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= -0.351 K(o=-0.35,f=-1.3) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0984 USER MOD Single : A 89 SER OG : rot -150:sc= -0.0602 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.763 USER MOD Single : A 121 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.849) USER MOD Single : A 122 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 123 GLN : amide:sc= -2.14 K(o=-2.1,f=-4.6!) USER MOD Single : A 124 CYS SG : rot -108:sc= 1.34 USER MOD Single : A 126 SER OG : rot 155:sc= 0.0601 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -5.21 K(o=-5.2,f=-2.6!) 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 -110:sc= -0.0103 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 LYS NZ :NH3+ -161:sc= -0.022 (180deg=-0.493) USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 54 56.833 -0.492 15.773 1.00 0.00 N ATOM 2 CA GLY A 54 57.479 -1.790 15.930 1.00 0.00 C ATOM 3 C GLY A 54 58.971 -1.632 16.199 1.00 0.00 C ATOM 4 O GLY A 54 59.544 -2.343 17.026 1.00 0.00 O ATOM 0 HA2 GLY A 54 57.014 -2.334 16.752 1.00 0.00 H new ATOM 0 HA3 GLY A 54 57.330 -2.385 15.029 1.00 0.00 H new ATOM 8 N GLY A 55 59.595 -0.696 15.493 1.00 0.00 N ATOM 9 CA GLY A 55 61.023 -0.451 15.654 1.00 0.00 C ATOM 10 C GLY A 55 61.401 0.926 15.123 1.00 0.00 C ATOM 11 O GLY A 55 61.234 1.936 15.809 1.00 0.00 O ATOM 0 H GLY A 55 59.137 -0.097 14.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 61.292 -0.526 16.708 1.00 0.00 H new ATOM 0 HA3 GLY A 55 61.590 -1.217 15.125 1.00 0.00 H new ATOM 15 N ALA A 56 61.910 0.962 13.895 1.00 0.00 N ATOM 16 CA ALA A 56 62.307 2.224 13.283 1.00 0.00 C ATOM 17 C ALA A 56 61.106 3.164 13.178 1.00 0.00 C ATOM 18 O ALA A 56 60.001 2.741 12.832 1.00 0.00 O ATOM 19 CB ALA A 56 62.894 1.966 11.887 1.00 0.00 C ATOM 0 H ALA A 56 62.056 0.140 13.309 1.00 0.00 H new ATOM 0 HA ALA A 56 63.066 2.694 13.909 1.00 0.00 H new ATOM 0 HB1 ALA A 56 63.189 2.913 11.435 1.00 0.00 H new ATOM 0 HB2 ALA A 56 63.766 1.318 11.973 1.00 0.00 H new ATOM 0 HB3 ALA A 56 62.144 1.483 11.261 1.00 0.00 H new ATOM 25 N GLU A 57 61.331 4.439 13.478 1.00 0.00 N ATOM 26 CA GLU A 57 60.263 5.436 13.413 1.00 0.00 C ATOM 27 C GLU A 57 60.227 6.104 12.043 1.00 0.00 C ATOM 28 O GLU A 57 59.699 7.207 11.878 1.00 0.00 O ATOM 29 CB GLU A 57 60.466 6.496 14.487 1.00 0.00 C ATOM 30 CG GLU A 57 60.152 5.901 15.860 1.00 0.00 C ATOM 31 CD GLU A 57 60.550 6.883 16.956 1.00 0.00 C ATOM 32 OE1 GLU A 57 61.278 7.813 16.653 1.00 0.00 O ATOM 33 OE2 GLU A 57 60.121 6.691 18.082 1.00 0.00 O ATOM 0 H GLU A 57 62.237 4.807 13.767 1.00 0.00 H new ATOM 0 HA GLU A 57 59.315 4.925 13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 57 61.493 6.860 14.463 1.00 0.00 H new ATOM 0 HB3 GLU A 57 59.820 7.352 14.294 1.00 0.00 H new ATOM 0 HG2 GLU A 57 59.088 5.674 15.933 1.00 0.00 H new ATOM 0 HG3 GLU A 57 60.689 4.961 15.990 1.00 0.00 H new ATOM 40 N ALA A 58 60.786 5.420 11.062 1.00 0.00 N ATOM 41 CA ALA A 58 60.826 5.929 9.701 1.00 0.00 C ATOM 42 C ALA A 58 59.432 6.145 9.138 1.00 0.00 C ATOM 43 O ALA A 58 59.266 6.786 8.106 1.00 0.00 O ATOM 44 CB ALA A 58 61.641 4.997 8.807 1.00 0.00 C ATOM 0 H ALA A 58 61.221 4.505 11.182 1.00 0.00 H new ATOM 0 HA ALA A 58 61.316 6.902 9.725 1.00 0.00 H new ATOM 0 HB1 ALA A 58 61.661 5.392 7.791 1.00 0.00 H new ATOM 0 HB2 ALA A 58 62.659 4.925 9.189 1.00 0.00 H new ATOM 0 HB3 ALA A 58 61.185 4.007 8.802 1.00 0.00 H new ATOM 50 N LEU A 59 58.439 5.620 9.826 1.00 0.00 N ATOM 51 CA LEU A 59 57.055 5.761 9.406 1.00 0.00 C ATOM 52 C LEU A 59 56.716 7.214 9.090 1.00 0.00 C ATOM 53 O LEU A 59 55.779 7.490 8.343 1.00 0.00 O ATOM 54 CB LEU A 59 56.159 5.288 10.534 1.00 0.00 C ATOM 55 CG LEU A 59 56.209 3.769 10.603 1.00 0.00 C ATOM 56 CD1 LEU A 59 55.723 3.316 11.972 1.00 0.00 C ATOM 57 CD2 LEU A 59 55.288 3.171 9.533 1.00 0.00 C ATOM 0 H LEU A 59 58.564 5.087 10.686 1.00 0.00 H new ATOM 0 HA LEU A 59 56.903 5.167 8.505 1.00 0.00 H new ATOM 0 HB2 LEU A 59 56.486 5.719 11.480 1.00 0.00 H new ATOM 0 HB3 LEU A 59 55.135 5.624 10.368 1.00 0.00 H new ATOM 0 HG LEU A 59 57.233 3.435 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 59 55.756 2.228 12.028 1.00 0.00 H new ATOM 0 HD12 LEU A 59 56.365 3.739 12.744 1.00 0.00 H new ATOM 0 HD13 LEU A 59 54.699 3.656 12.125 1.00 0.00 H new ATOM 0 HD21 LEU A 59 55.327 2.083 9.586 1.00 0.00 H new ATOM 0 HD22 LEU A 59 54.265 3.506 9.705 1.00 0.00 H new ATOM 0 HD23 LEU A 59 55.616 3.498 8.546 1.00 0.00 H new ATOM 69 N GLU A 60 57.472 8.135 9.670 1.00 0.00 N ATOM 70 CA GLU A 60 57.227 9.549 9.443 1.00 0.00 C ATOM 71 C GLU A 60 57.344 9.885 7.967 1.00 0.00 C ATOM 72 O GLU A 60 56.530 10.629 7.419 1.00 0.00 O ATOM 73 CB GLU A 60 58.245 10.381 10.225 1.00 0.00 C ATOM 74 CG GLU A 60 57.959 10.275 11.723 1.00 0.00 C ATOM 75 CD GLU A 60 59.085 10.928 12.517 1.00 0.00 C ATOM 76 OE1 GLU A 60 60.123 11.189 11.930 1.00 0.00 O ATOM 77 OE2 GLU A 60 58.896 11.156 13.700 1.00 0.00 O ATOM 0 H GLU A 60 58.252 7.930 10.295 1.00 0.00 H new ATOM 0 HA GLU A 60 56.217 9.780 9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 60 59.255 10.030 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 60 58.196 11.423 9.909 1.00 0.00 H new ATOM 0 HG2 GLU A 60 57.011 10.759 11.956 1.00 0.00 H new ATOM 0 HG3 GLU A 60 57.861 9.228 12.010 1.00 0.00 H new ATOM 84 N LEU A 61 58.363 9.337 7.335 1.00 0.00 N ATOM 85 CA LEU A 61 58.588 9.589 5.917 1.00 0.00 C ATOM 86 C LEU A 61 58.176 8.396 5.052 1.00 0.00 C ATOM 87 O LEU A 61 57.593 8.574 3.986 1.00 0.00 O ATOM 88 CB LEU A 61 60.061 9.896 5.694 1.00 0.00 C ATOM 89 CG LEU A 61 60.490 11.052 6.595 1.00 0.00 C ATOM 90 CD1 LEU A 61 61.965 11.352 6.372 1.00 0.00 C ATOM 91 CD2 LEU A 61 59.657 12.301 6.287 1.00 0.00 C ATOM 0 H LEU A 61 59.046 8.718 7.773 1.00 0.00 H new ATOM 0 HA LEU A 61 57.972 10.438 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.663 9.013 5.909 1.00 0.00 H new ATOM 0 HB3 LEU A 61 60.234 10.153 4.649 1.00 0.00 H new ATOM 0 HG LEU A 61 60.329 10.769 7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 61 62.270 12.177 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 62.556 10.468 6.611 1.00 0.00 H new ATOM 0 HD13 LEU A 61 62.127 11.626 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 61 59.973 13.118 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 61 59.803 12.588 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.602 12.087 6.460 1.00 0.00 H new ATOM 103 N LEU A 62 58.486 7.189 5.525 1.00 0.00 N ATOM 104 CA LEU A 62 58.164 5.964 4.815 1.00 0.00 C ATOM 105 C LEU A 62 58.326 4.777 5.765 1.00 0.00 C ATOM 106 O LEU A 62 57.369 4.389 6.427 1.00 0.00 O ATOM 107 CB LEU A 62 59.073 5.813 3.589 1.00 0.00 C ATOM 108 CG LEU A 62 58.286 6.171 2.332 1.00 0.00 C ATOM 109 CD1 LEU A 62 59.207 6.868 1.326 1.00 0.00 C ATOM 110 CD2 LEU A 62 57.721 4.894 1.705 1.00 0.00 C ATOM 0 H LEU A 62 58.967 7.039 6.412 1.00 0.00 H new ATOM 0 HA LEU A 62 57.132 5.999 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 62 59.943 6.462 3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 62 59.444 4.790 3.521 1.00 0.00 H new ATOM 0 HG LEU A 62 57.469 6.842 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 62 58.641 7.122 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 62 59.609 7.778 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 60.027 6.201 1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 62 57.158 5.148 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 62 58.540 4.224 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 62 57.062 4.399 2.418 1.00 0.00 H new ATOM 122 N GLU A 63 59.546 4.241 5.830 1.00 0.00 N ATOM 123 CA GLU A 63 59.888 3.120 6.697 1.00 0.00 C ATOM 124 C GLU A 63 61.234 2.514 6.302 1.00 0.00 C ATOM 125 O GLU A 63 62.251 2.777 6.941 1.00 0.00 O ATOM 126 CB GLU A 63 58.817 2.050 6.636 1.00 0.00 C ATOM 127 CG GLU A 63 58.032 2.044 7.945 1.00 0.00 C ATOM 128 CD GLU A 63 57.611 0.618 8.290 1.00 0.00 C ATOM 129 OE1 GLU A 63 58.480 -0.168 8.634 1.00 0.00 O ATOM 130 OE2 GLU A 63 56.428 0.330 8.205 1.00 0.00 O ATOM 0 H GLU A 63 60.331 4.580 5.274 1.00 0.00 H new ATOM 0 HA GLU A 63 59.957 3.501 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 63 58.146 2.238 5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 63 59.272 1.074 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 58.643 2.457 8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 63 57.152 2.681 7.855 1.00 0.00 H new ATOM 137 N HIS A 64 61.234 1.694 5.253 1.00 0.00 N ATOM 138 CA HIS A 64 62.455 1.054 4.789 1.00 0.00 C ATOM 139 C HIS A 64 62.910 1.665 3.477 1.00 0.00 C ATOM 140 O HIS A 64 62.151 2.358 2.800 1.00 0.00 O ATOM 141 CB HIS A 64 62.219 -0.441 4.597 1.00 0.00 C ATOM 142 CG HIS A 64 61.044 -0.654 3.701 1.00 0.00 C ATOM 143 ND1 HIS A 64 59.761 -0.709 4.204 1.00 0.00 N ATOM 144 CD2 HIS A 64 60.929 -0.849 2.346 1.00 0.00 C ATOM 145 CE1 HIS A 64 58.933 -0.931 3.178 1.00 0.00 C ATOM 146 NE2 HIS A 64 59.590 -1.024 2.018 1.00 0.00 N ATOM 0 H HIS A 64 60.402 1.460 4.712 1.00 0.00 H new ATOM 0 HA HIS A 64 63.231 1.207 5.539 1.00 0.00 H new ATOM 0 HB2 HIS A 64 63.106 -0.907 4.167 1.00 0.00 H new ATOM 0 HB3 HIS A 64 62.044 -0.918 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 64 61.751 -0.864 1.645 1.00 0.00 H new ATOM 0 HE1 HIS A 64 57.861 -1.024 3.275 1.00 0.00 H new ATOM 0 HE2 HIS A 64 59.194 -1.188 1.092 