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 Single : A 64 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.95) USER MOD Single : A 86 SER OG : rot 180:sc= -0.319 USER MOD Single : A 89 SER OG : rot 180:sc= -1.22 USER MOD Single : A 101 ASN : amide:sc= -3.42 K(o=-3.4,f=-2.6!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 113 THR OG1 : rot -120:sc= 0.399 USER MOD Single : A 121 LYS NZ :NH3+ -161:sc= 1.11 (180deg=0.797) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 123 GLN : amide:sc= -3.46 K(o=-3.5,f=-6.8!) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 130:sc= -1.35 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.805 X(o=-0.81,f=-0.41) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 SER OG : rot 44:sc= -0.222 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -130:sc= 1.26 (180deg=-0.952) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 65.358 -4.026 16.823 1.00 0.00 N ATOM 2 CA GLY A 54 65.148 -2.785 17.563 1.00 0.00 C ATOM 3 C GLY A 54 63.948 -2.023 17.012 1.00 0.00 C ATOM 4 O GLY A 54 63.165 -1.446 17.766 1.00 0.00 O ATOM 0 HA2 GLY A 54 64.990 -3.008 18.618 1.00 0.00 H new ATOM 0 HA3 GLY A 54 66.040 -2.163 17.499 1.00 0.00 H new ATOM 8 N GLY A 55 63.815 -2.023 15.692 1.00 0.00 N ATOM 9 CA GLY A 55 62.709 -1.329 15.042 1.00 0.00 C ATOM 10 C GLY A 55 63.117 0.078 14.626 1.00 0.00 C ATOM 11 O GLY A 55 64.117 0.617 15.102 1.00 0.00 O ATOM 0 H GLY A 55 64.455 -2.493 15.052 1.00 0.00 H new ATOM 0 HA2 GLY A 55 62.386 -1.892 14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.857 -1.279 15.720 1.00 0.00 H new ATOM 15 N ALA A 56 62.334 0.670 13.734 1.00 0.00 N ATOM 16 CA ALA A 56 62.621 2.014 13.259 1.00 0.00 C ATOM 17 C ALA A 56 61.330 2.823 13.140 1.00 0.00 C ATOM 18 O ALA A 56 60.301 2.307 12.705 1.00 0.00 O ATOM 19 CB ALA A 56 63.323 1.944 11.896 1.00 0.00 C ATOM 0 H ALA A 56 61.501 0.243 13.328 1.00 0.00 H new ATOM 0 HA ALA A 56 63.277 2.508 13.976 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.536 2.953 11.544 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.256 1.390 11.995 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.676 1.439 11.179 1.00 0.00 H new ATOM 25 N GLU A 57 61.398 4.095 13.518 1.00 0.00 N ATOM 26 CA GLU A 57 60.233 4.979 13.440 1.00 0.00 C ATOM 27 C GLU A 57 60.248 5.752 12.128 1.00 0.00 C ATOM 28 O GLU A 57 59.750 6.879 12.031 1.00 0.00 O ATOM 29 CB GLU A 57 60.218 5.960 14.605 1.00 0.00 C ATOM 30 CG GLU A 57 59.790 5.237 15.885 1.00 0.00 C ATOM 31 CD GLU A 57 60.971 4.477 16.485 1.00 0.00 C ATOM 32 OE1 GLU A 57 62.076 4.658 16.002 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.750 3.726 17.420 1.00 0.00 O ATOM 0 H GLU A 57 62.242 4.539 13.880 1.00 0.00 H new ATOM 0 HA GLU A 57 59.336 4.361 13.489 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.208 6.398 14.737 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.532 6.780 14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.408 5.958 16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 57 58.977 4.545 15.665 1.00 0.00 H new ATOM 40 N ALA A 58 60.815 5.125 11.117 1.00 0.00 N ATOM 41 CA ALA A 58 60.905 5.722 9.801 1.00 0.00 C ATOM 42 C ALA A 58 59.527 5.993 9.218 1.00 0.00 C ATOM 43 O ALA A 58 59.393 6.697 8.222 1.00 0.00 O ATOM 44 CB ALA A 58 61.738 4.845 8.870 1.00 0.00 C ATOM 0 H ALA A 58 61.224 4.193 11.184 1.00 0.00 H new ATOM 0 HA ALA A 58 61.408 6.684 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.794 5.310 7.886 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.743 4.734 9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.272 3.863 8.781 1.00 0.00 H new ATOM 50 N LEU A 59 58.511 5.439 9.853 1.00 0.00 N ATOM 51 CA LEU A 59 57.132 5.617 9.419 1.00 0.00 C ATOM 52 C LEU A 59 56.826 7.079 9.137 1.00 0.00 C ATOM 53 O LEU A 59 55.910 7.394 8.376 1.00 0.00 O ATOM 54 CB LEU A 59 56.218 5.141 10.532 1.00 0.00 C ATOM 55 CG LEU A 59 56.270 3.623 10.601 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.741 3.176 11.957 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.390 3.018 9.501 1.00 0.00 C ATOM 0 H LEU A 59 58.615 4.854 10.682 1.00 0.00 H new ATOM 0 HA LEU A 59 56.977 5.048 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.528 5.572 11.484 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.197 5.475 10.349 1.00 0.00 H new ATOM 0 HG LEU A 59 57.298 3.289 10.464 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.773 2.088 12.019 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.358 3.603 12.747 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.712 3.516 12.076 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.433 1.930 9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.360 3.348 9.636 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.750 3.345 8.526 1.00 0.00 H new ATOM 69 N GLU A 60 57.585 7.971 9.755 1.00 0.00 N ATOM 70 CA GLU A 60 57.365 9.390 9.555 1.00 0.00 C ATOM 71 C GLU A 60 57.510 9.745 8.083 1.00 0.00 C ATOM 72 O GLU A 60 56.725 10.521 7.539 1.00 0.00 O ATOM 73 CB GLU A 60 58.380 10.187 10.377 1.00 0.00 C ATOM 74 CG GLU A 60 58.093 9.997 11.864 1.00 0.00 C ATOM 75 CD GLU A 60 56.809 10.723 12.250 1.00 0.00 C ATOM 76 OE1 GLU A 60 56.358 11.544 11.468 1.00 0.00 O ATOM 77 OE2 GLU A 60 56.296 10.448 13.323 1.00 0.00 O ATOM 0 H GLU A 60 58.348 7.739 10.391 1.00 0.00 H new ATOM 0 HA GLU A 60 56.355 9.639 9.880 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.392 9.855 10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.324 11.244 10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 60 58.001 8.935 12.091 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.926 10.378 12.454 1.00 0.00 H new ATOM 84 N LEU A 61 58.511 9.166 7.447 1.00 0.00 N ATOM 85 CA LEU A 61 58.751 9.414 6.028 1.00 0.00 C ATOM 86 C LEU A 61 58.306 8.235 5.158 1.00 0.00 C ATOM 87 O LEU A 61 57.733 8.429 4.089 1.00 0.00 O ATOM 88 CB LEU A 61 60.234 9.674 5.801 1.00 0.00 C ATOM 89 CG LEU A 61 60.756 10.647 6.859 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.573 9.885 7.895 1.00 0.00 C ATOM 91 CD2 LEU A 61 61.632 11.708 6.190 1.00 0.00 C ATOM 0 H LEU A 61 59.171 8.523 7.883 1.00 0.00 H new ATOM 0 HA LEU A 61 58.163 10.285 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.789 8.737 5.850 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.392 10.086 4.805 1.00 0.00 H new ATOM 0 HG LEU A 61 59.914 11.133 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 61 61.944 10.580 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 61 60.945 9.133 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.415 9.396 7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 61 62.004 12.401 6.944 1.00 0.00 H new ATOM 0 HD22 LEU A 61 62.474 11.225 5.695 1.00 0.00 H new ATOM 0 HD23 LEU A 61 61.043 12.255 5.454 1.00 0.00 H new ATOM 103 N LEU A 62 58.584 7.018 5.632 1.00 0.00 N ATOM 104 CA LEU A 62 58.232 5.799 4.920 1.00 0.00 C ATOM 105 C LEU A 62 58.425 4.601 5.844 1.00 0.00 C ATOM 106 O LEU A 62 57.480 4.176 6.501 1.00 0.00 O ATOM 107 CB LEU A 62 59.092 5.661 3.657 1.00 0.00 C ATOM 108 CG LEU A 62 58.241 5.990 2.436 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.109 6.658 1.367 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.645 4.697 1.873 1.00 0.00 C ATOM 0 H LEU A 62 59.059 6.856 6.520 1.00 0.00 H new ATOM 0 HA LEU A 62 57.187 5.841 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.949 6.333 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.486 4.648 3.579 1.00 0.00 H new ATOM 0 HG LEU A 62 57.439 6.670 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.497 6.892 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.536 7.577 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 62 59.912 5.981 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.035 4.928 0.999 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.450 4.020 1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.025 4.221 2.633 1.00 0.00 H new ATOM 122 N GLU A 63 59.659 4.093 5.891 1.00 0.00 N ATOM 123 CA GLU A 63 60.036 2.960 6.735 1.00 0.00 C ATOM 124 C GLU A 63 61.380 2.381 6.301 1.00 0.00 C ATOM 125 O GLU A 63 62.409 2.655 6.912 1.00 0.00 O ATOM 126 CB GLU A 63 58.979 1.874 6.683 1.00 0.00 C ATOM 127 CG GLU A 63 58.230 1.835 8.011 1.00 0.00 C ATOM 128 CD GLU A 63 57.775 0.409 8.311 1.00 0.00 C ATOM 129 OE1 GLU A 63 57.419 -0.287 7.375 1.00 0.00 O ATOM 130 OE2 GLU A 63 57.794 0.033 9.472 1.00 0.00 O ATOM 0 H GLU A 63 60.432 4.462 5.337 1.00 0.00 H new ATOM 0 HA GLU A 63 60.121 3.326 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.284 2.066 5.866 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.443 0.908 6.486 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.875 2.196 8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.367 2.500 7.971 1.00 0.00 H new ATOM 137 N HIS A 64 61.358 1.573 5.248 1.00 0.00 N ATOM 138 CA HIS A 64 62.572 0.951 4.743 1.00 0.00 C ATOM 139 C HIS A 64 62.991 1.582 3.429 1.00 0.00 C ATOM 140 O HIS A 64 62.201 2.248 2.758 1.00 0.00 O ATOM 141 CB HIS A 64 62.358 -0.550 4.542 1.00 0.00 C ATOM 142 CG HIS A 64 61.073 -0.785 3.813 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.889 -0.972 4.495 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.762 -0.883 2.479 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.926 -1.173 3.588 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.400 -1.130 2.339 1.00 0.00 N ATOM 0 H HIS A 64 60.513 1.334 4.729 1.00 0.00 H new ATOM 0 HA HIS A 64 63.361 1.107 5.478 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.189 -0.973 3.978 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.337 -1.056 5.507 