USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 80 HIS : no HE2:sc= -2.25 X(o=-2.2,f=-2.6!) USER MOD Set 1.2: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 73 CYS SG : rot -38:sc= -1.2 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.855 K(o=-2.1,f=-5) USER MOD Set 3.1: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 89 SER OG : rot 160:sc= -0.777 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -2:sc= 1.1 USER MOD Single : A 21 CYS SG : rot -55:sc= -1.11 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.098) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0326 USER MOD Single : A 30 GLN : amide:sc= -0.988 X(o=-0.99,f=-0.74) USER MOD Single : A 32 LYS NZ :NH3+ 155:sc= 0.0782 (180deg=0.00435) USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.372) USER MOD Single : A 35 GLN : amide:sc= -0.314 X(o=-0.31,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.482 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -120:sc= -3.11! USER MOD Single : A 43 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.36) USER MOD Single : A 44 ASN : amide:sc= -3.58 K(o=-3.6,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 53 LYS NZ :NH3+ 165:sc= 0.0689 (180deg=0.0384) USER MOD Single : A 57 ASN : amide:sc= -6.2! C(o=-6.2!,f=-11!) USER MOD Single : A 63 THR OG1 : rot -25:sc= 0.167 USER MOD Single : A 64 SER OG : rot 41:sc= 0.146 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0646 K(o=-0.065,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -1.069 10.180 -10.160 1.00 0.00 N ATOM 162 CA PRO A 15 -2.238 9.639 -9.460 1.00 0.00 C ATOM 163 C PRO A 15 -1.964 8.271 -8.846 1.00 0.00 C ATOM 164 O PRO A 15 -2.855 7.649 -8.264 1.00 0.00 O ATOM 165 CB PRO A 15 -3.292 9.528 -10.565 1.00 0.00 C ATOM 166 CG PRO A 15 -2.508 9.397 -11.825 1.00 0.00 C ATOM 167 CD PRO A 15 -1.258 10.207 -11.620 1.00 0.00 C ATOM 0 HA PRO A 15 -2.541 10.270 -8.624 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.939 8.665 -10.410 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.935 10.408 -10.589 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.268 8.353 -12.029 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.077 9.766 -12.679 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.407 9.772 -12.143 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.374 11.225 -11.991 1.00 0.00 H new ATOM 175 N THR A 16 -0.726 7.805 -8.977 1.00 0.00 N ATOM 176 CA THR A 16 -0.335 6.510 -8.435 1.00 0.00 C ATOM 177 C THR A 16 0.888 6.637 -7.534 1.00 0.00 C ATOM 178 O THR A 16 1.805 7.406 -7.820 1.00 0.00 O ATOM 179 CB THR A 16 -0.028 5.500 -9.557 1.00 0.00 C ATOM 180 OG1 THR A 16 1.051 5.980 -10.366 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.255 5.268 -10.426 1.00 0.00 C ATOM 0 H THR A 16 0.024 8.306 -9.454 1.00 0.00 H new ATOM 0 HA THR A 16 -1.179 6.146 -7.849 1.00 0.00 H new ATOM 0 HB THR A 16 0.256 4.554 -9.097 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.241 5.332 -11.076 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.014 4.551 -11.211 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.066 4.876 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.565 6.211 -10.877 1.00 0.00 H new ATOM 189 N LEU A 17 0.896 5.878 -6.444 1.00 0.00 N ATOM 190 CA LEU A 17 2.008 5.905 -5.500 1.00 0.00 C ATOM 191 C LEU A 17 2.434 4.491 -5.119 1.00 0.00 C ATOM 192 O LEU A 17 1.608 3.610 -4.880 1.00 0.00 O ATOM 193 CB LEU A 17 1.618 6.689 -4.244 1.00 0.00 C ATOM 194 CG LEU A 17 1.037 8.079 -4.504 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.481 8.674 -3.219 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.093 8.995 -5.103 1.00 0.00 C ATOM 0 H LEU A 17 0.145 5.236 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 17 2.850 6.400 -5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.888 6.106 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.499 6.793 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 17 0.220 7.982 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.072 9.663 -3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.307 8.029 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.279 8.757 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.661 9.980 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.931 9.086 -4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.445 8.577 -6.046 1.00 0.00 H new ATOM 208 N PRO A 18 3.755 4.267 -5.062 1.00 0.00 N ATOM 209 CA PRO A 18 4.322 2.962 -4.711 1.00 0.00 C ATOM 210 C PRO A 18 4.099 2.609 -3.244 1.00 0.00 C ATOM 211 O PRO A 18 4.655 3.247 -2.350 1.00 0.00 O ATOM 212 CB PRO A 18 5.815 3.135 -4.999 1.00 0.00 C ATOM 213 CG PRO A 18 6.059 4.598 -4.870 1.00 0.00 C ATOM 214 CD PRO A 18 4.797 5.271 -5.335 1.00 0.00 C ATOM 0 HA PRO A 18 3.857 2.151 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.422 2.569 -4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.070 2.778 -5.997 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.287 4.866 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.911 4.906 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.613 6.199 -4.793 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.843 5.524 -6.394 1.00 0.00 H new ATOM 222 N VAL A 19 3.283 1.588 -3.003 1.00 0.00 N ATOM 223 CA VAL A 19 2.988 1.149 -1.645 1.00 0.00 C ATOM 224 C VAL A 19 3.507 -0.264 -1.399 1.00 0.00 C ATOM 225 O VAL A 19 3.567 -1.084 -2.315 1.00 0.00 O ATOM 226 CB VAL A 19 1.475 1.185 -1.359 1.00 0.00 C ATOM 227 CG1 VAL A 19 0.939 2.602 -1.495 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.735 0.235 -2.289 1.00 0.00 C ATOM 0 H VAL A 19 2.814 1.049 -3.731 1.00 0.00 H new ATOM 0 HA VAL A 19 3.494 1.841 -0.972 1.00 0.00 H new ATOM 0 HB VAL A 19 1.309 0.856 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.131 2.607 -1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.448 3.253 -0.785 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.115 2.962 -2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.333 0.273 