1.00 0.00 H new ATOM 154 N CYS A 65 64.154 1.395 3.130 1.00 0.00 N ATOM 155 CA CYS A 65 64.731 1.905 1.897 1.00 0.00 C ATOM 156 C CYS A 65 64.223 1.124 0.696 1.00 0.00 C ATOM 157 O CYS A 65 64.159 -0.094 0.727 1.00 0.00 O ATOM 158 CB CYS A 65 66.241 1.804 1.977 1.00 0.00 C ATOM 159 SG CYS A 65 66.944 2.099 0.339 1.00 0.00 S ATOM 0 H CYS A 65 64.789 0.823 3.687 1.00 0.00 H new ATOM 0 HA CYS A 65 64.434 2.947 1.773 1.00 0.00 H new ATOM 0 HB2 CYS A 65 66.629 2.533 2.689 1.00 0.00 H new ATOM 0 HB3 CYS A 65 66.533 0.818 2.339 1.00 0.00 H new ATOM 164 N GLY A 66 63.851 1.837 -0.353 1.00 0.00 N ATOM 165 CA GLY A 66 63.334 1.201 -1.562 1.00 0.00 C ATOM 166 C GLY A 66 64.379 0.341 -2.280 1.00 0.00 C ATOM 167 O GLY A 66 64.049 -0.694 -2.862 1.00 0.00 O ATOM 0 H GLY A 66 63.895 2.855 -0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 66 62.477 0.580 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 66 62.973 1.970 -2.245 1.00 0.00 H new ATOM 171 N VAL A 67 65.620 0.810 -2.290 1.00 0.00 N ATOM 172 CA VAL A 67 66.701 0.125 -3.000 1.00 0.00 C ATOM 173 C VAL A 67 66.986 -1.283 -2.469 1.00 0.00 C ATOM 174 O VAL A 67 67.213 -2.209 -3.249 1.00 0.00 O ATOM 175 CB VAL A 67 67.964 0.959 -2.881 1.00 0.00 C ATOM 176 CG1 VAL A 67 69.150 0.184 -3.450 1.00 0.00 C ATOM 177 CG2 VAL A 67 67.785 2.272 -3.645 1.00 0.00 C ATOM 0 H VAL A 67 65.907 1.665 -1.814 1.00 0.00 H new ATOM 0 HA VAL A 67 66.383 0.013 -4.037 1.00 0.00 H new ATOM 0 HB VAL A 67 68.154 1.178 -1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 67 70.054 0.787 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 67 69.278 -0.745 -2.894 1.00 0.00 H new ATOM 0 HG13 VAL A 67 68.966 -0.044 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 67 68.692 2.870 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 67 67.590 2.058 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 67 66.945 2.825 -3.226 1.00 0.00 H new ATOM 187 N CYS A 68 67.000 -1.435 -1.155 1.00 0.00 N ATOM 188 CA CYS A 68 67.288 -2.727 -0.542 1.00 0.00 C ATOM 189 C CYS A 68 66.039 -3.317 0.097 1.00 0.00 C ATOM 190 O CYS A 68 65.980 -4.512 0.391 1.00 0.00 O ATOM 191 CB CYS A 68 68.389 -2.563 0.509 1.00 0.00 C ATOM 192 SG CYS A 68 67.845 -1.399 1.789 1.00 0.00 S ATOM 0 H CYS A 68 66.816 -0.683 -0.491 1.00 0.00 H new ATOM 0 HA CYS A 68 67.626 -3.412 -1.319 1.00 0.00 H new ATOM 0 HB2 CYS A 68 68.623 -3.528 0.958 1.00 0.00 H new ATOM 0 HB3 CYS A 68 69.303 -2.200 0.039 1.00 0.00 H new ATOM 197 N ARG A 69 65.038 -2.473 0.291 1.00 0.00 N ATOM 198 CA ARG A 69 63.781 -2.905 0.876 1.00 0.00 C ATOM 199 C ARG A 69 63.999 -3.397 2.296 1.00 0.00 C ATOM 200 O ARG A 69 63.268 -4.252 2.796 1.00 0.00 O ATOM 201 CB ARG A 69 63.162 -4.004 0.015 1.00 0.00 C ATOM 202 CG ARG A 69 63.324 -3.644 -1.474 1.00 0.00 C ATOM 203 CD ARG A 69 64.362 -4.557 -2.133 1.00 0.00 C ATOM 204 NE ARG A 69 63.915 -4.938 -3.468 1.00 0.00 N ATOM 205 CZ ARG A 69 62.985 -5.877 -3.651 1.00 0.00 C ATOM 206 NH1 ARG A 69 62.428 -6.478 -2.629 1.00 0.00 N ATOM 207 NH2 ARG A 69 62.626 -6.203 -4.862 1.00 0.00 N ATOM 0 H ARG A 69 65.073 -1.482 0.051 1.00 0.00 H new ATOM 0 HA ARG A 69 63.096 -2.058 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 69 63.644 -4.959 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 69 62.106 -4.120 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 69 62.366 -3.743 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 69 63.631 -2.603 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 69 65.322 -4.045 -2.194 1.00 0.00 H new ATOM 0 HD3 ARG A 69 64.514 -5.448 -1.523 1.00 0.00 H new ATOM 0 HE ARG A 69 64.323 -4.476 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 69 62.704 -6.230 -1.679 1.00 0.00 H new ATOM 0 HH12 ARG A 69 61.718 -7.194 -2.783 1.00 0.00 H new ATOM 0 HH21 ARG A 69 63.056 -5.741 -5.663 1.00 0.00 H new ATOM 0 HH22 ARG A 69 61.916 -6.920 -5.008 1.00 0.00 H new ATOM 221 N GLU A 70 65.011 -2.833 2.943 1.00 0.00 N ATOM 222 CA GLU A 70 65.330 -3.193 4.311 1.00 0.00 C ATOM 223 C GLU A 70 65.105 -1.999 5.213 1.00 0.00 C ATOM 224 O GLU A 70 65.336 -0.851 4.827 1.00 0.00 O ATOM 225 CB GLU A 70 66.781 -3.659 4.404 1.00 0.00 C ATOM 226 CG GLU A 70 67.037 -4.696 3.311 1.00 0.00 C ATOM 227 CD GLU A 70 68.313 -5.478 3.609 1.00 0.00 C ATOM 228 OE1 GLU A 70 69.214 -4.903 4.196 1.00 0.00 O ATOM 229 OE2 GLU A 70 68.369 -6.641 3.247 1.00 0.00 O ATOM 0 H GLU A 70 65.623 -2.124 2.539 1.00 0.00 H new ATOM 0 HA GLU A 70 64.682 -4.009 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 70 67.457 -2.812 4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 70 66.977 -4.090 5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 70 66.191 -5.380 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 70 67.124 -4.201 2.344 1.00 0.00 H new ATOM 236 N ARG A 71 64.631 -2.280 6.409 1.00 0.00 N ATOM 237 CA ARG A 71 64.341 -1.238 7.368 1.00 0.00 C ATOM 238 C ARG A 71 65.556 -0.357 7.589 1.00 0.00 C ATOM 239 O ARG A 71 66.695 -0.792 7.422 1.00 0.00 O ATOM 240 CB ARG A 71 63.890 -1.880 8.669 1.00 0.00 C ATOM 241 CG ARG A 71 62.984 -0.918 9.432 1.00 0.00 C ATOM 242 CD ARG A 71 62.252 -1.703 10.511 1.00 0.00 C ATOM 243 NE ARG A 71 61.226 -0.882 11.143 1.00 0.00 N ATOM 244 CZ ARG A 71 60.264 -1.424 11.894 1.00 0.00 C ATOM 245 NH1 ARG A 71 60.215 -2.719 12.090 1.00 0.00 N ATOM 246 NH2 ARG A 71 59.360 -0.656 12.436 1.00 0.00 N ATOM 0 H ARG A 71 64.438 -3.225 6.740 1.00 0.00 H new ATOM 0 HA ARG A 71 63.544 -0.601 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 71 63.358 -2.808 8.462 1.00 0.00 H new ATOM 0 HB3 ARG A 71 64.757 -2.138 9.278 1.00 0.00 H new ATOM 0 HG2 ARG A 71 63.572 -0.117 9.879 1.00 0.00 H new ATOM 0 HG3 ARG A 71 62.271 -0.450 8.754 1.00 0.00 H new ATOM 0 HD2 ARG A 71 61.795 -2.591 10.074 1.00 0.00 H new ATOM 0 HD3 ARG A 71 62.963 -2.047 11.262 1.00 0.00 H new ATOM 0 HE ARG A 71 61.243 0.129 11.008 1.00 0.00 H new ATOM 0 HH11 ARG A 71 60.917 -3.326 11.667 1.00 0.00 H new ATOM 0 HH12 ARG A 71 59.475 -3.120 12.666 1.00 0.00 H new ATOM 0 HH21 ARG A 71 59.390 0.352 12.285 1.00 0.00 H new ATOM 0 HH22 ARG A 71 58.622 -1.064 13.011 1.00 0.00 H new ATOM 260 N LEU A 72 65.301 0.895 7.933 1.00 0.00 N ATOM 261 CA LEU A 72 66.375 1.849 8.137 1.00 0.00 C ATOM 262 C LEU A 72 67.035 1.654 9.500 1.00 0.00 C ATOM 263 O LEU A 72 66.489 2.039 10.534 1.00 0.00 O ATOM 264 CB LEU A 72 65.808 3.265 8.012 1.00 0.00 C ATOM 265 CG LEU A 72 65.264 3.464 6.592 1.00 0.00 C ATOM 266 CD1 LEU A 72 64.493 4.786 6.515 1.00 0.00 C ATOM 267 CD2 LEU A 72 66.430 3.490 5.591 1.00 0.00 C ATOM 0 H LEU A 72 64.364 1.272 8.076 1.00 0.00 H new ATOM 0 HA LEU A 72 67.142 1.691 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 72 65.015 3.418 8.744 1.00 0.00 H new ATOM 0 HB3 LEU A 72 66.584 4.001 8.224 1.00 0.00 H new ATOM 0 HG LEU A 72 64.594 2.640 6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 72 64.108 4.924 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.662 4.764 7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 72 65.160 5.611 6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 72 66.041 3.631 4.583 1.00 0.00 H new ATOM 0 HD22 LEU A 72 67.104 4.310 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 72 66.974 2.547 5.641 1.00 0.00 H new ATOM 279 N ARG A 73 68.222 1.054 9.479 1.00 0.00 N ATOM 280 CA ARG A 73 68.982 0.803 10.702 1.00 0.00 C ATOM 281 C ARG A 73 69.654 2.084 11.181 1.00 0.00 C ATOM 282 O ARG A 73 69.888 2.995 10.391 1.00 0.00 O ATOM 283 CB ARG A 73 70.053 -0.259 10.453 1.00 0.00 C ATOM 284 CG ARG A 73 69.375 -1.576 10.103 1.00 0.00 C ATOM 285 CD ARG A 73 70.426 -2.652 9.857 1.00 0.00 C ATOM 286 NE ARG A 73 69.772 -3.906 9.488 1.00 0.00 N ATOM 287 CZ ARG A 73 69.251 -4.726 10.407 1.00 0.00 C ATOM 288 NH1 ARG A 73 69.305 -4.432 11.680 1.00 0.00 N ATOM 289 NH2 ARG A 73 68.673 -5.834 10.029 1.00 0.00 N ATOM 0 H ARG A 73 68.680 0.732 8.627 1.00 0.00 H new ATOM 0 HA ARG A 73 68.289 0.449 11.466 1.00 0.00 H new ATOM 0 HB2 ARG A 73 70.711 0.053 9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 73 70.676 -0.380 11.339 1.00 0.00 H new ATOM 0 HG2 ARG A 73 68.713 -1.881 10.914 1.00 0.00 H new ATOM 0 HG3 ARG A 73 68.755 -1.451 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 73 71.104 -2.337 9.063 1.00 0.00 H new ATOM 0 HD3 ARG A 73 71.030 -2.796 10.753 1.00 0.00 H new ATOM 0 HE ARG A 73 69.711 -4.163 8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 73 69.749 -3.566 11.985 1.00 0.00 H new ATOM 0 HH12 ARG A 73 68.903 -5.069 12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 73 68.621 -6.070 9.038 1.00 0.00 H new ATOM 0 HH22 ARG A 73 68.274 -6.464 10.725 1.00 0.00 H new ATOM 303 N PRO A 74 69.982 2.177 12.443 1.00 0.00 N ATOM 304 CA PRO A 74 70.651 3.390 12.993 1.00 0.00 C ATOM 305 C PRO A 74 71.941 3.696 12.236 1.00 0.00 C ATOM 306 O PRO A 74 72.263 4.853 11.968 1.00 0.00 O ATOM 307 CB PRO A 74 70.940 3.017 14.450 1.00 0.00 C ATOM 308 CG PRO A 74 69.961 1.945 14.774 1.00 0.00 C ATOM 309 CD PRO A 74 69.766 1.158 13.486 1.00 0.00 C ATOM 0 HA PRO A 74 70.039 4.287 12.902 1.00 0.00 H new ATOM 0 HB2 PRO A 74 71.965 2.666 14.572 1.00 0.00 H new ATOM 0 HB3 PRO A 74 70.817 3.876 15.109 1.00 0.00 H new ATOM 0 HG2 PRO A 74 70.334 1.303 15.572 1.00 0.00 H new ATOM 0 HG3 PRO A 74 69.018 2.368 15.120 1.00 0.00 H new ATOM 0 HD2 PRO A 74 70.478 0.337 13.402 1.00 0.00 H new ATOM 0 HD3 PRO A 74 68.769 0.723 13.425 1.00 0.00 H new