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.465 -0.784 1.665 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.890 -1.349 3.836 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.877 -1.252 1.472 1.00 0.00 H new ATOM 154 N CYS A 65 64.243 1.357 3.075 1.00 0.00 N ATOM 155 CA CYS A 65 64.799 1.887 1.845 1.00 0.00 C ATOM 156 C CYS A 65 64.254 1.129 0.642 1.00 0.00 C ATOM 157 O CYS A 65 64.179 -0.087 0.659 1.00 0.00 O ATOM 158 CB CYS A 65 66.309 1.762 1.898 1.00 0.00 C ATOM 159 SG CYS A 65 67.003 2.221 0.295 1.00 0.00 S ATOM 0 H CYS A 65 64.899 0.805 3.628 1.00 0.00 H new ATOM 0 HA CYS A 65 64.517 2.935 1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.711 2.407 2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.592 0.740 2.151 1.00 0.00 H new ATOM 164 N GLY A 66 63.859 1.856 -0.390 1.00 0.00 N ATOM 165 CA GLY A 66 63.304 1.225 -1.585 1.00 0.00 C ATOM 166 C GLY A 66 64.352 0.443 -2.384 1.00 0.00 C ATOM 167 O GLY A 66 64.022 -0.518 -3.080 1.00 0.00 O ATOM 0 H GLY A 66 63.910 2.874 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.498 0.551 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.864 1.991 -2.224 1.00 0.00 H new ATOM 171 N VAL A 67 65.602 0.890 -2.323 1.00 0.00 N ATOM 172 CA VAL A 67 66.685 0.265 -3.085 1.00 0.00 C ATOM 173 C VAL A 67 66.957 -1.177 -2.655 1.00 0.00 C ATOM 174 O VAL A 67 67.232 -2.037 -3.491 1.00 0.00 O ATOM 175 CB VAL A 67 67.955 1.089 -2.912 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.130 0.375 -3.580 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.760 2.471 -3.542 1.00 0.00 C ATOM 0 H VAL A 67 65.894 1.684 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 67 66.375 0.237 -4.130 1.00 0.00 H new ATOM 0 HB VAL A 67 68.167 1.205 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 67 70.036 0.968 -3.454 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.270 -0.603 -3.121 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.923 0.250 -4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.669 3.059 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.543 2.359 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.929 2.980 -3.053 1.00 0.00 H new ATOM 187 N CYS A 68 66.908 -1.429 -1.355 1.00 0.00 N ATOM 188 CA CYS A 68 67.180 -2.763 -0.830 1.00 0.00 C ATOM 189 C CYS A 68 65.945 -3.346 -0.157 1.00 0.00 C ATOM 190 O CYS A 68 65.868 -4.551 0.086 1.00 0.00 O ATOM 191 CB CYS A 68 68.331 -2.692 0.176 1.00 0.00 C ATOM 192 SG CYS A 68 68.029 -1.338 1.347 1.00 0.00 S ATOM 0 H CYS A 68 66.684 -0.732 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 68 67.456 -3.412 -1.661 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.419 -3.637 0.712 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.275 -2.532 -0.346 1.00 0.00 H new ATOM 197 N ARG A 69 64.978 -2.487 0.129 1.00 0.00 N ATOM 198 CA ARG A 69 63.744 -2.918 0.760 1.00 0.00 C ATOM 199 C ARG A 69 64.029 -3.477 2.144 1.00 0.00 C ATOM 200 O ARG A 69 63.450 -4.481 2.559 1.00 0.00 O ATOM 201 CB ARG A 69 63.054 -3.964 -0.112 1.00 0.00 C ATOM 202 CG ARG A 69 63.120 -3.525 -1.587 1.00 0.00 C ATOM 203 CD ARG A 69 64.108 -4.404 -2.360 1.00 0.00 C ATOM 204 NE ARG A 69 63.589 -4.687 -3.694 1.00 0.00 N ATOM 205 CZ ARG A 69 64.340 -5.263 -4.635 1.00 0.00 C ATOM 206 NH1 ARG A 69 65.582 -5.601 -4.388 1.00 0.00 N ATOM 207 NH2 ARG A 69 63.830 -5.495 -5.813 1.00 0.00 N ATOM 0 H ARG A 69 65.026 -1.487 -0.067 1.00 0.00 H new ATOM 0 HA ARG A 69 63.080 -2.061 0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.537 -4.933 0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.016 -4.084 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.130 -3.595 -2.039 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.426 -2.481 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.072 -3.901 -2.435 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.276 -5.336 -1.821 1.00 0.00 H new ATOM 0 HE ARG A 69 62.625 -4.437 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 69 65.985 -5.424 -3.468 1.00 0.00 H new ATOM 0 HH12 ARG A 69 66.145 -6.041 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 69 62.863 -5.236 -6.010 1.00 0.00 H new ATOM 0 HH22 ARG A 69 64.398 -5.935 -6.537 1.00 0.00 H new ATOM 221 N GLU A 70 64.924 -2.802 2.853 1.00 0.00 N ATOM 222 CA GLU A 70 65.291 -3.208 4.198 1.00 0.00 C ATOM 223 C GLU A 70 65.122 -2.051 5.157 1.00 0.00 C ATOM 224 O GLU A 70 65.338 -0.889 4.805 1.00 0.00 O ATOM 225 CB GLU A 70 66.733 -3.702 4.224 1.00 0.00 C ATOM 226 CG GLU A 70 66.868 -4.885 3.271 1.00 0.00 C ATOM 227 CD GLU A 70 66.008 -6.048 3.755 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.688 -6.072 4.931 1.00 0.00 O ATOM 229 OE2 GLU A 70 65.684 -6.897 2.942 1.00 0.00 O ATOM 0 H GLU A 70 65.408 -1.970 2.516 1.00 0.00 H new ATOM 0 HA GLU A 70 64.635 -4.021 4.508 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.411 -2.901 3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 70 67.011 -3.999 5.235 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.563 -4.590 2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.911 -5.195 3.209 1.00 0.00 H new ATOM 236 N ARG A 71 64.717 -2.378 6.365 1.00 0.00 N ATOM 237 CA ARG A 71 64.495 -1.375 7.384 1.00 0.00 C ATOM 238 C ARG A 71 65.718 -0.486 7.536 1.00 0.00 C ATOM 239 O ARG A 71 66.840 -0.903 7.253 1.00 0.00 O ATOM 240 CB ARG A 71 64.179 -2.069 8.705 1.00 0.00 C ATOM 241 CG ARG A 71 63.346 -1.146 9.593 1.00 0.00 C ATOM 242 CD ARG A 71 61.881 -1.241 9.178 1.00 0.00 C ATOM 243 NE ARG A 71 61.353 -2.559 9.522 1.00 0.00 N ATOM 244 CZ ARG A 71 60.152 -2.968 9.109 1.00 0.00 C ATOM 245 NH1 ARG A 71 59.399 -2.192 8.370 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.723 -4.154 9.445 1.00 0.00 N ATOM 0 H ARG A 71 64.534 -3.335 6.666 1.00 0.00 H new ATOM 0 HA ARG A 71 63.655 -0.745 7.091 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.636 -2.995 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 71 65.104 -2.339 9.214 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.459 -1.429 10.640 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.697 -0.118 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.301 -0.465 9.678 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.786 -1.070 8.106 1.00 0.00 H new ATOM 0 HE ARG A 71 61.919 -3.185 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 71 59.729 -1.264 8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 71 58.483 -2.516 8.060 1.00 0.00 H new ATOM 0 HH21 ARG A 71 60.305 -4.763 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.806 -4.472 9.132 1.00 0.00 H new ATOM 260 N LEU A 72 65.488 0.747 7.958 1.00 0.00 N ATOM 261 CA LEU A 72 66.573 1.698 8.119 1.00 0.00 C ATOM 262 C LEU A 72 67.225 1.558 9.494 1.00 0.00 C ATOM 263 O LEU A 72 66.695 2.030 10.498 1.00 0.00 O ATOM 264 CB LEU A 72 66.023 3.115 7.942 1.00 0.00 C ATOM 265 CG LEU A 72 65.445 3.259 6.531 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.704 4.597 6.414 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.586 3.207 5.503 1.00 0.00 C ATOM 0 H LEU A 72 64.564 1.110 8.194 1.00 0.00 H new ATOM 0 HA LEU A 72 67.334 1.497 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.252 3.314 8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.815 3.847 8.100 1.00 0.00 H new ATOM 0 HG LEU A 72 64.748 2.444 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.293 4.699 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.894 4.629 7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.398 5.415 6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.176 3.309 4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.285 4.021 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 72 67.108 2.254 5.586 1.00 0.00 H new ATOM 279 N ARG A 73 68.387 0.908 9.519 1.00 0.00 N ATOM 280 CA ARG A 73 69.127 0.708 10.766 1.00 0.00 C ATOM 281 C ARG A 73 69.823 1.992 11.195 1.00 0.00 C ATOM 282 O ARG A 73 70.053 2.882 10.376 1.00 0.00 O ATOM 283 CB ARG A 73 70.194 -0.375 10.614 1.00 0.00 C ATOM 284 CG ARG A 73 69.554 -1.757 10.629 1.00 0.00 C ATOM 285 CD ARG A 73 68.982 -2.080 9.248 1.00 0.00 C ATOM 286 NE ARG A 73 68.535 -3.469 9.201 1.00 0.00 N ATOM 287 CZ ARG A 73 69.394 -4.477 9.052 1.00 0.00 C ATOM 288 NH1 ARG A 73 70.681 -4.253 8.959 1.00 0.00 N ATOM 289 NH2 ARG A 73 68.948 -5.702 8.998 1.00 0.00 N ATOM 0 H ARG A 73 68.836 0.512 8.694 1.00 0.00 H new ATOM 0 HA ARG A 73 68.398 0.404 11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.738 -0.230 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 73 70.920 -0.295 11.423 1.00 0.00 H new ATOM 0 HG2 ARG A 73 70.293 -2.507 10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.763 -1.793 11.378 1.00 0.00 H new ATOM 0 HD2 ARG A 73 68.148 -1.414 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 73 69.739 -1.908 8.483 1.00 0.00 H new ATOM 0 HE ARG A 73 67.539 -3.673 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 73 71.037 -3.298 9.000 1.00 0.00 H new ATOM 0 HH12 ARG A 73 71.328 -5.034 8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 73 67.947 -5.884 9.070 1.00 0.00 H new ATOM 0 HH22 ARG A 73 69.600 -6.478 8.884 1.00 0.00 H new ATOM 303 N PRO A 74 70.184 2.101 12.447 1.00 0.00 N ATOM 304 CA PRO A 74 70.893 3.304 12.966 1.00 0.00 C ATOM 305 C PRO A 74 72.191 3.554 12.205 1.00 0.00 C ATOM 306 O PRO A 74 72.603 4.696 12.010 1.00 0.00 O ATOM 307 CB PRO A 74 71.173 2.960 14.432 1.00 0.00 C ATOM 308 CG PRO A 74 70.153 1.935 14.781 1.00 0.00 C ATOM 309 CD PRO A 74 69.962 1.108 13.515 1.00 0.00 C ATOM 0 HA PRO A 74 70.307 4.216 12.851 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.184 2.573 14.562 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.084 