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.907 0.531 -3.324 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.100 -0.781 -2.137 1.00 0.00 H new ATOM 238 N THR A 20 3.882 -0.542 -0.154 1.00 0.00 N ATOM 239 CA THR A 20 4.396 -1.855 0.213 1.00 0.00 C ATOM 240 C THR A 20 4.028 -2.208 1.650 1.00 0.00 C ATOM 241 O THR A 20 4.231 -1.410 2.566 1.00 0.00 O ATOM 242 CB THR A 20 5.927 -1.923 0.056 1.00 0.00 C ATOM 243 OG1 THR A 20 6.537 -0.805 0.712 1.00 0.00 O ATOM 244 CG2 THR A 20 6.320 -1.932 -1.413 1.00 0.00 C ATOM 0 H THR A 20 3.839 0.125 0.617 1.00 0.00 H new ATOM 0 HA THR A 20 3.936 -2.575 -0.464 1.00 0.00 H new ATOM 0 HB THR A 20 6.277 -2.848 0.515 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.841 -0.223 1.082 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.406 -1.980 -1.499 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.878 -2.800 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.958 -1.022 -1.892 1.00 0.00 H new ATOM 252 N CYS A 21 3.487 -3.406 1.840 1.00 0.00 N ATOM 253 CA CYS A 21 3.091 -3.864 3.167 1.00 0.00 C ATOM 254 C CYS A 21 3.743 -5.203 3.497 1.00 0.00 C ATOM 255 O CYS A 21 3.395 -6.233 2.922 1.00 0.00 O ATOM 256 CB CYS A 21 1.569 -3.989 3.252 1.00 0.00 C ATOM 257 SG CYS A 21 0.956 -4.429 4.895 1.00 0.00 S ATOM 0 H CYS A 21 3.313 -4.078 1.092 1.00 0.00 H new ATOM 0 HA CYS A 21 3.429 -3.127 3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.120 -3.043 2.950 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.236 -4.742 2.538 1.00 0.00 H new ATOM 0 HG CYS A 21 1.529 -5.526 5.292 1.00 0.00 H new ATOM 263 N GLY A 22 4.692 -5.179 4.428 1.00 0.00 N ATOM 264 CA GLY A 22 5.379 -6.397 4.817 1.00 0.00 C ATOM 265 C GLY A 22 6.055 -7.081 3.646 1.00 0.00 C ATOM 266 O GLY A 22 7.100 -6.632 3.173 1.00 0.00 O ATOM 0 H GLY A 22 4.997 -4.339 4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.125 -6.163 5.577 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.665 -7.084 5.272 1.00 0.00 H new ATOM 270 N LYS A 23 5.460 -8.172 3.176 1.00 0.00 N ATOM 271 CA LYS A 23 6.011 -8.921 2.053 1.00 0.00 C ATOM 272 C LYS A 23 5.183 -8.697 0.792 1.00 0.00 C ATOM 273 O LYS A 23 5.311 -9.435 -0.185 1.00 0.00 O ATOM 274 CB LYS A 23 6.060 -10.415 2.385 1.00 0.00 C ATOM 275 CG LYS A 23 4.707 -11.003 2.746 1.00 0.00 C ATOM 276 CD LYS A 23 4.646 -12.490 2.440 1.00 0.00 C ATOM 277 CE LYS A 23 5.429 -13.302 3.460 1.00 0.00 C ATOM 278 NZ LYS A 23 5.213 -14.765 3.287 1.00 0.00 N ATOM 0 H LYS A 23 4.595 -8.557 3.556 1.00 0.00 H new ATOM 0 HA LYS A 23 7.024 -8.562 1.870 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.465 -10.956 1.529 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.748 -10.572 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.509 -10.840 3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.924 -10.484 2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.607 -12.819 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.046 -12.674 1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.491 -13.078 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.130 -13.007 4.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.763 -15.284 4.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.203 -14.983 3.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.522 -15.051 2.336 1.00 0.00 H new ATOM 292 N ALA A 24 4.336 -7.673 0.819 1.00 0.00 N ATOM 293 CA ALA A 24 3.491 -7.350 -0.323 1.00 0.00 C ATOM 294 C ALA A 24 3.906 -6.027 -0.956 1.00 0.00 C ATOM 295 O ALA A 24 4.333 -5.102 -0.264 1.00 0.00 O ATOM 296 CB ALA A 24 2.030 -7.301 0.098 1.00 0.00 C ATOM 0 H ALA A 24 4.217 -7.053 1.620 1.00 0.00 H new ATOM 0 HA ALA A 24 3.616 -8.135 -1.069 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.410 -7.059 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.733 -8.271 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.898 -6.538 0.865 1.00 0.00 H new ATOM 302 N LYS A 25 3.779 -5.942 -2.276 1.00 0.00 N ATOM 303 CA LYS A 25 4.141 -4.731 -3.004 1.00 0.00 C ATOM 304 C LYS A 25 3.096 -4.402 -4.065 1.00 0.00 C ATOM 305 O LYS A 25 2.626 -5.284 -4.783 1.00 0.00 O ATOM 306 CB LYS A 25 5.514 -4.896 -3.659 1.00 0.00 C ATOM 307 CG LYS A 25 6.619 -5.241 -2.676 1.00 0.00 C ATOM 308 CD LYS A 25 7.934 -5.510 -3.388 1.00 0.00 C ATOM 309 CE LYS A 25 9.109 -5.466 -2.423 1.00 0.00 C ATOM 310 NZ LYS A 25 9.503 -4.069 -2.091 1.00 0.00 N ATOM 0 H LYS A 25 3.428 -6.698 -2.864 1.00 0.00 H new ATOM 0 HA LYS A 25 4.182 -3.907 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.455 -5.679 -4.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.774 -3.972 -4.176 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.748 -4.421 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.331 -6.119 -2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.895 -6.486 -3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.081 -4.771 -4.175 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.847 -5.997 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.959 -5.988 -2.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.428 -4.073 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.564 -3.509 -2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.792 -3.649 -1.459 1.00 0.00 H new ATOM 324 N GLY A 26 2.736 -3.125 -4.160 1.00 0.00 N ATOM 325 CA GLY A 26 1.750 -2.703 -5.137 1.00 0.00 C ATOM 326 C GLY A 26 1.810 -1.214 -5.415 1.00 0.00 C ATOM 327 O GLY A 26 2.862 -0.589 -5.272 1.00 0.00 O ATOM 0 H GLY A 26 3.110 -2.376 -3.578 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.907 -3.250 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.754 -2.963 -4.779 1.00 0.00 H new ATOM 331 N THR A 27 0.679 -0.642 -5.816 1.00 0.00 N ATOM 332 CA THR A 27 0.608 0.782 -6.118 1.00 0.00 C ATOM 333 C THR A 27 -0.780 1.339 -5.820 1.00 0.00 C ATOM 334 O THR A 27 -1.784 0.822 -6.308 1.00 0.00 O ATOM 335 CB THR A 27 0.956 1.062 -7.592 1.00 0.00 C ATOM 336 OG1 THR A 27 2.212 0.460 -7.922 1.00 0.00 O ATOM 337 CG2 THR A 27 1.019 2.559 -7.858 1.00 0.00 C ATOM 0 H THR A 27 -0.201 -1.144 -5.939 1.00 0.00 H new ATOM 0 HA THR A 27 1.340 1.277 -5.480 1.00 0.00 H new ATOM 0 HB THR A 27 0.173 0.631 -8.216 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.425 0.641 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.266 2.732 -8.905 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.052 3.009 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.784 3.009 -7.225 1.00 0.00 H new ATOM 345 N LEU A 28 -0.828 2.396 -5.016 1.00 0.00 N ATOM 346 CA LEU A 28 -2.094 3.023 -4.654 1.00 0.00 C ATOM 347 C LEU A 28 -2.492 4.079 -5.681 1.00 0.00 C ATOM 348 O LEU A 28 -1.663 4.876 -6.120 1.00 0.00 O ATOM 349 CB LEU A 28 -1.993 3.658 -3.265 1.00 0.00 C ATOM 350 CG LEU A 28 -3.135 4.608 -2.903 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.261 3.853 -2.214 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.628 5.736 -2.017 1.00 0.00 C ATOM 0 H LEU A 28 -0.006 2.836 -4.603 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.863 2.250 -4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.953 2.863 -2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.052 4.204 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.526 5.042 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.064 4.546 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.643 3.080 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.884 3.391 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.454 6.403 -1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.210 5.319 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.856 6.295 -2.546 1.00 0.00 H new ATOM 364 N PHE A 29 -3.766 4.078 -6.059 1.00 0.00 N ATOM 365 CA PHE A 29 -4.274 5.035 -7.035 1.00 0.00 C ATOM 366 C PHE A 29 -5.241 6.017 -6.381 1.00 0.00 C ATOM 367 O PHE A 29 -6.399 5.688 -6.128 1.00 0.00 O ATOM 368 CB PHE A 29 -4.972 4.302 -8.182 1.00 0.00 C ATOM 369 CG PHE A 29 -4.039 3.480 -9.025 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.302 2.451 -8.461 1.00 0.00 C ATOM 371 CD2 PHE A 29 -3.900 3.736 -10.379 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.442 1.693 -9.234 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.042 2.981 -11.157 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.313 1.958 -10.583 1.00 0.00 C ATOM 0 H PHE A 29 -4.465 3.425 -5.704 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.428 5.596 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.744 3.652 -7.771 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.474 5.032 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.400 2.239 -7.407 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.468 4.535 -10.832 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.872 0.894 -8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.942 3.191 -12.212 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.643 1.366 -11.189 1.00 0.00 H new ATOM 384 N GLN A 30 -4.755 7.224 -6.109 1.00 0.00 N ATOM 385 CA GLN A 30 -5.576 8.254 -5.483 1.00 0.00 C ATOM 386 C GLN A 30 -6.968 8.293 -6.104 1.00 0.00 C ATOM 387 O GLN A 30 -7.966 8.454 -5.402 1.00 0.00 O ATOM 388 CB GLN A 30 -4.905 9.623 -5.619 1.00 0.00 C ATOM 389 CG GLN A 30 -3.388 9.568 -5.539 1.00 0.00 C ATOM 390 CD GLN A 30 -2.770 10.922 -5.255 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.534 11.714 -6.169 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.503 11.197 -3.984 1.00 0.00 N ATOM 0 H GLN A 30 -3.798 7.512 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.677 8.010 -4.426 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.194 10.067 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.278 10.281 -4.834 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.094 8.868 -4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.992 9.182 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.715 10.512 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.086 12.093 -3.733 1.00 0.00 H new ATOM 401 N GLU A 31 -7.027 8.145 -7.424 1.00 0.00 N ATOM 402 CA GLU A 31 -8.298 8.164 -8.138 1.00 0.00 C ATOM 403 C GLU A 31 -9.218 7.053 -7.641 1.00 0.00 C ATOM 404 O GLU A 31 -10.413 7.267 -7.435 1.00 0.00 O ATOM 405 CB GLU A 31 -8.065 8.013 -9.643 1.00 0.00 C ATOM 406 CG GLU A 31 -9.278 7.497 -10.398 1.00 0.00 C ATOM 407 CD GLU A 31 -9.337 8.005 -11.825 1.00 0.00 C ATOM 408 OE1 GLU A 31 -9.469 9.233 -12.012 1.00 0.00 O ATOM 409 OE2 GLU A 31 -9.251 7.176 -12.755 1.00 0.00 O ATOM 0 H GLU A 31 -6.210 8.011 -8.020 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.779 9.123 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.775 8.979 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.229 7.332 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.260 6.407 -10.405 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.184 7.798 -9.872 1.00 0.00 H new ATOM 416 N LYS A 32 -8.654 5.866 -7.451 1.00 0.00 N ATOM 417 CA LYS A 32 -9.421 4.720 -6.977 1.00 0.00 C ATOM 418 C LYS A 32 -9.592 4.768 -5.462 1.00 0.00 C ATOM 419 O LYS A 32 -10.434 4.068 -4.900 1.00 0.00 O ATOM 420 CB LYS A 32 -8.731 3.415 -7.382 1.00 0.00 C ATOM 421 CG LYS A 32 -9.125 2.922 -8.763 1.00 0.00 C ATOM 422 CD LYS A 32 -8.002 2.133 -9.415 1.00 0.00 C ATOM 423 CE LYS A 32 -8.324 1.797 -10.863 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.185 0.587 -10.973 1.00 0.00 N ATOM 0 H LYS A 32 -7.667 5.672 -7.618 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.408 4.760 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.651 3.560 -7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.970 2.645 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.014 2.296 -8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.387 3.772 -9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.078 2.709 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.831 1.213 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.827 2.644 -11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.397 1.634 -11.