USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 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 85 HIS HD1 : A 85 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 123 GLN : amide:sc= -2.7 X(o=-4.2,f=-4!) USER MOD Set 1.2: A 124 CYS SG : rot 85:sc= -1.45! USER MOD Single : A 64 HIS : no HD1:sc= 0.122 K(o=0.12,f=-1.4!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.263 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -1.08 K(o=-1.1,f=-4.5!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 80:sc= 0.717 USER MOD Single : A 113 THR OG1 : rot -140:sc= -0.0538 USER MOD Single : A 121 LYS NZ :NH3+ -160:sc= 1.02 (180deg=0.758) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 126 SER OG : rot 159:sc= 1.09 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.33) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -127:sc= -0.117 (180deg=-0.831) USER MOD Single : A 138 SER OG : rot -90:sc= -0.864 USER MOD Single : A 140 SER OG : rot 170:sc= -0.377 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 62.859 2.893 19.548 1.00 0.00 N ATOM 2 CA GLY A 54 63.319 1.961 18.526 1.00 0.00 C ATOM 3 C GLY A 54 62.211 1.663 17.524 1.00 0.00 C ATOM 4 O GLY A 54 61.144 2.277 17.559 1.00 0.00 O ATOM 0 HA2 GLY A 54 64.181 2.380 18.007 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.649 1.034 18.995 1.00 0.00 H new ATOM 8 N GLY A 55 62.475 0.717 16.630 1.00 0.00 N ATOM 9 CA GLY A 55 61.496 0.343 15.618 1.00 0.00 C ATOM 10 C GLY A 55 61.545 1.292 14.421 1.00 0.00 C ATOM 11 O GLY A 55 60.775 1.137 13.474 1.00 0.00 O ATOM 0 H GLY A 55 63.352 0.199 16.585 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.686 -0.677 15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 55 60.497 0.355 16.054 1.00 0.00 H new ATOM 15 N ALA A 56 62.451 2.268 14.466 1.00 0.00 N ATOM 16 CA ALA A 56 62.578 3.225 13.379 1.00 0.00 C ATOM 17 C ALA A 56 61.274 4.003 13.197 1.00 0.00 C ATOM 18 O ALA A 56 60.273 3.462 12.725 1.00 0.00 O ATOM 19 CB ALA A 56 62.941 2.502 12.079 1.00 0.00 C ATOM 0 H ALA A 56 63.101 2.413 15.239 1.00 0.00 H new ATOM 0 HA ALA A 56 63.373 3.928 13.628 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.033 3.229 11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.889 1.979 12.206 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.160 1.783 11.832 1.00 0.00 H new ATOM 25 N GLU A 57 61.301 5.280 13.562 1.00 0.00 N ATOM 26 CA GLU A 57 60.129 6.144 13.429 1.00 0.00 C ATOM 27 C GLU A 57 60.073 6.767 12.037 1.00 0.00 C ATOM 28 O GLU A 57 59.500 7.841 11.834 1.00 0.00 O ATOM 29 CB GLU A 57 60.174 7.246 14.478 1.00 0.00 C ATOM 30 CG GLU A 57 59.850 6.656 15.850 1.00 0.00 C ATOM 31 CD GLU A 57 60.103 7.687 16.943 1.00 0.00 C ATOM 32 OE1 GLU A 57 60.745 8.685 16.655 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.654 7.464 18.056 1.00 0.00 O ATOM 0 H GLU A 57 62.122 5.742 13.953 1.00 0.00 H new ATOM 0 HA GLU A 57 59.237 5.536 13.577 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.161 7.709 14.493 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.458 8.030 14.229 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.809 6.334 15.878 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.462 5.771 16.027 1.00 0.00 H new ATOM 40 N ALA A 58 60.665 6.076 11.076 1.00 0.00 N ATOM 41 CA ALA A 58 60.686 6.543 9.702 1.00 0.00 C ATOM 42 C ALA A 58 59.284 6.676 9.136 1.00 0.00 C ATOM 43 O ALA A 58 59.087 7.272 8.084 1.00 0.00 O ATOM 44 CB ALA A 58 61.548 5.630 8.839 1.00 0.00 C ATOM 0 H ALA A 58 61.139 5.185 11.225 1.00 0.00 H new ATOM 0 HA ALA A 58 61.131 7.538 9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.551 5.996 7.812 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.568 5.621 9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.143 4.618 8.862 1.00 0.00 H new ATOM 50 N LEU A 59 58.315 6.130 9.850 1.00 0.00 N ATOM 51 CA LEU A 59 56.922 6.198 9.436 1.00 0.00 C ATOM 52 C LEU A 59 56.542 7.617 9.029 1.00 0.00 C ATOM 53 O LEU A 59 55.603 7.818 8.260 1.00 0.00 O ATOM 54 CB LEU A 59 56.059 5.769 10.611 1.00 0.00 C ATOM 55 CG LEU A 59 56.181 4.263 10.798 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.685 3.902 12.189 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.322 3.530 9.759 1.00 0.00 C ATOM 0 H LEU A 59 58.468 5.631 10.726 1.00 0.00 H new ATOM 0 HA LEU A 59 56.770 5.544 8.577 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.374 6.287 11.517 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.019 6.042 10.433 1.00 0.00 H new ATOM 0 HG LEU A 59 57.223 3.967 10.674 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.767 2.825 12.336 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.289 4.417 12.936 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.643 4.204 12.294 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.417 2.454 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.278 3.821 9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.659 3.794 8.757 1.00 0.00 H new ATOM 69 N GLU A 60 57.275 8.599 9.542 1.00 0.00 N ATOM 70 CA GLU A 60 56.994 9.983 9.205 1.00 0.00 C ATOM 71 C GLU A 60 57.117 10.205 7.708 1.00 0.00 C ATOM 72 O GLU A 60 56.288 10.881 7.099 1.00 0.00 O ATOM 73 CB GLU A 60 57.971 10.913 9.926 1.00 0.00 C ATOM 74 CG GLU A 60 57.662 10.919 11.422 1.00 0.00 C ATOM 75 CD GLU A 60 58.731 11.707 12.170 1.00 0.00 C ATOM 76 OE1 GLU A 60 59.739 12.025 11.561 1.00 0.00 O ATOM 77 OE2 GLU A 60 58.524 11.979 13.340 1.00 0.00 O ATOM 0 H GLU A 60 58.056 8.463 10.183 1.00 0.00 H new ATOM 0 HA GLU A 60 55.974 10.205 9.520 1.00 0.00 H new ATOM 0 HB2 GLU A 60 58.996 10.582 9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 60 57.892 11.923 9.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 56.682 11.362 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 60 57.622 9.897 11.798 1.00 0.00 H new ATOM 84 N LEU A 61 58.153 9.637 7.122 1.00 0.00 N ATOM 85 CA LEU A 61 58.374 9.782 5.689 1.00 0.00 C ATOM 86 C LEU A 61 57.988 8.507 4.933 1.00 0.00 C ATOM 87 O LEU A 61 57.391 8.579 3.861 1.00 0.00 O ATOM 88 CB LEU A 61 59.840 10.105 5.438 1.00 0.00 C ATOM 89 CG LEU A 61 60.255 11.321 6.268 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.719 11.636 6.001 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.394 12.536 5.902 1.00 0.00 C ATOM 0 H LEU A 61 58.852 9.075 7.608 1.00 0.00 H new ATOM 0 HA LEU A 61 57.744 10.593 5.323 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.460 9.247 5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.001 10.305 4.379 1.00 0.00 H new ATOM 0 HG LEU A 61 60.112 11.095 7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.018 12.502 6.591 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.332 10.779 6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 61 61.857 11.853 4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.701 13.393 6.501 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.522 12.767 4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.346 12.312 6.100 1.00 0.00 H new ATOM 103 N LEU A 62 58.335 7.350 5.509 1.00 0.00 N ATOM 104 CA LEU A 62 58.034 6.060 4.911 1.00 0.00 C ATOM 105 C LEU A 62 58.295 4.953 5.927 1.00 0.00 C ATOM 106 O LEU A 62 57.386 4.575 6.657 1.00 0.00 O ATOM 107 CB LEU A 62 58.878 5.858 3.649 1.00 0.00 C ATOM 108 CG LEU A 62 57.999 6.079 2.423 1.00 0.00 C ATOM 109 CD1 LEU A 62 58.814 6.775 1.325 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.499 4.724 1.918 1.00 0.00 C ATOM 0 H LEU A 62 58.830 7.290 6.399 1.00 0.00 H new ATOM 0 HA LEU A 62 56.983 6.026 4.624 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.716 6.554 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.299 4.853 3.634 1.00 0.00 H new ATOM 0 HG LEU A 62 57.148 6.708 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.185 6.932 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.172 7.737 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.665 6.151 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.869 4.872 1.041 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.351 4.098 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.920 4.235 2.701 1.00 0.00 H new ATOM 122 N GLU A 63 59.536 4.458 5.966 1.00 0.00 N ATOM 123 CA GLU A 63 59.955 3.399 6.889 1.00 0.00 C ATOM 124 C GLU A 63 61.283 2.791 6.452 1.00 0.00 C ATOM 125 O GLU A 63 62.338 3.146 6.982 1.00 0.00 O ATOM 126 CB GLU A 63 58.902 2.303 6.956 1.00 0.00 C ATOM 127 CG GLU A 63 58.175 2.370 8.293 1.00 0.00 C ATOM 128 CD GLU A 63 57.834 0.959 8.763 1.00 0.00 C ATOM 129 OE1 GLU A 63 58.650 0.372 9.454 1.00 0.00 O ATOM 130 OE2 GLU A 63 56.764 0.480 8.420 1.00 0.00 O ATOM 0 H GLU A 63 60.284 4.784 5.353 1.00 0.00 H new ATOM 0 HA GLU A 63 60.076 3.848 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.191 2.418 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.371 1.327 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.800 2.869 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.264 2.961 8.194 1.00 0.00 H new ATOM 137 N HIS A 64 61.229 1.874 5.490 1.00 0.00 N ATOM 138 CA HIS A 64 62.427 1.223 5.000 1.00 0.00 C ATOM 139 C HIS A 64 62.842 1.825 3.671 1.00 0.00 C ATOM 140 O HIS A 64 62.096 2.585 3.058 1.00 0.00 O ATOM 141 CB HIS A 64 62.175 -0.276 4.816 1.00 0.00 C ATOM 142 CG HIS A 64 60.940 -0.483 4.001 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.694 -0.546 4.587 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.734 -0.649 2.652 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.798 -0.743 3.614 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.374 -0.815 2.411 1.00 0.00 N ATOM 0 H HIS A 64 60.367 1.569 5.039 1.00 0.00 H new ATOM 0 HA HIS A 64 63.223 1.370 5.730 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.029 -0.740 4.323 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.066 -0.758 5.787 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.507 -0.650 1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.735 -0.833 3.781 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.916 -0.960 1.511 1.00 0.00 H new ATOM 154 N CYS A 65 64.039 1.473 3.241 1.00 0.00 N ATOM 155 CA CYS A 65 64.577 1.965 1.985 1.00 0.00 C ATOM 156 C CYS A 65 64.094 1.118 0.814 1.00 0.00 C ATOM 157 O CYS A 65 64.033 -0.093 0.908 1.00 0.00 O ATOM 158 CB CYS A 65 66.092 1.929 2.057 1.00 0.00 C ATOM 159 SG CYS A 65 66.784 2.221 0.416 1.00 0.00 S ATOM 0 H CYS A 65 64.662 0.843 3.747 1.00 0.00 H new ATOM 0 HA CYS A 65 64.231 2.986 1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.451 2.686 2.754 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.425 0.963 2.436 1.00 0.00 H new ATOM 164 N GLY A 66 63.741 1.771 -0.286 1.00 0.00 N ATOM 165 CA GLY A 66 63.249 1.064 -1.476 1.00 0.00 C ATOM 166 C GLY A 66 64.325 0.203 -2.152 1.00 0.00 C ATOM 167 O GLY A 66 64.021 -0.855 -2.701 1.00 0.00 O ATOM 0 H GLY A 66 63.784 2.785 -0.385 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.409 0.429 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.871 1.792 -2.194 1.00 0.00 H new ATOM 171 N VAL A 67 65.563 0.690 -2.154 1.00 0.00 N ATOM 172 CA VAL A 67 66.664 -0.012 -2.818 1.00 0.00 C ATOM 173 C VAL A 67 66.893 -1.415 -2.249 1.00 0.00 C ATOM 174 O VAL A 67 67.129 -2.365 -2.999 1.00 0.00 O ATOM 175 CB VAL A 67 67.952 0.795 -2.652 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.145 -0.009 -3.175 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.847 2.116 -3.419 1.00 0.00 C ATOM 0 H VAL A 67 65.831 1.566 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 67 66.393 -0.114 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 67 68.099 1.007 -1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 67 70.058 0.574 -3.053 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.231 -0.940 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.997 -0.234 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.769 2.683 -3.294 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.688 1.910 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 67 67.009 2.696 -3.032 1.00 0.00 H new ATOM 187 N CYS A 68 66.853 -1.536 -0.928 1.00 0.00 N ATOM 188 CA CYS A 68 67.088 -2.825 -0.273 1.00 0.00 C ATOM 189 C CYS A 68 65.802 -3.386 0.323 1.00 0.00 C ATOM 190 O CYS A 68 65.683 -4.590 0.554 1.00 0.00 O ATOM 191 CB CYS A 68 68.147 -2.664 0.822 1.00 0.00 C ATOM 192 SG CYS A 68 67.734 -1.244 1.866 1.00 0.00 S ATOM 0 H CYS A 68 66.662 -0.765 -0.289 1.00 0.00 H new ATOM 0 HA CYS A 68 67.445 -3.529 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.199 -3.569 1.427 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.130 -2.524 0.373 1.00 0.00 H new ATOM 197 N ARG A 69 64.834 -2.509 0.544 1.00 0.00 N ATOM 198 CA ARG A 69 63.544 -2.916 1.085 1.00 0.00 C ATOM 199 C ARG A 69 63.704 -3.434 2.505 1.00 0.00 C ATOM 200 O ARG A 69 62.991 -4.339 2.937 1.00 0.00 O ATOM 201 CB ARG A 69 62.926 -3.996 0.187 1.00 0.00 C ATOM 202 CG ARG A 69 63.222 -3.671 -1.287 1.00 0.00 C ATOM 203 CD ARG A 69 61.952 -3.769 -2.120 1.00 0.00 C ATOM 204 NE ARG A 69 61.740 -5.136 -2.586 1.00 0.00 N ATOM 205 CZ ARG A 69 62.416 -5.644 -3.618 1.00 0.00 C ATOM 206 NH1 ARG A 69 63.297 -4.923 -4.260 1.00 0.00 N ATOM 207 NH2 ARG A 69 62.195 -6.876 -3.989 1.00 0.00 N ATOM 0 H ARG A 69 64.917 -1.510 0.357 1.00 0.00 H new ATOM 0 HA ARG A 69 62.880 -2.052 1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.334 -4.974 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.849 -4.047 0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.640 -2.668 -1.367 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.972 -4.361 -1.674 1.00 0.00 H new ATOM 0 HD2 ARG A 69 61.097 -3.446 -1.526 1.00 0.00 H new ATOM 0 HD3 ARG A 69 62.020 -3.095 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 69 61.054 -5.721 -2.108 1.00 0.00 H new ATOM 0 HH11 ARG A 69 63.474 -3.960 -3.974 1.00 0.00 H new ATOM 0 HH12 ARG A 69 63.807 -5.323 -5.047 1.00 0.00 H new ATOM 0 HH21 ARG A 69 61.509 -7.443 -3.491 1.00 0.00 H new ATOM 0 HH22 ARG A 69 62.708 -7.271 -4.777 1.00 0.00 H new ATOM 221 N GLU A 70 64.640 -2.836 3.226 1.00 0.00 N ATOM 222 CA GLU A 70 64.895 -3.217 4.605 1.00 0.00 C ATOM 223 C GLU A 70 64.829 -2.000 5.502 1.00 0.00 C ATOM 224 O GLU A 70 65.191 -0.892 5.105 1.00 0.00 O ATOM 225 CB GLU A 70 66.263 -3.882 4.722 1.00 0.00 C ATOM 226 CG GLU A 70 66.287 -5.127 3.838 1.00 0.00 C ATOM 227 CD GLU A 70 65.238 -6.129 4.311 1.00 0.00 C ATOM 228 OE1 GLU A 70 64.953 -6.144 5.497 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.736 -6.868 3.479 1.00 0.00 O ATOM 0 H GLU A 70 65.235 -2.085 2.878 1.00 0.00 H new ATOM 0 HA GLU A 70 64.131 -3.928 4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.046 -3.188 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.463 -4.152 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.094 -4.850 2.802 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.276 -5.584 3.867 1.00 0.00 H new ATOM 236 N ARG A 71 64.347 -2.215 6.710 1.00 0.00 N ATOM 237 CA ARG A 71 64.207 -1.141 7.672 1.00 0.00 C ATOM 238 C ARG A 71 65.500 -0.347 7.777 1.00 0.00 C ATOM 239 O ARG A 71 66.590 -0.881 7.565 1.00 0.00 O ATOM 240 CB ARG A 71 63.843 -1.730 9.029 1.00 0.00 C ATOM 241 CG ARG A 71 62.908 -0.778 9.772 1.00 0.00 C ATOM 242 CD ARG A 71 63.137 -0.910 11.278 1.00 0.00 C ATOM 243 NE ARG A 71 62.916 -2.288 11.717 1.00 0.00 N ATOM 244 CZ ARG A 71 61.691 -2.779 11.914 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.630 -2.039 11.710 1.00 0.00 N ATOM 246 NH2 ARG A 71 61.547 -4.014 12.317 1.00 0.00 N ATOM 0 H ARG A 71 64.045 -3.128 7.049 1.00 0.00 H new ATOM 0 HA ARG A 71 63.418 -0.465 7.342 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.361 -2.699 8.898 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.746 -1.900 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.090 0.249 9.454 1.00 0.00 H new ATOM 0 HG3 ARG A 71 61.870 -1.008 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 64.154 -0.603 11.524 1.00 0.00 H new ATOM 0 HD3 ARG A 71 62.464 -0.240 11.813 1.00 0.00 H new ATOM 0 HE ARG A 71 63.723 -2.892 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 71 60.734 -1.074 11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 71 59.700 -2.428 11.865 1.00 0.00 H new ATOM 0 HH21 ARG A 71 62.368 -4.597 12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 71 60.613 -4.395 12.469 1.00 0.00 H new ATOM 260 N LEU A 72 65.363 0.934 8.084 1.00 0.00 N ATOM 261 CA LEU A 72 66.520 1.802 8.196 1.00 0.00 C ATOM 262 C LEU A 72 67.273 1.535 9.496 1.00 0.00 C ATOM 263 O LEU A 72 66.753 1.757 10.588 1.00 0.00 O ATOM 264 CB LEU A 72 66.052 3.253 8.143 1.00 0.00 C ATOM 265 CG LEU A 72 65.380 3.518 6.790 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.732 4.904 6.809 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.428 3.453 5.666 1.00 0.00 C ATOM 0 H LEU A 72 64.468 1.391 8.259 1.00 0.00 H new ATOM 0 HA LEU A 72 67.202 1.603 7.369 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.352 3.452 8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.899 3.926 8.280 1.00 0.00 H new ATOM 0 HG LEU A 72 64.617 2.761 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.254 5.095 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.985 4.945 7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.496 5.660 6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.945 3.642 4.707 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.196 4.207 5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.887 2.464 5.653 1.00 0.00 H new ATOM 279 N ARG A 73 68.507 1.058 9.359 1.00 0.00 N ATOM 280 CA ARG A 73 69.348 0.762 10.513 1.00 0.00 C ATOM 281 C ARG A 73 69.991 2.034 11.044 1.00 0.00 C ATOM 282 O ARG A 73 70.045 3.046 10.347 1.00 0.00 O ATOM 283 CB ARG A 73 70.441 -0.232 10.123 1.00 0.00 C ATOM 284 CG ARG A 73 70.033 -1.639 10.536 1.00 0.00 C ATOM 285 CD ARG A 73 71.012 -2.646 9.941 1.00 0.00 C ATOM 286 NE ARG A 73 70.657 -4.000 10.362 1.00 0.00 N ATOM 287 CZ ARG A 73 71.223 -5.077 9.818 1.00 0.00 C ATOM 288 NH1 ARG A 73 72.122 -4.958 8.875 1.00 0.00 N ATOM 289 NH2 ARG A 73 70.872 -6.263 10.231 1.00 0.00 N ATOM 0 H ARG A 73 68.947 0.868 8.458 1.00 0.00 H new ATOM 0 HA ARG A 73 68.721 0.328 11.292 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.612 -0.195 9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 73 71.380 0.040 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.024 -1.723 11.623 1.00 0.00 H new ATOM 0 HG3 ARG A 73 69.021 -1.852 10.191 1.00 0.00 H new ATOM 0 HD2 ARG A 73 70.998 -2.580 8.853 1.00 0.00 H new ATOM 0 HD3 ARG A 73 72.027 -2.411 10.262 1.00 0.00 H new ATOM 0 HE ARG A 73 69.956 -4.124 11.093 1.00 0.00 H new ATOM 0 HH11 ARG A 73 72.398 -4.032 8.547 1.00 0.00 H new ATOM 0 HH12 ARG A 73 72.547 -5.791 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 73 70.170 -6.361 10.964 1.00 0.00 H new ATOM 0 HH22 ARG A 73 71.300 -7.093 9.821 1.00 0.00 H new ATOM 303 N PRO A 74 70.472 2.007 12.258 1.00 0.00 N ATOM 304 CA PRO A 74 71.115 3.201 12.874 1.00 0.00 C ATOM 305 C PRO A 74 72.371 3.611 12.121 1.00 0.00 C ATOM 306 O PRO A 74 72.638 4.799 11.932 1.00 0.00 O ATOM 307 CB PRO A 74 71.440 2.755 14.301 1.00 0.00 C ATOM 308 CG PRO A 74 71.442 1.265 14.263 1.00 0.00 C ATOM 309 CD PRO A 74 70.469 0.855 13.161 1.00 0.00 C ATOM 0 HA PRO A 74 70.469 4.078 12.848 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.408 3.140 14.622 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.698 3.128 15.007 1.00 0.00 H