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 Set 1.1: A 102 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.132 K(o=-0.13,f=-1) USER MOD Single : A 86 SER OG : rot 180:sc= -0.209 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.949 K(o=-0.95,f=-4.4!) USER MOD Single : A 113 THR OG1 : rot -120:sc= -0.029 USER MOD Single : A 121 LYS NZ :NH3+ -162:sc= 1.17 (180deg=0.929) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 123 GLN : amide:sc= -2.88 X(o=-2.9,f=-3) USER MOD Single : A 124 CYS SG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 130:sc= -0.818 USER MOD Single : A 127 LYS NZ :NH3+ -109:sc= -1.95 (180deg=-4.12!) USER MOD Single : A 132 ASN : amide:sc= -0.653 K(o=-0.65,f=-0.074) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 MET CE :methyl -159:sc= -0.148 (180deg=-1.3!) USER MOD Single : A 138 SER OG : rot -52:sc= -0.763 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0745) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 63.187 -2.648 19.792 1.00 0.00 N ATOM 2 CA GLY A 54 64.124 -2.228 18.756 1.00 0.00 C ATOM 3 C GLY A 54 63.393 -1.921 17.455 1.00 0.00 C ATOM 4 O GLY A 54 62.362 -2.523 17.155 1.00 0.00 O ATOM 0 HA2 GLY A 54 64.669 -1.345 19.089 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.862 -3.013 18.587 1.00 0.00 H new ATOM 8 N GLY A 55 63.930 -0.980 16.685 1.00 0.00 N ATOM 9 CA GLY A 55 63.312 -0.606 15.420 1.00 0.00 C ATOM 10 C GLY A 55 63.689 0.815 15.029 1.00 0.00 C ATOM 11 O GLY A 55 64.622 1.400 15.580 1.00 0.00 O ATOM 0 H GLY A 55 64.782 -0.468 16.912 1.00 0.00 H new ATOM 0 HA2 GLY A 55 63.627 -1.298 14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 55 62.228 -0.689 15.502 1.00 0.00 H new ATOM 15 N ALA A 56 62.953 1.366 14.075 1.00 0.00 N ATOM 16 CA ALA A 56 63.209 2.720 13.619 1.00 0.00 C ATOM 17 C ALA A 56 61.892 3.468 13.443 1.00 0.00 C ATOM 18 O ALA A 56 60.906 2.908 12.962 1.00 0.00 O ATOM 19 CB ALA A 56 63.986 2.689 12.294 1.00 0.00 C ATOM 0 H ALA A 56 62.178 0.898 13.605 1.00 0.00 H new ATOM 0 HA ALA A 56 63.810 3.240 14.365 1.00 0.00 H new ATOM 0 HB1 ALA A 56 64.174 3.709 11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 56 64.936 2.174 12.441 1.00 0.00 H new ATOM 0 HB3 ALA A 56 63.400 2.162 11.541 1.00 0.00 H new ATOM 25 N GLU A 57 61.886 4.738 13.830 1.00 0.00 N ATOM 26 CA GLU A 57 60.690 5.569 13.709 1.00 0.00 C ATOM 27 C GLU A 57 60.656 6.261 12.352 1.00 0.00 C ATOM 28 O GLU A 57 60.232 7.412 12.225 1.00 0.00 O ATOM 29 CB GLU A 57 60.676 6.620 14.807 1.00 0.00 C ATOM 30 CG GLU A 57 60.352 5.959 16.149 1.00 0.00 C ATOM 31 CD GLU A 57 60.537 6.958 17.288 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.167 7.977 17.060 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.044 6.688 18.371 1.00 0.00 O ATOM 0 H GLU A 57 62.693 5.216 14.230 1.00 0.00 H new ATOM 0 HA GLU A 57 59.814 4.927 13.804 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.644 7.117 14.860 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.936 7.387 14.580 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.326 5.590 16.142 1.00 0.00 H new ATOM 0 HG3 GLU A 57 61.000 5.096 16.303 1.00 0.00 H new ATOM 40 N ALA A 58 61.099 5.543 11.343 1.00 0.00 N ATOM 41 CA ALA A 58 61.128 6.066 9.992 1.00 0.00 C ATOM 42 C ALA A 58 59.735 6.371 9.477 1.00 0.00 C ATOM 43 O ALA A 58 59.573 7.046 8.467 1.00 0.00 O ATOM 44 CB ALA A 58 61.873 5.119 9.062 1.00 0.00 C ATOM 0 H ALA A 58 61.447 4.588 11.433 1.00 0.00 H new ATOM 0 HA ALA A 58 61.671 7.011 10.014 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.882 5.532 8.053 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.898 4.996 9.413 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.374 4.150 9.053 1.00 0.00 H new ATOM 50 N LEU A 59 58.740 5.895 10.195 1.00 0.00 N ATOM 51 CA LEU A 59 57.354 6.131 9.837 1.00 0.00 C ATOM 52 C LEU A 59 57.101 7.607 9.567 1.00 0.00 C ATOM 53 O LEU A 59 56.154 7.964 8.867 1.00 0.00 O ATOM 54 CB LEU A 59 56.484 5.683 10.994 1.00 0.00 C ATOM 55 CG LEU A 59 56.443 4.161 11.020 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.977 3.702 12.398 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.457 3.649 9.959 1.00 0.00 C ATOM 0 H LEU A 59 58.866 5.336 11.039 1.00 0.00 H new ATOM 0 HA LEU A 59 57.120 5.574 8.930 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.881 6.065 11.934 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.477 6.085 10.886 1.00 0.00 H new ATOM 0 HG LEU A 59 57.437 3.767 10.809 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.944 2.613 12.427 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.671 4.064 13.156 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.982 4.100 12.597 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.431 2.560 9.982 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.461 4.040 10.169 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.778 3.984 8.973 1.00 0.00 H new ATOM 69 N GLU A 60 57.945 8.464 10.125 1.00 0.00 N ATOM 70 CA GLU A 60 57.781 9.892 9.930 1.00 0.00 C ATOM 71 C GLU A 60 57.850 10.248 8.456 1.00 0.00 C ATOM 72 O GLU A 60 57.044 11.033 7.957 1.00 0.00 O ATOM 73 CB GLU A 60 58.878 10.651 10.677 1.00 0.00 C ATOM 74 CG GLU A 60 58.633 10.543 12.180 1.00 0.00 C ATOM 75 CD GLU A 60 59.821 11.116 12.947 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.854 11.324 12.332 1.00 0.00 O ATOM 77 OE2 GLU A 60 59.680 11.337 14.139 1.00 0.00 O ATOM 0 H GLU A 60 58.739 8.198 10.708 1.00 0.00 H new ATOM 0 HA GLU A 60 56.803 10.175 10.319 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.856 10.240 10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.884 11.698 10.372 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.724 11.081 12.448 1.00 0.00 H new ATOM 0 HG3 GLU A 60 58.480 9.500 12.457 1.00 0.00 H new ATOM 84 N LEU A 61 58.811 9.668 7.768 1.00 0.00 N ATOM 85 CA LEU A 61 58.976 9.933 6.345 1.00 0.00 C ATOM 86 C LEU A 61 58.481 8.762 5.492 1.00 0.00 C ATOM 87 O LEU A 61 57.836 8.968 4.468 1.00 0.00 O ATOM 88 CB LEU A 61 60.447 10.190 6.057 1.00 0.00 C ATOM 89 CG LEU A 61 60.965 11.326 6.940 1.00 0.00 C ATOM 90 CD1 LEU A 61 62.437 11.563 6.640 1.00 0.00 C ATOM 91 CD2 LEU A 61 60.174 12.612 6.678 1.00 0.00 C ATOM 0 H LEU A 61 59.487 9.014 8.162 1.00 0.00 H new ATOM 0 HA LEU A 61 58.379 10.808 6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 61 61.025 9.284 6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.580 10.446 5.006 1.00 0.00 H new ATOM 0 HG LEU A 61 60.840 11.047 7.986 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.810 12.372 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 61 63.001 10.654 6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.556 11.833 5.591 1.00 0.00 H new ATOM 0 HD21 LEU A 61 60.556 13.410 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 61 60.282 12.899 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 61 59.120 12.443 6.901 1.00 0.00 H new ATOM 103 N LEU A 62 58.786 7.539 5.933 1.00 0.00 N ATOM 104 CA LEU A 62 58.385 6.326 5.237 1.00 0.00 C ATOM 105 C LEU A 62 58.496 5.136 6.184 1.00 0.00 C ATOM 106 O LEU A 62 57.530 4.800 6.857 1.00 0.00 O ATOM 107 CB LEU A 62 59.256 6.118 3.990 1.00 0.00 C ATOM 108 CG LEU A 62 58.449 6.480 2.751 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.398 6.855 1.610 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.602 5.275 2.340 1.00 0.00 C ATOM 0 H LEU A 62 59.319 7.368 6.785 1.00 0.00 H new ATOM 0 HA LEU A 62 57.349 6.419 4.912 1.00 0.00 H new ATOM 0 HB2 LEU A 62 60.151 6.737 4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.588 5.082 3.932 1.00 0.00 H new ATOM 0 HG LEU A 62 57.801 7.329 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.818 7.114 0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 62 60.006 7.709 1.908 1.00 0.00 H new ATOM 0 HD13 LEU A 62 60.047 6.009 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.020 5.525 1.453 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.254 4.430 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 62 56.927 5.010 3.154 1.00 0.00 H new ATOM 122 N GLU A 63 59.681 4.525 6.233 1.00 0.00 N ATOM 123 CA GLU A 63 59.954 3.381 7.095 1.00 0.00 C ATOM 124 C GLU A 63 61.272 2.712 6.712 1.00 0.00 C ATOM 125 O GLU A 63 62.294 2.910 7.365 1.00 0.00 O ATOM 126 CB GLU A 63 58.833 2.366 6.989 1.00 0.00 C ATOM 127 CG GLU A 63 58.013 2.370 8.270 1.00 0.00 C ATOM 128 CD GLU A 63 57.549 0.949 8.588 1.00 0.00 C ATOM 129 OE1 GLU A 63 58.402 0.107 8.819 1.00 0.00 O ATOM 130 OE2 GLU A 63 56.350 0.722 8.590 1.00 0.00 O ATOM 0 H GLU A 63 60.481 4.814 5.671 1.00 0.00 H new ATOM 0 HA GLU A 63 60.025 3.744 8.120 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.195 2.602 6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.245 1.372 6.813 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.610 2.761 9.094 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.151 3.028 8.160 1.00 0.00 H new ATOM 137 N HIS A 64 61.234 1.911 5.651 1.00 0.00 N ATOM 138 CA HIS A 64 62.416 1.210 5.189 1.00 0.00 C ATOM 139 C HIS A 64 62.830 1.723 3.820 1.00 0.00 C ATOM 140 O HIS A 64 62.077 2.430 3.150 1.00 0.00 O ATOM 141 CB HIS A 64 62.134 -0.290 5.099 1.00 0.00 C ATOM 142 CG HIS A 64 60.841 -0.518 4.384 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.647 -0.616 5.070 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.532 -0.676 3.057 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.681 -0.825 4.170 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.161 -0.872 2.924 1.00 0.00 N ATOM 0 H HIS A 64 60.395 1.735 5.099 1.00 0.00 H new ATOM 0 