USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 553 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 33 THR OG1 : rot 180:sc= 0.769 USER MOD Set 1.2: A 35 SER OG : rot 107:sc= 0.86 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 7:sc= 0.0631 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.35) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc=-0.00518 (180deg=-0.492) USER MOD Single : A 13 HIS : no HE2:sc= 0.211 K(o=0.21,f=-1.6) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -5.1! C(o=-5.1!,f=-9.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.587 USER MOD Single : A 41 MET CE :methyl -177:sc= -7.26! (180deg=-7.67!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -127:sc= 0.427 (180deg=-0.144) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.374 X(o=-0.37,f=0.12) USER MOD Single : A 56 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.42) USER MOD Single : A 57 LYS NZ :NH3+ -133:sc= -0.29 (180deg=-1.01) USER MOD Single : A 61 ASN : amide:sc= -0.77 X(o=-0.77,f=-0.28) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.574) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 44:sc= 0.804 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.099 -13.949 4.481 1.00 0.00 N ATOM 2 CA GLY A 1 16.010 -13.159 3.937 1.00 0.00 C ATOM 3 C GLY A 1 14.869 -14.018 3.428 1.00 0.00 C ATOM 4 O GLY A 1 14.952 -14.594 2.343 1.00 0.00 O ATOM 0 H1 GLY A 1 17.854 -13.316 4.815 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.749 -14.521 5.276 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.475 -14.577 3.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.637 -12.482 4.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.386 -12.540 3.123 1.00 0.00 H new ATOM 8 N SER A 2 13.800 -14.106 4.214 1.00 0.00 N ATOM 9 CA SER A 2 12.640 -14.905 3.839 1.00 0.00 C ATOM 10 C SER A 2 11.348 -14.232 4.293 1.00 0.00 C ATOM 11 O SER A 2 11.362 -13.348 5.148 1.00 0.00 O ATOM 12 CB SER A 2 12.740 -16.305 4.449 1.00 0.00 C ATOM 13 OG SER A 2 13.678 -17.101 3.746 1.00 0.00 O ATOM 0 H SER A 2 13.714 -13.634 5.114 1.00 0.00 H new ATOM 0 HA SER A 2 12.624 -14.990 2.752 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.035 -16.229 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.762 -16.785 4.427 1.00 0.00 H new ATOM 0 HG SER A 2 14.145 -16.549 3.084 1.00 0.00 H new ATOM 19 N SER A 3 10.231 -14.659 3.712 1.00 0.00 N ATOM 20 CA SER A 3 8.929 -14.096 4.052 1.00 0.00 C ATOM 21 C SER A 3 7.803 -14.920 3.436 1.00 0.00 C ATOM 22 O SER A 3 8.045 -15.823 2.636 1.00 0.00 O ATOM 23 CB SER A 3 8.836 -12.646 3.573 1.00 0.00 C ATOM 24 OG SER A 3 8.761 -12.580 2.159 1.00 0.00 O ATOM 0 H SER A 3 10.201 -15.393 3.004 1.00 0.00 H new ATOM 0 HA SER A 3 8.822 -14.121 5.136 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.957 -12.171 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.706 -12.088 3.921 1.00 0.00 H new ATOM 0 HG SER A 3 8.701 -11.643 1.878 1.00 0.00 H new ATOM 30 N GLY A 4 6.569 -14.601 3.816 1.00 0.00 N ATOM 31 CA GLY A 4 5.423 -15.321 3.292 1.00 0.00 C ATOM 32 C GLY A 4 4.308 -14.394 2.851 1.00 0.00 C ATOM 33 O GLY A 4 4.402 -13.177 3.013 1.00 0.00 O ATOM 0 H GLY A 4 6.343 -13.858 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 5.738 -15.933 2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.045 -16.001 4.055 1.00 0.00 H new ATOM 37 N SER A 5 3.248 -14.969 2.291 1.00 0.00 N ATOM 38 CA SER A 5 2.113 -14.185 1.820 1.00 0.00 C ATOM 39 C SER A 5 0.798 -14.899 2.119 1.00 0.00 C ATOM 40 O SER A 5 0.781 -16.096 2.409 1.00 0.00 O ATOM 41 CB SER A 5 2.234 -13.924 0.317 1.00 0.00 C ATOM 42 OG SER A 5 1.532 -12.751 -0.055 1.00 0.00 O ATOM 0 H SER A 5 3.152 -15.975 2.153 1.00 0.00 H new ATOM 0 HA SER A 5 2.118 -13.232 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.285 -13.824 0.046 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.842 -14.777 -0.236 1.00 0.00 H new ATOM 0 HG SER A 5 1.626 -12.605 -1.020 1.00 0.00 H new ATOM 48 N SER A 6 -0.302 -14.156 2.046 1.00 0.00 N ATOM 49 CA SER A 6 -1.621 -14.716 2.313 1.00 0.00 C ATOM 50 C SER A 6 -2.432 -14.834 1.026 1.00 0.00 C ATOM 51 O SER A 6 -2.805 -15.930 0.612 1.00 0.00 O ATOM 52 CB SER A 6 -2.372 -13.848 3.325 1.00 0.00 C ATOM 53 OG SER A 6 -3.566 -14.480 3.753 1.00 0.00 O ATOM 0 H SER A 6 -0.305 -13.165 1.804 1.00 0.00 H new ATOM 0 HA SER A 6 -1.487 -15.714 2.730 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.732 -13.651 4.185 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.608 -12.883 2.876 1.00 0.00 H new ATOM 0 HG SER A 6 -4.026 -13.906 4.400 1.00 0.00 H new ATOM 59 N GLY A 7 -2.700 -13.693 0.397 1.00 0.00 N ATOM 60 CA GLY A 7 -3.465 -13.689 -0.837 1.00 0.00 C ATOM 61 C GLY A 7 -4.877 -13.174 -0.641 1.00 0.00 C ATOM 62 O GLY A 7 -5.452 -13.309 0.439 1.00 0.00 O ATOM 0 H GLY A 7 -2.401 -12.773 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.955 -13.070 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.503 -14.701 -1.241 1.00 0.00 H new ATOM 66 N LYS A 8 -5.439 -12.580 -1.689 1.00 0.00 N ATOM 67 CA LYS A 8 -6.793 -12.042 -1.629 1.00 0.00 C ATOM 68 C LYS A 8 -7.309 -11.712 -3.026 1.00 0.00 C ATOM 69 O LYS A 8 -6.546 -11.694 -3.992 1.00 0.00 O ATOM 70 CB LYS A 8 -6.827 -10.788 -0.752 1.00 0.00 C ATOM 71 CG LYS A 8 -6.218 -9.565 -1.416 1.00 0.00 C ATOM 72 CD LYS A 8 -4.700 -9.590 -1.345 1.00 0.00 C ATOM 73 CE LYS A 8 -4.189 -8.908 -0.085 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.849 -8.293 -0.292 1.00 0.00 N ATOM 0 H LYS A 8 -4.977 -12.459 -2.590 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.440 -12.802 -1.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.861 -10.569 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.294 -10.990 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.534 -9.521 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.591 -8.663 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.351 -10.622 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.286 -9.093 -2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.897 -8.140 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.134 -9.636 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.536 -7.838 0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.167 -9.030 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.907 -7.580 -1.047 1.00 0.00 H new ATOM 88 N ARG A 9 -8.609 -11.452 -3.125 1.00 0.00 N ATOM 89 CA ARG A 9 -9.227 -11.123 -4.404 1.00 0.00 C ATOM 90 C ARG A 9 -10.563 -10.417 -4.196 1.00 0.00 C ATOM 91 O ARG A 9 -11.552 -11.041 -3.814 1.00 0.00 O ATOM 92 CB ARG A 9 -9.431 -12.390 -5.237 1.00 0.00 C ATOM 93 CG ARG A 9 -10.085 -12.133 -6.585 1.00 0.00 C ATOM 94 CD ARG A 9 -10.934 -13.315 -7.025 1.00 0.00 C ATOM 95 NE ARG A 9 -11.712 -13.014 -8.224 1.00 0.00 N ATOM 96 CZ ARG A 9 -11.235 -13.132 -9.458 1.00 0.00 C ATOM 97 NH1 ARG A 9 -9.990 -13.544 -9.655 1.00 0.00 N ATOM 98 NH2 ARG A 9 -12.004 -12.839 -10.499 1.00 0.00 N ATOM 0 H ARG A 9 -9.254 -11.463 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.559 -10.449 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.465 -12.869 -5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -10.045 -13.091 -4.672 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.706 -11.239 -6.525 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.316 -11.937 -7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -10.289 -14.173 -7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -11.608 -13.598 -6.217 1.00 0.00 H new ATOM 0 HE ARG A 9 -12.674 -12.696 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.396 -13.771 -8.858 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.627 -13.634 -10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.963 -12.523 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.637 -12.930 -11.446 1.00 0.00 H new ATOM 112 N GLN A 10 -10.584 -9.112 -4.450 1.00 0.00 N ATOM 113 CA GLN A 10 -11.799 -8.322 -4.290 1.00 0.00 C ATOM 114 C GLN A 10 -11.874 -7.220 -5.342 1.00 0.00 C ATOM 115 O GLN A 10 -10.886 -6.916 -6.010 1.00 0.00 O ATOM 116 CB GLN A 10 -11.853 -7.711 -2.889 1.00 0.00 C ATOM 117 CG GLN A 10 -12.427 -8.648 -1.838 1.00 0.00 C ATOM 118 CD GLN A 10 -13.927 -8.826 -1.972 1.00 0.00 C ATOM 119 OE1 GLN A 10 -14.398 -9.680 -2.724 1.00 0.00 O ATOM 120 NE2 GLN A 10 -14.687 -8.018 -1.241 1.00 0.00 N ATOM 0 H GLN A 10 -9.774 -8.580 -4.767 1.00 0.00 H new ATOM 0 HA GLN A 10 -12.654 -8.985 -4.423 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.847 -7.417 -2.591 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.454 -6.802 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.941 -9.620 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.198 -8.259 -0.846 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.254 -7.324 -0.