ATOM 317 N GLU A 75 72.662 2.635 11.883 1.00 0.00 N ATOM 318 CA GLU A 75 73.916 2.769 11.137 1.00 0.00 C ATOM 319 C GLU A 75 73.679 2.817 9.627 1.00 0.00 C ATOM 320 O GLU A 75 74.623 2.938 8.849 1.00 0.00 O ATOM 321 CB GLU A 75 74.856 1.606 11.450 1.00 0.00 C ATOM 322 CG GLU A 75 74.086 0.292 11.368 1.00 0.00 C ATOM 323 CD GLU A 75 75.051 -0.871 11.162 1.00 0.00 C ATOM 324 OE1 GLU A 75 76.157 -0.794 11.671 1.00 0.00 O ATOM 325 OE2 GLU A 75 74.669 -1.822 10.500 1.00 0.00 O ATOM 0 H GLU A 75 72.402 1.673 12.100 1.00 0.00 H new ATOM 0 HA GLU A 75 74.369 3.710 11.450 1.00 0.00 H new ATOM 0 HB2 GLU A 75 75.687 1.597 10.745 1.00 0.00 H new ATOM 0 HB3 GLU A 75 75.283 1.728 12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 75 73.512 0.141 12.282 1.00 0.00 H new ATOM 0 HG3 GLU A 75 73.371 0.331 10.546 1.00 0.00 H new ATOM 332 N ARG A 76 72.422 2.695 9.218 1.00 0.00 N ATOM 333 CA ARG A 76 72.077 2.695 7.801 1.00 0.00 C ATOM 334 C ARG A 76 72.326 4.059 7.176 1.00 0.00 C ATOM 335 O ARG A 76 72.501 4.178 5.963 1.00 0.00 O ATOM 336 CB ARG A 76 70.588 2.366 7.665 1.00 0.00 C ATOM 337 CG ARG A 76 70.264 1.706 6.319 1.00 0.00 C ATOM 338 CD ARG A 76 71.025 0.389 6.195 1.00 0.00 C ATOM 339 NE ARG A 76 70.428 -0.479 5.187 1.00 0.00 N ATOM 340 CZ ARG A 76 71.026 -1.608 4.795 1.00 0.00 C ATOM 341 NH1 ARG A 76 72.165 -1.984 5.325 1.00 0.00 N ATOM 342 NH2 ARG A 76 70.473 -2.341 3.868 1.00 0.00 N ATOM 0 H ARG A 76 71.625 2.595 9.847 1.00 0.00 H new ATOM 0 HA ARG A 76 72.696 1.957 7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 76 70.288 1.702 8.476 1.00 0.00 H new ATOM 0 HB3 ARG A 76 70.004 3.280 7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 76 69.192 1.526 6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 76 70.537 2.373 5.501 1.00 0.00 H new ATOM 0 HD2 ARG A 76 72.064 0.591 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 76 71.032 -0.121 7.158 1.00 0.00 H new ATOM 0 HE ARG A 76 69.534 -0.219 4.772 1.00 0.00 H new ATOM 0 HH11 ARG A 76 72.605 -1.412 6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 76 72.610 -2.848 5.016 1.00 0.00 H new ATOM 0 HH21 ARG A 76 69.590 -2.051 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 76 70.924 -3.204 3.564 1.00 0.00 H new ATOM 356 N GLU A 77 72.308 5.087 8.007 1.00 0.00 N ATOM 357 CA GLU A 77 72.493 6.439 7.532 1.00 0.00 C ATOM 358 C GLU A 77 71.446 6.778 6.490 1.00 0.00 C ATOM 359 O GLU A 77 71.760 6.987 5.317 1.00 0.00 O ATOM 360 CB GLU A 77 73.890 6.601 6.941 1.00 0.00 C ATOM 361 CG GLU A 77 74.196 8.086 6.736 1.00 0.00 C ATOM 362 CD GLU A 77 75.624 8.260 6.227 1.00 0.00 C ATOM 363 OE1 GLU A 77 76.318 7.263 6.117 1.00 0.00 O ATOM 364 OE2 GLU A 77 76.003 9.388 5.955 1.00 0.00 O ATOM 0 H GLU A 77 72.167 5.007 9.014 1.00 0.00 H new ATOM 0 HA GLU A 77 72.384 7.123 8.374 1.00 0.00 H new ATOM 0 HB2 GLU A 77 74.630 6.156 7.606 1.00 0.00 H new ATOM 0 HB3 GLU A 77 73.957 6.072 5.990 1.00 0.00 H new ATOM 0 HG2 GLU A 77 73.492 8.516 6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 77 74.068 8.625 7.675 1.00 0.00 H new ATOM 371 N PRO A 78 70.210 6.828 6.894 1.00 0.00 N ATOM 372 CA PRO A 78 69.084 7.145 5.975 1.00 0.00 C ATOM 373 C PRO A 78 69.216 8.548 5.407 1.00 0.00 C ATOM 374 O PRO A 78 69.712 9.456 6.076 1.00 0.00 O ATOM 375 CB PRO A 78 67.836 7.016 6.856 1.00 0.00 C ATOM 376 CG PRO A 78 68.279 6.253 8.059 1.00 0.00 C ATOM 377 CD PRO A 78 69.737 6.605 8.269 1.00 0.00 C ATOM 0 HA PRO A 78 69.053 6.483 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 78 67.447 7.996 7.133 1.00 0.00 H new ATOM 0 HB3 PRO A 78 67.037 6.493 6.331 1.00 0.00 H new ATOM 0 HG2 PRO A 78 67.684 6.522 8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 78 68.155 5.181 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 78 69.855 7.494 8.888 1.00 0.00 H new ATOM 0 HD3 PRO A 78 70.283 5.799 8.761 1.00 0.00 H new ATOM 385 N ARG A 79 68.776 8.720 4.174 1.00 0.00 N ATOM 386 CA ARG A 79 68.856 10.019 3.525 1.00 0.00 C ATOM 387 C ARG A 79 67.594 10.283 2.714 1.00 0.00 C ATOM 388 O ARG A 79 66.967 9.353 2.211 1.00 0.00 O ATOM 389 CB ARG A 79 70.080 10.060 2.620 1.00 0.00 C ATOM 390 CG ARG A 79 71.059 11.119 3.134 1.00 0.00 C ATOM 391 CD ARG A 79 72.474 10.772 2.668 1.00 0.00 C ATOM 392 NE ARG A 79 73.432 11.761 3.155 1.00 0.00 N ATOM 393 CZ ARG A 79 74.747 11.612 2.970 1.00 0.00 C ATOM 394 NH1 ARG A 79 75.223 10.566 2.343 1.00 0.00 N ATOM 395 NH2 ARG A 79 75.568 12.521 3.418 1.00 0.00 N ATOM 0 H ARG A 79 68.362 7.983 3.604 1.00 0.00 H new ATOM 0 HA ARG A 79 68.945 10.794 4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 79 70.563 9.083 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 79 69.782 10.291 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 79 70.774 12.104 2.764 1.00 0.00 H new ATOM 0 HG3 ARG A 79 71.024 11.165 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 79 72.749 9.782 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 79 72.505 10.733 1.579 1.00 0.00 H new ATOM 0 HE ARG A 79 73.089 12.585 3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 79 74.588 9.851 1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 79 76.229 10.466 2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 79 75.205 13.340 3.906 1.00 0.00 H new ATOM 0 HH22 ARG A 79 76.573 12.413 3.280 1.00 0.00 H new ATOM 409 N LEU A 80 67.215 11.552 2.609 1.00 0.00 N ATOM 410 CA LEU A 80 66.007 11.913 1.874 1.00 0.00 C ATOM 411 C LEU A 80 66.342 12.496 0.498 1.00 0.00 C ATOM 412 O LEU A 80 67.128 13.437 0.379 1.00 0.00 O ATOM 413 CB LEU A 80 65.203 12.932 2.680 1.00 0.00 C ATOM 414 CG LEU A 80 63.876 13.211 1.985 1.00 0.00 C ATOM 415 CD1 LEU A 80 62.971 11.995 2.133 1.00 0.00 C ATOM 416 CD2 LEU A 80 63.217 14.435 2.625 1.00 0.00 C ATOM 0 H LEU A 80 67.719 12.339 3.017 1.00 0.00 H new ATOM 0 HA LEU A 80 65.419 11.008 1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 65.024 12.553 3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 80 65.771 13.857 2.784 1.00 0.00 H new ATOM 0 HG LEU A 80 64.044 13.409 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 80 62.019 12.187 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 80 63.449 11.128 1.676 1.00 0.00 H new ATOM 0 HD13 LEU A 80 62.796 11.798 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 62.267 14.637 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 80 63.041 14.242 3.683 1.00 0.00 H new ATOM 0 HD23 LEU A 80 63.873 15.299 2.518 1.00 0.00 H new ATOM 428 N LEU A 81 65.724 11.927 -0.533 1.00 0.00 N ATOM 429 CA LEU A 81 65.929 12.374 -1.911 1.00 0.00 C ATOM 430 C LEU A 81 64.930 13.470 -2.293 1.00 0.00 C ATOM 431 O LEU A 81 63.921 13.668 -1.618 1.00 0.00 O ATOM 432 CB LEU A 81 65.754 11.185 -2.854 1.00 0.00 C ATOM 433 CG LEU A 81 67.122 10.689 -3.329 1.00 0.00 C ATOM 434 CD1 LEU A 81 67.972 10.280 -2.124 1.00 0.00 C ATOM 435 CD2 LEU A 81 66.917 9.480 -4.250 1.00 0.00 C ATOM 0 H LEU A 81 65.071 11.149 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 81 66.936 12.783 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 81 65.223 10.381 -2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 81 65.146 11.476 -3.710 1.00 0.00 H new ATOM 0 HG LEU A 81 67.635 11.484 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 81 68.945 9.928 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 68.109 11.139 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 81 67.469 9.482 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 81 67.885 9.117 -4.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 66.407 8.688 -3.702 1.00 0.00 H new ATOM 0 HD23 LEU A 81 66.313 9.775 -5.108 1.00 0.00 H new ATOM 447 N PRO A 82 65.192 14.168 -3.368 1.00 0.00 N ATOM 448 CA PRO A 82 64.301 15.257 -3.869 1.00 0.00 C ATOM 449 C PRO A 82 62.998 14.721 -4.464 1.00 0.00 C ATOM 450 O PRO A 82 62.098 15.492 -4.797 1.00 0.00 O ATOM 451 CB PRO A 82 65.148 15.959 -4.934 1.00 0.00 C ATOM 452 CG PRO A 82 66.116 14.930 -5.407 1.00 0.00 C ATOM 453 CD PRO A 82 66.373 13.994 -4.231 1.00 0.00 C ATOM 0 HA PRO A 82 63.982 15.922 -3.067 1.00 0.00 H new ATOM 0 HB2 PRO A 82 64.528 16.322 -5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 82 65.665 16.824 -4.518 1.00 0.00 H new ATOM 0 HG2 PRO A 82 65.712 14.381 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 82 67.043 15.396 -5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 82 66.477 12.960 -4.560 1.00 0.00 H new ATOM 0 HD3 PRO A 82 67.292 14.256 -3.707 1.00 0.00 H new ATOM 461 N CYS A 83 62.896 13.399 -4.583 1.00 0.00 N ATOM 462 CA CYS A 83 61.695 12.778 -5.123 1.00 0.00 C ATOM 463 C CYS A 83 60.750 12.384 -3.998 1.00 0.00 C ATOM 464 O CYS A 83 59.668 11.853 -4.249 1.00 0.00 O ATOM 465 CB CYS A 83 62.063 11.544 -5.946 1.00 0.00 C ATOM 466 SG CYS A 83 63.054 10.417 -4.937 1.00 0.00 S ATOM 0 H CYS A 83 63.628 12.742 -4.313 1.00 0.00 H new ATOM 0 HA CYS A 83 61.194 13.500 -5.768 1.00 0.00 H new ATOM 0 HB2 CYS A 83 61.159 11.041 -6.290 1.00 0.00 H new ATOM 0 HB3 CYS A 83 62.621 11.840 -6.834 1.00 0.00 H new ATOM 471 N LEU A 84 61.181 12.650 -2.762 1.00 0.00 N ATOM 472 CA LEU A 84 60.398 12.341 -1.577 1.00 0.00 C ATOM 473 C LEU A 84 60.471 10.864 -1.249 1.00 0.00 C ATOM 474 O LEU A 84 59.482 10.239 -0.869 1.00 0.00 O ATOM 475 CB LEU A 84 58.939 12.775 -1.748 1.00 0.00 C ATOM 476 CG LEU A 84 58.419 13.380 -0.446 1.00 0.00 C ATOM 477 CD1 LEU A 84 56.977 13.854 -0.648 1.00 0.00 C ATOM 478 CD2 LEU A 84 58.460 