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.720 0.622 -11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.589 -0.265 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.848 0.558 -10.172 1.00 0.00 H new ATOM 438 N LEU A 33 -8.789 5.600 -4.807 1.00 0.00 N ATOM 439 CA LEU A 33 -8.853 5.740 -3.356 1.00 0.00 C ATOM 440 C LEU A 33 -9.932 6.740 -2.954 1.00 0.00 C ATOM 441 O LEU A 33 -10.547 6.615 -1.894 1.00 0.00 O ATOM 442 CB LEU A 33 -7.496 6.187 -2.807 1.00 0.00 C ATOM 443 CG LEU A 33 -7.357 6.109 -1.287 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.563 4.683 -0.803 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.995 6.630 -0.850 1.00 0.00 C ATOM 0 H LEU A 33 -8.087 6.187 -5.257 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.107 4.769 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.718 5.573 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.315 7.215 -3.121 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.127 6.737 -0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.460 4.648 0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.560 4.344 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.817 4.033 -1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.913 6.567 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.211 6.028 -1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.885 7.668 -1.163 1.00 0.00 H new ATOM 457 N LYS A 34 -10.157 7.734 -3.806 1.00 0.00 N ATOM 458 CA LYS A 34 -11.162 8.757 -3.542 1.00 0.00 C ATOM 459 C LYS A 34 -12.532 8.127 -3.314 1.00 0.00 C ATOM 460 O LYS A 34 -13.252 8.504 -2.390 1.00 0.00 O ATOM 461 CB LYS A 34 -11.232 9.746 -4.707 1.00 0.00 C ATOM 462 CG LYS A 34 -10.085 10.742 -4.729 1.00 0.00 C ATOM 463 CD LYS A 34 -10.365 11.894 -5.680 1.00 0.00 C ATOM 464 CE LYS A 34 -9.943 11.557 -7.102 1.00 0.00 C ATOM 465 NZ LYS A 34 -11.046 10.917 -7.871 1.00 0.00 N ATOM 0 H LYS A 34 -9.656 7.853 -4.687 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.871 9.291 -2.637 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.238 9.190 -5.645 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.174 10.291 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.920 11.131 -3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.168 10.236 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.428 12.132 -5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.833 12.784 -5.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.625 12.467 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.082 10.888 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.902 11.082 -8.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.052 9.894 -7.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.956 11.327 -7.579 1.00 0.00 H new ATOM 479 N GLN A 35 -12.885 7.164 -4.160 1.00 0.00 N ATOM 480 CA GLN A 35 -14.168 6.482 -4.049 1.00 0.00 C ATOM 481 C GLN A 35 -14.359 5.904 -2.651 1.00 0.00 C ATOM 482 O GLN A 35 -15.415 6.062 -2.041 1.00 0.00 O ATOM 483 CB GLN A 35 -14.270 5.368 -5.093 1.00 0.00 C ATOM 484 CG GLN A 35 -13.935 5.824 -6.504 1.00 0.00 C ATOM 485 CD GLN A 35 -14.072 4.711 -7.524 1.00 0.00 C ATOM 486 OE1 GLN A 35 -13.180 4.492 -8.344 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.193 4.001 -7.479 1.00 0.00 N ATOM 0 H GLN A 35 -12.300 6.839 -4.930 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.956 7.213 -4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.598 4.557 -4.813 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.282 4.962 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.592 6.649 -6.781 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.915 6.208 -6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.906 4.217 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.341 3.239 -8.141 1.00 0.00 H new ATOM 496 N GLY A 36 -13.327 5.233 -2.148 1.00 0.00 N ATOM 497 CA GLY A 36 -13.401 4.641 -0.825 1.00 0.00 C ATOM 498 C GLY A 36 -12.305 3.622 -0.583 1.00 0.00 C ATOM 499 O GLY A 36 -12.134 2.687 -1.365 1.00 0.00 O ATOM 0 H GLY A 36 -12.441 5.089 -2.633 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.333 5.428 -0.074 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.372 4.162 -0.698 1.00 0.00 H new ATOM 503 N ALA A 37 -11.560 3.803 0.502 1.00 0.00 N ATOM 504 CA ALA A 37 -10.475 2.892 0.845 1.00 0.00 C ATOM 505 C ALA A 37 -10.901 1.439 0.664 1.00 0.00 C ATOM 506 O ALA A 37 -10.100 0.591 0.271 1.00 0.00 O ATOM 507 CB ALA A 37 -10.012 3.135 2.273 1.00 0.00 C ATOM 0 H ALA A 37 -11.688 4.573 1.159 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.643 3.086 0.168 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.202 2.447 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.658 4.161 2.371 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.844 2.971 2.958 1.00 0.00 H new ATOM 513 N SER A 38 -12.167 1.158 0.955 1.00 0.00 N ATOM 514 CA SER A 38 -12.698 -0.194 0.830 1.00 0.00 C ATOM 515 C SER A 38 -12.543 -0.709 -0.598 1.00 0.00 C ATOM 516 O SER A 38 -12.244 -1.882 -0.819 1.00 0.00 O ATOM 517 CB SER A 38 -14.172 -0.226 1.238 1.00 0.00 C ATOM 518 OG SER A 38 -14.990 0.363 0.241 1.00 0.00 O ATOM 0 H SER A 38 -12.844 1.849 1.279 1.00 0.00 H new ATOM 0 HA SER A 38 -12.130 -0.843 1.496 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.484 -1.257 1.406 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.303 0.305 2.181 1.00 0.00 H new ATOM 0 HG SER A 38 -15.927 0.329 0.525 1.00 0.00 H new ATOM 524 N LYS A 39 -12.749 0.179 -1.565 1.00 0.00 N ATOM 525 CA LYS A 39 -12.631 -0.182 -2.973 1.00 0.00 C ATOM 526 C LYS A 39 -11.191 -0.545 -3.323 1.00 0.00 C ATOM 527 O LYS A 39 -10.246 0.030 -2.783 1.00 0.00 O ATOM 528 CB LYS A 39 -13.107 0.972 -3.858 1.00 0.00 C ATOM 529 CG LYS A 39 -14.576 1.313 -3.675 1.00 0.00 C ATOM 530 CD LYS A 39 -14.779 2.318 -2.553 1.00 0.00 C ATOM 531 CE LYS A 39 -16.105 3.050 -2.695 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.266 2.141 -2.485 1.00 0.00 N ATOM 0 H LYS A 39 -12.999 1.154 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.261 -1.053 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.508 