USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 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 Single : A 64 HIS : no HD1:sc= -0.163 K(o=-0.16,f=-1) USER MOD Single : A 86 SER OG : rot -170:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.892 USER MOD Single : A 101 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.3!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 121 LYS NZ :NH3+ -159:sc= 0.902 (180deg=0.623) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 123 GLN : amide:sc= -4.98! C(o=-5!,f=-11!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 109:sc= -2.75 USER MOD Single : A 127 LYS NZ :NH3+ -141:sc= -0.0132 (180deg=-1.07) USER MOD Single : A 132 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.39) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -107:sc= -0.578 (180deg=-5.69!) USER MOD Single : A 138 SER OG : rot -100:sc= -0.73 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -161:sc= -0.0397 (180deg=-0.505) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 57.346 0.012 17.053 1.00 0.00 N ATOM 2 CA GLY A 54 57.949 1.057 17.871 1.00 0.00 C ATOM 3 C GLY A 54 59.334 1.428 17.353 1.00 0.00 C ATOM 4 O GLY A 54 59.707 2.602 17.337 1.00 0.00 O ATOM 0 HA2 GLY A 54 57.309 1.939 17.870 1.00 0.00 H new ATOM 0 HA3 GLY A 54 58.023 0.718 18.904 1.00 0.00 H new ATOM 8 N GLY A 55 60.094 0.423 16.933 1.00 0.00 N ATOM 9 CA GLY A 55 61.437 0.656 16.421 1.00 0.00 C ATOM 10 C GLY A 55 61.387 1.346 15.066 1.00 0.00 C ATOM 11 O GLY A 55 60.446 1.155 14.296 1.00 0.00 O ATOM 0 H GLY A 55 59.804 -0.555 16.937 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.998 1.269 17.126 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.967 -0.293 16.332 1.00 0.00 H new ATOM 15 N ALA A 56 62.407 2.146 14.780 1.00 0.00 N ATOM 16 CA ALA A 56 62.476 2.863 13.515 1.00 0.00 C ATOM 17 C ALA A 56 61.192 3.644 13.264 1.00 0.00 C ATOM 18 O ALA A 56 60.210 3.106 12.751 1.00 0.00 O ATOM 19 CB ALA A 56 62.738 1.883 12.367 1.00 0.00 C ATOM 0 H ALA A 56 63.195 2.314 15.406 1.00 0.00 H new ATOM 0 HA ALA A 56 63.301 3.574 13.567 1.00 0.00 H new ATOM 0 HB1 ALA A 56 62.788 2.430 11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.683 1.367 12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 56 61.930 1.153 12.320 1.00 0.00 H new ATOM 25 N GLU A 57 61.212 4.926 13.622 1.00 0.00 N ATOM 26 CA GLU A 57 60.052 5.792 13.429 1.00 0.00 C ATOM 27 C GLU A 57 60.082 6.431 12.046 1.00 0.00 C ATOM 28 O GLU A 57 59.588 7.543 11.840 1.00 0.00 O ATOM 29 CB GLU A 57 60.027 6.888 14.483 1.00 0.00 C ATOM 30 CG GLU A 57 59.658 6.289 15.841 1.00 0.00 C ATOM 31 CD GLU A 57 59.810 7.342 16.933 1.00 0.00 C ATOM 32 OE1 GLU A 57 60.397 8.375 16.654 1.00 0.00 O ATOM 33 OE2 GLU A 57 59.337 7.100 18.030 1.00 0.00 O ATOM 0 H GLU A 57 62.017 5.387 14.046 1.00 0.00 H new ATOM 0 HA GLU A 57 59.156 5.178 13.522 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.002 7.372 14.541 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.305 7.656 14.205 1.00 0.00 H new ATOM 0 HG2 GLU A 57 58.632 5.921 15.819 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.299 5.434 16.057 1.00 0.00 H new ATOM 40 N ALA A 58 60.657 5.712 11.102 1.00 0.00 N ATOM 41 CA ALA A 58 60.756 6.187 9.737 1.00 0.00 C ATOM 42 C ALA A 58 59.384 6.419 9.127 1.00 0.00 C ATOM 43 O ALA A 58 59.261 7.042 8.078 1.00 0.00 O ATOM 44 CB ALA A 58 61.579 5.218 8.892 1.00 0.00 C ATOM 0 H ALA A 58 61.065 4.790 11.258 1.00 0.00 H new ATOM 0 HA ALA A 58 61.269 7.149 9.752 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.643 5.591 7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.582 5.132 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.101 4.239 8.892 1.00 0.00 H new ATOM 50 N LEU A 59 58.359 5.928 9.798 1.00 0.00 N ATOM 51 CA LEU A 59 56.987 6.088 9.342 1.00 0.00 C ATOM 52 C LEU A 59 56.693 7.535 8.966 1.00 0.00 C ATOM 53 O LEU A 59 55.780 7.806 8.187 1.00 0.00 O ATOM 54 CB LEU A 59 56.058 5.684 10.470 1.00 0.00 C ATOM 55 CG LEU A 59 56.071 4.167 10.608 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.527 3.794 11.980 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.172 3.538 9.536 1.00 0.00 C ATOM 0 H LEU A 59 58.451 5.409 10.671 1.00 0.00 H new ATOM 0 HA LEU A 59 56.837 5.465 8.460 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.375 6.149 11.403 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.046 6.034 10.267 1.00 0.00 H new ATOM 0 HG LEU A 59 57.091 3.802 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.531 2.710 12.091 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.153 4.240 12.753 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.507 4.165 12.080 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.186 2.453 9.640 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.152 3.901 9.658 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.539 3.812 8.547 1.00 0.00 H new ATOM 69 N GLU A 60 57.457 8.461 9.529 1.00 0.00 N ATOM 70 CA GLU A 60 57.241 9.868 9.241 1.00 0.00 C ATOM 71 C GLU A 60 57.387 10.134 7.754 1.00 0.00 C ATOM 72 O GLU A 60 56.602 10.874 7.162 1.00 0.00 O ATOM 73 CB GLU A 60 58.258 10.721 10.002 1.00 0.00 C ATOM 74 CG GLU A 60 57.947 10.687 11.499 1.00 0.00 C ATOM 75 CD GLU A 60 59.067 11.368 12.280 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.105 11.618 11.689 1.00 0.00 O ATOM 77 OE2 GLU A 60 58.872 11.628 13.455 1.00 0.00 O ATOM 0 H GLU A 60 58.220 8.266 10.178 1.00 0.00 H new ATOM 0 HA GLU A 60 56.231 10.130 9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.266 10.348 9.822 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.229 11.748 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 60 56.999 11.189 11.693 1.00 0.00 H new ATOM 0 HG3 GLU A 60 57.835 9.655 11.832 1.00 0.00 H new ATOM 84 N LEU A 61 58.397 9.530 7.161 1.00 0.00 N ATOM 85 CA LEU A 61 58.649 9.708 5.735 1.00 0.00 C ATOM 86 C LEU A 61 58.213 8.485 4.924 1.00 0.00 C ATOM 87 O LEU A 61 57.656 8.627 3.838 1.00 0.00 O ATOM 88 CB LEU A 61 60.134 9.968 5.523 1.00 0.00 C ATOM 89 CG LEU A 61 60.577 11.151 6.383 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.063 11.403 6.172 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.782 12.405 6.007 1.00 0.00 C ATOM 0 H LEU A 61 59.056 8.914 7.636 1.00 0.00 H new ATOM 0 HA LEU A 61 58.062 10.558 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.710 9.080 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.330 10.177 4.471 1.00 0.00 H new ATOM 0 HG LEU A 61 60.392 10.918 7.432 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.380 12.247 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.627 10.515 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.248 11.628 5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.107 13.241 6.627 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.953 12.643 4.957 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.719 12.224 6.169 1.00 0.00 H new ATOM 103 N LEU A 62 58.469 7.293 5.466 1.00 0.00 N ATOM 104 CA LEU A 62 58.113 6.042 4.812 1.00 0.00 C ATOM 105 C LEU A 62 58.270 4.897 5.806 1.00 0.00 C ATOM 106 O LEU A 62 57.307 4.527 6.469 1.00 0.00 O ATOM 107 CB LEU A 62 58.995 5.822 3.575 1.00 0.00 C ATOM 108 CG LEU A 62 58.177 6.107 2.320 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.079 6.715 1.245 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.576 4.799 1.802 1.00 0.00 C ATOM 0 H LEU A 62 58.928 7.173 6.369 1.00 0.00 H new ATOM 0 HA LEU A 62 57.076 6.082 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.865 6.477 3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.367 4.798 3.556 1.00 0.00 H new ATOM 0 HG LEU A 62 57.378 6.809 2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.492 6.918 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.509 7.646 1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.879 6.016 1.004 1.00 0.00 H new ATOM 0 HD21 LEU A 62 56.990 4.998 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.377 4.099 1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.932 4.366 2.567 1.00 0.00 H new ATOM 122 N GLU A 63 59.495 4.371 5.905 1.00 0.00 N ATOM 123 CA GLU A 63 59.838 3.283 6.819 1.00 0.00 C ATOM 124 C GLU A 63 61.182 2.659 6.449 1.00 0.00 C ATOM 125 O GLU A 63 62.203 2.952 7.071 1.00 0.00 O ATOM 126 CB GLU A 63 58.765 2.213 6.802 1.00 0.00 C ATOM 127 CG GLU A 63 57.985 2.264 8.113 1.00 0.00 C ATOM 128 CD GLU A 63 57.542 0.861 8.517 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.201 0.091 7.634 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.550 0.578 9.704 1.00 0.00 O ATOM 0 H GLU A 63 60.284 4.694 5.345 1.00 0.00 H new ATOM 0 HA GLU A 63 59.910 3.705 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.092 2.369 5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.217 1.230 6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.606 2.697 8.897 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.114 2.910 8.002 1.00 0.00 H new ATOM 137 N HIS A 64 61.175 1.792 5.442 1.00 0.00 N ATOM 138 CA HIS A 64 62.393 1.130 5.008 1.00 0.00 C ATOM 139 C HIS A 64 62.850 1.683 3.667 1.00 0.00 C ATOM 140 O HIS A 64 62.111 2.387 2.982 1.00 0.00 O ATOM 141 CB HIS A 64 62.155 -0.375 4.888 1.00 0.00 C ATOM 142 CG HIS A 64 60.930 -0.631 4.070 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.684 -0.726 4.656 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.734 -0.827 2.726 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.799 -0.972 3.685 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.381 -1.044 2.484 1.00 0.00 N ATOM 0 H HIS A 64 60.341 1.534 4.915 1.00 0.00 H new ATOM 0 HA HIS A 64 63.170 1.315 5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.019 -0.853 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.040 -0.814 5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.509 -0.815 1.974 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.739 -1.098 3.851 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.931 -1.220 1.586 1.00 0.00 H new ATOM 154 N CYS A 65 64.076 1.354 3.306 1.00 0.00 N ATOM 155 CA CYS A 65 64.656 1.805 2.054 1.00 0.00 C ATOM 156 C CYS A 65 64.125 0.999 0.876 1.00 0.00 C ATOM 157 O CYS A 65 64.025 -0.213 0.950 1.00 0.00 O ATOM 158 CB CYS A 65 66.165 1.670 2.135 1.00 0.00 C ATOM 159 SG CYS A 65 66.872 1.880 0.487 1.00 0.00 S ATOM 0 H CYS A 65 64.695 0.770 3.868 1.00 0.00 H new ATOM 0 HA CYS A 65 64.380 2.847 1.894 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.572 2.417 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.433 0.693 2.537 1.00 0.00 H new ATOM 164 N GLY A 66 63.777 1.683 -0.204 1.00 0.00 N ATOM 165 CA GLY A 66 63.247 1.016 -1.393 1.00 0.00 C ATOM 166 C GLY A 66 64.275 0.098 -2.067 1.00 0.00 C ATOM 167 O GLY A 66 63.923 -0.956 -2.595 1.00 0.00 O ATOM 0 H GLY A 66 63.850 2.697 -0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.371 0.430 -1.115 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.914 1.768 -2.108 1.00 0.00 H new ATOM 171 N VAL A 67 65.530 0.536 -2.091 1.00 0.00 N ATOM 172 CA VAL A 67 66.598 -0.213 -2.758 1.00 0.00 C ATOM 173 C VAL A 67 66.833 -1.607 -2.162 1.00 0.00 C ATOM 174 O VAL A 67 67.047 -2.571 -2.897 1.00 0.00 O ATOM 175 CB VAL A 67 67.888 0.587 -2.658 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.054 -0.242 -3.194 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.760 1.887 -3.459 1.00 0.00 C ATOM 0 H VAL A 67 65.836 1.407 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 67 66.288 -0.359 -3.793 1.00 0.00 H new ATOM 0 HB VAL A 67 68.075 0.832 -1.613 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.975 0.336 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.151 -1.156 -2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.869 -0.498 -4.237 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.688 2.454 -3.383 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.564 1.652 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.938 2.481 -3.060 1.00 0.00 H new ATOM 187 N CYS A 68 66.825 -1.708 -0.837 1.00 0.00 N ATOM 188 CA CYS A 68 67.071 -2.989 -0.173 1.00 0.00 C ATOM 189 C CYS A 68 65.803 -3.518 0.483 1.00 0.00 C ATOM 190 O CYS A 68 65.706 -4.701 0.810 1.00 0.00 O ATOM 191 CB CYS A 68 68.172 -2.822 0.881 1.00 0.00 C ATOM 192 SG CYS A 68 67.652 -1.602 2.117 1.00 0.00 S ATOM 0 H CYS A 68 66.653 -0.927 -0.204 1.00 0.00 H new ATOM 0 HA CYS A 68 67.391 -3.710 -0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.376 -3.778 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.099 -2.500 0.406 1.00 0.00 H new ATOM 197 N ARG A 69 64.827 -2.642 0.650 1.00 0.00 N ATOM 198 CA ARG A 69 63.555 -3.022 1.245 1.00 0.00 C ATOM 199 C ARG A 69 63.753 -3.477 2.684 1.00 0.00 C ATOM 200 O ARG A 69 62.989 -4.290 3.205 1.00 0.00 O ATOM 201 CB ARG A 69 62.910 -4.131 0.416 1.00 0.00 C ATOM 202 CG ARG A 69 63.083 -3.822 -1.084 1.00 0.00 C ATOM 203 CD ARG A 69 64.107 -4.774 -1.710 1.00 0.00 C ATOM 204 NE ARG A 69 63.656 -5.204 -3.030 1.00 0.00 N ATOM 205 CZ ARG A 69 64.421 -5.955 -3.823 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.614 -6.335 -3.440 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.976 -6.315 -4.995 1.00 0.00 N ATOM 0 H ARG A 69 64.890 -1.660 0.381 1.00 0.00 H new ATOM 0 HA ARG A 69 62.894 -2.155 1.252 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.368 -5.091 0.655 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.851 -4.213 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.125 -3.921 -1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.409 -2.790 -1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.074 -4.277 -1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.249 -5.642 -1.066 1.00 0.00 H new ATOM 0 HE ARG A 69 62.731 -4.922 -3.354 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.969 -6.057 -2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 69 66.189 -6.909 -4.057 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.048 -6.022 -5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.556 -6.889 -5.606 1.00 0.00 H new ATOM 221 N GLU A 70 64.783 -2.930 3.321 1.00 0.00 N ATOM 222 CA GLU A 70 65.089 -3.260 4.703 1.00 0.00 C ATOM 223 C GLU A 70 64.923 -2.032 5.576 1.00 0.00 C ATOM 224 O GLU A 70 65.186 -0.908 5.152 1.00 0.00 O ATOM 225 CB GLU A 70 66.523 -3.779 4.807 1.00 0.00 C ATOM 226 CG GLU A 70 66.740 -4.847 3.739 1.00 0.00 C ATOM 227 CD GLU A 70 68.015 -5.632 4.027 1.00 0.00 C ATOM 228 OE1 GLU A 70 68.957 -5.033 4.520 1.00 0.00 O ATOM 229 OE2 GLU A 70 68.033 -6.820 3.748 1.00 0.00 O ATOM 0 H GLU A 70 65.420 -2.255 2.898 1.00 0.00 H new ATOM 0 HA GLU A 70 64.402 -4.035 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.231 -2.961 4.672 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.702 -4.195 5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 70 65.886 -5.524 3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 70 66.806 -4.380 2.756 1.00 0.00 H new ATOM 236 N ARG A 71 64.468 -2.261 6.795 1.00 0.00 N ATOM 237 CA ARG A 71 64.246 -1.175 7.730 1.00 0.00 C ATOM 238 C ARG A 71 65.493 -0.320 7.855 1.00 0.00 C ATOM 239 O ARG A 71 66.613 -0.803 7.691 1.00 0.00 O ATOM 240 CB ARG A 71 63.857 -1.750 9.085 1.00 0.00 C ATOM 241 CG ARG A 71 62.960 -0.757 9.824 1.00 0.00 C ATOM 242 CD ARG A 71 61.526 -0.898 9.312 1.00 0.00 C ATOM 243 NE ARG A 71 60.643 0.025 10.015 1.00 0.00 N ATOM 244 CZ ARG A 71 60.158 -0.250 11.226 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.470 -1.365 11.839 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.362 0.605 11.806 1.00 0.00 N ATOM 0 H ARG A 71 64.246 -3.188 7.159 1.00 0.00 H new ATOM 0 HA ARG A 71 63.438 -0.543 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.336 -2.698 8.953 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.751 -1.957 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 71 62.996 -0.945 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.317 0.261 9.666 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.494 -0.698 8.241 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.181 -1.922 9.455 1.00 0.00 H new ATOM 0 HE ARG A 71 60.389 0.906 9.568 1.00 0.00 H new ATOM 0 HH11 ARG A 71 61.092 -2.037 11.390 1.00 0.00 H new ATOM 0 HH12 ARG A 71 60.091 -1.561 12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.116 1.475 11.333 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.986 0.404 12.732 1.00 0.00 H new ATOM 260 N LEU A 72 65.288 0.960 8.119 1.00 0.00 N ATOM 261 CA LEU A 72 66.396 1.884 8.233 1.00 0.00 C ATOM 262 C LEU A 72 67.118 1.702 9.562 1.00 0.00 C ATOM 263 O LEU A 72 66.647 2.145 10.609 1.00 0.00 O ATOM 264 CB LEU A 72 65.865 3.308 8.097 1.00 0.00 C ATOM 265 CG LEU A 72 65.273 3.488 6.696 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.530 4.823 6.626 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.400 3.470 5.650 1.00 0.00 C ATOM 0 H LEU A 72 64.368 1.378 8.257 1.00 0.00 H new ATOM 0 HA LEU A 72 67.117 1.687 7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.105 3.500 8.854 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.668 4.027 8.262 1.00 0.00 H new ATOM 0 HG LEU A 72 64.579 2.673 6.489 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.108 4.953 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.728 4.832 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.224 5.637 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.975 3.598 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.098 4.282 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.927 2.517 5.699 1.00 0.00 H new ATOM 279 N ARG A 73 68.273 1.044 9.499 1.00 0.00 N ATOM 280 CA ARG A 73 69.082 0.798 10.685 1.00 0.00 C ATOM 281 C ARG A 73 69.721 2.091 11.168 1.00 0.00 C ATOM 282 O ARG A 73 69.874 3.035 10.394 1.00 0.00 O ATOM 283 CB ARG A 73 70.173 -0.223 10.382 1.00 0.00 C ATOM 284 CG ARG A 73 69.530 -1.589 10.217 1.00 0.00 C ATOM 285 CD ARG A 73 70.570 -2.592 9.738 1.00 0.00 C ATOM 286 NE ARG A 73 71.557 -2.839 10.786 1.00 0.00 N ATOM 287 CZ ARG A 73 72.601 -3.647 10.589 1.00 0.00 C ATOM 288 NH1 ARG A 73 72.772 -4.251 9.440 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.461 -3.842 11.552 1.00 0.00 N ATOM 0 H ARG A 73 68.669 0.672 8.636 1.00 0.00 H new ATOM 0 HA ARG A 73 68.430 0.406 11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.709 0.055 9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 73 70.905 -0.245 11.190 1.00 0.00 H new ATOM 0 HG2 ARG A 73 69.104 -1.918 11.165 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.710 -1.531 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 73 70.083 -3.527 9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 73 71.066 -2.213 8.844 1.00 0.00 H new ATOM 0 HE ARG A 73 71.446 -2.382 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 73 72.103 -4.106 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 73 73.574 -4.866 9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.334 -3.378 12.451 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.260 -4.459 11.405 1.00 0.00 H new ATOM 303 N PRO A 74 70.098 2.165 12.416 1.00 0.00 N ATOM 304 CA PRO A 74 70.731 3.393 12.968 1.00 0.00 C ATOM 305 C PRO A 74 72.001 3.738 12.201 1.00 0.00 C ATOM 306 O PRO A 74 72.304 4.906 11.956 1.00 0.00 O ATOM 307 CB PRO A 74 71.042 3.028 14.420 1.00 0.00 C ATOM 308 CG PRO A 74 70.150 1.877 14.737 1.00 0.00 C ATOM 309 CD PRO A 74 69.982 1.107 13.436 1.00 0.00 C ATOM 0 HA PRO A 74 70.090 4.271 