USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 590 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 35 MET CE :methyl 166:sc= -0.364 (180deg=-1) USER MOD Set 1.2: A 50 MET CE :methyl -122:sc= -0.173 (180deg=-0.259) USER MOD Set 2.1: A 12 LYS NZ :NH3+ -139:sc= -2.43! (180deg=-1.25!) USER MOD Set 2.2: A 64 TYR OH : rot 180:sc= -2.27! USER MOD Single : A 16 LYS NZ :NH3+ -160:sc= -0.0577 (180deg=-0.569) USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.0422 (180deg=-0.481) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 23 ASN : amide:sc= -0.947 K(o=-0.95,f=-12!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-1.9) USER MOD Single : A 37 ASN : amide:sc= -0.092 K(o=-0.092,f=-2.4!) USER MOD Single : A 41 LYS NZ :NH3+ 162:sc= -0.0577 (180deg=-0.565) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00552 USER MOD Single : A 49 GLN : amide:sc= -1.52 K(o=-1.5,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ -123:sc= -1.1 (180deg=-3.18!) USER MOD Single : A 61 GLN : amide:sc= -5.82! C(o=-5.8!,f=-6.2!) USER MOD Single : A 63 ASN : amide:sc= -0.256 K(o=-0.26,f=-3.7!) USER MOD Single : A 69 LYS NZ :NH3+ 161:sc= -3.26! (180deg=-3.35!) USER MOD Single : A 70 MET CE :methyl 175:sc= 0 (180deg=-0.00884) USER MOD Single : A 71 MET CE :methyl -123:sc= -1.01 (180deg=-2.63!) USER MOD Single : A 72 MET CE :methyl -153:sc= -0.0251 (180deg=-0.05) USER MOD Single : A 73 THR OG1 : rot 79:sc= 0.28 USER MOD Single : A 81 ASN : amide:sc= -0.0563 K(o=-0.056,f=-1.4!) USER MOD Single : A 84 SER OG : rot -23:sc= 0.346 USER MOD ----------------------------------------------------------------- ATOM 107 N GLU A 9 13.764 -1.957 -3.595 1.00 0.00 N ATOM 108 CA GLU A 9 13.599 -1.033 -4.711 1.00 0.00 C ATOM 109 C GLU A 9 12.116 -0.813 -4.996 1.00 0.00 C ATOM 110 O GLU A 9 11.669 0.320 -5.162 1.00 0.00 O ATOM 111 CB GLU A 9 14.288 -1.598 -5.956 1.00 0.00 C ATOM 112 CG GLU A 9 14.227 -0.569 -7.084 1.00 0.00 C ATOM 113 CD GLU A 9 14.991 -1.079 -8.300 1.00 0.00 C ATOM 114 OE1 GLU A 9 15.356 -2.241 -8.301 1.00 0.00 O ATOM 115 OE2 GLU A 9 15.207 -0.295 -9.211 1.00 0.00 O ATOM 0 HA GLU A 9 14.054 -0.077 -4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.325 -1.844 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.801 -2.523 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.189 -0.374 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.653 0.376 -6.748 1.00 0.00 H new ATOM 122 N GLU A 10 11.361 -1.903 -5.048 1.00 0.00 N ATOM 123 CA GLU A 10 9.931 -1.813 -5.312 1.00 0.00 C ATOM 124 C GLU A 10 9.258 -0.927 -4.269 1.00 0.00 C ATOM 125 O GLU A 10 8.472 -0.047 -4.608 1.00 0.00 O ATOM 126 CB GLU A 10 9.302 -3.211 -5.270 1.00 0.00 C ATOM 127 CG GLU A 10 7.800 -3.115 -5.565 1.00 0.00 C ATOM 128 CD GLU A 10 7.173 -4.500 -5.529 1.00 0.00 C ATOM 129 OE1 GLU A 10 7.563 -5.328 -6.335 1.00 0.00 O ATOM 130 OE2 GLU A 10 6.306 -4.711 -4.695 1.00 0.00 O ATOM 0 H GLU A 10 11.711 -2.851 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 10 9.787 -1.378 -6.301 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.785 -3.859 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.461 -3.662 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.318 -2.469 -4.831 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.641 -2.660 -6.543 1.00 0.00 H new ATOM 137 N LEU A 11 9.567 -1.162 -3.002 1.00 0.00 N ATOM 138 CA LEU A 11 8.973 -0.379 -1.937 1.00 0.00 C ATOM 139 C LEU A 11 9.168 1.110 -2.193 1.00 0.00 C ATOM 140 O LEU A 11 8.219 1.892 -2.108 1.00 0.00 O ATOM 141 CB LEU A 11 9.627 -0.770 -0.585 1.00 0.00 C ATOM 142 CG LEU A 11 8.562 -0.871 0.504 1.00 0.00 C ATOM 143 CD1 LEU A 11 9.196 -1.370 1.798 1.00 0.00 C ATOM 144 CD2 LEU A 11 7.931 0.510 0.734 1.00 0.00 C ATOM 0 H LEU A 11 10.219 -1.882 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 11 7.903 -0.585 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.147 -1.723 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.374 -0.027 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 11 7.789 -1.573 0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.433 -1.441 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.637 -2.353 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.972 -0.673 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.171 0.438 1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.702 1.215 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.472 0.859 -0.191 1.00 0.00 H new ATOM 156 N LYS A 12 10.400 1.496 -2.497 1.00 0.00 N ATOM 157 CA LYS A 12 10.689 2.900 -2.754 1.00 0.00 C ATOM 158 C LYS A 12 9.991 3.376 -4.018 1.00 0.00 C ATOM 159 O LYS A 12 9.295 4.391 -4.009 1.00 0.00 O ATOM 160 CB LYS A 12 12.211 3.089 -2.897 1.00 0.00 C ATOM 161 CG LYS A 12 12.870 3.152 -1.506 1.00 0.00 C ATOM 162 CD LYS A 12 12.865 4.601 -1.004 1.00 0.00 C ATOM 163 CE LYS A 12 13.309 4.636 0.452 1.00 0.00 C ATOM 164 NZ LYS A 12 12.428 3.746 1.258 1.00 0.00 N ATOM 0 H LYS A 12 11.202 0.870 -2.571 1.00 0.00 H new ATOM 0 HA LYS A 12 10.319 3.492 -1.917 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.635 2.266 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.421 4.005 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.332 2.512 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.892 2.777 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.532 5.210 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.866 5.027 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 12 14.346 4.312 0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.262 5.656 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.207 4.205 2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.546 3.566 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.915 2.844 1.436 1.00 0.00 H new ATOM 178 N GLU A 13 10.181 2.640 -5.105 1.00 0.00 N ATOM 179 CA GLU A 13 9.563 3.009 -6.372 1.00 0.00 C ATOM 180 C GLU A 13 8.048 3.107 -6.218 1.00 0.00 C ATOM 181 O GLU A 13 7.435 4.126 -6.556 1.00 0.00 O ATOM 182 CB GLU A 13 9.911 1.962 -7.440 1.00 0.00 C ATOM 183 CG GLU A 13 11.373 2.120 -7.868 1.00 0.00 C ATOM 184 CD GLU A 13 11.729 1.061 -8.906 1.00 0.00 C ATOM 185 OE1 GLU A 13 10.854 0.286 -9.258 1.00 0.00 O ATOM 186 OE2 GLU A 13 12.872 1.040 -9.333 1.00 0.00 O ATOM 0 H GLU A 13 10.751 1.794 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 13 9.945 3.982 -6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.745 0.959 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.256 2.079 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.534 3.115 -8.282 1.00 0.00 H new ATOM 0 HG3 GLU A 13 12.027 2.026 -7.001 1.00 0.00 H new ATOM 193 N ALA A 14 7.450 2.047 -5.690 1.00 0.00 N ATOM 194 CA ALA A 14 6.010 2.024 -5.489 1.00 0.00 C ATOM 195 C ALA A 14 5.586 3.193 -4.608 1.00 0.00 C ATOM 196 O ALA A 14 4.641 3.911 -4.927 1.00 0.00 O ATOM 197 CB ALA A 14 5.592 0.703 -4.834 1.00 0.00 C ATOM 0 H ALA A 14 7.936 1.200 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 14 5.519 2.112 -6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.512 0.695 -4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.877 -0.129 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.090 0.602 -3.870 1.00 0.00 H new ATOM 203 N PHE A 15 6.289 3.382 -3.499 1.00 0.00 N ATOM 204 CA PHE A 15 5.962 4.466 -2.578 1.00 0.00 C ATOM 205 C PHE A 15 5.898 5.794 -3.325 1.00 0.00 C ATOM 206 O PHE A 15 4.989 6.594 -3.105 1.00 0.00 O ATOM 207 CB PHE A 15 7.023 4.548 -1.479 1.00 0.00 C ATOM 208 CG PHE A 15 6.732 5.731 -0.581 1.00 0.00 C ATOM 209 CD1 PHE A 15 5.612 5.709 0.262 1.00 0.00 C ATOM 210 CD2 PHE A 15 7.576 6.849 -0.593 1.00 0.00 C ATOM 211 CE1 PHE A 15 5.339 6.805 1.092 1.00 0.00 C ATOM 212 CE2 PHE A 15 7.302 7.942 0.238 1.00 0.00 C ATOM 213 CZ PHE A 15 6.185 7.920 1.080 1.00 0.00 C ATOM 0 H PHE A 15 7.082 2.806 -3.216 1.00 0.00 H new ATOM 0 HA PHE A 15 4.989 4.264 -2.131 1.00 0.00 H new ATOM 0 HB2 PHE A 15 7.028 3.628 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.014 4.650 -1.922 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.960 4.848 0.272 1.00 0.00 H new ATOM 0 HD2 PHE A 15 8.438 6.868 -1.243 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.476 6.789 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 15 7.954 8.803 0.229 1.00 0.00 H new ATOM 0 HZ PHE A 15 5.975 8.764 1.721 1.00 0.00 H new ATOM 223 N LYS A 16 6.865 6.022 -4.204 1.00 0.00 N ATOM 224 CA LYS A 16 6.905 7.256 -4.978 1.00 0.00 C ATOM 225 C LYS A 16 5.670 7.375 -5.863 1.00 0.00 C ATOM 226 O LYS A 16 5.149 8.473 -6.076 1.00 0.00 O ATOM 227 CB LYS A 16 8.160 7.284 -5.851 1.00 0.00 C ATOM 228 CG LYS A 16 8.258 8.635 -6.564 1.00 0.00 C ATOM 229 CD LYS A 16 9.546 8.688 -7.383 1.00 0.00 C ATOM 230 CE LYS A 16 9.659 10.050 -8.072 1.00 0.00 C ATOM 231 NZ LYS A 16 8.505 10.237 -8.995 1.00 0.00 N ATOM 0 H LYS A 16 7.628 5.373 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 16 6.924 8.096 -4.284 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.046 7.120 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.125 6.477 -6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.395 8.778 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.245 9.445 -5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.408 8.524 -6.736 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.549 7.891 -8.127 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.675 10.846 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.596 10.113 -8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.737 10.969 -9.