new ATOM 0 HG2 PRO A 74 72.442 0.884 14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 74 71.135 0.853 15.224 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.796 -0.053 12.654 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.473 0.658 13.558 1.00 0.00 H new ATOM 317 N GLU A 75 73.120 2.618 11.666 1.00 0.00 N ATOM 318 CA GLU A 75 74.334 2.877 10.900 1.00 0.00 C ATOM 319 C GLU A 75 74.029 2.939 9.402 1.00 0.00 C ATOM 320 O GLU A 75 74.931 3.124 8.585 1.00 0.00 O ATOM 321 CB GLU A 75 75.381 1.799 11.162 1.00 0.00 C ATOM 322 CG GLU A 75 74.728 0.425 11.075 1.00 0.00 C ATOM 323 CD GLU A 75 75.791 -0.651 10.889 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.793 -0.591 11.584 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.593 -1.515 10.052 1.00 0.00 O ATOM 0 H GLU A 75 72.912 1.630 11.812 1.00 0.00 H new ATOM 0 HA GLU A 75 74.728 3.841 11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 75 76.188 1.877 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.826 1.940 12.147 1.00 0.00 H new ATOM 0 HG2 GLU A 75 74.155 0.228 11.981 1.00 0.00 H new ATOM 0 HG3 GLU A 75 74.025 0.400 10.242 1.00 0.00 H new ATOM 332 N ARG A 76 72.754 2.767 9.047 1.00 0.00 N ATOM 333 CA ARG A 76 72.356 2.783 7.646 1.00 0.00 C ATOM 334 C ARG A 76 72.539 4.158 7.031 1.00 0.00 C ATOM 335 O ARG A 76 72.664 4.295 5.813 1.00 0.00 O ATOM 336 CB ARG A 76 70.883 2.440 7.522 1.00 0.00 C ATOM 337 CG ARG A 76 70.618 1.908 6.109 1.00 0.00 C ATOM 338 CD ARG A 76 69.810 0.621 6.193 1.00 0.00 C ATOM 339 NE ARG A 76 70.087 -0.240 5.046 1.00 0.00 N ATOM 340 CZ ARG A 76 71.232 -0.920 4.930 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.157 -0.853 5.855 1.00 0.00 N ATOM 342 NH2 ARG A 76 71.433 -1.659 3.872 1.00 0.00 N ATOM 0 H ARG A 76 71.990 2.617 9.706 1.00 0.00 H new ATOM 0 HA ARG A 76 72.983 2.056 7.130 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.606 1.692 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.272 3.322 7.714 1.00 0.00 H new ATOM 0 HG2 ARG A 76 70.077 2.652 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 76 71.562 1.724 5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 76 70.052 0.094 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.746 0.856 6.229 1.00 0.00 H new ATOM 0 HE ARG A 76 69.385 -0.325 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.010 -0.274 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 76 73.024 -1.379 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 76 70.720 -1.713 3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 76 72.303 -2.182 3.773 1.00 0.00 H new ATOM 356 N GLU A 77 72.523 5.177 7.875 1.00 0.00 N ATOM 357 CA GLU A 77 72.653 6.537 7.399 1.00 0.00 C ATOM 358 C GLU A 77 71.580 6.836 6.364 1.00 0.00 C ATOM 359 O GLU A 77 71.863 7.000 5.183 1.00 0.00 O ATOM 360 CB GLU A 77 74.028 6.751 6.787 1.00 0.00 C ATOM 361 CG GLU A 77 74.290 8.247 6.655 1.00 0.00 C ATOM 362 CD GLU A 77 75.675 8.475 6.070 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.374 7.497 5.863 1.00 0.00 O ATOM 364 OE2 GLU A 77 76.020 9.622 5.837 1.00 0.00 O ATOM 0 H GLU A 77 72.422 5.086 8.886 1.00 0.00 H new ATOM 0 HA GLU A 77 72.531 7.213 8.245 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.793 6.289 7.411 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.083 6.272 5.809 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.535 8.703 6.015 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.213 8.727 7.631 1.00 0.00 H new ATOM 371 N PRO A 78 70.359 6.901 6.804 1.00 0.00 N ATOM 372 CA PRO A 78 69.184 7.177 5.929 1.00 0.00 C ATOM 373 C PRO A 78 69.180 8.609 5.417 1.00 0.00 C ATOM 374 O PRO A 78 69.708 9.514 6.064 1.00 0.00 O ATOM 375 CB PRO A 78 67.989 6.919 6.846 1.00 0.00 C ATOM 376 CG PRO A 78 68.509 7.137 8.227 1.00 0.00 C ATOM 377 CD PRO A 78 69.969 6.720 8.205 1.00 0.00 C ATOM 0 HA PRO A 78 69.180 6.557 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.166 7.598 6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.608 5.905 6.723 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.408 8.182 8.520 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.947 6.547 8.951 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.572 7.337 8.872 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.095 5.686 8.526 1.00 0.00 H new ATOM 385 N ARG A 79 68.587 8.801 4.250 1.00 0.00 N ATOM 386 CA ARG A 79 68.523 10.122 3.643 1.00 0.00 C ATOM 387 C ARG A 79 67.209 10.311 2.894 1.00 0.00 C ATOM 388 O ARG A 79 66.477 9.353 2.661 1.00 0.00 O ATOM 389 CB ARG A 79 69.691 10.292 2.680 1.00 0.00 C ATOM 390 CG ARG A 79 70.667 11.337 3.225 1.00 0.00 C ATOM 391 CD ARG A 79 72.092 10.917 2.874 1.00 0.00 C ATOM 392 NE ARG A 79 73.049 11.889 3.391 1.00 0.00 N ATOM 393 CZ ARG A 79 73.399 11.909 4.678 1.00 0.00 C ATOM 394 NH1 ARG A 79 72.891 11.047 5.524 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.257 12.797 5.098 1.00 0.00 N ATOM 0 H ARG A 79 68.144 8.062 3.705 1.00 0.00 H new ATOM 0 HA ARG A 79 68.580 10.872 4.432 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.203 9.339 2.544 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.324 10.600 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.447 12.316 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.557 11.428 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.302 9.933 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.197 10.833 1.792 1.00 0.00 H new ATOM 0 HE ARG A 79 73.461 12.570 2.753 1.00 0.00 H new ATOM 0 HH11 ARG A 79 72.220 10.350 5.201 1.00 0.00 H new ATOM 0 HH12 ARG A 79 73.167 11.073 6.506 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.656 13.470 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 79 74.529 12.818 6.081 1.00 0.00 H new ATOM 409 N LEU A 80 66.917 11.557 2.527 1.00 0.00 N ATOM 410 CA LEU A 80 65.682 11.857 1.811 1.00 0.00 C ATOM 411 C LEU A 80 65.981 12.442 0.430 1.00 0.00 C ATOM 412 O LEU A 80 66.706 13.428 0.305 1.00 0.00 O ATOM 413 CB LEU A 80 64.847 12.859 2.612 1.00 0.00 C ATOM 414 CG LEU A 80 63.520 13.113 1.899 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.672 11.849 1.955 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.779 14.263 2.587 1.00 0.00 C ATOM 0 H LEU A 80 67.511 12.365 2.711 1.00 0.00 H new ATOM 0 HA LEU A 80 65.127 10.927 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.664 12.474 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.395 13.795 2.725 1.00 0.00 H new ATOM 0 HG LEU A 80 63.708 13.381 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.723 12.024 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.202 11.033 1.463 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.483 11.583 2.995 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.833 14.443 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.587 14.001 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.390 15.165 2.547 1.00 0.00 H new ATOM 428 N LEU A 81 65.405 11.831 -0.598 1.00 0.00 N ATOM 429 CA LEU A 81 65.598 12.298 -1.967 1.00 0.00 C ATOM 430 C LEU A 81 64.589 13.385 -2.329 1.00 0.00 C ATOM 431 O LEU A 81 63.584 13.571 -1.649 1.00 0.00 O ATOM 432 CB LEU A 81 65.447 11.128 -2.934 1.00 0.00 C ATOM 433 CG LEU A 81 66.823 10.694 -3.434 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.690 10.272 -2.247 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.648 9.515 -4.394 1.00 0.00 C ATOM 0 H LEU A 81 64.802 11.013 -0.511 1.00 0.00 H new ATOM 0 HA LEU A 81 66.600 12.719 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.950 10.295 -2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.818 11.418 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 81 67.310 11.521 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.672 9.962 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.802 11.112 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.215 9.440 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.624 9.195 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.167 8.688 -3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.028 9.821 -5.237 1.00 0.00 H new ATOM 447 N PRO A 82 64.842 14.097 -3.397 1.00 0.00 N ATOM 448 CA PRO A 82 63.943 15.182 -3.878 1.00 0.00 C ATOM 449 C PRO A 82 62.666 14.630 -4.516 1.00 0.00 C ATOM 450 O PRO A 82 61.762 15.389 -4.864 1.00 0.00 O ATOM 451 CB PRO A 82 64.801 15.935 -4.895 1.00 0.00 C ATOM 452 CG PRO A 82 65.773 14.931 -5.404 1.00 0.00 C ATOM 453 CD PRO A 82 66.016 13.940 -4.273 1.00 0.00 C ATOM 0 HA PRO A 82 63.590 15.819 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.191 16.338 -5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.312 16.778 -4.431 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.379 14.423 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.704 15.412 -5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.099 12.920 -4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.942 14.161 -3.742 1.00 0.00 H new ATOM 461 N CYS A 83 62.598 13.307 -4.662 1.00 0.00 N ATOM 462 CA CYS A 83 61.430 12.665 -5.242 1.00 0.00 C ATOM 463 C CYS A 83 60.471 12.222 -4.146 1.00 0.00 C ATOM 464 O CYS A 83 59.433 11.619 -4.431 1.00 0.00 O ATOM 465 CB CYS A 83 61.860 11.461 -6.088 1.00 0.00 C ATOM 466 SG CYS A 83 62.784 10.297 -5.058 1.00 0.00 S ATOM 0 H CYS A 83 63.340 12.664 -4.385 1.00 0.00 H new ATOM 0 HA CYS A 83 60.917 13.382 -5.883 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.984 10.971 -6.513 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.477 11.792 -6.924 1.00 0.00 H new ATOM 471 N LEU A 84 60.831 12.533 -2.894 1.00 0.00 N ATOM 472 CA LEU A 84 60.011 12.189 -1.741 1.00 0.00 C ATOM 473 C LEU A 84 60.136 10.717 -1.398 1.00 0.00 C ATOM 474 O LEU A 84 59.167 10.060 -1.024 1.00 0.00 O ATOM 475 CB LEU A 84 58.544 12.554 -1.997 1.00 0.00 C ATOM 476 CG LEU A 84 57.908 13.144 -0.737 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.461 13.537 -1.044 1.00 0.00 C ATOM 478 CD2 LEU A 84 57.930 12.095 0.377 1.00 0.00 C ATOM 0 H LEU A 84 61.693 13.026 -2.660 1.00 0.00 H new ATOM 0 HA LEU A 84 60.373 12.766 -0.890 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.480 13.273 -2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 84 57.992 11.667 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 84 58.465 14.024 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.001 13.958 -0.