3.840 15.069 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.489 1.312 15.610 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.218 2.401 15.091 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.674 0.284 13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 74 68.965 0.672 13.462 1.00 0.00 H new ATOM 317 N GLU A 75 72.825 2.468 11.776 1.00 0.00 N ATOM 318 CA GLU A 75 74.076 2.566 11.033 1.00 0.00 C ATOM 319 C GLU A 75 73.799 2.683 9.533 1.00 0.00 C ATOM 320 O GLU A 75 74.713 2.910 8.741 1.00 0.00 O ATOM 321 CB GLU A 75 74.928 1.320 11.280 1.00 0.00 C ATOM 322 CG GLU A 75 74.649 0.777 12.681 1.00 0.00 C ATOM 323 CD GLU A 75 75.722 -0.231 13.071 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.148 -0.979 12.207 1.00 0.00 O ATOM 325 OE2 GLU A 75 76.107 -0.239 14.229 1.00 0.00 O ATOM 0 H GLU A 75 72.496 1.515 11.929 1.00 0.00 H new ATOM 0 HA GLU A 75 74.607 3.454 11.374 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.703 0.559 10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.985 1.564 11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 75 74.629 1.596 13.400 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.667 0.304 12.708 1.00 0.00 H new ATOM 332 N ARG A 76 72.535 2.508 9.151 1.00 0.00 N ATOM 333 CA ARG A 76 72.143 2.571 7.751 1.00 0.00 C ATOM 334 C ARG A 76 72.292 3.983 7.209 1.00 0.00 C ATOM 335 O ARG A 76 72.442 4.186 6.004 1.00 0.00 O ATOM 336 CB ARG A 76 70.676 2.149 7.639 1.00 0.00 C ATOM 337 CG ARG A 76 70.351 1.567 6.255 1.00 0.00 C ATOM 338 CD ARG A 76 71.187 0.311 6.012 1.00 0.00 C ATOM 339 NE ARG A 76 70.600 -0.520 4.965 1.00 0.00 N ATOM 340 CZ ARG A 76 71.269 -1.547 4.433 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.478 -1.845 4.839 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.713 -2.262 3.492 1.00 0.00 N ATOM 0 H ARG A 76 71.767 2.321 9.795 1.00 0.00 H new ATOM 0 HA ARG A 76 72.786 1.908 7.172 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.452 1.408 8.406 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.035 3.010 7.830 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.290 1.326 6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.557 2.307 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 76 72.201 0.595 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 76 71.263 -0.263 6.936 1.00 0.00 H new ATOM 0 HE ARG A 76 69.658 -0.312 4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.921 -1.290 5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.976 -2.632 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 76 69.773 -2.035 3.167 1.00 0.00 H new ATOM 0 HH22 ARG A 76 71.219 -3.047 3.082 1.00 0.00 H new ATOM 356 N GLU A 77 72.241 4.957 8.106 1.00 0.00 N ATOM 357 CA GLU A 77 72.355 6.346 7.707 1.00 0.00 C ATOM 358 C GLU A 77 71.381 6.658 6.586 1.00 0.00 C ATOM 359 O GLU A 77 71.774 6.815 5.431 1.00 0.00 O ATOM 360 CB GLU A 77 73.777 6.651 7.250 1.00 0.00 C ATOM 361 CG GLU A 77 73.916 8.152 6.997 1.00 0.00 C ATOM 362 CD GLU A 77 75.356 8.490 6.630 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.181 7.591 6.666 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.613 9.640 6.319 1.00 0.00 O ATOM 0 H GLU A 77 72.122 4.809 9.108 1.00 0.00 H new ATOM 0 HA GLU A 77 72.115 6.969 8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.491 6.331 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 77 74.006 6.095 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.246 8.457 6.193 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.619 8.708 7.887 1.00 0.00 H new ATOM 371 N PRO A 78 70.126 6.747 6.911 1.00 0.00 N ATOM 372 CA PRO A 78 69.059 7.043 5.920 1.00 0.00 C ATOM 373 C PRO A 78 69.151 8.465 5.404 1.00 0.00 C ATOM 374 O PRO A 78 69.607 9.373 6.099 1.00 0.00 O ATOM 375 CB PRO A 78 67.766 6.813 6.701 1.00 0.00 C ATOM 376 CG PRO A 78 68.137 7.035 8.129 1.00 0.00 C ATOM 377 CD PRO A 78 69.583 6.579 8.266 1.00 0.00 C ATOM 0 HA PRO A 78 69.131 6.418 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.984 7.503 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.383 5.804 6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.032 8.086 8.400 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.485 6.468 8.794 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.127 7.182 8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.647 5.543 8.598 1.00 0.00 H new ATOM 385 N ARG A 79 68.729 8.631 4.168 1.00 0.00 N ATOM 386 CA ARG A 79 68.771 9.923 3.518 1.00 0.00 C ATOM 387 C ARG A 79 67.545 10.146 2.657 1.00 0.00 C ATOM 388 O ARG A 79 67.070 9.231 2.003 1.00 0.00 O ATOM 389 CB ARG A 79 70.015 10.001 2.663 1.00 0.00 C ATOM 390 CG ARG A 79 71.223 10.290 3.556 1.00 0.00 C ATOM 391 CD ARG A 79 72.509 10.182 2.743 1.00 0.00 C ATOM 392 NE ARG A 79 73.653 10.580 3.553 1.00 0.00 N ATOM 393 CZ ARG A 79 74.905 10.327 3.171 1.00 0.00 C ATOM 394 NH1 ARG A 79 75.147 9.686 2.055 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.901 10.726 3.914 1.00 0.00 N ATOM 0 H ARG A 79 68.350 7.881 3.590 1.00 0.00 H new ATOM 0 HA ARG A 79 68.788 10.699 4.283 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.161 9.064 2.126 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.907 10.785 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 79 71.137 11.288 3.986 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.248 9.586 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.641 9.158 2.393 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.443 10.816 1.859 1.00 0.00 H new ATOM 0 HE ARG A 79 73.492 11.065 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.373 9.375 1.468 1.00 0.00 H new ATOM 0 HH12 ARG A 79 76.109 9.498 1.773 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.720 11.229 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 79 76.861 10.535 3.626 1.00 0.00 H new ATOM 409 N LEU A 80 67.044 11.370 2.657 1.00 0.00 N ATOM 410 CA LEU A 80 65.860 11.692 1.875 1.00 0.00 C ATOM 411 C LEU A 80 66.231 12.215 0.488 1.00 0.00 C ATOM 412 O LEU A 80 67.047 13.128 0.353 1.00 0.00 O ATOM 413 CB LEU A 80 65.033 12.738 2.613 1.00 0.00 C ATOM 414 CG LEU A 80 63.651 12.818 1.986 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.821 11.641 2.480 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.981 14.135 2.384 1.00 0.00 C ATOM 0 H LEU A 80 67.434 12.151 3.184 1.00 0.00 H new ATOM 0 HA LEU A 80 65.279 10.779 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.952 12.476 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.525 13.709 2.562 1.00 0.00 H new ATOM 0 HG LEU A 80 63.731 12.780 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.826 11.686 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.305 10.708 2.191 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.737 11.685 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.990 14.190 1.933 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.889 14.183 3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.586 14.971 2.034 1.00 0.00 H new ATOM 428 N LEU A 81 65.621 11.626 -0.540 1.00 0.00 N ATOM 429 CA LEU A 81 65.880 12.029 -1.916 1.00 0.00 C ATOM 430 C LEU A 81 64.997 13.208 -2.324 1.00 0.00 C ATOM 431 O LEU A 81 64.004 13.517 -1.668 1.00 0.00 O ATOM 432 CB LEU A 81 65.597 10.866 -2.871 1.00 0.00 C ATOM 433 CG LEU A 81 66.902 10.322 -3.448 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.775 9.773 -2.321 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.580 9.202 -4.438 1.00 0.00 C ATOM 0 H LEU A 81 64.945 10.869 -0.443 1.00 0.00 H new ATOM 0 HA LEU A 81 66.928 12.324 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.067 10.073 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.946 11.200 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 81 67.439 11.122 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.705 9.386 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.999 10.571 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.245 8.970 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.507 8.808 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.045 8.404 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 81 65.958 9.595 -5.242 1.00 0.00 H new ATOM 447 N PRO A 82 65.333 13.845 -3.413 1.00 0.00 N ATOM 448 CA PRO A 82 64.556 14.998 -3.958 1.00 0.00 C ATOM 449 C PRO A 82 63.132 14.603 -4.358 1.00 0.00 C ATOM 450 O PRO A 82 62.258 15.458 -4.504 1.00 0.00 O ATOM 451 CB PRO A 82 65.339 15.426 -5.201 1.00 0.00 C ATOM 452 CG PRO A 82 66.682 14.795 -5.085 1.00 0.00 C ATOM 453 CD PRO A 82 66.499 13.537 -4.251 1.00 0.00 C ATOM 0 HA PRO A 82 64.449 15.787 -3.213 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.834 15.101 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.422 16.512 -5.254 1.00 0.00 H new ATOM 0 HG2 PRO A 82 67.083 14.553 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.390 15.475 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.323 12.663 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.381 13.324 -3.648 1.00 0.00 H new ATOM 461 N CYS A 83 62.910 13.304 -4.532 1.00 0.00 N ATOM 462 CA CYS A 83 61.594 12.805 -4.912 1.00 0.00 C ATOM 463 C CYS A 83 60.776 12.486 -3.668 1.00 0.00 C ATOM 464 O CYS A 83 59.646 12.004 -3.765 1.00 0.00 O ATOM 465 CB CYS A 83 61.733 11.556 -5.791 1.00 0.00 C ATOM 466 SG CYS A 83 62.748 10.324 -4.943 1.00 0.00 S ATOM 0 H CYS A 83 63.621 12.581 -4.417 1.00 0.00 H new ATOM 0 HA CYS A 83 61.078 13.577 -5.483 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.749 11.142 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.187 11.820 -6.746 1.00 0.00 H new ATOM 471 N LEU A 84 61.365 12.764 -2.504 1.00 0.00 N ATOM 