 3.173 10.353 1.00 0.00 C ATOM 950 NZ LYS A 62 6.910 3.962 10.861 1.00 0.00 N ATOM 0 H LYS A 62 6.514 -0.956 7.216 1.00 0.00 H new ATOM 0 HA LYS A 62 7.710 -1.138 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.070 0.034 8.933 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.657 0.086 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.178 1.314 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.987 2.199 9.193 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.404 1.346 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.666 1.130 10.071 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.930 3.337 10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.340 3.527 9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.248 4.871 11.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.241 4.136 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.432 3.431 11.617 1.00 0.00 H new ATOM 964 N ILE A 63 5.161 -2.853 8.725 1.00 0.00 N ATOM 965 CA ILE A 63 4.341 -4.037 8.948 1.00 0.00 C ATOM 966 C ILE A 63 5.098 -5.087 9.754 1.00 0.00 C ATOM 967 O ILE A 63 6.324 -5.178 9.675 1.00 0.00 O ATOM 968 CB ILE A 63 3.878 -4.661 7.619 1.00 0.00 C ATOM 969 CG1 ILE A 63 2.871 -3.743 6.923 1.00 0.00 C ATOM 970 CG2 ILE A 63 3.273 -6.035 7.860 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.475 -4.218 5.543 1.00 0.00 C ATOM 0 H ILE A 63 5.017 -2.404 7.821 1.00 0.00 H new ATOM 0 HA ILE A 63 3.466 -3.712 9.511 1.00 0.00 H new ATOM 0 HB ILE A 63 4.745 -4.778 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.977 -3.663 7.541 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.296 -2.742 6.846 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.951 -6.462 6.910 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.019 -6.686 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.415 -5.943 8.526 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.759 -3.520 5.109 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.360 -4.271 4.909 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.020 -5.206 5.615 1.00 0.00 H new ATOM 983 N ILE A 64 4.362 -5.878 10.526 1.00 0.00 N ATOM 984 CA ILE A 64 4.965 -6.924 11.343 1.00 0.00 C ATOM 985 C ILE A 64 4.246 -8.256 11.149 1.00 0.00 C ATOM 986 O ILE A 64 4.877 -9.310 11.089 1.00 0.00 O ATOM 987 CB ILE A 64 4.942 -6.555 12.837 1.00 0.00 C ATOM 988 CG1 ILE A 64 5.695 -5.243 13.072 1.00 0.00 C ATOM 989 CG2 ILE A 64 5.546 -7.675 13.670 1.00 0.00 C ATOM 990 CD1 ILE A 64 5.166 -4.445 14.244 1.00 0.00 C ATOM 0 H ILE A 64 3.347 -5.815 10.603 1.00 0.00 H new ATOM 0 HA ILE A 64 6.001 -7.021 11.017 1.00 0.00 H new ATOM 0 HB ILE A 64 3.906 -6.418 13.146 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.749 -5.463 13.239 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.636 -4.633 12.171 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.522 -7.398 14.724 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.971 -8.589 13.522 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.578 -7.842 13.362 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.746 -3.529 14.