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.447 14.278 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 84 55.903 12.655 -1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.478 12.511 1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.367 11.217 0.061 1.00 0.00 H new ATOM 0 HD23 LEU A 84 58.961 11.809 0.587 1.00 0.00 H new ATOM 490 N HIS A 85 61.341 10.207 -1.515 1.00 0.00 N ATOM 491 CA HIS A 85 61.592 8.822 -1.189 1.00 0.00 C ATOM 492 C HIS A 85 62.849 8.708 -0.350 1.00 0.00 C ATOM 493 O HIS A 85 63.932 9.102 -0.779 1.00 0.00 O ATOM 494 CB HIS A 85 61.736 8.009 -2.465 1.00 0.00 C ATOM 495 CG HIS A 85 60.466 8.122 -3.265 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.469 8.445 -4.609 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.145 7.971 -2.921 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.192 8.481 -5.025 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.343 8.199 -4.036 1.00 0.00 N ATOM 0 H HIS A 85 62.159 10.728 -1.832 1.00 0.00 H new ATOM 0 HA HIS A 85 60.751 8.432 -0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.582 8.372 -3.049 1.00 0.00 H new ATOM 0 HB3 HIS A 85 61.938 6.965 -2.225 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.784 7.715 -1.936 1.00 0.00 H new ATOM 0 HE1 HIS A 85 58.890 8.710 -6.036 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.325 8.159 -4.086 1.00 0.00 H new ATOM 507 N SER A 86 62.700 8.172 0.841 1.00 0.00 N ATOM 508 CA SER A 86 63.845 8.015 1.729 1.00 0.00 C ATOM 509 C SER A 86 64.558 6.704 1.441 1.00 0.00 C ATOM 510 O SER A 86 63.927 5.691 1.141 1.00 0.00 O ATOM 511 CB SER A 86 63.405 8.023 3.187 1.00 0.00 C ATOM 512 OG SER A 86 62.698 9.224 3.463 1.00 0.00 O ATOM 0 H SER A 86 61.813 7.840 1.219 1.00 0.00 H new ATOM 0 HA SER A 86 64.521 8.852 1.552 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.771 7.160 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.274 7.942 3.840 1.00 0.00 H new ATOM 0 HG SER A 86 62.414 9.228 4.401 1.00 0.00 H new ATOM 518 N ALA A 87 65.875 6.736 1.534 1.00 0.00 N ATOM 519 CA ALA A 87 66.675 5.542 1.278 1.00 0.00 C ATOM 520 C ALA A 87 68.008 5.608 2.026 1.00 0.00 C ATOM 521 O ALA A 87 68.390 6.657 2.541 1.00 0.00 O ATOM 522 CB ALA A 87 66.921 5.398 -0.226 1.00 0.00 C ATOM 0 H ALA A 87 66.414 7.566 1.782 1.00 0.00 H new ATOM 0 HA ALA A 87 66.126 4.672 1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.518 4.506 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.966 5.311 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.454 6.275 -0.593 1.00 0.00 H new ATOM 528 N CYS A 88 68.709 4.475 2.083 1.00 0.00 N ATOM 529 CA CYS A 88 70.000 4.409 2.770 1.00 0.00 C ATOM 530 C CYS A 88 71.050 5.162 1.967 1.00 0.00 C ATOM 531 O CYS A 88 71.122 5.011 0.759 1.00 0.00 O ATOM 532 CB CYS A 88 70.452 2.952 2.914 1.00 0.00 C ATOM 533 SG CYS A 88 69.030 1.885 3.234 1.00 0.00 S ATOM 0 H CYS A 88 68.407 3.595 1.664 1.00 0.00 H new ATOM 0 HA CYS A 88 69.887 4.858 3.757 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.960 2.630 2.005 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.171 2.866 3.729 1.00 0.00 H new ATOM 538 N SER A 89 71.874 5.957 2.643 1.00 0.00 N ATOM 539 CA SER A 89 72.901 6.717 1.959 1.00 0.00 C ATOM 540 C SER A 89 73.742 5.794 1.095 1.00 0.00 C ATOM 541 O SER A 89 74.056 6.121 -0.050 1.00 0.00 O ATOM 542 CB SER A 89 73.793 7.413 2.985 1.00 0.00 C ATOM 543 OG SER A 89 74.806 8.141 2.308 1.00 0.00 O ATOM 0 H SER A 89 71.847 6.088 3.654 1.00 0.00 H new ATOM 0 HA SER A 89 72.427 7.465 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.199 8.085 3.605 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.242 6.677 3.652 1.00 0.00 H new ATOM 0 HG SER A 89 75.380 8.590 2.963 1.00 0.00 H new ATOM 549 N ALA A 90 74.094 4.636 1.634 1.00 0.00 N ATOM 550 CA ALA A 90 74.876 3.676 0.871 1.00 0.00 C ATOM 551 C ALA A 90 74.093 3.249 -0.370 1.00 0.00 C ATOM 552 O ALA A 90 74.658 3.111 -1.449 1.00 0.00 O ATOM 553 CB ALA A 90 75.200 2.458 1.731 1.00 0.00 C ATOM 0 H ALA A 90 73.855 4.342 2.581 1.00 0.00 H new ATOM 0 HA ALA A 90 75.812 4.142 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.786 1.747 1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.773 2.771 2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.273 1.985 2.056 1.00 0.00 H new ATOM 559 N CYS A 91 72.780 3.061 -0.203 1.00 0.00 N ATOM 560 CA CYS A 91 71.908 2.670 -1.308 1.00 0.00 C ATOM 561 C CYS A 91 71.782 3.811 -2.321 1.00 0.00 C ATOM 562 O CYS A 91 71.644 3.593 -3.530 1.00 0.00 O ATOM 563 CB CYS A 91 70.535 2.284 -0.765 1.00 0.00 C ATOM 564 SG CYS A 91 70.686 0.724 0.137 1.00 0.00 S ATOM 0 H CYS A 91 72.300 3.174 0.690 1.00 0.00 H new ATOM 0 HA CYS A 91 72.344 1.810 -1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.155 3.066 -0.107 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.821 2.181 -1.582 1.00 0.00 H new ATOM 569 N LEU A 92 71.816 5.031 -1.812 1.00 0.00 N ATOM 570 CA LEU A 92 71.700 6.206 -2.653 1.00 0.00 C ATOM 571 C LEU A 92 72.879 6.311 -3.620 1.00 0.00 C ATOM 572 O LEU A 92 72.710 6.745 -4.760 1.00 0.00 O ATOM 573 CB LEU A 92 71.610 7.469 -1.785 1.00 0.00 C ATOM 574 CG LEU A 92 70.299 7.490 -0.987 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.230 8.782 -0.177 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.091 7.400 -1.922 1.00 0.00 C ATOM 0 H LEU A 92 71.923 5.232 -0.818 1.00 0.00 H new ATOM 0 HA LEU A 92 70.788 6.113 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.458 7.507 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.671 8.355 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 92 70.277 6.629 -0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.301 8.805 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 92 71.077 8.828 0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.262 9.637 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.174 7.417 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.098 8.247 -2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.140 6.472 -2.491 1.00 0.00 H new ATOM 588 N GLY A 93 74.071 5.924 -3.169 1.00 0.00 N ATOM 589 CA GLY A 93 75.254 5.995 -4.031 1.00 0.00 C ATOM 590 C GLY A 93 74.971 5.344 -5.385 1.00 0.00 C ATOM 591 O GLY A 93 74.941 6.024 -6.411 1.00 0.00 O ATOM 0 H GLY A 93 74.244 5.564 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.544 7.036 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.093 5.494 -3.548 1.00 0.00 H new ATOM 595 N PRO A 94 74.737 4.057 -5.402 1.00 0.00 N ATOM 596 CA PRO A 94 74.414 3.304 -6.653 1.00 0.00 C ATOM 597 C PRO A 94 73.205 3.900 -7.370 1.00 0.00 C ATOM 598 O PRO A 94 73.097 3.827 -8.594 1.00 0.00 O ATOM 599 CB PRO A 94 74.108 1.887 -6.156 1.00 0.00 C ATOM 600 CG PRO A 94 74.829 1.777 -4.858 1.00 0.00 C ATOM 601 CD PRO A 94 74.775 3.169 -4.234 1.00 0.00 C ATOM 0 HA PRO A 94 75.227 3.336 -7.378 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.036 1.735 -6.028 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.454 1.135 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 94 74.357 1.039 -4.210 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.860 1.456 -5.009 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.895 3.294 -3.604 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.646 3.364 -3.608 1.00 0.00 H new ATOM 609 N ALA A 95 72.299 4.493 -6.596 1.00 0.00 N ATOM 610 CA ALA A 95 71.099 5.099 -7.169 1.00 0.00 C ATOM 611 C ALA A 95 71.478 6.184 -8.180 1.00 0.00 C ATOM 612 O ALA A 95 70.830 6.335 -9.221 1.00 0.00 O ATOM 613 CB ALA A 95 70.241 5.710 -6.057 1.00 0.00 C ATOM 0 H ALA A 95 72.371 4.567 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 95 70.530 4.323 -7.681 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.348 6.160 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 95 69.949 4.931 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.815 6.475 -5.534 1.00 0.00 H new ATOM 619 N ALA A 96 72.528 6.938 -7.871 1.00 0.00 N ATOM 620 CA ALA A 96 72.981 7.997 -8.767 1.00 0.00 C ATOM 621 C ALA A 96 73.953 7.434 -9.816 1.00 0.00 C ATOM 622 O ALA A 96 74.970 6.844 -9.454 1.00 0.00 O ATOM 623 CB ALA A 96 73.677 9.099 -7.960 1.00 0.00 C ATOM 0 H ALA A 96 73.076 6.838 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 96 72.114 8.414 -9.279 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.013 9.887 -8.634 1.00 0.00 H new ATOM 0 HB2 ALA A 96 72.978 9.516 -7.235 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.536 8.679 -7.436 1.00 0.00 H new ATOM 629 N PRO A 97 73.680 7.592 -11.100 1.00 0.00 N ATOM 630 CA PRO A 97 74.586 7.073 -12.174 1.00 0.00 C ATOM 631 C PRO A 97 76.020 7.564 -12.005 1.00 0.00 C ATOM 632 O PRO A 97 76.251 8.697 -11.590 1.00 0.00 O ATOM 633 CB PRO A 97 73.986 7.647 -13.460 1.00 0.00 C ATOM 634 CG PRO A 97 72.548 7.869 -13.152 1.00 0.00 C ATOM 635 CD PRO A 97 72.495 8.263 -11.680 1.00 0.00 C ATOM 0 HA PRO A 97 74.645 5.985 -12.161 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.477 8.578 -13.742 1.00 0.00 H new ATOM 0 HB3 PRO A 97 74.108 6.956 -14.294 1.00 0.00 H new ATOM 0 HG2 PRO A 97 72.130 8.654 -13.782 