USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 550 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 Set 1.1: A 130 HIS : no HD1:sc= -3.43! C(o=-2.2!,f=-2.1!) USER MOD Set 1.2: A 131 THR OG1 : rot 73:sc= 1.22 USER MOD Set 2.1: A 80 LYS NZ :NH3+ 173:sc= 0.727 (180deg=0) USER MOD Set 2.2: A 83 GLN : amide:sc= 1.19 K(o=1.9,f=-6.1!) USER MOD Single : A 69 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot -30:sc= 0.33 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -123:sc= -0.247 (180deg=-2.25) USER MOD Single : A 113 SER OG : rot 180:sc= 0.0321 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 119 TYR OH : rot 180:sc= -0.302 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 135 MET CE :methyl 149:sc= -1.13 (180deg=-6.26!) USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 141 CYS SG : rot 180:sc= -0.189 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 145 GLN : amide:sc= 1.01 K(o=1,f=0) USER MOD ----------------------------------------------------------------- ATOM 52 N TRP A 64 1.465 5.928 3.838 1.00 0.00 N ATOM 53 CA TRP A 64 2.645 5.969 3.000 1.00 0.00 C ATOM 54 C TRP A 64 2.719 7.326 2.304 1.00 0.00 C ATOM 55 O TRP A 64 3.634 8.104 2.578 1.00 0.00 O ATOM 56 CB TRP A 64 2.716 4.741 2.078 1.00 0.00 C ATOM 57 CG TRP A 64 1.438 4.037 1.717 1.00 0.00 C ATOM 58 CD1 TRP A 64 0.842 3.073 2.455 1.00 0.00 C ATOM 59 CD2 TRP A 64 0.616 4.179 0.523 1.00 0.00 C ATOM 60 NE1 TRP A 64 -0.288 2.620 1.810 1.00 0.00 N ATOM 61 CE2 TRP A 64 -0.468 3.254 0.602 1.00 0.00 C ATOM 62 CE3 TRP A 64 0.657 5.021 -0.605 1.00 0.00 C ATOM 63 CZ2 TRP A 64 -1.458 3.168 -0.390 1.00 0.00 C ATOM 64 CZ3 TRP A 64 -0.308 4.918 -1.627 1.00 0.00 C ATOM 65 CH2 TRP A 64 -1.369 4.002 -1.518 1.00 0.00 C ATOM 0 HA TRP A 64 3.552 5.891 3.600 1.00 0.00 H new ATOM 0 HB2 TRP A 64 3.196 5.051 1.150 1.00 0.00 H new ATOM 0 HB3 TRP A 64 3.374 4.011 2.549 1.00 0.00 H new ATOM 0 HD1 TRP A 64 1.199 2.712 3.408 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -0.913 1.904 2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 64 1.442 5.759 -0.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -2.276 2.471 -0.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.232 5.548 -2.501 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.113 3.939 -2.298 1.00 0.00 H new ATOM 76 N GLY A 65 1.749 7.662 1.457 1.00 0.00 N ATOM 77 CA GLY A 65 1.648 9.000 0.895 1.00 0.00 C ATOM 78 C GLY A 65 2.749 9.201 -0.135 1.00 0.00 C ATOM 79 O GLY A 65 2.681 8.626 -1.220 1.00 0.00 O ATOM 0 H GLY A 65 1.020 7.020 1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.671 9.139 0.431 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.734 9.746 1.685 1.00 0.00 H new ATOM 83 N ARG A 66 3.764 10.003 0.197 1.00 0.00 N ATOM 84 CA ARG A 66 4.874 10.320 -0.697 1.00 0.00 C ATOM 85 C ARG A 66 5.743 9.101 -0.990 1.00 0.00 C ATOM 86 O ARG A 66 6.482 9.165 -1.964 1.00 0.00 O ATOM 87 CB ARG A 66 5.719 11.459 -0.087 1.00 0.00 C ATOM 88 CG ARG A 66 6.768 12.048 -1.055 1.00 0.00 C ATOM 89 CD ARG A 66 7.707 13.033 -0.365 1.00 0.00 C ATOM 90 NE ARG A 66 7.030 14.284 -0.016 1.00 0.00 N ATOM 91 CZ ARG A 66 7.043 14.898 1.167 1.00 0.00 C ATOM 92 NH1 ARG A 66 7.466 14.271 2.260 1.00 0.00 N ATOM 93 NH2 ARG A 66 6.625 16.152 1.240 1.00 0.00 N ATOM 0 H ARG A 66 3.836 10.456 1.108 1.00 0.00 H new ATOM 0 HA ARG A 66 4.457 10.645 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.053 12.257 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.228 11.085 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.352 11.237 -1.491 1.00 0.00 H new ATOM 0 HG3 ARG A 66 6.258 12.551 -1.877 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.112 12.576 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.551 13.248 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 66 6.491 14.733 -0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.787 13.305 2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.469 14.756 3.157 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.301 16.631 0.400 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.627 16.639 2.136 1.00 0.00 H new ATOM 107 N LEU A 67 5.702 8.017 -0.196 1.00 0.00 N ATOM 108 CA LEU A 67 6.697 6.942 -0.325 1.00 0.00 C ATOM 109 C LEU A 67 6.801 6.474 -1.782 1.00 0.00 C ATOM 110 O LEU A 67 7.911 6.386 -2.295 1.00 0.00 O ATOM 111 CB LEU A 67 6.475 5.740 0.615 1.00 0.00 C ATOM 112 CG LEU A 67 6.285 6.037 2.114 1.00 0.00 C ATOM 113 CD1 LEU A 67 6.442 4.761 2.949 1.00 0.00 C ATOM 114 CD2 LEU A 67 7.171 7.143 2.695 1.00 0.00 C ATOM 0 H LEU A 67 5.002 7.864 0.530 1.00 0.00 H new ATOM 0 HA LEU A 67 7.641 7.385 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.597 5.197 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.327 5.069 0.510 1.00 0.00 H new ATOM 0 HG LEU A 67 5.267 6.421 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.303 4.997 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.695 4.030 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.439 4.348 2.798 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.952 7.265 3.756 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.219 6.872 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 67 6.973 8.079 2.173 1.00 0.00 H new ATOM 126 N ALA A 68 5.663 6.289 -2.462 1.00 0.00 N ATOM 127 CA ALA A 68 5.566 5.884 -3.860 1.00 0.00 C ATOM 128 C ALA A 68 6.429 6.735 -4.799 1.00 0.00 C ATOM 129 O ALA A 68 7.020 6.174 -5.713 1.00 0.00 O ATOM 130 CB ALA A 68 4.111 5.969 -4.330 1.00 0.00 C ATOM 0 H ALA A 68 4.749 6.424 -2.030 1.00 0.00 H new ATOM 0 HA ALA A 68 5.936 4.860 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.048 5.665 -5.375 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.493 5.308 -3.722 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.755 6.994 -4.228 1.00 0.00 H new ATOM 136 N CYS A 69 6.525 8.049 -4.572 1.00 0.00 N ATOM 137 CA CYS A 69 7.251 8.989 -5.421 1.00 0.00 C ATOM 138 C CYS A 69 8.730 8.610 -5.516 1.00 0.00 C ATOM 139 O CYS A 69 9.330 8.593 -6.595 1.00 0.00 O ATOM 140 CB CYS A 69 7.043 10.406 -4.858 1.00 0.00 C ATOM 141 SG CYS A 69 7.951 11.665 -5.795 1.00 0.00 S ATOM 0 H CYS A 69 6.086 8.497 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 69 6.866 8.955 -6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 69 5.980 10.646 -4.869 1.00 0.00 H new ATOM 0 HB3 CYS A 69 7.364 10.431 -3.817 1.00 0.00 H new ATOM 0 HG CYS A 69 7.733 12.835 -5.273 1.00 0.00 H new ATOM 147 N TYR A 70 9.337 8.255 -4.382 1.00 0.00 N ATOM 148 CA TYR A 70 10.721 7.807 -4.376 1.00 0.00 C ATOM 149 C TYR A 70 10.863 6.471 -5.128 1.00 0.00 C ATOM 150 O TYR A 70 11.940 6.162 -5.646 1.00 0.00 O ATOM 151 CB TYR A 70 11.223 7.668 -2.933 1.00 0.00 C ATOM 152 CG TYR A 70 11.096 8.881 -2.035 1.00 0.00 C ATOM 153 CD1 TYR A 70 9.944 9.062 -1.251 1.00 0.00 C ATOM 154 CD2 TYR A 70 12.167 9.788 -1.926 1.00 0.00 C ATOM 155 CE1 TYR A 70 9.846 10.149 -0.367 1.00 0.00 C ATOM 156 CE2 TYR A 70 12.075 10.883 -1.054 1.00 0.00 C ATOM 157 CZ TYR A 70 10.906 11.079 -0.288 1.00 0.00 C ATOM 158 OH TYR A 70 10.790 12.188 0.487 1.00 0.00 O ATOM 0 H TYR A 70 8.891 8.270 -3.465 1.00 0.00 H new ATOM 0 HA TYR A 70 11.330 8.551 -4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.684 6.844 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 70 12.274 7.382 -2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 70 9.127 8.360 -1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 70 13.061 9.641 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.967 10.273 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 70 12.899 11.576 -0.969 1.00 0.00 H new ATOM 0 HH TYR A 70 11.612 12.718 0.425 1.00 0.00 H new ATOM 168 N LEU A 71 9.793 5.671 -5.186 1.00 0.00 N ATOM 169 CA LEU A 71 9.727 4.342 -5.796 1.00 0.00 C ATOM 170 C LEU A 71 9.241 4.409 -7.251 1.00 0.00 C ATOM 171 O LEU A 71 8.948 3.364 -7.840 1.00 0.00 O ATOM 172 CB LEU A 71 8.820 3.405 -4.967 1.00 0.00 C ATOM 173 CG LEU A 71 9.071 3.399 -3.448 1.00 0.00 C ATOM 174 CD1 LEU A 71 8.042 2.518 -2.728 1.00 0.00 C ATOM 175 CD2 LEU A 71 10.479 2.961 -3.056 1.00 0.00 C ATOM 0 H LEU A 71 8.898 5.952 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 71 10.738 3.935 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.782 3.686 