12.316 0.654 1.00 0.00 C ATOM 0 H LEU A 84 62.082 13.085 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 84 60.826 12.902 -0.746 1.00 0.00 H new ATOM 0 HB2 LEU A 84 58.860 13.504 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 84 58.327 11.919 -2.031 1.00 0.00 H new ATOM 0 HG LEU A 84 59.041 14.227 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 84 56.603 14.286 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 84 56.948 14.606 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 84 56.352 13.007 -0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 84 58.090 12.742 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 84 57.833 11.472 0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 84 59.486 11.976 0.793 1.00 0.00 H new ATOM 490 N HIS A 85 61.660 10.315 -1.378 1.00 0.00 N ATOM 491 CA HIS A 85 61.867 8.921 -1.068 1.00 0.00 C ATOM 492 C HIS A 85 63.126 8.764 -0.239 1.00 0.00 C ATOM 493 O HIS A 85 64.223 9.111 -0.680 1.00 0.00 O ATOM 494 CB HIS A 85 61.983 8.116 -2.349 1.00 0.00 C ATOM 495 CG HIS A 85 60.717 8.278 -3.149 1.00 0.00 C ATOM 496 ND1 HIS A 85 60.726 8.589 -4.497 1.00 0.00 N ATOM 497 CD2 HIS A 85 59.392 8.191 -2.795 1.00 0.00 C ATOM 498 CE1 HIS A 85 59.447 8.679 -4.905 1.00 0.00 C ATOM 499 NE2 HIS A 85 58.592 8.446 -3.906 1.00 0.00 N ATOM 0 H HIS A 85 62.493 10.812 -1.694 1.00 0.00 H new ATOM 0 HA HIS A 85 61.015 8.551 -0.497 1.00 0.00 H new ATOM 0 HB2 HIS A 85 62.841 8.455 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 85 62.150 7.064 -2.118 1.00 0.00 H new ATOM 0 HD2 HIS A 85 59.027 7.960 -1.805 1.00 0.00 H new ATOM 0 HE1 HIS A 85 59.148 8.911 -5.917 1.00 0.00 H new ATOM 0 HE2 HIS A 85 57.573 8.453 -3.948 1.00 0.00 H new ATOM 507 N SER A 86 62.965 8.243 0.959 1.00 0.00 N ATOM 508 CA SER A 86 64.108 8.051 1.834 1.00 0.00 C ATOM 509 C SER A 86 64.756 6.704 1.552 1.00 0.00 C ATOM 510 O SER A 86 64.071 5.708 1.315 1.00 0.00 O ATOM 511 CB SER A 86 63.683 8.099 3.296 1.00 0.00 C ATOM 512 OG SER A 86 63.009 9.324 3.554 1.00 0.00 O ATOM 0 H SER A 86 62.069 7.948 1.347 1.00 0.00 H new ATOM 0 HA SER A 86 64.820 8.854 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 86 63.029 7.257 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 86 64.556 8.009 3.943 1.00 0.00 H new ATOM 0 HG SER A 86 62.734 9.354 4.494 1.00 0.00 H new ATOM 518 N ALA A 87 66.076 6.686 1.575 1.00 0.00 N ATOM 519 CA ALA A 87 66.817 5.454 1.317 1.00 0.00 C ATOM 520 C ALA A 87 68.168 5.481 2.029 1.00 0.00 C ATOM 521 O ALA A 87 68.631 6.536 2.459 1.00 0.00 O ATOM 522 CB ALA A 87 67.026 5.269 -0.191 1.00 0.00 C ATOM 0 H ALA A 87 66.658 7.501 1.768 1.00 0.00 H new ATOM 0 HA ALA A 87 66.236 4.616 1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.579 4.347 -0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 87 66.058 5.214 -0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 87 67.590 6.114 -0.587 1.00 0.00 H new ATOM 528 N CYS A 88 68.792 4.313 2.149 1.00 0.00 N ATOM 529 CA CYS A 88 70.091 4.215 2.806 1.00 0.00 C ATOM 530 C CYS A 88 71.126 4.972 1.987 1.00 0.00 C ATOM 531 O CYS A 88 71.140 4.868 0.771 1.00 0.00 O ATOM 532 CB CYS A 88 70.526 2.752 2.905 1.00 0.00 C ATOM 533 SG CYS A 88 69.113 1.703 3.322 1.00 0.00 S ATOM 0 H CYS A 88 68.423 3.427 1.803 1.00 0.00 H new ATOM 0 HA CYS A 88 70.011 4.639 3.807 1.00 0.00 H new ATOM 0 HB2 CYS A 88 70.960 2.430 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 88 71.302 2.647 3.663 1.00 0.00 H new ATOM 538 N SER A 89 71.996 5.723 2.647 1.00 0.00 N ATOM 539 CA SER A 89 73.008 6.485 1.934 1.00 0.00 C ATOM 540 C SER A 89 73.845 5.568 1.055 1.00 0.00 C ATOM 541 O SER A 89 74.122 5.894 -0.100 1.00 0.00 O ATOM 542 CB SER A 89 73.913 7.202 2.933 1.00 0.00 C ATOM 543 OG SER A 89 74.899 7.941 2.228 1.00 0.00 O ATOM 0 H SER A 89 72.022 5.820 3.662 1.00 0.00 H new ATOM 0 HA SER A 89 72.509 7.219 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 89 73.323 7.869 3.562 1.00 0.00 H new ATOM 0 HB3 SER A 89 74.389 6.478 3.595 1.00 0.00 H new ATOM 0 HG SER A 89 75.714 7.998 2.769 1.00 0.00 H new ATOM 549 N ALA A 90 74.233 4.416 1.589 1.00 0.00 N ATOM 550 CA ALA A 90 75.015 3.469 0.808 1.00 0.00 C ATOM 551 C ALA A 90 74.206 3.030 -0.410 1.00 0.00 C ATOM 552 O ALA A 90 74.739 2.899 -1.510 1.00 0.00 O ATOM 553 CB ALA A 90 75.375 2.250 1.655 1.00 0.00 C ATOM 0 H ALA A 90 74.023 4.120 2.542 1.00 0.00 H new ATOM 0 HA ALA A 90 75.937 3.951 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 90 75.960 1.551 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 90 75.960 2.567 2.518 1.00 0.00 H new ATOM 0 HB3 ALA A 90 74.462 1.761 1.995 1.00 0.00 H new ATOM 559 N CYS A 91 72.906 2.827 -0.200 1.00 0.00 N ATOM 560 CA CYS A 91 72.007 2.432 -1.274 1.00 0.00 C ATOM 561 C CYS A 91 71.854 3.562 -2.286 1.00 0.00 C ATOM 562 O CYS A 91 71.674 3.327 -3.480 1.00 0.00 O ATOM 563 CB CYS A 91 70.645 2.043 -0.703 1.00 0.00 C ATOM 564 SG CYS A 91 70.805 0.473 0.187 1.00 0.00 S ATOM 0 H CYS A 91 72.454 2.931 0.709 1.00 0.00 H new ATOM 0 HA CYS A 91 72.434 1.569 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 91 70.282 2.821 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 91 69.914 1.948 -1.506 1.00 0.00 H new ATOM 569 N LEU A 92 71.903 4.790 -1.789 1.00 0.00 N ATOM 570 CA LEU A 92 71.761 5.965 -2.638 1.00 0.00 C ATOM 571 C LEU A 92 72.923 6.104 -3.626 1.00 0.00 C ATOM 572 O LEU A 92 72.723 6.535 -4.769 1.00 0.00 O ATOM 573 CB LEU A 92 71.649 7.229 -1.776 1.00 0.00 C ATOM 574 CG LEU A 92 70.300 7.258 -1.042 1.00 0.00 C ATOM 575 CD1 LEU A 92 70.235 8.494 -0.156 1.00 0.00 C ATOM 576 CD2 LEU A 92 69.145 7.283 -2.043 1.00 0.00 C ATOM 0 H LEU A 92 72.040 4.999 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 92 70.848 5.839 -3.220 1.00 0.00 H new ATOM 0 HB2 LEU A 92 72.464 7.257 -1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 92 71.748 8.115 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 92 70.211 6.360 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 92 69.279 8.517 0.366 1.00 0.00 H new ATOM 0 HD12 LEU A 92 71.045 8.463 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 92 70.334 9.388 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 92 68.197 7.303 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 92 69.226 8.171 -2.669 1.00 0.00 H new ATOM 0 HD23 LEU A 92 69.187 6.392 -2.670 1.00 0.00 H new ATOM 588 N GLY A 93 74.133 5.764 -3.185 1.00 0.00 N ATOM 589 CA GLY A 93 75.305 5.882 -4.052 1.00 0.00 C ATOM 590 C GLY A 93 75.028 5.273 -5.424 1.00 0.00 C ATOM 591 O GLY A 93 75.003 5.983 -6.430 1.00 0.00 O ATOM 0 H GLY A 93 74.327 5.410 -2.248 1.00 0.00 H new ATOM 0 HA2 GLY A 93 75.576 6.932 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 93 76.156 5.380 -3.591 1.00 0.00 H new ATOM 595 N PRO A 94 74.787 3.992 -5.477 1.00 0.00 N ATOM 596 CA PRO A 94 74.465 3.278 -6.752 1.00 0.00 C ATOM 597 C PRO A 94 73.252 3.886 -7.451 1.00 0.00 C ATOM 598 O PRO A 94 73.114 3.799 -8.671 1.00 0.00 O ATOM 599 CB PRO A 94 74.164 1.846 -6.297 1.00 0.00 C ATOM 600 CG PRO A 94 74.878 1.698 -4.997 1.00 0.00 C ATOM 601 CD PRO A 94 74.812 3.068 -4.332 1.00 0.00 C ATOM 0 HA PRO A 94 75.278 3.340 -7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 94 73.092 1.686 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO A 94 74.517 1.117 -7.027 1.00 0.00 H new ATOM 0 HG2 PRO A 94 74.405 0.938 -4.375 1.00 0.00 H new ATOM 0 HG3 PRO A 94 75.911 1.387 -5.151 1.00 0.00 H new ATOM 0 HD2 PRO A 94 73.923 3.172 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 94 75.674 3.246 -3.689 1.00 0.00 H new ATOM 609 N ALA A 95 72.372 4.496 -6.661 1.00 0.00 N ATOM 610 CA ALA A 95 71.164 5.115 -7.200 1.00 0.00 C ATOM 611 C ALA A 95 71.524 6.212 -8.201 1.00 0.00 C ATOM 612 O ALA A 95 70.877 6.355 -9.240 1.00 0.00 O ATOM 613 CB ALA A 95 70.333 5.703 -6.055 1.00 0.00 C ATOM 0 H ALA A 95 72.472 4.575 -5.649 1.00 0.00 H new ATOM 0 HA ALA A 95 70.580 4.354 -7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 95 69.432 6.165 -6.459 1.00 0.00 H new ATOM 0 HB2 ALA A 95 70.055 4.909 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 95 70.920 6.455 -5.528 1.00 0.00 H new ATOM 619 N ALA A 96 72.567 6.979 -7.886 1.00 0.00 N ATOM 620 CA ALA A 96 73.001 8.050 -8.783 1.00 0.00 C ATOM 621 C ALA A 96 73.810 7.463 -9.953 1.00 0.00 C ATOM 622 O ALA A 96 74.816 6.791 -9.723 1.00 0.00 O ATOM 623 CB ALA A 96 73.876 9.053 -8.027 1.00 0.00 C ATOM 0 H ALA A 96 73.118 6.883 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 96 72.116 8.557 -9.166 1.00 0.00 H new ATOM 0 HB1 ALA A 96 74.192 9.845 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 96 73.306 9.486 -7.205 1.00 0.00 H new ATOM 0 HB3 ALA A 96 74.754 8.543 -7.630 1.00 0.00 H new ATOM 629 N PRO A 97 73.417 7.690 -11.196 1.00 0.00 N ATOM 630 CA PRO A 97 74.165 7.150 -12.380 1.00 0.00 C ATOM 631 C PRO A 97 75.631 7.574 -12.384 1.00 0.00 C ATOM 632 O PRO A 97 75.968 8.685 -11.983 1.00 0.00 O ATOM 633 CB PRO A 97 73.430 7.760 -13.580 1.00 0.00 C ATOM 634 CG PRO A 97 72.057 8.037 -13.082 1.00 0.00 C ATOM 635 CD PRO A 97 72.231 8.458 -11.628 1.00 0.00 C ATOM 0 HA PRO A 97 74.183 6.060 -12.384 1.00 0.00 H new ATOM 0 HB2 PRO A 97 73.919 8.672 -13.921 1.00 0.00 H new ATOM 0 HB3 PRO A 97 73.413 7.072 -14.425 1.00 0.00 H new ATOM 0 HG2 PRO A 97 71.579 8.825 -13.665 1.00 0.00 H new ATOM 0 HG3 PRO A 97 71.424 7.153 -13.162 1.00 0.00 H new ATOM 0 HD2 PRO A 97 