12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.091 2.758 14.541 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.851 3.869 15.086 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.587 1.246 15.510 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.187 2.222 15.114 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.750 0.343 13.316 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.018 0.601 13.387 1.00 0.00 H new ATOM 317 N GLU A 75 72.728 2.696 11.812 1.00 0.00 N ATOM 318 CA GLU A 75 73.963 2.868 11.049 1.00 0.00 C ATOM 319 C GLU A 75 73.683 2.914 9.546 1.00 0.00 C ATOM 320 O GLU A 75 74.607 3.029 8.741 1.00 0.00 O ATOM 321 CB GLU A 75 74.957 1.744 11.344 1.00 0.00 C ATOM 322 CG GLU A 75 74.233 0.403 11.368 1.00 0.00 C ATOM 323 CD GLU A 75 75.225 -0.731 11.134 1.00 0.00 C ATOM 324 OE1 GLU A 75 75.773 -0.798 10.046 1.00 0.00 O ATOM 325 OE2 GLU A 75 75.428 -1.513 12.049 1.00 0.00 O ATOM 0 H GLU A 75 72.486 1.725 12.011 1.00 0.00 H new ATOM 0 HA GLU A 75 74.399 3.818 11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.740 1.731 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.445 1.921 12.303 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.733 0.268 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.460 0.384 10.600 1.00 0.00 H new ATOM 332 N ARG A 76 72.410 2.810 9.176 1.00 0.00 N ATOM 333 CA ARG A 76 72.025 2.828 7.771 1.00 0.00 C ATOM 334 C ARG A 76 72.282 4.188 7.145 1.00 0.00 C ATOM 335 O ARG A 76 72.419 4.312 5.922 1.00 0.00 O ATOM 336 CB ARG A 76 70.534 2.538 7.660 1.00 0.00 C ATOM 337 CG ARG A 76 70.193 2.122 6.231 1.00 0.00 C ATOM 338 CD ARG A 76 70.757 0.727 5.959 1.00 0.00 C ATOM 339 NE ARG A 76 72.022 0.822 5.231 1.00 0.00 N ATOM 340 CZ ARG A 76 72.701 -0.263 4.848 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.244 -1.463 5.098 1.00 0.00 N ATOM 342 NH2 ARG A 76 73.840 -0.125 4.222 1.00 0.00 N ATOM 0 H ARG A 76 71.631 2.713 9.828 1.00 0.00 H new ATOM 0 HA ARG A 76 72.618 2.076 7.250 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.255 1.746 8.355 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.961 3.422 7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.112 2.123 6.088 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.609 2.839 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 76 70.911 0.200 6.901 1.00 0.00 H new ATOM 0 HD3 ARG A 76 70.040 0.144 5.381 1.00 0.00 H new ATOM 0 HE ARG A 76 72.397 1.744 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 76 71.359 -1.579 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.773 -2.283 4.800 1.00 0.00 H new ATOM 0 HH21 ARG A 76 74.206 0.807 4.028 1.00 0.00 H new ATOM 0 HH22 ARG A 76 74.363 -0.950 3.927 1.00 0.00 H new ATOM 356 N GLU A 77 72.298 5.213 7.982 1.00 0.00 N ATOM 357 CA GLU A 77 72.481 6.557 7.504 1.00 0.00 C ATOM 358 C GLU A 77 71.458 6.852 6.427 1.00 0.00 C ATOM 359 O GLU A 77 71.798 7.023 5.260 1.00 0.00 O ATOM 360 CB GLU A 77 73.896 6.736 6.962 1.00 0.00 C ATOM 361 CG GLU A 77 74.138 8.210 6.636 1.00 0.00 C ATOM 362 CD GLU A 77 75.576 8.412 6.175 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.321 7.447 6.188 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.911 9.530 5.817 1.00 0.00 O ATOM 0 H GLU A 77 72.186 5.131 8.993 1.00 0.00 H new ATOM 0 HA GLU A 77 72.341 7.256 8.328 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.624 6.391 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.033 6.128 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.449 8.537 5.858 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.940 8.823 7.515 1.00 0.00 H new ATOM 371 N PRO A 78 70.211 6.890 6.800 1.00 0.00 N ATOM 372 CA PRO A 78 69.100 7.151 5.846 1.00 0.00 C ATOM 373 C PRO A 78 69.215 8.522 5.204 1.00 0.00 C ATOM 374 O PRO A 78 69.682 9.480 5.823 1.00 0.00 O ATOM 375 CB PRO A 78 67.836 7.041 6.706 1.00 0.00 C ATOM 376 CG PRO A 78 68.260 6.317 7.936 1.00 0.00 C ATOM 377 CD PRO A 78 69.710 6.697 8.169 1.00 0.00 C ATOM 0 HA PRO A 78 69.102 6.449 5.012 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.437 8.026 6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.049 6.499 6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.641 6.600 8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 78 68.155 5.239 7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.801 7.604 8.766 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.256 5.913 8.694 1.00 0.00 H new ATOM 385 N ARG A 79 68.791 8.596 3.959 1.00 0.00 N ATOM 386 CA ARG A 79 68.845 9.835 3.208 1.00 0.00 C ATOM 387 C ARG A 79 67.589 10.041 2.382 1.00 0.00 C ATOM 388 O ARG A 79 67.044 9.096 1.835 1.00 0.00 O ATOM 389 CB ARG A 79 70.047 9.820 2.290 1.00 0.00 C ATOM 390 CG ARG A 79 71.304 10.197 3.078 1.00 0.00 C ATOM 391 CD ARG A 79 72.531 10.069 2.176 1.00 0.00 C ATOM 392 NE ARG A 79 73.723 10.555 2.865 1.00 0.00 N ATOM 393 CZ ARG A 79 74.943 10.405 2.344 1.00 0.00 C ATOM 394 NH1 ARG A 79 75.112 9.805 1.193 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.983 10.860 2.990 1.00 0.00 N ATOM 0 H ARG A 79 68.402 7.807 3.442 1.00 0.00 H new ATOM 0 HA ARG A 79 68.924 10.656 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.166 8.831 1.848 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.898 10.520 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 79 71.219 11.218 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.409 9.547 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.670 9.027 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.377 10.637 1.259 1.00 0.00 H new ATOM 0 HE ARG A 79 73.621 11.021 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.306 9.445 0.682 1.00 0.00 H new ATOM 0 HH12 ARG A 79 76.050 9.697 0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.861 11.327 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 79 76.917 10.748 2.596 1.00 0.00 H new ATOM 409 N LEU A 80 67.145 11.286 2.292 1.00 0.00 N ATOM 410 CA LEU A 80 65.941 11.608 1.534 1.00 0.00 C ATOM 411 C LEU A 80 66.287 12.160 0.148 1.00 0.00 C ATOM 412 O LEU A 80 67.046 13.121 0.021 1.00 0.00 O ATOM 413 CB LEU A 80 65.122 12.638 2.313 1.00 0.00 C ATOM 414 CG LEU A 80 63.847 12.982 1.555 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.954 11.751 1.501 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.122 14.118 2.278 1.00 0.00 C ATOM 0 H LEU A 80 67.597 12.088 2.732 1.00 0.00 H new ATOM 0 HA LEU A 80 65.362 10.695 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.872 12.244 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.714 13.540 2.471 1.00 0.00 H new ATOM 0 HG LEU A 80 64.089 13.299 0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 80 62.038 11.989 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.478 10.943 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.705 11.437 2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.208 14.368 1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.871 13.803 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.769 14.994 2.320 1.00 0.00 H new ATOM 428 N LEU A 81 65.710 11.545 -0.885 1.00 0.00 N ATOM 429 CA LEU A 81 65.941 11.973 -2.261 1.00 0.00 C ATOM 430 C LEU A 81 65.020 13.138 -2.632 1.00 0.00 C ATOM 431 O LEU A 81 64.036 13.411 -1.947 1.00 0.00 O ATOM 432 CB LEU A 81 65.661 10.814 -3.219 1.00 0.00 C ATOM 433 CG LEU A 81 66.956 10.316 -3.862 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.922 9.828 -2.778 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.625 9.156 -4.809 1.00 0.00 C ATOM 0 H LEU A 81 65.079 10.749 -0.793 1.00 0.00 H new ATOM 0 HA LEU A 81 66.980 12.292 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.181 9.998 -2.679 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.966 11.137 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 81 67.425 11.129 -4.416 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.842 9.475 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 81 68.151 10.649 -2.098 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.461 9.013 -2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.542 8.793 -5.274 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.159 8.348 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.939 9.502 -5.582 1.00 0.00 H new ATOM 447 N PRO A 82 65.315 13.803 -3.718 1.00 0.00 N ATOM 448 CA PRO A 82 64.497 14.948 -4.225 1.00 0.00 C ATOM 449 C PRO A 82 63.091 14.521 -4.647 1.00 0.00 C ATOM 450 O PRO A 82 62.210 15.360 -4.836 1.00 0.00 O ATOM 451 CB PRO A 82 65.278 15.464 -5.440 1.00 0.00 C ATOM 452 CG PRO A 82 66.626 14.827 -5.378 1.00 0.00 C ATOM 453 CD PRO A 82 66.468 13.538 -4.584 1.00 0.00 C ATOM 0 HA PRO A 82 64.352 15.701 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.768 15.204 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.361 16.551 -5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 82 67.002 14.620 -6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.345 15.491 -4.898 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.290 12.684 -5.238 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.362 13.313 -4.003 1.00 0.00 H new ATOM 461 N CYS A 83 62.888 13.218 -4.794 1.00 0.00 N ATOM 462 CA CYS A 83 61.591 12.690 -5.192 1.00 0.00 C ATOM 463 C CYS A 83 60.757 12.353 -3.962 1.00 0.00 C ATOM 464 O CYS A 83 59.631 11.870 -4.082 1.00 0.00 O ATOM 465 CB CYS A 83 61.784 11.441 -6.051 1.00 0.00 C ATOM 466 SG CYS A 83 62.722 10.210 -5.115 1.00 0.00 S ATOM 0 H CYS A 83 63.605 12.508 -4.644 1.00 0.00 H new ATOM 0 HA CYS A 83 61.064 13.447 -5.773 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.816 11.033 -6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.312 11.696 -6.970 1.00 0.00 H new ATOM 471 N LEU A 84 61.331 12.612 -2.785 