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.943 2.388 -5.340 1.00 0.00 H new ATOM 0 HG LEU A 71 8.963 4.437 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.240 2.529 -1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.039 2.902 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.115 1.496 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 71 10.578 2.983 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 71 10.659 1.948 -3.416 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.208 3.639 -3.500 1.00 0.00 H new ATOM 187 N GLU A 72 9.128 5.615 -7.812 1.00 0.00 N ATOM 188 CA GLU A 72 8.646 5.869 -9.160 1.00 0.00 C ATOM 189 C GLU A 72 9.754 6.394 -10.068 1.00 0.00 C ATOM 190 O GLU A 72 9.621 6.289 -11.288 1.00 0.00 O ATOM 191 CB GLU A 72 7.467 6.860 -9.105 1.00 0.00 C ATOM 192 CG GLU A 72 6.118 6.139 -9.224 1.00 0.00 C ATOM 193 CD GLU A 72 5.895 5.506 -10.598 1.00 0.00 C ATOM 194 OE1 GLU A 72 6.540 5.887 -11.600 1.00 0.00 O ATOM 195 OE2 GLU A 72 5.070 4.566 -10.708 1.00 0.00 O ATOM 0 H GLU A 72 9.381 6.470 -7.316 1.00 0.00 H new ATOM 0 HA GLU A 72 8.306 4.925 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.502 7.416 -8.168 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.564 7.587 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.058 5.364 -8.460 1.00 0.00 H new ATOM 0 HG3 GLU A 72 5.315 6.848 -9.023 1.00 0.00 H new ATOM 202 N PHE A 73 10.849 6.932 -9.516 1.00 0.00 N ATOM 203 CA PHE A 73 11.980 7.345 -10.342 1.00 0.00 C ATOM 204 C PHE A 73 12.582 6.093 -10.999 1.00 0.00 C ATOM 205 O PHE A 73 12.716 6.043 -12.225 1.00 0.00 O ATOM 206 CB PHE A 73 12.994 8.201 -9.544 1.00 0.00 C ATOM 207 CG PHE A 73 14.368 7.581 -9.360 1.00 0.00 C ATOM 208 CD1 PHE A 73 15.256 7.512 -10.452 1.00 0.00 C ATOM 209 CD2 PHE A 73 14.706 6.955 -8.145 1.00 0.00 C ATOM 210 CE1 PHE A 73 16.439 6.762 -10.350 1.00 0.00 C ATOM 211 CE2 PHE A 73 15.914 6.242 -8.035 1.00 0.00 C ATOM 212 CZ PHE A 73 16.766 6.123 -9.143 1.00 0.00 C ATOM 0 H PHE A 73 10.971 7.088 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 73 11.648 8.010 -11.139 1.00 0.00 H new ATOM 0 HB2 PHE A 73 13.111 9.160 -10.049 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.573 8.409 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 73 15.027 8.036 -11.368 1.00 0.00 H new ATOM 0 HD2 PHE A 73 14.039 7.022 -7.298 1.00 0.00 H new ATOM 0 HE1 PHE A 73 17.098 6.677 -11.201 1.00 0.00 H new ATOM 0 HE2 PHE A 73 16.186 5.785 -7.095 1.00 0.00 H new ATOM 0 HZ PHE A 73 17.672 5.541 -9.068 1.00 0.00 H new ATOM 222 N LEU A 74 12.928 5.087 -10.186 1.00 0.00 N ATOM 223 CA LEU A 74 13.423 3.794 -10.637 1.00 0.00 C ATOM 224 C LEU A 74 12.254 2.900 -11.022 1.00 0.00 C ATOM 225 O LEU A 74 11.159 3.005 -10.469 1.00 0.00 O ATOM 226 CB LEU A 74 14.357 3.145 -9.598 1.00 0.00 C ATOM 227 CG LEU A 74 13.746 2.540 -8.316 1.00 0.00 C ATOM 228 CD1 LEU A 74 14.887 1.955 -7.481 1.00 0.00 C ATOM 229 CD2 LEU A 74 12.953 3.507 -7.440 1.00 0.00 C ATOM 0 H LEU A 74 12.867 5.159 -9.170 1.00 0.00 H new ATOM 0 HA LEU A 74 14.034 3.941 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.912 2.354 -10.103 1.00 0.00 H new ATOM 0 HB3 LEU A 74 15.083 3.898 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 74 13.025 1.795 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 74 14.483 1.520 -6.567 1.00 0.00 H new ATOM 0 HD12 LEU A 74 15.399 1.183 -8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.593 2.745 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.570 2.977 -6.568 1.00 0.00 H new ATOM 0 HD22 LEU A 74 13.603 4.319 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 74 12.120 3.916 -8.011 1.00 0.00 H new ATOM 241 N LYS A 75 12.521 1.991 -11.952 1.00 0.00 N ATOM 242 CA LYS A 75 11.587 0.994 -12.464 1.00 0.00 C ATOM 243 C LYS A 75 12.154 -0.384 -12.178 1.00 0.00 C ATOM 244 O LYS A 75 13.195 -0.491 -11.526 1.00 0.00 O ATOM 245 CB LYS A 75 11.372 1.224 -13.965 1.00 0.00 C ATOM 246 CG LYS A 75 10.358 2.331 -14.232 1.00 0.00 C ATOM 247 CD LYS A 75 10.094 2.410 -15.735 1.00 0.00 C ATOM 248 CE LYS A 75 8.965 3.397 -15.997 1.00 0.00 C ATOM 249 NZ LYS A 75 8.671 3.486 -17.437 1.00 0.00 N ATOM 0 H LYS A 75 13.439 1.925 -12.391 1.00 0.00 H new ATOM 0 HA LYS A 75 10.616 1.077 -11.976 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.322 1.482 -14.432 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.030 0.299 -14.429 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.430 2.129 -13.697 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.737 3.285 -13.865 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.997 2.725 -16.258 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.829 1.426 -16.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.071 3.085 -15.457 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.240 4.381 -15.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.898 4.164 -17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.520 3.806 -17.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.387 2.551 -17.792 1.00 0.00 H new ATOM 263 N LYS A 76 11.464 -1.440 -12.633 1.00 0.00 N ATOM 264 CA LYS A 76 11.778 -2.846 -12.361 1.00 0.00 C ATOM 265 C LYS A 76 13.264 -3.185 -12.398 1.00 0.00 C ATOM 266 O LYS A 76 13.702 -3.944 -11.541 1.00 0.00 O ATOM 267 CB LYS A 76 10.943 -3.798 -13.229 1.00 0.00 C ATOM 268 CG LYS A 76 11.120 -3.777 -14.755 1.00 0.00 C ATOM 269 CD LYS A 76 10.461 -2.577 -15.444 1.00 0.00 C ATOM 270 CE LYS A 76 10.338 -2.803 -16.958 1.00 0.00 C ATOM 271 NZ LYS A 76 9.887 -1.587 -17.664 1.00 0.00 N ATOM 0 H LYS A 76 10.640 -1.331 -13.224 1.00 0.00 H new ATOM 0 HA LYS A 76 11.488 -3.002 -11.322 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.147 -4.814 -12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.893 -3.596 -13.019 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.185 -3.776 -14.987 1.00 0.00 H new ATOM 0 HG3 LYS A 76 10.704 -4.695 -15.171 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.472 -2.408 -15.018 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.048 -1.678 -15.255 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.302 -3.117 -17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.635 -3.614 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.817 -1.783 -18.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 8.955 -1.301 -17.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.571 -0.820 -17.505 1.00 0.00 H new ATOM 285 N GLU A 77 13.997 -2.561 -13.315 1.00 0.00 N ATOM 286 CA GLU A 77 15.453 -2.452 -13.390 1.00 0.00 C ATOM 287 C GLU A 77 16.116 -2.594 -12.012 1.00 0.00 C ATOM 288 O GLU A 77 16.806 -3.591 -11.790 1.00 0.00 O ATOM 289 CB GLU A 77 15.812 -1.135 -14.096 1.00 0.00 C ATOM 290 CG GLU A 77 15.338 -1.133 -15.559 1.00 0.00 C ATOM 291 CD GLU A 77 15.327 0.271 -16.146 1.00 0.00 C ATOM 292 OE1 GLU A 77 14.317 0.993 -15.959 1.00 0.00 O ATOM 293 OE2 GLU A 77 16.284 0.687 -16.823 1.00 0.00 O ATOM 0 H GLU A 77 13.550 -2.076 -14.093 1.00 0.00 H new ATOM 0 HA GLU A 77 15.850 -3.280 -13.977 1.00 0.00 H new ATOM 0 HB2 GLU A 77 15.357 -0.300 -13.564 1.00 0.00 H new ATOM 0 HB3 GLU A 77 16.891 -0.985 -14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 77 15.992 -1.771 -16.154 1.00 0.00 H new ATOM 0 HG3 GLU A 77 14.337 -1.560 -15.618 1.00 0.00 H new ATOM 300 N GLU A 78 15.866 -1.685 -11.062 1.00 0.00 N ATOM 301 CA GLU A 78 16.402 -1.751 -9.707 1.00 0.00 C ATOM 302 C GLU A 78 15.282 -1.812 -8.662 1.00 0.00 C ATOM 303 O GLU A 78 15.513 -2.254 -7.539 1.00 0.00 O ATOM 304 CB GLU A 78 17.316 -0.553 -9.429 1.00 0.00 C ATOM 305 CG GLU A 78 18.637 -0.535 -10.207 1.00 0.00 C ATOM 306 CD GLU A 78 18.501 -0.150 -11.682 1.00 0.00 C ATOM 307 OE1 GLU A 78 17.666 0.717 -12.012 1.00 0.00 O ATOM 308 OE2 GLU A 78 19.303 -0.680 -12.492 1.00 0.00 O ATOM 0 H GLU A 78 15.274 -0.870 -11.222 1.00 0.00 H new ATOM 0 HA GLU A 78 16.986 -2.668 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.768 0.361 -9.658 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.542 -0.531 -8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.319 0.165 -9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.095 -1.522 -10.143 1.00 0.00 H new ATOM 315 N LEU A 79 14.043 -1.445 -9.010 1.00 0.00 N ATOM 316 CA LEU A 