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.302 9.341 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.669 10.532 -8.451 1.00 0.00 H new ATOM 245 N VAL A 17 5.199 6.239 -6.366 1.00 0.00 N ATOM 246 CA VAL A 17 4.008 6.230 -7.217 1.00 0.00 C ATOM 247 C VAL A 17 2.762 6.600 -6.412 1.00 0.00 C ATOM 248 O VAL A 17 1.913 7.364 -6.873 1.00 0.00 O ATOM 249 CB VAL A 17 3.829 4.856 -7.862 1.00 0.00 C ATOM 250 CG1 VAL A 17 2.517 4.821 -8.648 1.00 0.00 C ATOM 251 CG2 VAL A 17 5.002 4.590 -8.806 1.00 0.00 C ATOM 0 H VAL A 17 5.615 5.322 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 17 4.144 6.974 -8.002 1.00 0.00 H new ATOM 0 HB VAL A 17 3.800 4.089 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.393 3.840 -9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.683 5.014 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.538 5.584 -9.426 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.881 3.611 -9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.028 5.357 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.935 4.612 -8.242 1.00 0.00 H new ATOM 261 N PHE A 18 2.659 6.049 -5.207 1.00 0.00 N ATOM 262 CA PHE A 18 1.516 6.326 -4.346 1.00 0.00 C ATOM 263 C PHE A 18 1.502 7.794 -3.926 1.00 0.00 C ATOM 264 O PHE A 18 0.453 8.440 -3.929 1.00 0.00 O ATOM 265 CB PHE A 18 1.566 5.424 -3.102 1.00 0.00 C ATOM 266 CG PHE A 18 0.957 4.078 -3.413 1.00 0.00 C ATOM 267 CD1 PHE A 18 -0.434 3.930 -3.394 1.00 0.00 C ATOM 268 CD2 PHE A 18 1.772 2.988 -3.723 1.00 0.00 C ATOM 269 CE1 PHE A 18 -1.008 2.689 -3.683 1.00 0.00 C ATOM 270 CE2 PHE A 18 1.201 1.748 -4.016 1.00 0.00 C ATOM 271 CZ PHE A 18 -0.190 1.597 -3.995 1.00 0.00 C ATOM 0 H PHE A 18 3.348 5.412 -4.807 1.00 0.00 H new ATOM 0 HA PHE A 18 0.603 6.117 -4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.598 5.298 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.027 5.895 -2.280 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.064 4.774 -3.156 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.846 3.104 -3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.082 2.573 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.832 0.906 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.632 0.638 -4.220 1.00 0.00 H new ATOM 281 N ASP A 19 2.669 8.309 -3.558 1.00 0.00 N ATOM 282 CA ASP A 19 2.775 9.696 -3.127 1.00 0.00 C ATOM 283 C ASP A 19 2.765 10.628 -4.334 1.00 0.00 C ATOM 284 O ASP A 19 3.715 11.373 -4.563 1.00 0.00 O ATOM 285 CB ASP A 19 4.065 9.898 -2.333 1.00 0.00 C ATOM 286 CG ASP A 19 4.020 11.231 -1.600 1.00 0.00 C ATOM 287 OD1 ASP A 19 3.119 12.007 -1.872 1.00 0.00 O ATOM 288 OD2 ASP A 19 4.892 11.461 -0.778 1.00 0.00 O ATOM 0 H ASP A 19 3.548 7.792 -3.549 1.00 0.00 H new ATOM 0 HA ASP A 19 1.920 9.930 -2.492 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.194 9.085 -1.619 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.923 9.871 -3.004 1.00 0.00 H new ATOM 293 N LYS A 20 1.688 10.570 -5.107 1.00 0.00 N ATOM 294 CA LYS A 20 1.574 11.402 -6.298 1.00 0.00 C ATOM 295 C LYS A 20 1.760 12.872 -5.941 1.00 0.00 C ATOM 296 O LYS A 20 2.469 13.600 -6.633 1.00 0.00 O ATOM 297 CB LYS A 20 0.190 11.212 -6.934 1.00 0.00 C ATOM 298 CG LYS A 20 0.085 9.811 -7.535 1.00 0.00 C ATOM 299 CD LYS A 20 -1.308 9.615 -8.139 1.00 0.00 C ATOM 300 CE LYS A 20 -1.443 8.180 -8.656 1.00 0.00 C ATOM 301 NZ LYS A 20 -0.435 7.938 -9.725 1.00 0.00 N ATOM 0 H LYS A 20 0.888 9.962 -4.933 1.00 0.00 H new ATOM 0 HA LYS A 20 2.350 11.104 -7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.588 11.355 -6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.029 11.963 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.847 9.675 -8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.268 9.060 -6.767 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.073 9.816 -7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.466 10.323 -8.953 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.298 7.473 -7.839 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.448 8.016 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.701 7.092 -10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.399 8.760 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.500 7.792 -9.294 1.00 0.00 H new ATOM 315 N ASP A 21 1.122 13.299 -4.859 1.00 0.00 N ATOM 316 CA ASP A 21 1.225 14.689 -4.425 1.00 0.00 C ATOM 317 C ASP A 21 2.636 14.993 -3.945 1.00 0.00 C ATOM 318 O ASP A 21 3.065 16.146 -3.956 1.00 0.00 O ATOM 319 CB ASP A 21 0.235 14.962 -3.291 1.00 0.00 C ATOM 320 CG ASP A 21 -1.082 14.259 -3.577 1.00 0.00 C ATOM 321 OD1 ASP A 21 -1.775 14.681 -4.489 1.00 0.00 O ATOM 322 OD2 ASP A 21 -1.373 13.299 -2.880 1.00 0.00 O ATOM 0 H ASP A 21 0.533 12.711 -4.270 1.00 0.00 H new ATOM 0 HA ASP A 21 0.990 15.331 -5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.647 14.612 -2.344 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.071 16.035 -3.190 1.00 0.00 H new ATOM 327 N GLN A 22 3.346 13.951 -3.512 1.00 0.00 N ATOM 328 CA GLN A 22 4.714 14.113 -3.017 1.00 0.00 C ATOM 329 C GLN A 22 4.708 14.811 -1.657 1.00 0.00 C ATOM 330 O GLN A 22 5.571 15.636 -1.370 1.00 0.00 O ATOM 331 CB GLN A 22 5.543 14.936 -4.014 1.00 0.00 C ATOM 332 CG GLN A 22 7.034 14.683 -3.781 1.00 0.00 C ATOM 333 CD GLN A 22 7.856 15.474 -4.788 1.00 0.00 C ATOM 334 OE1 GLN A 22 7.359 15.821 -5.859 1.00 0.00 O ATOM 335 NE2 GLN A 22 9.087 15.787 -4.501 1.00 0.00 N ATOM 0 H GLN A 22 3.000 12.992 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 22 5.161 13.125 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.274 14.666 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.322 15.997 -3.896 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.307 14.974 -2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.251 13.619 -3.877 1.00 0.00 H new ATOM 0 HE21 GLN A 22 9.493 15.496 -3.612 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.645 16.323 -5.166 1.00 0.00 H new ATOM 344 N ASN A 23 3.729 14.475 -0.828 1.00 0.00 N ATOM 345 CA ASN A 23 3.615 15.079 0.503 1.00 0.00 C ATOM 346 C ASN A 23 4.074 14.095 1.573 1.00 0.00 C ATOM 347 O ASN A 23 3.949 14.360 2.767 1.00 0.00 O ATOM 348 CB ASN A 23 2.167 15.490 0.769 1.00 0.00 C ATOM 349 CG ASN A 23 1.275 14.256 0.826 1.00 0.00 C ATOM 350 OD1 ASN A 23 1.749 13.135 0.641 1.00 0.00 O ATOM 351 ND2 ASN A 23 0.002 14.397 1.076 1.00 0.00 N ATOM 0 H ASN A 23 3.004 13.792 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 23 4.252 15.963 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.103 16.038 1.709 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.821 16.162 -0.016 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.603 13.577 1.119 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.388 15.327 1.229 1.00 0.00 H new ATOM 358 N GLY A 24 4.608 12.959 1.135 1.00 0.00 N ATOM 359 CA GLY A 24 5.086 11.944 2.066 1.00 0.00 C ATOM 360 C GLY A 24 3.921 11.277 2.786 1.00 0.00 C ATOM 361 O GLY A 24 4.093 10.694 3.854 1.00 0.00 O ATOM 0 H GLY A 24 4.720 12.720 0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.664 11.193 1.527 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.757 12.400 2.795 1.00 0.00 H new ATOM 365 N TYR A 25 2.733 11.370 2.198 1.00 0.00 N ATOM 366 CA TYR A 25 1.540 10.772 2.795 1.00 0.00 C ATOM 367 C TYR A 25 0.617 10.237 1.713 1.00 0.00 C ATOM 368 O TYR A 25 0.505 10.824 0.643 1.00 0.00 O ATOM 369 CB TYR A 25 0.799 11.816 3.629 1.00 0.00 C ATOM 370 CG TYR A 25 1.730 12.363 4.687 1.00 0.00 C ATOM 371 CD1 TYR A 25 2.212 11.517 5.694 1.00 0.00 C ATOM 372 CD2 TYR A 25 2.107 13.711 4.666 1.00 0.00 C ATOM 373 CE1 TYR A 25 3.073 12.020 6.678 1.00 0.00 C ATOM 374 CE2 TYR A 25 2.966 14.213 5.649 1.00 0.00 C ATOM 375 CZ TYR A 25 3.450 13.369 6.655 1.00 0.00 C ATOM 376 OH TYR A 25 4.297 13.865 7.623 1.00 0.00 O ATOM 0 H TYR A 25 2.569 11.851 1.313 1.00 0.00 H new ATOM 0 HA TYR A 25 1.848 9.946 3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.443 12.623 2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.078 11.369 4.096 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.920 10.477 5.712 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.734 14.364 3.890 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.446 11.368 7.454 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.256 15.253 5.632 1.00 0.00 H new ATOM 0 HH TYR A 25 4.458 14.818 7.460 1.00 0.00 H new ATOM 386 N ILE A 26 -0.040 9.115 1.998 1.00 0.00 N ATOM 387 CA ILE A 26 -0.956 8.498 1.033 1.00 0.00 C ATOM 388 C ILE A 26 -2.386 8.598 1.534 1.00 0.00 C ATOM 389 O ILE A 26 -2.657 8.359 2.708 1.00 0.00 O ATOM 390 CB ILE A 26 -0.588 7.035 0.829 1.00 0.00 C ATOM 391 CG1 ILE A 26 0.886 6.936 0.429 1.00 0.00 C ATOM 392 CG2 ILE A 26 -1.455 6.445 -0.287 1.00 0.00 C ATOM 393 CD1 ILE A 26 1.313 5.467 0.422 1.00 0.00 C ATOM 0 H ILE A 26 0.042 8.615 2.883 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.872 9.026 0.083 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.756 6.483 1.754 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.037 7.375 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.503 7.502 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.194 5.397 -0.435 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.506 6.521 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.283 6.996 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.363 5.395 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.177 5.044 1.417 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.704 4.914 -0.294 1.00 0.00 H new ATOM 405 N SER A 27 -3.300 8.964 0.637 1.00 0.00 N ATOM 406 CA SER A 27 -4.715 9.102 0.993 1.00 0.00 C ATOM 407 C SER A 27 -5.574 8.215 0.105 1.00 0.00 C ATOM 408 O SER A 27 -5.183 7.869 -1.011 1.00 0.00 O ATOM 409 CB SER A 27 -5.152 10.558 0.830 1.00 0.00 C ATOM 410 OG SER A 27 -4.475 11.360 1.790 1.00 0.00 O ATOM 0 H SER A 27 -3.089 9.170 -0.339 1.00 0.00 H new ATOM 0 HA SER A 27 -4.843 8.796 2.