1.00 0.00 N ATOM 472 CA LEU A 84 60.672 12.350 -1.521 1.00 0.00 C ATOM 473 C LEU A 84 60.689 10.870 -1.195 1.00 0.00 C ATOM 474 O LEU A 84 59.684 10.293 -0.784 1.00 0.00 O ATOM 475 CB LEU A 84 59.231 12.876 -1.526 1.00 0.00 C ATOM 476 CG LEU A 84 58.893 13.479 -0.161 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.496 14.100 -0.211 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.923 12.377 0.902 1.00 0.00 C ATOM 0 H LEU A 84 62.266 13.009 -2.690 1.00 0.00 H new ATOM 0 HA LEU A 84 61.227 12.881 -0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 84 59.112 13.629 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.539 12.066 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 84 59.624 14.248 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 84 57.254 14.530 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.472 14.882 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.765 13.331 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.683 12.804 1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 84 58.191 11.610 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.917 11.932 0.937 1.00 0.00 H new ATOM 490 N HIS A 85 61.849 10.270 -1.354 1.00 0.00 N ATOM 491 CA HIS A 85 62.011 8.866 -1.045 1.00 0.00 C ATOM 492 C HIS A 85 63.237 8.678 -0.182 1.00 0.00 C ATOM 493 O HIS A 85 64.353 9.007 -0.585 1.00 0.00 O ATOM 494 CB HIS A 85 62.157 8.057 -2.323 1.00 0.00 C ATOM 495 CG HIS A 85 60.870 8.103 -3.098 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.831 7.968 -4.474 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.565 8.253 -2.702 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.543 8.038 -4.854 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.730 8.213 -3.812 1.00 0.00 N ATOM 0 H HIS A 85 62.692 10.732 -1.695 1.00 0.00 H new ATOM 0 HA HIS A 85 61.128 8.518 -0.509 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.972 8.456 -2.927 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.413 7.025 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.236 8.383 -1.681 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.208 7.962 -5.878 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.714 8.299 -3.826 1.00 0.00 H new ATOM 507 N SER A 86 63.026 8.156 1.004 1.00 0.00 N ATOM 508 CA SER A 86 64.130 7.938 1.920 1.00 0.00 C ATOM 509 C SER A 86 64.763 6.579 1.658 1.00 0.00 C ATOM 510 O SER A 86 64.069 5.571 1.535 1.00 0.00 O ATOM 511 CB SER A 86 63.647 7.993 3.362 1.00 0.00 C ATOM 512 OG SER A 86 62.684 9.030 3.499 1.00 0.00 O ATOM 0 H SER A 86 62.111 7.876 1.358 1.00 0.00 H new ATOM 0 HA SER A 86 64.867 8.725 1.760 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.210 7.036 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.488 8.172 4.032 1.00 0.00 H new ATOM 0 HG SER A 86 62.489 9.172 4.449 1.00 0.00 H new ATOM 518 N ALA A 87 66.086 6.560 1.573 1.00 0.00 N ATOM 519 CA ALA A 87 66.805 5.316 1.323 1.00 0.00 C ATOM 520 C ALA A 87 68.157 5.333 2.027 1.00 0.00 C ATOM 521 O ALA A 87 68.644 6.384 2.424 1.00 0.00 O ATOM 522 CB ALA A 87 66.998 5.109 -0.183 1.00 0.00 C ATOM 0 H ALA A 87 66.680 7.383 1.672 1.00 0.00 H new ATOM 0 HA ALA A 87 66.215 4.489 1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.536 4.177 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.025 5.062 -0.672 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.571 5.940 -0.594 1.00 0.00 H new ATOM 528 N CYS A 88 68.749 4.158 2.189 1.00 0.00 N ATOM 529 CA CYS A 88 70.039 4.039 2.864 1.00 0.00 C ATOM 530 C CYS A 88 71.097 4.857 2.130 1.00 0.00 C ATOM 531 O CYS A 88 71.043 4.982 0.911 1.00 0.00 O ATOM 532 CB CYS A 88 70.483 2.576 2.874 1.00 0.00 C ATOM 533 SG CYS A 88 69.099 1.501 3.319 1.00 0.00 S ATOM 0 H CYS A 88 68.359 3.273 1.864 1.00 0.00 H new ATOM 0 HA CYS A 88 69.929 4.408 3.884 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.866 2.299 1.892 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.299 2.442 3.584 1.00 0.00 H new ATOM 538 N SER A 89 72.068 5.408 2.859 1.00 0.00 N ATOM 539 CA SER A 89 73.112 6.194 2.205 1.00 0.00 C ATOM 540 C SER A 89 73.873 5.335 1.205 1.00 0.00 C ATOM 541 O SER A 89 74.143 5.753 0.078 1.00 0.00 O ATOM 542 CB SER A 89 74.092 6.753 3.239 1.00 0.00 C ATOM 543 OG SER A 89 75.110 7.485 2.569 1.00 0.00 O ATOM 0 H SER A 89 72.153 5.329 3.872 1.00 0.00 H new ATOM 0 HA SER A 89 72.634 7.022 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.567 7.398 3.944 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.532 5.941 3.817 1.00 0.00 H new ATOM 0 HG SER A 89 75.740 7.847 3.227 1.00 0.00 H new ATOM 549 N ALA A 90 74.202 4.129 1.629 1.00 0.00 N ATOM 550 CA ALA A 90 74.923 3.189 0.781 1.00 0.00 C ATOM 551 C ALA A 90 74.086 2.848 -0.442 1.00 0.00 C ATOM 552 O ALA A 90 74.602 2.760 -1.553 1.00 0.00 O ATOM 553 CB ALA A 90 75.241 1.913 1.563 1.00 0.00 C ATOM 0 H ALA A 90 73.982 3.773 2.559 1.00 0.00 H new ATOM 0 HA ALA A 90 75.857 3.650 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.780 1.217 0.920 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.857 2.160 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.313 1.452 1.899 1.00 0.00 H new ATOM 559 N CYS A 91 72.784 2.672 -0.223 1.00 0.00 N ATOM 560 CA CYS A 91 71.865 2.363 -1.305 1.00 0.00 C ATOM 561 C CYS A 91 71.740 3.558 -2.242 1.00 0.00 C ATOM 562 O CYS A 91 71.561 3.408 -3.452 1.00 0.00 O ATOM 563 CB CYS A 91 70.491 1.992 -0.746 1.00 0.00 C ATOM 564 SG CYS A 91 70.592 0.377 0.066 1.00 0.00 S ATOM 0 H CYS A 91 72.346 2.739 0.696 1.00 0.00 H new ATOM 0 HA CYS A 91 72.257 1.513 -1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.158 2.749 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.755 1.963 -1.549 1.00 0.00 H new ATOM 569 N LEU A 92 71.821 4.743 -1.654 1.00 0.00 N ATOM 570 CA LEU A 92 71.704 5.989 -2.393 1.00 0.00 C ATOM 571 C LEU A 92 72.837 6.169 -3.402 1.00 0.00 C ATOM 572 O LEU A 92 72.626 6.701 -4.492 1.00 0.00 O ATOM 573 CB LEU A 92 71.729 7.137 -1.387 1.00 0.00 C ATOM 574 CG LEU A 92 70.344 7.777 -1.295 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.505 7.028 -0.264 1.00 0.00 C ATOM 576 CD2 LEU A 92 70.487 9.230 -0.863 1.00 0.00 C ATOM 0 H LEU A 92 71.970 4.866 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 92 70.771 5.975 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.035 6.768 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.464 7.882 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 92 69.857 7.729 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.517 7.484 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.404 5.985 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.994 7.079 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 92 69.500 9.689 -0.797 1.00 0.00 H new ATOM 0 HD22 LEU A 92 70.974 9.274 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.089 9.769 -1.594 1.00 0.00 H new ATOM 588 N GLY A 93 74.034 5.740 -3.033 1.00 0.00 N ATOM 589 CA GLY A 93 75.193 5.874 -3.915 1.00 0.00 C ATOM 590 C GLY A 93 74.917 5.335 -5.328 1.00 0.00 C ATOM 591 O GLY A 93 74.998 6.086 -6.302 1.00 0.00 O ATOM 0 H GLY A 93 74.232 5.298 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.479 6.924 -3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.039 5.339 -3.483 1.00 0.00 H new ATOM 595 N PRO A 94 74.586 4.070 -5.468 1.00 0.00 N ATOM 596 CA PRO A 94 74.293 3.460 -6.803 1.00 0.00 C ATOM 597 C PRO A 94 73.062 4.078 -7.460 1.00 0.00 C ATOM 598 O PRO A 94 72.850 3.934 -8.663 1.00 0.00 O ATOM 599 CB PRO A 94 74.077 1.973 -6.498 1.00 0.00 C ATOM 600 CG PRO A 94 73.737 1.911 -5.048 1.00 0.00 C ATOM 601 CD PRO A 94 74.460 3.079 -4.387 1.00 0.00 C ATOM 0 HA PRO A 94 75.102 3.629 -7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.274 1.560 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.974 1.393 -6.716 1.00 0.00 H new ATOM 0 HG2 PRO A 94 72.660 1.986 -4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 94 74.054 0.962 -4.615 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.893 3.476 -3.545 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.435 2.780 -4.002 1.00 0.00 H new ATOM 609 N ALA A 95 72.260 4.776 -6.663 1.00 0.00 N ATOM 610 CA ALA A 95 71.064 5.422 -7.178 1.00 0.00 C ATOM 611 C ALA A 95 71.442 6.442 -8.254 1.00 0.00 C ATOM 612 O ALA A 95 70.736 6.593 -9.252 1.00 0.00 O ATOM 613 CB ALA A 95 70.303 6.106 -6.032 1.00 0.00 C ATOM 0 H ALA A 95 72.417 4.907 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 95 70.416 4.669 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.408 6.588 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.017 5.361 -5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.943 6.855 -5.566 1.00 0.00 H new ATOM 619 N ALA A 96 72.561 7.138 -8.050 1.00 0.00 N ATOM 620 CA ALA A 96 73.015 8.133 -9.022 1.00 0.00 C ATOM 621 C ALA A 96 73.804 7.458 -10.161 1.00 0.00 C ATOM 622 O ALA A 96 74.763 6.735 -9.894 1.00 0.00 O ATOM 623 CB ALA A 96 73.911 9.171 -8.336 1.00 0.00 C ATOM 0 H ALA A 96 73.162 7.034 -7.233 1.00 0.00 H new ATOM 0 HA ALA A 96 72.137 8.626 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.243 9.906 -9.069 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.349 9.672 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.779 8.673 -7.903 1.00 0.00 H new ATOM 629 N PRO A 97 73.446 7.669 -11.417 1.00 0.00 N ATOM 630 CA PRO A 97 74.180 7.046 -12.569 1.00 0.00 C ATOM 631 C PRO A 97 75.666 7.405 -12.576 1.00 0.00 C ATOM 632 O PRO A 97 76.046 8.522 -12.224 1.00 0.00 O ATOM 633 CB PRO A 97 73.495 7.637 -13.805 1.00 0.00 C ATOM 634 CG PRO A 97 72.143 8.046 -13.341 1.00 0.00 C ATOM 635 CD PRO A 97 72.319 8.496 -11.894 1.00 0.00 C ATOM 0 HA PRO A 97 74.142 5.958 -12.523 