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.965 6.967 -13.337 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.543 9.344 -11.552 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.572 7.927 -11.207 1.00 0.00 H new ATOM 643 N ALA A 98 76.980 6.701 -12.329 1.00 0.00 N ATOM 644 CA ALA A 98 78.392 7.057 -12.216 1.00 0.00 C ATOM 645 C ALA A 98 79.012 7.225 -13.601 1.00 0.00 C ATOM 646 O ALA A 98 80.134 6.782 -13.848 1.00 0.00 O ATOM 647 CB ALA A 98 79.147 5.967 -11.454 1.00 0.00 C ATOM 0 H ALA A 98 76.807 5.755 -12.670 1.00 0.00 H new ATOM 0 HA ALA A 98 78.467 8.000 -11.674 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.199 6.241 -11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.723 5.861 -10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 98 79.058 5.021 -11.988 1.00 0.00 H new ATOM 653 N ALA A 99 78.270 7.860 -14.502 1.00 0.00 N ATOM 654 CA ALA A 99 78.750 8.071 -15.864 1.00 0.00 C ATOM 655 C ALA A 99 78.917 6.739 -16.595 1.00 0.00 C ATOM 656 O ALA A 99 79.502 6.687 -17.677 1.00 0.00 O ATOM 657 CB ALA A 99 80.090 8.808 -15.839 1.00 0.00 C ATOM 0 H ALA A 99 77.340 8.236 -14.316 1.00 0.00 H new ATOM 0 HA ALA A 99 78.011 8.672 -16.394 1.00 0.00 H new ATOM 0 HB1 ALA A 99 80.440 8.961 -16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 99 79.965 9.774 -15.350 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.821 8.215 -15.290 1.00 0.00 H new ATOM 663 N ALA A 100 78.395 5.663 -16.003 1.00 0.00 N ATOM 664 CA ALA A 100 78.492 4.345 -16.615 1.00 0.00 C ATOM 665 C ALA A 100 77.762 4.319 -17.953 1.00 0.00 C ATOM 666 O ALA A 100 78.228 3.711 -18.916 1.00 0.00 O ATOM 667 CB ALA A 100 77.885 3.294 -15.682 1.00 0.00 C ATOM 0 H ALA A 100 77.906 5.682 -15.108 1.00 0.00 H new ATOM 0 HA ALA A 100 79.545 4.120 -16.785 1.00 0.00 H new ATOM 0 HB1 ALA A 100 77.960 2.310 -16.145 1.00 0.00 H new ATOM 0 HB2 ALA A 100 78.425 3.292 -14.735 1.00 0.00 H new ATOM 0 HB3 ALA A 100 76.837 3.531 -15.501 1.00 0.00 H new ATOM 673 N ASN A 101 76.610 4.980 -18.002 1.00 0.00 N ATOM 674 CA ASN A 101 75.814 5.025 -19.223 1.00 0.00 C ATOM 675 C ASN A 101 74.902 6.247 -19.227 1.00 0.00 C ATOM 676 O ASN A 101 74.917 7.050 -18.295 1.00 0.00 O ATOM 677 CB ASN A 101 74.972 3.752 -19.347 1.00 0.00 C ATOM 678 CG ASN A 101 74.089 3.582 -18.113 1.00 0.00 C ATOM 679 OD1 ASN A 101 73.453 4.536 -17.665 1.00 0.00 O ATOM 680 ND2 ASN A 101 74.010 2.415 -17.536 1.00 0.00 N ATOM 0 H ASN A 101 76.208 5.489 -17.215 1.00 0.00 H new ATOM 0 HA ASN A 101 76.493 5.094 -20.073 1.00 0.00 H new ATOM 0 HB2 ASN A 101 74.352 3.803 -20.242 1.00 0.00 H new ATOM 0 HB3 ASN A 101 75.624 2.886 -19.459 1.00 0.00 H new ATOM 0 HD21 ASN A 101 73.421 2.292 -16.713 1.00 0.00 H new ATOM 0 HD22 ASN A 101 74.537 1.625 -17.908 1.00 0.00 H new ATOM 687 N SER A 102 74.109 6.382 -20.286 1.00 0.00 N ATOM 688 CA SER A 102 73.194 7.510 -20.407 1.00 0.00 C ATOM 689 C SER A 102 71.747 7.040 -20.292 1.00 0.00 C ATOM 690 O SER A 102 71.366 6.026 -20.878 1.00 0.00 O ATOM 691 CB SER A 102 73.398 8.207 -21.752 1.00 0.00 C ATOM 692 OG SER A 102 72.433 9.241 -21.899 1.00 0.00 O ATOM 0 H SER A 102 74.082 5.728 -21.068 1.00 0.00 H new ATOM 0 HA SER A 102 73.404 8.211 -19.599 1.00 0.00 H new ATOM 0 HB2 SER A 102 74.404 8.622 -21.810 1.00 0.00 H new ATOM 0 HB3 SER A 102 73.303 7.487 -22.565 1.00 0.00 H new ATOM 0 HG SER A 102 72.563 9.690 -22.760 1.00 0.00 H new ATOM 698 N SER A 103 70.947 7.778 -19.529 1.00 0.00 N ATOM 699 CA SER A 103 69.545 7.422 -19.342 1.00 0.00 C ATOM 700 C SER A 103 68.808 7.432 -20.676 1.00 0.00 C ATOM 701 O SER A 103 67.991 6.554 -20.953 1.00 0.00 O ATOM 702 CB SER A 103 68.882 8.409 -18.381 1.00 0.00 C ATOM 703 OG SER A 103 69.465 8.274 -17.093 1.00 0.00 O ATOM 0 H SER A 103 71.242 8.619 -19.034 1.00 0.00 H new ATOM 0 HA SER A 103 69.496 6.417 -18.922 1.00 0.00 H new ATOM 0 HB2 SER A 103 69.008 9.429 -18.745 1.00 0.00 H new ATOM 0 HB3 SER A 103 67.810 8.219 -18.329 1.00 0.00 H new ATOM 0 HG SER A 103 70.318 8.756 -17.068 1.00 0.00 H new ATOM 709 N GLY A 104 69.107 8.429 -21.505 1.00 0.00 N ATOM 710 CA GLY A 104 68.470 8.538 -22.811 1.00 0.00 C ATOM 711 C GLY A 104 68.949 9.785 -23.546 1.00 0.00 C ATOM 712 O GLY A 104 69.654 10.618 -22.979 1.00 0.00 O ATOM 0 H GLY A 104 69.781 9.166 -21.297 1.00 0.00 H new ATOM 0 HA2 GLY A 104 68.694 7.652 -23.405 1.00 0.00 H new ATOM 0 HA3 GLY A 104 67.387 8.575 -22.690 1.00 0.00 H new ATOM 716 N ASP A 105 68.559 9.907 -24.812 1.00 0.00 N ATOM 717 CA ASP A 105 68.954 11.060 -25.612 1.00 0.00 C ATOM 718 C ASP A 105 68.300 12.330 -25.075 1.00 0.00 C ATOM 719 O ASP A 105 67.129 12.321 -24.694 1.00 0.00 O ATOM 720 CB ASP A 105 68.545 10.851 -27.070 1.00 0.00 C ATOM 721 CG ASP A 105 69.430 9.784 -27.708 1.00 0.00 C ATOM 722 OD1 ASP A 105 70.437 9.442 -27.112 1.00 0.00 O ATOM 723 OD2 ASP A 105 69.086 9.326 -28.786 1.00 0.00 O ATOM 0 H ASP A 105 67.976 9.228 -25.301 1.00 0.00 H new ATOM 0 HA ASP A 105 70.037 11.167 -25.552 1.00 0.00 H new ATOM 0 HB2 ASP A 105 67.499 10.549 -27.124 1.00 0.00 H new ATOM 0 HB3 ASP A 105 68.635 11.788 -27.620 1.00 0.00 H new ATOM 728 N GLY A 106 69.059 13.420 -25.054 1.00 0.00 N ATOM 729 CA GLY A 106 68.535 14.691 -24.569 1.00 0.00 C ATOM 730 C GLY A 106 68.354 14.658 -23.054 1.00 0.00 C ATOM 731 O GLY A 106 68.791 13.721 -22.388 1.00 0.00 O ATOM 0 H GLY A 106 70.030 13.450 -25.364 1.00 0.00 H new ATOM 0 HA2 GLY A 106 69.215 15.498 -24.841 1.00 0.00 H new ATOM 0 HA3 GLY A 106 67.580 14.903 -25.050 1.00 0.00 H new ATOM 735 N GLY A 107 67.700 15.683 -22.519 1.00 0.00 N ATOM 736 CA GLY A 107 67.461 15.754 -21.083 1.00 0.00 C ATOM 737 C GLY A 107 68.771 15.676 -20.309 1.00 0.00 C ATOM 738 O GLY A 107 69.731 16.382 -20.621 1.00 0.00 O ATOM 0 H GLY A 107 67.329 16.469 -23.052 1.00 0.00 H new ATOM 0 HA2 GLY A 107 66.946 16.684 -20.842 1.00 0.00 H new ATOM 0 HA3 GLY A 107 66.805 14.938 -20.779 1.00 0.00 H new ATOM 742 N ALA A 108 68.803 14.814 -19.301 1.00 0.00 N ATOM 743 CA ALA A 108 70.003 14.649 -18.491 1.00 0.00 C ATOM 744 C ALA A 108 70.440 13.188 -18.471 1.00 0.00 C ATOM 745 O ALA A 108 69.666 12.302 -18.106 1.00 0.00 O ATOM 746 CB ALA A 108 69.733 15.124 -17.062 1.00 0.00 C ATOM 0 H ALA A 108 68.019 14.223 -19.026 1.00 0.00 H new ATOM 0 HA ALA A 108 70.802 15.247 -18.929 1.00 0.00 H new ATOM 0 HB1 ALA A 108 70.633 14.998 -16.461 1.00 0.00 H new ATOM 0 HB2 ALA A 108 69.450 16.176 -17.076 1.00 0.00 H new ATOM 0 HB3 ALA A 108 68.923 14.536 -16.630 1.00 0.00 H new ATOM 752 N ALA A 109 71.686 12.942 -18.860 1.00 0.00 N ATOM 753 CA ALA A 109 72.215 11.585 -18.877 1.00 0.00 C ATOM 754 C ALA A 109 72.223 10.999 -17.468 1.00 0.00 C ATOM 755 O ALA A 109 71.924 9.821 -17.272 1.00 0.00 O ATOM 756 CB ALA A 109 73.635 11.585 -19.447 1.00 0.00 C ATOM 0 H ALA A 109 72.344 13.659 -19.166 1.00 0.00 H new ATOM 0 HA ALA A 109 71.575 10.970 -19.509 1.00 0.00 H new ATOM 0 HB1 ALA A 109 74.023 10.567 -19.456 1.00 0.00 H new ATOM 0 HB2 ALA A 109 73.619 11.976 -20.464 1.00 0.00 H new ATOM 0 HB3 ALA A 109 74.276 12.212 -18.827 1.00 0.00 H new ATOM 762 N GLY A 110 72.570 11.835 -16.491 1.00 0.00 N ATOM 763 CA GLY A 110 72.621 11.397 -15.099 1.00 0.00 C ATOM 764 C GLY A 110 74.009 11.635 -14.520 1.00 0.00 C ATOM 765 O GLY A 110 74.881 12.187 -15.191 1.00 0.00 O ATOM 0 H GLY A 110 72.818 12.813 -16.637 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.878 11.938 -14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.369 10.338 -15.034 1.00 0.00 H new ATOM 769 N ASP A 111 74.203 11.217 -13.271 1.00 0.00 N ATOM 770 CA ASP A 111 75.497 11.387 -12.603 1.00 0.00 C ATOM 771 C ASP A 111 75.785 12.861 -12.341 1.00 0.00 C ATOM 772 O ASP A 111 76.460 13.525 -13.127 1.00 0.00 O ATOM 773 CB ASP A 111 76.622 10.794 -13.458 1.00 0.00 C ATOM 774 CG ASP A 111 77.881 10.626 -12.614 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.816 10.900 -11.427 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.891 10.226 -13.168 1.00 0.00 O ATOM 0 H ASP A 111 73.489 10.761 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 111 75.451 10.861 -11.649 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.314 9.830 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.827 11.446 -14.307 1.00 0.00 H new ATOM 781 N GLY A 112 75.247 13.369 -11.237 1.00 0.00 N ATOM 782 CA GLY A 112 75.422 14.765 -10.881 1.00 0.00 C ATOM 783 C GLY A 112 74.121 15.518 -11.099 1.00 0.00 C ATOM 784 O GLY A 112 73.919 16.602 -10.556 1.00 0.00 O ATOM 0 H GLY A 112 74.687 12.831 -10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.731 14.848 -9.839 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.215 15.207 -11.485 1.00 0.00 H new ATOM 788 N THR A 113 73.237 14.921 -11.888 1.00 0.00 N ATOM 789 CA THR A 113 71.950 15.523 -12.161 1.00 0.00 C ATOM 790 C THR A 113 70.829 14.659 -11.590 1.00 0.00 C ATOM 791 O THR A 113 70.784 14.414 -10.389 1.00 0.00 O ATOM 792 CB THR A 113 71.783 15.752 -13.666 1.00 0.00 C ATOM 793 OG1 THR A 113 71.888 14.507 -14.341 1.00 0.00 O ATOM 794 CG2 THR A 113 72.866 16.701 -14.172 1.00 0.00 C ATOM 0 H THR A 113 73.392 14.023 -12.346 1.00 0.00 H new ATOM 0 HA THR A 113 71.896 16.495 -11.671 1.00 0.00 H new ATOM 0 HB THR A 113 70.806 16.195 -13.859 1.00 0.00 H new ATOM 0 HG1 THR A 113 72.397 14.626 -15.170 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.740 16.859 -15.243 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.785 17.656 -13.653 1.00 0.00 H new ATOM 0 HG23 THR A 113 73.848 16.267 -13.982 1.00 0.00 H new ATOM 802 N VAL A 114 69.928 14.203 -12.444 1.00 0.00 N ATOM 803 CA VAL A 114 68.824 13.383 -11.992 1.00 0.00 C ATOM 804 C VAL A 114 69.345 12.076 -11.404 1.00 0.00 C ATOM 805 O VAL A 114 70.324 11.511 -11.888 1.00 0.00 O ATOM 