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.703 -8.091 -1.290 1.00 0.00 H new ATOM 129 N LYS A 11 -13.054 -6.625 -5.484 1.00 0.00 N ATOM 130 CA LYS A 11 -13.260 -5.556 -6.454 1.00 0.00 C ATOM 131 C LYS A 11 -14.585 -4.843 -6.204 1.00 0.00 C ATOM 132 O LYS A 11 -15.640 -5.475 -6.154 1.00 0.00 O ATOM 133 CB LYS A 11 -13.231 -6.118 -7.877 1.00 0.00 C ATOM 134 CG LYS A 11 -13.263 -5.047 -8.954 1.00 0.00 C ATOM 135 CD LYS A 11 -11.875 -4.498 -9.236 1.00 0.00 C ATOM 136 CE LYS A 11 -11.189 -5.263 -10.357 1.00 0.00 C ATOM 137 NZ LYS A 11 -10.374 -6.396 -9.838 1.00 0.00 N ATOM 0 H LYS A 11 -13.882 -6.865 -4.939 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.452 -4.834 -6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.332 -6.721 -8.002 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.083 -6.784 -8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.684 -5.463 -9.870 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.920 -4.235 -8.642 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.947 -3.444 -9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.269 -4.555 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.940 -5.643 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.549 -4.584 -10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.673 -6.675 -10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.884 -6.102 -8.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -10.995 -7.203 -9.629 1.00 0.00 H new ATOM 151 N ILE A 12 -14.522 -3.525 -6.050 1.00 0.00 N ATOM 152 CA ILE A 12 -15.717 -2.727 -5.808 1.00 0.00 C ATOM 153 C ILE A 12 -15.861 -1.622 -6.850 1.00 0.00 C ATOM 154 O ILE A 12 -16.870 -1.543 -7.551 1.00 0.00 O ATOM 155 CB ILE A 12 -15.698 -2.093 -4.404 1.00 0.00 C ATOM 156 CG1 ILE A 12 -15.600 -3.180 -3.332 1.00 0.00 C ATOM 157 CG2 ILE A 12 -16.939 -1.240 -4.191 1.00 0.00 C ATOM 158 CD1 ILE A 12 -14.930 -2.714 -2.058 1.00 0.00 C ATOM 0 H ILE A 12 -13.656 -2.987 -6.089 1.00 0.00 H new ATOM 0 HA ILE A 12 -16.568 -3.405 -5.880 1.00 0.00 H new ATOM 0 HB ILE A 12 -14.822 -1.450 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -16.602 -3.538 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -15.046 -4.028 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -16.911 -0.799 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -16.968 -0.447 -4.938 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -17.829 -1.862 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -14.895 -3.536 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -13.915 -2.384 -2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -15.496 -1.886 -1.631 1.00 0.00 H new ATOM 170 N HIS A 13 -14.844 -0.772 -6.947 1.00 0.00 N ATOM 171 CA HIS A 13 -14.855 0.327 -7.905 1.00 0.00 C ATOM 172 C HIS A 13 -16.261 0.900 -8.059 1.00 0.00 C ATOM 173 O HIS A 13 -16.721 1.154 -9.173 1.00 0.00 O ATOM 174 CB HIS A 13 -14.334 -0.146 -9.262 1.00 0.00 C ATOM 175 CG HIS A 13 -13.722 0.947 -10.083 1.00 0.00 C ATOM 176 ND1 HIS A 13 -14.339 2.161 -10.300 1.00 0.00 N ATOM 177 CD2 HIS A 13 -12.540 1.005 -10.741 1.00 0.00 C ATOM 178 CE1 HIS A 13 -13.564 2.918 -11.057 1.00 0.00 C ATOM 179 NE2 HIS A 13 -12.466 2.239 -11.338 1.00 0.00 N ATOM 0 H HIS A 13 -14.002 -0.823 -6.374 1.00 0.00 H new ATOM 0 HA HIS A 13 -14.201 1.112 -7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.593 -0.929 -9.104 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -15.156 -0.593 -9.822 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -15.251 2.432 -9.933 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.794 0.225 -10.788 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.790 3.921 -11.389 1.00 0.00 H new ATOM 187 N LEU A 14 -16.939 1.099 -6.934 1.00 0.00 N ATOM 188 CA LEU A 14 -18.294 1.641 -6.944 1.00 0.00 C ATOM 189 C LEU A 14 -18.460 2.710 -5.869 1.00 0.00 C ATOM 190 O LEU A 14 -18.155 2.482 -4.699 1.00 0.00 O ATOM 191 CB LEU A 14 -19.314 0.521 -6.727 1.00 0.00 C ATOM 192 CG LEU A 14 -20.783 0.913 -6.885 1.00 0.00 C ATOM 193 CD1 LEU A 14 -21.154 1.014 -8.356 1.00 0.00 C ATOM 194 CD2 LEU A 14 -21.681 -0.090 -6.174 1.00 0.00 C ATOM 0 H LEU A 14 -16.573 0.894 -6.004 1.00 0.00 H new ATOM 0 HA LEU A 14 -18.469 2.100 -7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -19.096 -0.283 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.172 0.116 -5.725 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.930 1.891 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.203 1.294 -8.448 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.533 1.770 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.992 0.050 -8.839 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -22.723 0.204 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -21.531 -1.081 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.433 -0.112 -5.113 1.00 0.00 H new ATOM 206 N GLY A 15 -18.947 3.879 -6.274 1.00 0.00 N ATOM 207 CA GLY A 15 -19.148 4.966 -5.334 1.00 0.00 C ATOM 208 C GLY A 15 -17.841 5.538 -4.822 1.00 0.00 C ATOM 209 O GLY A 15 -17.424 6.620 -5.236 1.00 0.00 O ATOM 0 H GLY A 15 -19.206 4.093 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.723 5.757 -5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.740 4.609 -4.491 1.00 0.00 H new ATOM 213 N ASP A 16 -17.193 4.811 -3.918 1.00 0.00 N ATOM 214 CA ASP A 16 -15.925 5.253 -3.348 1.00 0.00 C ATOM 215 C ASP A 16 -14.885 5.475 -4.442 1.00 0.00 C ATOM 216 O ASP A 16 -14.930 4.836 -5.493 1.00 0.00 O ATOM 217 CB ASP A 16 -15.410 4.226 -2.339 1.00 0.00 C ATOM 218 CG ASP A 16 -16.514 3.674 -1.459 1.00 0.00 C ATOM 219 OD1 ASP A 16 -17.517 4.387 -1.249 1.00 0.00 O ATOM 220 OD2 ASP A 16 -16.375 2.529 -0.980 1.00 0.00 O ATOM 0 H ASP A 16 -17.525 3.914 -3.564 1.00 0.00 H new ATOM 0 HA ASP A 16 -16.096 6.200 -2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -14.931 3.405 -2.873 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -14.647 4.688 -1.713 1.00 0.00 H new ATOM 225 N ARG A 17 -13.952 6.386 -4.187 1.00 0.00 N ATOM 226 CA ARG A 17 -12.902 6.695 -5.151 1.00 0.00 C ATOM 227 C ARG A 17 -11.785 5.657 -5.090 1.00 0.00 C ATOM 228 O ARG A 17 -10.606 6.003 -5.026 1.00 0.00 O ATOM 229 CB ARG A 17 -12.332 8.090 -4.888 1.00 0.00 C ATOM 230 CG ARG A 17 -13.091 9.201 -5.595 1.00 0.00 C ATOM 231 CD ARG A 17 -12.299 10.499 -5.603 1.00 0.00 C ATOM 232 NE ARG A 17 -13.169 11.671 -5.628 1.00 0.00 N ATOM 233 CZ ARG A 17 -13.737 12.188 -4.544 1.00 0.00 C ATOM 234 NH1 ARG A 17 -13.527 11.640 -3.356 1.00 0.00 N ATOM 235 NH2 ARG A 17 -14.517 13.257 -4.648 1.00 0.00 N ATOM 0 H ARG A 17 -13.901 6.923 -3.321 1.00 0.00 H new ATOM 0 HA ARG A 17 -13.341 6.672 -6.148 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.342 8.281 -3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.290 8.114 -5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.308 8.900 -6.620 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.049 9.361 -5.100 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -11.661 10.540 -4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.642 10.517 -6.472 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.351 12.117 -6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.928 10.819 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.965 12.039 -2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.681 13.682 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.953 13.653 -3.815 1.00 0.00 H new ATOM 249 N SER A 18 -12.166 4.384 -5.108 1.00 0.00 N ATOM 250 CA SER A 18 -11.197 3.295 -5.050 1.00 0.00 C ATOM 251 C SER A 18 -10.563 3.058 -6.418 1.00 0.00 C ATOM 252 O SER A 18 -11.231 2.622 -7.355 1.00 0.00 O ATOM 253 CB SER A 18 -11.868 2.012 -4.557 1.00 0.00 C ATOM 254 OG SER A 18 -12.664 2.261 -3.411 1.00 0.00 O ATOM 0 H SER A 18 -13.138 4.081 -5.162 1.00 0.00 H new ATOM 0 HA SER A 18 -10.412 3.578 -4.349 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.488 1.594 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.108 1.268 -4.321 1.00 0.00 H new ATOM 0 HG SER A 18 -13.083 1.426 -3.116 1.00 0.00 H new ATOM 260 N GLN A 19 -9.271 3.349 -6.523 1.00 0.00 N ATOM 261 CA GLN A 19 -8.547 3.168 -7.775 1.00 0.00 C ATOM 262 C GLN A 19 -7.644 1.940 -7.710 1.00 0.00 C ATOM 263 O GLN A 19 -7.313 1.456 -6.627 1.00 0.00 O ATOM 264 CB GLN A 19 -7.715 4.411 -8.092 1.00 0.00 C ATOM 265 CG GLN A 19 -7.547 4.668 -9.581 1.00 0.00 C ATOM 266 CD GLN A 19 -6.301 5.473 -9.898 1.00 0.00 C ATOM 267 OE1 GLN A 19 -5.373 5.544 -9.092 1.00 0.00 O ATOM 268 NE2 GLN A 19 -6.275 6.083 -11.077 1.00 0.00 N ATOM 0 H GLN A 19 -8.704 3.711 -5.756 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.278 3.017 -8.569 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.186 5.280 -7.633 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.730 4.305 -7.637 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.503 3.715 -10.108 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.423 5.198 -9.955 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.067 5.996 -11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.463 6.638 -11.346 1.00 0.00 H new ATOM 277 N LYS A 20 -7.248 1.440 -8.876 1.00 0.00 N ATOM 278 CA LYS A 20 -6.383 0.269 -8.953 1.00 0.00 C ATOM 279 C LYS A 20 -4.961 0.668 -9.335 1.00 0.00 C ATOM 280 O LYS A 20 -4.692 1.018 -10.484 1.00 0.00 O ATOM 281 CB LYS A 20 -6.934 -0.732 -9.970 1.00 0.00 C ATOM 282 CG LYS A 20 -6.018 -1.918 -10.214 1.00 0.00 C ATOM 283 CD LYS A 20 -6.661 -2.940 -11.136 1.00 0.00 C ATOM 284 CE LYS A 20 -5.870 -4.239 -11.168 1.00 0.00 C ATOM 285 NZ LYS A 20 -4.725 -4.168 -12.117 1.00 0.00 N ATOM 0 H LYS A 20 -7.513 1.828 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.359 -0.199 -7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.901 -1.096 -9.622 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.109 -0.218 -10.915 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.081 -1.571 -10.651 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.771 -2.390 -9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.679 -3.141 -10.804 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.730 -2.530 -12.144 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -5.499 -4.463 -10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.529 -5.058 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.211 -5.072 -12.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.080 -3.979 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.082 -3.403 -11.829 1.00 0.00 H new ATOM 299 N CYS A 21 -4.054 0.611 -8.365 1.00 0.00 N ATOM 300 CA CYS A 21 -2.660 0.965 -8.600 1.00 0.00 C ATOM 301 C CYS A 21 -2.144 0.321 -9.884 1.00 0.00 C ATOM 302 O CYS A 21 -2.699 -0.669 -10.360 1.00 0.00 O ATOM 303 CB CYS A 21 -1.795 0.530 -7.415 1.00 0.00 C ATOM 304 SG CYS A 21 -0.003 0.625 -7.728 1.00 0.00 S ATOM 0 H CYS A 21 -4.260 0.323 -7.409 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.599 2.048 -8.708 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.036 1.154 -6.554 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.053 -0.495 -7.148 1.00 0.00 H new ATOM 309 N SER A 22 -1.078 0.890 -10.438 1.00 0.00 N ATOM 310 CA SER A 22 -0.489 0.375 -11.668 1.00 0.00 C ATOM 311 C SER A 22 0.818 -0.358 -11.379 1.00 0.00 C ATOM 312 O SER A 22 1.115 -1.386 -11.988 1.00 0.00 O ATOM 313 CB SER A 22 -0.240 1.516 -12.657 1.00 0.00 C ATOM 314 OG SER A 22 0.106 1.015 -13.937 1.00 0.00 O ATOM 0 H SER A 22 -0.605 1.708 -10.054 1.00 0.00 H new ATOM 0 HA SER A 22 -1.192 -0.332 -12.110 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.133 2.136 -12.735 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.560 2.156 -12.285 1.00 0.00 H new ATOM 0 HG SER A 22 0.258 1.763 -14.551 1.00 0.00 H new ATOM 320 N LYS A 23 1.596 0.180 -10.446 1.00 0.00 N ATOM 321 CA LYS A 23 2.871 -0.421 -10.073 1.00 0.00 C ATOM 322 C LYS A 23 2.685 -1.876 -9.653 1.00 0.00 C ATOM 323 O LYS A 23 3.243 -2.786 -10.267 1.00 0.00 O ATOM 324 CB LYS A 23 3.518 0.371 -8.935 1.00 0.00 C ATOM 325 CG LYS A 23 4.796 -0.257 -8.407 1.00 0.00 C ATOM 326 CD LYS A 23 6.001 0.146 -9.241 1.00 0.00 C ATOM 327 CE LYS A 23 6.242 -0.833 -10.380 1.00 0.00 C ATOM 328 NZ LYS A 23 7.592 -0.659 -10.984 1.00 0.00 N ATOM 0 H LYS A 23 1.366 1.032 -9.934 1.00 0.00 H new ATOM 0 HA LYS A 23 3.526 -0.394 -10.944 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.736 1.380 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.804 0.464 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.951 0.047 -7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.697 -1.343 -8.410 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.847 1.146 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.886 0.192 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.138 -1.853 -10.010 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.480 -0.693 -11.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.718 -1.344 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.682 0.307 -11.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.320 -0.818 -10.258 1.00 0.00 H new ATOM 342 N CYS A 24 1.896 -2.088 -8.605 1.00 0.00 N ATOM 343 CA CYS A 24 1.635 -3.432 -8.103 1.00 0.00 C ATOM 344 C CYS A 24 0.275 -3.935 -8.577 1.00 0.00 C ATOM 345 O CYS A 24 0.148 -5.065 -9.045 1.00 0.00 O ATOM 346 CB CYS A 24 1.693 -3.448 -6.574 1.00 0.00 C ATOM 347 SG CYS A 24 0.252 -2.679 -5.767 1.00 0.00 S ATOM 0 H CYS A 24 1.426 -1.346 -8.087 1.00 0.00 H new ATOM 0 HA CYS A 24 2.405 -4.096 -8.496 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.778 -4.481 -6.235 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.596 -2.931 -6.250 1.00 0.00 H new ATOM 352 N GLY A 25 -0.740 -3.085 -8.452 1.00 0.00 N ATOM 353 CA GLY A 25 -2.078 -3.461 -8.872 1.00 0.00 C ATOM 354 C GLY A 25 -2.996 -3.743 -7.699 1.00 0.00 C ATOM 355 O GLY A 25 -3.853 -4.624 -7.771 1.00 0.00 O ATOM 0 H GLY A 25 -0.660 -2.144 -8.068 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.503 -2.661 -9.478 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.021 -4.346 -9.506 1.00 0.00 H new ATOM 359 N ILE A 26 -2.815 -2.996 -6.615 1.00 0.00 N ATOM 360 CA ILE A 26 -3.634 -3.171 -5.422 1.00 0.00 C ATOM 361 C ILE A 26 -4.724 -2.107 -5.342 1.00 0.00 C ATOM 362 O ILE A 26 -4.602 -1.033 -5.931 1.00 0.00 O ATOM 363 CB ILE A 26 -2.781 -3.113 -4.141 1.00 0.00 C ATOM 364 CG1 ILE A 26 -3.591 -3.606 -2.940 1.00 0.00 C ATOM 365 CG2 ILE A 26 -2.280 -1.697 -3.902 1.00 0.00 C ATOM 366 CD1 ILE A 26 -2.842 -3.519 -1.629 1.00 0.00 C ATOM 0 H ILE A 26 -2.109 -2.264 -6.538 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.096 -4.155 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.918 -3.767 -4.267 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.507 -3.020 -2.865 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.887 -4.641 -3.112 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.679 -1.672 -2.993 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.671 -1.379 -4.748 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.130 -1.024 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.477 -3.885 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.939 -4.127 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.569 -2.482 -1.434 1.00 0.00 H new ATOM 378 N ILE A 27 -5.789 -2.413 -4.608 1.00 0.00 N ATOM 379 CA ILE A 27 -6.899 -1.483 -4.449 1.00 0.00 C ATOM 380 C ILE A 27 -6.624 -0.485 -3.329 1.00 0.00 C ATOM 381 O ILE A 27 -6.319 -0.871 -2.200 1.00 0.00 O ATOM 382 CB ILE A 27 -8.216 -2.223 -4.149 1.00 0.00 C ATOM 383 CG1 ILE A 27 -8.566 -3.172 -5.297 1.00 0.00 C ATOM 384 CG2 ILE A 27 -9.342 -1.228 -3.915 1.00 0.00 C ATOM 385 CD1 ILE A 27 -8.741 -2.472 -6.627 1.00 0.00 C ATOM 0 H ILE A 27 -5.906 -3.298 -4.114 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.999 -0.948 -5.393 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.085 -2.813 -3.242 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -7.780 -3.922 -5.391 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -9.486 -3.703 -5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.266 -1.767 -3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -9.093 -0.589 -3.067 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -9.475 -0.614 -4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.988 -3.206 -7.395 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.547 -1.742 -6.551 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -7.815 -1.964 -6.895 1.00 0.00 H new ATOM 397 N PHE A 28 -6.734 0.800 -3.649 1.00 0.00 N ATOM 398 CA PHE A 28 -6.498 1.855 -2.670 1.00 0.00 C ATOM 399 C PHE A 28 -7.463 3.018 -2.880 1.00 0.00 C ATOM 400 O PHE A 28 -8.199 3.057 -3.866 1.00 0.00 O ATOM 401 CB PHE A 28 -5.054 2.352 -2.763 1.00 0.00 C ATOM 402 CG PHE A 28 -4.800 3.236 -3.950 1.00 0.00 C ATOM 403 CD1 PHE A 28 -5.226 4.555 -3.952 1.00 0.00 C ATOM 404 CD2 PHE A 28 -4.134 2.750 -5.063 1.00 0.00 C ATOM 405 CE1 PHE A 28 -4.994 5.370 -5.044 1.00 0.00 C ATOM 406 CE2 PHE A 28 -3.898 3.561 -6.157 1.00 0.00 C ATOM 407 CZ PHE A 28 -4.329 4.873 -6.147 1.00 0.00 C ATOM 0 H PHE A 28 -6.985 1.136 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.669 1.440 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.807 2.899 -1.853 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.385 1.493 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -5.745 4.950 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.795 1.725 -5.076 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -5.333 6.395 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.377 3.169 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 28 -4.146 5.509 -7.000 1.00 0.00 H new ATOM 417 N ILE A 29 -7.453 3.963 -1.946 1.00 0.00 N ATOM 418 CA ILE A 29 -8.326 5.127 -2.028 1.00 0.00 C ATOM 419 C ILE A 29 -7.565 6.351 -2.524 1.00 0.00 C ATOM 420 O ILE A 29 -6.535 6.725 -1.962 1.00 0.00 O ATOM 421 CB ILE A 29 -8.963 5.451 -0.664 1.00 0.00 C ATOM 422 CG1 ILE A 29 -9.713 4.231 -0.124 1.00 0.00 C ATOM 423 CG2 ILE A 29 -9.900 6.643 -0.786 1.00 0.00 C ATOM 424 CD1 ILE A 29 -10.861 3.789 -1.005 1.00 0.00 C ATOM 0 H ILE A 29 -6.850 3.945 -1.124 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.115 4.880 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.170 5.707 0.038 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -9.012 3.404 -0.012 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.096 4.461 0.870 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.342 6.859 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.340 7.512 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.690 6.413 -1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.347 2.920 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.583 4.601 -1.097 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.482 3.527 -1.993 1.00 0.00 H new ATOM 436 N ARG A 30 -8.079 6.973 -3.580 1.00 0.00 N ATOM 437 CA ARG A 30 -7.448 8.156 -4.152 1.00 0.00 C ATOM 438 C ARG A 30 -7.836 9.410 -3.373 1.00 0.00 C ATOM 439 O ARG A 30 -8.879 10.013 -3.629 1.00 0.00 O ATOM 440 CB ARG A 30 -7.845 8.312 -5.621 1.00 0.00 C ATOM 441 CG ARG A 30 -6.870 7.660 -6.588 1.00 0.00 C ATOM 442 CD ARG A 30 -7.052 8.187 -8.003 1.00 0.00 C ATOM 443 NE ARG A 30 -6.342 9.446 -8.214 1.00 0.00 N ATOM 444 CZ ARG A 30 -6.897 10.640 -8.039 1.00 0.00 C ATOM 445 NH1 ARG A 30 -8.161 10.737 -7.652 1.00 0.00 N ATOM 446 NH2 ARG A 30 -6.186 11.740 -8.251 1.00 0.00 N ATOM 0 H ARG A 30 -8.931 6.677 -4.057 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.368 8.028 -4.086 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.834 7.879 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.923 9.373 -5.857 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.848 7.847 -6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.015 6.580 -6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -6.693 7.444 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.114 8.332 -8.202 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.367 9.406 -8.512 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.710 9.893 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.584 11.655 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.213 11.669 -8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.613 12.657 -8.117 1.00 0.00 H new ATOM 460 N ARG A 31 -6.991 9.795 -2.423 1.00 0.00 N ATOM 461 CA ARG A 31 -7.247 10.975 -1.606 1.00 0.00 C ATOM 462 C ARG A 31 -6.960 12.252 -2.390 1.00 0.00 C ATOM 463 O ARG A 31 -5.806 12.572 -2.674 1.00 0.00 O ATOM 464 CB ARG A 31 -6.391 10.939 -0.338 1.00 0.00 C ATOM 465 CG ARG A 31 -4.902 11.080 -0.605 1.00 0.00 C ATOM 466 CD ARG A 31 -4.075 10.554 0.558 1.00 0.00 C ATOM 467 NE ARG A 31 -2.649 10.810 0.377 1.00 0.00 N ATOM 468 CZ ARG A 31 -1.714 10.390 1.221 1.00 0.00 C ATOM 469 NH1 ARG A 31 -2.052 9.696 2.299 1.00 0.00 N ATOM 470 NH2 ARG A 31 -0.436 10.664 0.988 1.00 0.00 N ATOM 0 H ARG A 31 -6.123 9.307 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.300 10.970 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.710 11.741 0.328 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.570 10.000 0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.641 10.537 -1.513 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.660 12.128 -0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.412 11.021 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.240 9.482 0.664 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.355 11.341 -0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.033 9.483 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.331 9.375 2.945 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.172 11.198 0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.281 10.341 1.637 1.00 0.00 H new ATOM 484 N SER A 32 -8.018 12.978 -2.738 1.00 0.00 N ATOM 485 CA SER A 32 -7.880 14.217 -3.494 1.00 0.00 C ATOM 486 C SER A 32 -7.390 15.349 -2.596 1.00 0.00 C ATOM 487 O SER A 32 -8.187 16.059 -1.981 1.00 0.00 O ATOM 488 CB SER A 32 -9.216 14.600 -4.134 1.00 0.00 C ATOM 489 OG SER A 32 -9.024 15.484 -5.224 1.00 0.00 O ATOM 0 H SER A 32 -8.980 12.729 -2.508 1.00 0.00 H new ATOM 0 HA SER A 32 -7.142 14.055 -4.280 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.730 13.702 -4.476 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.858 15.070 -3.389 1.00 0.00 H new ATOM 0 HG SER A 32 -9.892 15.712 -5.617 1.00 0.00 H new ATOM 495 N THR A 33 -6.073 15.512 -2.524 1.00 0.00 N ATOM 496 CA THR A 33 -5.475 16.555 -1.701 1.00 0.00 C ATOM 497 C THR A 33 -4.966 17.708 -2.559 1.00 0.00 C ATOM 498 O THR A 33 -3.962 18.343 -2.233 1.00 0.00 O ATOM 499 CB THR A 33 -4.310 16.006 -0.856 1.00 0.00 C ATOM 500 OG1 THR A 33 -3.262 15.538 -1.713 1.00 0.00 O ATOM 501 CG2 THR A 33 -4.781 14.874 0.044 1.00 0.00 C ATOM 0 H THR A 33 -5.399 14.934 -3.027 1.00 0.00 H new ATOM 0 HA THR A 33 -6.257 16.919 -1.035 1.00 0.00 H new ATOM 0 HB THR A 33 -3.932 16.813 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 33 -2.524 15.192 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.941 14.502 0.631 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.558 15.241 0.714 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.182 14.066 -0.568 1.00 0.00 H new ATOM 509 N LEU A 34 -5.665 17.976 -3.657 1.00 0.00 N ATOM 510 CA LEU A 34 -5.284 19.054 -4.562 1.00 0.00 C ATOM 511 C LEU A 34 -3.831 18.910 -5.001 1.00 0.00 C ATOM 512 O LEU A 34 -3.085 19.888 -5.046 1.00 0.00 O ATOM 513 CB LEU A 34 -5.493 20.411 -3.887 1.00 0.00 C ATOM 514 CG LEU A 34 -6.875 21.042 -4.060 1.00 0.00 C ATOM 515 CD1 LEU A 34 -7.156 21.317 -5.529 1.00 0.00 C ATOM 516 CD2 LEU A 34 -7.950 20.141 -3.469 1.00 0.00 C ATOM 0 H LEU A 34 -6.498 17.461 -3.942 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.918 18.993 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.299 20.297 -2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.748 21.106 -4.275 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.890 21.991 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.144 21.766 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.404 22.001 -5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.122 20.381 -6.