HA HIS A 64 63.223 1.387 5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 64 62.946 -0.791 4.572 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.089 -0.722 6.099 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.242 -0.652 2.243 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.637 -0.942 4.420 1.00 0.00 H new ATOM 0 HE2 HIS A 64 58.636 -1.020 2.062 1.00 0.00 H new ATOM 154 N CYS A 65 64.033 1.353 3.422 1.00 0.00 N ATOM 155 CA CYS A 65 64.583 1.756 2.134 1.00 0.00 C ATOM 156 C CYS A 65 64.008 0.922 0.996 1.00 0.00 C ATOM 157 O CYS A 65 63.903 -0.283 1.108 1.00 0.00 O ATOM 158 CB CYS A 65 66.091 1.590 2.179 1.00 0.00 C ATOM 159 SG CYS A 65 66.747 1.594 0.497 1.00 0.00 S ATOM 0 H CYS A 65 64.657 0.767 3.977 1.00 0.00 H new ATOM 0 HA CYS A 65 64.317 2.797 1.948 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.539 2.398 2.758 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.350 0.657 2.680 1.00 0.00 H new ATOM 164 N GLY A 66 63.631 1.577 -0.093 1.00 0.00 N ATOM 165 CA GLY A 66 63.060 0.881 -1.246 1.00 0.00 C ATOM 166 C GLY A 66 64.061 -0.051 -1.942 1.00 0.00 C ATOM 167 O GLY A 66 63.690 -1.122 -2.422 1.00 0.00 O ATOM 0 H GLY A 66 63.708 2.588 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.197 0.300 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.697 1.617 -1.964 1.00 0.00 H new ATOM 171 N VAL A 67 65.316 0.385 -2.040 1.00 0.00 N ATOM 172 CA VAL A 67 66.351 -0.391 -2.735 1.00 0.00 C ATOM 173 C VAL A 67 66.593 -1.763 -2.099 1.00 0.00 C ATOM 174 O VAL A 67 66.751 -2.759 -2.806 1.00 0.00 O ATOM 175 CB VAL A 67 67.667 0.388 -2.717 1.00 0.00 C ATOM 176 CG1 VAL A 67 68.788 -0.472 -3.299 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.525 1.673 -3.533 1.00 0.00 C ATOM 0 H VAL A 67 65.644 1.268 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 67 65.996 -0.551 -3.753 1.00 0.00 H new ATOM 0 HB VAL A 67 67.911 0.646 -1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 67 69.722 0.089 -3.283 1.00 0.00 H new ATOM 0 HG12 VAL A 67 68.898 -1.378 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.544 -0.741 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.467 2.222 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.270 1.424 -4.563 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.737 2.291 -3.104 1.00 0.00 H new ATOM 187 N CYS A 68 66.654 -1.806 -0.772 1.00 0.00 N ATOM 188 CA CYS A 68 66.915 -3.065 -0.067 1.00 0.00 C ATOM 189 C CYS A 68 65.662 -3.593 0.621 1.00 0.00 C ATOM 190 O CYS A 68 65.566 -4.779 0.934 1.00 0.00 O ATOM 191 CB CYS A 68 68.025 -2.851 0.963 1.00 0.00 C ATOM 192 SG CYS A 68 67.453 -1.718 2.254 1.00 0.00 S ATOM 0 H CYS A 68 66.528 -0.996 -0.165 1.00 0.00 H new ATOM 0 HA CYS A 68 67.228 -3.808 -0.801 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.313 -3.805 1.405 1.00 0.00 H new ATOM 0 HB3 CYS A 68 68.912 -2.445 0.477 1.00 0.00 H new ATOM 197 N ARG A 69 64.694 -2.716 0.818 1.00 0.00 N ATOM 198 CA ARG A 69 63.431 -3.100 1.434 1.00 0.00 C ATOM 199 C ARG A 69 63.657 -3.570 2.866 1.00 0.00 C ATOM 200 O ARG A 69 63.042 -4.530 3.328 1.00 0.00 O ATOM 201 CB ARG A 69 62.773 -4.202 0.595 1.00 0.00 C ATOM 202 CG ARG A 69 62.911 -3.871 -0.905 1.00 0.00 C ATOM 203 CD ARG A 69 61.542 -3.701 -1.551 1.00 0.00 C ATOM 204 NE ARG A 69 61.115 -4.948 -2.184 1.00 0.00 N ATOM 205 CZ ARG A 69 59.959 -5.042 -2.848 1.00 0.00 C ATOM 206 NH1 ARG A 69 59.158 -4.010 -2.954 1.00 0.00 N ATOM 207 NH2 ARG A 69 59.622 -6.176 -3.403 1.00 0.00 N ATOM 0 H ARG A 69 64.756 -1.731 0.561 1.00 0.00 H new ATOM 0 HA ARG A 69 62.768 -2.236 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.241 -5.163 0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 69 61.720 -4.294 0.861 1.00 0.00 H new ATOM 0 HG2 ARG A 69 63.492 -2.957 -1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.459 -4.667 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 69 60.813 -3.400 -0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 69 61.580 -2.904 -2.294 1.00 0.00 H new ATOM 0 HE ARG A 69 61.716 -5.769 -2.117 1.00 0.00 H new ATOM 0 HH11 ARG A 69 59.414 -3.120 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 69 58.279 -4.097 -3.464 1.00 0.00 H new ATOM 0 HH21 ARG A 69 60.240 -6.984 -3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 69 58.741 -6.253 -3.911 1.00 0.00 H new ATOM 221 N GLU A 70 64.543 -2.866 3.563 1.00 0.00 N ATOM 222 CA GLU A 70 64.855 -3.188 4.947 1.00 0.00 C ATOM 223 C GLU A 70 64.789 -1.940 5.801 1.00 0.00 C ATOM 224 O GLU A 70 65.093 -0.836 5.346 1.00 0.00 O ATOM 225 CB GLU A 70 66.239 -3.813 5.041 1.00 0.00 C ATOM 226 CG GLU A 70 66.262 -5.078 4.191 1.00 0.00 C ATOM 227 CD GLU A 70 65.253 -6.090 4.724 1.00 0.00 C ATOM 228 OE1 GLU A 70 65.012 -6.084 5.920 1.00 0.00 O ATOM 229 OE2 GLU A 70 64.737 -6.857 3.928 1.00 0.00 O ATOM 0 H GLU A 70 65.057 -2.068 3.190 1.00 0.00 H new ATOM 0 HA GLU A 70 64.120 -3.904 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 70 66.996 -3.110 4.693 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.477 -4.050 6.078 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.029 -4.833 3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.262 -5.512 4.199 1.00 0.00 H new ATOM 236 N ARG A 71 64.376 -2.128 7.036 1.00 0.00 N ATOM 237 CA ARG A 71 64.248 -1.029 7.966 1.00 0.00 C ATOM 238 C ARG A 71 65.536 -0.226 8.025 1.00 0.00 C ATOM 239 O ARG A 71 66.628 -0.755 7.816 1.00 0.00 O ATOM 240 CB ARG A 71 63.906 -1.588 9.342 1.00 0.00 C ATOM 241 CG ARG A 71 63.202 -0.524 10.187 1.00 0.00 C ATOM 242 CD ARG A 71 61.725 -0.452 9.792 1.00 0.00 C ATOM 243 NE ARG A 71 61.075 -1.745 10.005 1.00 0.00 N ATOM 244 CZ ARG A 71 60.696 -2.155 11.218 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.889 -1.402 12.273 1.00 0.00 N ATOM 246 NH2 ARG A 71 60.130 -3.324 11.353 1.00 0.00 N ATOM 0 H ARG A 71 64.122 -3.038 7.420 1.00 0.00 H new ATOM 0 HA ARG A 71 63.453 -0.361 7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.264 -2.463 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.815 -1.918 9.844 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.295 -0.766 11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 71 63.677 0.446 10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.222 0.316 10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 71 61.636 -0.161 8.745 1.00 0.00 H new ATOM 0 HE ARG A 71 60.906 -2.352 9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 71 61.334 -0.490 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 71 60.594 -1.728 13.193 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.981 -3.916 10.536 1.00 0.00 H new ATOM 0 HH22 ARG A 71 59.837 -3.645 12.276 1.00 0.00 H new ATOM 260 N LEU A 72 65.392 1.063 8.286 1.00 0.00 N ATOM 261 CA LEU A 72 66.535 1.954 8.347 1.00 0.00 C ATOM 262 C LEU A 72 67.251 1.824 9.692 1.00 0.00 C ATOM 263 O LEU A 72 66.767 2.306 10.715 1.00 0.00 O ATOM 264 CB LEU A 72 66.044 3.386 8.155 1.00 0.00 C ATOM 265 CG LEU A 72 65.389 3.522 6.774 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.666 4.872 6.684 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.464 3.435 5.679 1.00 0.00 C ATOM 0 H LEU A 72 64.494 1.514 8.459 1.00 0.00 H new ATOM 0 HA LEU A 72 67.243 1.690 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.328 3.644 8.936 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.878 4.083 8.244 1.00 0.00 H new ATOM 0 HG LEU A 72 64.670 2.715 6.633 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.200 4.971 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.900 4.927 7.457 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.384 5.680 6.827 1.00 0.00 H new ATOM 0 HD21 LEU A 72 65.995 3.532 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.188 4.238 5.815 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.972 2.473 5.744 1.00 0.00 H new ATOM 279 N ARG A 73 68.408 1.171 9.670 1.00 0.00 N ATOM 280 CA ARG A 73 69.210 0.973 10.878 1.00 0.00 C ATOM 281 C ARG A 73 70.105 2.188 11.114 1.00 0.00 C ATOM 282 O ARG A 73 70.235 3.044 10.246 1.00 0.00 O ATOM 283 CB ARG A 73 70.051 -0.288 10.757 1.00 0.00 C ATOM 284 CG ARG A 73 71.462 0.073 10.336 1.00 0.00 C ATOM 285 CD ARG A 73 72.171 -1.190 9.896 1.00 0.00 C ATOM 286 NE ARG A 73 72.584 -1.974 11.055 1.00 0.00 N ATOM 287 CZ ARG A 73 73.319 -3.080 10.926 1.00 0.00 C ATOM 288 NH1 ARG A 73 73.690 -3.504 9.742 1.00 0.00 N ATOM 289 NH2 ARG A 73 73.675 -3.747 11.991 1.00 0.00 N ATOM 0 H ARG A 73 68.815 0.767 8.826 1.00 0.00 H new ATOM 0 HA ARG A 73 68.539 0.858 11.730 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.070 -0.816 11.710 1.00 0.00 H new ATOM 0 HB3 ARG A 73 69.606 -0.964 10.027 1.00 0.00 H new ATOM 0 HG2 ARG A 73 71.441 0.798 9.522 1.00 0.00 H new ATOM 0 HG3 ARG A 73 71.997 0.539 11.164 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.510 -1.784 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 73 73.042 -0.934 9.293 1.00 0.00 H new ATOM 0 HE ARG A 73 72.304 -1.669 11.987 1.00 0.00 H new ATOM 0 HH11 ARG A 73 73.417 -2.987 8.906 1.00 0.00 H new ATOM 0 HH12 ARG A 73 74.252 -4.351 9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 73 73.391 -3.422 12.915 1.00 0.00 H new ATOM 0 HH22 ARG A 73 74.237 -4.593 11.899 1.00 0.00 H new ATOM 303 N PRO A 74 70.700 2.308 12.263 1.00 0.00 N ATOM 304 CA PRO A 74 71.569 3.482 12.572 1.00 0.00 C ATOM 305 C PRO A 74 72.651 3.712 11.508 1.00 0.00 C ATOM 306 O PRO A 74 72.786 4.815 10.969 1.00 0.00 O ATOM 307 CB PRO A 74 72.197 3.102 13.916 1.00 0.00 C ATOM 308 CG PRO A 74 71.231 2.153 14.539 1.00 0.00 C ATOM 309 CD PRO A 74 70.628 1.360 13.385 1.00 0.00 C