79 12.865 -1.624 -8.162 1.00 0.00 C ATOM 317 C LEU A 79 12.618 -3.112 -7.846 1.00 0.00 C ATOM 318 O LEU A 79 11.955 -3.439 -6.863 1.00 0.00 O ATOM 319 CB LEU A 79 11.689 -0.938 -8.885 1.00 0.00 C ATOM 320 CG LEU A 79 10.384 -0.611 -8.145 1.00 0.00 C ATOM 321 CD1 LEU A 79 9.409 -1.783 -8.129 1.00 0.00 C ATOM 322 CD2 LEU A 79 10.620 -0.114 -6.725 1.00 0.00 C ATOM 0 H LEU A 79 13.830 -1.007 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 79 13.001 -1.163 -7.184 1.00 0.00 H new ATOM 0 HB2 LEU A 79 12.068 -0.000 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.425 -1.569 -9.733 1.00 0.00 H new ATOM 0 HG LEU A 79 9.932 0.200 -8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.504 -1.496 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.153 -2.057 -9.152 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.872 -2.634 -7.630 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.662 0.101 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.144 -0.880 -6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.223 0.793 -6.753 1.00 0.00 H new ATOM 334 N LYS A 80 13.159 -4.034 -8.650 1.00 0.00 N ATOM 335 CA LYS A 80 13.287 -5.457 -8.320 1.00 0.00 C ATOM 336 C LYS A 80 14.389 -5.697 -7.313 1.00 0.00 C ATOM 337 O LYS A 80 14.094 -6.329 -6.303 1.00 0.00 O ATOM 338 CB LYS A 80 13.548 -6.293 -9.586 1.00 0.00 C ATOM 339 CG LYS A 80 13.672 -7.801 -9.313 1.00 0.00 C ATOM 340 CD LYS A 80 12.403 -8.408 -8.691 1.00 0.00 C ATOM 341 CE LYS A 80 12.626 -8.956 -7.277 1.00 0.00 C ATOM 342 NZ LYS A 80 11.460 -9.728 -6.801 1.00 0.00 N ATOM 0 H LYS A 80 13.529 -3.805 -9.572 1.00 0.00 H new ATOM 0 HA LYS A 80 12.342 -5.770 -7.876 1.00 0.00 H new ATOM 0 HB2 LYS A 80 12.737 -6.126 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.464 -5.942 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 80 13.894 -8.316 -10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.516 -7.975 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.622 -7.648 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.041 -9.212 -9.332 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.512 -9.591 -7.268 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.820 -8.130 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.691 -10.181 -5.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.650 -9.089 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.218 -10.458 -7.501 1.00 0.00 H new ATOM 356 N GLU A 81 15.620 -5.265 -7.583 1.00 0.00 N ATOM 357 CA GLU A 81 16.715 -5.522 -6.660 1.00 0.00 C ATOM 358 C GLU A 81 16.329 -5.047 -5.274 1.00 0.00 C ATOM 359 O GLU A 81 16.393 -5.841 -4.345 1.00 0.00 O ATOM 360 CB GLU A 81 18.043 -4.907 -7.122 1.00 0.00 C ATOM 361 CG GLU A 81 18.812 -5.938 -7.956 1.00 0.00 C ATOM 362 CD GLU A 81 20.309 -5.649 -7.998 1.00 0.00 C ATOM 363 OE1 GLU A 81 20.952 -5.749 -6.930 1.00 0.00 O ATOM 364 OE2 GLU A 81 20.880 -5.468 -9.098 1.00 0.00 O ATOM 0 H GLU A 81 15.878 -4.744 -8.421 1.00 0.00 H new ATOM 0 HA GLU A 81 16.887 -6.598 -6.635 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.856 -4.010 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.637 -4.603 -6.260 1.00 0.00 H new ATOM 0 HG2 GLU A 81 18.648 -6.933 -7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.417 -5.947 -8.972 1.00 0.00 H new ATOM 371 N PHE A 82 15.806 -3.830 -5.151 1.00 0.00 N ATOM 372 CA PHE A 82 15.415 -3.283 -3.869 1.00 0.00 C ATOM 373 C PHE A 82 14.503 -4.236 -3.088 1.00 0.00 C ATOM 374 O PHE A 82 14.869 -4.661 -1.997 1.00 0.00 O ATOM 375 CB PHE A 82 14.770 -1.913 -4.051 1.00 0.00 C ATOM 376 CG PHE A 82 14.503 -1.292 -2.705 1.00 0.00 C ATOM 377 CD1 PHE A 82 13.304 -1.549 -2.010 1.00 0.00 C ATOM 378 CD2 PHE A 82 15.511 -0.524 -2.103 1.00 0.00 C ATOM 379 CE1 PHE A 82 13.075 -0.965 -0.762 1.00 0.00 C ATOM 380 CE2 PHE A 82 15.284 0.054 -0.850 1.00 0.00 C ATOM 381 CZ PHE A 82 14.061 -0.152 -0.202 1.00 0.00 C ATOM 0 H PHE A 82 15.644 -3.202 -5.939 1.00 0.00 H new ATOM 0 HA PHE A 82 16.318 -3.161 -3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 82 15.425 -1.267 -4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 82 13.838 -2.011 -4.608 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.560 -2.200 -2.444 1.00 0.00 H new ATOM 0 HD2 PHE A 82 16.457 -0.380 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.147 -1.140 -0.238 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.050 0.657 -0.384 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.877 0.327 0.748 1.00 0.00 H new ATOM 391 N GLN A 83 13.327 -4.590 -3.624 1.00 0.00 N ATOM 392 CA GLN A 83 12.355 -5.408 -2.889 1.00 0.00 C ATOM 393 C GLN A 83 12.929 -6.777 -2.484 1.00 0.00 C ATOM 394 O GLN A 83 12.482 -7.373 -1.500 1.00 0.00 O ATOM 395 CB GLN A 83 11.045 -5.549 -3.693 1.00 0.00 C ATOM 396 CG GLN A 83 11.198 -6.280 -5.035 1.00 0.00 C ATOM 397 CD GLN A 83 9.901 -6.553 -5.798 1.00 0.00 C ATOM 398 OE1 GLN A 83 9.887 -7.315 -6.764 1.00 0.00 O ATOM 399 NE2 GLN A 83 8.819 -5.849 -5.521 1.00 0.00 N ATOM 0 H GLN A 83 13.027 -4.323 -4.562 1.00 0.00 H new ATOM 0 HA GLN A 83 12.126 -4.888 -1.959 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.315 -6.083 -3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.639 -4.555 -3.879 1.00 0.00 H new ATOM 0 HG2 GLN A 83 11.856 -5.692 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 83 11.697 -7.232 -4.854 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.815 -5.213 -4.724 1.00 0.00 H new ATOM 0 HE22 GLN A 83 7.987 -5.941 -6.104 1.00 0.00 H new ATOM 408 N LEU A 84 13.914 -7.278 -3.231 1.00 0.00 N ATOM 409 CA LEU A 84 14.527 -8.571 -3.026 1.00 0.00 C ATOM 410 C LEU A 84 15.617 -8.469 -1.977 1.00 0.00 C ATOM 411 O LEU A 84 15.554 -9.164 -0.964 1.00 0.00 O ATOM 412 CB LEU A 84 14.946 -9.128 -4.391 1.00 0.00 C ATOM 413 CG LEU A 84 16.437 -9.337 -4.728 1.00 0.00 C ATOM 414 CD1 LEU A 84 16.988 -10.543 -3.963 1.00 0.00 C ATOM 415 CD2 LEU A 84 16.609 -9.601 -6.225 1.00 0.00 C ATOM 0 H LEU A 84 14.313 -6.769 -4.020 1.00 0.00 H new ATOM 0 HA LEU A 84 13.833 -9.302 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 84 14.451 -10.092 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 84 14.535 -8.462 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 84 16.978 -8.434 -4.443 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.041 -10.680 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.885 -10.372 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.431 -11.437 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 84 17.666 -9.747 -6.450 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.052 -10.496 -6.503 1.00 0.00 H new ATOM 0 HD23 LEU A 84 16.232 -8.749 -6.790 1.00 0.00 H new ATOM 427 N LEU A 85 16.579 -7.568 -2.173 1.00 0.00 N ATOM 428 CA LEU A 85 17.664 -7.342 -1.236 1.00 0.00 C ATOM 429 C LEU A 85 17.085 -6.985 0.131 1.00 0.00 C ATOM 430 O LEU A 85 17.693 -7.302 1.157 1.00 0.00 O ATOM 431 CB LEU A 85 18.579 -6.202 -1.725 1.00 0.00 C ATOM 432 CG LEU A 85 19.317 -6.456 -3.056 1.00 0.00 C ATOM 433 CD1 LEU A 85 20.076 -5.193 -3.472 1.00 0.00 C ATOM 434 CD2 LEU A 85 20.281 -7.637 -2.970 1.00 0.00 C ATOM 0 H LEU A 85 16.622 -6.971 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 85 18.258 -8.253 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.977 -5.299 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 85 19.321 -6.001 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 85 18.566 -6.706 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 85 20.597 -5.374 -4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 85 19.372 -4.371 -3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 85 20.801 -4.933 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 85 20.775 -7.774 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 85 21.029 -7.441 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 85 19.728 -8.541 -2.714 1.00 0.00 H new ATOM 446 N LEU A 86 15.893 -6.378 0.142 1.00 0.00 N ATOM 447 CA LEU A 86 15.220 -5.971 1.356 1.00 0.00 C ATOM 448 C LEU A 86 14.766 -7.207 2.110 1.00 0.00 C ATOM 449 O LEU A 86 15.035 -7.358 3.300 1.00 0.00 O ATOM 450 CB LEU A 86 14.024 -5.074 1.009 1.00 0.00 C ATOM 451 CG LEU A 86 13.419 -4.477 2.282 1.00 0.00 C ATOM 452 CD1 LEU A 86 12.964 -3.044 2.023 1.00 0.00 C ATOM 453 