1.856 -3.641 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.930 0.715 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.975 1.719 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.137 0.404 -3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.747 1.804 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.962 3.039 -2.556 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.148 3.866 -1.974 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.169 3.497 -3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.151 2.678 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.240 1.376 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.220 1.734 -1.529 1.00 0.00 H new ATOM 546 N LYS A 40 -11.031 -1.501 -4.232 1.00 0.00 N ATOM 547 CA LYS A 40 -9.707 -1.939 -4.657 1.00 0.00 C ATOM 548 C LYS A 40 -8.960 -0.810 -5.358 1.00 0.00 C ATOM 549 O LYS A 40 -9.277 -0.454 -6.494 1.00 0.00 O ATOM 550 CB LYS A 40 -9.822 -3.146 -5.591 1.00 0.00 C ATOM 551 CG LYS A 40 -10.764 -4.223 -5.080 1.00 0.00 C ATOM 552 CD LYS A 40 -10.018 -5.290 -4.297 1.00 0.00 C ATOM 553 CE LYS A 40 -10.895 -6.505 -4.037 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.850 -7.474 -5.166 1.00 0.00 N ATOM 0 H LYS A 40 -11.803 -1.987 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.144 -2.227 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.167 -2.807 -6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.832 -3.579 -5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.526 -3.770 -4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.282 -4.683 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.129 -5.593 -4.849 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.678 -4.876 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.569 -6.999 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.924 -6.182 -3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.461 -8.288 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.185 -7.011 -6.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.873 -7.802 -5.303 1.00 0.00 H new ATOM 568 N CYS A 41 -7.966 -0.251 -4.676 1.00 0.00 N ATOM 569 CA CYS A 41 -7.173 0.838 -5.235 1.00 0.00 C ATOM 570 C CYS A 41 -5.709 0.431 -5.371 1.00 0.00 C ATOM 571 O CYS A 41 -4.967 1.005 -6.167 1.00 0.00 O ATOM 572 CB CYS A 41 -7.289 2.084 -4.356 1.00 0.00 C ATOM 573 SG CYS A 41 -6.834 1.813 -2.627 1.00 0.00 S ATOM 0 H CYS A 41 -7.690 -0.534 -3.736 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.562 1.065 -6.228 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.654 2.867 -4.769 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.315 2.451 -4.397 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.850 2.086 -1.863 1.00 0.00 H new ATOM 579 N ILE A 42 -5.302 -0.562 -4.587 1.00 0.00 N ATOM 580 CA ILE A 42 -3.927 -1.045 -4.620 1.00 0.00 C ATOM 581 C ILE A 42 -3.766 -2.175 -5.631 1.00 0.00 C ATOM 582 O ILE A 42 -4.317 -3.261 -5.454 1.00 0.00 O ATOM 583 CB ILE A 42 -3.472 -1.541 -3.235 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.468 -0.386 -2.231 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.092 -2.174 -3.327 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.318 -0.835 -0.794 1.00 0.00 C ATOM 0 H ILE A 42 -5.904 -1.047 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.303 -0.203 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.175 -2.297 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.654 0.296 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.396 0.176 -2.333 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.784 -2.520 -2.340 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.125 -3.020 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.377 -1.437 -3.693 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.323 0.036 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.146 -1.493 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.376 -1.372 -0.677 1.00 0.00 H new ATOM 598 N GLN A 43 -3.005 -1.912 -6.688 1.00 0.00 N ATOM 599 CA GLN A 43 -2.770 -2.908 -7.727 1.00 0.00 C ATOM 600 C GLN A 43 -1.411 -3.575 -7.544 1.00 0.00 C ATOM 601 O GLN A 43 -0.377 -2.908 -7.545 1.00 0.00 O ATOM 602 CB GLN A 43 -2.853 -2.262 -9.111 1.00 0.00 C ATOM 603 CG GLN A 43 -3.152 -3.251 -10.227 1.00 0.00 C ATOM 604 CD GLN A 43 -3.119 -2.608 -11.599 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.227 -1.818 -11.906 1.00 0.00 O ATOM 606 NE2 GLN A 43 -4.095 -2.946 -12.434 1.00 0.00 N ATOM 0 H GLN A 43 -2.541 -1.018 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.543 -3.672 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.628 -1.495 -9.099 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.910 -1.759 -9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.425 -4.063 -10.193 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.134 -3.695 -10.061 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.815 -3.605 -12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.125 -2.546 -13.372 1.00 0.00 H new ATOM 615 N ASN A 44 -1.420 -4.894 -7.387 1.00 0.00 N ATOM 616 CA ASN A 44 -0.187 -5.651 -7.203 1.00 0.00 C ATOM 617 C ASN A 44 0.562 -5.801 -8.523 1.00 0.00 C ATOM 618 O ASN A 44 0.060 -5.418 -9.579 1.00 0.00 O ATOM 619 CB ASN A 44 -0.494 -7.031 -6.617 1.00 0.00 C ATOM 620 CG ASN A 44 -1.308 -7.892 -7.563 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.639 -7.474 -8.673 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.637 -9.102 -7.127 1.00 0.00 N ATOM 0 H ASN A 44 -2.268 -5.461 -7.383 1.00 0.00 H new ATOM 0 HA ASN A 44 0.447 -5.101 -6.507 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.441 -7.539 -6.381 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.037 -6.912 -5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.185 -9.726 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.341 -9.408 -6.200 1.00 0.00 H new ATOM 629 N GLU A 45 1.765 -6.362 -8.455 1.00 0.00 N ATOM 630 CA GLU A 45 2.583 -6.563 -9.645 1.00 0.00 C ATOM 631 C GLU A 45 1.857 -7.440 -10.662 