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.927 20.606 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.935 19.176 -3.976 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.758 19.995 -2.406 1.00 0.00 H new ATOM 528 N SER A 35 -3.435 17.683 -5.324 1.00 0.00 N ATOM 529 CA SER A 35 -2.070 17.409 -5.758 1.00 0.00 C ATOM 530 C SER A 35 -2.050 16.882 -7.190 1.00 0.00 C ATOM 531 O SER A 35 -3.077 16.459 -7.721 1.00 0.00 O ATOM 532 CB SER A 35 -1.408 16.398 -4.821 1.00 0.00 C ATOM 533 OG SER A 35 -1.447 16.845 -3.477 1.00 0.00 O ATOM 0 H SER A 35 -4.040 16.863 -5.293 1.00 0.00 H new ATOM 0 HA SER A 35 -1.510 18.344 -5.726 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.915 15.436 -4.902 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.373 16.240 -5.125 1.00 0.00 H new ATOM 0 HG SER A 35 -2.107 16.321 -2.977 1.00 0.00 H new ATOM 539 N ARG A 36 -0.874 16.912 -7.808 1.00 0.00 N ATOM 540 CA ARG A 36 -0.719 16.440 -9.179 1.00 0.00 C ATOM 541 C ARG A 36 0.136 15.177 -9.225 1.00 0.00 C ATOM 542 O ARG A 36 1.172 15.093 -8.565 1.00 0.00 O ATOM 543 CB ARG A 36 -0.088 17.528 -10.048 1.00 0.00 C ATOM 544 CG ARG A 36 -1.072 18.595 -10.499 1.00 0.00 C ATOM 545 CD ARG A 36 -1.592 19.406 -9.322 1.00 0.00 C ATOM 546 NE ARG A 36 -2.181 20.673 -9.748 1.00 0.00 N ATOM 547 CZ ARG A 36 -2.983 21.405 -8.983 1.00 0.00 C ATOM 548 NH1 ARG A 36 -3.289 20.998 -7.759 1.00 0.00 N ATOM 549 NH2 ARG A 36 -3.479 22.547 -9.441 1.00 0.00 N ATOM 0 H ARG A 36 -0.015 17.258 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.709 16.203 -9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.720 18.003 -9.491 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.360 17.065 -10.927 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.587 19.259 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.908 18.125 -11.016 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.338 18.823 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.775 19.601 -8.627 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.965 21.014 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.908 20.121 -7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.905 21.562 -7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.245 22.864 -10.382 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.095 23.108 -8.852 1.00 0.00 H new ATOM 563 N ARG A 37 -0.305 14.198 -10.008 1.00 0.00 N ATOM 564 CA ARG A 37 0.419 12.939 -10.139 1.00 0.00 C ATOM 565 C ARG A 37 0.519 12.519 -11.602 1.00 0.00 C ATOM 566 O ARG A 37 -0.005 13.192 -12.490 1.00 0.00 O ATOM 567 CB ARG A 37 -0.272 11.842 -9.327 1.00 0.00 C ATOM 568 CG ARG A 37 -1.572 11.353 -9.947 1.00 0.00 C ATOM 569 CD ARG A 37 -1.335 10.183 -10.888 1.00 0.00 C ATOM 570 NE ARG A 37 -2.573 9.476 -11.206 1.00 0.00 N ATOM 571 CZ ARG A 37 -3.419 9.866 -12.153 1.00 0.00 C ATOM 572 NH1 ARG A 37 -3.162 10.949 -12.872 1.00 0.00 N ATOM 573 NH2 ARG A 37 -4.525 9.170 -12.382 1.00 0.00 N ATOM 0 H ARG A 37 -1.160 14.252 -10.561 1.00 0.00 H new ATOM 0 HA ARG A 37 1.427 13.086 -9.752 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.409 10.998 -9.219 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.476 12.218 -8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.262 11.053 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.046 12.169 -10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.878 10.545 -11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.628 9.489 -10.433 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.800 8.637 -10.672 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.312 11.486 -12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.814 11.245 -13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.726 8.335 -11.831 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.175 9.469 -13.109 1.00 0.00 H new ATOM 587 N LYS A 38 1.195 11.401 -11.846 1.00 0.00 N ATOM 588 CA LYS A 38 1.363 10.889 -13.201 1.00 0.00 C ATOM 589 C LYS A 38 0.791 9.481 -13.325 1.00 0.00 C ATOM 590 O LYS A 38 -0.052 9.215 -14.183 1.00 0.00 O ATOM 591 CB LYS A 38 2.844 10.885 -13.586 1.00 0.00 C ATOM 592 CG LYS A 38 3.332 12.212 -14.141 1.00 0.00 C ATOM 593 CD LYS A 38 3.345 13.292 -13.073 1.00 0.00 C ATOM 594 CE LYS A 38 4.138 14.511 -13.521 1.00 0.00 C ATOM 595 NZ LYS A 38 3.482 15.210 -14.660 1.00 0.00 N ATOM 0 H LYS A 38 1.635 10.832 -11.123 1.00 0.00 H new ATOM 0 HA LYS A 38 0.819 11.544 -13.881 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.438 10.627 -12.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.016 10.105 -14.328 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.336 12.090 -14.549 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.689 12.521 -14.965 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.322 13.588 -12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.777 12.893 -12.156 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.246 15.202 -12.685 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.142 14.204 -13.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.052 16.035 -14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.401 14.559 -15.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.533 15.526 -14.374 1.00 0.00 H new ATOM 609 N THR A 39 1.253 8.580 -12.463 1.00 0.00 N ATOM 610 CA THR A 39 0.787 7.200 -12.476 1.00 0.00 C ATOM 611 C THR A 39 0.091 6.842 -11.169 1.00 0.00 C ATOM 612 O THR A 39 0.529 7.217 -10.081 1.00 0.00 O ATOM 613 CB THR A 39 1.950 6.217 -12.711 1.00 0.00 C ATOM 614 OG1 THR A 39 1.438 4.900 -12.947 1.00 0.00 O ATOM 615 CG2 THR A 39 2.889 6.194 -11.515 1.00 0.00 C ATOM 0 H THR A 39 1.950 8.783 -11.747 1.00 0.00 H new ATOM 0 HA THR A 39 0.076 7.114 -13.298 1.00 0.00 H new ATOM 0 HB THR A 39 2.509 6.552 -13.585 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.183 4.281 -13.097 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.702 5.493 -11.704 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.299 7.191 -11.355 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.340 5.881 -10.627 1.00 0.00 H new ATOM 623 N PRO A 40 -1.021 6.098 -11.274 1.00 0.00 N ATOM 624 CA PRO A 40 -1.801 5.672 -10.108 1.00 0.00 C ATOM 625 C PRO A 40 -1.067 4.633 -9.267 1.00 0.00 C ATOM 626 O PRO A 40 -1.056 3.448 -9.599 1.00 0.00 O ATOM 627 CB PRO A 40 -3.062 5.065 -10.728 1.00 0.00 C ATOM 628 CG PRO A 40 -2.642 4.628 -12.089 1.00 0.00 C ATOM 629 CD PRO A 40 -1.601 5.615 -12.538 1.00 0.00 C ATOM 0 HA PRO A 40 -2.000 6.499 -9.426 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.428 4.225 -10.138 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.869 5.795 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.237 3.616 -12.066 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.490 4.616 -12.774 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -0.849 5.145 -13.172 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.041 6.428 -13.115 1.00 0.00 H new ATOM 637 N MET A 41 -0.457 5.085 -8.177 1.00 0.00 N ATOM 638 CA MET A 41 0.278 4.193 -7.288 1.00 0.00 C ATOM 639 C MET A 41 -0.367 4.150 -5.906 1.00 0.00 C ATOM 640 O MET A 41 -0.911 5.148 -5.433 1.00 0.00 O ATOM 641 CB MET A 41 1.736 4.643 -7.169 1.00 0.00 C ATOM 642 CG MET A 41 2.600 4.221 -8.347 1.00 0.00 C ATOM 643 SD MET A 41 4.326 4.701 -8.149 1.00 0.00 S ATOM 644 CE MET A 41 5.156 3.189 -8.630 1.00 0.00 C ATOM 0 H MET A 41 -0.457 6.063 -7.888 1.00 0.00 H new ATOM 0 HA MET A 41 0.249 3.191 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 41 1.766 5.729 -7.077 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.161 4.234 -6.252 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.539 3.139 -8.468 1.00 0.00 H new ATOM 0 HG3 MET A 41 2.205 4.667 -9.260 1.00 0.00 H new ATOM 0 HE1 MET A 41 6.232 3.310 -8.509 1.00 0.00 H new ATOM 0 HE2 MET A 41 4.810 2.368 -8.002 1.00 0.00 H new ATOM 0 HE3 MET A 41 4.931 2.967 -9.673 1.00 0.00 H new ATOM 654 N CYS A 42 -0.303 2.989 -5.264 1.00 0.00 N ATOM 655 CA CYS A 42 -0.881 2.815 -3.937 1.00 0.00 C ATOM 656 C CYS A 42 0.112 3.227 -2.853 1.00 0.00 C ATOM 657 O CYS A 42 1.322 3.076 -3.017 1.00 0.00 O ATOM 658 CB CYS A 42 -1.306 1.360 -3.729 1.00 0.00 C ATOM 659 SG CYS A 42 0.075 0.172 -3.748 1.00 0.00 S ATOM 0 H CYS A 42 0.144 2.154 -5.642 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.759 3.456 -3.864 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.829 1.278 -2.776 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -2.018 1.086 -4.508 1.00 0.00 H new ATOM 664 N GLU A 43 -0.410 3.746 -1.746 1.00 0.00 N ATOM 665 CA GLU A 43 0.430 4.179 -0.636 1.00 0.00 C ATOM 666 C GLU A 43 1.675 3.304 -0.523 1.00 0.00 C ATOM 667 O GLU A 43 2.767 3.793 -0.233 1.00 0.00 O ATOM 668 CB GLU A 43 -0.357 4.137 0.675 1.00 0.00 C ATOM 669 CG GLU A 43 -0.886 2.756 1.024 1.00 0.00 C ATOM 670 CD GLU A 43 0.103 1.939 1.831 1.00 0.00 C ATOM 671 OE1 GLU A 43 0.927 2.545 2.548 1.00 0.00 O ATOM 672 OE2 GLU A 43 0.054 0.694 1.746 1.00 0.00 O ATOM 0 H GLU A 43 -1.410 3.877 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 43 0.744 5.205 -0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.283 4.487 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.195 4.831 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.813 2.858 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.129 2.222 0.106 1.00 0.00 H new ATOM 