ATOM 0 HA PRO A 74 71.007 4.415 12.596 1.00 0.00 H new ATOM 0 HB2 PRO A 74 73.173 2.637 13.778 1.00 0.00 H new ATOM 0 HB3 PRO A 74 72.348 3.980 14.544 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.732 1.493 15.248 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.459 2.687 15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 74 71.192 0.450 13.182 1.00 0.00 H new ATOM 0 HD3 PRO A 74 69.602 1.059 13.594 1.00 0.00 H new ATOM 317 N GLU A 75 73.398 2.661 11.193 1.00 0.00 N ATOM 318 CA GLU A 75 74.455 2.750 10.190 1.00 0.00 C ATOM 319 C GLU A 75 73.879 2.862 8.775 1.00 0.00 C ATOM 320 O GLU A 75 74.628 3.032 7.811 1.00 0.00 O ATOM 321 CB GLU A 75 75.362 1.517 10.281 1.00 0.00 C ATOM 322 CG GLU A 75 76.164 1.568 11.585 1.00 0.00 C ATOM 323 CD GLU A 75 76.968 0.283 11.761 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.732 -0.649 11.010 1.00 0.00 O ATOM 325 OE2 GLU A 75 77.807 0.250 12.646 1.00 0.00 O ATOM 0 H GLU A 75 73.293 1.739 11.616 1.00 0.00 H new ATOM 0 HA GLU A 75 75.034 3.651 10.392 1.00 0.00 H new ATOM 0 HB2 GLU A 75 74.762 0.608 10.246 1.00 0.00 H new ATOM 0 HB3 GLU A 75 76.038 1.486 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 75 76.835 2.427 11.574 1.00 0.00 H new ATOM 0 HG3 GLU A 75 75.489 1.702 12.430 1.00 0.00 H new ATOM 332 N ARG A 76 72.555 2.759 8.650 1.00 0.00 N ATOM 333 CA ARG A 76 71.914 2.843 7.339 1.00 0.00 C ATOM 334 C ARG A 76 72.066 4.231 6.753 1.00 0.00 C ATOM 335 O ARG A 76 72.026 4.401 5.529 1.00 0.00 O ATOM 336 CB ARG A 76 70.419 2.586 7.485 1.00 0.00 C ATOM 337 CG ARG A 76 69.842 2.060 6.175 1.00 0.00 C ATOM 338 CD ARG A 76 69.787 0.532 6.205 1.00 0.00 C ATOM 339 NE ARG A 76 71.027 -0.036 5.680 1.00 0.00 N ATOM 340 CZ ARG A 76 71.155 -1.345 5.432 1.00 0.00 C ATOM 341 NH1 ARG A 76 70.164 -2.172 5.657 1.00 0.00 N ATOM 342 NH2 ARG A 76 72.282 -1.807 4.960 1.00 0.00 N ATOM 0 H ARG A 76 71.913 2.619 9.430 1.00 0.00 H new ATOM 0 HA ARG A 76 72.387 2.105 6.691 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.243 1.865 8.283 1.00 0.00 H new ATOM 0 HB3 ARG A 76 69.911 3.507 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 76 68.842 2.465 6.020 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.455 2.394 5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 76 69.627 0.188 7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 76 68.941 0.181 5.614 1.00 0.00 H new ATOM 0 HE ARG A 76 71.817 0.583 5.497 1.00 0.00 H new ATOM 0 HH11 ARG A 76 69.280 -1.821 6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 76 70.276 -3.167 5.463 1.00 0.00 H new ATOM 0 HH21 ARG A 76 73.059 -1.171 4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 76 72.385 -2.804 4.769 1.00 0.00 H new ATOM 356 N GLU A 77 72.219 5.222 7.630 1.00 0.00 N ATOM 357 CA GLU A 77 72.341 6.595 7.181 1.00 0.00 C ATOM 358 C GLU A 77 71.267 6.891 6.147 1.00 0.00 C ATOM 359 O GLU A 77 71.551 7.034 4.959 1.00 0.00 O ATOM 360 CB GLU A 77 73.718 6.836 6.581 1.00 0.00 C ATOM 361 CG GLU A 77 73.883 8.325 6.302 1.00 0.00 C ATOM 362 CD GLU A 77 75.289 8.593 5.782 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.067 7.655 5.732 1.00 0.00 O ATOM 364 OE2 GLU A 77 75.568 9.731 5.442 1.00 0.00 O ATOM 0 H GLU A 77 72.260 5.096 8.641 1.00 0.00 H new ATOM 0 HA GLU A 77 72.213 7.259 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.493 6.493 7.267 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.832 6.265 5.660 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.145 8.652 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 77 73.705 8.898 7.212 1.00 0.00 H new ATOM 371 N PRO A 78 70.044 6.953 6.583 1.00 0.00 N ATOM 372 CA PRO A 78 68.879 7.200 5.691 1.00 0.00 C ATOM 373 C PRO A 78 68.919 8.596 5.087 1.00 0.00 C ATOM 374 O PRO A 78 69.363 9.547 5.730 1.00 0.00 O ATOM 375 CB PRO A 78 67.671 7.043 6.619 1.00 0.00 C ATOM 376 CG PRO A 78 68.200 7.281 7.993 1.00 0.00 C ATOM 377 CD PRO A 78 69.642 6.801 7.985 1.00 0.00 C ATOM 0 HA PRO A 78 68.858 6.518 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 78 66.887 7.758 6.369 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.234 6.048 6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 78 68.144 8.338 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 78 67.614 6.738 8.735 1.00 0.00 H new ATOM 0 HD2 PRO A 78 70.268 7.397 8.649 1.00 0.00 H new ATOM 0 HD3 PRO A 78 69.723 5.766 8.316 1.00 0.00 H new ATOM 385 N ARG A 79 68.458 8.712 3.851 1.00 0.00 N ATOM 386 CA ARG A 79 68.456 10.003 3.175 1.00 0.00 C ATOM 387 C ARG A 79 67.198 10.159 2.336 1.00 0.00 C ATOM 388 O ARG A 79 66.709 9.192 1.757 1.00 0.00 O ATOM 389 CB ARG A 79 69.689 10.117 2.277 1.00 0.00 C ATOM 390 CG ARG A 79 70.457 11.403 2.596 1.00 0.00 C ATOM 391 CD ARG A 79 71.954 11.171 2.377 1.00 0.00 C ATOM 392 NE ARG A 79 72.723 12.301 2.890 1.00 0.00 N ATOM 393 CZ ARG A 79 74.057 12.280 2.937 1.00 0.00 C ATOM 394 NH1 ARG A 79 74.727 11.237 2.511 1.00 0.00 N ATOM 395 NH2 ARG A 79 74.703 13.309 3.416 1.00 0.00 N ATOM 0 H ARG A 79 68.084 7.939 3.300 1.00 0.00 H new ATOM 0 HA ARG A 79 68.478 10.792 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.336 9.252 2.424 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.387 10.115 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.107 12.216 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 79 70.272 11.704 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.264 10.254 2.878 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.156 11.037 1.314 1.00 0.00 H new ATOM 0 HE ARG A 79 72.228 13.129 3.221 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.229 10.429 2.138 1.00 0.00 H new ATOM 0 HH12 ARG A 79 75.746 11.234 2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 79 74.188 14.123 3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 79 75.722 13.299 3.454 1.00 0.00 H new ATOM 409 N LEU A 80 66.673 11.378 2.284 1.00 0.00 N ATOM 410 CA LEU A 80 65.456 11.642 1.524 1.00 0.00 C ATOM 411 C LEU A 80 65.758 12.284 0.175 1.00 0.00 C ATOM 412 O LEU A 80 66.379 13.342 0.109 1.00 0.00 O ATOM 413 CB LEU A 80 64.542 12.566 2.325 1.00 0.00 C ATOM 414 CG LEU A 80 63.198 12.686 1.613 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.097 12.236 2.563 1.00 0.00 C ATOM 416 CD2 LEU A 80 62.957 14.145 1.209 1.00 0.00 C ATOM 0 H LEU A 80 67.067 12.193 2.755 1.00 0.00 H new ATOM 0 HA LEU A 80 64.966 10.686 1.342 1.00 0.00 H new ATOM 0 HB2 LEU A 80 64.400 12.173 3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.001 13.549 2.429 1.00 0.00 H new ATOM 0 HG LEU A 80 63.198 12.062 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 80 61.131 12.317 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 80 62.269 11.200 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.102 12.868 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 80 61.996 14.228 0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 80 62.951 14.773 2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.752 14.473 0.539 1.00 0.00 H new ATOM 428 N LEU A 81 65.292 11.644 -0.895 1.00 0.00 N ATOM 429 CA LEU A 81 65.491 12.164 -2.241 1.00 0.00 C ATOM 430 C LEU A 81 64.423 13.206 -2.579 1.00 0.00 C ATOM 431 O LEU A 81 63.427 13.341 -1.869 1.00 0.00 O ATOM 432 CB LEU A 81 65.410 11.024 -3.256 1.00 0.00 C ATOM 433 CG LEU A 81 66.815 10.562 -3.627 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.524 10.007 -2.391 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.712 9.476 -4.699 1.00 0.00 C ATOM 0 H LEU A 81 64.775 10.766 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 81 66.475 12.631 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 81 64.842 10.193 -2.838 1.00 0.00 H new ATOM 0 HB3 LEU A 81 64.879 11.356 -4.148 1.00 0.00 H new ATOM 0 HG LEU A 81 67.390 11.405 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.527 9.679 -2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 81 67.591 10.785 -1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 81 66.960 9.161 -1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.712 9.138 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.138 8.635 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.213 9.880 -5.580 1.00 0.00 H new ATOM 447 N PRO A 82 64.610 13.926 -3.651 1.00 0.00 N ATOM 448 CA PRO A 82 63.648 14.970 -4.111 1.00 0.00 C ATOM 449 C PRO A 82 62.330 14.370 -4.594 1.00 0.00 C ATOM 450 O PRO A 82 61.335 15.078 -4.750 1.00 0.00 O ATOM 451 CB PRO A 82 64.367 15.667 -5.272 1.00 0.00 C ATOM 452 CG PRO A 82 65.776 15.184 -5.242 1.00 0.00 C ATOM 453 CD PRO A 82 65.755 13.826 -4.555 1.00 0.00 C ATOM 0 HA PRO A 82 63.383 15.647 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 82 63.893 15.426 -6.224 1.00 0.00 H new ATOM 0 HB3 PRO A 82 64.325 16.751 -5.161 1.00 0.00 H new ATOM 0 HG2 PRO A 82 66.179 15.101 -6.251 1.00 0.00 H new ATOM 0 HG3 PRO A 82 66.414 15.883 -4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 82 65.632 13.014 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 82 66.681 13.635 -4.012 1.00 0.00 H new ATOM 461 N CYS A 83 62.329 13.061 -4.823 1.00 0.00 N ATOM 462 CA CYS A 83 61.134 12.383 -5.283 1.00 0.00 C ATOM 463 C CYS A 83 60.294 11.933 -4.096 1.00 0.00 C ATOM 464 O CYS A 83 59.224 11.351 -4.274 1.00 0.00 O ATOM 465 CB CYS A 83 61.505 11.185 -6.167 1.00 0.00 C ATOM 466 SG CYS A 83 62.731 10.154 -5.328 1.00 0.00 S ATOM 0 H CYS A 83 63.140 12.456 -4.697 1.00 0.00 H new ATOM 0 HA CYS A 83 60.545 13.079 -5.880 1.00 0.00 H new ATOM 0 HB2 CYS A 83 60.614 10.597 -6.390 1.00 0.00 H new ATOM 0 HB3 CYS A 83 61.903 11.535 -7.120 1.00 0.00 H new ATOM 471 N LEU A 84 60.796 