472 CA LEU A 84 60.713 12.527 -1.229 1.00 0.00 C ATOM 473 C LEU A 84 60.691 11.051 -0.891 1.00 0.00 C ATOM 474 O LEU A 84 59.671 10.505 -0.477 1.00 0.00 O ATOM 475 CB LEU A 84 59.289 13.093 -1.229 1.00 0.00 C ATOM 476 CG LEU A 84 58.967 13.710 0.132 1.00 0.00 C ATOM 477 CD1 LEU A 84 57.572 14.337 0.085 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.998 12.621 1.205 1.00 0.00 C ATOM 0 H LEU A 84 62.303 13.158 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 84 61.291 13.044 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 84 59.189 13.846 -2.011 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.575 12.301 -1.456 1.00 0.00 H new ATOM 0 HG LEU A 84 59.705 14.476 0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 84 57.339 14.778 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 84 57.547 15.111 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.836 13.569 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.769 13.060 2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 84 58.258 11.856 0.969 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.989 12.169 1.236 1.00 0.00 H new ATOM 490 N HIS A 85 61.837 10.424 -1.040 1.00 0.00 N ATOM 491 CA HIS A 85 61.964 9.023 -0.719 1.00 0.00 C ATOM 492 C HIS A 85 63.220 8.804 0.094 1.00 0.00 C ATOM 493 O HIS A 85 64.315 9.178 -0.323 1.00 0.00 O ATOM 494 CB HIS A 85 62.025 8.195 -1.994 1.00 0.00 C ATOM 495 CG HIS A 85 60.711 8.305 -2.716 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.627 8.377 -4.096 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.418 8.352 -2.261 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.326 8.470 -4.420 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.545 8.460 -3.338 1.00 0.00 N ATOM 0 H HIS A 85 62.692 10.863 -1.381 1.00 0.00 H new ATOM 0 HA HIS A 85 61.096 8.710 -0.139 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.835 8.547 -2.632 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.237 7.153 -1.756 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.122 8.311 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 85 58.958 8.544 -5.433 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.527 8.519 -3.308 1.00 0.00 H new ATOM 507 N SER A 86 63.059 8.204 1.250 1.00 0.00 N ATOM 508 CA SER A 86 64.202 7.954 2.107 1.00 0.00 C ATOM 509 C SER A 86 64.880 6.655 1.703 1.00 0.00 C ATOM 510 O SER A 86 64.220 5.664 1.394 1.00 0.00 O ATOM 511 CB SER A 86 63.774 7.858 3.565 1.00 0.00 C ATOM 512 OG SER A 86 63.092 9.047 3.938 1.00 0.00 O ATOM 0 H SER A 86 62.164 7.883 1.618 1.00 0.00 H new ATOM 0 HA SER A 86 64.897 8.786 1.994 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.125 6.994 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.646 7.711 4.202 1.00 0.00 H new ATOM 0 HG SER A 86 62.815 8.985 4.876 1.00 0.00 H new ATOM 518 N ALA A 87 66.201 6.678 1.697 1.00 0.00 N ATOM 519 CA ALA A 87 66.978 5.503 1.318 1.00 0.00 C ATOM 520 C ALA A 87 68.294 5.467 2.089 1.00 0.00 C ATOM 521 O ALA A 87 68.738 6.478 2.617 1.00 0.00 O ATOM 522 CB ALA A 87 67.262 5.531 -0.183 1.00 0.00 C ATOM 0 H ALA A 87 66.760 7.493 1.949 1.00 0.00 H new ATOM 0 HA ALA A 87 66.402 4.610 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.843 4.651 -0.460 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.320 5.532 -0.732 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.826 6.430 -0.430 1.00 0.00 H new ATOM 528 N CYS A 88 68.913 4.295 2.151 1.00 0.00 N ATOM 529 CA CYS A 88 70.171 4.147 2.867 1.00 0.00 C ATOM 530 C CYS A 88 71.248 5.012 2.221 1.00 0.00 C ATOM 531 O CYS A 88 71.203 5.275 1.020 1.00 0.00 O ATOM 532 CB CYS A 88 70.632 2.686 2.831 1.00 0.00 C ATOM 533 SG CYS A 88 69.232 1.586 3.129 1.00 0.00 S ATOM 0 H CYS A 88 68.567 3.439 1.717 1.00 0.00 H new ATOM 0 HA CYS A 88 70.014 4.460 3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 88 71.081 2.462 1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.401 2.521 3.585 1.00 0.00 H new ATOM 538 N SER A 89 72.217 5.442 3.018 1.00 0.00 N ATOM 539 CA SER A 89 73.296 6.268 2.496 1.00 0.00 C ATOM 540 C SER A 89 74.038 5.539 1.382 1.00 0.00 C ATOM 541 O SER A 89 74.285 6.098 0.314 1.00 0.00 O ATOM 542 CB SER A 89 74.274 6.592 3.626 1.00 0.00 C ATOM 543 OG SER A 89 75.381 7.305 3.101 1.00 0.00 O ATOM 0 H SER A 89 72.278 5.236 4.015 1.00 0.00 H new ATOM 0 HA SER A 89 72.872 7.187 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.776 7.185 4.394 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.613 5.673 4.103 1.00 0.00 H new ATOM 0 HG SER A 89 76.008 7.515 3.824 1.00 0.00 H new ATOM 549 N ALA A 90 74.379 4.288 1.641 1.00 0.00 N ATOM 550 CA ALA A 90 75.085 3.473 0.663 1.00 0.00 C ATOM 551 C ALA A 90 74.217 3.229 -0.567 1.00 0.00 C ATOM 552 O ALA A 90 74.694 3.311 -1.694 1.00 0.00 O ATOM 553 CB ALA A 90 75.478 2.134 1.285 1.00 0.00 C ATOM 0 H ALA A 90 74.179 3.813 2.521 1.00 0.00 H new ATOM 0 HA ALA A 90 75.983 4.010 0.356 1.00 0.00 H new ATOM 0 HB1 ALA A 90 76.006 1.531 0.546 1.00 0.00 H new ATOM 0 HB2 ALA A 90 76.128 2.308 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.581 1.607 1.610 1.00 0.00 H new ATOM 559 N CYS A 91 72.937 2.942 -0.339 1.00 0.00 N ATOM 560 CA CYS A 91 72.005 2.694 -1.430 1.00 0.00 C ATOM 561 C CYS A 91 71.784 3.964 -2.229 1.00 0.00 C ATOM 562 O CYS A 91 71.412 3.920 -3.401 1.00 0.00 O ATOM 563 CB CYS A 91 70.675 2.184 -0.873 1.00 0.00 C ATOM 564 SG CYS A 91 70.907 0.522 -0.196 1.00 0.00 S ATOM 0 H CYS A 91 72.525 2.876 0.592 1.00 0.00 H new ATOM 0 HA CYS A 91 72.427 1.936 -2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.311 2.857 -0.097 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.921 2.166 -1.660 1.00 0.00 H new ATOM 569 N LEU A 92 72.020 5.091 -1.584 1.00 0.00 N ATOM 570 CA LEU A 92 71.853 6.370 -2.225 1.00 0.00 C ATOM 571 C LEU A 92 72.842 6.543 -3.372 1.00 0.00 C ATOM 572 O LEU A 92 72.538 7.201 -4.368 1.00 0.00 O ATOM 573 CB LEU A 92 72.059 7.453 -1.184 1.00 0.00 C ATOM 574 CG LEU A 92 70.810 8.318 -1.132 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.753 7.625 -0.275 1.00 0.00 C ATOM 576 CD2 LEU A 92 71.157 9.674 -0.535 1.00 0.00 C ATOM 0 H LEU A 92 72.329 5.140 -0.613 1.00 0.00 H new ATOM 0 HA LEU A 92 70.850 6.437 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.252 7.008 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 92 72.929 8.059 -1.436 1.00 0.00 H new ATOM 0 HG LEU A 92 70.418 8.462 -2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.855 8.242 -0.235 1.00 0.00 H new ATOM 0 HD12 LEU A 92 69.509 6.657 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.140 7.481 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 92 70.262 10.295 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 92 71.547 9.538 0.474 1.00 0.00 H new ATOM 0 HD23 LEU A 92 71.911 10.161 -1.153 1.00 0.00 H new ATOM 588 N GLY A 93 74.024 5.952 -3.235 1.00 0.00 N ATOM 589 CA GLY A 93 75.033 6.059 -4.283 1.00 0.00 C ATOM 590 C GLY A 93 74.530 5.446 -5.587 1.00 0.00 C ATOM 591 O GLY A 93 74.336 6.151 -6.578 1.00 0.00 O ATOM 0 H GLY A 93 74.305 5.402 -2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.287 7.107 -4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.946 5.554 -3.967 1.00 0.00 H new ATOM 595 N PRO A 94 74.304 4.158 -5.602 1.00 0.00 N ATOM 596 CA PRO A 94 73.795 3.443 -6.809 1.00 0.00 C ATOM 597 C PRO A 94 72.395 3.911 -7.186 1.00 0.00 C ATOM 598 O PRO A 94 71.430 3.626 -6.476 1.00 0.00 O ATOM 599 CB PRO A 94 73.772 1.966 -6.389 1.00 0.00 C ATOM 600 CG PRO A 94 74.617 1.882 -5.161 1.00 0.00 C ATOM 601 CD PRO A 94 74.514 3.242 -4.480 1.00 0.00 C ATOM 0 HA PRO A 94 74.417 3.627 -7.685 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.754 1.632 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.166 1.328 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 94 74.267 1.089 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.652 1.651 -5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.687 3.276 -3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.420 3.485 -3.925 1.00 0.00 H new ATOM 609 N ALA A 95 72.300 4.617 -8.310 1.00 0.00 N ATOM 610 CA ALA A 95 71.022 5.127 -8.798 1.00 0.00 C ATOM 611 C ALA A 95 71.253 6.104 -9.949 1.00 0.00 C ATOM 612 O ALA A 95 70.972 5.795 -11.105 1.00 0.00 O ATOM 613 CB ALA A 95 70.260 5.834 -7.671 1.00 0.00 C ATOM 0 H ALA A 95 73.097 4.850 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 95 70.428 4.284 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.310 6.208 -8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.073 5.130 -6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.854 6.668 -7.297 1.00 0.00 H new ATOM 619 N ALA A 96 71.781 7.283 -9.620 1.00 0.00 N ATOM 620 CA ALA A 96 72.056 8.299 -10.645 1.00 0.00 C ATOM 621 C ALA A 96 73.052 7.768 -11.692 1.00 0.00 C ATOM 622 O ALA A 96 72.709 7.667 -12.870 1.00 0.00 O ATOM 623 CB ALA A 96 72.591 9.591 -9.995 1.00 0.00 C ATOM 0 H ALA A 96 72.025 7.559 -8.669 1.00 0.00 H new ATOM 0 HA ALA A 96 71.120 8.529 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 96 72.789 10.333 -10.769 1.00 0.00 H new ATOM 0 HB2 ALA A 96 71.849 9.982 -9.299 1.00 0.00 H new ATOM 0 HB3 ALA A 96 73.513 9.373 -9.457 1.00 0.00 H new ATOM 629 N PRO A 97 74.253 7.395 -11.298 1.00 0.00 N ATOM 630 CA PRO A 97 75.266 6.831 -12.238 1.00 0.00 C ATOM 631 C PRO A 97 74.694 5.727 -13.114 1.00 0.00 C ATOM 632 O PRO A 97 74.043 4.803 -12.626 1.00 0.00 O ATOM 633 CB PRO A 97 76.363 6.275 -11.310 1.00 0.00 C ATOM 634 CG PRO A 97 75.789 6.326 -9.929 1.00 0.00 C ATOM 635 CD PRO A 97 74.804 7.482 -9.945 1.00 0.00 C ATOM 0 HA PRO A 97 75.630 7.585 -12.936 1.00 0.00 H new ATOM 0 HB2 