806 CB VAL A 114 67.904 13.093 -13.176 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.676 14.376 -13.979 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.553 12.039 -14.072 1.00 0.00 C ATOM 0 H VAL A 114 69.941 14.387 -13.447 1.00 0.00 H new ATOM 0 HA VAL A 114 68.270 13.913 -11.217 1.00 0.00 H new ATOM 0 HB VAL A 114 66.946 12.724 -12.810 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.019 14.165 -14.823 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.215 15.128 -13.339 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.632 14.749 -14.347 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.899 11.829 -14.919 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.511 12.411 -14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.712 11.124 -13.501 1.00 0.00 H new ATOM 818 N VAL A 115 68.690 11.610 -10.351 1.00 0.00 N ATOM 819 CA VAL A 115 69.094 10.375 -9.692 1.00 0.00 C ATOM 820 C VAL A 115 68.027 9.309 -9.873 1.00 0.00 C ATOM 821 O VAL A 115 66.833 9.594 -9.809 1.00 0.00 O ATOM 822 CB VAL A 115 69.332 10.623 -8.208 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.714 9.311 -7.521 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.466 11.639 -8.049 1.00 0.00 C ATOM 0 H VAL A 115 67.878 12.066 -9.935 1.00 0.00 H new ATOM 0 HA VAL A 115 70.022 10.027 -10.146 1.00 0.00 H new ATOM 0 HB VAL A 115 68.423 11.012 -7.749 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.884 9.492 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.907 8.589 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.624 8.916 -7.972 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.644 11.823 -6.989 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.374 11.245 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.189 12.573 -8.538 1.00 0.00 H new ATOM 834 N ASP A 116 68.465 8.080 -10.108 1.00 0.00 N ATOM 835 CA ASP A 116 67.525 6.987 -10.308 1.00 0.00 C ATOM 836 C ASP A 116 67.059 6.459 -8.972 1.00 0.00 C ATOM 837 O ASP A 116 67.842 5.943 -8.180 1.00 0.00 O ATOM 838 CB ASP A 116 68.167 5.857 -11.098 1.00 0.00 C ATOM 839 CG ASP A 116 69.278 6.404 -11.986 1.00 0.00 C ATOM 840 OD1 ASP A 116 68.995 7.276 -12.789 1.00 0.00 O ATOM 841 OD2 ASP A 116 70.399 5.940 -11.848 1.00 0.00 O ATOM 0 H ASP A 116 69.449 7.817 -10.164 1.00 0.00 H new ATOM 0 HA ASP A 116 66.674 7.370 -10.871 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.571 5.110 -10.415 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.415 5.357 -11.709 1.00 0.00 H new ATOM 846 N CYS A 117 65.774 6.611 -8.735 1.00 0.00 N ATOM 847 CA CYS A 117 65.174 6.172 -7.493 1.00 0.00 C ATOM 848 C CYS A 117 64.353 4.904 -7.723 1.00 0.00 C ATOM 849 O CYS A 117 63.591 4.843 -8.670 1.00 0.00 O ATOM 850 CB CYS A 117 64.256 7.274 -7.001 1.00 0.00 C ATOM 851 SG CYS A 117 63.634 6.854 -5.358 1.00 0.00 S ATOM 0 H CYS A 117 65.120 7.038 -9.391 1.00 0.00 H new ATOM 0 HA CYS A 117 65.953 5.958 -6.761 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.794 8.221 -6.966 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.424 7.405 -7.693 1.00 0.00 H new ATOM 856 N PRO A 118 64.464 3.891 -6.905 1.00 0.00 N ATOM 857 CA PRO A 118 63.673 2.640 -7.108 1.00 0.00 C ATOM 858 C PRO A 118 62.163 2.873 -7.108 1.00 0.00 C ATOM 859 O PRO A 118 61.396 1.972 -7.450 1.00 0.00 O ATOM 860 CB PRO A 118 64.072 1.751 -5.929 1.00 0.00 C ATOM 861 CG PRO A 118 64.652 2.685 -4.915 1.00 0.00 C ATOM 862 CD PRO A 118 65.321 3.792 -5.714 1.00 0.00 C ATOM 0 HA PRO A 118 63.886 2.201 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.210 1.219 -5.527 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.799 0.997 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.876 3.086 -4.263 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.372 2.173 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.354 4.730 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.349 3.540 -5.974 1.00 0.00 H new ATOM 870 N VAL A 119 61.736 4.065 -6.706 1.00 0.00 N ATOM 871 CA VAL A 119 60.308 4.364 -6.653 1.00 0.00 C ATOM 872 C VAL A 119 59.833 5.051 -7.931 1.00 0.00 C ATOM 873 O VAL A 119 58.985 4.521 -8.650 1.00 0.00 O ATOM 874 CB VAL A 119 60.019 5.264 -5.452 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.505 5.369 -5.233 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.686 4.676 -4.203 1.00 0.00 C ATOM 0 H VAL A 119 62.346 4.829 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 119 59.768 3.422 -6.554 1.00 0.00 H new ATOM 0 HB VAL A 119 60.419 6.260 -5.641 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.305 6.012 -4.376 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.037 5.793 -6.121 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.095 4.377 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.481 5.317 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.289 3.679 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.763 4.614 -4.361 1.00 0.00 H new ATOM 886 N CYS A 120 60.376 6.233 -8.209 1.00 0.00 N ATOM 887 CA CYS A 120 59.992 6.971 -9.409 1.00 0.00 C ATOM 888 C CYS A 120 60.996 6.727 -10.533 1.00 0.00 C ATOM 889 O CYS A 120 60.657 6.802 -11.713 1.00 0.00 O ATOM 890 CB CYS A 120 59.903 8.469 -9.097 1.00 0.00 C ATOM 891 SG CYS A 120 61.421 9.016 -8.275 1.00 0.00 S ATOM 0 H CYS A 120 61.075 6.696 -7.628 1.00 0.00 H new ATOM 0 HA CYS A 120 59.014 6.617 -9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.754 9.033 -10.018 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.042 8.666 -8.459 1.00 0.00 H new ATOM 896 N LYS A 121 62.228 6.412 -10.154 1.00 0.00 N ATOM 897 CA LYS A 121 63.281 6.132 -11.129 1.00 0.00 C ATOM 898 C LYS A 121 63.453 7.305 -12.089 1.00 0.00 C ATOM 899 O LYS A 121 63.889 7.133 -13.229 1.00 0.00 O ATOM 900 CB LYS A 121 62.933 4.851 -11.906 1.00 0.00 C ATOM 901 CG LYS A 121 63.661 3.639 -11.305 1.00 0.00 C ATOM 902 CD LYS A 121 62.660 2.732 -10.582 1.00 0.00 C ATOM 903 CE LYS A 121 63.235 1.319 -10.506 1.00 0.00 C ATOM 904 NZ LYS A 121 62.329 0.449 -9.703 1.00 0.00 N ATOM 0 H LYS A 121 62.525 6.343 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 121 64.223 5.988 -10.600 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.856 4.685 -11.880 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.212 4.967 -12.953 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.167 3.081 -12.093 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.429 3.975 -10.608 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.463 3.113 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.708 2.723 -11.113 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.353 0.910 -11.509 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.226 1.344 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.855 -0.383 -9.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 61.968 0.983 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.532 0.139 -10.294 1.00 0.00 H new ATOM 918 N GLN A 122 63.122 8.501 -11.614 1.00 0.00 N ATOM 919 CA GLN A 122 63.254 9.700 -12.431 1.00 0.00 C ATOM 920 C GLN A 122 63.286 10.953 -11.560 1.00 0.00 C ATOM 921 O GLN A 122 62.500 11.092 -10.623 1.00 0.00 O ATOM 922 CB GLN A 122 62.092 9.796 -13.415 1.00 0.00 C ATOM 923 CG GLN A 122 62.319 10.978 -14.357 1.00 0.00 C ATOM 924 CD GLN A 122 61.204 11.026 -15.397 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.327 10.162 -15.406 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.184 11.986 -16.278 1.00 0.00 N ATOM 0 H GLN A 122 62.763 8.665 -10.674 1.00 0.00 H new ATOM 0 HA GLN A 122 64.193 9.631 -12.980 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.009 8.872 -13.987 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.154 9.922 -12.875 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.341 11.909 -13.790 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.286 10.882 -14.850 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.911 12.701 -16.269 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.441 12.022 -16.976 1.00 0.00 H new ATOM 935 N GLN A 123 64.196 11.865 -11.881 1.00 0.00 N ATOM 936 CA GLN A 123 64.318 13.108 -11.131 1.00 0.00 C ATOM 937 C GLN A 123 64.621 14.268 -12.062 1.00 0.00 C ATOM 938 O GLN A 123 65.048 14.067 -13.194 1.00 0.00 O ATOM 939 CB GLN A 123 65.418 12.986 -10.072 1.00 0.00 C ATOM 940 CG GLN A 123 64.776 12.833 -8.691 1.00 0.00 C ATOM 941 CD GLN A 123 64.004 14.105 -8.346 1.00 0.00 C ATOM 942 OE1 GLN A 123 64.588 15.186 -8.275 1.00 0.00 O ATOM 943 NE2 GLN A 123 62.717 14.043 -8.140 1.00 0.00 N ATOM 0 H GLN A 123 64.857 11.768 -12.652 1.00 0.00 H new ATOM 0 HA GLN A 123 63.368 13.300 -10.633 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.053 12.127 -10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.058 13.868 -10.093 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.105 11.974 -8.683 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.543 12.645 -7.940 1.00 0.00 H new ATOM 0 HE21 GLN A 123 62.234 13.147 -8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 123 62.194 14.891 -7.920 1.00 0.00 H new ATOM 952 N CYS A 124 64.389 15.481 -11.577 1.00 0.00 N ATOM 953 CA CYS A 124 64.646 16.670 -12.376 1.00 0.00 C ATOM 954 C CYS A 124 66.030 17.232 -12.062 1.00 0.00 C ATOM 955 O CYS A 124 66.777 17.613 -12.960 1.00 0.00 O ATOM 956 CB CYS A 124 63.582 17.733 -12.097 1.00 0.00 C ATOM 957 SG CYS A 124 63.458 18.019 -10.314 1.00 0.00 S ATOM 0 H CYS A 124 64.026 15.666 -10.642 1.00 0.00 H new ATOM 0 HA CYS A 124 64.607 16.393 -13.430 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.839 18.661 -12.607 1.00 0.00 H new ATOM 0 HB3 CYS A 124 62.619 17.409 -12.491 1.00 0.00 H new ATOM 0 HG CYS A 124 64.357 18.885 -9.950 1.00 0.00 H new ATOM 963 N PHE