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.052 8.489 -14.195 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.431 6.903 -14.609 1.00 0.00 H new ATOM 0 HG2 PRO A 97 71.746 8.854 -13.956 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.439 7.217 -13.410 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.545 9.560 -11.828 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.417 8.324 -11.307 1.00 0.00 H new ATOM 643 N ALA A 98 76.499 6.453 -12.986 1.00 0.00 N ATOM 644 CA ALA A 98 77.939 6.684 -13.045 1.00 0.00 C ATOM 645 C ALA A 98 78.568 5.887 -14.187 1.00 0.00 C ATOM 646 O ALA A 98 78.217 4.729 -14.415 1.00 0.00 O ATOM 647 CB ALA A 98 78.585 6.273 -11.722 1.00 0.00 C ATOM 0 H ALA A 98 76.205 5.522 -13.280 1.00 0.00 H new ATOM 0 HA ALA A 98 78.109 7.746 -13.222 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.660 6.448 -11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.159 6.863 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.398 5.215 -11.539 1.00 0.00 H new ATOM 653 N ALA A 99 79.506 6.512 -14.895 1.00 0.00 N ATOM 654 CA ALA A 99 80.184 5.847 -16.004 1.00 0.00 C ATOM 655 C ALA A 99 81.515 6.532 -16.308 1.00 0.00 C ATOM 656 O ALA A 99 81.613 7.758 -16.278 1.00 0.00 O ATOM 657 CB ALA A 99 79.297 5.880 -17.250 1.00 0.00 C ATOM 0 H ALA A 99 79.812 7.470 -14.722 1.00 0.00 H new ATOM 0 HA ALA A 99 80.377 4.812 -15.720 1.00 0.00 H new ATOM 0 HB1 ALA A 99 79.808 5.382 -18.074 1.00 0.00 H new ATOM 0 HB2 ALA A 99 78.358 5.366 -17.042 1.00 0.00 H new ATOM 0 HB3 ALA A 99 79.091 6.915 -17.523 1.00 0.00 H new ATOM 663 N ALA A 100 82.535 5.731 -16.604 1.00 0.00 N ATOM 664 CA ALA A 100 83.853 6.274 -16.915 1.00 0.00 C ATOM 665 C ALA A 100 83.802 7.130 -18.177 1.00 0.00 C ATOM 666 O ALA A 100 84.425 8.189 -18.247 1.00 0.00 O ATOM 667 CB ALA A 100 84.853 5.134 -17.110 1.00 0.00 C ATOM 0 H ALA A 100 82.475 4.713 -16.635 1.00 0.00 H new ATOM 0 HA ALA A 100 84.171 6.900 -16.081 1.00 0.00 H new ATOM 0 HB1 ALA A 100 85.835 5.547 -17.342 1.00 0.00 H new ATOM 0 HB2 ALA A 100 84.914 4.544 -16.196 1.00 0.00 H new ATOM 0 HB3 ALA A 100 84.524 4.498 -17.931 1.00 0.00 H new ATOM 673 N ASN A 101 83.057 6.661 -19.174 1.00 0.00 N ATOM 674 CA ASN A 101 82.933 7.387 -20.433 1.00 0.00 C ATOM 675 C ASN A 101 81.525 7.242 -20.999 1.00 0.00 C ATOM 676 O ASN A 101 81.134 6.165 -21.449 1.00 0.00 O ATOM 677 CB ASN A 101 83.950 6.851 -21.444 1.00 0.00 C ATOM 678 CG ASN A 101 84.010 7.766 -22.662 1.00 0.00 C ATOM 679 OD1 ASN A 101 83.835 8.979 -22.538 1.00 0.00 O ATOM 680 ND2 ASN A 101 84.250 7.256 -23.839 1.00 0.00 N ATOM 0 H ASN A 101 82.533 5.787 -19.135 1.00 0.00 H new ATOM 0 HA ASN A 101 83.128 8.443 -20.244 1.00 0.00 H new ATOM 0 HB2 ASN A 101 84.934 6.784 -20.981 1.00 0.00 H new ATOM 0 HB3 ASN A 101 83.673 5.842 -21.750 1.00 0.00 H new ATOM 0 HD21 ASN A 101 84.293 7.862 -24.658 1.00 0.00 H new ATOM 0 HD22 ASN A 101 84.395 6.251 -23.940 1.00 0.00 H new ATOM 687 N SER A 102 80.766 8.333 -20.976 1.00 0.00 N ATOM 688 CA SER A 102 79.402 8.311 -21.492 1.00 0.00 C ATOM 689 C SER A 102 79.395 8.553 -22.997 1.00 0.00 C ATOM 690 O SER A 102 79.945 9.543 -23.479 1.00 0.00 O ATOM 691 CB SER A 102 78.565 9.386 -20.797 1.00 0.00 C ATOM 692 OG SER A 102 77.273 9.431 -21.389 1.00 0.00 O ATOM 0 H SER A 102 81.069 9.235 -20.609 1.00 0.00 H new ATOM 0 HA SER A 102 78.973 7.329 -21.291 1.00 0.00 H new ATOM 0 HB2 SER A 102 78.482 9.167 -19.732 1.00 0.00 H new ATOM 0 HB3 SER A 102 79.052 10.357 -20.886 1.00 0.00 H new ATOM 0 HG SER A 102 76.733 10.118 -20.945 1.00 0.00 H new ATOM 698 N SER A 103 78.767 7.644 -23.736 1.00 0.00 N ATOM 699 CA SER A 103 78.695 7.771 -25.187 1.00 0.00 C ATOM 700 C SER A 103 77.916 9.024 -25.575 1.00 0.00 C ATOM 701 O SER A 103 78.129 9.592 -26.647 1.00 0.00 O ATOM 702 CB SER A 103 78.015 6.540 -25.787 1.00 0.00 C ATOM 703 OG SER A 103 76.671 6.475 -25.328 1.00 0.00 O ATOM 0 H SER A 103 78.304 6.818 -23.358 1.00 0.00 H new ATOM 0 HA SER A 103 79.710 7.850 -25.577 1.00 0.00 H new ATOM 0 HB2 SER A 103 78.037 6.592 -26.876 1.00 0.00 H new ATOM 0 HB3 SER A 103 78.553 5.637 -25.500 1.00 0.00 H new ATOM 0 HG SER A 103 76.232 5.688 -25.712 1.00 0.00 H new ATOM 709 N GLY A 104 77.014 9.448 -24.697 1.00 0.00 N ATOM 710 CA GLY A 104 76.208 10.636 -24.955 1.00 0.00 C ATOM 711 C GLY A 104 75.330 10.443 -26.187 1.00 0.00 C ATOM 712 O GLY A 104 74.878 9.334 -26.472 1.00 0.00 O ATOM 0 H GLY A 104 76.823 8.990 -23.806 1.00 0.00 H new ATOM 0 HA2 GLY A 104 75.583 10.851 -24.088 1.00 0.00 H new ATOM 0 HA3 GLY A 104 76.860 11.498 -25.100 1.00 0.00 H new ATOM 716 N ASP A 105 75.094 11.531 -26.913 1.00 0.00 N ATOM 717 CA ASP A 105 74.270 11.474 -28.115 1.00 0.00 C ATOM 718 C ASP A 105 72.935 10.794 -27.820 1.00 0.00 C ATOM 719 O ASP A 105 72.471 9.957 -28.594 1.00 0.00 O ATOM 720 CB ASP A 105 75.004 10.705 -29.215 1.00 0.00 C ATOM 721 CG ASP A 105 74.285 10.886 -30.548 1.00 0.00 C ATOM 722 OD1 ASP A 105 73.176 11.393 -30.535 1.00 0.00 O ATOM 723 OD2 ASP A 105 74.855 10.515 -31.561 1.00 0.00 O ATOM 0 H ASP A 105 75.459 12.457 -26.692 1.00 0.00 H new ATOM 0 HA ASP A 105 74.079 12.494 -28.450 1.00 0.00 H new ATOM 0 HB2 ASP A 105 76.031 11.061 -29.295 1.00 0.00 H new ATOM 0 HB3 ASP A 105 75.053 9.646 -28.960 1.00 0.00 H new ATOM 728 N GLY A 106 72.323 11.161 -26.699 1.00 0.00 N ATOM 729 CA GLY A 106 71.042 10.578 -26.318 1.00 0.00 C ATOM 730 C GLY A 106 70.599 11.070 -24.945 1.00 0.00 C ATOM 731 O GLY A 106 71.286 11.870 -24.309 1.00 0.00 O ATOM 0 H GLY A 106 72.689 11.852 -26.044 1.00 0.00 H new ATOM 0 HA2 GLY A 106 70.287 10.836 -27.061 1.00 0.00 H new ATOM 0 HA3 GLY A 106 71.122 9.491 -26.309 1.00 0.00 H new ATOM 735 N GLY A 107 69.447 10.585 -24.495 1.00 0.00 N ATOM 736 CA GLY A 107 68.917 10.978 -23.194 1.00 0.00 C ATOM 737 C GLY A 107 68.727 9.762 -22.294 1.00 0.00 C ATOM 738 O GLY A 107 69.368 8.729 -22.487 1.00 0.00 O ATOM 0 H GLY A 107 68.865 9.923 -25.008 1.00 0.00 H new ATOM 0 HA2 GLY A 107 69.597 11.685 -22.718 1.00 0.00 H new ATOM 0 HA3 GLY A 107 67.964 11.491 -23.325 1.00 0.00 H new ATOM 742 N ALA A 108 67.843 9.893 -21.311 1.00 0.00 N ATOM 743 CA ALA A 108 67.575 8.799 -20.386 1.00 0.00 C ATOM 744 C ALA A 108 68.815 8.473 -19.562 1.00 0.00 C ATOM 745 O ALA A 108 69.114 7.307 -19.305 1.00 0.00 O ATOM 746 CB ALA A 108 67.136 7.555 -21.160 1.00 0.00 C ATOM 0 H ALA A 108 67.303 10.740 -21.135 1.00 0.00 H new ATOM 0 HA ALA A 108 66.777 9.110 -19.712 1.00 0.00 H new ATOM 0 HB1 ALA A 108 66.938 6.743 -20.461 1.00 0.00 H new ATOM 0 HB2 ALA A 108 66.230 7.778 -21.723 1.00 0.00 H new ATOM 0 HB3 ALA A 108 67.927 7.257 -21.848 1.00 0.00 H new ATOM 752 N ALA A 109 69.533 9.511 -19.146 1.00 0.00 N ATOM 753 CA ALA A 109 70.737 9.322 -18.348 1.00 0.00 C ATOM 754 C ALA A 109 70.946 10.501 -17.405 1.00 0.00 C ATOM 755 O ALA A 109 70.592 11.636 -17.725 1.00 0.00 O ATOM 756 CB ALA A 109 71.955 9.179 -19.263 1.00 0.00 C ATOM 0 H ALA A 109 69.304 10.484 -19.347 1.00 0.00 H new ATOM 0 HA ALA A 109 70.617 8.414 -17.757 1.00 0.00 H new ATOM 0 HB1 ALA A 109 72.850 9.038 -18.658 1.00 0.00 H new ATOM 0 HB2 ALA A 109 71.820 8.317 -19.917 1.00 0.00 H new ATOM 0 HB3 ALA A 109 72.064 10.080 -19.867 1.00 0.00 H new ATOM 762 N GLY A 110 71.532 10.223 -16.247 1.00 0.00 N ATOM 763 CA GLY A 110 71.798 11.265 -15.262 1.00 0.00 C ATOM 764 C GLY A 110 73.299 11.439 -15.074 1.00 0.00 C ATOM 765 O GLY A 110 74.006 11.837 -16.001 1.00 0.00 O ATOM 0 H GLY A 110 71.831 9.289 -15.967 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.353 12.205 -15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.333 11.004 -14.311 1.00 0.00 H new ATOM 769 N ASP A 111 73.766 11.127 -13.866 1.00 0.00 N ATOM 770 CA ASP A 111 75.193 11.225 -13.527 1.00 0.00 C ATOM 771 C ASP A 111 75.619 12.674 -13.321 1.00 0.00 C ATOM 772 O ASP A 111 76.169 13.308 -14.221 1.00 0.00 O ATOM 773 CB ASP A 111 76.054 10.584 -14.623 1.00 0.00 C ATOM 774 CG ASP A 111 77.424 10.214 -14.066 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.631 10.402 -12.879 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.247 9.744 -14.836 1.00 0.00 O ATOM 0 H ASP A 111 73.177 10.802 -13.099 1.00 0.00 H new ATOM 0 HA ASP A 111 75.343 10.687 -12.591 1.00 0.00 H new ATOM 0 HB2 ASP A 111 75.559 9.694 -15.011 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.167 11.276 -15.458 1.00 0.00 H new ATOM 781 N GLY A 112 75.346 13.196 -12.128 1.00 0.00 N ATOM 782 CA GLY A 112 75.684 14.571 -11.807 1.00 0.00 C ATOM 783 C GLY A 112 74.432 15.429 -11.822 1.00 0.00 C ATOM 784 O GLY A 112 74.410 16.525 -11.261 1.00 0.00 O ATOM 0 H GLY A 112 74.892 12.684 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.156 14.619 -10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.407 14.954 -12.527 1.00 0.00 H new ATOM 788 N THR A 113 73.383 14.906 -12.447 1.00 0.00 N ATOM 789 CA THR A 113 72.119 15.602 -12.510 1.00 0.00 C ATOM 790 C THR A 113 71.054 14.790 -11.766 1.00 0.00 C ATOM 791 O THR A 113 71.227 14.492 -10.584 1.00 0.00 O ATOM 792 CB THR A 113 71.743 15.897 -13.978 1.00 0.00 C ATOM 793 OG1 THR A 113 70.427 16.433 -14.042 1.00 0.00 O ATOM 794 CG2 THR A 113 71.821 14.620 -14.816 1.00 0.00 C ATOM 0 H THR A 113 73.391 14.000 -12.916 1.00 0.00 H new ATOM 0 HA THR A 113 72.194 16.569 -12.013 1.00 0.00 H new ATOM 0 HB THR A 113 72.449 16.624 -14.379 1.00 0.00 H new ATOM 0 HG1 THR A 113 70.195 16.620 -14.976 1.00 0.00 H new ATOM 0 HG21 THR A 113 71.553 14.845 -15.848 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.836 14.224 -14.783 1.00 0.00 H new ATOM 0 HG23 THR A 113 71.130 13.879 -14.415 1.00 0.00 H new ATOM 802 N VAL A 114 69.964 14.433 -12.431 1.00 0.00 N ATOM 803 CA VAL A 114 68.918 13.675 -11.774 1.00 0.00 C ATOM 804 C VAL A 114 69.443 