12.217 -2.888 1.00 0.00 N ATOM 472 CA LEU A 84 60.106 11.863 -1.659 1.00 0.00 C ATOM 473 C LEU A 84 60.230 10.380 -1.370 1.00 0.00 C ATOM 474 O LEU A 84 59.259 9.710 -1.023 1.00 0.00 O ATOM 475 CB LEU A 84 58.629 12.264 -1.729 1.00 0.00 C ATOM 476 CG LEU A 84 58.156 12.788 -0.375 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.678 13.174 -0.479 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.323 11.697 0.688 1.00 0.00 C ATOM 0 H LEU A 84 61.685 12.695 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 84 60.579 12.412 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.489 13.030 -2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.026 11.406 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 84 58.748 13.658 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.331 13.549 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.557 13.949 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.092 12.299 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 84 57.985 12.074 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.730 10.825 0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.373 11.414 0.757 1.00 0.00 H new ATOM 490 N HIS A 85 61.438 9.877 -1.498 1.00 0.00 N ATOM 491 CA HIS A 85 61.691 8.481 -1.223 1.00 0.00 C ATOM 492 C HIS A 85 62.937 8.341 -0.373 1.00 0.00 C ATOM 493 O HIS A 85 64.033 8.711 -0.791 1.00 0.00 O ATOM 494 CB HIS A 85 61.867 7.715 -2.522 1.00 0.00 C ATOM 495 CG HIS A 85 60.607 7.825 -3.334 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.620 8.114 -4.686 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.286 7.688 -2.992 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.343 8.142 -5.108 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.489 7.889 -4.114 1.00 0.00 N ATOM 0 H HIS A 85 62.257 10.411 -1.789 1.00 0.00 H new ATOM 0 HA HIS A 85 60.839 8.069 -0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.712 8.115 -3.083 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.090 6.669 -2.314 1.00 0.00 H new ATOM 0 HD2 HIS A 85 58.920 7.459 -2.002 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.045 8.344 -6.126 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.471 7.851 -4.166 1.00 0.00 H new ATOM 507 N SER A 86 62.762 7.809 0.818 1.00 0.00 N ATOM 508 CA SER A 86 63.891 7.625 1.718 1.00 0.00 C ATOM 509 C SER A 86 64.557 6.285 1.453 1.00 0.00 C ATOM 510 O SER A 86 63.886 5.288 1.186 1.00 0.00 O ATOM 511 CB SER A 86 63.438 7.668 3.171 1.00 0.00 C ATOM 512 OG SER A 86 62.789 8.906 3.430 1.00 0.00 O ATOM 0 H SER A 86 61.863 7.498 1.186 1.00 0.00 H new ATOM 0 HA SER A 86 64.598 8.435 1.538 1.00 0.00 H new ATOM 0 HB2 SER A 86 62.759 6.840 3.376 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.295 7.549 3.834 1.00 0.00 H new ATOM 0 HG SER A 86 62.496 8.933 4.365 1.00 0.00 H new ATOM 518 N ALA A 87 65.878 6.267 1.527 1.00 0.00 N ATOM 519 CA ALA A 87 66.625 5.037 1.290 1.00 0.00 C ATOM 520 C ALA A 87 67.996 5.097 1.961 1.00 0.00 C ATOM 521 O ALA A 87 68.463 6.167 2.350 1.00 0.00 O ATOM 522 CB ALA A 87 66.790 4.803 -0.216 1.00 0.00 C ATOM 0 H ALA A 87 66.453 7.080 1.747 1.00 0.00 H new ATOM 0 HA ALA A 87 66.065 4.208 1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.349 3.882 -0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 87 65.808 4.720 -0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.331 5.640 -0.657 1.00 0.00 H new ATOM 528 N CYS A 88 68.633 3.937 2.088 1.00 0.00 N ATOM 529 CA CYS A 88 69.950 3.858 2.705 1.00 0.00 C ATOM 530 C CYS A 88 70.946 4.647 1.878 1.00 0.00 C ATOM 531 O CYS A 88 70.945 4.551 0.664 1.00 0.00 O ATOM 532 CB CYS A 88 70.435 2.408 2.749 1.00 0.00 C ATOM 533 SG CYS A 88 69.084 1.293 3.190 1.00 0.00 S ATOM 0 H CYS A 88 68.259 3.042 1.773 1.00 0.00 H new ATOM 0 HA CYS A 88 69.875 4.259 3.716 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.843 2.127 1.778 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.243 2.312 3.474 1.00 0.00 H new ATOM 538 N SER A 89 71.807 5.405 2.525 1.00 0.00 N ATOM 539 CA SER A 89 72.790 6.182 1.794 1.00 0.00 C ATOM 540 C SER A 89 73.619 5.269 0.904 1.00 0.00 C ATOM 541 O SER A 89 73.869 5.589 -0.257 1.00 0.00 O ATOM 542 CB SER A 89 73.708 6.909 2.773 1.00 0.00 C ATOM 543 OG SER A 89 74.699 7.618 2.045 1.00 0.00 O ATOM 0 H SER A 89 71.848 5.500 3.540 1.00 0.00 H new ATOM 0 HA SER A 89 72.271 6.913 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.130 7.598 3.389 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.178 6.194 3.449 1.00 0.00 H new ATOM 0 HG SER A 89 75.290 8.088 2.670 1.00 0.00 H new ATOM 549 N ALA A 90 74.026 4.123 1.434 1.00 0.00 N ATOM 550 CA ALA A 90 74.800 3.184 0.640 1.00 0.00 C ATOM 551 C ALA A 90 73.974 2.733 -0.564 1.00 0.00 C ATOM 552 O ALA A 90 74.490 2.615 -1.672 1.00 0.00 O ATOM 553 CB ALA A 90 75.201 1.974 1.485 1.00 0.00 C ATOM 0 H ALA A 90 73.837 3.827 2.392 1.00 0.00 H new ATOM 0 HA ALA A 90 75.708 3.677 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.780 1.280 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.804 2.305 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.305 1.473 1.852 1.00 0.00 H new ATOM 559 N CYS A 91 72.679 2.507 -0.336 1.00 0.00 N ATOM 560 CA CYS A 91 71.771 2.100 -1.402 1.00 0.00 C ATOM 561 C CYS A 91 71.593 3.234 -2.408 1.00 0.00 C ATOM 562 O CYS A 91 71.404 3.005 -3.603 1.00 0.00 O ATOM 563 CB CYS A 91 70.417 1.696 -0.818 1.00 0.00 C ATOM 564 SG CYS A 91 70.602 0.131 0.072 1.00 0.00 S ATOM 0 H CYS A 91 72.238 2.600 0.579 1.00 0.00 H new ATOM 0 HA CYS A 91 72.201 1.241 -1.917 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.051 2.471 -0.145 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.680 1.591 -1.614 1.00 0.00 H new ATOM 569 N LEU A 92 71.633 4.456 -1.898 1.00 0.00 N ATOM 570 CA LEU A 92 71.472 5.645 -2.721 1.00 0.00 C ATOM 571 C LEU A 92 72.669 5.848 -3.656 1.00 0.00 C ATOM 572 O LEU A 92 72.532 6.435 -4.729 1.00 0.00 O ATOM 573 CB LEU A 92 71.283 6.871 -1.816 1.00 0.00 C ATOM 574 CG LEU A 92 69.917 6.793 -1.115 1.00 0.00 C ATOM 575 CD1 LEU A 92 69.786 7.920 -0.090 1.00 0.00 C ATOM 576 CD2 LEU A 92 68.797 6.909 -2.144 1.00 0.00 C ATOM 0 H LEU A 92 71.777 4.651 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 92 70.589 5.514 -3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.081 6.914 -1.075 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.347 7.785 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 92 69.841 5.833 -0.604 1.00 0.00 H new ATOM 0 HD11 LEU A 92 68.815 7.855 0.400 1.00 0.00 H new ATOM 0 HD12 LEU A 92 70.576 7.827 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 92 69.874 8.882 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 92 67.832 6.853 -1.640 1.00 0.00 H new ATOM 0 HD22 LEU A 92 68.879 7.863 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 92 68.878 6.094 -2.864 1.00 0.00 H new ATOM 588 N GLY A 93 73.843 5.379 -3.242 1.00 0.00 N ATOM 589 CA GLY A 93 75.048 5.541 -4.061 1.00 0.00 C ATOM 590 C GLY A 93 74.848 4.983 -5.473 1.00 0.00 C ATOM 591 O GLY A 93 74.899 5.726 -6.453 1.00 0.00 O ATOM 0 H GLY A 93 73.989 4.890 -2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.309 6.598 -4.120 1.00 0.00 H new ATOM 0 HA3 GLY A 93 75.885 5.032 -3.583 1.00 0.00 H new ATOM 595 N PRO A 94 74.602 3.704 -5.590 1.00 0.00 N ATOM 596 CA PRO A 94 74.361 3.035 -6.909 1.00 0.00 C ATOM 597 C PRO A 94 73.177 3.654 -7.650 1.00 0.00 C ATOM 598 O PRO A 94 73.036 3.494 -8.863 1.00 0.00 O ATOM 599 CB PRO A 94 74.071 1.577 -6.535 1.00 0.00 C ATOM 600 CG PRO A 94 74.677 1.395 -5.185 1.00 0.00 C ATOM 601 CD PRO A 94 74.544 2.742 -4.482 1.00 0.00 C ATOM 0 HA PRO A 94 75.210 3.140 -7.585 1.00 0.00 H new ATOM 0 HB2 PRO A 94 72.999 1.381 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.508 0.890 -7.259 1.00 0.00 H new ATOM 0 HG2 PRO A 94 74.163 0.612 -4.628 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.722 1.097 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.607 2.818 -3.931 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.349 2.904 -3.765 1.00 0.00 H new ATOM 609 N ALA A 95 72.327 4.357 -6.908 1.00 0.00 N ATOM 610 CA ALA A 95 71.154 4.995 -7.490 1.00 0.00 C ATOM 611 C ALA A 95 71.566 5.988 -8.576 1.00 0.00 C ATOM 612 O ALA A 95 70.888 6.122 -9.596 1.00 0.00 O ATOM 613 CB ALA A 95 70.368 5.721 -6.395 1.00 0.00 C ATOM 0 H ALA A 95 72.430 4.499 -5.903 1.00 0.00 H new ATOM 0 HA ALA A 95 70.526 4.228 -7.942 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.491 6.198 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.052 5.004 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 95 71.001 6.479 -5.934 1.00 0.00 H new ATOM 619 N ALA A 96 72.673 6.691 -8.349 1.00 0.00 N ATOM 620 CA ALA A 96 73.152 7.667 -9.323 1.00 0.00 C ATOM 621 C ALA A 96 73.940 6.968 -10.440 1.00 0.00 C ATOM 622 O ALA A 96 74.651 5.998 -10.180 1.00 0.00 O ATOM 623 CB ALA A 96 74.049 8.696 -8.632 1.00 0.00 C ATOM 0 H ALA A 96 73.248 6.605 -7.511 1.00 0.00 H new ATOM 0 HA ALA A 96 72.290 8.171 -9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.403 9.421 -9.365 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.482 9.211 -7.857 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.903 8.190 -8.181 1.00 0.00 H new ATOM 629 N PRO A 97 73.841 7.433 -11.667 1.00 0.00 N ATOM 630 CA PRO A 97 74.576 6.823 -12.814 1.00 0.00 C ATOM 631 C PRO A 97 76.058 7.191 -12.818 1.00 0.00 C ATOM 632 O PRO A 97 76.455 8.213 -12.256 1.00 0.00 O ATOM 633 CB PRO A 97 73.863 7.396 -14.036 1.00 0.00 C ATOM 634 CG PRO A 97 73.339 8.718 -13.596 1.00 0.00 C ATOM 635 CD PRO A 97 73.027 