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.926 10.907 -0.178 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.231 10.644 0.963 1.00 0.00 H new ATOM 0 HG SER A 27 -4.751 12.295 1.688 1.00 0.00 H new ATOM 416 N ALA A 28 -6.745 7.843 0.611 1.00 0.00 N ATOM 417 CA ALA A 28 -7.660 6.987 -0.139 1.00 0.00 C ATOM 418 C ALA A 28 -7.695 7.397 -1.608 1.00 0.00 C ATOM 419 O ALA A 28 -7.724 6.548 -2.499 1.00 0.00 O ATOM 420 CB ALA A 28 -9.070 7.091 0.449 1.00 0.00 C ATOM 0 H ALA A 28 -7.083 8.119 1.533 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.307 5.958 -0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.748 6.450 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.054 6.773 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.414 8.124 0.390 1.00 0.00 H new ATOM 426 N SER A 29 -7.693 8.705 -1.854 1.00 0.00 N ATOM 427 CA SER A 29 -7.732 9.208 -3.222 1.00 0.00 C ATOM 428 C SER A 29 -6.549 8.674 -4.026 1.00 0.00 C ATOM 429 O SER A 29 -6.720 8.156 -5.129 1.00 0.00 O ATOM 430 CB SER A 29 -7.682 10.738 -3.208 1.00 0.00 C ATOM 431 OG SER A 29 -8.820 11.240 -2.523 1.00 0.00 O ATOM 0 H SER A 29 -7.665 9.426 -1.133 1.00 0.00 H new ATOM 0 HA SER A 29 -8.657 8.870 -3.689 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.770 11.079 -2.719 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.659 11.122 -4.228 1.00 0.00 H new ATOM 0 HG SER A 29 -8.789 12.219 -2.511 1.00 0.00 H new ATOM 437 N GLU A 30 -5.354 8.793 -3.462 1.00 0.00 N ATOM 438 CA GLU A 30 -4.157 8.309 -4.140 1.00 0.00 C ATOM 439 C GLU A 30 -4.179 6.790 -4.256 1.00 0.00 C ATOM 440 O GLU A 30 -3.843 6.224 -5.300 1.00 0.00 O ATOM 441 CB GLU A 30 -2.909 8.745 -3.366 1.00 0.00 C ATOM 442 CG GLU A 30 -2.750 10.262 -3.460 1.00 0.00 C ATOM 443 CD GLU A 30 -1.509 10.700 -2.700 1.00 0.00 C ATOM 444 OE1 GLU A 30 -1.623 10.937 -1.510 1.00 0.00 O ATOM 445 OE2 GLU A 30 -0.462 10.792 -3.321 1.00 0.00 O ATOM 0 H GLU A 30 -5.188 9.215 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.134 8.736 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.992 8.442 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.026 8.251 -3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.673 10.564 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.631 10.755 -3.050 1.00 0.00 H new ATOM 452 N LEU A 31 -4.574 6.130 -3.175 1.00 0.00 N ATOM 453 CA LEU A 31 -4.617 4.678 -3.167 1.00 0.00 C ATOM 454 C LEU A 31 -5.611 4.169 -4.212 1.00 0.00 C ATOM 455 O LEU A 31 -5.309 3.259 -4.992 1.00 0.00 O ATOM 456 CB LEU A 31 -5.028 4.184 -1.762 1.00 0.00 C ATOM 457 CG LEU A 31 -4.454 2.780 -1.511 1.00 0.00 C ATOM 458 CD1 LEU A 31 -4.772 2.345 -0.084 1.00 0.00 C ATOM 459 CD2 LEU A 31 -5.046 1.776 -2.512 1.00 0.00 C ATOM 0 H LEU A 31 -4.865 6.572 -2.303 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.628 4.291 -3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.664 4.876 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.115 4.162 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.373 2.808 -1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.364 1.350 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.327 3.049 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.853 2.325 0.058 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.631 0.786 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.129 1.743 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.798 2.085 -3.527 1.00 0.00 H new ATOM 471 N ARG A 32 -6.797 4.760 -4.223 1.00 0.00 N ATOM 472 CA ARG A 32 -7.816 4.353 -5.170 1.00 0.00 C ATOM 473 C ARG A 32 -7.335 4.580 -6.595 1.00 0.00 C ATOM 474 O ARG A 32 -7.480 3.713 -7.446 1.00 0.00 O ATOM 475 CB ARG A 32 -9.097 5.164 -4.942 1.00 0.00 C ATOM 476 CG ARG A 32 -10.204 4.647 -5.862 1.00 0.00 C ATOM 477 CD ARG A 32 -11.442 5.532 -5.723 1.00 0.00 C ATOM 478 NE ARG A 32 -12.588 4.917 -6.382 1.00 0.00 N ATOM 479 CZ ARG A 32 -13.684 5.621 -6.654 1.00 0.00 C ATOM 480 NH1 ARG A 32 -13.748 6.884 -6.333 1.00 0.00 N ATOM 481 NH2 ARG A 32 -14.697 5.045 -7.240 1.00 0.00 N ATOM 0 H ARG A 32 -7.072 5.514 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.019 3.293 -5.021 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.409 5.084 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.911 6.220 -5.139 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -9.860 4.646 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.451 3.616 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -11.665 5.692 -4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.247 6.511 -6.160 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.549 3.931 -6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.957 7.334 -5.873 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.589 7.421 -6.543 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.648 4.057 -7.489 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.538 5.583 -7.449 1.00 0.00 H new ATOM 495 N HIS A 33 -6.761 5.746 -6.849 1.00 0.00 N ATOM 496 CA HIS A 33 -6.275 6.071 -8.190 1.00 0.00 C ATOM 497 C HIS A 33 -5.299 5.016 -8.676 1.00 0.00 C ATOM 498 O HIS A 33 -5.309 4.629 -9.846 1.00 0.00 O ATOM 499 CB HIS A 33 -5.598 7.442 -8.179 1.00 0.00 C ATOM 500 CG HIS A 33 -6.638 8.512 -7.984 1.00 0.00 C ATOM 501 ND1 HIS A 33 -7.894 8.441 -8.566 1.00 0.00 N ATOM 502 CD2 HIS A 33 -6.619 9.690 -7.277 1.00 0.00 C ATOM 503 CE1 HIS A 33 -8.573 9.543 -8.203 1.00 0.00 C ATOM 504 NE2 HIS A 33 -7.843 10.340 -7.418 1.00 0.00 N ATOM 0 H HIS A 33 -6.619 6.480 -6.155 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.126 6.095 -8.871 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.859 7.488 -7.379 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -5.065 7.604 -9.116 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -5.783 10.056 -6.700 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -9.586 9.758 -8.509 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -8.122 11.232 -7.010 1.00 0.00 H new ATOM 512 N VAL A 34 -4.454 4.547 -7.770 1.00 0.00 N ATOM 513 CA VAL A 34 -3.470 3.525 -8.114 1.00 0.00 C ATOM 514 C VAL A 34 -4.159 2.203 -8.438 1.00 0.00 C ATOM 515 O VAL A 34 -3.758 1.491 -9.364 1.00 0.00 O ATOM 516 CB VAL A 34 -2.486 3.327 -6.955 1.00 0.00 C ATOM 517 CG1 VAL A 34 -1.557 2.146 -7.262 1.00 0.00 C ATOM 518 CG2 VAL A 34 -1.650 4.601 -6.773 1.00 0.00 C ATOM 0 H VAL A 34 -4.427 4.853 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.923 3.859 -8.995 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.042 3.120 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.859 2.008 -6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.150 1.241 -7.391 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.001 2.349 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.950 4.462 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.096 4.807 -7.689 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.309 5.440 -6.551 1.00 0.00 H new ATOM 528 N MET A 35 -5.187 1.868 -7.656 1.00 0.00 N ATOM 529 CA MET A 35 -5.904 0.619 -7.864 1.00 0.00 C ATOM 530 C MET A 35 -6.575 0.603 -9.233 1.00 0.00 C ATOM 531 O MET A 35 -6.527 -0.399 -9.945 1.00 0.00 O ATOM 532 CB MET A 35 -6.963 0.455 -6.768 1.00 0.00 C ATOM 533 CG MET A 35 -6.279 0.091 -5.451 1.00 0.00 C ATOM 534 SD MET A 35 -5.608 -1.586 -5.550 1.00 0.00 S ATOM 535 CE MET A 35 -5.508 -1.913 -3.773 1.00 0.00 C ATOM 0 H MET A 35 -5.534 2.438 -6.885 1.00 0.00 H new ATOM 0 HA MET A 35 -5.193 -0.206 -7.820 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.529 1.379 -6.653 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.674 -0.322 -7.048 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.479 0.800 -5.238 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.992 0.159 -4.630 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.353 -2.979 -3.607 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.675 -1.355 -3.347 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.436 -1.602 -3.293 1.00 0.00 H new ATOM 545 N ILE A 36 -7.194 1.717 -9.598 1.00 0.00 N ATOM 546 CA ILE A 36 -7.863 1.816 -10.892 1.00 0.00 C ATOM 547 C ILE A 36 -6.850 1.781 -12.023 1.00 0.00 C ATOM 548 O ILE A 36 -7.044 1.089 -13.021 1.00 0.00 O ATOM 549 CB ILE A 36 -8.686 3.107 -10.960 1.00 0.00 C ATOM 550 CG1 ILE A 36 -9.669 3.158 -9.782 1.00 0.00 C ATOM 551 CG2 ILE A 36 -9.466 3.165 -12.269 1.00 0.00 C ATOM 552 CD1 ILE A 36 -10.589 1.927 -9.788 1.00 0.00 C ATOM 0 H ILE A 36 -7.248 2.559 -9.024 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.531 0.962 -11.002 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.007 3.958 -10.908 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.117 3.201 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.268 4.066 -9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.047 4.087 -12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.771 3.140 -13.