72.391 9.532 -11.536 1.00 0.00 H new ATOM 0 HD3 PRO A 97 71.353 8.214 -11.030 1.00 0.00 H new ATOM 643 N ALA A 98 76.500 6.679 -12.840 1.00 0.00 N ATOM 644 CA ALA A 98 77.927 6.973 -12.892 1.00 0.00 C ATOM 645 C ALA A 98 78.500 6.611 -14.259 1.00 0.00 C ATOM 646 O ALA A 98 79.337 5.715 -14.375 1.00 0.00 O ATOM 647 CB ALA A 98 78.659 6.192 -11.802 1.00 0.00 C ATOM 0 H ALA A 98 76.244 5.751 -13.177 1.00 0.00 H new ATOM 0 HA ALA A 98 78.067 8.041 -12.727 1.00 0.00 H new ATOM 0 HB1 ALA A 98 79.725 6.417 -11.847 1.00 0.00 H new ATOM 0 HB2 ALA A 98 78.269 6.478 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 98 78.507 5.124 -11.955 1.00 0.00 H new ATOM 653 N ALA A 99 78.044 7.314 -15.292 1.00 0.00 N ATOM 654 CA ALA A 99 78.520 7.055 -16.646 1.00 0.00 C ATOM 655 C ALA A 99 80.009 7.363 -16.755 1.00 0.00 C ATOM 656 O ALA A 99 80.489 8.356 -16.209 1.00 0.00 O ATOM 657 CB ALA A 99 77.744 7.915 -17.646 1.00 0.00 C ATOM 0 H ALA A 99 77.352 8.060 -15.219 1.00 0.00 H new ATOM 0 HA ALA A 99 78.360 6.001 -16.874 1.00 0.00 H new ATOM 0 HB1 ALA A 99 78.106 7.716 -18.655 1.00 0.00 H new ATOM 0 HB2 ALA A 99 76.683 7.674 -17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 99 77.890 8.969 -17.410 1.00 0.00 H new ATOM 663 N ALA A 100 80.737 6.505 -17.464 1.00 0.00 N ATOM 664 CA ALA A 100 82.172 6.698 -17.636 1.00 0.00 C ATOM 665 C ALA A 100 82.458 8.004 -18.373 1.00 0.00 C ATOM 666 O ALA A 100 83.384 8.734 -18.021 1.00 0.00 O ATOM 667 CB ALA A 100 82.764 5.527 -18.422 1.00 0.00 C ATOM 0 H ALA A 100 80.360 5.677 -17.925 1.00 0.00 H new ATOM 0 HA ALA A 100 82.632 6.746 -16.649 1.00 0.00 H new ATOM 0 HB1 ALA A 100 83.836 5.678 -18.547 1.00 0.00 H new ATOM 0 HB2 ALA A 100 82.589 4.598 -17.879 1.00 0.00 H new ATOM 0 HB3 ALA A 100 82.289 5.469 -19.401 1.00 0.00 H new ATOM 673 N ASN A 101 81.657 8.289 -19.395 1.00 0.00 N ATOM 674 CA ASN A 101 81.834 9.510 -20.173 1.00 0.00 C ATOM 675 C ASN A 101 80.561 10.349 -20.153 1.00 0.00 C ATOM 676 O ASN A 101 79.471 9.844 -20.419 1.00 0.00 O ATOM 677 CB ASN A 101 82.196 9.159 -21.618 1.00 0.00 C ATOM 678 CG ASN A 101 83.447 8.289 -21.647 1.00 0.00 C ATOM 679 OD1 ASN A 101 83.415 7.169 -22.157 1.00 0.00 O ATOM 680 ND2 ASN A 101 84.556 8.738 -21.123 1.00 0.00 N ATOM 0 H ASN A 101 80.885 7.697 -19.702 1.00 0.00 H new ATOM 0 HA ASN A 101 82.642 10.090 -19.727 1.00 0.00 H new ATOM 0 HB2 ASN A 101 81.367 8.633 -22.092 1.00 0.00 H new ATOM 0 HB3 ASN A 101 82.364 10.071 -22.191 1.00 0.00 H new ATOM 0 HD21 ASN A 101 85.397 8.161 -21.136 1.00 0.00 H new ATOM 0 HD22 ASN A 101 84.581 9.666 -20.701 1.00 0.00 H new ATOM 687 N SER A 102 80.707 11.631 -19.839 1.00 0.00 N ATOM 688 CA SER A 102 79.559 12.529 -19.790 1.00 0.00 C ATOM 689 C SER A 102 78.894 12.630 -21.160 1.00 0.00 C ATOM 690 O SER A 102 77.670 12.583 -21.272 1.00 0.00 O ATOM 691 CB SER A 102 80.002 13.920 -19.335 1.00 0.00 C ATOM 692 OG SER A 102 78.875 14.784 -19.301 1.00 0.00 O ATOM 0 H SER A 102 81.601 12.069 -19.616 1.00 0.00 H new ATOM 0 HA SER A 102 78.839 12.125 -19.078 1.00 0.00 H new ATOM 0 HB2 SER A 102 80.461 13.863 -18.348 1.00 0.00 H new ATOM 0 HB3 SER A 102 80.757 14.315 -20.015 1.00 0.00 H new ATOM 0 HG SER A 102 79.156 15.676 -19.008 1.00 0.00 H new ATOM 698 N SER A 103 79.710 12.772 -22.200 1.00 0.00 N ATOM 699 CA SER A 103 79.191 12.882 -23.557 1.00 0.00 C ATOM 700 C SER A 103 78.144 13.989 -23.640 1.00 0.00 C ATOM 701 O SER A 103 77.131 13.848 -24.325 1.00 0.00 O ATOM 702 CB SER A 103 78.569 11.554 -23.989 1.00 0.00 C ATOM 703 OG SER A 103 79.561 10.536 -23.951 1.00 0.00 O ATOM 0 H SER A 103 80.727 12.813 -22.129 1.00 0.00 H new ATOM 0 HA SER A 103 80.018 13.127 -24.224 1.00 0.00 H new ATOM 0 HB2 SER A 103 77.741 11.295 -23.329 1.00 0.00 H new ATOM 0 HB3 SER A 103 78.160 11.641 -24.995 1.00 0.00 H new ATOM 0 HG SER A 103 79.165 9.683 -24.226 1.00 0.00 H new ATOM 709 N GLY A 104 78.397 15.089 -22.937 1.00 0.00 N ATOM 710 CA GLY A 104 77.469 16.214 -22.937 1.00 0.00 C ATOM 711 C GLY A 104 76.311 15.966 -21.978 1.00 0.00 C ATOM 712 O GLY A 104 76.312 14.989 -21.228 1.00 0.00 O ATOM 0 H GLY A 104 79.230 15.225 -22.364 1.00 0.00 H new ATOM 0 HA2 GLY A 104 77.995 17.124 -22.650 1.00 0.00 H new ATOM 0 HA3 GLY A 104 77.084 16.373 -23.944 1.00 0.00 H new ATOM 716 N ASP A 105 75.323 16.855 -22.005 1.00 0.00 N ATOM 717 CA ASP A 105 74.164 16.719 -21.131 1.00 0.00 C ATOM 718 C ASP A 105 73.427 15.415 -21.421 1.00 0.00 C ATOM 719 O ASP A 105 73.062 14.680 -20.503 1.00 0.00 O ATOM 720 CB ASP A 105 73.214 17.901 -21.339 1.00 0.00 C ATOM 721 CG ASP A 105 72.030 17.793 -20.384 1.00 0.00 C ATOM 722 OD1 ASP A 105 72.242 17.929 -19.191 1.00 0.00 O ATOM 723 OD2 ASP A 105 70.927 17.577 -20.861 1.00 0.00 O ATOM 0 H ASP A 105 75.301 17.671 -22.617 1.00 0.00 H new ATOM 0 HA ASP A 105 74.509 16.707 -20.097 1.00 0.00 H new ATOM 0 HB2 ASP A 105 73.744 18.838 -21.170 1.00 0.00 H new ATOM 0 HB3 ASP A 105 72.860 17.917 -22.370 1.00 0.00 H new ATOM 728 N GLY A 106 73.215 15.134 -22.703 1.00 0.00 N ATOM 729 CA GLY A 106 72.526 13.913 -23.103 1.00 0.00 C ATOM 730 C GLY A 106 73.507 12.752 -23.221 1.00 0.00 C ATOM 731 O GLY A 106 74.708 12.918 -23.007 1.00 0.00 O ATOM 0 H GLY A 106 73.508 15.730 -23.477 1.00 0.00 H new ATOM 0 HA2 GLY A 106 71.754 13.670 -22.373 1.00 0.00 H new ATOM 0 HA3 GLY A 106 72.024 14.069 -24.058 1.00 0.00 H new ATOM 735 N GLY A 107 72.990 11.578 -23.569 1.00 0.00 N ATOM 736 CA GLY A 107 73.836 10.400 -23.718 1.00 0.00 C ATOM 737 C GLY A 107 74.141 9.750 -22.369 1.00 0.00 C ATOM 738 O GLY A 107 74.886 8.773 -22.301 1.00 0.00 O ATOM 0 H GLY A 107 71.999 11.418 -23.751 1.00 0.00 H new ATOM 0 HA2 GLY A 107 73.342 9.677 -24.367 1.00 0.00 H new ATOM 0 HA3 GLY A 107 74.769 10.681 -24.206 1.00 0.00 H new ATOM 742 N ALA A 108 73.569 10.294 -21.296 1.00 0.00 N ATOM 743 CA ALA A 108 73.802 9.745 -19.965 1.00 0.00 C ATOM 744 C ALA A 108 72.512 9.755 -19.150 1.00 0.00 C ATOM 745 O ALA A 108 71.697 10.671 -19.269 1.00 0.00 O ATOM 746 CB ALA A 108 74.873 10.567 -19.244 1.00 0.00 C ATOM 0 H ALA A 108 72.949 11.104 -21.322 1.00 0.00 H new ATOM 0 HA ALA A 108 74.144 8.715 -20.069 1.00 0.00 H new ATOM 0 HB1 ALA A 108 75.043 10.152 -18.250 1.00 0.00 H new ATOM 0 HB2 ALA A 108 75.801 10.535 -19.814 1.00 0.00 H new ATOM 0 HB3 ALA A 108 74.539 11.601 -19.153 1.00 0.00 H new ATOM 752 N ALA A 109 72.332 8.732 -18.322 1.00 0.00 N ATOM 753 CA ALA A 109 71.137 8.634 -17.492 1.00 0.00 C ATOM 754 C ALA A 109 71.051 9.820 -16.536 1.00 0.00 C ATOM 755 O ALA A 109 69.974 10.369 -16.305 1.00 0.00 O ATOM 756 CB ALA A 109 71.163 7.331 -16.693 1.00 0.00 C ATOM 0 H ALA A 109 72.993 7.964 -18.208 1.00 0.00 H new ATOM 0 HA ALA A 109 70.262 8.643 -18.142 1.00 0.00 H new ATOM 0 HB1 ALA A 109 70.267 7.265 -16.075 1.00 0.00 H new ATOM 0 HB2 ALA A 109 71.194 6.484 -17.379 1.00 0.00 H new ATOM 0 HB3 ALA A 109 72.046 7.313 -16.054 1.00 0.00 H new ATOM 762 N GLY A 110 72.196 10.206 -15.988 1.00 0.00 N ATOM 763 CA GLY A 110 72.253 11.327 -15.060 1.00 0.00 C ATOM 764 C GLY A 110 73.701 11.650 -14.713 1.00 0.00 C ATOM 765 O GLY A 110 74.419 12.247 -15.514 1.00 0.00 O ATOM 0 H GLY A 110 73.095 9.760 -16.170 1.00 0.00 H new ATOM 0 HA2 GLY A 110 71.774 12.200 -15.503 1.00 0.00 H new ATOM 0 HA3 GLY A 110 71.699 11.086 -14.153 1.00 0.00 H new ATOM 769 N ASP A 111 74.115 11.242 -13.516 1.00 0.00 N ATOM 770 CA ASP A 111 75.488 11.477 -13.057 1.00 0.00 C ATOM 771 C ASP A 111 75.722 12.953 -12.773 1.00 0.00 C ATOM 772 O ASP A 111 76.340 13.661 -13.570 1.00 0.00 O ATOM 773 CB ASP A 111 76.489 10.982 -14.106 1.00 0.00 C ATOM 774 CG ASP A 111 77.860 10.775 -13.471 1.00 0.00 C ATOM 775 OD1 ASP A 111 77.963 10.927 -12.265 1.00 0.00 O ATOM 776 OD2 ASP A 111 78.788 10.467 -14.201 1.00 0.00 O ATOM 0 H ASP A 111 73.525 10.749 -12.846 1.00 0.00 H new ATOM 0 HA ASP A 111 75.635 10.921 -12.131 1.00 0.00 H new ATOM 0 HB2 ASP A 111 76.137 10.047 -14.542 1.00 0.00 H new ATOM 0 HB3 ASP A 111 76.562 11.705 -14.919 1.00 0.00 H new ATOM 781 N GLY A 112 75.201 13.415 -11.640 1.00 0.00 N ATOM 782 CA GLY A 112 75.328 14.809 -11.258 1.00 0.00 C ATOM 783 C GLY A 112 74.000 15.516 -11.458 1.00 0.00 C ATOM 784 O GLY A 112 73.794 16.631 -10.978 1.00 0.00 O ATOM 0 H GLY A 112 74.687 12.840 -10.973 1.00 0.00 H new ATOM 0 HA2 GLY A 112 75.638 14.884 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 112 76.102 15.291 -11.856 1.00 0.00 H new ATOM 788 N THR A 113 73.098 14.850 -12.170 1.00 0.00 N ATOM 789 CA THR A 113 71.788 15.402 -12.430 1.00 0.00 C ATOM 790 C THR A 113 70.707 14.543 -11.775 1.00 0.00 C ATOM 791 O THR A 113 70.707 14.374 -10.560 1.00 0.00 O ATOM 792 CB THR A 113 71.576 15.551 -13.939 1.00 0.00 C ATOM 793 OG1 THR A 113 71.703 14.283 -14.561 1.00 0.00 O ATOM 794 CG2 THR A 113 72.621 16.509 -14.514 1.00 0.00 C ATOM 0 H THR A 113 73.257 13.927 -12.575 1.00 0.00 H new ATOM 0 HA THR A 113 71.717 16.396 -11.988 1.00 0.00 H new ATOM 0 HB THR A 113 70.579 15.951 -14.126 1.00 0.00 H new ATOM 0 HG1 THR A 113 71.566 14.377 -15.527 1.00 0.00 H new ATOM 0 HG21 THR A 113 72.467 16.613 -15.588 1.00 0.00 H new ATOM 0 HG22 THR A 113 72.522 17.484 -14.037 1.00 0.00 H new ATOM 0 HG23 THR A 113 73.619 16.113 -14.327 1.00 0.00 H new ATOM 802 N VAL A 114 69.784 14.011 -12.562 1.00 0.00 N ATOM 803 CA VAL A 114 68.718 13.196 -12.007 1.00 0.00 C ATOM 804 C VAL A 114 69.283 11.927 -11.376 1.00 0.00 C ATOM 805 O VAL A 114 70.334 11.429 -11.782 1.00 0.00 O ATOM 806 CB VAL A 114 67.729 12.832 -13.112 1.00 0.00 C ATOM 807 CG1 VAL A 114 67.426 14.064 -13.965 1.00 0.00 C ATOM 808 CG2 VAL A 114 68.335 11.740 -13.991 1.00 0.00 C ATOM 0 H VAL A 114 69.752 14.128 -13.575 1.00 0.00 H new ATOM 0 HA VAL A 114 68.206 13.766 -11.232 1.00 0.00 H new ATOM 0 HB VAL A 114 66.803 12.472 -12.664 1.00 0.00 H new ATOM 0 HG11 VAL A 114 66.720 13.797 -14.751 1.00 0.00 H new ATOM 0 HG12 VAL A 114 66.993 14.843 -13.338 1.00 0.00 H new ATOM 0 HG13 VAL A 114 68.349 14.431 -14.415 1.00 0.00 H new ATOM 0 HG21 VAL A 114 67.632 11.477 -14.781 1.00 0.00 H new ATOM 0 HG22 VAL A 114 69.262 12.103 -14.436 1.00 0.00 H new ATOM 0 HG23 VAL A 114 68.545 10.859 -13.384 1.00 0.00 H new ATOM 818 N VAL A 115 68.577 11.416 -10.376 1.00 0.00 N ATOM 819 CA VAL A 115 69.004 10.213 -9.678 1.00 0.00 C ATOM 820 C VAL A 115 67.958 9.117 -9.801 1.00 0.00 C ATOM 821 O VAL A 115 66.767 9.357 -9.601 1.00 0.00 O ATOM 822 CB VAL A 115 69.231 10.515 -8.203 1.00 0.00 C ATOM 823 CG1 VAL A 115 69.608 9.227 -7.470 1.00 0.00 C ATOM 824 CG2 VAL A 115 70.360 11.539 -8.059 1.00 0.00 C ATOM 0 H VAL A 115 67.705 11.817 -10.030 1.00 0.00 H new ATOM 0 HA VAL A 115 69.934 9.873 -10.134 1.00 0.00 H new ATOM 0 HB VAL A 115 68.317 10.922 -7.770 1.00 0.00 H new ATOM 0 HG11 VAL A 115 69.770 9.443 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 115 68.801 8.501 -7.572 1.00 0.00 H new ATOM 0 HG13 VAL A 115 70.521 8.817 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 115 70.523 11.755 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 115 71.275 11.135 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 115 70.087 12.457 -8.580 1.00 0.00 H new ATOM 834 N ASP A 116 68.408 7.913 -10.115 1.00 0.00 N ATOM 835 CA ASP A 116 67.493 6.789 -10.245 1.00 0.00 C ATOM 836 C ASP A 116 67.013 6.350 -8.877 1.00 0.00 C ATOM 837 O ASP A 116 67.789 5.860 -8.057 1.00 0.00 O ATOM 838 CB ASP A 116 68.171 5.624 -10.958 1.00 0.00 C ATOM 839 CG ASP A 116 67.491 4.310 -10.585 1.00 0.00 C ATOM 840 OD1 ASP A 116 67.924 3.694 -9.625 1.00 0.00 O ATOM 841 OD2 ASP A 116 66.546 3.941 -11.262 1.00 0.00 O ATOM 0 H ASP A 116 69.389 7.689 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 116 66.637 7.108 -10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 116 68.125 5.772 -12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 116 69.226 5.586 -10.686 1.00 0.00 H new ATOM 846 N CYS A 117 65.725 6.537 -8.645 1.00 0.00 N ATOM 847 CA CYS A 117 65.127 6.168 -7.378 1.00 0.00 C ATOM 848 C CYS A 117 64.274 4.913 -7.581 1.00 0.00 C ATOM 849 O CYS A 117 63.581 4.805 -8.571 1.00 0.00 O ATOM 850 CB CYS A 117 64.242 7.314 -6.895 1.00 0.00 C ATOM 851 SG CYS A 117 64.307 7.428 -5.093 1.00 0.00 S ATOM 0 H CYS A 117 65.075 6.942 -9.319 1.00 0.00 H new ATOM 0 HA CYS A 117 65.903 5.969 -6.638 1.00 0.00 H new ATOM 0 HB2 CYS A 117 64.574 8.253 -7.339 1.00 0.00 H new ATOM 0 HB3 CYS A 117 63.214 7.153 -7.221 1.00 0.00 H new ATOM 856 N PRO A 118 64.299 3.963 -6.699 1.00 0.00 N ATOM 857 CA PRO A 118 63.489 2.725 -6.876 1.00 0.00 C ATOM 858 C PRO A 118 61.992 3.001 -6.876 1.00 0.00 C ATOM 859 O PRO A 118 61.198 2.152 -7.276 1.00 0.00 O ATOM 860 CB PRO A 118 63.886 1.853 -5.689 1.00 0.00 C ATOM 861 CG PRO A 118 64.430 2.799 -4.672 1.00 0.00 C ATOM 862 CD PRO A 118 65.073 3.936 -5.452 1.00 0.00 C ATOM 0 HA PRO A 118 63.682 2.252 -7.839 1.00 0.00 H new ATOM 0 HB2 PRO A 118 63.028 1.306 -5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 118 64.632 1.113 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 118 63.637 3.171 -4.023 1.00 0.00 H new ATOM 0 HG3 PRO A 118 65.160 2.304 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 118 65.005 4.882 -4.915 1.00 0.00 H new ATOM 0 HD3 PRO A 118 66.131 3.750 -5.638 1.00 0.00 H new ATOM 870 N VAL A 119 61.606 4.180 -6.418 1.00 0.00 N ATOM 871 CA VAL A 119 60.195 4.522 -6.373 1.00 0.00 C ATOM 872 C VAL A 119 59.763 5.290 -7.621 1.00 0.00 C ATOM 873 O VAL A 119 58.911 4.822 -8.378 1.00 0.00 O ATOM 874 CB VAL A 119 59.914 5.352 -5.125 1.00 0.00 C ATOM 875 CG1 VAL A 119 58.419 5.664 -5.048 1.00 0.00 C ATOM 876 CG2 VAL A 119 60.342 4.557 -3.885 1.00 0.00 C ATOM 0 H VAL A 119 62.237 4.905 -6.078 1.00 0.00 H new ATOM 0 HA VAL A 119 59.620 3.597 -6.339 1.00 0.00 H new ATOM 0 HB VAL A 119 60.474 6.286 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 119 58.217 6.257 -4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 119 58.118 6.225 -5.933 1.00 0.00 H new ATOM 0 HG13 VAL A 119 57.855 4.733 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A 119 60.144 5.145 -2.989 1.00 0.00 H new ATOM 0 HG22 VAL A 119 59.780 3.624 -3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 119 61.408 4.335 -3.945 1.00 0.00 H new ATOM 886 N CYS A 120 60.346 6.467 -7.838 1.00 0.00 N ATOM 887 CA CYS A 120 59.993 7.274 -9.005 1.00 0.00 C ATOM 888 C CYS A 120 60.885 6.946 -10.201 1.00 0.00 C ATOM 889 O CYS A 120 60.495 7.145 -11.351 1.00 0.00 O ATOM 890 CB CYS A 120 60.111 8.761 -8.661 1.00 0.00 C ATOM 891 SG CYS A 120 61.805 9.140 -8.142 1.00 0.00 S ATOM 0 H CYS A 120 61.055 6.879 -7.231 1.00 0.00 H new ATOM 0 HA CYS A 120 58.964 7.041 -9.279 1.00 0.00 H new ATOM 0 HB2 CYS A 120 59.842 9.366 -9.527 1.00 0.00 H new ATOM 0 HB3 CYS A 120 59.412 9.016 -7.865 1.00 0.00 H new ATOM 896 N LYS A 121 62.081 6.440 -9.921 1.00 0.00 N ATOM 897 CA LYS A 121 63.030 6.080 -10.979 1.00 0.00 C ATOM 898 C LYS A 121 63.192 7.225 -11.976 1.00 0.00 C ATOM 899 O LYS A 121 63.582 7.011 -13.126 1.00 0.00 O ATOM 900 CB LYS A 121 62.547 4.808 -11.696 1.00 0.00 C ATOM 901 CG LYS A 121 63.296 3.568 -11.174 1.00 0.00 C ATOM 902 CD LYS A 121 62.353 2.701 -10.334 1.00 0.00 C ATOM 903 CE LYS A 121 62.920 1.286 -10.241 1.00 0.00 C ATOM 904 NZ LYS A 121 62.048 0.459 -9.360 1.00 0.00 N ATOM 0 H LYS A 121 62.420 6.269 -8.974 1.00 0.00 H new ATOM 0 HA LYS A 121 64.003 5.888 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 121 61.475 4.683 -11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 121 62.705 4.908 -12.770 1.00 0.00 H new ATOM 0 HG2 LYS A 121 63.686 2.989 -12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 121 64.152 3.876 -10.573 1.00 0.00 H new ATOM 0 HD2 LYS A 121 62.240 3.127 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 121 61.361 2.679 -10.785 1.00 0.00 H new ATOM 0 HE2 LYS A 121 62.979 0.840 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 121 63.934 1.315 -9.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 62.570 -0.385 -9.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 61.765 1.017 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 61.200 0.167 -9.886 1.00 0.00 H new ATOM 918 N GLN A 122 62.913 8.445 -11.524 1.00 0.00 N ATOM 919 CA GLN A 122 63.053 9.615 -12.379 1.00 0.00 C ATOM 920 C GLN A 122 62.985 10.898 -11.557 1.00 0.00 C ATOM 921 O GLN A 122 61.956 11.207 -10.952 1.00 0.00 O ATOM 922 CB GLN A 122 61.953 9.626 -13.438 1.00 0.00 C ATOM 923 CG GLN A 122 62.140 10.839 -14.349 1.00 0.00 C ATOM 924 CD GLN A 122 61.112 10.803 -15.477 1.00 0.00 C ATOM 925 OE1 GLN A 122 60.015 10.272 -15.301 1.00 0.00 O ATOM 926 NE2 GLN A 122 61.402 11.338 -16.632 1.00 0.00 N ATOM 0 H GLN A 122 62.591 8.646 -10.577 1.00 0.00 H new ATOM 0 HA GLN A 122 64.026 9.564 -12.868 1.00 0.00 H new ATOM 0 HB2 GLN A 122 61.988 8.708 -14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 122 60.974 9.663 -12.961 1.00 0.00 H new ATOM 0 HG2 GLN A 122 62.029 11.758 -13.773 1.00 0.00 H new ATOM 0 HG3 GLN A 122 63.148 10.842 -14.764 1.00 0.00 H new ATOM 0 HE21 GLN A 122 62.311 11.778 -16.777 1.00 0.00 H new ATOM 0 HE22 GLN A 122 60.720 11.316 -17.390 1.00 0.00 H new ATOM 935 N GLN A 123 64.081 11.647 -11.549 1.00 0.00 N ATOM 936 CA GLN A 123 64.133 12.903 -10.812 1.00 0.00 C ATOM 937 C GLN A 123 64.380 14.066 -11.755 1.00 0.00 C ATOM 938 O GLN A 123 64.902 13.886 -12.849 1.00 0.00 O ATOM 939 CB GLN A 123 65.236 12.853 -9.752 1.00 0.00 C ATOM 940 CG GLN A 123 64.606 12.737 -8.365 1.00 0.00 C ATOM 941 CD GLN A 123 63.779 13.987 -8.069 1.00 0.00 C ATOM 942 OE1 GLN A 123 62.575 13.896 -7.826 1.00 0.00 O ATOM 943 NE2 GLN A 123 64.353 15.158 -8.092 1.00 0.00 N ATOM 0 H GLN A 123 64.941 11.408 -12.042 1.00 0.00 H new ATOM 0 HA GLN A 123 63.172 13.048 -10.319 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.894 12.004 -9.936 1.00 0.00 H new ATOM 0 HB3 GLN A 123 65.851 13.751 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 123 63.974 11.851 -8.315 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.384 12.617 -7.611 1.00 0.00 H new ATOM 0 HE21 GLN A 123 65.350 15.233 -8.293 1.00 0.00 H new ATOM 0 HE22 GLN A 123 63.805 15.998 -7.909 1.00 0.00 H new ATOM 952 N CYS A 124 63.991 15.263 -11.329 1.00 0.00 N ATOM 953 CA CYS A 124 64.184 16.445 -12.154 1.00 0.00 C ATOM 954 C CYS A 124 65.601 16.985 -11.976 1.00 0.00 C ATOM 955 O CYS A 124 66.308 17.238 -12.951 1.00 0.00 O ATOM 956 CB CYS A 124 63.167 17.521 -11.773 1.00 0.00 C ATOM 957 SG CYS A 124 63.009 18.706 -13.133 1.00 0.00 S ATOM 0 H CYS A 124 63.546 15.437 -10.428 1.00 0.00 H new ATOM 0 HA CYS A 124 64.038 16.171 -13.199 1.00 0.00 H new ATOM 0 HB2 CYS A 124 62.201 17.064 -11.559 1.00 0.00 H new ATOM 0 HB3 CYS A 124 63.485 18.033 -10.865 1.00 0.00 H new ATOM 0 HG CYS A 124 63.560 19.833 -12.793 1.00 0.00 H new ATOM 963 N PHE A 125 66.009 17.154 -10.719 1.00 0.00 N ATOM 964 CA PHE A 125 67.344 17.663 -10.414 1.00 0.00 C ATOM 965 C PHE A 125 67.926 16.942 -9.207 1.00 0.00 C ATOM 966 O PHE A 125 67.265 16.104 -8.594 1.00 0.00 O ATOM 967 CB PHE A 125 67.295 19.159 -10.102 1.00 0.00 C ATOM 968 CG PHE A 125 66.505 19.884 -11.167 1.00 0.00 C ATOM 969 CD1 PHE A 125 65.286 20.493 -10.842 1.00 0.00 C ATOM 970 CD2 PHE A 125 66.991 19.947 -12.480 1.00 0.00 C ATOM 971 CE1 PHE A 125 64.554 21.164 -11.827 1.00 0.00 C ATOM 972 CE2 PHE A 125 66.256 20.620 -13.465 1.00 0.00 C ATOM 973 CZ PHE A 125 65.038 21.228 -13.140 1.00 0.00 C ATOM 0 H PHE A 125 65.437 16.947 -9.900 1.00 0.00 H new ATOM 0 HA PHE A 125 67.970 17.490 -11.290 1.00 0.00 H new ATOM 0 HB2 PHE A 125 66.838 19.320 -9.126 1.00 0.00 H new ATOM 0 HB3 PHE A 125 68.307 19.561 -10.051 1.00 0.00 H new ATOM 0 HD1 PHE A 125 64.911 20.444 -9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 125 67.930 19.478 -12.732 1.00 0.00 H new ATOM 0 HE1 PHE A 125 63.615 21.633 -11.575 1.00 0.00 H new ATOM 0 HE2 PHE A 125 66.630 20.670 -14.477 1.00 0.00 H new ATOM 0 HZ PHE A 125 64.472 21.746 -13.900 1.00 0.00 H new ATOM 983 N SER A 126 69.171 17.276 -8.873 1.00 0.00 N ATOM 984 CA SER A 126 69.832 16.656 -7.735 1.00 0.00 C ATOM 985 C SER A 126 70.192 17.685 -6.660 1.00 0.00 C ATOM 986 O SER A 126 71.327 17.752 -6.186 1.00 0.00 O ATOM 987 CB SER A 126 71.084 15.925 -8.206 1.00 0.00 C ATOM 988 OG SER A 126 71.539 16.503 -9.422 1.00 0.00 O ATOM 0 H SER A 126 69.734 17.966 -9.370 1.00 0.00 H new ATOM 0 HA SER A 126 69.139 15.944 -7.287 1.00 0.00 H new ATOM 0 HB2 SER A 126 71.863 15.989 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 126 70.867 14.867 -8.352 1.00 0.00 H new ATOM 0 HG SER A 126 72.499 16.335 -9.525 1.00 0.00 H new ATOM 994 N LYS A 127 69.212 18.481 -6.279 1.00 0.00 N ATOM 995 CA LYS A 127 69.416 19.502 -5.254 1.00 0.00 C ATOM 996 C LYS A 127 69.244 18.926 -3.849 1.00 0.00 C ATOM 997 O LYS A 127 69.810 19.445 -2.887 1.00 0.00 O ATOM 998 CB LYS A 127 68.431 20.647 -5.459 1.00 0.00 C ATOM 999 CG LYS A 127 67.010 20.104 -5.368 1.00 0.00 C ATOM 1000 CD LYS A 127 66.211 20.602 -6.570 1.00 0.00 C ATOM 1001 CE LYS A 127 65.795 22.054 -6.344 1.00 0.00 C ATOM 1002 NZ LYS A 127 65.040 22.545 -7.531 1.00 0.00 N ATOM 0 H LYS A 127 68.266 18.446 -6.659 1.00 0.00 H new ATOM 0 HA LYS A 127 70.437 19.871 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 127 68.588 21.418 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 127 68.594 21.114 -6.430 1.00 0.00 H new ATOM 0 HG2 LYS A 127 67.024 19.014 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 127 66.540 20.432 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 127 66.811 20.522 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 127 65.329 19.979 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 127 65.177 22.131 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 127 66.676 22.674 -6.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 64.757 23.534 -7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 65.644 22.485 -8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 64.192 21.959 -7.670 1.00 0.00 H new ATOM 1016 N ASP A 128 68.447 17.866 -3.732 1.00 0.00 N ATOM 1017 CA ASP A 128 68.198 17.254 -2.426 1.00 0.00 C ATOM 1018 C ASP A 128 68.786 15.847 -2.348 1.00 0.00 C ATOM 1019 O ASP A 128 68.339 15.020 -1.556 1.00 0.00 O ATOM 1020 CB ASP A 128 66.696 17.187 -2.150 1.00 0.00 C ATOM 1021 CG ASP A 128 66.431 17.373 -0.660 1.00 0.00 C ATOM 1022 OD1 ASP A 128 67.009 18.281 -0.085 1.00 0.00 O ATOM 1023 OD2 ASP A 128 65.657 16.605 -0.116 1.00 0.00 O ATOM 0 H ASP A 128 67.968 17.417 -4.513 1.00 0.00 H new ATOM 0 HA ASP A 128 68.684 17.876 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 128 66.179 17.959 -2.719 1.00 0.00 H new ATOM 0 HB3 ASP A 128 66.299 16.227 -2.481 1.00 0.00 H new ATOM 1028 N ILE A 129 69.786 15.579 -3.174 1.00 0.00 N ATOM 1029 CA ILE A 129 70.422 14.267 -3.178 1.00 0.00 C ATOM 1030 C ILE A 129 71.026 13.955 -1.815 1.00 0.00 C ATOM 1031 O ILE A 129 70.809 14.695 -0.855 1.00 0.00 O ATOM 1032 CB ILE A 129 71.517 14.211 -4.243 1.00 0.00 C ATOM 1033 CG1 ILE A 129 72.412 15.450 -4.126 1.00 0.00 C ATOM 1034 CG2 ILE A 129 70.879 14.156 -5.626 1.00 0.00 C ATOM 1035 CD1 ILE A 129 73.669 15.260 -4.976 1.00 0.00 C ATOM 0 H ILE A 129 70.173 16.244 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 129 69.658 13.524 -3.405 1.00 0.00 H new ATOM 0 HB ILE A 129 72.125 13.319 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 129 71.869 16.335 -4.456 1.00 0.00 H new ATOM 0 HG13 ILE A 129 72.687 15.615 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 129 71.660 14.116 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 129 70.252 13.267 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 129 70.268 15.045 -5.780 1.00 0.00 H new ATOM 0 HD11 ILE A 129 74.303 16.143 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 129 74.216 14.385 -4.626 1.00 0.00 H new ATOM 0 HD13 ILE A 129 73.385 15.117 -6.019 1.00 0.00 H new ATOM 1047 N VAL A 130 71.772 12.849 -1.746 1.00 0.00 N ATOM 1048 CA VAL A 130 72.412 12.420 -0.512 1.00 0.00 C ATOM 1049 C VAL A 130 73.001 13.610 0.230 1.00 0.00 C ATOM 1050 O VAL A 130 74.030 14.147 -0.167 1.00 0.00 O ATOM 1051 CB VAL A 130 73.521 11.416 -0.830 1.00 0.00 C ATOM 1052 CG1 VAL A 130 72.908 10.037 -1.071 1.00 0.00 C ATOM 1053 CG2 VAL A 130 74.277 11.861 -2.090 1.00 0.00 C ATOM 0 H VAL A 130 71.945 12.234 -2.541 1.00 0.00 H new ATOM 0 HA VAL A 130 71.661 11.950 0.123 1.00 0.00 H new ATOM 0 HB VAL A 130 74.213 11.368 0.011 1.00 0.00 H new ATOM 0 HG11 VAL A 130 73.699 9.322 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 130 72.373 9.715 -0.177 1.00 0.00 H new ATOM 0 HG13 VAL A 130 72.214 10.089 -1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 130 75.066 11.143 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 130 73.585 11.912 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 130 74.717 12.844 -1.922 1.00 0.00 H new ATOM 1063 N GLU A 131 72.318 14.014 1.296 1.00 0.00 N ATOM 1064 CA GLU A 131 72.734 15.152 2.110 1.00 0.00 C ATOM 1065 C GLU A 131 71.703 15.440 3.181 1.00 0.00 C ATOM 1066 O GLU A 131 72.029 15.902 4.273 1.00 0.00 O ATOM 1067 CB GLU A 131 72.836 16.395 1.246 1.00 0.00 C ATOM 1068 CG GLU A 131 74.306 16.712 0.994 1.00 0.00 C ATOM 1069 CD GLU A 131 74.469 17.450 -0.330 1.00 0.00 C ATOM 1070 OE1 GLU A 131 74.381 16.803 -1.360 1.00 0.00 O ATOM 1071 OE2 GLU A 131 74.678 18.652 -0.295 1.00 0.00 O ATOM 0 H GLU A 131 71.462 13.563 1.620 1.00 0.00 H new ATOM 0 HA GLU A 131 73.696 14.906 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 131 72.318 16.238 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 131 72.350 17.236 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 131 74.698 17.321 1.808 1.00 0.00 H new ATOM 0 HG3 GLU A 131 74.886 15.789 0.978 1.00 0.00 H new ATOM 1078 N ASN A 132 70.451 15.200 2.842 1.00 0.00 N ATOM 1079 CA ASN A 132 69.372 15.471 3.763 1.00 0.00 C ATOM 1080 C ASN A 132 69.199 14.314 4.741 1.00 0.00 C ATOM 1081 O ASN A 132 68.203 13.591 4.695 1.00 0.00 O ATOM 1082 CB ASN A 132 68.084 15.700 2.976 1.00 0.00 C ATOM 1083 CG ASN A 132 68.344 16.719 1.875 1.00 0.00 C ATOM 1084 OD1 ASN A 132 68.217 17.922 2.099 1.00 0.00 O ATOM 1085 ND2 ASN A 132 68.729 16.308 0.699 1.00 0.00 N ATOM 0 H ASN A 132 70.160 14.820 1.941 1.00 0.00 H new ATOM 0 HA ASN A 132 69.608 16.366 4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 132 67.736 14.762 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 132 67.297 16.057 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 132 68.926 16.985 -0.038 1.00 0.00 H new ATOM 0 HD22 ASN A 132 68.833 15.310 0.517 1.00 0.00 H new ATOM 1092 N TYR A 133 70.181 14.145 5.620 1.00 0.00 N ATOM 1093 CA TYR A 133 70.147 13.080 6.599 1.00 0.00 C ATOM 1094 C TYR A 133 69.591 13.585 7.925 1.00 0.00 C ATOM 1095 O TYR A 133 69.990 13.121 8.991 1.00 0.00 O ATOM 1096 CB TYR A 133 71.556 12.524 6.809 1.00 0.00 C ATOM 1097 CG TYR A 133 72.523 13.634 7.141 1.00 0.00 C ATOM 1098 CD1 TYR A 133 72.656 14.058 8.460 1.00 0.00 C ATOM 1099 CD2 TYR A 133 73.290 14.229 6.133 1.00 0.00 C ATOM 1100 CE1 TYR A 133 73.554 15.082 8.784 1.00 0.00 C ATOM 1101 CE2 TYR A 133 74.188 15.254 6.451 1.00 0.00 C ATOM 1102 CZ TYR A 133 74.321 15.682 7.778 1.00 0.00 C ATOM 1103 OH TYR A 133 75.208 16.692 8.092 1.00 0.00 O ATOM 0 H TYR A 133 71.010 14.737 5.669 1.00 0.00 H new ATOM 0 HA TYR A 133 69.495 12.289 6.227 1.00 0.00 H new ATOM 0 HB2 TYR A 133 71.546 11.790 7.615 1.00 0.00 H new ATOM 0 HB3 TYR A 133 71.885 12.005 5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 133 72.064 13.595 9.236 1.00 0.00 H new ATOM 0 HD2 TYR A 133 73.189 13.897 5.110 1.00 0.00 H new ATOM 0 HE1 TYR A 133 73.655 15.409 9.808 1.00 0.00 H new ATOM 0 HE2 TYR A 133 74.779 15.715 5.673 1.00 0.00 H new ATOM 0 HH TYR A 133 75.660 16.996 7.277 1.00 0.00 H new ATOM 1113 N PHE A 134 68.669 14.537 7.852 1.00 0.00 N ATOM 1114 CA PHE A 134 68.073 15.096 9.048 1.00 0.00 C ATOM 1115 C PHE A 134 67.333 14.018 9.831 1.00 0.00 C ATOM 1116 O PHE A 134 67.376 13.993 11.060 1.00 0.00 O ATOM 1117 CB PHE A 134 67.110 16.212 8.660 1.00 0.00 C ATOM 1118 CG PHE A 134 67.894 17.443 8.278 1.00 0.00 C ATOM 1119 CD1 PHE A 134 67.970 17.827 6.939 1.00 0.00 C ATOM 1120 CD2 PHE A 134 68.543 18.199 9.263 1.00 0.00 C ATOM 1121 CE1 PHE A 134 68.698 18.967 6.575 1.00 0.00 C ATOM 1122 