CD2 LEU A 86 12.252 -5.308 2.808 1.00 0.00 C ATOM 0 H LEU A 86 15.372 -6.158 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 86 15.902 -5.402 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.343 -4.274 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.269 -5.653 0.477 1.00 0.00 H new ATOM 0 HG LEU A 86 14.196 -4.483 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.535 -2.628 2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.818 -2.441 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.213 -3.038 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.855 -4.846 3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.469 -5.356 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.597 -6.316 3.037 1.00 0.00 H new ATOM 465 N ALA A 87 14.031 -8.084 1.427 1.00 0.00 N ATOM 466 CA ALA A 87 13.479 -9.281 2.028 1.00 0.00 C ATOM 467 C ALA A 87 14.595 -10.205 2.509 1.00 0.00 C ATOM 468 O ALA A 87 14.499 -10.748 3.607 1.00 0.00 O ATOM 469 CB ALA A 87 12.602 -9.982 0.999 1.00 0.00 C ATOM 0 H ALA A 87 13.805 -7.977 0.438 1.00 0.00 H new ATOM 0 HA ALA A 87 12.878 -9.013 2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.179 -10.886 1.437 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.796 -9.315 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.203 -10.247 0.129 1.00 0.00 H new ATOM 475 N ASN A 88 15.677 -10.330 1.738 1.00 0.00 N ATOM 476 CA ASN A 88 16.812 -11.168 2.128 1.00 0.00 C ATOM 477 C ASN A 88 17.444 -10.650 3.425 1.00 0.00 C ATOM 478 O ASN A 88 17.865 -11.452 4.256 1.00 0.00 O ATOM 479 CB ASN A 88 17.876 -11.266 1.014 1.00 0.00 C ATOM 480 CG ASN A 88 17.981 -12.637 0.346 1.00 0.00 C ATOM 481 OD1 ASN A 88 17.522 -13.662 0.849 1.00 0.00 O ATOM 482 ND2 ASN A 88 18.645 -12.702 -0.795 1.00 0.00 N ATOM 0 H ASN A 88 15.791 -9.861 0.839 1.00 0.00 H new ATOM 0 HA ASN A 88 16.425 -12.173 2.297 1.00 0.00 H new ATOM 0 HB2 ASN A 88 17.651 -10.522 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 88 18.847 -11.007 1.435 1.00 0.00 H new ATOM 0 HD21 ASN A 88 18.777 -13.601 -1.258 1.00 0.00 H new ATOM 0 HD22 ASN A 88 19.026 -11.853 -1.213 1.00 0.00 H new ATOM 489 N LYS A 89 17.512 -9.324 3.621 1.00 0.00 N ATOM 490 CA LYS A 89 17.992 -8.684 4.838 1.00 0.00 C ATOM 491 C LYS A 89 17.002 -8.930 5.982 1.00 0.00 C ATOM 492 O LYS A 89 17.402 -9.261 7.097 1.00 0.00 O ATOM 493 CB LYS A 89 18.217 -7.196 4.499 1.00 0.00 C ATOM 494 CG LYS A 89 18.305 -6.259 5.702 1.00 0.00 C ATOM 495 CD LYS A 89 19.454 -6.550 6.677 1.00 0.00 C ATOM 496 CE LYS A 89 20.805 -6.416 5.975 1.00 0.00 C ATOM 497 NZ LYS A 89 21.953 -6.554 6.892 1.00 0.00 N ATOM 0 H LYS A 89 17.223 -8.653 2.909 1.00 0.00 H new ATOM 0 HA LYS A 89 18.936 -9.099 5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 89 19.137 -7.107 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.404 -6.860 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.409 -5.237 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.364 -6.309 6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 89 19.406 -5.860 7.519 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.347 -7.556 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.878 -7.174 5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 89 20.856 -5.445 5.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.839 -6.454 6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.904 -5.815 7.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 21.926 -7.490 7.344 1.00 0.00 H new ATOM 511 N ALA A 90 15.708 -8.748 5.718 1.00 0.00 N ATOM 512 CA ALA A 90 14.658 -8.860 6.716 1.00 0.00 C ATOM 513 C ALA A 90 14.500 -10.274 7.262 1.00 0.00 C ATOM 514 O ALA A 90 14.223 -10.424 8.448 1.00 0.00 O ATOM 515 CB ALA A 90 13.324 -8.482 6.083 1.00 0.00 C ATOM 0 H ALA A 90 15.360 -8.515 4.788 1.00 0.00 H new ATOM 0 HA ALA A 90 14.940 -8.197 7.534 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.532 -8.564 6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 90 13.373 -7.457 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.112 -9.155 5.252 1.00 0.00 H new ATOM 712 N LYS A 105 3.974 -8.330 -6.650 1.00 0.00 N ATOM 713 CA LYS A 105 3.846 -6.898 -6.388 1.00 0.00 C ATOM 714 C LYS A 105 5.104 -6.185 -6.904 1.00 0.00 C ATOM 715 O LYS A 105 6.201 -6.473 -6.423 1.00 0.00 O ATOM 716 CB LYS A 105 3.640 -6.685 -4.866 1.00 0.00 C ATOM 717 CG LYS A 105 2.289 -7.172 -4.301 1.00 0.00 C ATOM 718 CD LYS A 105 1.093 -6.282 -4.692 1.00 0.00 C ATOM 719 CE LYS A 105 -0.247 -7.035 -4.635 1.00 0.00 C ATOM 720 NZ LYS A 105 -0.482 -7.832 -5.858 1.00 0.00 N ATOM 0 HA LYS A 105 2.985 -6.477 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.442 -7.197 -4.334 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.742 -5.622 -4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.104 -8.187 -4.652 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.356 -7.218 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.051 -5.422 -4.024 1.00 0.00 H new ATOM 0 HD3 LYS A 105 1.246 -5.896 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.258 -7.692 -3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.060 -6.321 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -1.395 -8.325 -5.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -0.497 -7.202 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.280 -8.531 -5.969 1.00 0.00 H new ATOM 734 N THR A 106 4.999 -5.293 -7.895 1.00 0.00 N ATOM 735 CA THR A 106 6.158 -4.644 -8.514 1.00 0.00 C ATOM 736 C THR A 106 5.913 -3.180 -8.951 1.00 0.00 C ATOM 737 O THR A 106 6.716 -2.617 -9.695 1.00 0.00 O ATOM 738 CB THR A 106 6.705 -5.600 -9.597 1.00 0.00 C ATOM 739 OG1 THR A 106 7.950 -5.185 -10.115 1.00 0.00 O ATOM 740 CG2 THR A 106 5.753 -5.829 -10.773 1.00 0.00 C ATOM 0 H THR A 106 4.105 -5.001 -8.291 1.00 0.00 H new ATOM 0 HA THR A 106 6.943 -4.491 -7.774 1.00 0.00 H new ATOM 0 HB THR A 106 6.821 -6.542 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 106 8.008 -4.207 -10.084 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.214 -6.512 -11.487 1.00 0.00 H new ATOM 0 HG22 THR A 106 4.821 -6.261 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 106 5.545 -4.878 -11.263 1.00 0.00 H new ATOM 748 N SER A 107 4.878 -2.501 -8.446 1.00 0.00 N ATOM 749 CA SER A 107 4.751 -1.043 -8.578 1.00 0.00 C ATOM 750 C SER A 107 4.785 -0.369 -7.213 1.00 0.00 C ATOM 751 O SER A 107 4.183 -0.865 -6.256 1.00 0.00 O ATOM 752 CB SER A 107 3.482 -0.675 -9.340 1.00 0.00 C ATOM 753 OG SER A 107 3.497 -1.256 -10.631 1.00 0.00 O ATOM 0 H SER A 107 4.110 -2.940 -7.938 1.00 0.00 H new ATOM 0 HA SER A 107 5.604 -0.680 -9.152 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.607 -1.019 -8.789 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.401 0.409 -9.423 1.00 0.00 H new ATOM 0 HG SER A 107 2.676 -1.013 -11.108 1.00 0.00 H new ATOM 759 N GLY A 108 5.483 0.764 -7.141 1.00 0.00 N ATOM 760 CA GLY A 108 5.895 1.460 -5.930 1.00 0.00 C ATOM 761 C GLY A 108 4.799 1.573 -4.879 1.00 0.00 C ATOM 762 O GLY A 108 4.992 1.145 -3.742 1.00 0.00 O ATOM 0 H GLY A 108 5.794 1.248 -7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 108 6.748 0.939 -5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.234 2.461 -6.196 1.00 0.00 H new ATOM 766 N MET A 109 3.636 2.114 -5.251 1.00 0.00 N ATOM 767 CA MET A 109 2.556 2.378 -4.306 1.00 0.00 C ATOM 768 C MET A 109 1.992 1.084 -3.712 1.00 0.00 C ATOM 769 O MET A 109 1.513 1.092 -2.581 1.00 0.00 O ATOM 770 CB MET A 109 1.458 3.232 -4.963 1.00 0.00 C ATOM 771 CG MET A 109 1.144 2.871 -6.425 1.00 0.00 C ATOM 772 SD MET A 109 -0.588 3.034 -6.918 1.00 0.00 S ATOM 773 CE MET A 109 -1.229 1.740 -5.838 1.00 0.00 C ATOM 0 H MET A 109 3.420 2.379 -6.212 1.00 0.00 H new ATOM 0 HA MET A 109 2.970 2.948 -3.474 1.00 0.00 H new ATOM 0 HB2 MET A 109 0.544 3.137 -4.376 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.757 4.279 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 109 1.749 3.504 -7.074 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.458 1.842 -6.601 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.752 0.994 -6.435 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.403 1.266 -5.308 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.920 2.177 -5.117 1.00 0.00 