679 N LYS A 44 1.502 2.007 -0.752 1.00 0.00 N ATOM 680 CA LYS A 44 2.610 1.062 -0.677 1.00 0.00 C ATOM 681 C LYS A 44 3.701 1.421 -1.681 1.00 0.00 C ATOM 682 O LYS A 44 4.855 1.634 -1.309 1.00 0.00 O ATOM 683 CB LYS A 44 2.111 -0.362 -0.937 1.00 0.00 C ATOM 684 CG LYS A 44 3.136 -1.434 -0.610 1.00 0.00 C ATOM 685 CD LYS A 44 2.468 -2.731 -0.184 1.00 0.00 C ATOM 686 CE LYS A 44 3.442 -3.899 -0.226 1.00 0.00 C ATOM 687 NZ LYS A 44 2.749 -5.189 -0.501 1.00 0.00 N ATOM 0 H LYS A 44 0.604 1.586 -0.991 1.00 0.00 H new ATOM 0 HA LYS A 44 3.033 1.115 0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.213 -0.537 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.825 -0.452 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.764 -1.616 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.791 -1.082 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 44 2.071 -2.623 0.825 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.622 -2.938 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.193 -3.719 -0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.970 -3.966 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.446 -5.960 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.050 -5.374 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.266 -5.134 -1.420 1.00 0.00 H new ATOM 701 N CYS A 45 3.328 1.488 -2.955 1.00 0.00 N ATOM 702 CA CYS A 45 4.273 1.822 -4.013 1.00 0.00 C ATOM 703 C CYS A 45 4.610 3.311 -3.991 1.00 0.00 C ATOM 704 O CYS A 45 5.780 3.693 -4.000 1.00 0.00 O ATOM 705 CB CYS A 45 3.701 1.438 -5.378 1.00 0.00 C ATOM 706 SG CYS A 45 3.191 -0.306 -5.506 1.00 0.00 S ATOM 0 H CYS A 45 2.377 1.315 -3.279 1.00 0.00 H new ATOM 0 HA CYS A 45 5.189 1.257 -3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.842 2.073 -5.592 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.448 1.644 -6.144 1.00 0.00 H new ATOM 711 N ARG A 46 3.576 4.145 -3.962 1.00 0.00 N ATOM 712 CA ARG A 46 3.761 5.591 -3.939 1.00 0.00 C ATOM 713 C ARG A 46 5.029 5.965 -3.178 1.00 0.00 C ATOM 714 O ARG A 46 6.010 6.418 -3.768 1.00 0.00 O ATOM 715 CB ARG A 46 2.549 6.272 -3.300 1.00 0.00 C ATOM 716 CG ARG A 46 1.276 6.146 -4.121 1.00 0.00 C ATOM 717 CD ARG A 46 0.268 7.224 -3.754 1.00 0.00 C ATOM 718 NE ARG A 46 -0.486 6.880 -2.551 1.00 0.00 N ATOM 719 CZ ARG A 46 -1.212 7.755 -1.863 1.00 0.00 C ATOM 720 NH1 ARG A 46 -1.282 9.019 -2.259 1.00 0.00 N ATOM 721 NH2 ARG A 46 -1.870 7.367 -0.779 1.00 0.00 N ATOM 0 H ARG A 46 2.601 3.844 -3.954 1.00 0.00 H new ATOM 0 HA ARG A 46 3.861 5.936 -4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.379 5.841 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.773 7.328 -3.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.517 6.218 -5.182 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.834 5.163 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.788 8.169 -3.598 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.422 7.373 -4.584 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.453 5.915 -2.221 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.778 9.321 -3.093 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.840 9.689 -1.730 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.819 6.396 -0.472 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.427 8.040 -0.252 1.00 0.00 H new ATOM 735 N LYS A 47 5.001 5.773 -1.863 1.00 0.00 N ATOM 736 CA LYS A 47 6.148 6.089 -1.019 1.00 0.00 C ATOM 737 C LYS A 47 7.429 5.498 -1.599 1.00 0.00 C ATOM 738 O LYS A 47 8.480 6.140 -1.587 1.00 0.00 O ATOM 739 CB LYS A 47 5.925 5.559 0.399 1.00 0.00 C ATOM 740 CG LYS A 47 5.997 4.045 0.500 1.00 0.00 C ATOM 741 CD LYS A 47 5.926 3.579 1.945 1.00 0.00 C ATOM 742 CE LYS A 47 6.665 2.264 2.143 1.00 0.00 C ATOM 743 NZ LYS A 47 6.268 1.247 1.130 1.00 0.00 N ATOM 0 H LYS A 47 4.197 5.400 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 47 6.253 7.173 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.672 5.995 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.950 5.893 0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.178 3.602 -0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.924 3.693 0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.356 4.341 2.596 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.883 3.460 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.739 2.438 2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.461 1.880 3.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.976 0.373 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.475 1.612 0.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.075 1.046 0.506 1.00 0.00 H new ATOM 757 N ASP A 48 7.334 4.274 -2.105 1.00 0.00 N ATOM 758 CA ASP A 48 8.486 3.598 -2.692 1.00 0.00 C ATOM 759 C ASP A 48 9.077 4.422 -3.831 1.00 0.00 C ATOM 760 O ASP A 48 8.513 5.440 -4.232 1.00 0.00 O ATOM 761 CB ASP A 48 8.085 2.213 -3.202 1.00 0.00 C ATOM 762 CG ASP A 48 9.286 1.337 -3.502 1.00 0.00 C ATOM 763 OD1 ASP A 48 9.990 0.948 -2.547 1.00 0.00 O ATOM 764 OD2 ASP A 48 9.521 1.040 -4.692 1.00 0.00 O ATOM 0 H ASP A 48 6.472 3.729 -2.121 1.00 0.00 H new ATOM 0 HA ASP A 48 9.245 3.486 -1.918 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.458 1.722 -2.458 1.00 0.00 H new ATOM 0 HB3 ASP A 48 7.483 2.321 -4.104 1.00 0.00 H new ATOM 769 N SER A 49 10.217 3.975 -4.348 1.00 0.00 N ATOM 770 CA SER A 49 10.888 4.674 -5.438 1.00 0.00 C ATOM 771 C SER A 49 10.330 4.236 -6.789 1.00 0.00 C ATOM 772 O SER A 49 9.893 3.097 -6.953 1.00 0.00 O ATOM 773 CB SER A 49 12.395 4.413 -5.388 1.00 0.00 C ATOM 774 OG SER A 49 13.046 5.347 -4.543 1.00 0.00 O ATOM 0 H SER A 49 10.695 3.132 -4.030 1.00 0.00 H new ATOM 0 HA SER A 49 10.707 5.742 -5.318 1.00 0.00 H new ATOM 0 HB2 SER A 49 12.580 3.401 -5.028 1.00 0.00 H new ATOM 0 HB3 SER A 49 12.812 4.475 -6.393 1.00 0.00 H new ATOM 0 HG SER A 49 14.008 5.158 -4.526 1.00 0.00 H new ATOM 780 N CYS A 50 10.348 5.150 -7.753 1.00 0.00 N ATOM 781 CA CYS A 50 9.843 4.860 -9.090 1.00 0.00 C ATOM 782 C CYS A 50 10.474 5.789 -10.123 1.00 0.00 C ATOM 783 O CYS A 50 10.962 6.867 -9.785 1.00 0.00 O ATOM 784 CB CYS A 50 8.320 5.000 -9.124 1.00 0.00 C ATOM 785 SG CYS A 50 7.731 6.701 -8.948 1.00 0.00 S ATOM 0 H CYS A 50 10.707 6.097 -7.634 1.00 0.00 H new ATOM 0 HA CYS A 50 10.112 3.833 -9.338 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.949 4.594 -10.065 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.892 4.394 -8.325 1.00 0.00 H new ATOM 0 HG CYS A 50 6.432 6.717 -8.991 1.00 0.00 H new ATOM 791 N GLN A 51 10.461 5.361 -11.381 1.00 0.00 N ATOM 792 CA GLN A 51 11.035 6.154 -12.462 1.00 0.00 C ATOM 793 C GLN A 51 10.191 6.040 -13.728 1.00 0.00 C ATOM 794 O GLN A 51 9.978 4.944 -14.245 1.00 0.00 O ATOM 795 CB GLN A 51 12.468 5.703 -12.748 1.00 0.00 C ATOM 796 CG GLN A 51 13.513 6.431 -11.918 1.00 0.00 C ATOM 797 CD GLN A 51 13.360 7.938 -11.979 1.00 0.00 C ATOM 798 OE1 GLN A 51 12.816 8.557 -11.064 1.00 0.00 O ATOM 799 NE2 GLN A 51 13.840 8.539 -13.062 1.00 0.00 N ATOM 0 H GLN A 51 10.060 4.471 -11.677 1.00 0.00 H new ATOM 0 HA GLN A 51 11.046 7.198 -12.147 1.00 0.00 H new ATOM 0 HB2 GLN A 51 12.547 4.632 -12.559 1.00 0.00 H new ATOM 0 HB3 GLN A 51 12.684 5.857 -13.805 1.00 0.00 H new ATOM 0 HG2 GLN A 51 13.440 6.104 -10.881 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.507 6.156 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 51 14.284 7.988 -13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 51 13.765 9.552 -13.159 1.00 0.00 H new ATOM 808 N GLU A 52 9.715 7.179 -14.220 1.00 0.00 N ATOM 809 CA GLU A 52 8.894 7.205 -15.425 1.00 0.00 C ATOM 810 C GLU A 52 9.495 8.136 -16.473 1.00 0.00 C ATOM 811 O GLU A 52 10.214 9.078 -16.143 1.00 0.00 O ATOM 812 CB GLU A 52 7.469 7.651 -15.088 1.00 0.00 C ATOM 813 CG GLU A 52 6.493 7.493 -16.241 1.00 0.00 C ATOM 814 CD GLU A 52 5.061 7.785 -15.838 1.00 0.00 C ATOM 815 OE1 GLU A 52 4.862 8.556 -14.876 1.00 0.00 O ATOM 816 OE2 GLU A 52 4.139 7.244 -16.484 1.00 0.00 O ATOM 0 H GLU A 52 9.883 8.095 -13.804 1.00 0.00 H new ATOM 0 HA GLU A 52 8.864 6.196 -15.835 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.109 7.074 -14.236 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.488 8.696 -14.780 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.782 8.163 -17.051 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.557 6.477 -16.629 1.00 0.00 H new ATOM 823 N ALA A 53 9.196 7.864 -17.739 1.00 0.00 N ATOM 