1.00 0.00 C ATOM 632 O GLU A 45 2.135 -7.379 -11.859 1.00 0.00 O ATOM 633 CB GLU A 45 3.922 -7.200 -9.270 1.00 0.00 C ATOM 634 CG GLU A 45 4.698 -6.415 -8.226 1.00 0.00 C ATOM 635 CD GLU A 45 5.627 -5.387 -8.841 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.200 -5.672 -9.914 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.782 -4.298 -8.250 1.00 0.00 O ATOM 0 H GLU A 45 2.195 -6.685 -7.588 1.00 0.00 H new ATOM 0 HA GLU A 45 2.767 -5.588 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.743 -8.208 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.533 -7.297 -10.168 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.997 -5.913 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.280 -7.106 -7.616 1.00 0.00 H new ATOM 644 N ALA A 46 0.927 -8.254 -10.175 1.00 0.00 N ATOM 645 CA ALA A 46 0.160 -9.142 -11.040 1.00 0.00 C ATOM 646 C ALA A 46 -0.980 -8.394 -11.723 1.00 0.00 C ATOM 647 O ALA A 46 -1.602 -8.906 -12.653 1.00 0.00 O ATOM 648 CB ALA A 46 -0.381 -10.319 -10.242 1.00 0.00 C ATOM 0 H ALA A 46 0.686 -8.317 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 46 0.827 -9.519 -11.815 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.952 -10.974 -10.901 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.449 -10.876 -9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.028 -9.952 -9.446 1.00 0.00 H new ATOM 654 N GLY A 47 -1.248 -7.179 -11.255 1.00 0.00 N ATOM 655 CA GLY A 47 -2.314 -6.381 -11.832 1.00 0.00 C ATOM 656 C GLY A 47 -3.603 -6.474 -11.039 1.00 0.00 C ATOM 657 O GLY A 47 -4.476 -5.615 -11.158 1.00 0.00 O ATOM 0 H GLY A 47 -0.746 -6.733 -10.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.997 -5.339 -11.883 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.496 -6.709 -12.855 1.00 0.00 H new ATOM 661 N ASP A 48 -3.723 -7.521 -10.230 1.00 0.00 N ATOM 662 CA ASP A 48 -4.915 -7.725 -9.415 1.00 0.00 C ATOM 663 C ASP A 48 -5.024 -6.653 -8.335 1.00 0.00 C ATOM 664 O ASP A 48 -4.149 -6.532 -7.477 1.00 0.00 O ATOM 665 CB ASP A 48 -4.889 -9.113 -8.774 1.00 0.00 C ATOM 666 CG ASP A 48 -4.947 -10.226 -9.801 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.680 -10.074 -10.800 1.00 0.00 O ATOM 668 OD2 ASP A 48 -4.260 -11.251 -9.605 1.00 0.00 O ATOM 0 H ASP A 48 -3.009 -8.242 -10.121 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.787 -7.651 -10.065 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.982 -9.218 -8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.732 -9.210 -8.090 1.00 0.00 H new ATOM 673 N TRP A 49 -6.102 -5.879 -8.384 1.00 0.00 N ATOM 674 CA TRP A 49 -6.324 -4.817 -7.409 1.00 0.00 C ATOM 675 C TRP A 49 -6.701 -5.395 -6.050 1.00 0.00 C ATOM 676 O TRP A 49 -7.231 -6.502 -5.961 1.00 0.00 O ATOM 677 CB TRP A 49 -7.423 -3.871 -7.897 1.00 0.00 C ATOM 678 CG TRP A 49 -7.095 -3.199 -9.196 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.255 -3.717 -10.450 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.550 -1.887 -9.369 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.842 -2.806 -11.391 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.406 -1.675 -10.754 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.171 -0.870 -8.489 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.898 -0.488 -11.276 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.667 0.307 -9.008 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.535 0.491 -10.391 1.00 0.00 C ATOM 0 H TRP A 49 -6.835 -5.966 -9.087 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.395 -4.258 -7.300 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.351 -4.432 -8.010 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.601 -3.110 -7.137 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.648 -4.699 -10.669 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.858 -2.949 -12.401 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.270 -1.002 -7.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.794 -0.345 -12.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.370 1.099 -8.336 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.139 1.423 -10.766 1.00 0.00 H new ATOM 697 N LEU A 50 -6.424 -4.639 -4.993 1.00 0.00 N ATOM 698 CA LEU A 50 -6.734 -5.078 -3.637 1.00 0.00 C ATOM 699 C LEU A 50 -7.183 -3.903 -2.775 1.00 0.00 C ATOM 700 O LEU A 50 -6.677 -2.788 -2.910 1.00 0.00 O ATOM 701 CB LEU A 50 -5.514 -5.752 -3.005 1.00 0.00 C ATOM 702 CG LEU A 50 -4.914 -6.898 -3.820 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.417 -7.003 -3.574 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.604 -8.211 -3.481 1.00 0.00 C ATOM 0 H LEU A 50 -5.986 -3.720 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.550 -5.798 -3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.743 -4.998 -2.845 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.796 -6.133 -2.023 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.074 -6.688 -4.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.008 -7.824 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.934 -6.071 -3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.234 -7.189 -2.516 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.164 -9.016 -4.070 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.476 -8.426 -2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.667 -8.133 -3.709 1.00 0.00 H new ATOM 716 N THR A 51 -8.138 -4.159 -1.886 1.00 0.00 N ATOM 717 CA THR A 51 -8.657 -3.124 -1.001 1.00 0.00 C ATOM 718 C THR A 51 -7.642 -2.760 0.076 1.00 0.00 C ATOM 719 O THR A 51 -6.893 -3.614 0.551 1.00 0.00 O ATOM 720 CB THR A 51 -9.969 -3.568 -0.326 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.690 -4.525 0.702 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.924 -4.172 -1.344 1.00 0.00 C ATOM 0 H THR A 51 -8.568 -5.075 -1.760 1.00 0.00 H new ATOM 0 HA THR A 51 -8.854 -2.249 -1.620 1.00 0.00 H new ATOM 0 HB THR A 51 -10.442 -2.690 0.114 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.528 -4.801 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.843 -4.478 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.156 -3.431 -2.109 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.458 -5.040 -1.810 1.00 0.00 H new ATOM 730 N VAL A 52 -7.622 -1.487 0.458 1.00 0.00 N ATOM 731 CA VAL A 52 -6.699 -1.011 1.482 1.00 0.00 C ATOM 732 C VAL A 52 -6.455 -2.079 2.542 1.00 0.00 C ATOM 733 O VAL A 52 -5.368 -2.166 3.114 1.00 0.00 O ATOM 734 CB VAL A 52 -7.227 0.264 2.165 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.311 0.677 3.307 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.372 1.390 1.152 1.00 0.00 C ATOM 0 H VAL A 52 -8.234 -0.767 0.074 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.760 -0.782 0.979 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.212 0.051 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.700 1.580 3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.264 -0.125 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.311 0.872 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.746 2.283 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.401 1.604 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.072 1.090 0.373 1.00 0.00 H new ATOM 746 N LYS A 53 -7.474 -2.891 2.801 1.00 0.00 N ATOM 747 CA LYS A 53 -7.373 -3.956 3.791 1.00 0.00 C ATOM 748 C LYS A 53 -6.697 -5.188 3.198 1.00 0.00 C ATOM 749 O LYS A 53 -5.662 -5.636 3.690 1.00 0.00 O ATOM 750 CB LYS A 53 -8.761 -4.326 4.317 1.00 0.00 C ATOM 751 CG LYS A 53 -8.758 -4.809 5.757 1.00 0.00 C ATOM 752 CD LYS A 53 -9.013 -3.668 6.728 1.00 0.00 C ATOM 753 CE LYS A 53 -7.773 -2.809 6.918 1.00 0.00 C ATOM 754 NZ LYS A 53 -7.988 -1.739 7.931 1.00 0.00 N ATOM 0 H LYS A 53 -8.381 -2.831 2.338 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.764 -3.592 4.618 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.414 -3.457 4.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.185 -5.104 3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.522 -5.576 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.798 -5.274 5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.831 -3.050 6.358 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.328 -4.072 7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.939 -3.439 7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.495 -2.357 5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.070 -1.343 8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.577 -0.986 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.468 -2.139 8.762 1.00 0.00 H new ATOM 768 N GLU A 54 -7.289 -5.730 2.139 1.00 0.00 N ATOM 769 CA GLU A 54 -6.743 -6.910 1.479 1.00 0.00 C ATOM 770 C GLU A 54 -5.224 -6.815 1.364 1.00 0.00 C ATOM 771 O GLU A 54 -4.497 -7.664 1.879 1.00 0.00 O ATOM 772 CB GLU A 54 -7.361 -7.078 0.090 1.00 0.00 C ATOM 773 CG GLU A 54 -8.740 -7.716 0.110 1.00 0.00 C ATOM 774 CD GLU A 54 -9.064 -8.446 -1.178 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.127 -8.976 -1.811 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.254 -8.488 -1.554 1.00 0.00 O ATOM 0 H GLU A 54 -8.147 -5.371 1.720 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.991 -7.781 2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.429 -6.101 -0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.697 -7.688 -0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.801 -8.415 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.490 -6.945 0.285 1.00 0.00 H new ATOM 783 N PHE A 55 -4.753 -5.775 0.684 1.00 0.00 N ATOM 784 CA PHE A 55 -3.321 -5.569 0.498 1.00 0.00 C ATOM 785 C PHE A 55 -2.548 -5.966 1.752 1.00 0.00 C ATOM 786 O PHE A 55 -1.544 -6.674 1.677 1.00 0.00 O ATOM 787 CB PHE A 55 -3.036 -4.106 0.152 1.00 0.00 C ATOM 788 CG PHE A 55 -1.597 -3.839 -0.185 1.00 0.00 C ATOM 789 CD1 PHE A 55 -0.955 -4.573 -1.169 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.887 -2.854 0.482 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.370 -4.330 -1.482 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.438 -2.606 0.173 1.00 0.00 C ATOM 793 CZ PHE A 55 1.067 -3.346 -0.809 1.00 0.00 C ATOM 0 H PHE A 55 -5.341 -5.062 0.253 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.992 -6.201 -0.327 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.659 -3.813 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.326 -3.479 0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.496 -5.344 -1.698 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.374 -2.273 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.859 -4.909 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.980 -1.834 0.699 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.102 -3.155 -1.050 1.00 0.00 H new ATOM 803 N LEU A 56 -3.022 -5.505 2.904 1.00 0.00 N ATOM 804 CA LEU A 56 -2.376 -5.810 4.175 1.00 0.00 C ATOM 805 C LEU A 56 -2.354 -7.315 4.426 1.00 0.00 C ATOM 806 O LEU A 56 -1.303 -7.895 4.694 1.00 0.00 O ATOM 807 CB LEU A 56 -3.098 -5.100 5.322 1.00 0.00 C ATOM 808 CG LEU A 56 -3.516 -3.659 5.029 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.204 -3.046 6.239 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.309 -2.827 4.623 1.00 0.00 C ATOM 0 H LEU A 56 -3.852 -4.918 2.984 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.347 -5.452 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.987 -5.674 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.449 -5.103 6.197 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.223 -3.668 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.494 -2.020 6.