12.326 -11.308 1.00 0.00 C ATOM 805 O VAL A 114 70.329 11.736 -11.923 1.00 0.00 O ATOM 806 CB VAL A 114 67.748 13.467 -12.733 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.395 14.789 -13.402 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.134 12.443 -13.801 1.00 0.00 C ATOM 0 H VAL A 114 69.785 14.654 -13.411 1.00 0.00 H new ATOM 0 HA VAL A 114 68.580 14.237 -10.903 1.00 0.00 H new ATOM 0 HB VAL A 114 66.886 13.101 -12.175 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.560 14.639 -14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.115 15.518 -12.642 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.257 15.157 -13.958 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.297 12.297 -14.484 1.00 0.00 H new ATOM 0 HG22 VAL A 114 68.998 12.806 -14.358 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.383 11.495 -13.323 1.00 0.00 H new ATOM 818 N VAL A 115 68.882 11.859 -10.206 1.00 0.00 N ATOM 819 CA VAL A 115 69.271 10.587 -9.620 1.00 0.00 C ATOM 820 C VAL A 115 68.179 9.550 -9.842 1.00 0.00 C ATOM 821 O VAL A 115 66.993 9.866 -9.766 1.00 0.00 O ATOM 822 CB VAL A 115 69.502 10.764 -8.121 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.845 9.413 -7.484 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.650 11.755 -7.899 1.00 0.00 C ATOM 0 H VAL A 115 68.148 12.348 -9.694 1.00 0.00 H new ATOM 0 HA VAL A 115 70.190 10.246 -10.097 1.00 0.00 H new ATOM 0 HB VAL A 115 68.595 11.151 -7.656 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.009 9.546 -6.415 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.021 8.717 -7.641 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.750 9.014 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.818 11.884 -6.830 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.557 11.371 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.392 12.716 -8.344 1.00 0.00 H new ATOM 834 N ASP A 116 68.573 8.315 -10.117 1.00 0.00 N ATOM 835 CA ASP A 116 67.584 7.265 -10.337 1.00 0.00 C ATOM 836 C ASP A 116 67.162 6.664 -9.009 1.00 0.00 C ATOM 837 O ASP A 116 67.989 6.383 -8.141 1.00 0.00 O ATOM 838 CB ASP A 116 68.123 6.157 -11.244 1.00 0.00 C ATOM 839 CG ASP A 116 69.384 6.622 -11.960 1.00 0.00 C ATOM 840 OD1 ASP A 116 69.289 7.557 -12.737 1.00 0.00 O ATOM 841 OD2 ASP A 116 70.426 6.032 -11.721 1.00 0.00 O ATOM 0 H ASP A 116 69.546 8.018 -10.192 1.00 0.00 H new ATOM 0 HA ASP A 116 66.726 7.722 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.340 5.268 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.365 5.876 -11.975 1.00 0.00 H new ATOM 846 N CYS A 117 65.864 6.487 -8.864 1.00 0.00 N ATOM 847 CA CYS A 117 65.291 5.939 -7.650 1.00 0.00 C ATOM 848 C CYS A 117 64.477 4.691 -7.992 1.00 0.00 C ATOM 849 O CYS A 117 63.713 4.713 -8.939 1.00 0.00 O ATOM 850 CB CYS A 117 64.372 6.991 -7.045 1.00 0.00 C ATOM 851 SG CYS A 117 63.794 6.448 -5.422 1.00 0.00 S ATOM 0 H CYS A 117 65.178 6.718 -9.582 1.00 0.00 H new ATOM 0 HA CYS A 117 66.078 5.671 -6.945 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.902 7.939 -6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.521 7.164 -7.704 1.00 0.00 H new ATOM 856 N PRO A 118 64.599 3.608 -7.279 1.00 0.00 N ATOM 857 CA PRO A 118 63.813 2.387 -7.611 1.00 0.00 C ATOM 858 C PRO A 118 62.312 2.592 -7.436 1.00 0.00 C ATOM 859 O PRO A 118 61.515 1.737 -7.823 1.00 0.00 O ATOM 860 CB PRO A 118 64.343 1.326 -6.652 1.00 0.00 C ATOM 861 CG PRO A 118 64.948 2.086 -5.518 1.00 0.00 C ATOM 862 CD PRO A 118 65.462 3.402 -6.104 1.00 0.00 C ATOM 0 HA PRO A 118 63.931 2.107 -8.658 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.541 0.674 -6.305 1.00 0.00 H new ATOM 0 HB3 PRO A 118 65.083 0.690 -7.139 1.00 0.00 H new ATOM 0 HG2 PRO A 118 64.210 2.271 -4.737 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.761 1.521 -5.062 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.374 4.222 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.513 3.335 -6.384 1.00 0.00 H new ATOM 870 N VAL A 119 61.927 3.717 -6.851 1.00 0.00 N ATOM 871 CA VAL A 119 60.516 3.994 -6.636 1.00 0.00 C ATOM 872 C VAL A 119 59.926 4.809 -7.791 1.00 0.00 C ATOM 873 O VAL A 119 59.009 4.350 -8.473 1.00 0.00 O ATOM 874 CB VAL A 119 60.346 4.760 -5.329 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.861 4.846 -4.973 1.00 0.00 C ATOM 876 CG2 VAL A 119 61.112 4.036 -4.216 1.00 0.00 C ATOM 0 H VAL A 119 62.563 4.443 -6.521 1.00 0.00 H new ATOM 0 HA VAL A 119 59.983 3.045 -6.586 1.00 0.00 H new ATOM 0 HB VAL A 119 60.741 5.770 -5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.742 5.394 -4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.326 5.365 -5.768 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.456 3.841 -4.858 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.993 4.580 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.719 3.026 -4.101 1.00 0.00 H new ATOM 0 HG23 VAL A 119 62.170 3.986 -4.475 1.00 0.00 H new ATOM 886 N CYS A 120 60.452 6.013 -8.008 1.00 0.00 N ATOM 887 CA CYS A 120 59.957 6.868 -9.088 1.00 0.00 C ATOM 888 C CYS A 120 60.864 6.787 -10.313 1.00 0.00 C ATOM 889 O CYS A 120 60.438 7.069 -11.434 1.00 0.00 O ATOM 890 CB CYS A 120 59.876 8.319 -8.611 1.00 0.00 C ATOM 891 SG CYS A 120 61.532 8.902 -8.167 1.00 0.00 S ATOM 0 H CYS A 120 61.211 6.416 -7.459 1.00 0.00 H new ATOM 0 HA CYS A 120 58.964 6.516 -9.367 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.456 8.948 -9.396 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.210 8.394 -7.751 1.00 0.00 H new ATOM 896 N LYS A 121 62.109 6.387 -10.092 1.00 0.00 N ATOM 897 CA LYS A 121 63.070 6.255 -11.182 1.00 0.00 C ATOM 898 C LYS A 121 63.193 7.559 -11.970 1.00 0.00 C ATOM 899 O LYS A 121 63.511 7.551 -13.160 1.00 0.00 O ATOM 900 CB LYS A 121 62.639 5.101 -12.097 1.00 0.00 C ATOM 901 CG LYS A 121 63.375 3.809 -11.707 1.00 0.00 C ATOM 902 CD LYS A 121 62.432 2.861 -10.956 1.00 0.00 C ATOM 903 CE LYS A 121 62.874 1.419 -11.200 1.00 0.00 C ATOM 904 NZ LYS A 121 62.013 0.494 -10.408 1.00 0.00 N ATOM 0 H LYS A 121 62.478 6.149 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 121 64.053 6.036 -10.765 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.562 4.951 -12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 121 62.855 5.351 -13.136 1.00 0.00 H new ATOM 0 HG2 LYS A 121 63.758 3.317 -12.601 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.235 4.048 -11.081 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.447 3.083 -9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.406 3.003 -11.297 1.00 0.00 H new ATOM 0 HE2 LYS A 121 62.803 1.180 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 121 63.919 1.294 -10.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.504 -0.414 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 61.816 0.915 -9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.118 0.335 -10.913 1.00 0.00 H new ATOM 918 N GLN A 122 62.964 8.680 -11.287 1.00 0.00 N ATOM 919 CA GLN A 122 63.074 9.992 -11.920 1.00 0.00 C ATOM 920 C GLN A 122 63.205 11.097 -10.871 1.00 0.00 C ATOM 921 O GLN A 122 62.413 11.169 -9.931 1.00 0.00 O ATOM 922 CB GLN A 122 61.850 10.257 -12.792 1.00 0.00 C ATOM 923 CG GLN A 122 62.028 11.583 -13.532 1.00 0.00 C ATOM 924 CD GLN A 122 60.845 11.806 -14.467 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.009 10.917 -14.633 1.00 0.00 O ATOM 926 NE2 GLN A 122 60.718 12.945 -15.088 1.00 0.00 N ATOM 0 H GLN A 122 62.703 8.706 -10.301 1.00 0.00 H new ATOM 0 HA GLN A 122 63.970 9.994 -12.540 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.717 9.445 -13.507 1.00 0.00 H new ATOM 0 HB3 GLN A 122 60.952 10.290 -12.176 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.100 12.403 -12.818 1.00 0.00 H new ATOM 0 HG3 GLN A 122 62.958 11.572 -14.101 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.411 13.681 -14.950 1.00 0.00 H new ATOM 0 HE22 GLN A 122 59.926 13.100 -15.712 1.00 0.00 H new ATOM 935 N GLN A 123 64.202 11.957 -11.048 1.00 0.00 N ATOM 936 CA GLN A 123 64.433 13.067 -10.125 1.00 0.00 C ATOM 937 C GLN A 123 64.400 14.388 -10.884 1.00 0.00 C ATOM 938 O GLN A 123 65.045 14.526 -11.917 1.00 0.00 O ATOM 939 CB GLN A 123 65.793 12.895 -9.444 1.00 0.00 C ATOM 940 CG GLN A 123 65.608 12.543 -7.963 1.00 0.00 C ATOM 941 CD GLN A 123 65.382 11.045 -7.804 1.00 0.00 C ATOM 942 OE1 GLN A 123 66.298 10.318 -7.423 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.212 10.536 -8.076 1.00 0.00 N ATOM 0 H GLN A 123 64.865 11.908 -11.822 1.00 0.00 H new ATOM 0 HA GLN A 123 63.649 13.072 -9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.360 12.109 -9.943 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.372 13.814 -9.536 1.00 0.00 H new ATOM 0 HG2 GLN A 123 66.488 12.848 -7.396 1.00 0.00 H new ATOM 0 HG3 GLN A 123 64.760 13.092 -7.554 1.00 0.00 H new ATOM 0 HE21 GLN A 123 63.454 11.141 -8.392 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.056 9.533 -7.973 1.00 0.00 H new ATOM 952 N CYS A 124 63.638 15.358 -10.385 1.00 0.00 N ATOM 953 CA CYS A 124 63.550 16.645 -11.065 1.00 0.00 C ATOM 954 C CYS A 124 64.918 17.321 -11.124 1.00 0.00 C ATOM 955 O CYS A 124 65.344 17.792 -12.178 1.00 0.00 O ATOM 956 CB CYS A 124 62.565 17.559 -10.334 1.00 0.00 C ATOM 957 SG CYS A 124 60.879 16.940 -10.560 1.00 0.00 S ATOM 0 H CYS A 124 63.085 15.281 -9.532 1.00 0.00 H new ATOM 0 HA CYS A 124 63.199 16.468 -12.082 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.809 17.599 -9.272 1.00 0.00 H new ATOM 0 HB3 CYS A 124 62.644 18.576 -10.717 1.00 0.00 H new ATOM 0 HG CYS A 124 60.044 17.717 -9.936 1.00 0.00 H new ATOM 963 N PHE A 125 65.605 17.354 -9.987 1.00 0.00 N ATOM 964 CA PHE A 125 66.930 