H new ATOM 783 N GLU A 110 2.074 -0.029 -4.440 1.00 0.00 N ATOM 784 CA GLU A 110 1.616 -1.333 -3.970 1.00 0.00 C ATOM 785 C GLU A 110 2.694 -2.081 -3.178 1.00 0.00 C ATOM 786 O GLU A 110 2.341 -2.875 -2.309 1.00 0.00 O ATOM 787 CB GLU A 110 1.152 -2.185 -5.170 1.00 0.00 C ATOM 788 CG GLU A 110 -0.318 -2.022 -5.566 1.00 0.00 C ATOM 789 CD GLU A 110 -1.233 -2.999 -4.826 1.00 0.00 C ATOM 790 OE1 GLU A 110 -1.412 -4.142 -5.306 1.00 0.00 O ATOM 791 OE2 GLU A 110 -1.861 -2.602 -3.820 1.00 0.00 O ATOM 0 H GLU A 110 2.464 -0.049 -5.382 1.00 0.00 H new ATOM 0 HA GLU A 110 0.781 -1.162 -3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.772 -1.936 -6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 110 1.334 -3.235 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.637 -1.001 -5.357 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -0.421 -2.175 -6.640 1.00 0.00 H new ATOM 798 N VAL A 111 3.995 -1.864 -3.431 1.00 0.00 N ATOM 799 CA VAL A 111 5.017 -2.410 -2.529 1.00 0.00 C ATOM 800 C VAL A 111 4.894 -1.659 -1.196 1.00 0.00 C ATOM 801 O VAL A 111 5.005 -2.265 -0.137 1.00 0.00 O ATOM 802 CB VAL A 111 6.453 -2.347 -3.111 1.00 0.00 C ATOM 803 CG1 VAL A 111 7.405 -3.202 -2.259 1.00 0.00 C ATOM 804 CG2 VAL A 111 6.566 -2.882 -4.549 1.00 0.00 C ATOM 0 H VAL A 111 4.354 -1.333 -4.225 1.00 0.00 H new ATOM 0 HA VAL A 111 4.840 -3.476 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 111 6.714 -1.289 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.411 -3.151 -2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.416 -2.825 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.064 -4.237 -2.260 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.600 -2.805 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.253 -3.926 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 111 5.925 -2.295 -5.207 1.00 0.00 H new ATOM 814 N ALA A 112 4.588 -0.359 -1.231 1.00 0.00 N ATOM 815 CA ALA A 112 4.472 0.479 -0.051 1.00 0.00 C ATOM 816 C ALA A 112 3.401 -0.016 0.922 1.00 0.00 C ATOM 817 O ALA A 112 3.685 -0.243 2.099 1.00 0.00 O ATOM 818 CB ALA A 112 4.177 1.910 -0.495 1.00 0.00 C ATOM 0 H ALA A 112 4.412 0.143 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 112 5.417 0.437 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.087 2.552 0.382 1.00 0.00 H new ATOM 0 HB2 ALA A 112 4.989 2.270 -1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.244 1.931 -1.058 1.00 0.00 H new ATOM 824 N SER A 113 2.162 -0.194 0.459 1.00 0.00 N ATOM 825 CA SER A 113 1.076 -0.685 1.302 1.00 0.00 C ATOM 826 C SER A 113 1.350 -2.093 1.844 1.00 0.00 C ATOM 827 O SER A 113 0.813 -2.457 2.894 1.00 0.00 O ATOM 828 CB SER A 113 -0.230 -0.647 0.504 1.00 0.00 C ATOM 829 OG SER A 113 -0.039 -1.019 -0.846 1.00 0.00 O ATOM 0 H SER A 113 1.887 -0.003 -0.504 1.00 0.00 H new ATOM 0 HA SER A 113 0.995 -0.034 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 113 -0.956 -1.317 0.965 1.00 0.00 H new ATOM 0 HB3 SER A 113 -0.651 0.357 0.547 1.00 0.00 H new ATOM 0 HG SER A 113 -0.896 -0.983 -1.320 1.00 0.00 H new ATOM 835 N TYR A 114 2.178 -2.879 1.157 1.00 0.00 N ATOM 836 CA TYR A 114 2.641 -4.188 1.598 1.00 0.00 C ATOM 837 C TYR A 114 3.751 -4.044 2.653 1.00 0.00 C ATOM 838 O TYR A 114 3.794 -4.781 3.633 1.00 0.00 O ATOM 839 CB TYR A 114 3.079 -4.963 0.345 1.00 0.00 C ATOM 840 CG TYR A 114 4.082 -6.070 0.570 1.00 0.00 C ATOM 841 CD1 TYR A 114 3.650 -7.336 1.003 1.00 0.00 C ATOM 842 CD2 TYR A 114 5.448 -5.834 0.326 1.00 0.00 C ATOM 843 CE1 TYR A 114 4.580 -8.368 1.205 1.00 0.00 C ATOM 844 CE2 TYR A 114 6.375 -6.874 0.492 1.00 0.00 C ATOM 845 CZ TYR A 114 5.951 -8.140 0.959 1.00 0.00 C ATOM 846 OH TYR A 114 6.850 -9.139 1.178 1.00 0.00 O ATOM 0 H TYR A 114 2.556 -2.610 0.248 1.00 0.00 H new ATOM 0 HA TYR A 114 1.849 -4.749 2.095 1.00 0.00 H new ATOM 0 HB2 TYR A 114 2.192 -5.392 -0.121 1.00 0.00 H new ATOM 0 HB3 TYR A 114 3.503 -4.255 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 114 2.600 -7.515 1.181 1.00 0.00 H new ATOM 0 HD2 TYR A 114 5.781 -4.856 0.012 1.00 0.00 H new ATOM 0 HE1 TYR A 114 4.247 -9.336 1.549 1.00 0.00 H new ATOM 0 HE2 TYR A 114 7.417 -6.707 0.262 1.00 0.00 H new ATOM 0 HH TYR A 114 7.751 -8.822 0.960 1.00 0.00 H new ATOM 856 N LEU A 115 4.640 -3.064 2.520 1.00 0.00 N ATOM 857 CA LEU A 115 5.767 -2.877 3.423 1.00 0.00 C ATOM 858 C LEU A 115 5.306 -2.309 4.767 1.00 0.00 C ATOM 859 O LEU A 115 5.753 -2.757 5.826 1.00 0.00 O ATOM 860 CB LEU A 115 6.776 -1.956 2.731 1.00 0.00 C ATOM 861 CG LEU A 115 8.196 -2.083 3.293 1.00 0.00 C ATOM 862 CD1 LEU A 115 8.796 -3.468 3.008 1.00 0.00 C ATOM 863 CD2 LEU A 115 9.042 -1.011 2.611 1.00 0.00 C ATOM 0 H LEU A 115 4.596 -2.371 1.773 1.00 0.00 H new ATOM 0 HA LEU A 115 6.239 -3.835 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.793 -2.183 1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.444 -0.923 2.832 1.00 0.00 H new ATOM 0 HG LEU A 115 8.176 -1.957 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.803 -3.520 3.421 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.174 -4.236 3.469 1.00 0.00 H new ATOM 0 HD13 LEU A 115 8.837 -3.632 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.065 -1.064 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A 115 9.038 -1.175 1.533 1.00 0.00 H new ATOM 0 HD23 LEU A 115 8.628 -0.027 2.830 1.00 0.00 H new ATOM 875 N VAL A 116 4.357 -1.369 4.743 1.00 0.00 N ATOM 876 CA VAL A 116 3.690 -0.892 5.952 1.00 0.00 C ATOM 877 C VAL A 116 2.842 -2.021 6.574 1.00 0.00 C ATOM 878 O VAL A 116 2.639 -2.034 7.787 1.00 0.00 O ATOM 879 CB VAL A 116 2.885 0.396 5.646 1.00 0.00 C ATOM 880 CG1 VAL A 116 2.232 0.922 6.919 1.00 0.00 C ATOM 881 CG2 VAL A 116 3.797 1.509 5.089 1.00 0.00 C ATOM 0 H VAL A 116 4.032 -0.920 3.887 1.00 0.00 H new ATOM 0 HA VAL A 116 4.430 -0.618 6.704 1.00 0.00 H new ATOM 0 HB VAL A 116 2.131 0.136 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.669 1.827 6.692 1.00 0.00 H new ATOM 0 HG12 VAL A 116 1.557 0.166 7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.002 1.149 7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.202 2.399 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.568 1.748 5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.267 1.167 4.167 1.00 0.00 H new ATOM 891 N ALA A 117 2.376 -2.992 5.781 1.00 0.00 N ATOM 892 CA ALA A 117 1.658 -4.149 6.314 1.00 0.00 C ATOM 893 C ALA A 117 2.620 -5.073 7.059 1.00 0.00 C ATOM 894 O ALA A 117 2.291 -5.582 8.134 1.00 0.00 O ATOM 895 CB ALA A 117 0.932 -4.912 5.204 1.00 0.00 C ATOM 0 H ALA A 117 2.485 -2.997 4.767 1.00 0.00 H new ATOM 0 HA ALA A 117 0.906 -3.786 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 117 0.408 -5.766 5.632 1.00 0.00 H new ATOM 0 HB2 ALA A 117 0.213 -4.252 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 117 1.657 -5.262 4.469 1.00 0.00 H new ATOM 901 N GLN A 118 3.811 -5.289 6.497 1.00 0.00 N ATOM 902 CA GLN A 118 4.860 -6.083 7.114 1.00 0.00 C ATOM 903 C GLN A 118 5.292 -5.469 8.447 1.00 0.00 C ATOM 904 O GLN A 118 5.383 -6.198 9.439 1.00 0.00 O ATOM 905 CB GLN A 118 6.034 -6.229 6.134 1.00 0.00 C ATOM 906 CG GLN A 118 5.707 -7.166 4.961 1.00 0.00 C ATOM 907 CD GLN A 118 5.968 -8.617 5.341 1.00 0.00 C ATOM 908 OE1 GLN A 118 7.054 -9.136 5.082 1.00 0.00 O ATOM 909 NE2 GLN A 118 5.036 -9.298 5.983 1.00 0.00 N ATOM 0 H GLN A 118 4.072 -4.909 5.587 1.00 0.00 H new ATOM 0 HA GLN A 118 4.480 -7.080 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 118 6.304 -5.247 5.746 1.00 0.00 H new ATOM 0 HB3 GLN A 118 6.904 -6.611 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 118 4.663 -7.043 4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 118 6.312 -6.897 4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 118 4.139 -8.861 6.194 1.00 0.00 H new ATOM 0 HE22 GLN A 118 5.213 -10.261 6.268 1.00 0.00 H new ATOM 918 N TYR A 119 5.527 -4.152 8.506 1.00 0.00 N ATOM 919 CA TYR A 119 6.046 -3.500 9.710 1.00 0.00 C ATOM 920 C TYR A 119 5.163 -2.375 10.222 1.00 0.00 C ATOM 921 O TYR A 119 4.698 -2.435 11.365 1.00 0.00 O ATOM 922 CB TYR A 119 7.469 -2.990 9.488 1.00 0.00 C ATOM 923 CG TYR A 119 8.411 -4.058 8.994 1.00 0.00 C ATOM 924 CD1 TYR A 119 8.952 -4.984 9.907 1.00 0.00 C ATOM 925 CD2 TYR A 119 8.679 -4.162 