PRO A 97 76.629 5.255 -11.586 1.00 0.00 H new ATOM 0 HB3 PRO A 97 77.273 6.871 -11.378 1.00 0.00 H new ATOM 0 HG2 PRO A 97 75.292 5.390 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 97 76.569 6.485 -9.185 1.00 0.00 H new ATOM 0 HD2 PRO A 97 74.033 7.371 -9.183 1.00 0.00 H new ATOM 0 HD3 PRO A 97 75.295 8.439 -9.765 1.00 0.00 H new ATOM 643 N ALA A 98 74.948 5.835 -14.413 1.00 0.00 N ATOM 644 CA ALA A 98 74.466 4.846 -15.363 1.00 0.00 C ATOM 645 C ALA A 98 72.981 4.567 -15.142 1.00 0.00 C ATOM 646 O ALA A 98 72.529 3.427 -15.254 1.00 0.00 O ATOM 647 CB ALA A 98 75.270 3.560 -15.206 1.00 0.00 C ATOM 0 H ALA A 98 75.484 6.596 -14.829 1.00 0.00 H new ATOM 0 HA ALA A 98 74.593 5.234 -16.374 1.00 0.00 H new ATOM 0 HB1 ALA A 98 74.910 2.817 -15.918 1.00 0.00 H new ATOM 0 HB2 ALA A 98 76.324 3.764 -15.396 1.00 0.00 H new ATOM 0 HB3 ALA A 98 75.152 3.178 -14.192 1.00 0.00 H new ATOM 653 N ALA A 99 72.226 5.614 -14.831 1.00 0.00 N ATOM 654 CA ALA A 99 70.795 5.461 -14.603 1.00 0.00 C ATOM 655 C ALA A 99 70.099 5.025 -15.889 1.00 0.00 C ATOM 656 O ALA A 99 70.344 5.582 -16.957 1.00 0.00 O ATOM 657 CB ALA A 99 70.199 6.786 -14.120 1.00 0.00 C ATOM 0 H ALA A 99 72.576 6.567 -14.732 1.00 0.00 H new ATOM 0 HA ALA A 99 70.643 4.697 -13.840 1.00 0.00 H new ATOM 0 HB1 ALA A 99 69.129 6.664 -13.952 1.00 0.00 H new ATOM 0 HB2 ALA A 99 70.681 7.084 -13.189 1.00 0.00 H new ATOM 0 HB3 ALA A 99 70.362 7.555 -14.875 1.00 0.00 H new ATOM 663 N ALA A 100 69.225 4.033 -15.778 1.00 0.00 N ATOM 664 CA ALA A 100 68.496 3.536 -16.940 1.00 0.00 C ATOM 665 C ALA A 100 69.450 3.164 -18.078 1.00 0.00 C ATOM 666 O ALA A 100 69.047 3.118 -19.240 1.00 0.00 O ATOM 667 CB ALA A 100 67.510 4.598 -17.430 1.00 0.00 C ATOM 0 H ALA A 100 69.004 3.559 -14.902 1.00 0.00 H new ATOM 0 HA ALA A 100 67.955 2.640 -16.637 1.00 0.00 H new ATOM 0 HB1 ALA A 100 66.969 4.220 -18.298 1.00 0.00 H new ATOM 0 HB2 ALA A 100 66.802 4.832 -16.635 1.00 0.00 H new ATOM 0 HB3 ALA A 100 68.055 5.500 -17.707 1.00 0.00 H new ATOM 673 N ASN A 101 70.709 2.888 -17.740 1.00 0.00 N ATOM 674 CA ASN A 101 71.689 2.511 -18.755 1.00 0.00 C ATOM 675 C ASN A 101 72.024 1.026 -18.652 1.00 0.00 C ATOM 676 O ASN A 101 72.692 0.593 -17.714 1.00 0.00 O ATOM 677 CB ASN A 101 72.971 3.333 -18.593 1.00 0.00 C ATOM 678 CG ASN A 101 72.750 4.756 -19.099 1.00 0.00 C ATOM 679 OD1 ASN A 101 72.691 4.983 -20.306 1.00 0.00 O ATOM 680 ND2 ASN A 101 72.636 5.734 -18.243 1.00 0.00 N ATOM 0 H ASN A 101 71.070 2.918 -16.786 1.00 0.00 H new ATOM 0 HA ASN A 101 71.254 2.712 -19.734 1.00 0.00 H new ATOM 0 HB2 ASN A 101 73.269 3.354 -17.545 1.00 0.00 H new ATOM 0 HB3 ASN A 101 73.785 2.864 -19.146 1.00 0.00 H new ATOM 0 HD21 ASN A 101 72.498 6.689 -18.575 1.00 0.00 H new ATOM 0 HD22 ASN A 101 72.685 5.544 -17.242 1.00 0.00 H new ATOM 687 N SER A 102 71.555 0.252 -19.626 1.00 0.00 N ATOM 688 CA SER A 102 71.810 -1.184 -19.641 1.00 0.00 C ATOM 689 C SER A 102 73.303 -1.466 -19.779 1.00 0.00 C ATOM 690 O SER A 102 73.834 -2.374 -19.140 1.00 0.00 O ATOM 691 CB SER A 102 71.056 -1.835 -20.799 1.00 0.00 C ATOM 692 OG SER A 102 69.657 -1.727 -20.569 1.00 0.00 O ATOM 0 H SER A 102 71.000 0.593 -20.411 1.00 0.00 H new ATOM 0 HA SER A 102 71.461 -1.604 -18.698 1.00 0.00 H new ATOM 0 HB2 SER A 102 71.320 -1.350 -21.739 1.00 0.00 H new ATOM 0 HB3 SER A 102 71.341 -2.883 -20.890 1.00 0.00 H new ATOM 0 HG SER A 102 69.170 -2.142 -21.311 1.00 0.00 H new ATOM 698 N SER A 103 73.972 -0.686 -20.623 1.00 0.00 N ATOM 699 CA SER A 103 75.404 -0.868 -20.841 1.00 0.00 C ATOM 700 C SER A 103 76.176 -0.629 -19.548 1.00 0.00 C ATOM 701 O SER A 103 77.152 -1.321 -19.259 1.00 0.00 O ATOM 702 CB SER A 103 75.891 0.109 -21.911 1.00 0.00 C ATOM 703 OG SER A 103 75.703 1.441 -21.450 1.00 0.00 O ATOM 0 H SER A 103 73.551 0.071 -21.162 1.00 0.00 H new ATOM 0 HA SER A 103 75.578 -1.892 -21.172 1.00 0.00 H new ATOM 0 HB2 SER A 103 76.944 -0.068 -22.129 1.00 0.00 H new ATOM 0 HB3 SER A 103 75.343 -0.048 -22.840 1.00 0.00 H new ATOM 0 HG SER A 103 76.016 2.071 -22.133 1.00 0.00 H new ATOM 709 N GLY A 104 75.731 0.354 -18.776 1.00 0.00 N ATOM 710 CA GLY A 104 76.381 0.683 -17.513 1.00 0.00 C ATOM 711 C GLY A 104 77.500 1.704 -17.715 1.00 0.00 C ATOM 712 O GLY A 104 78.008 2.274 -16.749 1.00 0.00 O ATOM 0 H GLY A 104 74.925 0.937 -19.001 1.00 0.00 H new ATOM 0 HA2 GLY A 104 75.644 1.081 -16.815 1.00 0.00 H new ATOM 0 HA3 GLY A 104 76.789 -0.223 -17.064 1.00 0.00 H new ATOM 716 N ASP A 105 77.878 1.938 -18.971 1.00 0.00 N ATOM 717 CA ASP A 105 78.934 2.897 -19.271 1.00 0.00 C ATOM 718 C ASP A 105 78.512 4.304 -18.860 1.00 0.00 C ATOM 719 O ASP A 105 79.318 5.078 -18.343 1.00 0.00 O ATOM 720 CB ASP A 105 79.254 2.871 -20.768 1.00 0.00 C ATOM 721 CG ASP A 105 79.974 1.574 -21.122 1.00 0.00 C ATOM 722 OD1 ASP A 105 80.408 0.892 -20.208 1.00 0.00 O ATOM 723 OD2 ASP A 105 80.082 1.283 -22.301 1.00 0.00 O ATOM 0 H ASP A 105 77.472 1.481 -19.788 1.00 0.00 H new ATOM 0 HA ASP A 105 79.824 2.619 -18.706 1.00 0.00 H new ATOM 0 HB2 ASP A 105 78.334 2.956 -21.347 1.00 0.00 H new ATOM 0 HB3 ASP A 105 79.877 3.726 -21.031 1.00 0.00 H new ATOM 728 N GLY A 106 77.245 4.627 -19.098 1.00 0.00 N ATOM 729 CA GLY A 106 76.723 5.944 -18.753 1.00 0.00 C ATOM 730 C GLY A 106 75.625 6.363 -19.725 1.00 0.00 C ATOM 731 O GLY A 106 75.139 5.552 -20.514 1.00 0.00 O ATOM 0 H GLY A 106 76.564 3.999 -19.526 1.00 0.00 H new ATOM 0 HA2 GLY A 106 76.329 5.929 -17.737 1.00 0.00 H new ATOM 0 HA3 GLY A 106 77.530 6.676 -18.771 1.00 0.00 H new ATOM 735 N GLY A 107 75.238 7.633 -19.663 1.00 0.00 N ATOM 736 CA GLY A 107 74.197 8.149 -20.544 1.00 0.00 C ATOM 737 C GLY A 107 74.168 9.674 -20.518 1.00 0.00 C ATOM 738 O GLY A 107 74.863 10.303 -19.721 1.00 0.00 O ATOM 0 H GLY A 107 75.627 8.320 -19.016 1.00 0.00 H new ATOM 0 HA2 GLY A 107 74.372 7.802 -21.562 1.00 0.00 H new ATOM 0 HA3 GLY A 107 73.227 7.758 -20.236 1.00 0.00 H new ATOM 742 N ALA A 108 73.362 10.262 -21.397 1.00 0.00 N ATOM 743 CA ALA A 108 73.255 11.715 -21.468 1.00 0.00 C ATOM 744 C ALA A 108 72.735 12.283 -20.150 1.00 0.00 C ATOM 745 O ALA A 108 73.196 13.328 -19.690 1.00 0.00 O ATOM 746 CB ALA A 108 72.312 12.114 -22.605 1.00 0.00 C ATOM 0 H ALA A 108 72.778 9.759 -22.065 1.00 0.00 H new ATOM 0 HA ALA A 108 74.248 12.123 -21.658 1.00 0.00 H new ATOM 0 HB1 ALA A 108 72.237 13.200 -22.651 1.00 0.00 H new ATOM 0 HB2 ALA A 108 72.702 11.736 -23.550 1.00 0.00 H new ATOM 0 HB3 ALA A 108 71.324 11.690 -22.424 1.00 0.00 H new ATOM 752 N ALA A 109 71.771 11.593 -19.550 1.00 0.00 N ATOM 753 CA ALA A 109 71.193 12.042 -18.288 1.00 0.00 C ATOM 754 C ALA A 109 71.554 11.083 -17.159 1.00 0.00 C ATOM 755 O ALA A 109 71.624 9.870 -17.360 1.00 0.00 O ATOM 756 CB ALA A 109 69.671 12.135 -18.414 1.00 0.00 C ATOM 0 H ALA A 109 71.375 10.726 -19.914 1.00 0.00 H new ATOM 0 HA ALA A 109 71.600 13.026 -18.056 1.00 0.00 H new ATOM 0 HB1 ALA A 109 69.247 12.471 -17.467 1.00 0.00 H new ATOM 0 HB2 ALA A 109 69.414 12.846 -19.199 1.00 0.00 H new ATOM 0 HB3 ALA A 109 69.266 11.155 -18.665 1.00 0.00 H new ATOM 762 N GLY A 110 71.785 11.634 -15.972 1.00 0.00 N ATOM 763 CA GLY A 110 72.139 10.819 -14.820 1.00 0.00 C ATOM 764 C GLY A 110 73.637 10.872 -14.556 1.00 0.00 C ATOM 765 O GLY A 110 74.392 11.473 -15.321 1.00 0.00 O ATOM 0 H GLY A 110 71.733 12.635 -15.785 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.598 11.170 -13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.832 9.787 -14.992 1.00 0.00 H new ATOM 769 N ASP A 111 74.047 10.245 -13.460 1.00 0.00 N ATOM 770 CA ASP A 111 75.456 10.218 -13.070 1.00 0.00 C ATOM 771 C ASP A 111 75.922 11.602 -12.651 1.00 0.00 C ATOM 772 O ASP A 111 76.642 12.278 -13.385 1.00 0.00 O ATOM 773 CB ASP A 111 76.328 9.692 -14.216 1.00 0.00 C ATOM 774 CG ASP A 111 77.740 9.417 -13.708 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.878 8.602 -12.811 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.663 10.027 -14.222 1.00 0.00 O ATOM 0 H ASP A 111 73.425 9.747 -12.823 1.00 0.00 H new ATOM 0 HA ASP A 111 75.557 9.543 -12.220 1.00 0.00 H new ATOM 0 HB2 ASP A 111 75.895 8.779 -14.625 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.359 10.421 -15.026 1.00 0.00 H new ATOM 781 N GLY A 112 75.484 12.025 -11.468 1.00 0.00 N ATOM 782 CA GLY A 112 75.839 13.342 -10.962 1.00 0.00 C ATOM 783 C GLY A 112 74.670 14.301 -11.123 1.00 0.00 C ATOM 784 O GLY A 112 74.653 15.385 -10.538 1.00 0.00 O ATOM 0 H GLY A 112 74.887 11.477 -10.848 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.119 13.272 -9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.708 13.723 -11.499 1.00 0.00 H new ATOM 788 N THR A 113 73.689 13.884 -11.912 1.00 0.00 N ATOM 789 CA THR A 113 72.511 14.688 -12.142 1.00 0.00 C ATOM 790 C THR A 113 71.284 13.989 -11.562 1.00 0.00 C ATOM 791 O THR A 113 71.220 13.756 -10.359 1.00 0.00 O ATOM 792 CB THR A 113 72.361 14.993 -13.638 1.00 0.00 C ATOM 793 OG1 THR A 113 72.268 13.774 -14.361 1.00 0.00 O ATOM 794 CG2 THR A 113 73.574 15.789 -14.125 1.00 0.00 C ATOM 0 H THR A 113 73.692 12.989 -12.402 1.00 0.00 H new ATOM 0 HA THR A 113 72.612 15.645 -11.630 1.00 0.00 H new ATOM 0 HB THR A 113 71.458 15.581 -13.800 1.00 0.00 H new ATOM 0 HG1 THR A 113 73.004 13.719 -15.006 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.465 16.004 -15.188 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.642 16.725 -13.570 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.481 15.206 -13.964 1.00 0.00 H new ATOM 802 N VAL A 114 70.313 13.660 -12.396 1.00 0.00 N ATOM 803 CA VAL A 114 69.114 13.005 -11.908 1.00 0.00 C ATOM 804 C VAL A 114 69.472 11.664 -11.276 