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.120 -4.194 14.070 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.251 -5.037 15.155 1.00 0.00 H new ATOM 1002 N GLY A 65 2.922 -8.198 11.048 1.00 0.00 N ATOM 1003 CA GLY A 65 2.139 -9.406 10.861 1.00 0.00 C ATOM 1004 C GLY A 65 2.386 -10.054 9.513 1.00 0.00 C ATOM 1005 O GLY A 65 3.201 -9.570 8.725 1.00 0.00 O ATOM 0 H GLY A 65 2.377 -7.337 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.379 -10.117 11.652 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.080 -9.167 10.957 1.00 0.00 H new ATOM 1009 N ARG A 66 1.685 -11.150 9.247 1.00 0.00 N ATOM 1010 CA ARG A 66 1.835 -11.867 7.985 1.00 0.00 C ATOM 1011 C ARG A 66 0.539 -11.830 7.182 1.00 0.00 C ATOM 1012 O ARG A 66 -0.460 -11.261 7.622 1.00 0.00 O ATOM 1013 CB ARG A 66 2.248 -13.316 8.244 1.00 0.00 C ATOM 1014 CG ARG A 66 3.712 -13.476 8.621 1.00 0.00 C ATOM 1015 CD ARG A 66 4.050 -14.923 8.944 1.00 0.00 C ATOM 1016 NE ARG A 66 5.225 -15.031 9.804 1.00 0.00 N ATOM 1017 CZ ARG A 66 5.534 -16.125 10.491 1.00 0.00 C ATOM 1018 NH1 ARG A 66 4.759 -17.199 10.419 1.00 0.00 N ATOM 1019 NH2 ARG A 66 6.620 -16.147 11.253 1.00 0.00 N ATOM 0 H ARG A 66 1.007 -11.562 9.888 1.00 0.00 H new ATOM 0 HA ARG A 66 2.615 -11.373 7.405 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.629 -13.723 9.044 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.045 -13.907 7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.340 -13.129 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.938 -12.848 9.483 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.198 -15.394 9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.227 -15.469 8.018 1.00 0.00 H new ATOM 0 HE ARG A 66 5.842 -14.222 9.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.923 -17.186 9.835 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.999 -18.038 10.948 1.00 0.00 H new ATOM 0 HH21 ARG A 66 7.219 -15.323 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.856 -16.988 11.780 1.00 0.00 H new ATOM 1033 N CYS A 67 0.563 -12.442 6.003 1.00 0.00 N ATOM 1034 CA CYS A 67 -0.609 -12.479 5.136 1.00 0.00 C ATOM 1035 C CYS A 67 -1.469 -13.705 5.437 1.00 0.00 C ATOM 1036 O CYS A 67 -0.952 -14.799 5.666 1.00 0.00 O ATOM 1037 CB CYS A 67 -0.184 -12.490 3.667 1.00 0.00 C ATOM 1038 SG CYS A 67 -1.549 -12.208 2.496 1.00 0.00 S ATOM 0 H CYS A 67 1.382 -12.919 5.626 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.201 -11.584 5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 67 0.576 -11.724 3.514 1.00 0.00 H new ATOM 0 HB3 CYS A 67 0.281 -13.450 3.442 1.00 0.00 H new ATOM 1043 N THR A 68 -2.785 -13.514 5.434 1.00 0.00 N ATOM 1044 CA THR A 68 -3.716 -14.602 5.707 1.00 0.00 C ATOM 1045 C THR A 68 -4.193 -15.253 4.414 1.00 0.00 C ATOM 1046 O THR A 68 -4.448 -16.456 4.371 1.00 0.00 O ATOM 1047 CB THR A 68 -4.939 -14.107 6.502 1.00 0.00 C ATOM 1048 OG1 THR A 68 -5.522 -12.974 5.849 1.00 0.00 O ATOM 1049 CG2 THR A 68 -4.545 -13.735 7.923 1.00 0.00 C ATOM 0 H THR A 68 -3.230 -12.616 5.245 1.00 0.00 H new ATOM 0 HA THR A 68 -3.178 -15.338 6.304 1.00 0.00 H new ATOM 0 HB THR A 68 -5.669 -14.915 6.545 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.300 -12.666 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.425 -13.388 8.465 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.129 -14.608 8.426 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.798 -12.941 7.898 1.00 0.00 H new ATOM 1057 N GLY A 69 -4.312 -14.451 3.360 1.00 0.00 N ATOM 1058 CA GLY A 69 -4.758 -14.968 2.080 1.00 0.00 C ATOM 1059 C GLY A 69 -3.630 -15.588 1.280 1.00 0.00 C ATOM 1060 O GLY A 69 -3.376 -15.195 0.141 1.00 0.00 O ATOM 0 H GLY A 69 -4.107 -13.452 3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.536 -15.714 2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.208 -14.160 1.502 1.00 0.00 H new ATOM 1064 N THR A 70 -2.948 -16.560 1.877 1.00 0.00 N ATOM 1065 CA THR A 70 -1.838 -17.235 1.215 1.00 0.00 C ATOM 1066 C THR A 70 -2.187 -18.683 0.894 1.00 0.00 C ATOM 1067 O THR A 70 -3.151 -19.232 1.427 1.00 0.00 O ATOM 1068 CB THR A 70 -0.564 -17.205 2.081 1.00 0.00 C ATOM 1069 OG1 THR A 70 0.547 -17.717 1.336 1.00 0.00 O ATOM 1070 CG2 THR A 70 -0.753 -18.025 3.349 1.00 0.00 C ATOM 0 H THR A 70 -3.145 -16.898 2.819 1.00 0.00 H new ATOM 0 HA THR A 70 -1.650 -16.696 0.287 1.00 0.00 H new ATOM 0 HB THR A 70 -0.366 -16.171 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.353 -17.693 1.893 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.159 -17.989 3.945 1.00 0.00 H new ATOM 0 HG22 THR A 70 -1.581 -17.615 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.973 -19.059 3.084 1.00 0.00 H new ATOM 1078 N ALA A 71 -1.397 -19.298 0.020 1.00 0.00 N ATOM 1079 CA ALA A 71 -1.621 -20.685 -0.370 1.00 0.00 C ATOM 1080 C ALA A 71 -0.430 -21.559 0.005 1.00 0.00 C ATOM 1081 O ALA A 71 0.556 -21.629 -0.729 1.00 0.00 O ATOM 1082 CB ALA A 71 -1.897 -20.775 -1.863 1.00 0.00 C ATOM 0 H ALA A 71 -0.596 -18.857 -0.432 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.492 -21.053 0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.062 -21.816 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.784 -20.190 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.043 -20.384 -2.415 1.00 0.00 H new ATOM 1088 N ALA A 72 -0.528 -22.227 1.150 1.00 0.00 N ATOM 1089 CA ALA A 72 0.541 -23.098 1.620 1.00 0.00 C ATOM 1090 C ALA A 72 -0.008 -24.448 2.071 1.00 0.00 C ATOM 1091 O ALA A 72 0.339 -25.487 1.513 1.00 0.00 O ATOM 1092 CB ALA A 72 1.305 -22.432 2.755 1.00 0.00 C ATOM 0 H ALA A 72 -1.337 -22.181 1.769 1.00 0.00 H new ATOM 0 HA ALA A 72 1.225 -23.272 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.101 -23.094 3.096 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.738 -21.496 2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.624 -22.228 3.581 1.00 0.00 H new ATOM 1098 N ASN A 73 -0.867 -24.422 3.085 1.00 0.00 N ATOM 1099 CA ASN A 73 -1.463 -25.644 3.612 1.00 0.00 C ATOM 1100 C ASN A 73 -1.921 -26.559 2.479 1.00 0.00 C ATOM 1101 O ASN A 73 -2.962 -26.329 1.863 1.00 0.00 O ATOM 1102 CB ASN A 73 -2.648 -25.308 4.519 1.00 0.00 C ATOM 1103 CG ASN A 73 -2.913 -26.390 5.548 1.00 0.00 C ATOM 1104 OD1 ASN A 73 -2.243 -27.423 5.566 1.00 0.00 O ATOM 1105 ND2 ASN A 73 -3.895 -26.158 6.412 1.00 0.00 N ATOM 0 H ASN A 73 -1.166 -23.569 3.558 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.704 -26.166 4.194 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.455 -24.364 5.029 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.540 -25.164 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.119 -26.850 7.127 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -4.425 -25.288 6.361 1.00 0.00 H new ATOM 1112 N SER A 74 -1.135 -27.597 2.209 1.00 0.00 N ATOM 1113 CA SER A 74 -1.457 -28.545 1.149 1.00 0.00 C ATOM 1114 C SER A 74 -0.487 -29.722 1.161 1.00 0.00 C ATOM 1115 O SER A 74 0.711 -29.553 1.389 1.00 0.00 O ATOM 1116 CB SER A 74 -1.417 -27.850 -0.214 1.00 0.00 C ATOM 1117 OG SER A 74 -0.156 -27.244 -0.440 1.00 0.00 O ATOM 0 H SER A 74 -0.271 -27.802 2.710 1.00 0.00 H new ATOM 0 HA SER A 74 -2.463 -28.924 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.622 -28.575 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.201 -27.095 -0.264 1.00 0.00 H new ATOM 0 HG SER A 74 -0.110 -26.394 0.045 1.00 0.00 H new ATOM 1123 N ARG A 75 -1.015 -30.917 0.913 1.00 0.00 N ATOM 1124 CA ARG A 75 -0.198 -32.124 0.896 1.00 0.00 C ATOM 1125 C ARG A 75 1.103 -31.890 0.133 1.00 0.00 C ATOM 1126 O ARG A 75 1.204 -30.964 -0.673 1.00 0.00 O ATOM 1127 CB ARG A 75 -0.972 -33.281 0.261 1.00 0.00 C ATOM 1128 CG ARG A 75 -0.532 -34.650 0.754 1.00 0.00 C ATOM 1129 CD ARG A 75 -0.973 -34.895 2.188 1.00 0.00 C ATOM 1130 NE ARG A 75 -2.425 -35.008 2.302 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.069 -35.047 3.464 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.394 -34.983 4.603 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.391 -35.151 3.487 1.00 0.00 N ATOM 0 H ARG A 75 -2.004 -31.074 0.721 1.00 0.00 H new ATOM 0 HA ARG A 75 0.046 -32.381 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.034 -33.154 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.851 -33.238 -0.821 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.949 -35.422 0.107 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.553 -34.730 0.687 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.508 -35.808 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.622 -34.079 2.820 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.974 -35.060 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.377 -34.904 4.589 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.891 -35.013 5.493 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.914 -35.201 2.613 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.885 -35.181 4.379 1.00 0.00 H new ATOM 1147 N ASP A 76 2.096 -32.733 0.393 1.00 0.00 N ATOM 1148 CA ASP A 76 3.390 -32.618 -0.269 1.00 0.00 C ATOM 1149 C ASP A 76 3.216 -32.303 -1.751 1.00 0.00 C ATOM 1150 O ASP A 76 2.212 -32.670 -2.362 1.00 0.00 O ATOM 1151 CB ASP A 76 4.190 -33.911 -0.100 1.00 0.00 C ATOM 1152 CG ASP A 76 4.521 -34.201 1.350 1.00 0.00 C ATOM 1153 OD1 ASP A 76 5.127 -33.329 2.006 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.176 -35.302 1.829 1.00 0.00 O ATOM 0 H ASP A 76 2.030 -33.504 1.058 1.00 0.00 H new ATOM 0 HA ASP A 76 3.937 -31.798 0.196 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.621 -34.744 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.114 -33.841 -0.674 1.00 0.00 H new ATOM 1159 N THR A 77 4.200 -31.619 -2.325 1.00 0.00 N ATOM 1160 CA THR A 77 4.155 -31.252 -3.735 1.00 0.00 C ATOM 1161 C THR A 77 5.551 -30.951 -4.270 1.00 0.00 C ATOM 1162 O THR A 77 6.397 -30.414 -3.555 1.00 0.00 O ATOM 1163 CB THR A 77 3.253 -30.025 -3.968 1.00 0.00 C ATOM 1164 OG1 THR A 77 3.165 -29.741 -5.369 1.00 0.00 O ATOM 1165 CG2 THR A 77 3.792 -28.809 -3.230 1.00 0.00 C ATOM 0 H THR A 77 5.039 -31.308 -1.835 1.00 0.00 H new ATOM 0 HA THR A 77 3.740 -32.106 -4.270 1.00 0.00 H new ATOM 0 HB THR A 77 2.260 -30.253 -3.581 1.00 0.00 H new ATOM 0 HG1 THR A 77 2.589 -28.961 -5.509 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.139 -27.955 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.829 -29.019 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.795 -28.580 -3.590 1.00 0.00 H new ATOM 1173 N SER A 78 5.784 -31.297 -5.531 1.00 0.00 N ATOM 1174 CA SER A 78 7.079 -31.067 -6.161 1.00 0.00 C ATOM 1175 C SER A 78 7.283 -29.584 -6.455 1.00 0.00 C ATOM 1176 O SER A 78 6.358 -28.890 -6.875 1.00 0.00 O ATOM 1177 CB SER A 78 7.193 -31.876 -7.455 1.00 0.00 C ATOM 1178 OG SER A 78 