7.616 1.00 0.00 C ATOM 926 CE1 TYR A 119 9.716 -6.063 9.428 1.00 0.00 C ATOM 927 CE2 TYR A 119 9.474 -5.214 7.141 1.00 0.00 C ATOM 928 CZ TYR A 119 9.971 -6.184 8.042 1.00 0.00 C ATOM 929 OH TYR A 119 10.691 -7.244 7.584 1.00 0.00 O ATOM 0 H TYR A 119 5.364 -3.515 7.726 1.00 0.00 H new ATOM 0 HA TYR A 119 6.051 -4.270 10.482 1.00 0.00 H new ATOM 0 HB2 TYR A 119 7.447 -2.172 8.768 1.00 0.00 H new ATOM 0 HB3 TYR A 119 7.852 -2.581 10.423 1.00 0.00 H new ATOM 0 HD1 TYR A 119 8.781 -4.866 10.967 1.00 0.00 H new ATOM 0 HD2 TYR A 119 8.274 -3.435 6.928 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.107 -6.797 10.117 1.00 0.00 H new ATOM 0 HE2 TYR A 119 9.707 -5.284 6.089 1.00 0.00 H new ATOM 0 HH TYR A 119 10.778 -7.184 6.610 1.00 0.00 H new ATOM 939 N GLY A 120 5.019 -1.324 9.424 1.00 0.00 N ATOM 940 CA GLY A 120 4.584 -0.013 9.867 1.00 0.00 C ATOM 941 C GLY A 120 5.661 1.007 9.503 1.00 0.00 C ATOM 942 O GLY A 120 6.744 0.621 9.055 1.00 0.00 O ATOM 0 H GLY A 120 5.208 -1.366 8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 120 3.638 0.251 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 120 4.413 -0.015 10.944 1.00 0.00 H new ATOM 946 N GLU A 121 5.365 2.292 9.711 1.00 0.00 N ATOM 947 CA GLU A 121 6.117 3.449 9.212 1.00 0.00 C ATOM 948 C GLU A 121 7.620 3.278 9.437 1.00 0.00 C ATOM 949 O GLU A 121 8.400 3.429 8.500 1.00 0.00 O ATOM 950 CB GLU A 121 5.614 4.769 9.860 1.00 0.00 C ATOM 951 CG GLU A 121 4.973 5.767 8.873 1.00 0.00 C ATOM 952 CD GLU A 121 5.143 7.232 9.284 1.00 0.00 C ATOM 953 OE1 GLU A 121 6.170 7.870 8.960 1.00 0.00 O ATOM 954 OE2 GLU A 121 4.235 7.795 9.937 1.00 0.00 O ATOM 0 H GLU A 121 4.552 2.570 10.261 1.00 0.00 H new ATOM 0 HA GLU A 121 5.943 3.510 8.138 1.00 0.00 H new ATOM 0 HB2 GLU A 121 4.885 4.524 10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.453 5.257 10.356 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.413 5.622 7.886 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.910 5.545 8.784 1.00 0.00 H new ATOM 961 N GLN A 122 8.010 2.941 10.672 1.00 0.00 N ATOM 962 CA GLN A 122 9.392 2.890 11.112 1.00 0.00 C ATOM 963 C GLN A 122 10.218 1.963 10.235 1.00 0.00 C ATOM 964 O GLN A 122 11.058 2.430 9.477 1.00 0.00 O ATOM 965 CB GLN A 122 9.458 2.431 12.570 1.00 0.00 C ATOM 966 CG GLN A 122 9.020 3.520 13.556 1.00 0.00 C ATOM 967 CD GLN A 122 9.979 3.575 14.742 1.00 0.00 C ATOM 968 OE1 GLN A 122 9.731 2.992 15.795 1.00 0.00 O ATOM 969 NE2 GLN A 122 11.094 4.262 14.615 1.00 0.00 N ATOM 0 H GLN A 122 7.348 2.691 11.406 1.00 0.00 H new ATOM 0 HA GLN A 122 9.811 3.893 11.029 1.00 0.00 H new ATOM 0 HB2 GLN A 122 8.824 1.554 12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 122 10.477 2.124 12.804 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.996 4.487 13.054 1.00 0.00 H new ATOM 0 HG3 GLN A 122 8.008 3.317 13.907 1.00 0.00 H new ATOM 0 HE21 GLN A 122 11.298 4.745 13.740 1.00 0.00 H new ATOM 0 HE22 GLN A 122 11.754 4.311 15.391 1.00 0.00 H new ATOM 978 N ARG A 123 10.029 0.645 10.343 1.00 0.00 N ATOM 979 CA ARG A 123 10.860 -0.299 9.591 1.00 0.00 C ATOM 980 C ARG A 123 10.503 -0.248 8.112 1.00 0.00 C ATOM 981 O ARG A 123 11.355 -0.602 7.297 1.00 0.00 O ATOM 982 CB ARG A 123 10.690 -1.731 10.129 1.00 0.00 C ATOM 983 CG ARG A 123 11.590 -2.148 11.294 1.00 0.00 C ATOM 984 CD ARG A 123 11.559 -1.119 12.420 1.00 0.00 C ATOM 985 NE ARG A 123 12.249 -1.558 13.636 1.00 0.00 N ATOM 986 CZ ARG A 123 13.543 -1.413 13.933 1.00 0.00 C ATOM 987 NH1 ARG A 123 14.441 -1.103 13.003 1.00 0.00 N ATOM 988 NH2 ARG A 123 13.926 -1.583 15.191 1.00 0.00 N ATOM 0 H ARG A 123 9.319 0.212 10.934 1.00 0.00 H new ATOM 0 HA ARG A 123 11.904 -0.010 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 123 9.653 -1.854 10.441 1.00 0.00 H new ATOM 0 HB3 ARG A 123 10.859 -2.424 9.305 1.00 0.00 H new ATOM 0 HG2 ARG A 123 11.267 -3.117 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 123 12.613 -2.270 10.939 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.015 -0.194 12.068 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.521 -0.891 12.664 1.00 0.00 H new ATOM 0 HE ARG A 123 11.675 -2.028 14.336 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.148 -0.970 12.035 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.423 -0.998 13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 123 13.238 -1.819 15.906 1.00 0.00 H new ATOM 0 HH22 ARG A 123 14.909 -1.478 15.444 1.00 0.00 H new ATOM 1002 N ALA A 124 9.305 0.206 7.726 1.00 0.00 N ATOM 1003 CA ALA A 124 9.030 0.405 6.308 1.00 0.00 C ATOM 1004 C ALA A 124 9.945 1.493 5.715 1.00 0.00 C ATOM 1005 O ALA A 124 10.123 1.501 4.495 1.00 0.00 O ATOM 1006 CB ALA A 124 7.538 0.675 6.049 1.00 0.00 C ATOM 0 H ALA A 124 8.536 0.435 8.356 1.00 0.00 H new ATOM 0 HA ALA A 124 9.263 -0.523 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 124 7.374 0.818 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 124 6.949 -0.174 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 124 7.232 1.573 6.586 1.00 0.00 H new ATOM 1012 N TRP A 125 10.578 2.344 6.539 1.00 0.00 N ATOM 1013 CA TRP A 125 11.534 3.351 6.097 1.00 0.00 C ATOM 1014 C TRP A 125 12.962 3.050 6.556 1.00 0.00 C ATOM 1015 O TRP A 125 13.844 2.990 5.712 1.00 0.00 O ATOM 1016 CB TRP A 125 11.031 4.757 6.467 1.00 0.00 C ATOM 1017 CG TRP A 125 11.345 5.831 5.467 1.00 0.00 C ATOM 1018 CD1 TRP A 125 12.022 6.973 5.715 1.00 0.00 C ATOM 1019 CD2 TRP A 125 10.997 5.881 4.049 1.00 0.00 C ATOM 1020 NE1 TRP A 125 12.109 7.724 4.558 1.00 0.00 N ATOM 1021 CE2 TRP A 125 11.527 7.079 3.485 1.00 0.00 C ATOM 1022 CE3 TRP A 125 10.289 5.026 3.181 1.00 0.00 C ATOM 1023 CZ2 TRP A 125 11.396 7.382 2.116 1.00 0.00 C ATOM 1024 CZ3 TRP A 125 10.137 5.329 1.816 1.00 0.00 C ATOM 1025 CH2 TRP A 125 10.709 6.490 1.272 1.00 0.00 C ATOM 0 H TRP A 125 10.431 2.345 7.548 1.00 0.00 H new ATOM 0 HA TRP A 125 11.598 3.317 5.009 1.00 0.00 H new ATOM 0 HB2 TRP A 125 9.950 4.715 6.604 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.463 5.039 7.427 1.00 0.00 H new ATOM 0 HD1 TRP A 125 12.433 7.256 6.673 1.00 0.00 H new ATOM 0 HE1 TRP A 125 12.549 8.642 4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.854 4.118 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 11.820 8.292 1.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 9.575 4.662 1.180 1.00 0.00 H new ATOM 0 HH2 TRP A 125 10.623 6.697 0.215 1.00 0.00 H new ATOM 1036 N ASP A 126 13.223 2.772 7.833 1.00 0.00 N ATOM 1037 CA ASP A 126 14.558 2.428 8.354 1.00 0.00 C ATOM 1038 C ASP A 126 15.220 1.315 7.538 1.00 0.00 C ATOM 1039 O ASP A 126 16.368 1.412 7.107 1.00 0.00 O ATOM 1040 CB ASP A 126 14.458 1.936 9.806 1.00 0.00 C ATOM 1041 CG ASP A 126 15.840 1.539 10.345 1.00 0.00 C ATOM 1042 OD1 ASP A 126 16.792 2.342 10.218 1.00 0.00 O ATOM 1043 OD2 ASP A 126 15.958 0.397 10.856 1.00 0.00 O ATOM 0 H ASP A 126 12.502 2.778 8.554 1.00 0.00 H new ATOM 0 HA ASP A 126 15.158 3.335 8.289 1.00 0.00 H new ATOM 0 HB2 ASP A 126 14.030 2.720 10.431 1.00 0.00 H new ATOM 0 HB3 ASP A 126 13.783 1.082 9.859 1.00 0.00 H new ATOM 1048 N LEU A 127 14.459 0.251 7.280 1.00 0.00 N ATOM 1049 CA LEU A 127 14.976 -0.926 6.596 1.00 0.00 C ATOM 1050 C LEU A 127 15.223 -0.554 5.127 1.00 0.00 C ATOM 1051 O LEU A 127 16.163 -1.029 4.482 1.00 0.00 O ATOM 1052 CB LEU A 127 13.938 -2.049 6.758 1.00 0.00 C ATOM 1053 CG LEU A 127 14.442 -3.496 6.688 1.00 0.00 C ATOM 1054 CD1 LEU A 127 13.234 -4.441 6.766 1.00 0.00 C ATOM 1055 CD2 LEU A 127 15.220 -3.749 5.402 1.00 0.00 C ATOM 0 H LEU A 127 13.475 0.184 7.539 1.00 0.00 H new ATOM 0 HA LEU A 127 15.922 -1.274 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 127 13.442 -1.912 7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 127 13.179 -1.920 5.986 1.00 0.00 H new ATOM 0 HG LEU A 127 15.118 -3.677 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 127 13.577 -5.475 6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 127 12.705 -4.278 7.705 1.00 0.00 H new ATOM 0 HD13 LEU A 127 12.562 -4.242 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 127 15.564 -4.783 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 127 14.574 -3.565 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 127 16.079 -3.080 5.359 1.00 