8.585 -12.106 1.00 0.00 C ATOM 0 HA PRO A 97 74.564 5.734 -12.777 1.00 0.00 H new ATOM 0 HB2 PRO A 97 74.548 7.504 -14.877 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.056 6.741 -14.364 1.00 0.00 H new ATOM 0 HG2 PRO A 97 74.074 9.504 -13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 97 72.444 8.987 -14.157 1.00 0.00 H new ATOM 0 HD2 PRO A 97 73.292 9.491 -11.561 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.965 8.410 -11.936 1.00 0.00 H new ATOM 643 N ALA A 98 76.870 6.357 -13.461 1.00 0.00 N ATOM 644 CA ALA A 98 78.306 6.609 -13.538 1.00 0.00 C ATOM 645 C ALA A 98 78.819 6.341 -14.950 1.00 0.00 C ATOM 646 O ALA A 98 78.480 5.326 -15.559 1.00 0.00 O ATOM 647 CB ALA A 98 79.047 5.710 -12.546 1.00 0.00 C ATOM 0 H ALA A 98 76.562 5.507 -13.933 1.00 0.00 H new ATOM 0 HA ALA A 98 78.488 7.654 -13.288 1.00 0.00 H new ATOM 0 HB1 ALA A 98 80.118 5.904 -12.609 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.699 5.920 -11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.852 4.665 -12.787 1.00 0.00 H new ATOM 653 N ALA A 99 79.641 7.256 -15.461 1.00 0.00 N ATOM 654 CA ALA A 99 80.199 7.113 -16.803 1.00 0.00 C ATOM 655 C ALA A 99 79.107 6.745 -17.803 1.00 0.00 C ATOM 656 O ALA A 99 79.361 6.050 -18.787 1.00 0.00 O ATOM 657 CB ALA A 99 81.282 6.032 -16.806 1.00 0.00 C ATOM 0 H ALA A 99 79.934 8.100 -14.968 1.00 0.00 H new ATOM 0 HA ALA A 99 80.637 8.067 -17.097 1.00 0.00 H new ATOM 0 HB1 ALA A 99 81.693 5.932 -17.811 1.00 0.00 H new ATOM 0 HB2 ALA A 99 82.077 6.312 -16.115 1.00 0.00 H new ATOM 0 HB3 ALA A 99 80.848 5.082 -16.495 1.00 0.00 H new ATOM 663 N ALA A 100 77.890 7.210 -17.540 1.00 0.00 N ATOM 664 CA ALA A 100 76.764 6.918 -18.420 1.00 0.00 C ATOM 665 C ALA A 100 75.717 8.025 -18.342 1.00 0.00 C ATOM 666 O ALA A 100 75.633 8.743 -17.346 1.00 0.00 O ATOM 667 CB ALA A 100 76.127 5.584 -18.027 1.00 0.00 C ATOM 0 H ALA A 100 77.659 7.786 -16.731 1.00 0.00 H new ATOM 0 HA ALA A 100 77.135 6.858 -19.443 1.00 0.00 H new ATOM 0 HB1 ALA A 100 75.287 5.373 -18.689 1.00 0.00 H new ATOM 0 HB2 ALA A 100 76.866 4.788 -18.114 1.00 0.00 H new ATOM 0 HB3 ALA A 100 75.773 5.639 -16.998 1.00 0.00 H new ATOM 673 N ASN A 101 74.920 8.153 -19.398 1.00 0.00 N ATOM 674 CA ASN A 101 73.878 9.172 -19.436 1.00 0.00 C ATOM 675 C ASN A 101 72.730 8.733 -20.340 1.00 0.00 C ATOM 676 O ASN A 101 72.852 7.763 -21.088 1.00 0.00 O ATOM 677 CB ASN A 101 74.460 10.489 -19.954 1.00 0.00 C ATOM 678 CG ASN A 101 74.953 10.313 -21.387 1.00 0.00 C ATOM 679 OD1 ASN A 101 74.904 9.209 -21.930 1.00 0.00 O ATOM 680 ND2 ASN A 101 75.427 11.340 -22.035 1.00 0.00 N ATOM 0 H ASN A 101 74.975 7.569 -20.232 1.00 0.00 H new ATOM 0 HA ASN A 101 73.495 9.313 -18.425 1.00 0.00 H new ATOM 0 HB2 ASN A 101 73.702 11.271 -19.915 1.00 0.00 H new ATOM 0 HB3 ASN A 101 75.282 10.809 -19.314 1.00 0.00 H new ATOM 0 HD21 ASN A 101 75.758 11.230 -22.993 1.00 0.00 H new ATOM 0 HD22 ASN A 101 75.467 12.254 -21.584 1.00 0.00 H new ATOM 687 N SER A 102 71.617 9.456 -20.269 1.00 0.00 N ATOM 688 CA SER A 102 70.455 9.135 -21.088 1.00 0.00 C ATOM 689 C SER A 102 69.541 10.349 -21.223 1.00 0.00 C ATOM 690 O SER A 102 69.409 11.143 -20.292 1.00 0.00 O ATOM 691 CB SER A 102 69.681 7.975 -20.462 1.00 0.00 C ATOM 692 OG SER A 102 68.555 7.670 -21.273 1.00 0.00 O ATOM 0 H SER A 102 71.496 10.263 -19.657 1.00 0.00 H new ATOM 0 HA SER A 102 70.801 8.846 -22.080 1.00 0.00 H new ATOM 0 HB2 SER A 102 70.325 7.100 -20.370 1.00 0.00 H new ATOM 0 HB3 SER A 102 69.358 8.240 -19.455 1.00 0.00 H new ATOM 0 HG SER A 102 68.057 6.925 -20.875 1.00 0.00 H new ATOM 698 N SER A 103 68.905 10.483 -22.382 1.00 0.00 N ATOM 699 CA SER A 103 67.999 11.601 -22.619 1.00 0.00 C ATOM 700 C SER A 103 68.677 12.927 -22.288 1.00 0.00 C ATOM 701 O SER A 103 68.079 13.796 -21.652 1.00 0.00 O ATOM 702 CB SER A 103 66.741 11.445 -21.764 1.00 0.00 C ATOM 703 OG SER A 103 66.072 10.245 -22.130 1.00 0.00 O ATOM 0 H SER A 103 68.999 9.837 -23.166 1.00 0.00 H new ATOM 0 HA SER A 103 67.726 11.600 -23.674 1.00 0.00 H new ATOM 0 HB2 SER A 103 67.006 11.420 -20.707 1.00 0.00 H new ATOM 0 HB3 SER A 103 66.082 12.301 -21.907 1.00 0.00 H new ATOM 0 HG SER A 103 65.266 10.140 -21.583 1.00 0.00 H new ATOM 709 N GLY A 104 69.924 13.079 -22.721 1.00 0.00 N ATOM 710 CA GLY A 104 70.662 14.309 -22.459 1.00 0.00 C ATOM 711 C GLY A 104 70.642 15.223 -23.679 1.00 0.00 C ATOM 712 O GLY A 104 71.150 14.868 -24.742 1.00 0.00 O ATOM 0 H GLY A 104 70.440 12.375 -23.249 1.00 0.00 H new ATOM 0 HA2 GLY A 104 70.225 14.826 -21.605 1.00 0.00 H new ATOM 0 HA3 GLY A 104 71.692 14.071 -22.194 1.00 0.00 H new ATOM 716 N ASP A 105 70.054 16.404 -23.515 1.00 0.00 N ATOM 717 CA ASP A 105 69.976 17.365 -24.608 1.00 0.00 C ATOM 718 C ASP A 105 71.372 17.799 -25.042 1.00 0.00 C ATOM 719 O ASP A 105 71.641 17.960 -26.233 1.00 0.00 O ATOM 720 CB ASP A 105 69.167 18.587 -24.171 1.00 0.00 C ATOM 721 CG ASP A 105 67.692 18.218 -24.054 1.00 0.00 C ATOM 722 OD1 ASP A 105 67.326 17.159 -24.536 1.00 0.00 O ATOM 723 OD2 ASP A 105 66.949 18.999 -23.483 1.00 0.00 O ATOM 0 H ASP A 105 69.628 16.716 -22.643 1.00 0.00 H new ATOM 0 HA ASP A 105 69.481 16.887 -25.453 1.00 0.00 H new ATOM 0 HB2 ASP A 105 69.536 18.955 -23.214 1.00 0.00 H new ATOM 0 HB3 ASP A 105 69.293 19.394 -24.892 1.00 0.00 H new ATOM 728 N GLY A 106 72.256 17.986 -24.068 1.00 0.00 N ATOM 729 CA GLY A 106 73.624 18.399 -24.360 1.00 0.00 C ATOM 730 C GLY A 106 74.556 18.037 -23.209 1.00 0.00 C ATOM 731 O GLY A 106 74.105 17.752 -22.100 1.00 0.00 O ATOM 0 H GLY A 106 72.052 17.859 -23.077 1.00 0.00 H new ATOM 0 HA2 GLY A 106 73.966 17.918 -25.276 1.00 0.00 H new ATOM 0 HA3 GLY A 106 73.655 19.475 -24.534 1.00 0.00 H new ATOM 735 N GLY A 107 75.856 18.049 -23.480 1.00 0.00 N ATOM 736 CA GLY A 107 76.839 17.717 -22.455 1.00 0.00 C ATOM 737 C GLY A 107 76.590 16.319 -21.901 1.00 0.00 C ATOM 738 O GLY A 107 76.434 15.360 -22.657 1.00 0.00 O ATOM 0 H GLY A 107 76.251 18.282 -24.391 1.00 0.00 H new ATOM 0 HA2 GLY A 107 77.843 17.773 -22.875 1.00 0.00 H new ATOM 0 HA3 GLY A 107 76.790 18.447 -21.647 1.00 0.00 H new ATOM 742 N ALA A 108 76.550 16.212 -20.577 1.00 0.00 N ATOM 743 CA ALA A 108 76.316 14.926 -19.930 1.00 0.00 C ATOM 744 C ALA A 108 75.186 15.041 -18.912 1.00 0.00 C ATOM 745 O ALA A 108 75.065 16.050 -18.217 1.00 0.00 O ATOM 746 CB ALA A 108 77.593 14.453 -19.233 1.00 0.00 C ATOM 0 H ALA A 108 76.676 16.994 -19.935 1.00 0.00 H new ATOM 0 HA ALA A 108 76.031 14.200 -20.691 1.00 0.00 H new ATOM 0 HB1 ALA A 108 77.410 13.492 -18.752 1.00 0.00 H new ATOM 0 HB2 ALA A 108 78.390 14.345 -19.968 1.00 0.00 H new ATOM 0 HB3 ALA A 108 77.889 15.184 -18.481 1.00 0.00 H new ATOM 752 N ALA A 109 74.359 14.004 -18.831 1.00 0.00 N ATOM 753 CA ALA A 109 73.240 14.006 -17.896 1.00 0.00 C ATOM 754 C ALA A 109 73.398 12.899 -16.861 1.00 0.00 C ATOM 755 O ALA A 109 73.765 11.772 -17.193 1.00 0.00 O ATOM 756 CB ALA A 109 71.926 13.808 -18.652 1.00 0.00 C ATOM 0 H ALA A 109 74.441 13.159 -19.396 1.00 0.00 H new ATOM 0 HA ALA A 109 73.227 14.968 -17.384 1.00 0.00 H new ATOM 0 HB1 ALA A 109 71.096 13.811 -17.946 1.00 0.00 H new ATOM 0 HB2 ALA A 109 71.794 14.617 -19.370 1.00 0.00 H new ATOM 0 HB3 ALA A 109 71.950 12.855 -19.180 1.00 0.00 H new ATOM 762 N GLY A 110 73.116 13.231 -15.607 1.00 0.00 N ATOM 763 CA GLY A 110 73.227 12.262 -14.530 1.00 0.00 C ATOM 764 C GLY A 110 74.628 12.273 -13.941 1.00 0.00 C ATOM 765 O GLY A 110 75.542 12.871 -14.508 1.00 0.00 O ATOM 0 H GLY A 110 72.811 14.159 -15.314 1.00 0.00 H new ATOM 0 HA2 GLY A 110 72.498 12.490 -13.752 1.00 0.00 H new ATOM 0 HA3 GLY A 110 72.992 11.266 -14.905 1.00 0.00 H new ATOM 769 N ASP A 111 74.784 11.607 -12.803 1.00 0.00 N ATOM 770 CA ASP A 111 76.083 11.535 -12.136 1.00 0.00 C ATOM 771 C ASP A 111 76.482 12.901 -11.581 1.00 0.00 C ATOM 772 O ASP A 111 77.215 13.654 -12.225 1.00 0.00 O ATOM 773 CB ASP A 111 77.157 11.042 -13.111 1.00 0.00 C ATOM 774 CG ASP A 111 78.373 10.540 -12.340 1.00 0.00 C ATOM 775 OD1 ASP A 111 78.239 10.296 -11.153 1.00 0.00 O ATOM 776 OD2 ASP A 111 79.423 10.410 -12.948 1.00 0.00 O ATOM 0 H ASP A 111 74.033 11.111 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 111 75.999 10.830 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.755 10.242 -13.733 1.00 0.00 H new ATOM 0 HB3 ASP A 111 77.450 11.850 -13.781 1.00 0.00 H new ATOM 781 N GLY A 112 75.971 13.225 -10.397 1.00 0.00 N ATOM 782 CA GLY A 112 76.248 14.509 -9.775 1.00 0.00 C ATOM 783 C GLY A 112 75.011 15.390 -9.838 1.00 0.00 C ATOM 784 O GLY A 112 74.893 16.370 -9.103 1.00 0.00 O ATOM 0 H GLY A 112 75.363 12.614 -9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 112 76.549 14.363 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 112 77.080 14.997 -10.283 1.00 0.00 H new ATOM 788 N THR A 113 74.080 15.018 -10.709 1.00 0.00 N ATOM 789 CA THR A 113 72.845 15.750 -10.852 1.00 0.00 C ATOM 790 C THR A 113 71.673 14.861 -10.451 1.00 0.00 C ATOM 791 O THR A 113 71.599 14.410 -9.310 1.00 0.00 O ATOM 792 CB THR A 113 72.702 16.289 -12.280 1.00 0.00 C ATOM 793 OG1 THR A 113 72.762 15.210 -13.200 1.00 0.00 O ATOM 794 CG2 THR A 113 73.831 17.280 -12.573 1.00 0.00 C ATOM 0 H THR A 113 74.166 14.210 -11.325 1.00 0.00 H new ATOM 0 HA THR A 113 72.852 16.613 -10.187 1.00 0.00 H new ATOM 0 HB THR A 113 71.744 16.799 -12.381 1.00 0.00 H new ATOM 0 HG1 THR A 113 73.516 15.343 -13.811 1.00 0.00 H new ATOM 0 HG21 THR A 113 73.726 17.661 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 113 73.780 18.109 -11.867 1.00 0.00 H new ATOM 0 HG23 THR