CE2 PHE A 134 69.270 19.340 8.903 1.00 0.00 C ATOM 1123 CZ PHE A 134 69.347 19.726 7.559 1.00 0.00 C ATOM 0 H PHE A 134 68.322 14.934 6.979 1.00 0.00 H new ATOM 0 HA PHE A 134 68.863 15.500 9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 134 66.484 15.893 7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 134 66.443 16.437 9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 134 67.467 17.244 6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 134 68.482 17.902 10.300 1.00 0.00 H new ATOM 0 HE1 PHE A 134 68.759 19.261 5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 134 69.771 19.923 9.662 1.00 0.00 H new ATOM 0 HZ PHE A 134 69.906 20.607 7.281 1.00 0.00 H new ATOM 1133 N MET A 135 66.658 13.126 9.114 1.00 0.00 N ATOM 1134 CA MET A 135 65.919 12.051 9.759 1.00 0.00 C ATOM 1135 C MET A 135 66.758 10.780 9.829 1.00 0.00 C ATOM 1136 O MET A 135 67.292 10.314 8.822 1.00 0.00 O ATOM 1137 CB MET A 135 64.628 11.772 8.995 1.00 0.00 C ATOM 1138 CG MET A 135 63.478 12.551 9.633 1.00 0.00 C ATOM 1139 SD MET A 135 63.105 11.855 11.262 1.00 0.00 S ATOM 1140 CE MET A 135 63.080 13.417 12.175 1.00 0.00 C ATOM 0 H MET A 135 66.608 13.127 8.095 1.00 0.00 H new ATOM 0 HA MET A 135 65.679 12.365 10.775 1.00 0.00 H new ATOM 0 HB2 MET A 135 64.742 12.061 7.950 1.00 0.00 H new ATOM 0 HB3 MET A 135 64.409 10.704 9.008 1.00 0.00 H new ATOM 0 HG2 MET A 135 63.747 13.603 9.728 1.00 0.00 H new ATOM 0 HG3 MET A 135 62.595 12.504 8.995 1.00 0.00 H new ATOM 0 HE1 MET A 135 62.863 13.221 13.225 1.00 0.00 H new ATOM 0 HE2 MET A 135 64.051 13.904 12.090 1.00 0.00 H new ATOM 0 HE3 MET A 135 62.310 14.068 11.761 1.00 0.00 H new ATOM 1150 N ARG A 136 66.866 10.225 11.030 1.00 0.00 N ATOM 1151 CA ARG A 136 67.636 9.005 11.239 1.00 0.00 C ATOM 1152 C ARG A 136 66.883 8.040 12.147 1.00 0.00 C ATOM 1153 O ARG A 136 67.455 7.467 13.074 1.00 0.00 O ATOM 1154 CB ARG A 136 68.992 9.337 11.852 1.00 0.00 C ATOM 1155 CG ARG A 136 69.870 9.996 10.791 1.00 0.00 C ATOM 1156 CD ARG A 136 71.304 10.076 11.302 1.00 0.00 C ATOM 1157 NE ARG A 136 71.389 10.981 12.445 1.00 0.00 N ATOM 1158 CZ ARG A 136 72.511 11.111 13.154 1.00 0.00 C ATOM 1159 NH1 ARG A 136 73.583 10.424 12.845 1.00 0.00 N ATOM 1160 NH2 ARG A 136 72.543 11.933 14.168 1.00 0.00 N ATOM 0 H ARG A 136 66.431 10.600 11.873 1.00 0.00 H new ATOM 0 HA ARG A 136 67.787 8.527 10.271 1.00 0.00 H new ATOM 0 HB2 ARG A 136 68.866 10.005 12.704 1.00 0.00 H new ATOM 0 HB3 ARG A 136 69.469 8.430 12.225 1.00 0.00 H new ATOM 0 HG2 ARG A 136 69.833 9.422 9.865 1.00 0.00 H new ATOM 0 HG3 ARG A 136 69.497 10.994 10.563 1.00 0.00 H new ATOM 0 HD2 ARG A 136 71.650 9.083 11.590 1.00 0.00 H new ATOM 0 HD3 ARG A 136 71.962 10.424 10.505 1.00 0.00 H new ATOM 0 HE ARG A 136 70.569 11.528 12.708 1.00 0.00 H new ATOM 0 HH11 ARG A 136 73.566 9.780 12.054 1.00 0.00 H new ATOM 0 HH12 ARG A 136 74.435 10.533 13.396 1.00 0.00 H new ATOM 0 HH21 ARG A 136 71.713 12.472 14.414 1.00 0.00 H new ATOM 0 HH22 ARG A 136 73.398 12.036 14.714 1.00 0.00 H new ATOM 1174 N ASP A 137 65.595 7.870 11.875 1.00 0.00 N ATOM 1175 CA ASP A 137 64.764 6.974 12.673 1.00 0.00 C ATOM 1176 C ASP A 137 65.262 5.536 12.565 1.00 0.00 C ATOM 1177 O ASP A 137 65.746 5.112 11.516 1.00 0.00 O ATOM 1178 CB ASP A 137 63.315 7.061 12.204 1.00 0.00 C ATOM 1179 CG ASP A 137 62.719 8.402 12.620 1.00 0.00 C ATOM 1180 OD1 ASP A 137 63.327 9.067 13.443 1.00 0.00 O ATOM 1181 OD2 ASP A 137 61.669 8.748 12.107 1.00 0.00 O ATOM 0 H ASP A 137 65.104 8.337 11.113 1.00 0.00 H new ATOM 0 HA ASP A 137 64.825 7.281 13.717 1.00 0.00 H new ATOM 0 HB2 ASP A 137 63.266 6.951 11.121 1.00 0.00 H new ATOM 0 HB3 ASP A 137 62.734 6.245 12.634 1.00 0.00 H new ATOM 1186 N SER A 138 65.141 4.792 13.663 1.00 0.00 N ATOM 1187 CA SER A 138 65.586 3.406 13.692 1.00 0.00 C ATOM 1188 C SER A 138 65.332 2.784 15.059 1.00 0.00 C ATOM 1189 O SER A 138 64.917 1.629 15.160 1.00 0.00 O ATOM 1190 CB SER A 138 67.069 3.331 13.359 1.00 0.00 C ATOM 1191 OG SER A 138 67.755 4.394 14.007 1.00 0.00 O ATOM 0 H SER A 138 64.740 5.127 14.539 1.00 0.00 H new ATOM 0 HA SER A 138 65.019 2.847 12.948 1.00 0.00 H new ATOM 0 HB2 SER A 138 67.476 2.372 13.680 1.00 0.00 H new ATOM 0 HB3 SER A 138 67.214 3.394 12.281 1.00 0.00 H new ATOM 0 HG SER A 138 68.057 5.044 13.339 1.00 0.00 H new ATOM 1197 N GLY A 139 65.584 3.556 16.111 1.00 0.00 N ATOM 1198 CA GLY A 139 65.380 3.071 17.469 1.00 0.00 C ATOM 1199 C GLY A 139 66.663 2.467 18.023 1.00 0.00 C ATOM 1200 O GLY A 139 67.491 1.945 17.276 1.00 0.00 O ATOM 0 H GLY A 139 65.928 4.514 16.049 1.00 0.00 H new ATOM 0 HA2 GLY A 139 65.053 3.891 18.108 1.00 0.00 H new ATOM 0 HA3 GLY A 139 64.587 2.324 17.478 1.00 0.00 H new ATOM 1204 N SER A 140 66.822 2.542 19.338 1.00 0.00 N ATOM 1205 CA SER A 140 68.008 2.000 19.987 1.00 0.00 C ATOM 1206 C SER A 140 69.273 2.528 19.316 1.00 0.00 C ATOM 1207 O SER A 140 70.312 1.870 19.324 1.00 0.00 O ATOM 1208 CB SER A 140 67.990 0.474 19.915 1.00 0.00 C ATOM 1209 OG SER A 140 66.820 -0.013 20.560 1.00 0.00 O ATOM 0 H SER A 140 66.149 2.970 19.973 1.00 0.00 H new ATOM 0 HA SER A 140 68.005 2.314 21.031 1.00 0.00 H new ATOM 0 HB2 SER A 140 68.009 0.147 18.875 1.00 0.00 H new ATOM 0 HB3 SER A 140 68.880 0.065 20.394 1.00 0.00 H new ATOM 0 HG SER A 140 66.805 -0.992 20.514 1.00 0.00 H new ATOM 1215 N LYS A 141 69.177 3.722 18.739 1.00 0.00 N ATOM 1216 CA LYS A 141 70.321 4.330 18.069 1.00 0.00 C ATOM 1217 C LYS A 141 71.461 4.557 19.056 1.00 0.00 C ATOM 1218 O LYS A 141 72.621 4.269 18.759 1.00 0.00 O ATOM 1219 CB LYS A 141 69.910 5.660 17.434 1.00 0.00 C ATOM 1220 CG LYS A 141 71.113 6.290 16.727 1.00 0.00 C ATOM 1221 CD LYS A 141 70.681 7.590 16.046 1.00 0.00 C ATOM 1222 CE LYS A 141 71.877 8.210 15.323 1.00 0.00 C ATOM 1223 NZ LYS A 141 72.921 8.584 16.318 1.00 0.00 N ATOM 0 H LYS A 141 68.326 4.284 18.722 1.00 0.00 H new ATOM 0 HA LYS A 141 70.666 3.652 17.289 1.00 0.00 H new ATOM 0 HB2 LYS A 141 69.101 5.499 16.721 1.00 0.00 H new ATOM 0 HB3 LYS A 141 69.531 6.337 18.199 1.00 0.00 H new ATOM 0 HG2 LYS A 141 71.907 6.490 17.446 1.00 0.00 H new ATOM 0 HG3 LYS A 141 71.518 5.598 15.989 1.00 0.00 H new ATOM 0 HD2 LYS A 141 69.877 7.392 15.337 1.00 0.00 H new ATOM 0 HD3 LYS A 141 70.289 8.287 16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 141 72.285 7.503 14.601 1.00 0.00 H new ATOM 0 HE3 LYS A 141 71.561 9.090 14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 73.571 9.277 15.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 72.468 9.001 17.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 73.453 7.736 16.598 1.00 0.00 H new ATOM 1237 N ALA A 142 71.124 5.073 20.233 1.00 0.00 N ATOM 1238 CA ALA A 142 72.126 5.332 21.259 1.00 0.00 C ATOM 1239 C ALA A 142 72.730 4.023 21.760 1.00 0.00 C ATOM 1240 O ALA A 142 72.037 3.013 21.873 1.00 0.00 O ATOM 1241 CB ALA A 142 71.493 6.085 22.430 1.00 0.00 C ATOM 0 H ALA A 142 70.170 5.319 20.499 1.00 0.00 H new ATOM 0 HA ALA A 142 72.917 5.941 20.822 1.00 0.00 H new ATOM 0 HB1 ALA A 142 72.249 6.274 23.192 1.00 0.00 H new ATOM 0 HB2 ALA A 142 71.088 7.033 22.077 1.00 0.00 H new ATOM 0 HB3 ALA A 142 70.690 5.485 22.857 1.00 0.00 H new ATOM 1247 N ALA A 143 74.023 4.051 22.061 1.00 0.00 N ATOM 1248 CA ALA A 143 74.709 2.861 22.551 1.00 0.00 C ATOM 1249 C ALA A 143 75.820 3.245 23.522 1.00 0.00 C ATOM 1250 O ALA A 143 76.401 4.326 23.419 1.00 0.00 O ATOM 1251 CB ALA A 143 75.301 2.077 21.378 1.00 0.00 C ATOM 0 H ALA A 143 74.614 4.878 21.975 1.00 0.00 H new ATOM 0 HA ALA A 143 73.984 2.237 23.074 1.00 0.00 H new ATOM 0 HB1 ALA A 143 75.811 1.190 21.754 1.00 0.00 H new ATOM 0 HB2 ALA A 143 74.501 1.776 20.701 1.00 0.00 H new ATOM 0 HB3 ALA A 143 76.013 2.705 20.842 1.00 0.00 H new ATOM 1257 N THR A 144 76.110 2.354 24.465 1.00 0.00 N ATOM 1258 CA THR A 144 77.153 2.611 25.451 1.00 0.00 C ATOM 1259 C THR A 144 78.529 2.586 24.794 1.00 0.00 C ATOM 1260 O THR A 144 79.461 3.246 25.258 1.00 0.00 O ATOM 1261 CB THR A 144 77.095 1.557 26.557 1.00 0.00 C ATOM 1262 OG1 THR A 144 77.301 0.270 25.993 1.00 0.00 O ATOM 1263 CG2 THR A 144 75.727 1.603 27.239 1.00 0.00 C ATOM 0 H THR A 144 75.641 1.454 24.567 1.00 0.00 H new ATOM 0 HA THR A 144 76.986 3.599 25.881 1.00 0.00 H new ATOM 0 HB THR A 144 77.872 1.761 27.294 1.00 0.00 H new ATOM 0 HG1 THR A 144 77.266 -0.407 26.701 1.00 0.00 H new ATOM 0 HG21 THR A 144 75.688 0.851 28.027 1.00 0.00 H new ATOM 0 HG22 THR A 144 75.569 2.591 27.672 1.00 0.00 H new ATOM 0 HG23 THR A 144 74.947 1.400 26.505 1.00 0.00 H new ATOM 1271 N ASP A 145 78.651 1.821 23.714 1.00 0.00 N ATOM 1272 CA ASP A 145 79.919 1.718 23.003 1.00 0.00 C ATOM 1273 C ASP A 145 81.052 1.396 23.972 1.00 0.00 C ATOM 1274 O ASP A 145 82.003 2.159 24.016 1.00 0.00 O ATOM 1275 CB ASP A 145 80.221 3.032 22.280 1.00 0.00 C ATOM 1276 CG ASP A 145 79.303 3.184 21.072 1.00 0.00 C ATOM 1277 OD1 ASP A 145 78.663 2.210 20.712 1.00 0.00 O ATOM 1278 OD2 ASP A 145 79.251 4.274 20.525 1.00 0.00 O ATOM 1279 OXT ASP A 145 80.952 0.390 24.656 1.00 0.00 O ATOM 0 H ASP A 145 77.893 1.267 23.315 1.00 0.00 H new ATOM 0 HA ASP A 145 79.840 0.912 22.273 1.00 0.00 H new ATOM 0 HB2 ASP A 145 80.082 3.872 22.961 1.00 0.00 H new ATOM 0 HB3 ASP A 145 81.263 3.050 21.960 1.00 0.00 H new TER 1284 ASP A 145 HETATM 1285 ZN ZN A 201 62.297 8.382 -5.939 1.00 0.00 ZN HETATM 1286 ZN ZN A 202 68.675 0.737 1.192 1.00 0.00 ZN