0.00 H new ATOM 1067 N ALA A 128 14.376 0.326 4.593 1.00 0.00 N ATOM 1068 CA ALA A 128 14.486 0.812 3.240 1.00 0.00 C ATOM 1069 C ALA A 128 15.745 1.654 3.062 1.00 0.00 C ATOM 1070 O ALA A 128 16.471 1.431 2.100 1.00 0.00 O ATOM 1071 CB ALA A 128 13.223 1.593 2.875 1.00 0.00 C ATOM 0 H ALA A 128 13.587 0.720 5.105 1.00 0.00 H new ATOM 0 HA ALA A 128 14.575 -0.035 2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 128 13.305 1.961 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 128 12.355 0.939 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 128 13.107 2.436 3.556 1.00 0.00 H new ATOM 1077 N LEU A 129 16.024 2.578 3.984 1.00 0.00 N ATOM 1078 CA LEU A 129 17.234 3.391 4.002 1.00 0.00 C ATOM 1079 C LEU A 129 18.467 2.504 3.952 1.00 0.00 C ATOM 1080 O LEU A 129 19.335 2.736 3.109 1.00 0.00 O ATOM 1081 CB LEU A 129 17.243 4.331 5.218 1.00 0.00 C ATOM 1082 CG LEU A 129 16.571 5.685 4.895 1.00 0.00 C ATOM 1083 CD1 LEU A 129 15.347 5.955 5.767 1.00 0.00 C ATOM 1084 CD2 LEU A 129 17.568 6.828 5.071 1.00 0.00 C ATOM 0 H LEU A 129 15.394 2.784 4.759 1.00 0.00 H new ATOM 0 HA LEU A 129 17.249 4.022 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 129 16.724 3.856 6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 129 18.271 4.502 5.539 1.00 0.00 H new ATOM 0 HG LEU A 129 16.240 5.628 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 129 14.914 6.919 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 129 14.608 5.169 5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 129 15.644 5.970 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 129 17.080 7.775 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 129 17.924 6.845 6.101 1.00 0.00 H new ATOM 0 HD23 LEU A 129 18.412 6.681 4.398 1.00 0.00 H new ATOM 1096 N HIS A 130 18.545 1.462 4.783 1.00 0.00 N ATOM 1097 CA HIS A 130 19.611 0.475 4.641 1.00 0.00 C ATOM 1098 C HIS A 130 19.652 -0.071 3.207 1.00 0.00 C ATOM 1099 O HIS A 130 20.713 -0.114 2.592 1.00 0.00 O ATOM 1100 CB HIS A 130 19.448 -0.663 5.658 1.00 0.00 C ATOM 1101 CG HIS A 130 20.231 -1.891 5.255 1.00 0.00 C ATOM 1102 ND1 HIS A 130 21.554 -2.143 5.537 1.00 0.00 N ATOM 1103 CD2 HIS A 130 19.824 -2.809 4.322 1.00 0.00 C ATOM 1104 CE1 HIS A 130 21.933 -3.193 4.789 1.00 0.00 C ATOM 1105 NE2 HIS A 130 20.907 -3.648 4.050 1.00 0.00 N ATOM 0 H HIS A 130 17.894 1.284 5.548 1.00 0.00 H new ATOM 0 HA HIS A 130 20.561 0.969 4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 130 19.782 -0.325 6.639 1.00 0.00 H new ATOM 0 HB3 HIS A 130 18.393 -0.919 5.751 1.00 0.00 H new ATOM 0 HD2 HIS A 130 18.842 -2.872 3.877 1.00 0.00 H new ATOM 0 HE1 HIS A 130 22.927 -3.614 4.783 1.00 0.00 H new ATOM 0 HE2 HIS A 130 20.917 -4.447 3.416 1.00 0.00 H new ATOM 1113 N THR A 131 18.520 -0.536 2.678 1.00 0.00 N ATOM 1114 CA THR A 131 18.501 -1.272 1.417 1.00 0.00 C ATOM 1115 C THR A 131 18.935 -0.370 0.247 1.00 0.00 C ATOM 1116 O THR A 131 19.511 -0.846 -0.728 1.00 0.00 O ATOM 1117 CB THR A 131 17.111 -1.900 1.220 1.00 0.00 C ATOM 1118 OG1 THR A 131 16.727 -2.659 2.357 1.00 0.00 O ATOM 1119 CG2 THR A 131 17.073 -2.836 0.008 1.00 0.00 C ATOM 0 H THR A 131 17.602 -0.415 3.106 1.00 0.00 H new ATOM 0 HA THR A 131 19.227 -2.085 1.446 1.00 0.00 H new ATOM 0 HB THR A 131 16.424 -1.068 1.065 1.00 0.00 H new ATOM 0 HG1 THR A 131 16.501 -2.053 3.094 1.00 0.00 H new ATOM 0 HG21 THR A 131 16.073 -3.258 -0.095 1.00 0.00 H new ATOM 0 HG22 THR A 131 17.325 -2.276 -0.892 1.00 0.00 H new ATOM 0 HG23 THR A 131 17.794 -3.641 0.147 1.00 0.00 H new ATOM 1127 N TRP A 132 18.743 0.942 0.359 1.00 0.00 N ATOM 1128 CA TRP A 132 19.221 1.884 -0.664 1.00 0.00 C ATOM 1129 C TRP A 132 20.741 1.920 -0.713 1.00 0.00 C ATOM 1130 O TRP A 132 21.330 2.035 -1.791 1.00 0.00 O ATOM 1131 CB TRP A 132 18.672 3.297 -0.446 1.00 0.00 C ATOM 1132 CG TRP A 132 17.195 3.394 -0.624 1.00 0.00 C ATOM 1133 CD1 TRP A 132 16.324 3.898 0.274 1.00 0.00 C ATOM 1134 CD2 TRP A 132 16.392 2.945 -1.753 1.00 0.00 C ATOM 1135 NE1 TRP A 132 15.040 3.695 -0.173 1.00 0.00 N ATOM 1136 CE2 TRP A 132 15.020 3.120 -1.421 1.00 0.00 C ATOM 1137 CE3 TRP A 132 16.675 2.401 -3.024 1.00 0.00 C ATOM 1138 CZ2 TRP A 132 13.983 2.751 -2.287 1.00 0.00 C ATOM 1139 CZ3 TRP A 132 15.641 2.096 -3.928 1.00 0.00 C ATOM 1140 CH2 TRP A 132 14.297 2.276 -3.568 1.00 0.00 C ATOM 0 H TRP A 132 18.262 1.382 1.144 1.00 0.00 H new ATOM 0 HA TRP A 132 18.846 1.521 -1.621 1.00 0.00 H new ATOM 0 HB2 TRP A 132 18.932 3.628 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 132 19.160 3.979 -1.142 1.00 0.00 H new ATOM 0 HD1 TRP A 132 16.593 4.385 1.200 1.00 0.00 H new ATOM 0 HE1 TRP A 132 14.204 3.941 0.357 1.00 0.00 H new ATOM 0 HE3 TRP A 132 17.701 2.216 -3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 12.953 2.831 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 15.885 1.719 -4.910 1.00 0.00 H new ATOM 0 HH2 TRP A 132 13.510 2.050 -4.273 1.00 0.00 H new ATOM 1151 N GLU A 133 21.374 1.746 0.444 1.00 0.00 N ATOM 1152 CA GLU A 133 22.812 1.689 0.587 1.00 0.00 C ATOM 1153 C GLU A 133 23.392 0.447 -0.101 1.00 0.00 C ATOM 1154 O GLU A 133 24.586 0.429 -0.402 1.00 0.00 O ATOM 1155 CB GLU A 133 23.137 1.701 2.088 1.00 0.00 C ATOM 1156 CG GLU A 133 24.503 2.299 2.409 1.00 0.00 C ATOM 1157 CD GLU A 133 24.524 3.828 2.415 1.00 0.00 C ATOM 1158 OE1 GLU A 133 23.946 4.495 1.521 1.00 0.00 O ATOM 1159 OE2 GLU A 133 25.197 4.382 3.311 1.00 0.00 O ATOM 0 H GLU A 133 20.879 1.638 1.329 1.00 0.00 H new ATOM 0 HA GLU A 133 23.269 2.551 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 133 22.368 2.267 2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 133 23.097 0.680 2.469 1.00 0.00 H new ATOM 0 HG2 GLU A 133 24.827 1.937 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 133 25.227 1.938 1.679 1.00 0.00 H new ATOM 1166 N GLN A 134 22.564 -0.570 -0.371 1.00 0.00 N ATOM 1167 CA GLN A 134 22.940 -1.775 -1.101 1.00 0.00 C ATOM 1168 C GLN A 134 22.946 -1.538 -2.618 1.00 0.00 C ATOM 1169 O GLN A 134 23.523 -2.352 -3.338 1.00 0.00 O ATOM 1170 CB GLN A 134 21.965 -2.924 -0.780 1.00 0.00 C ATOM 1171 CG GLN A 134 21.750 -3.224 0.715 1.00 0.00 C ATOM 1172 CD GLN A 134 22.851 -4.114 1.274 1.00 0.00 C ATOM 1173 OE1 GLN A 134 22.849 -5.322 1.039 1.00 0.00 O ATOM 1174 NE2 GLN A 134 23.816 -3.586 2.002 1.00 0.00 N ATOM 0 H GLN A 134 21.587 -0.572 -0.077 1.00 0.00 H new ATOM 0 HA GLN A 134 23.948 -2.042 -0.784 1.00 0.00 H new ATOM 0 HB2 GLN A 134 20.999 -2.690 -1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 134 22.329 -3.830 -1.264 1.00 0.00 H new ATOM 0 HG2 GLN A 134 21.720 -2.288 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 134 20.784 -3.709 0.854 1.00 0.00 H new ATOM 0 HE21 GLN A 134 23.818 -2.585 2.197 1.00 0.00 H new ATOM 0 HE22 GLN A 134 24.560 -4.179 2.370 1.00 0.00 H new ATOM 1183 N MET A 135 22.301 -0.476 -3.124 1.00 0.00 N ATOM 1184 CA MET A 135 22.258 -0.136 -4.545 1.00 0.00 C ATOM 1185 C MET A 135 23.038 1.150 -4.857 1.00 0.00 C ATOM 1186 O MET A 135 23.266 1.471 -6.026 1.00 0.00 O ATOM 1187 CB MET A 135 20.794 0.035 -4.950 1.00 0.00 C ATOM 1188 CG MET A 135 19.994 -1.266 -5.029 1.00 0.00 C ATOM 1189 SD MET A 135 18.200 -1.039 -4.889 1.00 0.00 S ATOM 1190 CE MET A 135 17.933 0.400 -5.965 1.00 0.00 C ATOM 0 H MET A 135 21.785 0.182 -2.540 1.00 0.00 H new ATOM 0 HA MET A 135 22.730 -0.940 -5.110 1.00 0.00 H new ATOM 0 HB2 MET A 135 20.309 0.700 -4.235 1.00 0.00 H new ATOM 0 HB3 MET A 135 20.756 0.528 -5.921 1.00 0.00 H new ATOM 0 HG2 MET A 135 20.215 -1.759 -5.976 1.00 0.00 H new ATOM 0 HG3 MET A 135 20.328 -1.935 -4.236 1.00 0.00 H new ATOM 0 HE1 MET A 135 16.944 0.337 -6.418 1.00 0.00 H new ATOM 0 HE2 MET A 135 18.004 1.314 -5.375 1.00 0.00 H new ATOM 0 HE3 MET A 135 18.691 0.414 -6.748 1.00 0.00 H new ATOM 1200 N GLY A 136 23.448 1.906 -3.835 1.00 0.00 N ATOM 1201 CA GLY A 136 24.257 3.098 -4.016 1.00 0.00 C ATOM 1202 C GLY A 136 23.450 4.308 -4.487 1.00 0.00 C ATOM 1203 O GLY A 136 24.012 5.161 -5.178 1.00 0.00 O ATOM 0 H GLY A 136 23.224 1.702 -2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 136 24.749 3.342 -3.074 1.00 0.00 H new ATOM 0 HA3 GLY A 136 25.043 2.889 -4.742 1.00 0.00 H new ATOM 1207 N LEU A 137 22.153 4.417 -4.174 1.00 0.00 N ATOM 1208 CA LEU A 137 21.343 