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.139 2.309 -12.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.278 1.983 -8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.156 1.901 -10.719 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.987 1.022 -9.705 1.00 0.00 H new ATOM 564 N ASN A 37 -5.770 2.528 -11.856 1.00 0.00 N ATOM 565 CA ASN A 37 -4.725 2.581 -12.871 1.00 0.00 C ATOM 566 C ASN A 37 -4.153 1.187 -13.103 1.00 0.00 C ATOM 567 O ASN A 37 -3.720 0.857 -14.206 1.00 0.00 O ATOM 568 CB ASN A 37 -3.611 3.532 -12.429 1.00 0.00 C ATOM 569 CG ASN A 37 -4.058 4.978 -12.609 1.00 0.00 C ATOM 570 OD1 ASN A 37 -5.035 5.246 -13.305 1.00 0.00 O ATOM 571 ND2 ASN A 37 -3.392 5.933 -12.018 1.00 0.00 N ATOM 0 H ASN A 37 -5.593 3.104 -11.033 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.157 2.949 -13.802 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.358 3.348 -11.385 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.710 3.346 -13.013 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.682 6.904 -12.133 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.582 5.708 -11.441 1.00 0.00 H new ATOM 578 N LEU A 38 -4.157 0.372 -12.054 1.00 0.00 N ATOM 579 CA LEU A 38 -3.638 -0.987 -12.156 1.00 0.00 C ATOM 580 C LEU A 38 -4.628 -1.892 -12.875 1.00 0.00 C ATOM 581 O LEU A 38 -4.398 -3.096 -13.005 1.00 0.00 O ATOM 582 CB LEU A 38 -3.355 -1.539 -10.756 1.00 0.00 C ATOM 583 CG LEU A 38 -2.064 -0.913 -10.202 1.00 0.00 C ATOM 584 CD1 LEU A 38 -2.010 -1.117 -8.685 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.828 -1.573 -10.847 1.00 0.00 C ATOM 0 H LEU A 38 -4.510 0.625 -11.131 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.713 -0.961 -12.732 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.191 -1.319 -10.092 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.256 -2.624 -10.796 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.061 0.152 -10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.096 -0.674 -8.291 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.874 -0.639 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.022 -2.184 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.078 -1.120 -10.445 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.828 -2.640 -10.626 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.859 -1.426 -11.927 1.00 0.00 H new ATOM 597 N GLY A 39 -5.720 -1.307 -13.344 1.00 0.00 N ATOM 598 CA GLY A 39 -6.735 -2.071 -14.053 1.00 0.00 C ATOM 599 C GLY A 39 -7.601 -2.858 -13.082 1.00 0.00 C ATOM 600 O GLY A 39 -8.216 -3.851 -13.459 1.00 0.00 O ATOM 0 H GLY A 39 -5.925 -0.313 -13.247 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.360 -1.397 -14.639 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.257 -2.754 -14.755 1.00 0.00 H new ATOM 604 N GLU A 40 -7.645 -2.411 -11.825 1.00 0.00 N ATOM 605 CA GLU A 40 -8.444 -3.085 -10.800 1.00 0.00 C ATOM 606 C GLU A 40 -9.508 -2.137 -10.269 1.00 0.00 C ATOM 607 O GLU A 40 -9.231 -0.978 -9.982 1.00 0.00 O ATOM 608 CB GLU A 40 -7.539 -3.533 -9.659 1.00 0.00 C ATOM 609 CG GLU A 40 -8.313 -4.481 -8.749 1.00 0.00 C ATOM 610 CD GLU A 40 -7.402 -5.017 -7.650 1.00 0.00 C ATOM 611 OE1 GLU A 40 -6.200 -4.854 -7.775 1.00 0.00 O ATOM 612 OE2 GLU A 40 -7.918 -5.584 -6.702 1.00 0.00 O ATOM 0 H GLU A 40 -7.139 -1.589 -11.494 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.930 -3.956 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.654 -4.031 -10.055 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.192 -2.669 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.162 -3.960 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.717 -5.308 -9.333 1.00 0.00 H new ATOM 619 N LYS A 41 -10.727 -2.641 -10.143 1.00 0.00 N ATOM 620 CA LYS A 41 -11.845 -1.832 -9.647 1.00 0.00 C ATOM 621 C LYS A 41 -12.239 -2.250 -8.239 1.00 0.00 C ATOM 622 O LYS A 41 -12.923 -3.251 -8.048 1.00 0.00 O ATOM 623 CB LYS A 41 -13.051 -1.996 -10.574 1.00 0.00 C ATOM 624 CG LYS A 41 -12.762 -1.319 -11.915 1.00 0.00 C ATOM 625 CD LYS A 41 -13.961 -1.500 -12.848 1.00 0.00 C ATOM 626 CE LYS A 41 -13.713 -0.736 -14.150 1.00 0.00 C ATOM 627 NZ LYS A 41 -12.471 -1.247 -14.796 1.00 0.00 N ATOM 0 H LYS A 41 -10.973 -3.603 -10.375 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.527 -0.790 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.264 -3.054 -10.727 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.937 -1.556 -10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.563 -0.258 -11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.868 -1.750 -12.367 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.115 -2.558 -13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.868 -1.135 -12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.562 -0.857 -14.823 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.617 0.330 -13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.459 -0.965 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.640 -0.849 -14.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.446 -2.285 -14.729 1.00 0.00 H new ATOM 641 N LEU A 42 -11.798 -1.469 -7.253 1.00 0.00 N ATOM 642 CA LEU A 42 -12.107 -1.752 -5.846 1.00 0.00 C ATOM 643 C LEU A 42 -13.034 -0.689 -5.284 1.00 0.00 C ATOM 644 O LEU A 42 -12.938 0.484 -5.642 1.00 0.00 O ATOM 645 CB LEU A 42 -10.813 -1.797 -5.035 1.00 0.00 C ATOM 646 CG LEU A 42 -10.070 -3.122 -5.314 1.00 0.00 C ATOM 647 CD1 LEU A 42 -8.570 -2.925 -5.090 1.00 0.00 C ATOM 648 CD2 LEU A 42 -10.581 -4.216 -4.362 1.00 0.00 C ATOM 0 H LEU A 42 -11.227 -0.637 -7.399 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.607 -2.718 -5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.178 -0.951 -5.297 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.036 -1.711 -3.972 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.253 -3.422 -6.346 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.047 -3.861 -5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.200 -2.153 -5.765 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.393 -2.621 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.054 -5.149 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.402 -3.913 -3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.650 -4.363 -4.517 1.00 0.00 H new ATOM 660 N THR A 43 -13.936 -1.111 -4.406 1.00 0.00 N ATOM 661 CA THR A 43 -14.883 -0.186 -3.806 1.00 0.00 C ATOM 662 C THR A 43 -14.197 0.675 -2.753 1.00 0.00 C ATOM 663 O THR A 43 -13.167 0.295 -2.196 1.00 0.00 O ATOM 664 CB THR A 43 -16.041 -0.963 -3.164 1.00 0.00 C ATOM 665 OG1 THR A 43 -16.308 -2.130 -3.928 1.00 0.00 O ATOM 666 CG2 THR A 43 -17.294 -0.089 -3.107 1.00 0.00 C ATOM 0 H THR A 43 -14.030 -2.079 -4.097 1.00 0.00 H new ATOM 0 HA THR A 43 -15.274 0.463 -4.589 1.00 0.00 H new ATOM 0 HB THR A 43 -15.761 -1.246 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 43 -17.046 -2.628 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 43 -18.109 -0.650 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 43 -17.089 0.802 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 43 -17.578 0.206 -4.117 1.00 0.00 H new ATOM 674 N ASP A 44 -14.774 1.837 -2.492 1.00 0.00 N ATOM 675 CA ASP A 44 -14.209 2.755 -1.505 1.00 0.00 C ATOM 676 C ASP A 44 -13.994 2.040 -0.177 1.00 0.00 C ATOM 677 O ASP A 44 -13.016 2.297 0.525 1.00 0.00 O ATOM 678 CB ASP A 44 -15.148 3.947 -1.298 1.00 0.00 C ATOM 679 CG ASP A 44 -16.525 3.457 -0.865 1.00 0.00 C ATOM 680 OD1 ASP A 44 -16.623 2.913 0.223 1.00 0.00 O ATOM 681 OD2 ASP A 44 -17.461 3.631 -1.627 1.00 0.00 O ATOM 0 H ASP A 44 -15.626 2.169 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.248 3.112 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -14.737 4.617 -0.543 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -15.231 4.520 -2.222 1.00 0.00 H new ATOM 686 N GLU A 45 -14.911 1.140 0.161 1.00 0.00 N ATOM 687 CA GLU A 45 -14.810 0.394 1.410 1.00 0.00 C ATOM 688 C GLU A 45 -13.456 -0.300 1.505 1.00 0.00 C ATOM 689 O GLU A 45 -12.807 -0.260 2.548 1.00 0.00 O ATOM 690 CB GLU A 45 -15.927 -0.650 1.483 1.00 0.00 C ATOM 691 CG GLU A 45 -17.286 0.053 1.517 1.00 0.00 C ATOM 692 CD GLU A 45 -17.432 0.849 2.809 1.00 0.00 C ATOM 693 