17.963 -9.921 1.00 0.00 C ATOM 965 C PHE A 125 67.812 17.209 -8.945 1.00 0.00 C ATOM 966 O PHE A 125 67.364 16.272 -8.282 1.00 0.00 O ATOM 967 CB PHE A 125 66.838 19.418 -9.473 1.00 0.00 C ATOM 968 CG PHE A 125 65.802 20.135 -10.306 1.00 0.00 C ATOM 969 CD1 PHE A 125 64.546 20.431 -9.765 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.102 20.499 -11.624 1.00 0.00 C ATOM 971 CE1 PHE A 125 63.588 21.092 -10.544 1.00 0.00 C ATOM 972 CE2 PHE A 125 65.145 21.160 -12.402 1.00 0.00 C ATOM 973 CZ PHE A 125 63.888 21.457 -11.862 1.00 0.00 C ATOM 0 H PHE A 125 65.270 16.969 -9.104 1.00 0.00 H new ATOM 0 HA PHE A 125 67.363 17.919 -10.920 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.571 19.469 -8.418 1.00 0.00 H new ATOM 0 HB3 PHE A 125 67.807 19.905 -9.580 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.316 20.150 -8.748 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.072 20.270 -12.040 1.00 0.00 H new ATOM 0 HE1 PHE A 125 62.618 21.320 -10.128 1.00 0.00 H new ATOM 0 HE2 PHE A 125 65.376 21.441 -13.419 1.00 0.00 H new ATOM 0 HZ PHE A 125 63.150 21.968 -12.462 1.00 0.00 H new ATOM 983 N SER A 126 69.063 17.634 -8.852 1.00 0.00 N ATOM 984 CA SER A 126 69.998 17.001 -7.946 1.00 0.00 C ATOM 985 C SER A 126 70.326 17.919 -6.766 1.00 0.00 C ATOM 986 O SER A 126 71.441 17.904 -6.242 1.00 0.00 O ATOM 987 CB SER A 126 71.277 16.655 -8.695 1.00 0.00 C ATOM 988 OG SER A 126 71.097 16.942 -10.071 1.00 0.00 O ATOM 0 H SER A 126 69.449 18.410 -9.391 1.00 0.00 H new ATOM 0 HA SER A 126 69.539 16.092 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.114 17.229 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.520 15.601 -8.559 1.00 0.00 H new ATOM 0 HG SER A 126 71.631 17.727 -10.314 1.00 0.00 H new ATOM 994 N LYS A 127 69.355 18.729 -6.362 1.00 0.00 N ATOM 995 CA LYS A 127 69.562 19.663 -5.254 1.00 0.00 C ATOM 996 C LYS A 127 69.287 19.004 -3.903 1.00 0.00 C ATOM 997 O LYS A 127 69.890 19.368 -2.892 1.00 0.00 O ATOM 998 CB LYS A 127 68.638 20.863 -5.418 1.00 0.00 C ATOM 999 CG LYS A 127 68.789 21.455 -6.822 1.00 0.00 C ATOM 1000 CD LYS A 127 70.229 21.917 -7.053 1.00 0.00 C ATOM 1001 CE LYS A 127 70.326 22.579 -8.428 1.00 0.00 C ATOM 1002 NZ LYS A 127 70.133 21.547 -9.486 1.00 0.00 N ATOM 0 H LYS A 127 68.424 18.761 -6.778 1.00 0.00 H new ATOM 0 HA LYS A 127 70.605 19.979 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.604 20.561 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.874 21.619 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 127 68.515 20.710 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.106 22.296 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 127 70.528 22.620 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 127 70.910 21.068 -6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 127 69.571 23.359 -8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 127 71.297 23.060 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 70.782 21.735 -10.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 70.331 20.605 -9.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 69.151 21.580 -9.828 1.00 0.00 H new ATOM 1016 N ASP A 128 68.364 18.049 -3.884 1.00 0.00 N ATOM 1017 CA ASP A 128 68.008 17.365 -2.648 1.00 0.00 C ATOM 1018 C ASP A 128 68.618 15.964 -2.582 1.00 0.00 C ATOM 1019 O ASP A 128 68.126 15.094 -1.864 1.00 0.00 O ATOM 1020 CB ASP A 128 66.492 17.280 -2.525 1.00 0.00 C ATOM 1021 CG ASP A 128 65.914 18.654 -2.204 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.686 19.533 -1.860 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.708 18.807 -2.308 1.00 0.00 O ATOM 0 H ASP A 128 67.851 17.732 -4.707 1.00 0.00 H new ATOM 0 HA ASP A 128 68.412 17.942 -1.816 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.064 16.905 -3.455 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.222 16.571 -1.742 1.00 0.00 H new ATOM 1028 N ILE A 129 69.685 15.749 -3.338 1.00 0.00 N ATOM 1029 CA ILE A 129 70.351 14.451 -3.353 1.00 0.00 C ATOM 1030 C ILE A 129 71.029 14.175 -2.014 1.00 0.00 C ATOM 1031 O ILE A 129 70.791 14.891 -1.040 1.00 0.00 O ATOM 1032 CB ILE A 129 71.386 14.407 -4.478 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.384 15.557 -4.295 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.671 14.535 -5.820 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.554 15.388 -5.266 1.00 0.00 C ATOM 0 H ILE A 129 70.107 16.451 -3.946 1.00 0.00 H new ATOM 0 HA ILE A 129 69.599 13.681 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 129 71.928 13.462 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.889 16.512 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.751 15.572 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.403 14.504 -6.627 1.00 0.00 H new ATOM 0 HG22 ILE A 129 69.967 13.711 -5.937 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.131 15.481 -5.856 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.260 16.208 -5.132 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.056 14.441 -5.069 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.181 15.395 -6.290 1.00 0.00 H new ATOM 1047 N VAL A 130 71.860 13.122 -1.987 1.00 0.00 N ATOM 1048 CA VAL A 130 72.583 12.720 -0.786 1.00 0.00 C ATOM 1049 C VAL A 130 73.017 13.936 0.016 1.00 0.00 C ATOM 1050 O VAL A 130 73.943 14.633 -0.373 1.00 0.00 O ATOM 1051 CB VAL A 130 73.823 11.916 -1.185 1.00 0.00 C ATOM 1052 CG1 VAL A 130 73.429 10.475 -1.488 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.455 12.535 -2.435 1.00 0.00 C ATOM 0 H VAL A 130 72.045 12.531 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 130 71.920 12.112 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 130 74.538 11.933 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 130 74.315 9.907 -1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.979 10.027 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 130 72.710 10.459 -2.307 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.338 11.962 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.734 12.519 -3.253 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.743 13.565 -2.225 1.00 0.00 H new ATOM 1063 N GLU A 131 72.315 14.179 1.119 1.00 0.00 N ATOM 1064 CA GLU A 131 72.586 15.319 1.992 1.00 0.00 C ATOM 1065 C GLU A 131 71.494 15.459 3.029 1.00 0.00 C ATOM 1066 O GLU A 131 71.728 15.927 4.143 1.00 0.00 O ATOM 1067 CB GLU A 131 72.597 16.608 1.188 1.00 0.00 C ATOM 1068 CG GLU A 131 74.035 17.078 1.000 1.00 0.00 C ATOM 1069 CD GLU A 131 74.146 17.963 -0.238 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.127 18.477 -0.668 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.250 18.115 -0.735 1.00 0.00 O ATOM 0 H GLU A 131 71.542 13.592 1.434 1.00 0.00 H new ATOM 0 HA GLU A 131 73.552 15.146 2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.126 16.448 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.017 17.375 1.702 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.362 17.631 1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.696 16.217 0.900 1.00 0.00 H new ATOM 1078 N ASN A 132 70.287 15.095 2.633 1.00 0.00 N ATOM 1079 CA ASN A 132 69.151 15.229 3.514 1.00 0.00 C ATOM 1080 C ASN A 132 69.053 14.036 4.455 1.00 0.00 C ATOM 1081 O ASN A 132 68.095 13.263 4.402 1.00 0.00 O ATOM 1082 CB ASN A 132 67.882 15.354 2.681 1.00 0.00 C ATOM 1083 CG ASN A 132 68.050 16.491 1.681 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.857 17.657 2.024 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.431 16.222 0.465 1.00 0.00 N ATOM 0 H ASN A 132 70.074 14.708 1.714 1.00 0.00 H new ATOM 0 HA ASN A 132 69.276 16.125 4.122 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.683 14.419 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.026 15.546 3.327 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.570 16.978 -0.205 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.590 15.255 0.183 1.00 0.00 H new ATOM 1092 N TYR A 133 70.056 13.895 5.312 1.00 0.00 N ATOM 1093 CA TYR A 133 70.098 12.808 6.260 1.00 0.00 C ATOM 1094 C TYR A 133 69.589 13.269 7.620 1.00 0.00 C ATOM 1095 O TYR A 133 70.004 12.754 8.657 1.00 0.00 O ATOM 1096 CB TYR A 133 71.532 12.298 6.387 1.00 0.00 C ATOM 1097 CG TYR A 133 72.460 13.425 6.770 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.639 13.732 8.117 1.00 0.00 C ATOM 1099 CD2 TYR A 133 73.151 14.148 5.789 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.504 14.767 8.494 1.00 0.00 C ATOM 1101 CE2 TYR A 133 74.016 15.185 6.162 1.00 0.00 C ATOM 1102 CZ TYR A 133 74.194 15.492 7.516 1.00 0.00 C ATOM 1103 OH TYR A 133 75.047 16.512 7.887 1.00 0.00 O ATOM 0 H TYR A 133 70.853 14.529 5.364 1.00 0.00 H new ATOM 0 HA TYR A 133 69.456 12.002 5.904 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.579 11.509 7.138 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.853 11.859 5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.109 13.171 8.872 1.00 0.00 H new ATOM 0 HD2 TYR A 133 73.017 13.906 4.745 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.638 15.005 9.539 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.545 15.747 5.406 1.00 0.00 H new ATOM 0 HH TYR A 133 75.447 16.912 7.086 1.00 0.00 H new ATOM 1113 N PHE A 134 68.691 14.246 7.607 1.00 0.00 N ATOM 1114 CA PHE A 134 68.137 14.772 8.847 1.00 0.00 C ATOM 1115 C PHE A 134 67.437 13.669 9.633 1.00 0.00 C ATOM 1116 O PHE A 134 67.655 13.517 10.835 1.00 0.00 O ATOM 1117 CB PHE A 134 67.142 15.895 8.550 1.00 0.00 C ATOM 1118 CG PHE A 134 66.546 16.386 9.842 1.00 0.00 C ATOM 1119 CD1 PHE A 134 67.249 17.309 10.608 1.00 0.00 C ATOM 1120 CD2 PHE A 134 65.302 15.913 10.275 1.00 0.00 C ATOM 1121 CE1 PHE A 134 66.715 