A 113 74.792 16.777 -12.472 1.00 0.00 H new ATOM 802 N VAL A 114 70.762 14.613 -11.378 1.00 0.00 N ATOM 803 CA VAL A 114 69.606 13.785 -11.093 1.00 0.00 C ATOM 804 C VAL A 114 70.049 12.368 -10.748 1.00 0.00 C ATOM 805 O VAL A 114 71.110 11.915 -11.175 1.00 0.00 O ATOM 806 CB VAL A 114 68.689 13.763 -12.323 1.00 0.00 C ATOM 807 CG1 VAL A 114 68.517 15.186 -12.862 1.00 0.00 C ATOM 808 CG2 VAL A 114 69.323 12.890 -13.405 1.00 0.00 C ATOM 0 H VAL A 114 70.802 14.973 -12.331 1.00 0.00 H new ATOM 0 HA VAL A 114 69.065 14.197 -10.241 1.00 0.00 H new ATOM 0 HB VAL A 114 67.715 13.360 -12.043 1.00 0.00 H new ATOM 0 HG11 VAL A 114 67.865 15.168 -13.736 1.00 0.00 H new ATOM 0 HG12 VAL A 114 68.073 15.816 -12.091 1.00 0.00 H new ATOM 0 HG13 VAL A 114 69.490 15.589 -13.144 1.00 0.00 H new ATOM 0 HG21 VAL A 114 68.676 12.870 -14.282 1.00 0.00 H new ATOM 0 HG22 VAL A 114 70.295 13.300 -13.680 1.00 0.00 H new ATOM 0 HG23 VAL A 114 69.451 11.876 -13.026 1.00 0.00 H new ATOM 818 N VAL A 115 69.237 11.683 -9.955 1.00 0.00 N ATOM 819 CA VAL A 115 69.557 10.325 -9.534 1.00 0.00 C ATOM 820 C VAL A 115 68.396 9.386 -9.817 1.00 0.00 C ATOM 821 O VAL A 115 67.232 9.759 -9.663 1.00 0.00 O ATOM 822 CB VAL A 115 69.872 10.312 -8.045 1.00 0.00 C ATOM 823 CG1 VAL A 115 70.186 8.884 -7.590 1.00 0.00 C ATOM 824 CG2 VAL A 115 71.072 11.229 -7.778 1.00 0.00 C ATOM 0 H VAL A 115 68.355 12.043 -9.591 1.00 0.00 H new ATOM 0 HA VAL A 115 70.426 9.983 -10.097 1.00 0.00 H new ATOM 0 HB VAL A 115 69.009 10.672 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 115 70.410 8.883 -6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 115 69.325 8.244 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 115 71.047 8.507 -8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 115 71.303 11.225 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.936 10.871 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.831 12.244 -8.093 1.00 0.00 H new ATOM 834 N ASP A 116 68.715 8.168 -10.233 1.00 0.00 N ATOM 835 CA ASP A 116 67.673 7.200 -10.531 1.00 0.00 C ATOM 836 C ASP A 116 67.179 6.574 -9.247 1.00 0.00 C ATOM 837 O ASP A 116 67.953 6.050 -8.456 1.00 0.00 O ATOM 838 CB ASP A 116 68.195 6.106 -11.454 1.00 0.00 C ATOM 839 CG ASP A 116 68.803 6.725 -12.706 1.00 0.00 C ATOM 840 OD1 ASP A 116 68.138 7.539 -13.324 1.00 0.00 O ATOM 841 OD2 ASP A 116 69.929 6.380 -13.024 1.00 0.00 O ATOM 0 H ASP A 116 69.669 7.833 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 116 66.856 7.720 -11.031 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.943 5.507 -10.935 1.00 0.00 H new ATOM 0 HB3 ASP A 116 67.383 5.433 -11.729 1.00 0.00 H new ATOM 846 N CYS A 117 65.884 6.655 -9.054 1.00 0.00 N ATOM 847 CA CYS A 117 65.246 6.127 -7.864 1.00 0.00 C ATOM 848 C CYS A 117 64.455 4.860 -8.202 1.00 0.00 C ATOM 849 O CYS A 117 63.751 4.837 -9.189 1.00 0.00 O ATOM 850 CB CYS A 117 64.292 7.192 -7.353 1.00 0.00 C ATOM 851 SG CYS A 117 63.531 6.648 -5.805 1.00 0.00 S ATOM 0 H CYS A 117 65.240 7.088 -9.716 1.00 0.00 H new ATOM 0 HA CYS A 117 65.996 5.874 -7.114 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.829 8.127 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.521 7.389 -8.098 1.00 0.00 H new ATOM 856 N PRO A 118 64.527 3.809 -7.436 1.00 0.00 N ATOM 857 CA PRO A 118 63.755 2.573 -7.759 1.00 0.00 C ATOM 858 C PRO A 118 62.247 2.815 -7.835 1.00 0.00 C ATOM 859 O PRO A 118 61.500 1.941 -8.272 1.00 0.00 O ATOM 860 CB PRO A 118 64.080 1.617 -6.612 1.00 0.00 C ATOM 861 CG PRO A 118 64.611 2.480 -5.516 1.00 0.00 C ATOM 862 CD PRO A 118 65.318 3.640 -6.206 1.00 0.00 C ATOM 0 HA PRO A 118 64.029 2.187 -8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.192 1.074 -6.289 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.815 0.873 -6.917 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.805 2.839 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.300 1.925 -4.880 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.312 4.541 -5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.361 3.409 -6.423 1.00 0.00 H new ATOM 870 N VAL A 119 61.794 3.984 -7.395 1.00 0.00 N ATOM 871 CA VAL A 119 60.363 4.284 -7.416 1.00 0.00 C ATOM 872 C VAL A 119 59.965 5.039 -8.686 1.00 0.00 C ATOM 873 O VAL A 119 59.153 4.555 -9.474 1.00 0.00 O ATOM 874 CB VAL A 119 59.995 5.116 -6.188 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.473 5.274 -6.109 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.506 4.414 -4.926 1.00 0.00 C ATOM 0 H VAL A 119 62.384 4.729 -7.025 1.00 0.00 H new ATOM 0 HA VAL A 119 59.821 3.339 -7.402 1.00 0.00 H new ATOM 0 HB VAL A 119 60.454 6.102 -6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.214 5.868 -5.232 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.112 5.776 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL A 119 58.009 4.291 -6.032 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.244 5.006 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 119 60.048 3.428 -4.848 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.589 4.308 -4.982 1.00 0.00 H new ATOM 886 N CYS A 120 60.542 6.221 -8.882 1.00 0.00 N ATOM 887 CA CYS A 120 60.235 7.019 -10.067 1.00 0.00 C ATOM 888 C CYS A 120 61.310 6.829 -11.134 1.00 0.00 C ATOM 889 O CYS A 120 61.046 6.959 -12.330 1.00 0.00 O ATOM 890 CB CYS A 120 60.114 8.503 -9.694 1.00 0.00 C ATOM 891 SG CYS A 120 61.500 8.997 -8.633 1.00 0.00 S ATOM 0 H CYS A 120 61.217 6.644 -8.245 1.00 0.00 H new ATOM 0 HA CYS A 120 59.281 6.681 -10.472 1.00 0.00 H new ATOM 0 HB2 CYS A 120 60.103 9.113 -10.597 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.170 8.680 -9.178 1.00 0.00 H new ATOM 896 N LYS A 121 62.513 6.490 -10.690 1.00 0.00 N ATOM 897 CA LYS A 121 63.631 6.247 -11.603 1.00 0.00 C ATOM 898 C LYS A 121 63.900 7.471 -12.476 1.00 0.00 C ATOM 899 O LYS A 121 64.283 7.353 -13.641 1.00 0.00 O ATOM 900 CB LYS A 121 63.322 5.015 -12.470 1.00 0.00 C ATOM 901 CG LYS A 121 63.981 3.763 -11.876 1.00 0.00 C ATOM 902 CD LYS A 121 62.916 2.839 -11.271 1.00 0.00 C ATOM 903 CE LYS A 121 63.476 1.419 -11.206 1.00 0.00 C ATOM 904 NZ LYS A 121 62.508 0.522 -10.510 1.00 0.00 N ATOM 0 H LYS A 121 62.744 6.376 -9.703 1.00 0.00 H new ATOM 0 HA LYS A 121 64.531 6.057 -11.019 1.00 0.00 H new ATOM 0 HB2 LYS A 121 62.244 4.870 -12.535 1.00 0.00 H new ATOM 0 HB3 LYS A 121 63.684 5.177 -13.485 1.00 0.00 H new ATOM 0 HG2 LYS A 121 64.535 3.233 -12.651 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.701 4.051 -11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.641 3.182 -10.274 1.00 0.00 H new ATOM 0 HD3 LYS A 121 62.010 2.860 -11.877 1.00 0.00 H new ATOM 0 HE2 LYS A 121 63.669 1.049 -12.213 1.00 0.00 H new ATOM 0 HE3 LYS A 121 64.430 1.419 -10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.997 -0.341 -10.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 62.112 1.013 -9.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.739 0.268 -11.163 1.00 0.00 H new ATOM 918 N GLN A 122 63.709 8.649 -11.896 1.00 0.00 N ATOM 919 CA GLN A 122 63.946 9.892 -12.619 1.00 0.00 C ATOM 920 C GLN A 122 63.953 11.080 -11.669 1.00 0.00 C ATOM 921 O GLN A 122 63.197 11.118 -10.699 1.00 0.00 O ATOM 922 CB GLN A 122 62.871 10.108 -13.673 1.00 0.00 C ATOM 923 CG GLN A 122 63.198 11.368 -14.473 1.00 0.00 C ATOM 924 CD GLN A 122 62.138 11.560 -15.552 1.00 0.00 C ATOM 925 OE1 GLN A 122 61.271 10.703 -15.726 1.00 0.00 O ATOM 926 NE2 GLN A 122 62.149 12.635 -16.288 1.00 0.00 N ATOM 0 H GLN A 122 63.393 8.770 -10.934 1.00 0.00 H new ATOM 0 HA GLN A 122 64.921 9.813 -13.101 1.00 0.00 H new ATOM 0 HB2 GLN A 122 62.817 9.245 -14.337 1.00 0.00 H new ATOM 0 HB3 GLN A 122 61.895 10.207 -13.199 1.00 0.00 H new ATOM 0 HG2 GLN A 122 63.226 12.236 -13.814 1.00 0.00 H new ATOM 0 HG3 GLN A 122 64.185 11.280 -14.926 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.867 13.345 -16.144 1.00 0.00 H new ATOM 0 HE22 GLN A 122 61.439 12.767 -17.009 1.00 0.00 H new ATOM 935 N GLN A 123 64.799 12.055 -11.965 1.00 0.00 N ATOM 936 CA GLN A 123 64.885 13.252 -11.143 1.00 0.00 C ATOM 937 C GLN A 123 65.222 14.463 -11.994 1.00 0.00 C ATOM 938 O GLN A 123 65.833 14.334 -13.049 1.00 0.00 O ATOM 939 CB GLN A 123 65.946 13.070 -10.055 1.00 0.00 C ATOM 940 CG GLN A 123 65.256 12.803 -8.713 1.00 0.00 C ATOM 941 CD GLN A 123 64.431 14.019 -8.306 1.00 0.00 C ATOM 942 OE1 GLN A 123 63.277 13.881 -7.900 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.951 15.212 -8.407 1.00 0.00 N ATOM 0 H GLN A 123 65.433 12.041 -12.764 1.00 0.00 H new ATOM 0 HA GLN A 123 63.915 13.415 -10.673 1.00 0.00 H new ATOM 0 HB2 GLN A 123 66.605 12.240 -10.309 1.00 0.00 H new ATOM 0 HB3 GLN A 123 66.569 13.962 -9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 123 64.614 11.926 -8.792 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.001 12.585 -7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.907 15.325 -8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 123 64.401 16.032 -8.149 1.00 0.00 H new ATOM 952 N CYS A 124 64.816 15.640 -11.530 1.00 0.00 N ATOM 953 CA CYS A 124 65.093 16.868 -12.260 1.00 0.00 C ATOM 954 C CYS A 124 66.352 17.530 -11.716 1.00 0.00 C ATOM 955 O CYS A 124 67.211 17.978 -12.476 1.00 0.00 O ATOM 956 CB CYS A 124 63.912 17.834 -12.139 1.00 0.00 C ATOM 957 SG CYS A 124 62.475 17.139 -12.992 1.00 0.00 S ATOM 0 H CYS A 124 64.299 15.768 -10.660 1.00 0.00 H new ATOM 0 HA CYS A 124 65.244 16.619 -13.310 1.00 0.00 H new ATOM 0 HB2 CYS A 124 63.676 18.008 -11.089 1.00 0.00 H new ATOM 0 HB3 CYS A 124 64.173 18.800 -12.571 1.00 0.00 H