824 CA ALA A 53 9.705 8.678 -18.836 1.00 0.00 C ATOM 825 C ALA A 53 8.671 8.808 -19.949 1.00 0.00 C ATOM 826 O ALA A 53 8.407 7.853 -20.680 1.00 0.00 O ATOM 827 CB ALA A 53 10.995 8.082 -19.380 1.00 0.00 C ATOM 0 H ALA A 53 8.604 7.086 -18.030 1.00 0.00 H new ATOM 0 HA ALA A 53 9.912 9.676 -18.449 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.364 8.700 -20.199 1.00 0.00 H new ATOM 0 HB2 ALA A 53 11.742 8.046 -18.587 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.804 7.073 -19.745 1.00 0.00 H new ATOM 833 N ALA A 54 8.087 9.995 -20.072 1.00 0.00 N ATOM 834 CA ALA A 54 7.082 10.250 -21.097 1.00 0.00 C ATOM 835 C ALA A 54 6.905 11.746 -21.333 1.00 0.00 C ATOM 836 O ALA A 54 7.402 12.569 -20.563 1.00 0.00 O ATOM 837 CB ALA A 54 5.756 9.615 -20.706 1.00 0.00 C ATOM 0 H ALA A 54 8.292 10.796 -19.474 1.00 0.00 H new ATOM 0 HA ALA A 54 7.427 9.800 -22.028 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.015 9.814 -21.480 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.887 8.538 -20.596 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.415 10.037 -19.761 1.00 0.00 H new ATOM 843 N LEU A 55 6.195 12.093 -22.401 1.00 0.00 N ATOM 844 CA LEU A 55 5.953 13.491 -22.738 1.00 0.00 C ATOM 845 C LEU A 55 4.460 13.803 -22.730 1.00 0.00 C ATOM 846 O LEU A 55 3.741 13.470 -23.671 1.00 0.00 O ATOM 847 CB LEU A 55 6.546 13.815 -24.111 1.00 0.00 C ATOM 848 CG LEU A 55 8.031 14.177 -24.133 1.00 0.00 C ATOM 849 CD1 LEU A 55 8.325 15.283 -23.131 1.00 0.00 C ATOM 850 CD2 LEU A 55 8.884 12.951 -23.842 1.00 0.00 C ATOM 0 H LEU A 55 5.777 11.425 -23.048 1.00 0.00 H new ATOM 0 HA LEU A 55 6.439 14.110 -21.984 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.393 12.955 -24.763 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.984 14.644 -24.540 1.00 0.00 H new ATOM 0 HG LEU A 55 8.282 14.541 -25.129 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.387 15.528 -23.160 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.741 16.168 -23.384 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.058 14.947 -22.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.938 13.228 -23.862 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.631 12.557 -22.858 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.695 12.189 -24.598 1.00 0.00 H new ATOM 862 N ASN A 56 4.001 14.446 -21.661 1.00 0.00 N ATOM 863 CA ASN A 56 2.594 14.804 -21.530 1.00 0.00 C ATOM 864 C ASN A 56 2.194 15.832 -22.585 1.00 0.00 C ATOM 865 O ASN A 56 2.993 16.687 -22.969 1.00 0.00 O ATOM 866 CB ASN A 56 2.314 15.358 -20.131 1.00 0.00 C ATOM 867 CG ASN A 56 3.453 16.213 -19.610 1.00 0.00 C ATOM 868 OD1 ASN A 56 4.057 16.984 -20.356 1.00 0.00 O ATOM 869 ND2 ASN A 56 3.750 16.081 -18.323 1.00 0.00 N ATOM 0 H ASN A 56 4.583 14.730 -20.873 1.00 0.00 H new ATOM 0 HA ASN A 56 2.000 13.903 -21.682 1.00 0.00 H new ATOM 0 HB2 ASN A 56 1.399 15.951 -20.154 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.140 14.530 -19.443 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.506 16.631 -17.915 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.222 15.429 -17.742 1.00 0.00 H new ATOM 876 N LYS A 57 0.952 15.743 -23.049 1.00 0.00 N ATOM 877 CA LYS A 57 0.444 16.665 -24.058 1.00 0.00 C ATOM 878 C LYS A 57 -0.714 17.490 -23.506 1.00 0.00 C ATOM 879 O LYS A 57 -1.739 17.659 -24.168 1.00 0.00 O ATOM 880 CB LYS A 57 -0.010 15.895 -25.300 1.00 0.00 C ATOM 881 CG LYS A 57 -0.192 16.773 -26.526 1.00 0.00 C ATOM 882 CD LYS A 57 1.059 16.794 -27.387 1.00 0.00 C ATOM 883 CE LYS A 57 2.007 17.906 -26.965 1.00 0.00 C ATOM 884 NZ LYS A 57 1.361 19.245 -27.041 1.00 0.00 N ATOM 0 H LYS A 57 0.278 15.041 -22.742 1.00 0.00 H new ATOM 0 HA LYS A 57 1.251 17.343 -24.334 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.722 15.119 -25.524 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.951 15.391 -25.081 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.034 16.408 -27.114 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.437 17.788 -26.214 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.568 15.833 -27.314 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.781 16.929 -28.432 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.348 17.725 -25.946 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.890 17.892 -27.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.998 19.911 -27.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.470 19.171 -27.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.163 19.590 -26.080 1.00 0.00 H new ATOM 898 N ASP A 58 -0.544 18.003 -22.292 1.00 0.00 N ATOM 899 CA ASP A 58 -1.575 18.813 -21.653 1.00 0.00 C ATOM 900 C ASP A 58 -1.537 20.248 -22.170 1.00 0.00 C ATOM 901 O ASP A 58 -0.618 21.005 -21.859 1.00 0.00 O ATOM 902 CB ASP A 58 -1.395 18.800 -20.135 1.00 0.00 C ATOM 903 CG ASP A 58 -2.045 19.994 -19.464 1.00 0.00 C ATOM 904 OD1 ASP A 58 -1.403 21.063 -19.406 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.196 19.859 -18.997 1.00 0.00 O ATOM 0 H ASP A 58 0.298 17.872 -21.731 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.546 18.383 -21.900 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.821 17.883 -19.729 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.331 18.789 -19.898 1.00 0.00 H new ATOM 910 N GLU A 59 -2.540 20.613 -22.962 1.00 0.00 N ATOM 911 CA GLU A 59 -2.619 21.957 -23.523 1.00 0.00 C ATOM 912 C GLU A 59 -3.980 22.586 -23.238 1.00 0.00 C ATOM 913 O GLU A 59 -4.068 23.747 -22.840 1.00 0.00 O ATOM 914 CB GLU A 59 -2.369 21.919 -25.032 1.00 0.00 C ATOM 915 CG GLU A 59 -1.881 23.240 -25.601 1.00 0.00 C ATOM 916 CD GLU A 59 -2.280 23.434 -27.051 1.00 0.00 C ATOM 917 OE1 GLU A 59 -1.685 22.770 -27.925 1.00 0.00 O ATOM 918 OE2 GLU A 59 -3.189 24.250 -27.311 1.00 0.00 O ATOM 0 H GLU A 59 -3.308 19.998 -23.230 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.849 22.567 -23.049 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.633 21.145 -25.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.292 21.634 -25.538 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.283 24.059 -25.005 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.795 23.288 -25.517 1.00 0.00 H new ATOM 925 N GLY A 60 -5.040 21.810 -23.446 1.00 0.00 N ATOM 926 CA GLY A 60 -6.382 22.308 -23.207 1.00 0.00 C ATOM 927 C GLY A 60 -7.194 22.421 -24.482 1.00 0.00 C ATOM 928 O GLY A 60 -6.649 22.696 -25.551 1.00 0.00 O ATOM 0 H GLY A 60 -4.993 20.846 -23.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.894 21.643 -22.511 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.324 23.286 -22.729 1.00 0.00 H new ATOM 932 N ASN A 61 -8.501 22.206 -24.371 1.00 0.00 N ATOM 933 CA ASN A 61 -9.389 22.283 -25.525 1.00 0.00 C ATOM 934 C ASN A 61 -9.875 23.712 -25.744 1.00 0.00 C ATOM 935 O ASN A 61 -9.660 24.295 -26.806 1.00 0.00 O ATOM 936 CB ASN A 61 -10.586 21.348 -25.336 1.00 0.00 C ATOM 937 CG ASN A 61 -11.167 20.879 -26.656 1.00 0.00 C ATOM 938 OD1 ASN A 61 -10.452 20.356 -27.511 1.00 0.00 O ATOM 939 ND2 ASN A 61 -12.470 21.066 -26.828 1.00 0.00 N ATOM 0 H ASN A 61 -8.968 21.977 -23.494 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.828 21.971 -26.406 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -10.278 20.482 -24.749 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.359 21.862 -24.764 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -12.917 20.772 -27.696 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.024 21.504 -26.092 1.00 0.00 H new ATOM 946 N GLU A 62 -10.530 24.270 -24.730 1.00 0.00 N ATOM 947 CA GLU A 62 -11.046 25.631 -24.812 1.00 0.00 C ATOM 948 C GLU A 62 -10.579 26.463 -23.622 1.00 0.00 C ATOM 949 O GLU A 62 -9.852 27.444 -23.783 1.00 0.00 O ATOM 950 CB GLU A 62 -12.575 25.618 -24.870 1.00 0.00 C ATOM 951 CG GLU A 62 -13.130 25.554 -26.283 1.00 0.00 C ATOM 952 CD GLU A 62 -13.257 24.134 -26.798 1.00 0.00 C ATOM 953 OE1 GLU A 62 -14.289 23.490 -26.513 1.00 0.00 O ATOM 954 OE2 GLU A 62 -12.324 23.665 -27.483 1.00 0.00 O ATOM 0 H GLU A 62 -10.715 23.801 -23.844 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.659 26.084 -25.724 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.944 24.762 -24.305 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.956 26.513 -24.379 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.109 26.034 -26.307 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.481 26.121 -26.950 1.00 0.00 H new ATOM 961 N SER A 63 -11.002 26.065 -22.426 1.00 0.00 N ATOM 962 CA SER A 63 -10.631 26.775 -21.208 1.00 0.00 C ATOM 963 C SER A 63 -10.001 25.824 -20.195 1.00 0.00 C ATOM 964 O SER A 63 -9.910 24.620 -20.430 1.00 0.00 O ATOM 965 CB SER A 63 -11.858 27.453 -20.594 1.00 0.00 C ATOM 966 OG SER A 63 -12.463 28.343 -21.515 1.00 0.00 O ATOM 0 H SER A 63 -11.602 25.254 -22.275 1.00 0.00 H new ATOM 0 HA SER A 63 -9.897 27.537 -21.470 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.580 26.696 -20.287 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.565 27.997 -19.696 1.00 0.00 H new ATOM 0 HG SER A 63 -13.245 28.762 -21.099 1.00 0.00 H new ATOM 972 N GLY A 64 -9.565 26.376 -19.066 1.00 0.00 N ATOM 973 CA GLY A 64 -8.949 25.564 -18.034 1.00 0.00 C ATOM 974 C GLY A 64 -8.969 26.238 -16.676 1.00 0.00 C ATOM 975 O GLY A 64 -8.294 27.246 -16.464 1.00 0.00 O ATOM 0 H GLY A 64 -9.628 27.371 -18.849 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.469 24.608 -17.969 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.918 25.348 -18.314 1.00 0.00 H new ATOM 979 N LYS A 65 -9.748 25.683 -15.754 1.00 0.00 N ATOM 980 CA LYS A 65 -9.855 26.236 -14.409 1.00 0.00 C ATOM 981 C LYS A 65 -8.554 26.045 -13.636 1.00 0.00 C ATOM 982 O LYS A 65 -7.959 27.009 -13.154 1.00 0.00 O ATOM 983 CB LYS A 65 -11.011 25.575 -13.654 1.00 0.00 C ATOM 984 CG LYS A 65 -11.081 25.964 -12.187 1.00 0.00 C ATOM 985 CD LYS A 65 -11.457 27.426 -12.016 1.00 0.00 C ATOM 986 CE LYS A 65 -11.593 27.798 -10.547 1.00 0.00 C ATOM 987 NZ LYS A 65 -11.603 29.274 -10.348 1.00 0.00 N ATOM 0 H LYS A 65 -10.315 24.850 -15.914 1.00 0.00 H new ATOM 0 HA LYS A 65 -10.050 27.305 -14.498 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.950 25.843 -14.138 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.911 24.492 -13.730 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.813 25.337 -11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.117 25.777 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.699 28.055 -12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.397 27.624 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.513 27.371 -10.148 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.768 27.361 -9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.697 29.487 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.714 29.679 -10.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.405 29.689 -10.865 1.00 0.00 H new ATOM 1001 N LYS A 66 -8.116 24.796 -13.523 1.00 0.00 N ATOM 1002 CA LYS A 66 -6.884 24.477 -12.812 1.00 0.00 C ATOM 1003 C LYS A 66 -5.770 24.116 -13.789 1.00 0.00 C ATOM 1004 O LYS A 66 -5.452 22.941 -13.978 1.00 0.00 O ATOM 1005 CB LYS A 66 -7.118 23.321 -11.837 1.00 0.00 C ATOM 1006 CG LYS A 66 -7.758 22.103 -12.481 1.00 0.00 C ATOM 1007 CD LYS A 66 -8.134 21.058 -11.444 1.00 0.00 C ATOM 1008 CE LYS A 66 -9.569 21.231 -10.972 1.00 0.00 C ATOM 1009 NZ LYS A 66 -9.664 22.163 -9.814 1.00 0.00 N ATOM 0 H LYS A 66 -8.597 23.987 -13.916 1.00 0.00 H new ATOM 0 HA LYS A 66 -6.578 25.360 -12.251 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -6.165 23.030 -11.396 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.754 23.667 -11.022 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.648 22.407 -13.032 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.068 21.668 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.007 20.062 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.458 21.130 -10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.178 21.609 -11.793 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.978 20.261 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -10.545 21.981 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -8.851 22.015 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.662 23.145 -10.157 1.00 0.00 H new ATOM 1023 N THR A 67 -5.177 25.133 -14.407 1.00 0.00 N ATOM 1024 CA THR A 67 -4.098 24.922 -15.363 1.00 0.00 C ATOM 1025 C THR A 67 -3.488 26.247 -15.804 1.00 0.00 C ATOM 1026 O THR A 67 -4.164 27.087 -16.398 1.00 0.00 O ATOM 1027 CB THR A 67 -4.592 24.158 -16.607 1.00 0.00 C ATOM 1028 OG1 THR A 67 -3.708 24.394 -17.709 1.00 0.00 O ATOM 1029 CG2 THR A 67 -6.002 24.587 -16.981 1.00 0.00 C ATOM 0 H THR A 67 -5.426 26.111 -14.262 1.00 0.00 H new ATOM 0 HA THR A 67 -3.339 24.326 -14.857 1.00 0.00 H new ATOM 0 HB THR A 67 -4.604 23.094 -16.372 1.00 0.00 H new ATOM 0 HG1 THR A 67 -4.027 23.904 -18.495 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.329 24.034 -17.862 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.678 24.380 -16.151 1.00 0.00 H new ATOM 0 HG23 THR A 67 -6.012 25.655 -17.199 1.00 0.00 H new ATOM 1037 N SER A 68 -2.204 26.429 -15.511 1.00 0.00 N ATOM 1038 CA SER A 68 -1.503 27.654 -15.874 1.00 0.00 C ATOM 1039 C SER A 68 -1.509 27.855 -17.387 1.00 0.00 C ATOM 1040 O SER A 68 -0.622 27.377 -18.092 1.00 0.00 O ATOM 1041 CB SER A 68 -0.062 27.615 -15.360 1.00 0.00 C ATOM 1042 OG SER A 68 0.638 26.503 -15.890 1.00 0.00 O ATOM 0 H SER A 68 -1.628 25.743 -15.023 1.00 0.00 H new ATOM 0 HA SER A 68 -2.024 28.492 -15.410 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.451 28.537 -15.635 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.062 27.563 -14.271 1.00 0.00 H new ATOM 0 HG SER A 68 0.441 26.418 -16.846 1.00 0.00 H new ATOM 1048 N GLY A 69 -2.518 28.569 -17.878 1.00 0.00 N ATOM 1049 CA GLY A 69 -2.622 28.821 -19.304 1.00 0.00 C ATOM 1050 C GLY A 69 -2.272 30.251 -19.666 1.00 0.00 C ATOM 1051 O GLY A 69 -1.111 30.590 -19.893 1.00 0.00 O ATOM 0 H GLY A 69 -3.264 28.977 -17.315 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.959 28.141 -19.839 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.637 28.603 -19.635 1.00 0.00 H new ATOM 1055 N PRO A 70 -3.295 31.117 -19.727 1.00 0.00 N ATOM 1056 CA PRO A 70 -3.114 32.532 -20.066 1.00 0.00 C ATOM 1057 C PRO A 70 -2.397 33.305 -18.964 1.00 0.00 C ATOM 1058 O PRO A 70 -3.018 33.750 -18.000 1.00 0.00 O ATOM 1059 CB PRO A 70 -4.548 33.043 -20.231 1.00 0.00 C ATOM 1060 CG PRO A 70 -5.375 32.127 -19.396 1.00 0.00 C ATOM 1061 CD PRO A 70 -4.705 30.782 -19.469 1.00 0.00 C ATOM 0 HA PRO A 70 -2.495 32.663 -20.954 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.641 34.076 -19.896 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -4.860 33.017 -21.275 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.430 32.480 -18.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.398 32.074 -19.770 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.822 30.224 -18.540 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.124 30.167 -20.265 1.00 0.00 H new ATOM 1069 N SER A 71 -1.085 33.460 -19.115 1.00 0.00 N ATOM 1070 CA SER A 71 -0.282 34.177 -18.131 1.00 0.00 C ATOM 1071 C SER A 71 -0.168 35.654 -18.495 1.00 0.00 C ATOM 1072 O SER A 71 0.175 36.487 -17.656 1.00 0.00 O ATOM 1073 CB SER A 71 1.112 33.555 -18.029 1.00 0.00 C ATOM 1074 OG SER A 71 1.816 33.678 -19.252 1.00 0.00 O ATOM 0 H SER A 71 -0.556 33.099 -19.909 1.00 0.00 H new ATOM 0 HA SER A 71 -0.779 34.097 -17.164 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.674 34.042 -17.232 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.025 32.502 -17.760 1.00 0.00 H new ATOM 0 HG SER A 71 2.704 33.274 -19.160 1.00 0.00 H new ATOM 1080 N SER A 72 -0.457 35.971 -19.753 1.00 0.00 N ATOM 1081 CA SER A 72 -0.383 37.347 -20.231 1.00 0.00 C ATOM 1082 C SER A 72 -1.594 38.149 -19.766 1.00 0.00 C ATOM 1083 O SER A 72 -2.614 38.210 -20.451 1.00 0.00 O ATOM 1084 CB SER A 72 -0.295 37.374 -21.758 1.00 0.00 C ATOM 1085 OG SER A 72 0.396 38.527 -22.208 1.00 0.00 O ATOM 0 H SER A 72 -0.745 35.294 -20.460 1.00 0.00 H new ATOM 0 HA SER A 72 0.515 37.803 -19.814 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.216 36.479 -22.112 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.298 37.358 -22.184 1.00 0.00 H new ATOM 0 HG SER A 72 0.441 38.520 -23.187 1.00 0.00 H new ATOM 1091 N GLY A 73 -1.473 38.765 -18.594 1.00 0.00 N ATOM 1092 CA GLY A 73 -2.565 39.556 -18.055 1.00 0.00 C ATOM 1093 C GLY A 73 -3.006 39.079 -16.686 1.00 0.00 C ATOM 1094 O GLY A 73 -3.575 39.867 -15.932 1.00 0.00 O ATOM 0 H GLY A 73 -0.639 38.731 -18.008 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.256 40.599 -17.991 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.412 39.516 -18.740 1.00 0.00 H new TER 1098 GLY A 73 HETATM 1099 ZN ZN A 201 0.890 -0.394 -5.841 1.00 0.00 ZN