17.772 11.817 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.762 16.373 11.483 1.00 0.00 C ATOM 1123 CZ PHE A 134 65.471 17.304 12.255 1.00 0.00 C ATOM 0 H PHE A 134 68.334 14.687 6.759 1.00 0.00 H new ATOM 0 HA PHE A 134 68.959 15.167 9.444 1.00 0.00 H new ATOM 0 HB2 PHE A 134 67.643 16.713 8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 134 66.355 15.534 7.887 1.00 0.00 H new ATOM 0 HD1 PHE A 134 68.209 17.670 10.270 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.759 15.194 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 134 67.262 18.489 12.411 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.801 16.011 11.819 1.00 0.00 H new ATOM 0 HZ PHE A 134 65.057 17.660 13.187 1.00 0.00 H new ATOM 1133 N MET A 135 66.595 12.904 8.949 1.00 0.00 N ATOM 1134 CA MET A 135 65.869 11.822 9.601 1.00 0.00 C ATOM 1135 C MET A 135 66.788 10.621 9.811 1.00 0.00 C ATOM 1136 O MET A 135 67.319 10.061 8.852 1.00 0.00 O ATOM 1137 CB MET A 135 64.678 11.406 8.740 1.00 0.00 C ATOM 1138 CG MET A 135 63.619 10.750 9.624 1.00 0.00 C ATOM 1139 SD MET A 135 62.730 12.032 10.545 1.00 0.00 S ATOM 1140 CE MET A 135 63.345 11.615 12.195 1.00 0.00 C ATOM 0 H MET A 135 66.399 13.011 7.954 1.00 0.00 H new ATOM 0 HA MET A 135 65.514 12.173 10.570 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.258 12.276 8.235 1.00 0.00 H new ATOM 0 HB3 MET A 135 65.001 10.712 7.964 1.00 0.00 H new ATOM 0 HG2 MET A 135 62.923 10.176 9.012 1.00 0.00 H new ATOM 0 HG3 MET A 135 64.088 10.049 10.315 1.00 0.00 H new ATOM 0 HE1 MET A 135 62.550 11.140 12.770 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.188 10.930 12.107 1.00 0.00 H new ATOM 0 HE3 MET A 135 63.668 12.524 12.703 1.00 0.00 H new ATOM 1150 N ARG A 136 66.972 10.232 11.069 1.00 0.00 N ATOM 1151 CA ARG A 136 67.832 9.098 11.389 1.00 0.00 C ATOM 1152 C ARG A 136 67.070 8.050 12.188 1.00 0.00 C ATOM 1153 O ARG A 136 67.623 7.405 13.078 1.00 0.00 O ATOM 1154 CB ARG A 136 69.050 9.566 12.182 1.00 0.00 C ATOM 1155 CG ARG A 136 69.943 10.415 11.279 1.00 0.00 C ATOM 1156 CD ARG A 136 71.299 10.613 11.953 1.00 0.00 C ATOM 1157 NE ARG A 136 71.143 11.353 13.202 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.160 11.518 14.051 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.342 11.019 13.789 1.00 0.00 N ATOM 1160 NH2 ARG A 136 71.975 12.183 15.160 1.00 0.00 N ATOM 0 H ARG A 136 66.541 10.681 11.877 1.00 0.00 H new ATOM 0 HA ARG A 136 68.164 8.649 10.453 1.00 0.00 H new ATOM 0 HB2 ARG A 136 68.733 10.146 13.049 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.605 8.707 12.559 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.072 9.927 10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.474 11.380 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.758 9.645 12.151 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.969 11.153 11.284 1.00 0.00 H new ATOM 0 HE ARG A 136 70.234 11.754 13.432 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.495 10.496 12.927 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.110 11.153 14.447 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.057 12.573 15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 136 72.748 12.312 15.812 1.00 0.00 H new ATOM 1174 N ASP A 137 65.795 7.891 11.863 1.00 0.00 N ATOM 1175 CA ASP A 137 64.953 6.922 12.556 1.00 0.00 C ATOM 1176 C ASP A 137 65.477 5.505 12.349 1.00 0.00 C ATOM 1177 O ASP A 137 65.942 5.157 11.262 1.00 0.00 O ATOM 1178 CB ASP A 137 63.521 7.023 12.044 1.00 0.00 C ATOM 1179 CG ASP A 137 62.878 8.306 12.557 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.442 8.910 13.455 1.00 0.00 O ATOM 1181 OD2 ASP A 137 61.832 8.668 12.042 1.00 0.00 O ATOM 0 H ASP A 137 65.321 8.416 11.128 1.00 0.00 H new ATOM 0 HA ASP A 137 64.974 7.146 13.623 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.513 7.012 10.954 1.00 0.00 H new ATOM 0 HB3 ASP A 137 62.945 6.159 12.375 1.00 0.00 H new ATOM 1186 N SER A 138 65.395 4.692 13.397 1.00 0.00 N ATOM 1187 CA SER A 138 65.861 3.316 13.322 1.00 0.00 C ATOM 1188 C SER A 138 65.539 2.555 14.606 1.00 0.00 C ATOM 1189 O SER A 138 65.335 1.341 14.585 1.00 0.00 O ATOM 1190 CB SER A 138 67.360 3.303 13.089 1.00 0.00 C ATOM 1191 OG SER A 138 68.011 3.977 14.157 1.00 0.00 O ATOM 0 H SER A 138 65.012 4.962 14.303 1.00 0.00 H new ATOM 0 HA SER A 138 65.349 2.824 12.495 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.719 2.276 13.020 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.596 3.787 12.141 1.00 0.00 H new ATOM 0 HG SER A 138 68.241 4.888 13.877 1.00 0.00 H new ATOM 1197 N GLY A 139 65.505 3.274 15.724 1.00 0.00 N ATOM 1198 CA GLY A 139 65.222 2.658 17.013 1.00 0.00 C ATOM 1199 C GLY A 139 65.290 3.696 18.126 1.00 0.00 C ATOM 1200 O GLY A 139 65.037 4.879 17.902 1.00 0.00 O ATOM 0 H GLY A 139 65.669 4.280 15.762 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.233 2.200 16.995 1.00 0.00 H new ATOM 0 HA3 GLY A 139 65.939 1.860 17.207 1.00 0.00 H new ATOM 1204 N SER A 140 65.638 3.246 19.322 1.00 0.00 N ATOM 1205 CA SER A 140 65.742 4.144 20.464 1.00 0.00 C ATOM 1206 C SER A 140 66.821 5.195 20.223 1.00 0.00 C ATOM 1207 O SER A 140 66.829 6.252 20.854 1.00 0.00 O ATOM 1208 CB SER A 140 66.066 3.353 21.730 1.00 0.00 C ATOM 1209 OG SER A 140 67.344 2.745 21.590 1.00 0.00 O ATOM 0 H SER A 140 65.852 2.270 19.527 1.00 0.00 H new ATOM 0 HA SER A 140 64.784 4.647 20.592 1.00 0.00 H new ATOM 0 HB2 SER A 140 66.058 4.013 22.597 1.00 0.00 H new ATOM 0 HB3 SER A 140 65.305 2.592 21.902 1.00 0.00 H new ATOM 0 HG SER A 140 67.556 2.238 22.401 1.00 0.00 H new ATOM 1215 N LYS A 141 67.729 4.903 19.302 1.00 0.00 N ATOM 1216 CA LYS A 141 68.799 5.836 18.986 1.00 0.00 C ATOM 1217 C LYS A 141 68.228 7.097 18.346 1.00 0.00 C ATOM 1218 O LYS A 141 67.347 7.027 17.489 1.00 0.00 O ATOM 1219 CB LYS A 141 69.802 5.173 18.037 1.00 0.00 C ATOM 1220 CG LYS A 141 70.532 4.056 18.790 1.00 0.00 C ATOM 1221 CD LYS A 141 71.528 3.368 17.855 1.00 0.00 C ATOM 1222 CE LYS A 141 72.254 2.254 18.611 1.00 0.00 C ATOM 1223 NZ LYS A 141 73.054 2.847 19.720 1.00 0.00 N ATOM 0 H LYS A 141 67.746 4.036 18.766 1.00 0.00 H new ATOM 0 HA LYS A 141 69.310 6.114 19.908 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.286 4.767 17.167 1.00 0.00 H new ATOM 0 HB3 LYS A 141 70.517 5.909 17.669 1.00 0.00 H new ATOM 0 HG2 LYS A 141 71.054 4.468 19.654 1.00 0.00 H new ATOM 0 HG3 LYS A 141 69.813 3.330 19.169 1.00 0.00 H new ATOM 0 HD2 LYS A 141 71.007 2.955 16.991 1.00 0.00 H new ATOM 0 HD3 LYS A 141 72.248 4.094 17.476 1.00 0.00 H new ATOM 0 HE2 LYS A 141 71.533 1.540 19.010 1.00 0.00 H new ATOM 0 HE3 LYS A 141 72.905 1.704 17.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 73.781 2.169 20.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 73.512 3.720 19.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 72.428 3.066 20.521 1.00 0.00 H new ATOM 1237 N ALA A 142 68.729 8.249 18.779 1.00 0.00 N ATOM 1238 CA ALA A 142 68.261 9.528 18.254 1.00 0.00 C ATOM 1239 C ALA A 142 66.737 9.634 18.349 1.00 0.00 C ATOM 1240 O ALA A 142 66.119 10.419 17.630 1.00 0.00 O ATOM 1241 CB ALA A 142 68.694 9.683 16.795 1.00 0.00 C ATOM 0 H ALA A 142 69.457 8.324 19.490 1.00 0.00 H new ATOM 0 HA ALA A 142 68.703 10.324 18.854 1.00 0.00 H new ATOM 0 HB1 ALA A 142 68.341 10.640 16.410 1.00 0.00 H new ATOM 0 HB2 ALA A 142 69.782 9.646 16.732 1.00 0.00 H new ATOM 0 HB3 ALA A 142 68.268 8.874 16.201 1.00 0.00 H new ATOM 1247 N ALA A 143 66.139 8.844 19.238 1.00 0.00 N ATOM 1248 CA ALA A 143 64.690 8.866 19.411 1.00 0.00 C ATOM 1249 C ALA A 143 64.246 10.154 20.097 1.00 0.00 C ATOM 1250 O ALA A 143 64.940 10.674 20.971 1.00 0.00 O ATOM 1251 CB ALA A 143 64.244 7.663 20.245 1.00 0.00 C ATOM 0 H ALA A 143 66.630 8.187 19.844 1.00 0.00 H new ATOM 0 HA ALA A 143 64.228 8.817 18.425 1.00 0.00 H new ATOM 0 HB1 ALA A 143 63.161 7.688 20.369 1.00 0.00 H new ATOM 0 HB2 ALA A 143 64.530 6.742 19.737 1.00 0.00 H new ATOM 0 HB3 ALA A 143 64.722 7.701 21.224 1.00 0.00 H new ATOM 1257 N THR A 144 63.083 10.661 19.700 1.00 0.00 N ATOM 1258 CA THR A 144 62.555 11.887 20.288 1.00 0.00 C ATOM 1259 C THR A 144 62.017 11.619 21.690 1.00 0.00 C ATOM 1260 O THR A 144 62.039 12.498 22.552 1.00 0.00 O ATOM 1261 CB THR A 144 61.437 12.450 19.409 1.00 0.00 C ATOM 1262 OG1 THR A 144 61.075 13.742 19.876 1.00 0.00 O ATOM 1263 CG2 THR A 144 60.221 11.525 19.470 1.00 0.00 C ATOM 0 H THR A 144 62.492 10.246 18.979 1.00 0.00 H new ATOM 0 HA THR A 144 63.364 12.614 20.354 1.00 0.00 H new ATOM 0 HB THR A 144 61.786 12.519 18.379 1.00 0.00 H new ATOM 0 HG1 THR A 144 60.360 14.105 19.313 1.00 0.00 H new ATOM 0 HG21 THR A 144 59.426 11.928 18.843 1.00 0.00 H new ATOM 0 HG22 THR A 144 60.499 10.534 19.111 1.00 0.00 H new ATOM 0 HG23 THR A 144 59.870 11.453 20.499 1.00 0.00 H new ATOM 1271 N ASP A 145 61.533 10.401 21.911 1.00 0.00 N ATOM 1272 CA ASP A 145 60.991 10.028 23.212 1.00 0.00 C ATOM 1273 C ASP A 145 62.053 9.320 24.048 1.00 0.00 C ATOM 1274 O ASP A 145 61.796 8.207 24.478 1.00 0.00 O ATOM 1275 CB ASP A 145 59.782 9.106 23.026 1.00 0.00 C ATOM 1276 CG ASP A 145 59.121 8.820 24.372 1.00 0.00 C ATOM 1277 OD1 ASP A 145 59.675 9.220 25.383 1.00 0.00 O ATOM 1278 OD2 ASP A 145 58.067 8.205 24.372 1.00 0.00 O ATOM 1279 OXT ASP A 145 63.107 9.901 24.245 1.00 0.00 O ATOM 0 H ASP A 145 61.505 9.660 21.211 1.00 0.00 H new ATOM 0 HA ASP A 145 60.680 10.934 23.733 1.00 0.00 H new ATOM 0 HB2 ASP A 145 59.063 9.570 22.351 1.00 0.00 H new ATOM 0 HB3 ASP A 145 60.097 8.171 22.562 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.224 8.082 -6.073 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.554 0.414 1.275 1.00 0.00 ZN