new ATOM 0 HG CYS A 124 61.471 17.958 -12.888 1.00 0.00 H new ATOM 963 N PHE A 125 66.454 17.584 -10.391 1.00 0.00 N ATOM 964 CA PHE A 125 67.612 18.190 -9.745 1.00 0.00 C ATOM 965 C PHE A 125 67.988 17.411 -8.502 1.00 0.00 C ATOM 966 O PHE A 125 67.171 16.676 -7.951 1.00 0.00 O ATOM 967 CB PHE A 125 67.289 19.613 -9.327 1.00 0.00 C ATOM 968 CG PHE A 125 66.672 20.339 -10.491 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.292 20.560 -10.520 1.00 0.00 C ATOM 970 CD2 PHE A 125 67.477 20.783 -11.544 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.715 21.228 -11.604 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.902 21.452 -12.629 1.00 0.00 C ATOM 973 CZ PHE A 125 65.519 21.675 -12.659 1.00 0.00 C ATOM 0 H PHE A 125 65.753 17.217 -9.748 1.00 0.00 H new ATOM 0 HA PHE A 125 68.438 18.182 -10.456 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.603 19.610 -8.480 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.195 20.124 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.672 20.215 -9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 125 68.543 20.609 -11.520 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.649 21.399 -11.627 1.00 0.00 H new ATOM 0 HE2 PHE A 125 67.523 21.796 -13.443 1.00 0.00 H new ATOM 0 HZ PHE A 125 65.073 22.192 -13.496 1.00 0.00 H new ATOM 983 N SER A 126 69.220 17.586 -8.057 1.00 0.00 N ATOM 984 CA SER A 126 69.679 16.901 -6.872 1.00 0.00 C ATOM 985 C SER A 126 69.709 17.835 -5.657 1.00 0.00 C ATOM 986 O SER A 126 70.488 17.638 -4.723 1.00 0.00 O ATOM 987 CB SER A 126 71.066 16.328 -7.126 1.00 0.00 C ATOM 988 OG SER A 126 71.616 16.934 -8.286 1.00 0.00 O ATOM 0 H SER A 126 69.912 18.192 -8.497 1.00 0.00 H new ATOM 0 HA SER A 126 68.980 16.095 -6.650 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.711 16.509 -6.266 1.00 0.00 H new ATOM 0 HB3 SER A 126 71.008 15.248 -7.258 1.00 0.00 H new ATOM 0 HG SER A 126 72.519 17.260 -8.088 1.00 0.00 H new ATOM 994 N LYS A 127 68.859 18.851 -5.675 1.00 0.00 N ATOM 995 CA LYS A 127 68.806 19.808 -4.570 1.00 0.00 C ATOM 996 C LYS A 127 68.420 19.126 -3.258 1.00 0.00 C ATOM 997 O LYS A 127 68.985 19.425 -2.206 1.00 0.00 O ATOM 998 CB LYS A 127 67.794 20.905 -4.873 1.00 0.00 C ATOM 999 CG LYS A 127 68.318 21.791 -6.003 1.00 0.00 C ATOM 1000 CD LYS A 127 67.439 23.040 -6.132 1.00 0.00 C ATOM 1001 CE LYS A 127 66.040 22.659 -6.635 1.00 0.00 C ATOM 1002 NZ LYS A 127 66.118 22.143 -8.035 1.00 0.00 N ATOM 0 H LYS A 127 68.201 19.037 -6.432 1.00 0.00 H new ATOM 0 HA LYS A 127 69.802 20.238 -4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 127 66.839 20.464 -5.157 1.00 0.00 H new ATOM 0 HB3 LYS A 127 67.615 21.505 -3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 127 69.350 22.080 -5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 127 68.319 21.237 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 127 67.362 23.540 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 127 67.900 23.748 -6.821 1.00 0.00 H new ATOM 0 HE2 LYS A 127 65.605 21.901 -5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 127 65.382 23.527 -6.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 65.702 22.840 -8.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 67.113 21.982 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 65.593 21.248 -8.105 1.00 0.00 H new ATOM 1016 N ASP A 128 67.457 18.214 -3.323 1.00 0.00 N ATOM 1017 CA ASP A 128 67.009 17.504 -2.131 1.00 0.00 C ATOM 1018 C ASP A 128 67.528 16.068 -2.112 1.00 0.00 C ATOM 1019 O ASP A 128 67.020 15.231 -1.372 1.00 0.00 O ATOM 1020 CB ASP A 128 65.484 17.504 -2.073 1.00 0.00 C ATOM 1021 CG ASP A 128 64.983 18.906 -1.747 1.00 0.00 C ATOM 1022 OD1 ASP A 128 65.793 19.723 -1.343 1.00 0.00 O ATOM 1023 OD2 ASP A 128 63.797 19.141 -1.905 1.00 0.00 O ATOM 0 H ASP A 128 66.974 17.950 -4.182 1.00 0.00 H new ATOM 0 HA ASP A 128 67.410 18.020 -1.258 1.00 0.00 H new ATOM 0 HB2 ASP A 128 65.074 17.174 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 128 65.139 16.799 -1.317 1.00 0.00 H new ATOM 1028 N ILE A 129 68.531 15.786 -2.935 1.00 0.00 N ATOM 1029 CA ILE A 129 69.098 14.445 -3.009 1.00 0.00 C ATOM 1030 C ILE A 129 70.022 14.174 -1.830 1.00 0.00 C ATOM 1031 O ILE A 129 70.132 15.012 -0.934 1.00 0.00 O ATOM 1032 CB ILE A 129 69.831 14.289 -4.339 1.00 0.00 C ATOM 1033 CG1 ILE A 129 69.718 12.847 -4.835 1.00 0.00 C ATOM 1034 CG2 ILE A 129 71.290 14.667 -4.192 1.00 0.00 C ATOM 1035 CD1 ILE A 129 68.727 12.768 -5.994 1.00 0.00 C ATOM 0 H ILE A 129 68.967 16.465 -3.558 1.00 0.00 H new ATOM 0 HA ILE A 129 68.295 13.710 -2.956 1.00 0.00 H new ATOM 0 HB ILE A 129 69.369 14.957 -5.066 1.00 0.00 H new ATOM 0 HG12 ILE A 129 70.695 12.487 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 129 69.391 12.199 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.795 14.549 -5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 129 71.366 15.705 -3.867 1.00 0.00 H new ATOM 0 HG23 ILE A 129 71.761 14.020 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 129 68.654 11.737 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 129 67.747 13.109 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 129 69.072 13.402 -6.811 1.00 0.00 H new ATOM 1047 N VAL A 130 70.655 12.989 -1.831 1.00 0.00 N ATOM 1048 CA VAL A 130 71.555 12.590 -0.766 1.00 0.00 C ATOM 1049 C VAL A 130 72.373 13.781 -0.314 1.00 0.00 C ATOM 1050 O VAL A 130 73.294 14.194 -1.005 1.00 0.00 O ATOM 1051 CB VAL A 130 72.479 11.471 -1.262 1.00 0.00 C ATOM 1052 CG1 VAL A 130 71.726 10.147 -1.227 1.00 0.00 C ATOM 1053 CG2 VAL A 130 72.922 11.751 -2.702 1.00 0.00 C ATOM 0 H VAL A 130 70.550 12.294 -2.570 1.00 0.00 H new ATOM 0 HA VAL A 130 70.974 12.220 0.079 1.00 0.00 H new ATOM 0 HB VAL A 130 73.357 11.424 -0.617 1.00 0.00 H new ATOM 0 HG11 VAL A 130 72.379 9.348 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 130 71.411 9.935 -0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 130 70.849 10.210 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 130 73.578 10.950 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 130 72.046 11.803 -3.349 1.00 0.00 H new ATOM 0 HG23 VAL A 130 73.458 12.699 -2.740 1.00 0.00 H new ATOM 1063 N GLU A 131 71.981 14.325 0.842 1.00 0.00 N ATOM 1064 CA GLU A 131 72.619 15.502 1.442 1.00 0.00 C ATOM 1065 C GLU A 131 71.721 16.144 2.480 1.00 0.00 C ATOM 1066 O GLU A 131 72.187 16.915 3.318 1.00 0.00 O ATOM 1067 CB GLU A 131 72.874 16.573 0.399 1.00 0.00 C ATOM 1068 CG GLU A 131 74.351 16.553 0.016 1.00 0.00 C ATOM 1069 CD GLU A 131 74.547 17.141 -1.376 1.00 0.00 C ATOM 1070 OE1 GLU A 131 73.669 17.859 -1.824 1.00 0.00 O ATOM 1071 OE2 GLU A 131 75.574 16.864 -1.974 1.00 0.00 O ATOM 0 H GLU A 131 71.205 13.958 1.393 1.00 0.00 H new ATOM 0 HA GLU A 131 73.549 15.148 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.255 16.397 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.600 17.553 0.791 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.929 17.123 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.726 15.530 0.042 1.00 0.00 H new ATOM 1078 N ASN A 132 70.427 15.872 2.385 1.00 0.00 N ATOM 1079 CA ASN A 132 69.482 16.488 3.293 1.00 0.00 C ATOM 1080 C ASN A 132 68.956 15.499 4.326 1.00 0.00 C ATOM 1081 O ASN A 132 67.818 15.622 4.780 1.00 0.00 O ATOM 1082 CB ASN A 132 68.323 17.101 2.507 1.00 0.00 C ATOM 1083 CG ASN A 132 68.757 18.421 1.868 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.869 19.437 2.557 1.00 0.00 O ATOM 1085 ND2 ASN A 132 69.002 18.473 0.586 1.00 0.00 N ATOM 0 H ASN A 132 70.017 15.239 1.699 1.00 0.00 H new ATOM 0 HA ASN A 132 70.008 17.274 3.834 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.990 16.407 1.735 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.474 17.271 3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 132 69.286 19.354 0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.910 17.633 0.015 1.00 0.00 H new ATOM 1092 N TYR A 133 69.787 14.522 4.684 1.00 0.00 N ATOM 1093 CA TYR A 133 69.413 13.513 5.656 1.00 0.00 C ATOM 1094 C TYR A 133 68.670 14.133 6.845 1.00 0.00 C ATOM 1095 O TYR A 133 69.198 14.988 7.553 1.00 0.00 O ATOM 1096 CB TYR A 133 70.683 12.799 6.132 1.00 0.00 C ATOM 1097 CG TYR A 133 71.624 13.770 6.807 1.00 0.00 C ATOM 1098 CD1 TYR A 133 71.642 13.857 8.198 1.00 0.00 C ATOM 1099 CD2 TYR A 133 72.473 14.583 6.044 1.00 0.00 C ATOM 1100 CE1 TYR A 133 72.505 14.754 8.836 1.00 0.00 C ATOM 1101 CE2 TYR A 133 73.339 15.481 6.679 1.00 0.00 C ATOM 1102 CZ TYR A 133 73.354 15.568 8.077 1.00 0.00 C ATOM 1103 OH TYR A 133 74.206 16.454 8.709 1.00 0.00 O ATOM 0 H TYR A 133 70.729 14.413 4.309 1.00 0.00 H new ATOM 0 HA TYR A 133 68.736 12.799 5.188 1.00 0.00 H new ATOM 0 HB2 TYR A 133 70.418 12.001 6.825 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.183 12.332 5.283 1.00 0.00 H new ATOM 0 HD1 TYR A 133 70.987 13.230 8.785 1.00 0.00 H new ATOM 0 HD2 TYR A 133 72.459 14.517 4.966 1.00 0.00 H new ATOM 0 HE1 TYR A 133 72.516 14.819 9.914 1.00 0.00 H new ATOM 0 HE2 TYR A 133 73.995 16.106 6.092 1.00 0.00 H new ATOM 0 HH TYR A 133 74.727 16.942 8.038 1.00 0.00 H new ATOM 1113 N PHE A 134 67.422 13.716 7.040 1.00 0.00 N ATOM 1114 CA PHE A 134 66.618 14.248 8.135 1.00 0.00 C ATOM 1115 C PHE A 134 67.229 13.895 9.488 1.00 0.00 C ATOM 1116 O PHE A 134 67.436 14.771 10.329 1.00 0.00 O ATOM 1117 CB PHE A 134 65.201 13.682 8.058 1.00 0.00 C ATOM 1118 CG PHE A 134 64.401 14.169 9.234 1.00 0.00 C ATOM 1119 CD1 PHE A 134 63.834 15.436 9.192 1.00 0.00 C ATOM 1120 CD2 PHE A 134 64.232 13.359 10.363 1.00 0.00 C ATOM 