OE1 GLU A 45 -16.707 0.557 3.746 1.00 0.00 O ATOM 694 OE2 GLU A 45 -18.265 1.739 2.843 1.00 0.00 O ATOM 0 H GLU A 45 -15.726 0.911 -0.407 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.909 1.091 2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.872 -1.316 0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.804 -1.268 2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.382 0.718 0.658 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.087 -0.683 1.442 1.00 0.00 H new ATOM 701 N GLU A 46 -13.040 -0.932 0.411 1.00 0.00 N ATOM 702 CA GLU A 46 -11.759 -1.630 0.389 1.00 0.00 C ATOM 703 C GLU A 46 -10.615 -0.663 0.705 1.00 0.00 C ATOM 704 O GLU A 46 -9.662 -0.996 1.418 1.00 0.00 O ATOM 705 CB GLU A 46 -11.537 -2.261 -0.985 1.00 0.00 C ATOM 706 CG GLU A 46 -12.590 -3.347 -1.231 1.00 0.00 C ATOM 707 CD GLU A 46 -12.398 -4.498 -0.247 1.00 0.00 C ATOM 708 OE1 GLU A 46 -11.306 -4.623 0.283 1.00 0.00 O ATOM 709 OE2 GLU A 46 -13.348 -5.236 -0.033 1.00 0.00 O ATOM 0 H GLU A 46 -13.565 -0.975 -0.463 1.00 0.00 H new ATOM 0 HA GLU A 46 -11.775 -2.412 1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.600 -1.498 -1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.537 -2.691 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -13.590 -2.927 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -12.511 -3.716 -2.254 1.00 0.00 H new ATOM 716 N VAL A 47 -10.715 0.542 0.174 1.00 0.00 N ATOM 717 CA VAL A 47 -9.698 1.553 0.413 1.00 0.00 C ATOM 718 C VAL A 47 -9.738 2.043 1.860 1.00 0.00 C ATOM 719 O VAL A 47 -8.698 2.245 2.492 1.00 0.00 O ATOM 720 CB VAL A 47 -9.891 2.731 -0.541 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.902 3.845 -0.199 1.00 0.00 C ATOM 722 CG2 VAL A 47 -9.650 2.265 -1.977 1.00 0.00 C ATOM 0 H VAL A 47 -11.485 0.845 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.723 1.100 0.232 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.908 3.110 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.045 4.681 -0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.071 4.180 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.883 3.469 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.787 3.104 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.633 1.884 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -10.358 1.475 -2.227 1.00 0.00 H new ATOM 732 N GLU A 48 -10.949 2.261 2.376 1.00 0.00 N ATOM 733 CA GLU A 48 -11.109 2.750 3.727 1.00 0.00 C ATOM 734 C GLU A 48 -10.590 1.748 4.746 1.00 0.00 C ATOM 735 O GLU A 48 -9.811 2.096 5.624 1.00 0.00 O ATOM 736 CB GLU A 48 -12.595 3.022 3.997 1.00 0.00 C ATOM 737 CG GLU A 48 -12.752 3.658 5.374 1.00 0.00 C ATOM 738 CD GLU A 48 -14.217 3.996 5.637 1.00 0.00 C ATOM 739 OE1 GLU A 48 -14.981 4.007 4.687 1.00 0.00 O ATOM 740 OE2 GLU A 48 -14.553 4.242 6.786 1.00 0.00 O ATOM 0 H GLU A 48 -11.823 2.105 1.874 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.531 3.669 3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.000 3.683 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.161 2.092 3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -12.386 2.976 6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -12.146 4.562 5.436 1.00 0.00 H new ATOM 747 N GLN A 49 -11.028 0.505 4.620 1.00 0.00 N ATOM 748 CA GLN A 49 -10.603 -0.538 5.550 1.00 0.00 C ATOM 749 C GLN A 49 -9.095 -0.726 5.487 1.00 0.00 C ATOM 750 O GLN A 49 -8.447 -0.968 6.506 1.00 0.00 O ATOM 751 CB GLN A 49 -11.311 -1.857 5.227 1.00 0.00 C ATOM 752 CG GLN A 49 -10.847 -2.361 3.865 1.00 0.00 C ATOM 753 CD GLN A 49 -11.668 -3.571 3.439 1.00 0.00 C ATOM 754 OE1 GLN A 49 -11.180 -4.699 3.486 1.00 0.00 O ATOM 755 NE2 GLN A 49 -12.891 -3.401 3.020 1.00 0.00 N ATOM 0 H GLN A 49 -11.671 0.193 3.892 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.874 -0.230 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.091 -2.598 5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.391 -1.711 5.224 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.945 -1.568 3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.791 -2.627 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -13.292 -2.464 2.983 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -13.447 -4.205 2.730 1.00 0.00 H new ATOM 764 N MET A 50 -8.532 -0.607 4.287 1.00 0.00 N ATOM 765 CA MET A 50 -7.089 -0.765 4.122 1.00 0.00 C ATOM 766 C MET A 50 -6.339 0.326 4.888 1.00 0.00 C ATOM 767 O MET A 50 -5.315 0.062 5.530 1.00 0.00 O ATOM 768 CB MET A 50 -6.739 -0.684 2.633 1.00 0.00 C ATOM 769 CG MET A 50 -7.032 -2.024 1.964 1.00 0.00 C ATOM 770 SD MET A 50 -6.945 -1.840 0.165 1.00 0.00 S ATOM 771 CE MET A 50 -5.145 -1.741 0.024 1.00 0.00 C ATOM 0 H MET A 50 -9.043 -0.405 3.427 1.00 0.00 H new ATOM 0 HA MET A 50 -6.791 -1.735 4.520 1.00 0.00 H new ATOM 0 HB2 MET A 50 -7.318 0.106 2.156 1.00 0.00 H new ATOM 0 HB3 MET A 50 -5.687 -0.427 2.510 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.314 -2.773 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 50 -8.021 -2.378 2.256 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.869 -0.803 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.699 -1.783 1.018 1.00 0.00 H new ATOM 0 HE3 MET A 50 -4.780 -2.577 -0.573 1.00 0.00 H new ATOM 781 N ILE A 51 -6.862 1.546 4.827 1.00 0.00 N ATOM 782 CA ILE A 51 -6.241 2.660 5.527 1.00 0.00 C ATOM 783 C ILE A 51 -6.342 2.477 7.036 1.00 0.00 C ATOM 784 O ILE A 51 -5.387 2.730 7.761 1.00 0.00 O ATOM 785 CB ILE A 51 -6.904 3.977 5.119 1.00 0.00 C ATOM 786 CG1 ILE A 51 -6.570 4.276 3.655 1.00 0.00 C ATOM 787 CG2 ILE A 51 -6.380 5.119 5.996 1.00 0.00 C ATOM 788 CD1 ILE A 51 -7.456 5.414 3.152 1.00 0.00 C ATOM 0 H ILE A 51 -7.705 1.785 4.306 1.00 0.00 H new ATOM 0 HA ILE A 51 -5.187 2.688 5.251 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.983 3.890 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.519 4.550 3.559 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.724 3.385 3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.857 6.053 5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.610 4.910 7.041 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.301 5.207 5.872 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.218 5.627 2.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.503 5.123 3.233 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.280 6.306 3.754 1.00 0.00 H new ATOM 800 N LYS A 52 -7.514 2.055 7.504 1.00 0.00 N ATOM 801 CA LYS A 52 -7.728 1.869 8.934 1.00 0.00 C ATOM 802 C LYS A 52 -6.756 0.842 9.488 1.00 0.00 C ATOM 803 O LYS A 52 -6.161 1.046 10.546 1.00 0.00 O ATOM 804 CB LYS A 52 -9.161 1.399 9.182 1.00 0.00 C ATOM 805 CG LYS A 52 -10.128 2.515 8.817 1.00 0.00 C ATOM 806 CD LYS A 52 -11.572 2.044 9.038 1.00 0.00 C ATOM 807 CE LYS A 52 -11.840 1.847 10.544 1.00 0.00 C ATOM 808 NZ LYS A 52 -11.474 0.457 10.924 1.00 0.00 N ATOM 0 H LYS A 52 -8.321 1.838 6.920 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.560 2.821 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.372 0.510 8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.288 1.120 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.926 3.397 9.425 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.986 2.806 7.776 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.268 2.776 8.629 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.744 1.109 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.259 2.562 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -12.890 2.034 10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.298 -0.015 11.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.173 -0.067 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.695 0.479 11.612 1.00 0.00 H new ATOM 822 N GLU A 53 -6.600 -0.262 8.770 1.00 0.00 N ATOM 823 CA GLU A 53 -5.692 -1.313 9.209 1.00 0.00 C ATOM 824 C GLU A 53 -4.258 -0.800 9.253 1.00 0.00 C ATOM 825 O GLU A 53 -3.523 -1.059 10.209 1.00 0.00 O ATOM 826 CB GLU A 53 -5.773 -2.506 8.253 1.00 0.00 C ATOM 827 CG GLU A 53 -7.147 -3.161 8.367 1.00 0.00 C ATOM 828 CD GLU A 53 -7.297 -3.829 9.730 1.00 0.00 C ATOM 829 OE1 GLU A 53 -6.280 -4.121 10.339 1.00 0.00 O ATOM 830 OE2 GLU A 53 -8.425 -4.039 10.145 1.00 0.00 O ATOM 0 H GLU A 53 -7.083 -0.452 7.892 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.988 -1.625 10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.600 -2.176 7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.993 -3.229 8.491 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.928 -2.412 8.232 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.273 -3.900 7.575 1.00 0.00 H new ATOM 837 N ALA A 54 -3.861 -0.080 8.211 1.00 0.00 N ATOM 838 CA ALA A 54 -2.507 0.463 8.146 1.00 0.00 C ATOM 839 C ALA A 54 -2.313 1.594 9.148 1.00 0.00 C ATOM 840 O ALA A 54 -1.317 1.637 9.867 1.00 0.00 O ATOM 841 CB ALA A 54 -2.227 0.990 6.740 1.00 0.00 C ATOM 0 H ALA A 54 -4.449 0.141 7.407 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.814 -0.342 8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.215 1.394 6.698 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.324 0.177 