1.00 0.00 C ATOM 805 O VAL A 114 70.361 10.962 -11.757 1.00 0.00 O ATOM 806 CB VAL A 114 68.146 12.803 -13.071 1.00 0.00 C ATOM 807 CG1 VAL A 114 68.039 14.098 -13.882 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.661 11.689 -13.978 1.00 0.00 C ATOM 0 H VAL A 114 70.330 13.833 -13.401 1.00 0.00 H new ATOM 0 HA VAL A 114 68.640 13.627 -11.149 1.00 0.00 H new ATOM 0 HB VAL A 114 67.166 12.534 -12.678 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.347 13.952 -14.712 1.00 0.00 H new ATOM 0 HG12 VAL A 114 67.672 14.900 -13.241 1.00 0.00 H new ATOM 0 HG13 VAL A 114 69.021 14.366 -14.271 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.969 11.546 -14.808 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.642 11.961 -14.367 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.740 10.763 -13.408 1.00 0.00 H new ATOM 818 N VAL A 115 68.790 11.328 -10.185 1.00 0.00 N ATOM 819 CA VAL A 115 69.060 10.083 -9.477 1.00 0.00 C ATOM 820 C VAL A 115 67.940 9.078 -9.690 1.00 0.00 C ATOM 821 O VAL A 115 66.761 9.414 -9.583 1.00 0.00 O ATOM 822 CB VAL A 115 69.222 10.351 -7.986 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.523 9.039 -7.260 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.373 11.336 -7.767 1.00 0.00 C ATOM 0 H VAL A 115 68.050 11.898 -9.774 1.00 0.00 H new ATOM 0 HA VAL A 115 69.984 9.665 -9.877 1.00 0.00 H new ATOM 0 HB VAL A 115 68.300 10.778 -7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.639 9.232 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.701 8.340 -7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.444 8.609 -7.653 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.489 11.528 -6.700 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.296 10.911 -8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.155 12.271 -8.282 1.00 0.00 H new ATOM 834 N ASP A 116 68.317 7.839 -9.987 1.00 0.00 N ATOM 835 CA ASP A 116 67.319 6.798 -10.208 1.00 0.00 C ATOM 836 C ASP A 116 66.831 6.243 -8.890 1.00 0.00 C ATOM 837 O ASP A 116 67.541 5.537 -8.179 1.00 0.00 O ATOM 838 CB ASP A 116 67.877 5.678 -11.080 1.00 0.00 C ATOM 839 CG ASP A 116 66.838 4.572 -11.240 1.00 0.00 C ATOM 840 OD1 ASP A 116 66.849 3.652 -10.437 1.00 0.00 O ATOM 841 OD2 ASP A 116 66.045 4.662 -12.163 1.00 0.00 O ATOM 0 H ASP A 116 69.286 7.534 -10.079 1.00 0.00 H new ATOM 0 HA ASP A 116 66.476 7.248 -10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.154 6.072 -12.058 1.00 0.00 H new ATOM 0 HB3 ASP A 116 68.784 5.274 -10.630 1.00 0.00 H new ATOM 846 N CYS A 117 65.603 6.587 -8.581 1.00 0.00 N ATOM 847 CA CYS A 117 64.981 6.163 -7.351 1.00 0.00 C ATOM 848 C CYS A 117 64.144 4.911 -7.600 1.00 0.00 C ATOM 849 O CYS A 117 63.369 4.875 -8.535 1.00 0.00 O ATOM 850 CB CYS A 117 64.082 7.286 -6.861 1.00 0.00 C ATOM 851 SG CYS A 117 63.474 6.897 -5.204 1.00 0.00 S ATOM 0 H CYS A 117 65.009 7.167 -9.174 1.00 0.00 H new ATOM 0 HA CYS A 117 65.743 5.934 -6.605 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.633 8.226 -6.846 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.244 7.419 -7.545 1.00 0.00 H new ATOM 856 N PRO A 118 64.259 3.887 -6.812 1.00 0.00 N ATOM 857 CA PRO A 118 63.453 2.655 -7.033 1.00 0.00 C ATOM 858 C PRO A 118 61.948 2.918 -6.995 1.00 0.00 C ATOM 859 O PRO A 118 61.153 2.056 -7.369 1.00 0.00 O ATOM 860 CB PRO A 118 63.877 1.716 -5.909 1.00 0.00 C ATOM 861 CG PRO A 118 64.538 2.583 -4.889 1.00 0.00 C ATOM 862 CD PRO A 118 65.138 3.764 -5.644 1.00 0.00 C ATOM 0 HA PRO A 118 63.633 2.237 -8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.016 1.198 -5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.561 0.950 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.818 2.924 -4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.311 2.032 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.137 4.672 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.171 3.575 -5.934 1.00 0.00 H new ATOM 870 N VAL A 119 61.559 4.103 -6.537 1.00 0.00 N ATOM 871 CA VAL A 119 60.145 4.438 -6.457 1.00 0.00 C ATOM 872 C VAL A 119 59.664 5.149 -7.725 1.00 0.00 C ATOM 873 O VAL A 119 58.788 4.644 -8.428 1.00 0.00 O ATOM 874 CB VAL A 119 59.907 5.326 -5.240 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.403 5.520 -5.035 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.519 4.660 -4.002 1.00 0.00 C ATOM 0 H VAL A 119 62.193 4.837 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 119 59.577 3.513 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 119 60.374 6.298 -5.397 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.233 6.155 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 119 57.973 5.992 -5.918 1.00 0.00 H new ATOM 0 HG13 VAL A 119 57.930 4.551 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.352 5.291 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.051 3.689 -3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.590 4.526 -4.153 1.00 0.00 H new ATOM 886 N CYS A 120 60.237 6.317 -8.019 1.00 0.00 N ATOM 887 CA CYS A 120 59.844 7.067 -9.214 1.00 0.00 C ATOM 888 C CYS A 120 60.830 6.826 -10.356 1.00 0.00 C ATOM 889 O CYS A 120 60.478 6.935 -11.529 1.00 0.00 O ATOM 890 CB CYS A 120 59.765 8.564 -8.895 1.00 0.00 C ATOM 891 SG CYS A 120 61.298 9.106 -8.095 1.00 0.00 S ATOM 0 H CYS A 120 60.964 6.759 -7.456 1.00 0.00 H new ATOM 0 HA CYS A 120 58.861 6.717 -9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.602 9.132 -9.811 1.00 0.00 H new ATOM 0 HB3 CYS A 120 58.915 8.761 -8.242 1.00 0.00 H new ATOM 896 N LYS A 121 62.060 6.476 -9.998 1.00 0.00 N ATOM 897 CA LYS A 121 63.096 6.191 -10.986 1.00 0.00 C ATOM 898 C LYS A 121 63.284 7.370 -11.940 1.00 0.00 C ATOM 899 O LYS A 121 63.617 7.190 -13.112 1.00 0.00 O ATOM 900 CB LYS A 121 62.723 4.916 -11.764 1.00 0.00 C ATOM 901 CG LYS A 121 63.442 3.691 -11.174 1.00 0.00 C ATOM 902 CD LYS A 121 62.443 2.775 -10.457 1.00 0.00 C ATOM 903 CE LYS A 121 63.040 1.374 -10.358 1.00 0.00 C ATOM 904 NZ LYS A 121 62.143 0.502 -9.545 1.00 0.00 N ATOM 0 H LYS A 121 62.365 6.382 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 121 64.043 6.033 -10.469 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.644 4.764 -11.727 1.00 0.00 H new ATOM 0 HB3 LYS A 121 62.993 5.032 -12.814 1.00 0.00 H new ATOM 0 HG2 LYS A 121 63.944 3.139 -11.969 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.213 4.016 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.223 3.162 -9.462 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.500 2.745 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.168 0.952 -11.355 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.029 1.421 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.675 -0.325 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 61.784 1.038 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.344 0.185 -10.130 1.00 0.00 H new ATOM 918 N GLN A 122 63.085 8.580 -11.428 1.00 0.00 N ATOM 919 CA GLN A 122 63.251 9.777 -12.246 1.00 0.00 C ATOM 920 C GLN A 122 63.328 11.030 -11.375 1.00 0.00 C ATOM 921 O GLN A 122 62.563 11.183 -10.423 1.00 0.00 O ATOM 922 CB GLN A 122 62.086 9.906 -13.222 1.00 0.00 C ATOM 923 CG GLN A 122 62.335 11.087 -14.160 1.00 0.00 C ATOM 924 CD GLN A 122 61.216 11.160 -15.194 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.313 10.322 -15.192 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.218 12.114 -16.083 1.00 0.00 N ATOM 0 H GLN A 122 62.812 8.758 -10.462 1.00 0.00 H new ATOM 0 HA GLN A 122 64.185 9.682 -12.800 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.977 8.987 -13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.154 10.052 -12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.379 12.015 -13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.298 10.973 -14.658 1.00 0.00 H new ATOM 0 HE21 GLN A 122 61.966 12.808 -16.085 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.472 12.166 -16.777 1.00 0.00 H new ATOM 935 N GLN A 123 64.248 11.928 -11.714 1.00 0.00 N ATOM 936 CA GLN A 123 64.403 13.169 -10.962 1.00 0.00 C ATOM 937 C GLN A 123 64.779 14.318 -11.883 1.00 0.00 C ATOM 938 O GLN A 123 65.531 14.136 -12.825 1.00 0.00 O ATOM 939 CB GLN A 123 65.474 13.000 -9.878 1.00 0.00 C ATOM 940 CG GLN A 123 64.808 12.782 -8.517 1.00 0.00 C ATOM 941 CD GLN A 123 63.950 13.994 -8.159 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.851 13.844 -7.627 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.385 15.194 -8.436 1.00 0.00 N ATOM 0 H GLN A 123 64.892 11.822 -12.497 1.00 0.00 H new ATOM 0 HA GLN A 123 63.448 13.402 -10.491 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.116 12.153 -10.118 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.111 13.884 -9.843 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.191 11.884 -8.544 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.568 12.624 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.296 15.317 -8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.813 16.008 -8.211 1.00 0.00 H new ATOM 952 N CYS A 124 64.241 15.504 -11.618 1.00 0.00 N ATOM 953 CA CYS A 124 64.551 16.659 -12.451 1.00 0.00 C ATOM 954 C CYS A 124 65.992 17.123 -12.231 1.00 0.00 C ATOM 955 O CYS A 124 66.713 17.417 -13.185 1.00 0.00 O ATOM 956 CB CYS A 124 63.599 17.809 -12.120 1.00 0.00 C ATOM 957 SG CYS A 124 61.932 17.398 -12.691 1.00 0.00 S ATOM 0 H CYS A 124 63.599 15.689 -10.847 1.00 0.00 H new ATOM 0 HA CYS A 124 64.432 16.365 -13.494 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.592 17.991 -11.045 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.942 18.727 -12.597 1.00 0.00 H new ATOM 0 HG CYS A 124 61.123 18.375 -12.407 1.00 0.00 H new ATOM 963 N PHE A 125 66.398 17.189 -10.965 1.00 0.00 N ATOM 964 CA PHE A 125 67.750 17.626 -10.617 1.00 0.00 C ATOM 965 C PHE A 125 68.259 16.878 -9.396 1.00 0.00 C ATOM 966 O PHE A 125 67.541 16.069 -8.808 1.00 0.00 O ATOM 967 CB PHE A 125 67.765 19.121 -10.316 1.00 0.00 C ATOM 968 CG PHE A 125 67.079 19.868 -11.434 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.789 20.378 -11.246 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.731 20.047 -12.660 1.00 0.00 C ATOM 971 CE1 PHE A 125 65.151 21.068 -12.284 1.00 0.00 C ATOM 972 CE2 PHE A 125 67.094 20.736 -13.697 1.00 0.00 C ATOM 973 CZ PHE A 125 65.803 21.248 -13.509 1.00 0.00 C ATOM 0 H PHE A 125 65.813 16.947 -10.165 1.00 0.00 H new ATOM 0 HA PHE A 125 68.397 17.415 -11.469 1.00 0.00 H new ATOM 0 HB2 PHE A 125 67.260 19.317 -9.370 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.792 19.470 -10.208 1.00 0.00 H new ATOM 0 HD1 PHE A 125 65.286 20.239 -10.300 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.726 19.653 -12.805 1.00 0.00 H new ATOM 0 HE1 PHE A 125 64.156 21.461 -12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.597 20.874 -14.643 1.00 0.00 H new ATOM 0 HZ PHE A 125 65.312 21.781 -14.309 1.00 0.00 H new ATOM 983 N SER A 126 69.499 17.167 -9.011 1.00 0.00 N ATOM 984 CA SER A 126 70.089 16.527 -7.845 1.00 0.00 C ATOM 985 C SER A 126 70.497 17.557 -6.784 1.00 0.00 C ATOM 986 O SER A 126 71.608 17.532 -6.259 1.00 0.00 O ATOM 987 CB SER A 126 71.294 15.692 -8.265 1.00 0.00 C ATOM 988 OG SER A 126 71.736 16.111 -9.548 1.00 0.00 O ATOM 0 H SER A 126 70.108 17.834 -9.486 1.00 0.00 H new ATOM 0 HA SER A 126 69.337 15.875 -7.400 1.00 0.00 H new ATOM 0 HB2 SER A 126 72.098 15.803 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.028 14.635 -8.287 1.00 0.00 H new ATOM 0 HG SER A 126 72.702 16.273 -9.524 1.00 0.00 H new ATOM 994 N LYS A 127 69.582 18.459 -6.468 1.00 0.00 N ATOM 995 CA LYS A 127 69.851 19.485 -5.461 1.00 0.00 C ATOM 996 C LYS A 127 69.520 18.983 -4.055 1.00 0.00 C ATOM 997 O LYS A 127 70.131 19.416 -3.077 1.00 0.00 O ATOM 998 CB LYS A 127 69.037 20.740 -5.758 1.00 0.00 C ATOM 999 CG LYS A 127 69.405 21.301 -7.139 1.00 0.00 C ATOM 1000 CD LYS A 127 70.852 21.807 -7.130 1.00 0.00 C ATOM 1001 CE LYS A 127 71.179 22.439 -8.486 1.00 0.00 C ATOM 1002 NZ LYS A 127 72.585 22.932 -8.476 1.00 0.00 N ATOM 0 H LYS A 127 68.653 18.506 -6.887 1.00 0.00 H new ATOM 0 HA LYS A 127 70.914 19.721 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 127 67.973 20.507 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 127 69.223 21.492 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.286 20.528 -7.898 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.728 22.114 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 127 70.988 22.538 -6.333 1.00 0.00 H new ATOM 0 HD3 LYS A 127 71.536 20.983 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 127 71.044 21.707 -9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 127 70.495 23.262 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 72.809 23.362 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 72.698 23.643 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 73.231 22.136 -8.299 1.00 0.00 H new ATOM 1016 N ASP A 128 68.549 18.078 -3.955 1.00 0.00 N ATOM 1017 CA ASP A 128 68.152 17.542 -2.656 1.00 0.00 C ATOM 1018 C ASP A 128 68.696 16.130 -2.446 1.00 0.00 C ATOM 1019 O ASP A 128 68.190 15.375 -1.618 1.00 0.00 O ATOM 1020 CB ASP A 128 66.631 17.536 -2.531 1.00 0.00 C ATOM 1021 CG ASP A 128 66.112 18.962 -2.394 1.00 0.00 C ATOM 1022 OD1 ASP A 128 66.917 19.841 -2.132 1.00 0.00 O ATOM 1023 OD2 ASP A 128 64.919 19.157 -2.555 1.00 0.00 O ATOM 0 H ASP A 128 68.028 17.704 -4.748 1.00 0.00 H new ATOM 0 HA ASP A 128 68.576 18.187 -1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.188 17.062 -3.407 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.332 16.947 -1.664 1.00 0.00 H new ATOM 1028 N ILE A 129 69.729 15.777 -3.195 1.00 0.00 N ATOM 1029 CA ILE A 129 70.335 14.459 -3.061 1.00 0.00 C ATOM 1030 C ILE A 129 70.917 14.295 -1.663 1.00 0.00 C ATOM 1031 O ILE A 129 70.632 15.107 -0.781 1.00 0.00 O ATOM 1032 CB ILE A 129 71.434 14.268 -4.105 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.431 15.428 -4.017 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.810 14.213 -5.493 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.635 15.143 -4.917 1.00 0.00 C ATOM 0 H ILE A 129 70.163 16.377 -3.896 1.00 0.00 H new ATOM 0 HA ILE A 129 69.565 13.704 -3.221 1.00 0.00 H new ATOM 0 HB ILE A 129 71.962 13.333 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.950 16.358 -4.321 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.759 15.561 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.593 14.077 -6.239 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.111 13.379 -5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.279 15.144 -5.690 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.342 15.970 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.122 14.223 -4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.300 15.032 -5.948 1.00 0.00 H new ATOM 1047 N VAL A 130 71.714 13.234 -1.477 1.00 0.00 N ATOM 1048 CA VAL A 130 72.338 12.947 -0.188 1.00 0.00 C ATOM 1049 C VAL A 130 72.711 14.231 0.515 1.00 0.00 C ATOM 1050 O VAL A 130 73.526 14.995 0.009 1.00 0.00 O ATOM 1051 CB VAL A 130 73.604 12.108 -0.392 1.00 0.00 C ATOM 1052 CG1 VAL A 130 74.256 12.466 -1.731 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.601 12.386 0.740 1.00 0.00 C ATOM 0 H VAL A 130 71.939 12.561 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 130 71.623 12.394 0.421 1.00 0.00 H new ATOM 0 HB VAL A 130 73.330 11.053 -0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 130 75.155 11.866 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 130 73.556 12.264 -2.542 1.00 0.00 H new ATOM 0 HG13 VAL A 130 74.521 13.523 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.499 11.787 0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 130 74.866 13.443 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.147 12.126 1.696 1.00 0.00 H new ATOM 1063 N GLU A 131 72.074 14.446 1.666 1.00 0.00 N ATOM 1064 CA GLU A 131 72.271 15.640 2.487 1.00 0.00 C ATOM 1065 C GLU A 131 71.117 15.801 3.452 1.00 0.00 C ATOM 1066 O GLU A 131 71.273 16.336 4.550 1.00 0.00 O ATOM 1067 CB GLU A 131 72.295 16.893 1.622 1.00 0.00 C ATOM 1068 CG GLU A 131 73.738 17.359 1.452 1.00 0.00 C ATOM 1069 CD GLU A 131 73.869 18.227 0.206 1.00 0.00 C ATOM 1070 OE1 GLU A 131 72.882 18.835 -0.175 1.00 0.00 O ATOM 1071 OE2 GLU A 131 74.953 18.269 -0.350 1.00 0.00 O ATOM 0 H GLU A 131 71.400 13.789 2.058 1.00 0.00 H new ATOM 0 HA GLU A 131 73.217 15.519 3.015 1.00 0.00 H new ATOM 0 HB2 GLU A 131 71.850 16.686 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 131 71.698 17.680 2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.052 17.922 2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.399 16.496 1.374 1.00 0.00 H new ATOM 1078 N ASN A 132 69.945 15.376 3.009 1.00 0.00 N ATOM 1079 CA ASN A 132 68.753 15.522 3.814 1.00 0.00 C ATOM 1080 C ASN A 132 68.596 14.356 4.785 1.00 0.00 C ATOM 1081 O ASN A 132 67.605 13.628 4.748 1.00 0.00 O ATOM 1082 CB ASN A 132 67.540 15.613 2.895 1.00 0.00 C ATOM 1083 CG ASN A 132 67.735 16.761 1.912 1.00 0.00 C ATOM 1084 OD1 ASN A 132 67.490 17.919 2.252 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.194 16.514 0.717 1.00 0.00 N ATOM 0 H ASN A 132 69.798 14.931 2.103 1.00 0.00 H new ATOM 0 HA ASN A 132 68.837 16.434 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.408 14.676 2.355 1.00 0.00 H new ATOM 0 HB3 ASN A 132 66.636 15.772 3.483 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.351 17.280 0.062 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.397 15.554 0.437 1.00 0.00 H new ATOM 1092 N TYR A 133 69.584 14.191 5.655 1.00 0.00 N ATOM 1093 CA TYR A 133 69.565 13.130 6.632 1.00 0.00 C ATOM 1094 C TYR A 133 69.054 13.648 7.972 1.00 0.00 C ATOM 1095 O TYR A 133 69.425 13.135 9.027 1.00 0.00 O ATOM 1096 CB TYR A 133 70.974 12.566 6.799 1.00 0.00 C ATOM 1097 CG TYR A 133 71.936 13.661 7.192 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.106 13.970 8.539 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.665 14.356 6.216 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.001 14.975 8.925 1.00 0.00 C ATOM 1101 CE2 TYR A 133 73.560 15.364 6.599 1.00 0.00 C ATOM 1102 CZ TYR A 133 73.728 15.674 7.954 1.00 0.00 C ATOM 1103 OH TYR A 133 74.610 16.665 8.333 1.00 0.00 O ATOM 0 H TYR A 133 70.411 14.787 5.697 1.00 0.00 H new ATOM 0 HA TYR A 133 68.895 12.343 6.285 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.972 11.785 7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.300 12.104 5.867 1.00 0.00 H new ATOM 0 HD1 TYR A 133 71.545 13.432 9.289 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.537 14.115 5.171 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.130 15.211 9.971 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.120 15.902 5.849 1.00 0.00 H new ATOM 0 HH TYR A 133 75.033 17.049 7.537 1.00 0.00 H new ATOM 1113 N PHE A 134 68.208 14.670 7.920 1.00 0.00 N ATOM 1114 CA PHE A 134 67.661 15.251 9.140 1.00 0.00 C ATOM 1115 C PHE A 134 66.891 14.202 9.933 1.00 0.00 C ATOM 1116 O PHE A 134 67.084 14.060 11.141 1.00 0.00 O ATOM 1117 CB PHE A 134 66.736 16.422 8.807 1.00 0.00 C ATOM 1118 CG PHE A 134 66.146 16.973 10.079 1.00 0.00 C ATOM 1119 CD1 PHE A 134 66.879 17.885 10.834 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.875 16.571 10.507 