8.484 -31.746 -8.025 1.00 0.00 O ATOM 0 H SER A 78 5.093 -31.738 -6.138 1.00 0.00 H new ATOM 0 HA SER A 78 7.855 -31.393 -5.469 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.986 -32.926 -7.250 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.441 -31.536 -8.168 1.00 0.00 H new ATOM 0 HG SER A 78 8.532 -32.273 -8.850 1.00 0.00 H new ATOM 1184 N GLY A 79 8.503 -29.105 -6.233 1.00 0.00 N ATOM 1185 CA GLY A 79 8.808 -27.707 -6.481 1.00 0.00 C ATOM 1186 C GLY A 79 9.849 -27.163 -5.522 1.00 0.00 C ATOM 1187 O GLY A 79 9.563 -26.310 -4.682 1.00 0.00 O ATOM 0 H GLY A 79 9.286 -29.659 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 79 9.165 -27.592 -7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.895 -27.118 -6.394 1.00 0.00 H new ATOM 1191 N PRO A 80 11.088 -27.663 -5.642 1.00 0.00 N ATOM 1192 CA PRO A 80 12.199 -27.236 -4.787 1.00 0.00 C ATOM 1193 C PRO A 80 12.642 -25.806 -5.081 1.00 0.00 C ATOM 1194 O PRO A 80 12.139 -25.170 -6.007 1.00 0.00 O ATOM 1195 CB PRO A 80 13.314 -28.224 -5.136 1.00 0.00 C ATOM 1196 CG PRO A 80 12.999 -28.678 -6.519 1.00 0.00 C ATOM 1197 CD PRO A 80 11.498 -28.682 -6.621 1.00 0.00 C ATOM 0 HA PRO A 80 11.925 -27.236 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.294 -27.748 -5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.333 -29.062 -4.439 1.00 0.00 H new ATOM 0 HG2 PRO A 80 13.439 -28.009 -7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.406 -29.672 -6.706 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.163 -28.431 -7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.081 -29.660 -6.381 1.00 0.00 H new ATOM 1205 N SER A 81 13.585 -25.309 -4.289 1.00 0.00 N ATOM 1206 CA SER A 81 14.093 -23.953 -4.463 1.00 0.00 C ATOM 1207 C SER A 81 15.617 -23.931 -4.393 1.00 0.00 C ATOM 1208 O SER A 81 16.251 -24.945 -4.100 1.00 0.00 O ATOM 1209 CB SER A 81 13.509 -23.026 -3.395 1.00 0.00 C ATOM 1210 OG SER A 81 13.807 -23.496 -2.092 1.00 0.00 O ATOM 0 H SER A 81 14.013 -25.824 -3.520 1.00 0.00 H new ATOM 0 HA SER A 81 13.786 -23.600 -5.448 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.911 -22.021 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.429 -22.956 -3.521 1.00 0.00 H new ATOM 0 HG SER A 81 13.424 -22.885 -1.428 1.00 0.00 H new ATOM 1216 N SER A 82 16.199 -22.767 -4.665 1.00 0.00 N ATOM 1217 CA SER A 82 17.648 -22.611 -4.637 1.00 0.00 C ATOM 1218 C SER A 82 18.205 -22.956 -3.259 1.00 0.00 C ATOM 1219 O SER A 82 19.058 -23.833 -3.123 1.00 0.00 O ATOM 1220 CB SER A 82 18.037 -21.181 -5.013 1.00 0.00 C ATOM 1221 OG SER A 82 19.339 -21.134 -5.569 1.00 0.00 O ATOM 0 H SER A 82 15.688 -21.918 -4.907 1.00 0.00 H new ATOM 0 HA SER A 82 18.076 -23.299 -5.366 1.00 0.00 H new ATOM 0 HB2 SER A 82 17.318 -20.782 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 82 17.993 -20.545 -4.129 1.00 0.00 H new ATOM 0 HG SER A 82 19.562 -20.209 -5.802 1.00 0.00 H new ATOM 1227 N GLY A 83 17.716 -22.258 -2.239 1.00 0.00 N ATOM 1228 CA GLY A 83 18.175 -22.504 -0.884 1.00 0.00 C ATOM 1229 C GLY A 83 19.687 -22.502 -0.775 1.00 0.00 C ATOM 1230 O GLY A 83 20.357 -22.138 -1.741 1.00 0.00 O ATOM 0 H GLY A 83 17.010 -21.527 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 83 17.765 -21.742 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 83 17.790 -23.465 -0.542 1.00 0.00 H new TER 1234 GLY A 83 HETATM 1235 ZN ZN A 201 -1.780 -9.978 2.128 1.00 0.00 ZN HETATM 1236 ZN ZN A 401 0.211 3.771 6.776 1.00 0.00 ZN