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.942 1.776 6.497 1.00 0.00 H new ATOM 847 N ASP A 55 -3.273 2.512 9.186 1.00 0.00 N ATOM 848 CA ASP A 55 -3.194 3.648 10.095 1.00 0.00 C ATOM 849 C ASP A 55 -3.359 3.204 11.541 1.00 0.00 C ATOM 850 O ASP A 55 -4.333 2.537 11.885 1.00 0.00 O ATOM 851 CB ASP A 55 -4.294 4.663 9.759 1.00 0.00 C ATOM 852 CG ASP A 55 -3.928 5.445 8.505 1.00 0.00 C ATOM 853 OD1 ASP A 55 -2.812 5.290 8.046 1.00 0.00 O ATOM 854 OD2 ASP A 55 -4.764 6.193 8.032 1.00 0.00 O ATOM 0 H ASP A 55 -4.109 2.492 8.602 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.212 4.105 9.975 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.242 4.146 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.433 5.348 10.595 1.00 0.00 H new ATOM 859 N LEU A 56 -2.405 3.587 12.386 1.00 0.00 N ATOM 860 CA LEU A 56 -2.459 3.237 13.804 1.00 0.00 C ATOM 861 C LEU A 56 -2.993 4.407 14.614 1.00 0.00 C ATOM 862 O LEU A 56 -3.299 4.257 15.791 1.00 0.00 O ATOM 863 CB LEU A 56 -1.057 2.854 14.306 1.00 0.00 C ATOM 864 CG LEU A 56 -0.776 1.386 13.975 1.00 0.00 C ATOM 865 CD1 LEU A 56 -0.823 1.180 12.460 1.00 0.00 C ATOM 866 CD2 LEU A 56 0.606 1.006 14.506 1.00 0.00 C ATOM 0 H LEU A 56 -1.589 4.137 12.116 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.128 2.386 13.928 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.306 3.492 13.840 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.989 3.014 15.382 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.532 0.755 14.443 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.622 0.134 12.229 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.810 1.451 12.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.070 1.808 11.984 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.811 -0.039 14.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.362 1.637 14.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.632 1.148 15.586 1.00 0.00 H new ATOM 878 N ASP A 57 -3.100 5.569 13.974 1.00 0.00 N ATOM 879 CA ASP A 57 -3.606 6.771 14.644 1.00 0.00 C ATOM 880 C ASP A 57 -4.832 7.310 13.919 1.00 0.00 C ATOM 881 O ASP A 57 -5.390 8.335 14.311 1.00 0.00 O ATOM 882 CB ASP A 57 -2.516 7.840 14.672 1.00 0.00 C ATOM 883 CG ASP A 57 -1.952 8.061 13.268 1.00 0.00 C ATOM 884 OD1 ASP A 57 -2.330 7.325 12.360 1.00 0.00 O ATOM 885 OD2 ASP A 57 -1.146 8.963 13.119 1.00 0.00 O ATOM 0 H ASP A 57 -2.845 5.707 12.996 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.889 6.510 15.664 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.923 8.774 15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.717 7.537 15.348 1.00 0.00 H new ATOM 890 N GLY A 58 -5.249 6.614 12.866 1.00 0.00 N ATOM 891 CA GLY A 58 -6.414 7.038 12.099 1.00 0.00 C ATOM 892 C GLY A 58 -6.366 8.537 11.824 1.00 0.00 C ATOM 893 O GLY A 58 -7.302 9.266 12.148 1.00 0.00 O ATOM 0 H GLY A 58 -4.802 5.762 12.527 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.453 6.492 11.156 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.324 6.793 12.647 1.00 0.00 H new ATOM 897 N ASP A 59 -5.266 8.991 11.229 1.00 0.00 N ATOM 898 CA ASP A 59 -5.104 10.408 10.918 1.00 0.00 C ATOM 899 C ASP A 59 -5.804 10.754 9.612 1.00 0.00 C ATOM 900 O ASP A 59 -6.056 11.923 9.328 1.00 0.00 O ATOM 901 CB ASP A 59 -3.620 10.752 10.816 1.00 0.00 C ATOM 902 CG ASP A 59 -2.936 9.834 9.808 1.00 0.00 C ATOM 903 OD1 ASP A 59 -3.592 8.928 9.319 1.00 0.00 O ATOM 904 OD2 ASP A 59 -1.765 10.048 9.542 1.00 0.00 O ATOM 0 H ASP A 59 -4.479 8.403 10.954 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.556 10.992 11.720 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.500 11.792 10.512 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.147 10.649 11.793 1.00 0.00 H new ATOM 909 N GLY A 60 -6.119 9.731 8.819 1.00 0.00 N ATOM 910 CA GLY A 60 -6.794 9.934 7.536 1.00 0.00 C ATOM 911 C GLY A 60 -5.870 9.608 6.373 1.00 0.00 C ATOM 912 O GLY A 60 -6.314 9.495 5.232 1.00 0.00 O ATOM 0 H GLY A 60 -5.919 8.756 9.041 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.683 9.305 7.486 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.131 10.968 7.458 1.00 0.00 H new ATOM 916 N GLN A 61 -4.582 9.455 6.663 1.00 0.00 N ATOM 917 CA GLN A 61 -3.597 9.138 5.626 1.00 0.00 C ATOM 918 C GLN A 61 -2.590 8.121 6.147 1.00 0.00 C ATOM 919 O GLN A 61 -2.370 8.006 7.358 1.00 0.00 O ATOM 920 CB GLN A 61 -2.868 10.413 5.192 1.00 0.00 C ATOM 921 CG GLN A 61 -2.550 11.269 6.423 1.00 0.00 C ATOM 922 CD GLN A 61 -3.791 12.040 6.862 1.00 0.00 C ATOM 923 OE1 GLN A 61 -4.653 12.351 6.041 1.00 0.00 O ATOM 924 NE2 GLN A 61 -3.931 12.376 8.114 1.00 0.00 N ATOM 0 H GLN A 61 -4.194 9.544 7.602 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.117 8.711 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.948 10.157 4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.486 10.978 4.494 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.201 10.633 7.237 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.743 11.965 6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.216 12.118 8.794 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.755 12.897 8.413 1.00 0.00 H new ATOM 933 N VAL A 62 -1.980 7.381 5.225 1.00 0.00 N ATOM 934 CA VAL A 62 -0.994 6.369 5.592 1.00 0.00 C ATOM 935 C VAL A 62 0.414 6.939 5.483 1.00 0.00 C ATOM 936 O VAL A 62 0.771 7.554 4.476 1.00 0.00 O ATOM 937 CB VAL A 62 -1.128 5.152 4.679 1.00 0.00 C ATOM 938 CG1 VAL A 62 -0.340 3.982 5.262 1.00 0.00 C ATOM 939 CG2 VAL A 62 -2.601 4.770 4.546 1.00 0.00 C ATOM 0 H VAL A 62 -2.150 7.462 4.223 1.00 0.00 H new ATOM 0 HA VAL A 62 -1.175 6.066 6.623 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.730 5.395 3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.438 3.116 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.711 4.257 5.345 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.730 3.737 6.250 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.694 3.901 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.005 4.530 5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.156 5.605 4.119 1.00 0.00 H new ATOM 949 N ASN A 63 1.209 6.734 6.532 1.00 0.00 N ATOM 950 CA ASN A 63 2.580 7.231 6.557 1.00 0.00 C ATOM 951 C ASN A 63 3.526 6.207 5.937 1.00 0.00 C ATOM 952 O ASN A 63 3.204 5.023 5.848 1.00 0.00 O ATOM 953 CB ASN A 63 3.009 7.513 7.997 1.00 0.00 C ATOM 954 CG ASN A 63 2.211 8.684 8.559 1.00 0.00 C ATOM 955 OD1 ASN A 63 1.616 9.451 7.801 1.00 0.00 O ATOM 956 ND2 ASN A 63 2.160 8.870 9.849 1.00 0.00 N ATOM 0 H ASN A 63 0.927 6.229 7.372 1.00 0.00 H new ATOM 0 HA ASN A 63 2.624 8.154 5.979 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.852 6.627 8.612 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.075 7.739 8.030 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.627 9.651 10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.653 8.234 10.476 1.00 0.00 H new ATOM 963 N TYR A 64 4.694 6.673 5.508 1.00 0.00 N ATOM 964 CA TYR A 64 5.674 5.790 4.892 1.00 0.00 C ATOM 965 C TYR A 64 5.920 4.572 5.781 1.00 0.00 C ATOM 966 O TYR A 64 5.991 3.446 5.294 1.00 0.00 O ATOM 967 CB TYR A 64 6.994 6.546 4.682 1.00 0.00 C ATOM 968 CG TYR A 64 8.070 5.580 4.232 1.00 0.00 C ATOM 969 CD1 TYR A 64 8.095 5.124 2.908 1.00 0.00 C ATOM 970 CD2 TYR A 64 9.036 5.137 5.144 1.00 0.00 C ATOM 971 CE1 TYR A 64 9.087 4.224 2.496 1.00 0.00 C ATOM 972 CE2 TYR A 64 10.027 4.241 4.732 1.00 0.00 C ATOM 973 CZ TYR A 64 10.052 3.784 3.409 1.00 0.00 C ATOM 974 OH TYR A 64 11.025 2.894 3.006 1.00 0.00 O ATOM 0 H TYR A 64 4.982 7.649 5.575 1.00 0.00 H new ATOM 0 HA TYR A 64 5.289 5.455 3.929 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.861 7.330 3.936 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.295 7.035 5.608 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.350 5.466 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 64 9.015 5.487 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 64 9.107 3.871 1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 64 10.774 3.901 5.435 1.00 0.00 H new ATOM 0 HH TYR A 64 11.616 2.692 3.761 1.00 0.00 H new ATOM 984 N GLU A 65 6.055 4.807 7.081 1.00 0.00 N ATOM 985 CA GLU A 65 6.302 3.716 8.017 1.00 0.00 C ATOM 986 C GLU A 65 5.124 2.750 8.032 1.00 0.00 C ATOM 987 O GLU A 65 5.302 1.534 8.010 1.00 0.00 O ATOM 988 CB GLU A 65 6.514 4.281 9.422 1.00 0.00 C ATOM 989 CG GLU A 65 7.690 5.251 9.401 1.00 0.00 C ATOM 990 CD GLU A 65 7.929 5.815 10.800 1.00 0.00 C ATOM 991 OE1 GLU A 65 7.193 5.446 11.700 1.00 0.00 O ATOM 992 OE2 GLU A 65 8.850 6.604 10.954 1.00 0.00 O ATOM 0 H GLU A 65 5.999 5.732 7.508 1.00 0.00 H new ATOM 0 HA GLU A 65 7.195 3.179 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.613 4.791 9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.707 3.472 10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.586 4.741 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.489 6.063 8.702 1.00 0.00 H new ATOM 999 N GLU A 66 3.917 3.304 8.068 1.00 0.00 N ATOM 1000 CA GLU A 66 2.707 2.477 8.082 1.00 0.00 C ATOM 1001 C GLU A 66 2.637 1.623 6.811 1.00 0.00 C ATOM 1002 O GLU A 66 2.225 0.464 6.837 1.00 0.00 