1121 CE1 PHE A 134 63.091 15.911 10.278 1.00 0.00 C ATOM 1122 CE2 PHE A 134 63.489 13.827 11.453 1.00 0.00 C ATOM 1123 CZ PHE A 134 62.917 15.105 11.410 1.00 0.00 C ATOM 0 H PHE A 134 66.951 13.020 6.462 1.00 0.00 H new ATOM 0 HA PHE A 134 66.591 15.333 8.039 1.00 0.00 H new ATOM 0 HB2 PHE A 134 64.725 13.991 7.128 1.00 0.00 H new ATOM 0 HB3 PHE A 134 65.233 12.592 8.053 1.00 0.00 H new ATOM 0 HD1 PHE A 134 63.967 16.057 8.318 1.00 0.00 H new ATOM 0 HD2 PHE A 134 64.674 12.374 10.393 1.00 0.00 H new ATOM 0 HE1 PHE A 134 62.652 16.897 10.244 1.00 0.00 H new ATOM 0 HE2 PHE A 134 63.357 13.204 12.325 1.00 0.00 H new ATOM 0 HZ PHE A 134 62.342 15.468 12.249 1.00 0.00 H new ATOM 1133 N MET A 135 67.513 12.604 9.686 1.00 0.00 N ATOM 1134 CA MET A 135 68.095 12.115 10.931 1.00 0.00 C ATOM 1135 C MET A 135 68.101 10.587 10.952 1.00 0.00 C ATOM 1136 O MET A 135 67.830 9.939 9.941 1.00 0.00 O ATOM 1137 CB MET A 135 67.288 12.620 12.127 1.00 0.00 C ATOM 1138 CG MET A 135 68.214 13.377 13.081 1.00 0.00 C ATOM 1139 SD MET A 135 67.509 13.360 14.747 1.00 0.00 S ATOM 1140 CE MET A 135 65.824 13.827 14.284 1.00 0.00 C ATOM 0 H MET A 135 67.346 11.876 8.991 1.00 0.00 H new ATOM 0 HA MET A 135 69.118 12.486 10.995 1.00 0.00 H new ATOM 0 HB2 MET A 135 66.484 13.273 11.788 1.00 0.00 H new ATOM 0 HB3 MET A 135 66.821 11.782 12.644 1.00 0.00 H new ATOM 0 HG2 MET A 135 69.202 12.916 13.088 1.00 0.00 H new ATOM 0 HG3 MET A 135 68.344 14.404 12.740 1.00 0.00 H new ATOM 0 HE1 MET A 135 65.308 14.236 15.153 1.00 0.00 H new ATOM 0 HE2 MET A 135 65.858 14.578 13.495 1.00 0.00 H new ATOM 0 HE3 MET A 135 65.289 12.948 13.925 1.00 0.00 H new ATOM 1150 N ARG A 136 68.385 10.021 12.122 1.00 0.00 N ATOM 1151 CA ARG A 136 68.398 8.576 12.288 1.00 0.00 C ATOM 1152 C ARG A 136 67.306 8.157 13.263 1.00 0.00 C ATOM 1153 O ARG A 136 67.518 8.121 14.475 1.00 0.00 O ATOM 1154 CB ARG A 136 69.753 8.116 12.820 1.00 0.00 C ATOM 1155 CG ARG A 136 70.815 8.324 11.746 1.00 0.00 C ATOM 1156 CD ARG A 136 72.079 7.562 12.134 1.00 0.00 C ATOM 1157 NE ARG A 136 72.620 8.077 13.389 1.00 0.00 N ATOM 1158 CZ ARG A 136 73.396 9.162 13.429 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.690 9.819 12.333 1.00 0.00 N ATOM 1160 NH2 ARG A 136 73.868 9.573 14.575 1.00 0.00 N ATOM 0 H ARG A 136 68.609 10.544 12.968 1.00 0.00 H new ATOM 0 HA ARG A 136 68.219 8.113 11.317 1.00 0.00 H new ATOM 0 HB2 ARG A 136 70.013 8.677 13.718 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.707 7.064 13.103 1.00 0.00 H new ATOM 0 HG2 ARG A 136 70.447 7.974 10.782 1.00 0.00 H new ATOM 0 HG3 ARG A 136 71.035 9.386 11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.854 6.500 12.236 1.00 0.00 H new ATOM 0 HD3 ARG A 136 72.824 7.655 11.344 1.00 0.00 H new ATOM 0 HE ARG A 136 72.398 7.594 14.260 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.324 9.502 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.284 10.647 12.378 1.00 0.00 H new ATOM 0 HH21 ARG A 136 73.643 9.066 15.431 1.00 0.00 H new ATOM 0 HH22 ARG A 136 74.462 10.401 14.614 1.00 0.00 H new ATOM 1174 N ASP A 137 66.142 7.839 12.722 1.00 0.00 N ATOM 1175 CA ASP A 137 65.009 7.415 13.539 1.00 0.00 C ATOM 1176 C ASP A 137 65.261 6.037 14.153 1.00 0.00 C ATOM 1177 O ASP A 137 64.502 5.583 15.010 1.00 0.00 O ATOM 1178 CB ASP A 137 63.743 7.373 12.690 1.00 0.00 C ATOM 1179 CG ASP A 137 63.291 8.790 12.351 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.800 9.715 12.964 1.00 0.00 O ATOM 1181 OD2 ASP A 137 62.442 8.931 11.487 1.00 0.00 O ATOM 0 H ASP A 137 65.953 7.865 11.720 1.00 0.00 H new ATOM 0 HA ASP A 137 64.884 8.136 14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.929 6.813 11.773 1.00 0.00 H new ATOM 0 HB3 ASP A 137 62.952 6.850 13.228 1.00 0.00 H new ATOM 1186 N SER A 138 66.324 5.370 13.703 1.00 0.00 N ATOM 1187 CA SER A 138 66.657 4.046 14.208 1.00 0.00 C ATOM 1188 C SER A 138 67.019 4.117 15.687 1.00 0.00 C ATOM 1189 O SER A 138 67.424 5.167 16.187 1.00 0.00 O ATOM 1190 CB SER A 138 67.857 3.499 13.437 1.00 0.00 C ATOM 1191 OG SER A 138 69.014 4.231 13.815 1.00 0.00 O ATOM 0 H SER A 138 66.964 5.726 12.993 1.00 0.00 H new ATOM 0 HA SER A 138 65.792 3.395 14.079 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.993 2.439 13.653 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.688 3.587 12.364 1.00 0.00 H new ATOM 0 HG SER A 138 68.840 5.191 13.719 1.00 0.00 H new ATOM 1197 N GLY A 139 66.881 2.993 16.381 1.00 0.00 N ATOM 1198 CA GLY A 139 67.209 2.939 17.798 1.00 0.00 C ATOM 1199 C GLY A 139 67.058 1.521 18.335 1.00 0.00 C ATOM 1200 O GLY A 139 66.145 0.792 17.944 1.00 0.00 O ATOM 0 H GLY A 139 66.547 2.113 15.988 1.00 0.00 H new ATOM 0 HA2 GLY A 139 68.231 3.284 17.953 1.00 0.00 H new ATOM 0 HA3 GLY A 139 66.557 3.614 18.353 1.00 0.00 H new ATOM 1204 N SER A 140 67.955 1.139 19.238 1.00 0.00 N ATOM 1205 CA SER A 140 67.911 -0.194 19.827 1.00 0.00 C ATOM 1206 C SER A 140 67.778 -1.256 18.740 1.00 0.00 C ATOM 1207 O SER A 140 67.034 -2.224 18.894 1.00 0.00 O ATOM 1208 CB SER A 140 66.732 -0.296 20.796 1.00 0.00 C ATOM 1209 OG SER A 140 66.907 0.643 21.849 1.00 0.00 O ATOM 0 H SER A 140 68.716 1.729 19.576 1.00 0.00 H new ATOM 0 HA SER A 140 68.841 -0.364 20.370 1.00 0.00 H new ATOM 0 HB2 SER A 140 65.797 -0.101 20.271 1.00 0.00 H new ATOM 0 HB3 SER A 140 66.666 -1.306 21.201 1.00 0.00 H new ATOM 0 HG SER A 140 66.152 0.581 22.471 1.00 0.00 H new ATOM 1215 N LYS A 141 68.501 -1.066 17.641 1.00 0.00 N ATOM 1216 CA LYS A 141 68.452 -2.014 16.533 1.00 0.00 C ATOM 1217 C LYS A 141 69.566 -3.049 16.661 1.00 0.00 C ATOM 1218 O LYS A 141 70.743 -2.699 16.746 1.00 0.00 O ATOM 1219 CB LYS A 141 68.595 -1.270 15.202 1.00 0.00 C ATOM 1220 CG LYS A 141 68.174 -2.188 14.051 1.00 0.00 C ATOM 1221 CD LYS A 141 69.394 -2.957 13.537 1.00 0.00 C ATOM 1222 CE LYS A 141 69.079 -3.559 12.165 1.00 0.00 C ATOM 1223 NZ LYS A 141 68.006 -4.584 12.305 1.00 0.00 N ATOM 0 H LYS A 141 69.123 -0.271 17.494 1.00 0.00 H new ATOM 0 HA LYS A 141 67.491 -2.527 16.562 1.00 0.00 H new ATOM 0 HB2 LYS A 141 67.978 -0.372 15.208 1.00 0.00 H new ATOM 0 HB3 LYS A 141 69.627 -0.947 15.064 1.00 0.00 H new ATOM 0 HG2 LYS A 141 67.408 -2.885 14.390 1.00 0.00 H new ATOM 0 HG3 LYS A 141 67.736 -1.600 13.245 1.00 0.00 H new ATOM 0 HD2 LYS A 141 70.253 -2.290 13.464 1.00 0.00 H new ATOM 0 HD3 LYS A 141 69.662 -3.746 14.239 1.00 0.00 H new ATOM 0 HE2 LYS A 141 68.761 -2.776 11.477 1.00 0.00 H new ATOM 0 HE3 LYS A 141 69.975 -4.011 11.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 67.933 -5.133 11.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 68.237 -5.223 13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 67.099 -4.113 12.496 1.00 0.00 H new ATOM 1237 N ALA A 142 69.186 -4.323 16.669 1.00 0.00 N ATOM 1238 CA ALA A 142 70.161 -5.400 16.781 1.00 0.00 C ATOM 1239 C ALA A 142 69.641 -6.667 16.108 1.00 0.00 C ATOM 1240 O ALA A 142 68.436 -6.921 16.088 1.00 0.00 O ATOM 1241 CB ALA A 142 70.459 -5.685 18.253 1.00 0.00 C ATOM 0 H ALA A 142 68.217 -4.633 16.600 1.00 0.00 H new ATOM 0 HA ALA A 142 71.078 -5.088 16.280 1.00 0.00 H new ATOM 0 HB1 ALA A 142 71.189 -6.491 18.327 1.00 0.00 H new ATOM 0 HB2 ALA A 142 70.861 -4.788 18.723 1.00 0.00 H new ATOM 0 HB3 ALA A 142 69.540 -5.980 18.760 1.00 0.00 H new ATOM 1247 N ALA A 143 70.557 -7.460 15.561 1.00 0.00 N ATOM 1248 CA ALA A 143 70.180 -8.701 14.892 1.00 0.00 C ATOM 1249 C ALA A 143 69.509 -9.659 15.871 1.00 0.00 C ATOM 1250 O ALA A 143 68.533 -10.328 15.531 1.00 0.00 O ATOM 1251 CB ALA A 143 71.418 -9.369 14.291 1.00 0.00 C ATOM 0 H ALA A 143 71.559 -7.268 15.567 1.00 0.00 H new ATOM 0 HA ALA A 143 69.474 -8.460 14.097 1.00 0.00 H new ATOM 0 HB1 ALA A 143 71.127 -10.294 13.794 1.00 0.00 H new ATOM 0 HB2 ALA A 143 71.878 -8.697 13.567 1.00 0.00 H new ATOM 0 HB3 ALA A 143 72.132 -9.592 15.084 1.00 0.00 H new ATOM 1257 N THR A 144 70.040 -9.720 17.088 1.00 0.00 N ATOM 1258 CA THR A 144 69.486 -10.602 18.109 1.00 0.00 C ATOM 1259 C THR A 144 68.230 -9.990 18.721 1.00 0.00 C ATOM 1260 O THR A 144 67.973 -8.796 18.569 1.00 0.00 O ATOM 1261 CB THR A 144 70.523 -10.848 19.208 1.00 0.00 C ATOM 1262 OG1 THR A 144 70.825 -9.620 19.856 1.00 0.00 O ATOM 1263 CG2 THR A 144 71.797 -11.428 18.591 1.00 0.00 C ATOM 0 H THR A 144 70.847 -9.174 17.390 1.00 0.00 H new ATOM 0 HA THR A 144 69.224 -11.550 17.639 1.00 0.00 H new ATOM 0 HB THR A 144 70.121 -11.554 19.935 1.00 0.00 H new ATOM 0 HG1 THR A 144 71.488 -9.776 20.561 1.00 0.00 H new ATOM 0 HG21 THR A 144 72.534 -11.602 19.375 1.00 0.00 H new ATOM 0 HG22 THR A 144 71.565 -12.370 18.095 1.00 0.00 H new ATOM 0 HG23 THR A 144 72.201 -10.725 17.863 1.00 0.00 H new ATOM 1271 N ASP A 145 67.453 -10.816 19.413 1.00 0.00 N ATOM 1272 CA ASP A 145 66.226 -10.345 20.044 1.00 0.00 C ATOM 1273 C ASP A 145 66.432 -10.158 21.543 1.00 0.00 C ATOM 1274 O ASP A 145 67.295 -10.824 22.091 1.00 0.00 O ATOM 1275 CB ASP A 145 65.097 -11.348 19.802 1.00 0.00 C ATOM 1276 CG ASP A 145 64.954 -12.273 21.006 1.00 0.00 C ATOM 1277 OD1 ASP A 145 65.838 -13.089 21.209 1.00 0.00 O ATOM 1278 OD2 ASP A 145 63.963 -12.151 21.707 1.00 0.00 O ATOM 1279 OXT ASP A 145 65.723 -9.351 22.123 1.00 0.00 O ATOM 0 H ASP A 145 67.649 -11.808 19.551 1.00 0.00 H new ATOM 0 HA ASP A 145 65.958 -9.384 19.604 1.00 0.00 H new ATOM 0 HB2 ASP A 145 64.161 -10.819 19.627 1.00 0.00 H new ATOM 0 HB3 ASP A 145 65.305 -11.933 18.906 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 61.850 8.218 -6.408 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.499 0.123 1.177 1.00 0.00 ZN