5.577 -4.559 1.00 0.00 C ATOM 1209 C LEU A 137 21.386 6.631 -3.454 1.00 0.00 C ATOM 1210 O LEU A 137 20.458 6.747 -2.648 1.00 0.00 O ATOM 1211 CB LEU A 137 19.889 5.195 -4.894 1.00 0.00 C ATOM 1212 CG LEU A 137 19.609 4.516 -6.247 1.00 0.00 C ATOM 1213 CD1 LEU A 137 20.045 5.354 -7.447 1.00 0.00 C ATOM 1214 CD2 LEU A 137 20.246 3.138 -6.345 1.00 0.00 C ATOM 0 H LEU A 137 21.639 3.708 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 137 21.774 5.991 -5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 137 19.529 4.531 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 137 19.287 6.102 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 137 18.524 4.413 -6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 137 19.819 4.816 -8.368 1.00 0.00 H new ATOM 0 HD12 LEU A 137 19.511 6.304 -7.441 1.00 0.00 H new ATOM 0 HD13 LEU A 137 21.117 5.541 -7.390 1.00 0.00 H new ATOM 0 HD21 LEU A 137 20.020 2.701 -7.317 1.00 0.00 H new ATOM 0 HD22 LEU A 137 21.326 3.227 -6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 137 19.849 2.497 -5.558 1.00 0.00 H new ATOM 1226 N ARG A 138 22.453 7.435 -3.434 1.00 0.00 N ATOM 1227 CA ARG A 138 22.645 8.459 -2.414 1.00 0.00 C ATOM 1228 C ARG A 138 21.463 9.405 -2.308 1.00 0.00 C ATOM 1229 O ARG A 138 21.057 9.680 -1.186 1.00 0.00 O ATOM 1230 CB ARG A 138 23.945 9.248 -2.639 1.00 0.00 C ATOM 1231 CG ARG A 138 25.046 8.767 -1.691 1.00 0.00 C ATOM 1232 CD ARG A 138 26.437 9.215 -2.159 1.00 0.00 C ATOM 1233 NE ARG A 138 26.695 10.647 -1.943 1.00 0.00 N ATOM 1234 CZ ARG A 138 27.693 11.335 -2.507 1.00 0.00 C ATOM 1235 NH1 ARG A 138 28.338 10.874 -3.574 1.00 0.00 N ATOM 1236 NH2 ARG A 138 28.084 12.495 -2.001 1.00 0.00 N ATOM 0 H ARG A 138 23.203 7.391 -4.124 1.00 0.00 H new ATOM 0 HA ARG A 138 22.724 7.928 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 138 24.272 9.131 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 138 23.762 10.311 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 138 24.858 9.153 -0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 138 25.018 7.679 -1.624 1.00 0.00 H new ATOM 0 HD2 ARG A 138 27.194 8.634 -1.632 1.00 0.00 H new ATOM 0 HD3 ARG A 138 26.545 8.990 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 138 26.067 11.152 -1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 138 28.075 9.976 -3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 138 29.096 11.418 -3.986 1.00 0.00 H new ATOM 0 HH21 ARG A 138 27.623 12.872 -1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 138 28.847 13.012 -2.439 1.00 0.00 H new ATOM 1250 N SER A 139 20.908 9.906 -3.415 1.00 0.00 N ATOM 1251 CA SER A 139 19.830 10.890 -3.328 1.00 0.00 C ATOM 1252 C SER A 139 18.591 10.316 -2.635 1.00 0.00 C ATOM 1253 O SER A 139 17.855 11.074 -2.006 1.00 0.00 O ATOM 1254 CB SER A 139 19.486 11.481 -4.700 1.00 0.00 C ATOM 1255 OG SER A 139 19.283 10.486 -5.695 1.00 0.00 O ATOM 0 H SER A 139 21.182 9.652 -4.364 1.00 0.00 H new ATOM 0 HA SER A 139 20.196 11.708 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 139 18.586 12.090 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 139 20.290 12.145 -5.016 1.00 0.00 H new ATOM 0 HG SER A 139 19.065 10.916 -6.548 1.00 0.00 H new ATOM 1261 N LEU A 140 18.365 8.997 -2.708 1.00 0.00 N ATOM 1262 CA LEU A 140 17.253 8.362 -2.018 1.00 0.00 C ATOM 1263 C LEU A 140 17.495 8.416 -0.513 1.00 0.00 C ATOM 1264 O LEU A 140 16.654 8.949 0.209 1.00 0.00 O ATOM 1265 CB LEU A 140 17.032 6.918 -2.500 1.00 0.00 C ATOM 1266 CG LEU A 140 16.565 6.772 -3.965 1.00 0.00 C ATOM 1267 CD1 LEU A 140 16.209 5.313 -4.215 1.00 0.00 C ATOM 1268 CD2 LEU A 140 15.362 7.664 -4.298 1.00 0.00 C ATOM 0 H LEU A 140 18.946 8.353 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 140 16.340 8.909 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU A 140 17.963 6.365 -2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 140 16.293 6.446 -1.852 1.00 0.00 H new ATOM 0 HG LEU A 140 17.381 7.094 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 140 15.877 5.191 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 140 17.086 4.689 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 140 15.409 5.012 -3.538 1.00 0.00 H new ATOM 0 HD21 LEU A 140 15.079 7.519 -5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 140 14.523 7.399 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 140 15.628 8.709 -4.137 1.00 0.00 H new ATOM 1280 N CYS A 141 18.636 7.904 -0.038 1.00 0.00 N ATOM 1281 CA CYS A 141 18.998 7.968 1.377 1.00 0.00 C ATOM 1282 C CYS A 141 19.016 9.406 1.888 1.00 0.00 C ATOM 1283 O CYS A 141 18.542 9.667 2.993 1.00 0.00 O ATOM 1284 CB CYS A 141 20.377 7.337 1.613 1.00 0.00 C ATOM 1285 SG CYS A 141 20.165 5.715 2.384 1.00 0.00 S ATOM 0 H CYS A 141 19.329 7.437 -0.622 1.00 0.00 H new ATOM 0 HA CYS A 141 18.239 7.410 1.926 1.00 0.00 H new ATOM 0 HB2 CYS A 141 20.911 7.237 0.668 1.00 0.00 H new ATOM 0 HB3 CYS A 141 20.980 7.981 2.253 1.00 0.00 H new ATOM 0 HG CYS A 141 21.330 5.174 2.584 1.00 0.00 H new ATOM 1291 N ALA A 142 19.610 10.309 1.111 1.00 0.00 N ATOM 1292 CA ALA A 142 19.795 11.703 1.448 1.00 0.00 C ATOM 1293 C ALA A 142 18.431 12.368 1.613 1.00 0.00 C ATOM 1294 O ALA A 142 18.116 12.783 2.724 1.00 0.00 O ATOM 1295 CB ALA A 142 20.676 12.364 0.387 1.00 0.00 C ATOM 0 H ALA A 142 19.988 10.071 0.194 1.00 0.00 H new ATOM 0 HA ALA A 142 20.313 11.815 2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 142 20.819 13.415 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 142 21.644 11.864 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 142 20.194 12.284 -0.587 1.00 0.00 H new ATOM 1301 N GLN A 143 17.575 12.411 0.582 1.00 0.00 N ATOM 1302 CA GLN A 143 16.258 13.036 0.724 1.00 0.00 C ATOM 1303 C GLN A 143 15.469 12.406 1.873 1.00 0.00 C ATOM 1304 O GLN A 143 14.823 13.132 2.632 1.00 0.00 O ATOM 1305 CB GLN A 143 15.430 12.966 -0.561 1.00 0.00 C ATOM 1306 CG GLN A 143 15.899 13.960 -1.630 1.00 0.00 C ATOM 1307 CD GLN A 143 14.887 14.108 -2.768 1.00 0.00 C ATOM 1308 OE1 GLN A 143 13.824 13.486 -2.800 1.00 0.00 O ATOM 1309 NE2 GLN A 143 15.180 14.962 -3.728 1.00 0.00 N ATOM 0 H GLN A 143 17.768 12.027 -0.343 1.00 0.00 H new ATOM 0 HA GLN A 143 16.445 14.087 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 143 15.481 11.955 -0.965 1.00 0.00 H new ATOM 0 HB3 GLN A 143 14.384 13.162 -0.324 1.00 0.00 H new ATOM 0 HG2 GLN A 143 16.069 14.933 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 143 16.854 13.629 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 143 16.060 15.477 -3.701 1.00 0.00 H new ATOM 0 HE22 GLN A 143 14.527 15.108 -4.498 1.00 0.00 H new ATOM 1318 N ALA A 144 15.573 11.086 2.055 1.00 0.00 N ATOM 1319 CA ALA A 144 14.946 10.351 3.145 1.00 0.00 C ATOM 1320 C ALA A 144 15.517 10.688 4.542 1.00 0.00 C ATOM 1321 O ALA A 144 15.120 10.031 5.502 1.00 0.00 O ATOM 1322 CB ALA A 144 15.053 8.849 2.851 1.00 0.00 C ATOM 0 H ALA A 144 16.111 10.488 1.428 1.00 0.00 H new ATOM 0 HA ALA A 144 13.901 10.659 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 144 14.587 8.286 3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 144 14.545 8.625 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 144 16.103 8.568 2.771 1.00 0.00 H new ATOM 1328 N GLN A 145 16.418 11.670 4.688 1.00 0.00 N ATOM 1329 CA GLN A 145 16.985 12.154 5.954 1.00 0.00 C ATOM 1330 C GLN A 145 17.102 13.685 5.991 1.00 0.00 C ATOM 1331 O GLN A 145 17.229 14.260 7.069 1.00 0.00 O ATOM 1332 CB GLN A 145 18.381 11.542 6.160 1.00 0.00 C ATOM 1333 CG GLN A 145 18.292 10.065 6.555 1.00 0.00 C ATOM 1334 CD GLN A 145 19.641 9.368 6.477 1.00 0.00 C ATOM 1335 OE1 GLN A 145 20.350 9.228 7.462 1.00 0.00 O ATOM 1336 NE2 GLN A 145 20.051 8.944 5.295 1.00 0.00 N ATOM 0 H GLN A 145 16.790 12.174 3.883 1.00 0.00 H new ATOM 0 HA GLN A 145 16.308 11.849 6.751 1.00 0.00 H new ATOM 0 HB2 GLN A 145 18.962 11.640 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 145 18.912 12.096 6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 145 17.901 9.985 7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 145 17.584 9.557 5.900 1.00 0.00 H new ATOM 0 HE21 GLN A 145 19.455 9.063 4.476 1.00 0.00 H new ATOM 0 HE22 GLN A 145 20.963 8.497 5.202 1.00 0.00 H new