O ATOM 1003 CB GLU A 66 1.465 3.368 8.178 1.00 0.00 C ATOM 1004 CG GLU A 66 1.409 4.024 9.560 1.00 0.00 C ATOM 1005 CD GLU A 66 0.256 5.026 9.622 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -0.465 5.136 8.645 1.00 0.00 O ATOM 1007 OE2 GLU A 66 0.114 5.670 10.644 1.00 0.00 O ATOM 0 H GLU A 66 3.747 4.309 8.088 1.00 0.00 H new ATOM 0 HA GLU A 66 2.742 1.818 8.950 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.493 4.133 7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.566 2.775 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.279 3.261 10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.352 4.530 9.769 1.00 0.00 H new ATOM 1014 N PHE A 67 3.029 2.206 5.696 1.00 0.00 N ATOM 1015 CA PHE A 67 3.009 1.480 4.431 1.00 0.00 C ATOM 1016 C PHE A 67 4.046 0.359 4.435 1.00 0.00 C ATOM 1017 O PHE A 67 3.765 -0.764 4.017 1.00 0.00 O ATOM 1018 CB PHE A 67 3.300 2.432 3.276 1.00 0.00 C ATOM 1019 CG PHE A 67 3.133 1.703 1.964 1.00 0.00 C ATOM 1020 CD1 PHE A 67 1.874 1.617 1.364 1.00 0.00 C ATOM 1021 CD2 PHE A 67 4.243 1.114 1.346 1.00 0.00 C ATOM 1022 CE1 PHE A 67 1.721 0.942 0.148 1.00 0.00 C ATOM 1023 CE2 PHE A 67 4.092 0.438 0.129 1.00 0.00 C ATOM 1024 CZ PHE A 67 2.831 0.351 -0.470 1.00 0.00 C ATOM 0 H PHE A 67 3.362 3.168 5.634 1.00 0.00 H new ATOM 0 HA PHE A 67 2.018 1.045 4.305 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.625 3.287 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.314 2.823 3.360 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.018 2.072 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.217 1.181 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.747 0.876 -0.314 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.949 -0.016 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.713 -0.171 -1.408 1.00 0.00 H new ATOM 1034 N VAL A 68 5.253 0.676 4.900 1.00 0.00 N ATOM 1035 CA VAL A 68 6.321 -0.315 4.926 1.00 0.00 C ATOM 1036 C VAL A 68 5.926 -1.527 5.774 1.00 0.00 C ATOM 1037 O VAL A 68 5.966 -2.672 5.307 1.00 0.00 O ATOM 1038 CB VAL A 68 7.592 0.323 5.515 1.00 0.00 C ATOM 1039 CG1 VAL A 68 8.633 -0.762 5.820 1.00 0.00 C ATOM 1040 CG2 VAL A 68 8.183 1.314 4.511 1.00 0.00 C ATOM 0 H VAL A 68 5.511 1.596 5.258 1.00 0.00 H new ATOM 0 HA VAL A 68 6.505 -0.651 3.906 1.00 0.00 H new ATOM 0 HB VAL A 68 7.330 0.843 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 68 9.528 -0.300 6.236 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.221 -1.469 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 68 8.890 -1.288 4.901 1.00 0.00 H new ATOM 0 HG21 VAL A 68 9.083 1.764 4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.435 0.791 3.589 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.453 2.094 4.297 1.00 0.00 H new ATOM 1050 N LYS A 69 5.549 -1.272 7.021 1.00 0.00 N ATOM 1051 CA LYS A 69 5.165 -2.353 7.915 1.00 0.00 C ATOM 1052 C LYS A 69 4.023 -3.153 7.300 1.00 0.00 C ATOM 1053 O LYS A 69 3.951 -4.370 7.455 1.00 0.00 O ATOM 1054 CB LYS A 69 4.758 -1.779 9.280 1.00 0.00 C ATOM 1055 CG LYS A 69 3.305 -1.306 9.239 1.00 0.00 C ATOM 1056 CD LYS A 69 3.000 -0.408 10.428 1.00 0.00 C ATOM 1057 CE LYS A 69 3.006 -1.246 11.704 1.00 0.00 C ATOM 1058 NZ LYS A 69 2.417 -0.454 12.812 1.00 0.00 N ATOM 0 H LYS A 69 5.502 -0.339 7.430 1.00 0.00 H new ATOM 0 HA LYS A 69 6.013 -3.022 8.061 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.880 -2.538 10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.412 -0.948 9.543 1.00 0.00 H new ATOM 0 HG2 LYS A 69 3.119 -0.765 8.311 1.00 0.00 H new ATOM 0 HG3 LYS A 69 2.636 -2.167 9.246 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.742 0.388 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.030 0.071 10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.436 -2.163 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.025 -1.542 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 2.122 -1.094 13.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.125 0.216 13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.590 0.071 12.462 1.00 0.00 H new ATOM 1072 N MET A 70 3.129 -2.457 6.603 1.00 0.00 N ATOM 1073 CA MET A 70 2.002 -3.130 5.975 1.00 0.00 C ATOM 1074 C MET A 70 2.486 -4.104 4.914 1.00 0.00 C ATOM 1075 O MET A 70 2.007 -5.229 4.838 1.00 0.00 O ATOM 1076 CB MET A 70 1.068 -2.081 5.343 1.00 0.00 C ATOM 1077 CG MET A 70 0.079 -1.524 6.392 1.00 0.00 C ATOM 1078 SD MET A 70 -1.526 -2.348 6.164 1.00 0.00 S ATOM 1079 CE MET A 70 -1.529 -3.298 7.692 1.00 0.00 C ATOM 0 H MET A 70 3.162 -1.447 6.462 1.00 0.00 H new ATOM 0 HA MET A 70 1.457 -3.693 6.733 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.659 -1.266 4.925 1.00 0.00 H new ATOM 0 HB3 MET A 70 0.515 -2.530 4.518 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.456 -1.700 7.399 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.029 -0.446 6.276 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.482 -3.817 7.796 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.719 -4.027 7.669 1.00 0.00 H new ATOM 0 HE3 MET A 70 -1.388 -2.626 8.539 1.00 0.00 H new ATOM 1089 N MET A 71 3.434 -3.664 4.106 1.00 0.00 N ATOM 1090 CA MET A 71 3.970 -4.503 3.055 1.00 0.00 C ATOM 1091 C MET A 71 4.668 -5.709 3.645 1.00 0.00 C ATOM 1092 O MET A 71 4.744 -6.763 3.020 1.00 0.00 O ATOM 1093 CB MET A 71 4.946 -3.711 2.187 1.00 0.00 C ATOM 1094 CG MET A 71 5.450 -4.594 1.038 1.00 0.00 C ATOM 1095 SD MET A 71 5.914 -3.546 -0.362 1.00 0.00 S ATOM 1096 CE MET A 71 4.344 -3.657 -1.260 1.00 0.00 C ATOM 0 H MET A 71 3.846 -2.733 4.159 1.00 0.00 H new ATOM 0 HA MET A 71 3.142 -4.844 2.434 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.455 -2.823 1.788 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.787 -3.367 2.789 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.307 -5.183 1.366 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.674 -5.299 0.738 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.525 -4.041 -2.264 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.669 -4.329 -0.731 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.892 -2.667 -1.326 1.00 0.00 H new ATOM 1106 N MET A 72 5.177 -5.550 4.865 1.00 0.00 N ATOM 1107 CA MET A 72 5.856 -6.653 5.555 1.00 0.00 C ATOM 1108 C MET A 72 4.883 -7.458 6.415 1.00 0.00 C ATOM 1109 O MET A 72 4.657 -8.647 6.180 1.00 0.00 O ATOM 1110 CB MET A 72 6.995 -6.096 6.429 1.00 0.00 C ATOM 1111 CG MET A 72 8.345 -6.376 5.767 1.00 0.00 C ATOM 1112 SD MET A 72 8.351 -5.669 4.100 1.00 0.00 S ATOM 1113 CE MET A 72 9.154 -4.108 4.522 1.00 0.00 C ATOM 0 H MET A 72 5.135 -4.679 5.394 1.00 0.00 H new ATOM 0 HA MET A 72 6.267 -7.323 4.800 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.865 -5.023 6.570 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.963 -6.554 7.418 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.151 -5.944 6.361 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.524 -7.450 5.720 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.851 -3.339 3.811 1.00 0.00 H new ATOM 0 HE2 MET A 72 8.861 -3.808 5.528 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.236 -4.233 4.482 1.00 0.00 H new ATOM 1123 N THR A 73 4.327 -6.796 7.426 1.00 0.00 N ATOM 1124 CA THR A 73 3.407 -7.455 8.345 1.00 0.00 C ATOM 1125 C THR A 73 2.423 -8.329 7.584 1.00 0.00 C ATOM 1126 O THR A 73 1.990 -9.365 8.079 1.00 0.00 O ATOM 1127 CB THR A 73 2.636 -6.410 9.159 1.00 0.00 C ATOM 1128 OG1 THR A 73 3.537 -5.697 9.994 1.00 0.00 O ATOM 1129 CG2 THR A 73 1.573 -7.104 10.017 1.00 0.00 C ATOM 0 H THR A 73 4.496 -5.811 7.628 1.00 0.00 H new ATOM 0 HA THR A 73 3.990 -8.083 9.019 1.00 0.00 H new ATOM 0 HB THR A 73 2.147 -5.712 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.008 -5.021 9.464 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.027 -6.358 10.594 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.879 -7.642 9.372 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.056 -7.806 10.697 1.00 0.00 H new ATOM 1137 N VAL A 74 2.080 -7.908 6.374 1.00 0.00 N ATOM 1138 CA VAL A 74 1.145 -8.669 5.550 1.00 0.00 C ATOM 1139 C VAL A 74 1.715 -10.048 5.225 1.00 0.00 C ATOM 1140 O VAL A 74 1.024 -11.059 5.344 1.00 0.00 O ATOM 1141 CB VAL A 74 0.863 -7.913 4.253 1.00 0.00 C ATOM 1142 CG1 VAL A 74 2.158 -7.780 3.444 1.00 0.00 C ATOM 1143 CG2 VAL A 74 -0.183 -8.669 3.438 1.00 0.00 C ATOM 0 H VAL A 74 2.430 -7.053 5.943 1.00 0.00 H new ATOM 0 HA VAL A 74 0.217 -8.796 6.107 1.00 0.00 H new ATOM 0 HB VAL A 74 0.484 -6.918 4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.955 -7.240 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.898 -7.233 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.543 -8.772 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.384 -8.129 2.513 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.190 -9.666 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.103 -8.753 4.016 1.00 0.00 H new ATOM 1205 N GLY A 80 -4.391 -7.389 5.997 1.00 0.00 N ATOM 1206 CA GLY A 80 -5.817 -7.132 5.803 1.00 0.00 C ATOM 1207 C GLY A 80 -6.319 -7.837 4.548 1.00 0.00 C ATOM 1208 O GLY A 80 -5.569 -8.555 3.888 1.00 0.00 O ATOM 0 HA2 GLY A 80 -6.377 -7.479 6.671 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.991 -6.059 5.719 1.00 0.00 H new ATOM 1212 N ASN A 81 -7.588 -7.623 4.225 1.00 0.00 N ATOM 1213 CA ASN A 81 -8.177 -8.231 3.039 1.00 0.00 C ATOM 1214 C ASN A 81 -7.765 -7.469 1.773 1.00 0.00 C ATOM 1215 O ASN A 81 -7.433 -8.065 0.737 1.00 0.00 O ATOM 1216 CB ASN A 81 -9.704 -8.236 3.165 1.00 0.00 C ATOM 1217 CG ASN A 81 -10.135 -9.248 4.224 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -9.464 -10.259 4.427 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -11.220 -9.032 4.917 1.00 0.00 N ATOM 0 H ASN A 81 -8.226 -7.037 4.764 1.00 0.00 H new ATOM 0 HA ASN A 81 -7.813 -9.255 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.059 -7.241 3.435 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.156 -8.486 2.205 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -11.513 -9.702 5.628 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.775 -8.193 4.747 1.00 0.00 H new ATOM 1226 N GLY A 82 -7.773 -6.143 1.871 1.00 0.00 N ATOM 1227 CA GLY A 82 -7.394 -5.305 0.743 1.00 0.00 C ATOM 1228 C GLY A 82 -5.890 -5.355 0.496 1.00 0.00 C ATOM 1229 O GLY A 82 -5.440 -5.483 -0.646 1.00 0.00 O ATOM 0 H GLY A 82 -8.036 -5.631 2.713 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.923 -5.635 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.699 -4.276 0.933 1.00 0.00 H new ATOM 1233 N TRP A 83 -5.115 -5.258 1.573 1.00 0.00 N ATOM 1234 CA TRP A 83 -3.663 -5.294 1.460 1.00 0.00 C ATOM 1235 C TRP A 83 -3.225 -6.622 0.850 1.00 0.00 C ATOM 1236 O TRP A 83 -2.370 -6.656 -0.034 1.00 0.00 O ATOM 1237 CB TRP A 83 -3.031 -5.119 2.842 1.00 0.00 C ATOM 1238 CG TRP A 83 -3.316 -3.742 3.348 1.00 0.00 C ATOM 1239 CD1 TRP A 83 -4.217 -3.439 4.312 1.00 0.00 C ATOM 1240 CD2 TRP A 83 -2.721 -2.477 2.936 1.00 0.00 C ATOM 1241 NE1 TRP A 83 -4.210 -2.073 4.519 1.00 0.00 N ATOM 1242 CE2 TRP A 83 -3.305 -1.437 3.694 1.00 0.00 C ATOM 1243 CE3 TRP A 83 -1.740 -2.137 1.987 1.00 0.00 C ATOM 1244 CZ2 TRP A 83 -2.932 -0.106 3.519 1.00 0.00 C ATOM 1245 CZ3 TRP A 83 -1.360 -0.797 1.806 1.00 0.00 C ATOM 1246 CH2 TRP A 83 -1.955 0.217 2.572 1.00 0.00 C ATOM 0 H TRP A 83 -5.466 -5.155 2.525 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.333 -4.481 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.430 -5.862 3.533 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -1.955 -5.282 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -4.840 -4.150 4.834 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.801 -1.594 5.198 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -1.276 -2.911 1.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.394 0.671 4.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.607 -0.546 1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -1.659 1.246 2.430 1.00 0.00 H new ATOM 1257 N SER A 84 -3.819 -7.714 1.331 1.00 0.00 N ATOM 1258 CA SER A 84 -3.484 -9.037 0.823 1.00 0.00 C ATOM 1259 C SER A 84 -3.798 -9.118 -0.663 1.00 0.00 C ATOM 1260 O SER A 84 -3.053 -9.728 -1.431 1.00 0.00 O ATOM 1261 CB SER A 84 -4.281 -10.103 1.575 1.00 0.00 C ATOM 1262 OG SER A 84 -5.669 -9.852 1.407 1.00 0.00 O ATOM 0 H SER A 84 -4.528 -7.706 2.065 1.00 0.00 H new ATOM 0 HA SER A 84 -2.419 -9.213 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.030 -11.095 1.199 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.022 -10.089 2.634 1.00 0.00 H new ATOM 0 HG SER A 84 -5.806 -8.906 1.190 1.00 0.00 H new ATOM 1268 N ARG A 85 -4.897 -8.485 -1.065 1.00 0.00 N ATOM 1269 CA ARG A 85 -5.278 -8.493 -2.474 1.00 0.00 C ATOM 1270 C ARG A 85 -4.225 -7.772 -3.311 1.00 0.00 C ATOM 1271 O ARG A 85 -3.863 -8.233 -4.395 1.00 0.00 O ATOM 1272 CB ARG A 85 -6.637 -7.806 -2.645 1.00 0.00 C ATOM 1273 CG ARG A 85 -7.128 -7.944 -4.103 1.00 0.00 C ATOM 1274 CD ARG A 85 -7.874 -9.272 -4.270 1.00 0.00 C ATOM 1275 NE ARG A 85 -8.277 -9.446 -5.652 1.00 0.00 N ATOM 1276 CZ ARG A 85 -9.061 -10.454 -6.010 1.00 0.00 C ATOM 1277 NH1 ARG A 85 -9.478 -11.307 -5.115 1.00 0.00 N ATOM 1278 NH2 ARG A 85 -9.411 -10.592 -7.259 1.00 0.00 N ATOM 0 H ARG A 85 -5.527 -7.970 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.349 -9.526 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.365 -8.250 -1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.555 -6.752 -2.380 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.785 -7.112 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.281 -7.902 -4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.234 -10.099 -3.963 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.751 -9.290 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.953 -8.785 -6.358 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -9.201 -11.199 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.081 -12.082 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.082 -9.926 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.014 -11.366 -7.537 1.00 0.00 H new ATOM 1292 N LEU A 86 -3.747 -6.647 -2.809 1.00 0.00 N ATOM 1293 CA LEU A 86 -2.739 -5.883 -3.522 1.00 0.00 C ATOM 1294 C LEU A 86 -1.424 -6.651 -3.583 1.00 0.00 C ATOM 1295 O LEU A 86 -0.739 -6.653 -4.597 1.00 0.00 O ATOM 1296 CB LEU A 86 -2.526 -4.538 -2.836 1.00 0.00 C ATOM 1297 CG LEU A 86 -1.456 -3.713 -3.606 1.00 0.00 C ATOM 1298 CD1 LEU A 86 -1.902 -2.253 -3.717 1.00 0.00 C ATOM 1299 CD2 LEU A 86 -0.114 -3.777 -2.861 1.00 0.00 C ATOM 0 H LEU A 86 -4.038 -6.245 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.088 -5.716 -4.541 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.465 -3.986 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.206 -4.692 -1.805 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.339 -4.133 -4.605 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.147 -1.682 -4.258 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.849 -2.202 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.028 -1.834 -2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.632 -3.197 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.234 -3.365 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.214 -4.814 -2.790 1.00 0.00 H new ATOM 1311 N ARG A 87 -1.085 -7.297 -2.483 1.00 0.00 N ATOM 1312 CA ARG A 87 0.150 -8.076 -2.410 1.00 0.00 C ATOM 1313 C ARG A 87 -0.005 -9.402 -3.136 1.00 0.00 C ATOM 1314 O ARG A 87 0.984 -10.064 -3.450 1.00 0.00 O ATOM 1315 CB ARG A 87 0.540 -8.301 -0.921 1.00 0.00 C ATOM 1316 CG ARG A 87 1.792 -7.482 -0.578 1.00 0.00 C ATOM 1317 CD ARG A 87 3.027 -8.132 -1.247 1.00 0.00 C ATOM 1318 NE ARG A 87 3.847 -7.109 -1.873 1.00 0.00 N ATOM 1319 CZ ARG A 87 4.888 -7.438 -2.629 1.00 0.00 C ATOM 1320 NH1 ARG A 87 5.183 -8.697 -2.817 1.00 0.00 N ATOM 1321 NH2 ARG A 87 5.611 -6.508 -3.189 1.00 0.00 N ATOM 0 H ARG A 87 -1.641 -7.302 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 87 0.948 -7.521 -2.903 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.285 -8.008 -0.272 1.00 0.00 H new ATOM 0 HB3 ARG A 87 0.727 -9.360 -0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.675 -6.455 -0.924 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.929 -7.441 0.503 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.611 -8.674 -0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.707 -8.860 -1.992 1.00 0.00 H new ATOM 0 HE ARG A 87 3.620 -6.125 -1.730 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.614 -9.424 -2.384 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.982 -8.952 -3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.377 -5.525 -3.047 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.410 -6.763 -3.769 1.00 0.00 H new ATOM 1335 N ARG A 88 -1.244 -9.789 -3.393 1.00 0.00 N ATOM 1336 CA ARG A 88 -1.501 -11.046 -4.075 1.00 0.00 C ATOM 1337 C ARG A 88 -0.880 -11.014 -5.470 1.00 0.00 C ATOM 1338 O ARG A 88 -0.019 -11.835 -5.796 1.00 0.00 O ATOM 1339 CB ARG A 88 -3.010 -11.268 -4.193 1.00 0.00 C ATOM 1340 CG ARG A 88 -3.281 -12.660 -4.763 1.00 0.00 C ATOM 1341 CD ARG A 88 -4.784 -12.844 -4.966 1.00 0.00 C ATOM 1342 NE ARG A 88 -5.473 -12.833 -3.679 1.00 0.00 N ATOM 1343 CZ ARG A 88 -6.796 -12.942 -3.610 1.00 0.00 C ATOM 1344 NH1 ARG A 88 -7.499 -13.062 -4.702 1.00 0.00 N ATOM 1345 NH2 ARG A 88 -7.390 -12.927 -2.449 1.00 0.00 N ATOM 0 H ARG A 88 -2.078 -9.258 -3.143 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.058 -11.861 -3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -3.480 -11.167 -3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.450 -10.508 -4.838 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.757 -12.785 -5.711 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.899 -13.423 -4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -5.172 -12.048 -5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.976 -13.785 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.931 -12.740 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.034 -13.072 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.514 -13.146 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.839 -12.832 -1.596 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.405 -13.011 -2.394 1.00 0.00 H new