A 125 66.357 17.283 -10.773 1.00 0.00 N ATOM 964 CA PHE A 125 67.648 17.806 -10.339 1.00 0.00 C ATOM 965 C PHE A 125 68.177 17.024 -9.147 1.00 0.00 C ATOM 966 O PHE A 125 67.507 16.128 -8.636 1.00 0.00 O ATOM 967 CB PHE A 125 67.513 19.270 -9.934 1.00 0.00 C ATOM 968 CG PHE A 125 66.827 20.034 -11.036 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.487 20.412 -10.896 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.529 20.362 -12.199 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.850 21.122 -11.921 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.895 21.070 -13.224 1.00 0.00 C ATOM 973 CZ PHE A 125 65.554 21.450 -13.086 1.00 0.00 C ATOM 0 H PHE A 125 65.749 16.970 -10.016 1.00 0.00 H new ATOM 0 HA PHE A 125 68.342 17.709 -11.174 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.941 19.352 -9.010 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.497 19.697 -9.739 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.944 20.156 -9.998 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.563 20.068 -12.306 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.817 21.416 -11.813 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.439 21.324 -14.122 1.00 0.00 H new ATOM 0 HZ PHE A 125 65.063 21.996 -13.878 1.00 0.00 H new ATOM 983 N SER A 126 69.383 17.380 -8.705 1.00 0.00 N ATOM 984 CA SER A 126 69.987 16.707 -7.564 1.00 0.00 C ATOM 985 C SER A 126 70.274 17.685 -6.420 1.00 0.00 C ATOM 986 O SER A 126 71.394 17.774 -5.917 1.00 0.00 O ATOM 987 CB SER A 126 71.272 16.005 -7.990 1.00 0.00 C ATOM 988 OG SER A 126 71.811 16.658 -9.132 1.00 0.00 O ATOM 0 H SER A 126 69.952 18.121 -9.115 1.00 0.00 H new ATOM 0 HA SER A 126 69.276 15.967 -7.198 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.995 16.019 -7.174 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.069 14.959 -8.218 1.00 0.00 H new ATOM 0 HG SER A 126 72.765 16.449 -9.209 1.00 0.00 H new ATOM 994 N LYS A 127 69.251 18.413 -6.017 1.00 0.00 N ATOM 995 CA LYS A 127 69.392 19.373 -4.926 1.00 0.00 C ATOM 996 C LYS A 127 69.128 18.726 -3.566 1.00 0.00 C ATOM 997 O LYS A 127 69.678 19.156 -2.554 1.00 0.00 O ATOM 998 CB LYS A 127 68.429 20.527 -5.128 1.00 0.00 C ATOM 999 CG LYS A 127 68.771 21.244 -6.430 1.00 0.00 C ATOM 1000 CD LYS A 127 67.938 22.518 -6.541 1.00 0.00 C ATOM 1001 CE LYS A 127 66.468 22.149 -6.741 1.00 0.00 C ATOM 1002 NZ LYS A 127 65.672 23.392 -6.915 1.00 0.00 N ATOM 0 H LYS A 127 68.316 18.363 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 127 70.420 19.736 -4.936 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.403 20.159 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.493 21.220 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.833 21.487 -6.456 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.573 20.591 -7.280 1.00 0.00 H new ATOM 0 HD2 LYS A 127 68.054 23.121 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 127 68.289 23.123 -7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 127 66.357 21.507 -7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 127 66.102 21.586 -5.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 64.671 23.147 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 65.770 23.988 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 66.018 23.912 -7.747 1.00 0.00 H new ATOM 1016 N ASP A 128 68.264 17.712 -3.545 1.00 0.00 N ATOM 1017 CA ASP A 128 67.923 17.044 -2.287 1.00 0.00 C ATOM 1018 C ASP A 128 68.441 15.610 -2.254 1.00 0.00 C ATOM 1019 O ASP A 128 67.923 14.772 -1.513 1.00 0.00 O ATOM 1020 CB ASP A 128 66.406 17.042 -2.091 1.00 0.00 C ATOM 1021 CG ASP A 128 66.064 17.064 -0.603 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.966 16.888 0.196 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.900 17.252 -0.288 1.00 0.00 O ATOM 0 H ASP A 128 67.793 17.339 -4.369 1.00 0.00 H new ATOM 0 HA ASP A 128 68.401 17.597 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.968 17.909 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 128 65.973 16.157 -2.558 1.00 0.00 H new ATOM 1028 N ILE A 129 69.462 15.330 -3.054 1.00 0.00 N ATOM 1029 CA ILE A 129 70.035 13.989 -3.107 1.00 0.00 C ATOM 1030 C ILE A 129 70.786 13.656 -1.825 1.00 0.00 C ATOM 1031 O ILE A 129 70.743 14.415 -0.848 1.00 0.00 O ATOM 1032 CB ILE A 129 70.993 13.867 -4.294 1.00 0.00 C ATOM 1033 CG1 ILE A 129 71.985 15.035 -4.271 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.189 13.886 -5.587 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.153 14.741 -5.213 1.00 0.00 C ATOM 0 H ILE A 129 69.909 16.008 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 129 69.211 13.285 -3.223 1.00 0.00 H new ATOM 0 HB ILE A 129 71.548 12.931 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.485 15.955 -4.573 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.354 15.191 -3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 129 70.865 13.799 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.490 13.050 -5.593 1.00 0.00 H new ATOM 0 HG23 ILE A 129 69.636 14.822 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 129 73.855 15.574 -5.193 1.00 0.00 H new ATOM 0 HD12 ILE A 129 73.660 13.831 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE A 129 72.777 14.607 -6.228 1.00 0.00 H new ATOM 1047 N VAL A 130 71.467 12.506 -1.843 1.00 0.00 N ATOM 1048 CA VAL A 130 72.232 12.064 -0.694 1.00 0.00 C ATOM 1049 C VAL A 130 73.032 13.214 -0.149 1.00 0.00 C ATOM 1050 O VAL A 130 74.020 13.626 -0.751 1.00 0.00 O ATOM 1051 CB VAL A 130 73.176 10.926 -1.075 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.722 11.147 -2.497 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.351 10.866 -0.084 1.00 0.00 C ATOM 0 H VAL A 130 71.498 11.873 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 130 71.538 11.702 0.064 1.00 0.00 H new ATOM 0 HB VAL A 130 72.623 9.987 -1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.394 10.330 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.893 11.177 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.266 12.091 -2.535 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.020 10.052 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.897 11.809 -0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.970 10.694 0.923 1.00 0.00 H new ATOM 1063 N GLU A 131 72.570 13.717 0.988 1.00 0.00 N ATOM 1064 CA GLU A 131 73.194 14.844 1.672 1.00 0.00 C ATOM 1065 C GLU A 131 72.260 15.443 2.697 1.00 0.00 C ATOM 1066 O GLU A 131 72.685 15.854 3.775 1.00 0.00 O ATOM 1067 CB GLU A 131 73.538 15.956 0.697 1.00 0.00 C ATOM 1068 CG GLU A 131 75.041 15.931 0.451 1.00 0.00 C ATOM 1069 CD GLU A 131 75.379 16.606 -0.871 1.00 0.00 C ATOM 1070 OE1 GLU A 131 75.101 16.015 -1.903 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.915 17.699 -0.834 1.00 0.00 O ATOM 0 H GLU A 131 71.746 13.352 1.466 1.00 0.00 H new ATOM 0 HA GLU A 131 74.094 14.453 2.147 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.998 15.820 -0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 131 73.236 16.922 1.101 1.00 0.00 H new ATOM 0 HG2 GLU A 131 75.557 16.438 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 131 75.396 14.901 0.441 1.00 0.00 H new ATOM 1078 N ASN A 132 70.989 15.534 2.337 1.00 0.00 N ATOM 1079 CA ASN A 132 70.027 16.146 3.231 1.00 0.00 C ATOM 1080 C ASN A 132 69.396 15.121 4.167 1.00 0.00 C ATOM 1081 O ASN A 132 68.231 14.755 4.006 1.00 0.00 O ATOM 1082 CB ASN A 132 68.937 16.843 2.421 1.00 0.00 C ATOM 1083 CG ASN A 132 69.552 17.964 1.590 1.00 0.00 C ATOM 1084 OD1 ASN A 132 69.734 19.076 2.081 1.00 0.00 O ATOM 1085 ND2 ASN A 132 69.907 17.727 0.357 1.00 0.00 N ATOM 0 H ASN A 132 70.609 15.199 1.452 1.00 0.00 H new ATOM 0 HA ASN A 132 70.558 16.876 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 132 68.439 16.125 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 132 68.176 17.247 3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 132 70.336 18.465 -0.201 1.00 0.00 H new ATOM 0 HD22 ASN A 132 69.755 16.804 -0.049 1.00 0.00 H new ATOM 1092 N TYR A 133 70.168 14.659 5.140 1.00 0.00 N ATOM 1093 CA TYR A 133 69.676 13.675 6.086 1.00 0.00 C ATOM 1094 C TYR A 133 68.600 14.273 6.993 1.00 0.00 C ATOM 1095 O TYR A 133 68.678 15.440 7.382 1.00 0.00 O ATOM 1096 CB TYR A 133 70.840 13.174 6.933 1.00 0.00 C ATOM 1097 CG TYR A 133 71.135 14.160 8.034 1.00 0.00 C ATOM 1098 CD1 TYR A 133 70.642 13.921 9.316 1.00 0.00 C ATOM 1099 CD2 TYR A 133 71.902 15.302 7.777 1.00 0.00 C ATOM 1100 CE1 TYR A 133 70.908 14.827 10.350 1.00 0.00 C ATOM 1101 CE2 TYR A 133 72.171 16.209 8.811 1.00 0.00 C ATOM 1102 CZ TYR A 133 71.674 15.970 10.098 1.00 0.00 C ATOM 1103 OH TYR A 133 71.941 16.860 11.117 1.00 0.00 O ATOM 0 H TYR A 133 71.134 14.950 5.293 1.00 0.00 H new ATOM 0 HA TYR A 133 69.231 12.849 5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.598 12.201 7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.723 13.038 6.309 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.054 13.036 9.512 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.286 15.484 6.784 1.00 0.00 H new ATOM 0 HE1 TYR A 133 70.522 14.643 11.342 1.00 0.00 H new ATOM 0 HE2 TYR A 133 72.761 17.092 8.615 1.00 0.00 H new ATOM 0 HH TYR A 133 72.486 17.598 10.772 1.00 0.00 H new ATOM 1113 N PHE A 134 67.600 13.460 7.327 1.00 0.00 N ATOM 1114 CA PHE A 134 66.516 13.905 8.189 1.00 0.00 C ATOM 1115 C PHE A 134 66.670 13.310 9.589 1.00 0.00 C ATOM 1116 O PHE A 134 67.121 13.986 10.513 1.00 0.00 O ATOM 1117 CB PHE A 134 65.174 13.486 7.582 1.00 0.00 C ATOM 1118 CG PHE A 134 64.438 14.710 7.094 1.00 0.00 C ATOM 1119 CD1 PHE A 134 64.175 14.864 5.729 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.020 15.689 