1.00 0.00 C ATOM 1121 CE1 PHE A 134 66.350 18.403 12.021 1.00 0.00 C ATOM 1122 CE2 PHE A 134 64.341 17.087 11.693 1.00 0.00 C ATOM 1123 CZ PHE A 134 65.079 18.004 12.452 1.00 0.00 C ATOM 0 H PHE A 134 67.889 15.109 7.057 1.00 0.00 H new ATOM 0 HA PHE A 134 68.492 15.614 9.744 1.00 0.00 H new ATOM 0 HB2 PHE A 134 67.291 17.201 8.284 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.941 16.093 8.138 1.00 0.00 H new ATOM 0 HD1 PHE A 134 67.859 18.194 10.502 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.307 15.863 9.922 1.00 0.00 H new ATOM 0 HE1 PHE A 134 66.921 19.110 12.604 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.360 16.778 12.023 1.00 0.00 H new ATOM 0 HZ PHE A 134 64.668 18.403 13.368 1.00 0.00 H new ATOM 1133 N MET A 135 66.021 13.467 9.251 1.00 0.00 N ATOM 1134 CA MET A 135 65.233 12.436 9.914 1.00 0.00 C ATOM 1135 C MET A 135 66.061 11.179 10.133 1.00 0.00 C ATOM 1136 O MET A 135 66.569 10.577 9.188 1.00 0.00 O ATOM 1137 CB MET A 135 63.997 12.094 9.086 1.00 0.00 C ATOM 1138 CG MET A 135 62.778 12.782 9.698 1.00 0.00 C ATOM 1139 SD MET A 135 62.402 12.024 11.299 1.00 0.00 S ATOM 1140 CE MET A 135 61.793 13.517 12.119 1.00 0.00 C ATOM 0 H MET A 135 65.845 13.564 8.251 1.00 0.00 H new ATOM 0 HA MET A 135 64.920 12.825 10.883 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.134 12.419 8.055 1.00 0.00 H new ATOM 0 HB3 MET A 135 63.847 11.015 9.063 1.00 0.00 H new ATOM 0 HG2 MET A 135 62.973 13.847 9.824 1.00 0.00 H new ATOM 0 HG3 MET A 135 61.922 12.691 9.030 1.00 0.00 H new ATOM 0 HE1 MET A 135 61.499 13.277 13.141 1.00 0.00 H new ATOM 0 HE2 MET A 135 62.581 14.270 12.136 1.00 0.00 H new ATOM 0 HE3 MET A 135 60.932 13.905 11.575 1.00 0.00 H new ATOM 1150 N ARG A 136 66.185 10.793 11.395 1.00 0.00 N ATOM 1151 CA ARG A 136 66.942 9.609 11.760 1.00 0.00 C ATOM 1152 C ARG A 136 66.415 9.029 13.068 1.00 0.00 C ATOM 1153 O ARG A 136 66.675 9.567 14.143 1.00 0.00 O ATOM 1154 CB ARG A 136 68.410 9.968 11.920 1.00 0.00 C ATOM 1155 CG ARG A 136 69.031 10.188 10.543 1.00 0.00 C ATOM 1156 CD ARG A 136 70.537 10.337 10.702 1.00 0.00 C ATOM 1157 NE ARG A 136 70.855 11.605 11.359 1.00 0.00 N ATOM 1158 CZ ARG A 136 71.106 11.690 12.671 1.00 0.00 C ATOM 1159 NH1 ARG A 136 71.017 10.642 13.453 1.00 0.00 N ATOM 1160 NH2 ARG A 136 71.453 12.842 13.178 1.00 0.00 N ATOM 0 H ARG A 136 65.768 11.286 12.185 1.00 0.00 H new ATOM 0 HA ARG A 136 66.832 8.865 10.971 1.00 0.00 H new ATOM 0 HB2 ARG A 136 68.512 10.869 12.525 1.00 0.00 H new ATOM 0 HB3 ARG A 136 68.936 9.170 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 136 68.802 9.348 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 136 68.611 11.079 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 136 70.932 9.507 11.288 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.019 10.295 9.725 1.00 0.00 H new ATOM 0 HE ARG A 136 70.887 12.455 10.797 1.00 0.00 H new ATOM 0 HH11 ARG A 136 70.752 9.737 13.065 1.00 0.00 H new ATOM 0 HH12 ARG A 136 71.213 10.731 14.450 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.530 13.662 12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 136 71.647 12.922 14.176 1.00 0.00 H new ATOM 1174 N ASP A 137 65.672 7.936 12.971 1.00 0.00 N ATOM 1175 CA ASP A 137 65.115 7.304 14.161 1.00 0.00 C ATOM 1176 C ASP A 137 65.821 5.989 14.466 1.00 0.00 C ATOM 1177 O ASP A 137 66.712 5.941 15.316 1.00 0.00 O ATOM 1178 CB ASP A 137 63.624 7.053 13.959 1.00 0.00 C ATOM 1179 CG ASP A 137 62.853 8.364 14.075 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.440 9.336 14.519 1.00 0.00 O ATOM 1181 OD2 ASP A 137 61.688 8.379 13.714 1.00 0.00 O ATOM 0 H ASP A 137 65.442 7.472 12.092 1.00 0.00 H new ATOM 0 HA ASP A 137 65.264 7.975 15.007 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.452 6.606 12.980 1.00 0.00 H new ATOM 0 HB3 ASP A 137 63.263 6.342 14.702 1.00 0.00 H new ATOM 1186 N SER A 138 65.422 4.930 13.761 1.00 0.00 N ATOM 1187 CA SER A 138 66.018 3.613 13.946 1.00 0.00 C ATOM 1188 C SER A 138 66.217 3.296 15.427 1.00 0.00 C ATOM 1189 O SER A 138 67.316 3.443 15.962 1.00 0.00 O ATOM 1190 CB SER A 138 67.356 3.561 13.220 1.00 0.00 C ATOM 1191 OG SER A 138 68.129 4.696 13.584 1.00 0.00 O ATOM 0 H SER A 138 64.686 4.962 13.055 1.00 0.00 H new ATOM 0 HA SER A 138 65.341 2.865 13.533 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.888 2.646 13.478 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.198 3.544 12.142 1.00 0.00 H new ATOM 0 HG SER A 138 68.064 4.840 14.551 1.00 0.00 H new ATOM 1197 N GLY A 139 65.145 2.870 16.086 1.00 0.00 N ATOM 1198 CA GLY A 139 65.219 2.542 17.503 1.00 0.00 C ATOM 1199 C GLY A 139 65.480 3.795 18.328 1.00 0.00 C ATOM 1200 O GLY A 139 66.008 3.720 19.438 1.00 0.00 O ATOM 0 H GLY A 139 64.224 2.745 15.666 1.00 0.00 H new ATOM 0 HA2 GLY A 139 64.287 2.076 17.824 1.00 0.00 H new ATOM 0 HA3 GLY A 139 66.014 1.816 17.673 1.00 0.00 H new ATOM 1204 N SER A 140 65.117 4.947 17.778 1.00 0.00 N ATOM 1205 CA SER A 140 65.330 6.211 18.470 1.00 0.00 C ATOM 1206 C SER A 140 66.805 6.386 18.813 1.00 0.00 C ATOM 1207 O SER A 140 67.147 6.977 19.838 1.00 0.00 O ATOM 1208 CB SER A 140 64.495 6.251 19.752 1.00 0.00 C ATOM 1209 OG SER A 140 63.119 6.126 19.421 1.00 0.00 O ATOM 0 H SER A 140 64.677 5.032 16.862 1.00 0.00 H new ATOM 0 HA SER A 140 65.022 7.024 17.813 1.00 0.00 H new ATOM 0 HB2 SER A 140 64.795 5.444 20.420 1.00 0.00 H new ATOM 0 HB3 SER A 140 64.669 7.186 20.284 1.00 0.00 H new ATOM 0 HG SER A 140 62.582 6.150 20.240 1.00 0.00 H new ATOM 1215 N LYS A 141 67.681 5.877 17.946 1.00 0.00 N ATOM 1216 CA LYS A 141 69.117 5.995 18.171 1.00 0.00 C ATOM 1217 C LYS A 141 69.672 7.211 17.433 1.00 0.00 C ATOM 1218 O LYS A 141 70.128 7.104 16.295 1.00 0.00 O ATOM 1219 CB LYS A 141 69.834 4.732 17.681 1.00 0.00 C ATOM 1220 CG LYS A 141 69.279 3.499 18.403 1.00 0.00 C ATOM 1221 CD LYS A 141 69.611 3.580 19.896 1.00 0.00 C ATOM 1222 CE LYS A 141 69.242 2.258 20.573 1.00 0.00 C ATOM 1223 NZ LYS A 141 67.767 2.055 20.505 1.00 0.00 N ATOM 0 H LYS A 141 67.423 5.385 17.091 1.00 0.00 H new ATOM 0 HA LYS A 141 69.288 6.116 19.241 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.701 4.623 16.605 1.00 0.00 H new ATOM 0 HB3 LYS A 141 70.905 4.818 17.863 1.00 0.00 H new ATOM 0 HG2 LYS A 141 68.200 3.440 18.264 1.00 0.00 H new ATOM 0 HG3 LYS A 141 69.706 2.592 17.975 1.00 0.00 H new ATOM 0 HD2 LYS A 141 70.672 3.787 20.033 1.00 0.00 H new ATOM 0 HD3 LYS A 141 69.064 4.402 20.357 1.00 0.00 H new ATOM 0 HE2 LYS A 141 69.756 1.431 20.083 1.00 0.00 H new ATOM 0 HE3 LYS A 141 69.570 2.266 21.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 67.405 1.818 21.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 67.312 2.927 20.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 67.554 1.277 19.848 1.00 0.00 H new ATOM 1237 N ALA A 142 69.629 8.364 18.091 1.00 0.00 N ATOM 1238 CA ALA A 142 70.131 9.595 17.491 1.00 0.00 C ATOM 1239 C ALA A 142 70.464 10.618 18.574 1.00 0.00 C ATOM 1240 O ALA A 142 69.931 10.559 19.682 1.00 0.00 O ATOM 1241 CB ALA A 142 69.089 10.178 16.536 1.00 0.00 C ATOM 0 H ALA A 142 69.254 8.472 19.034 1.00 0.00 H new ATOM 0 HA ALA A 142 71.038 9.362 16.934 1.00 0.00 H new ATOM 0 HB1 ALA A 142 69.474 11.097 16.094 1.00 0.00 H new ATOM 0 HB2 ALA A 142 68.875 9.457 15.747 1.00 0.00 H new ATOM 0 HB3 ALA A 142 68.173 10.396 17.086 1.00 0.00 H new ATOM 1247 N ALA A 143 71.346 11.557 18.246 1.00 0.00 N ATOM 1248 CA ALA A 143 71.737 12.587 19.202 1.00 0.00 C ATOM 1249 C ALA A 143 70.976 13.882 18.937 1.00 0.00 C ATOM 1250 O ALA A 143 70.978 14.395 17.818 1.00 0.00 O ATOM 1251 CB ALA A 143 73.241 12.848 19.102 1.00 0.00 C ATOM 0 H ALA A 143 71.800 11.626 17.335 1.00 0.00 H new ATOM 0 HA ALA A 143 71.495 12.235 20.205 1.00 0.00 H new ATOM 0 HB1 ALA A 143 73.525 13.618 19.819 1.00 0.00 H new ATOM 0 HB2 ALA A 143 73.785 11.929 19.322 1.00 0.00 H new ATOM 0 HB3 ALA A 143 73.486 13.183 18.094 1.00 0.00 H new ATOM 1257 N THR A 144 70.332 14.407 19.973 1.00 0.00 N ATOM 1258 CA THR A 144 69.572 15.646 19.840 1.00 0.00 C ATOM 1259 C THR A 144 70.474 16.864 20.046 1.00 0.00 C ATOM 1260 O THR A 144 70.099 17.986 19.706 1.00 0.00 O ATOM 1261 CB THR A 144 68.435 15.675 20.865 1.00 0.00 C ATOM 1262 OG1 THR A 144 68.983 15.649 22.176 1.00 0.00 O ATOM 1263 CG2 THR A 144 67.533 14.458 20.663 1.00 0.00 C ATOM 0 H THR A 144 70.320 13.999 20.908 1.00 0.00 H new ATOM 0 HA THR A 144 69.158 15.684 18.832 1.00 0.00 H new ATOM 0 HB THR A 144 67.848 16.584 20.733 1.00 0.00 H new ATOM 0 HG1 THR A 144 68.257 15.669 22.834 1.00 0.00 H new ATOM 0 HG21 THR A 144 66.724 14.480 21.393 1.00 0.00 H new ATOM 0 HG22 THR A 144 67.114 14.478 19.657 1.00 0.00 H new ATOM 0 HG23 THR A 144 68.116 13.547 20.795 1.00 0.00 H new ATOM 1271 N ASP A 145 71.664 16.640 20.603 1.00 0.00 N ATOM 1272 CA ASP A 145 72.600 17.732 20.842 1.00 0.00 C ATOM 1273 C ASP A 145 74.026 17.200 20.956 1.00 0.00 C ATOM 1274 O ASP A 145 74.175 16.022 21.237 1.00 0.00 O ATOM 1275 CB ASP A 145 72.224 18.470 22.130 1.00 0.00 C ATOM 1276 CG ASP A 145 72.891 19.841 22.162 1.00 0.00 C ATOM 1277 OD1 ASP A 145 73.332 20.290 21.117 1.00 0.00 O ATOM 1278 OD2 ASP A 145 72.952 20.423 23.232 1.00 0.00 O ATOM 1279 OXT ASP A 145 74.945 17.977 20.760 1.00 0.00 O ATOM 0 H ASP A 145 71.998 15.721 20.894 1.00 0.00 H new ATOM 0 HA ASP A 145 72.548 18.422 20.000 1.00 0.00 H new ATOM 0 HB2 ASP A 145 71.142 18.582 22.191 1.00 0.00 H new ATOM 0 HB3 ASP A 145 72.534 17.886 22.997 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.754 8.371 -5.893 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.838 0.855 0.903 1.00 0.00 ZN