8.002 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.496 15.998 5.270 1.00 0.00 C ATOM 1122 CE2 PHE A 134 63.340 16.824 7.544 1.00 0.00 C ATOM 1123 CZ PHE A 134 63.078 16.979 6.178 1.00 0.00 C ATOM 0 H PHE A 134 67.521 12.493 7.013 1.00 0.00 H new ATOM 0 HA PHE A 134 66.550 14.991 8.271 1.00 0.00 H new ATOM 0 HB2 PHE A 134 65.337 12.793 6.756 1.00 0.00 H new ATOM 0 HB3 PHE A 134 64.575 12.961 8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 134 64.496 14.107 5.029 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.222 15.569 9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 134 63.294 16.117 4.216 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.018 17.580 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 134 62.554 17.855 5.824 1.00 0.00 H new ATOM 1133 N MET A 135 66.293 12.043 9.736 1.00 0.00 N ATOM 1134 CA MET A 135 66.391 11.367 11.015 1.00 0.00 C ATOM 1135 C MET A 135 67.109 10.029 10.862 1.00 0.00 C ATOM 1136 O MET A 135 66.995 9.367 9.831 1.00 0.00 O ATOM 1137 CB MET A 135 64.993 11.136 11.577 1.00 0.00 C ATOM 1138 CG MET A 135 64.361 12.473 11.970 1.00 0.00 C ATOM 1139 SD MET A 135 65.268 13.194 13.362 1.00 0.00 S ATOM 1140 CE MET A 135 64.660 12.063 14.638 1.00 0.00 C ATOM 0 H MET A 135 65.917 11.468 8.982 1.00 0.00 H new ATOM 0 HA MET A 135 66.964 11.993 11.699 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.372 10.635 10.835 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.045 10.479 12.445 1.00 0.00 H new ATOM 0 HG2 MET A 135 64.376 13.156 11.121 1.00 0.00 H new ATOM 0 HG3 MET A 135 63.316 12.326 12.242 1.00 0.00 H new ATOM 0 HE1 MET A 135 64.247 12.638 15.467 1.00 0.00 H new ATOM 0 HE2 MET A 135 63.884 11.423 14.217 1.00 0.00 H new ATOM 0 HE3 MET A 135 65.483 11.446 14.999 1.00 0.00 H new ATOM 1150 N ARG A 136 67.846 9.640 11.895 1.00 0.00 N ATOM 1151 CA ARG A 136 68.585 8.381 11.872 1.00 0.00 C ATOM 1152 C ARG A 136 67.964 7.382 12.838 1.00 0.00 C ATOM 1153 O ARG A 136 68.668 6.680 13.564 1.00 0.00 O ATOM 1154 CB ARG A 136 70.041 8.628 12.257 1.00 0.00 C ATOM 1155 CG ARG A 136 70.705 9.484 11.184 1.00 0.00 C ATOM 1156 CD ARG A 136 72.218 9.458 11.380 1.00 0.00 C ATOM 1157 NE ARG A 136 72.569 10.019 12.680 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.651 11.335 12.879 1.00 0.00 C ATOM 1159 NH1 ARG A 136 72.406 12.178 11.905 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.983 11.787 14.057 1.00 0.00 N ATOM 0 H ARG A 136 67.949 10.175 12.757 1.00 0.00 H new ATOM 0 HA ARG A 136 68.540 7.970 10.863 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.094 9.129 13.223 1.00 0.00 H new ATOM 0 HB3 ARG A 136 70.568 7.680 12.360 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.449 9.108 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 136 70.337 10.508 11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 136 72.584 8.434 11.308 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.704 10.027 10.587 1.00 0.00 H new ATOM 0 HE ARG A 136 72.757 9.387 13.458 1.00 0.00 H new ATOM 0 HH11 ARG A 136 72.149 11.830 10.981 1.00 0.00 H new ATOM 0 HH12 ARG A 136 72.472 13.182 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.178 11.135 14.817 1.00 0.00 H new ATOM 0 HH22 ARG A 136 73.048 12.792 14.218 1.00 0.00 H new ATOM 1174 N ASP A 137 66.638 7.330 12.845 1.00 0.00 N ATOM 1175 CA ASP A 137 65.921 6.421 13.729 1.00 0.00 C ATOM 1176 C ASP A 137 66.049 4.984 13.240 1.00 0.00 C ATOM 1177 O ASP A 137 66.235 4.744 12.047 1.00 0.00 O ATOM 1178 CB ASP A 137 64.454 6.816 13.810 1.00 0.00 C ATOM 1179 CG ASP A 137 64.309 8.124 14.579 1.00 0.00 C ATOM 1180 OD1 ASP A 137 65.264 8.520 15.227 1.00 0.00 O ATOM 1181 OD2 ASP A 137 63.242 8.712 14.509 1.00 0.00 O ATOM 0 H ASP A 137 66.040 7.904 12.251 1.00 0.00 H new ATOM 0 HA ASP A 137 66.362 6.489 14.723 1.00 0.00 H new ATOM 0 HB2 ASP A 137 64.043 6.927 12.807 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.884 6.029 14.303 1.00 0.00 H new ATOM 1186 N SER A 138 65.950 4.034 14.168 1.00 0.00 N ATOM 1187 CA SER A 138 66.064 2.627 13.824 1.00 0.00 C ATOM 1188 C SER A 138 65.816 1.745 15.048 1.00 0.00 C ATOM 1189 O SER A 138 64.804 1.048 15.129 1.00 0.00 O ATOM 1190 CB SER A 138 67.455 2.356 13.261 1.00 0.00 C ATOM 1191 OG SER A 138 68.440 2.694 14.229 1.00 0.00 O ATOM 0 H SER A 138 65.792 4.217 15.159 1.00 0.00 H new ATOM 0 HA SER A 138 65.310 2.387 13.074 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.548 1.305 12.986 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.610 2.938 12.353 1.00 0.00 H new ATOM 0 HG SER A 138 68.701 3.632 14.117 1.00 0.00 H new ATOM 1197 N GLY A 139 66.745 1.782 15.999 1.00 0.00 N ATOM 1198 CA GLY A 139 66.626 0.984 17.214 1.00 0.00 C ATOM 1199 C GLY A 139 67.454 1.588 18.342 1.00 0.00 C ATOM 1200 O GLY A 139 67.116 2.642 18.879 1.00 0.00 O ATOM 0 H GLY A 139 67.587 2.355 15.951 1.00 0.00 H new ATOM 0 HA2 GLY A 139 65.580 0.926 17.515 1.00 0.00 H new ATOM 0 HA3 GLY A 139 66.958 -0.036 17.019 1.00 0.00 H new ATOM 1204 N SER A 140 68.544 0.912 18.697 1.00 0.00 N ATOM 1205 CA SER A 140 69.415 1.391 19.764 1.00 0.00 C ATOM 1206 C SER A 140 70.430 2.391 19.215 1.00 0.00 C ATOM 1207 O SER A 140 71.639 2.165 19.284 1.00 0.00 O ATOM 1208 CB SER A 140 70.150 0.211 20.399 1.00 0.00 C ATOM 1209 OG SER A 140 70.659 0.600 21.667 1.00 0.00 O ATOM 0 H SER A 140 68.843 0.038 18.265 1.00 0.00 H new ATOM 0 HA SER A 140 68.804 1.888 20.517 1.00 0.00 H new ATOM 0 HB2 SER A 140 69.473 -0.636 20.511 1.00 0.00 H new ATOM 0 HB3 SER A 140 70.964 -0.115 19.752 1.00 0.00 H new ATOM 0 HG SER A 140 70.987 -0.190 22.144 1.00 0.00 H new ATOM 1215 N LYS A 141 69.929 3.499 18.683 1.00 0.00 N ATOM 1216 CA LYS A 141 70.793 4.534 18.127 1.00 0.00 C ATOM 1217 C LYS A 141 71.759 5.054 19.184 1.00 0.00 C ATOM 1218 O LYS A 141 72.921 5.336 18.892 1.00 0.00 O ATOM 1219 CB LYS A 141 69.946 5.687 17.588 1.00 0.00 C ATOM 1220 CG LYS A 141 70.867 6.775 17.029 1.00 0.00 C ATOM 1221 CD LYS A 141 70.032 7.866 16.354 1.00 0.00 C ATOM 1222 CE LYS A 141 69.223 8.623 17.410 1.00 0.00 C ATOM 1223 NZ LYS A 141 68.490 9.747 16.761 1.00 0.00 N ATOM 0 H LYS A 141 68.932 3.704 18.625 1.00 0.00 H new ATOM 0 HA LYS A 141 71.371 4.099 17.312 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.275 5.327 16.808 1.00 0.00 H new ATOM 0 HB3 LYS A 141 69.321 6.096 18.382 1.00 0.00 H new ATOM 0 HG2 LYS A 141 71.464 7.206 17.832 1.00 0.00 H new ATOM 0 HG3 LYS A 141 71.563 6.341 16.311 1.00 0.00 H new ATOM 0 HD2 LYS A 141 70.683 8.556 15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 141 69.362 7.422 15.618 1.00 0.00 H new ATOM 0 HE2 LYS A 141 68.519 7.948 17.897 1.00 0.00 H new ATOM 0 HE3 LYS A 141 69.886 9.006 18.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 67.940 10.262 17.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 69.171 10.395 16.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 67.847 9.369 16.036 1.00 0.00 H new ATOM 1237 N ALA A 142 71.271 5.182 20.409 1.00 0.00 N ATOM 1238 CA ALA A 142 72.098 5.675 21.503 1.00 0.00 C ATOM 1239 C ALA A 142 73.307 4.776 21.711 1.00 0.00 C ATOM 1240 O ALA A 142 74.398 5.247 22.034 1.00 0.00 O ATOM 1241 CB ALA A 142 71.279 5.742 22.793 1.00 0.00 C ATOM 0 H ALA A 142 70.312 4.953 20.671 1.00 0.00 H new ATOM 0 HA ALA A 142 72.446 6.675 21.244 1.00 0.00 H new ATOM 0 HB1 ALA A 142 71.907 6.112 23.604 1.00 0.00 H new ATOM 0 HB2 ALA A 142 70.434 6.416 22.653 1.00 0.00 H new ATOM 0 HB3 ALA A 142 70.912 4.747 23.043 1.00 0.00 H new ATOM 1247 N ALA A 143 73.106 3.485 21.529 1.00 0.00 N ATOM 1248 CA ALA A 143 74.187 2.519 21.704 1.00 0.00 C ATOM 1249 C ALA A 143 75.266 2.723 20.643 1.00 0.00 C ATOM 1250 O ALA A 143 74.969 3.089 19.506 1.00 0.00 O ATOM 1251 CB ALA A 143 73.642 1.093 21.613 1.00 0.00 C ATOM 0 H ALA A 143 72.210 3.077 21.261 1.00 0.00 H new ATOM 0 HA ALA A 143 74.627 2.674 22.689 1.00 0.00 H new ATOM 0 HB1 ALA A 143 74.458 0.383 21.745 1.00 0.00 H new ATOM 0 HB2 ALA A 143 72.896 0.938 22.393 1.00 0.00 H new ATOM 0 HB3 ALA A 143 73.183 0.941 20.636 1.00 0.00 H new ATOM 1257 N THR A 144 76.517 2.488 21.026 1.00 0.00 N ATOM 1258 CA THR A 144 77.632 2.650 20.097 1.00 0.00 C ATOM 1259 C THR A 144 77.580 1.588 19.005 1.00 0.00 C ATOM 1260 O THR A 144 78.035 1.814 17.884 1.00 0.00 O ATOM 1261 CB THR A 144 78.959 2.544 20.853 1.00 0.00 C ATOM 1262 OG1 THR A 144 79.034 1.280 21.497 1.00 0.00 O ATOM 1263 CG2 THR A 144 79.050 3.659 21.896 1.00 0.00 C ATOM 0 H THR A 144 76.784 2.188 21.964 1.00 0.00 H new ATOM 0 HA THR A 144 77.554 3.633 19.633 1.00 0.00 H new ATOM 0 HB THR A 144 79.786 2.644 20.150 1.00 0.00 H new ATOM 0 HG1 THR A 144 79.884 1.209 21.980 1.00 0.00 H new ATOM 0 HG21 THR A 144 79.996 3.580 22.432 1.00 0.00 H new ATOM 0 HG22 THR A 144 78.994 4.628 21.399 1.00 0.00 H new ATOM 0 HG23 THR A 144 78.225 3.565 22.602 1.00 0.00 H new ATOM 1271 N ASP A 145 77.021 0.429 19.339 1.00 0.00 N ATOM 1272 CA ASP A 145 76.913 -0.661 18.375 1.00 0.00 C ATOM 1273 C ASP A 145 75.462 -0.853 17.945 1.00 0.00 C ATOM 1274 O ASP A 145 75.041 -1.994 17.840 1.00 0.00 O ATOM 1275 CB ASP A 145 77.446 -1.959 18.986 1.00 0.00 C ATOM 1276 CG ASP A 145 76.650 -2.316 20.238 1.00 0.00 C ATOM 1277 OD1 ASP A 145 75.779 -1.544 20.602 1.00 0.00 O ATOM 1278 OD2 ASP A 145 76.923 -3.357 20.813 1.00 0.00 O ATOM 1279 OXT ASP A 145 74.793 0.143 17.724 1.00 0.00 O ATOM 0 H ASP A 145 76.639 0.221 20.262 1.00 0.00 H new ATOM 0 HA ASP A 145 77.509 -0.405 17.499 1.00 0.00 H new ATOM 0 HB2 ASP A 145 77.376 -2.768 18.259 1.00 0.00 H new ATOM 0 HB3 ASP A 145 78.501 -1.846 19.236 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.955 8.327 -6.091 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.563 0.850 1.147 1.00 0.00 ZN