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.092 -3.628 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.520 -3.050 7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.625 -1.804 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.579 -2.826 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.858 -3.254 3.727 1.00 0.00 H new ATOM 822 N ASN A 57 -3.524 -7.940 4.338 1.00 0.00 N ATOM 823 CA ASN A 57 -3.640 -9.377 4.557 1.00 0.00 C ATOM 824 C ASN A 57 -2.572 -10.135 3.773 1.00 0.00 C ATOM 825 O ASN A 57 -1.996 -11.104 4.267 1.00 0.00 O ATOM 826 CB ASN A 57 -5.031 -9.866 4.148 1.00 0.00 C ATOM 827 CG ASN A 57 -6.098 -9.478 5.154 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.144 -8.339 5.619 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.963 -10.427 5.494 1.00 0.00 N ATOM 0 H ASN A 57 -4.404 -7.474 4.117 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.492 -9.570 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.287 -9.452 3.173 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.015 -10.950 4.039 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.703 -10.225 6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.887 -11.357 5.083 1.00 0.00 H new ATOM 836 N GLU A 58 -2.314 -9.686 2.549 1.00 0.00 N ATOM 837 CA GLU A 58 -1.316 -10.322 1.697 1.00 0.00 C ATOM 838 C GLU A 58 0.054 -10.319 2.370 1.00 0.00 C ATOM 839 O GLU A 58 0.846 -11.244 2.192 1.00 0.00 O ATOM 840 CB GLU A 58 -1.235 -9.606 0.347 1.00 0.00 C ATOM 841 CG GLU A 58 -2.147 -10.201 -0.713 1.00 0.00 C ATOM 842 CD GLU A 58 -1.582 -10.061 -2.113 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.411 -8.912 -2.571 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.312 -11.100 -2.751 1.00 0.00 O ATOM 0 H GLU A 58 -2.782 -8.885 2.125 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.620 -11.356 1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.491 -8.556 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.206 -9.639 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.311 -11.256 -0.495 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.120 -9.711 -0.667 1.00 0.00 H new ATOM 851 N GLY A 59 0.325 -9.273 3.143 1.00 0.00 N ATOM 852 CA GLY A 59 1.600 -9.168 3.830 1.00 0.00 C ATOM 853 C GLY A 59 1.645 -9.999 5.097 1.00 0.00 C ATOM 854 O GLY A 59 2.679 -10.572 5.436 1.00 0.00 O ATOM 0 H GLY A 59 -0.315 -8.496 3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.398 -9.489 3.160 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.791 -8.124 4.077 1.00 0.00 H new ATOM 858 N GLY A 60 0.519 -10.064 5.802 1.00 0.00 N ATOM 859 CA GLY A 60 0.456 -10.831 7.032 1.00 0.00 C ATOM 860 C GLY A 60 -0.216 -10.069 8.157 1.00 0.00 C ATOM 861 O GLY A 60 -0.204 -10.508 9.307 1.00 0.00 O ATOM 0 H GLY A 60 -0.351 -9.599 5.543 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.087 -11.759 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.466 -11.107 7.337 1.00 0.00 H new ATOM 865 N ARG A 61 -0.802 -8.923 7.826 1.00 0.00 N ATOM 866 CA ARG A 61 -1.480 -8.097 8.818 1.00 0.00 C ATOM 867 C ARG A 61 -2.860 -7.674 8.322 1.00 0.00 C ATOM 868 O ARG A 61 -2.984 -6.762 7.505 1.00 0.00 O ATOM 869 CB ARG A 61 -0.640 -6.859 9.141 1.00 0.00 C ATOM 870 CG ARG A 61 0.442 -7.111 10.177 1.00 0.00 C ATOM 871 CD ARG A 61 0.971 -5.809 10.758 1.00 0.00 C ATOM 872 NE ARG A 61 0.241 -5.409 11.959 1.00 0.00 N ATOM 873 CZ ARG A 61 0.526 -5.859 13.176 1.00 0.00 C ATOM 874 NH1 ARG A 61 1.519 -6.719 13.353 1.00 0.00 N ATOM 875 NH2 ARG A 61 -0.184 -5.448 14.219 1.00 0.00 N ATOM 0 H ARG A 61 -0.821 -8.545 6.879 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.605 -8.690 9.724 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.176 -6.496 8.224 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.298 -6.068 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.042 -7.732 10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.261 -7.667 9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.028 -5.922 10.997 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.896 -5.021 10.009 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.529 -4.748 11.857 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.067 -7.037 12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.735 -7.063 14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.949 -4.786 14.086 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.035 -5.794 15.153 1.00 0.00 H new ATOM 889 N ALA A 62 -3.893 -8.343 8.822 1.00 0.00 N ATOM 890 CA ALA A 62 -5.263 -8.036 8.432 1.00 0.00 C ATOM 891 C ALA A 62 -5.979 -7.242 9.519 1.00 0.00 C ATOM 892 O ALA A 62 -6.766 -6.340 9.229 1.00 0.00 O ATOM 893 CB ALA A 62 -6.024 -9.317 8.123 1.00 0.00 C ATOM 0 H ALA A 62 -3.807 -9.102 9.498 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.229 -7.421 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.046 -9.072 7.833 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.532 -9.845 7.306 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.040 -9.953 9.008 1.00 0.00 H new ATOM 899 N THR A 63 -5.702 -7.584 10.774 1.00 0.00 N ATOM 900 CA THR A 63 -6.321 -6.905 11.905 1.00 0.00 C ATOM 901 C THR A 63 -5.814 -5.472 12.031 1.00 0.00 C ATOM 902 O THR A 63 -6.433 -4.641 12.696 1.00 0.00 O ATOM 903 CB THR A 63 -6.050 -7.651 13.225 1.00 0.00 C ATOM 904 OG1 THR A 63 -6.751 -7.015 14.300 1.00 0.00 O ATOM 905 CG2 THR A 63 -4.560 -7.683 13.533 1.00 0.00 C ATOM 0 H THR A 63 -5.053 -8.327 11.032 1.00 0.00 H new ATOM 0 HA THR A 63 -7.395 -6.893 11.717 1.00 0.00 H new ATOM 0 HB THR A 63 -6.404 -8.676 13.117 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.912 -6.075 14.075 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.393 -8.215 14.470 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.033 -8.194 12.727 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.185 -6.663 13.623 1.00 0.00 H new ATOM 913 N SER A 64 -4.686 -5.190 11.388 1.00 0.00 N ATOM 914 CA SER A 64 -4.095 -3.858 11.430 1.00 0.00 C ATOM 915 C SER A 64 -5.122 -2.795 11.051 1.00 0.00 C ATOM 916 O SER A 64 -5.506 -2.673 9.887 1.00 0.00 O ATOM 917 CB SER A 64 -2.892 -3.781 10.488 1.00 0.00 C ATOM 918 OG SER A 64 -3.214 -4.294 9.207 1.00 0.00 O ATOM 0 H SER A 64 -4.163 -5.866 10.832 1.00 0.00 H new ATOM 0 HA SER A 64 -3.761 -3.668 12.450 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.563 -2.746 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.059 -4.344 10.910 1.00 0.00 H new ATOM 0 HG SER A 64 -4.114 -4.000 8.954 1.00 0.00 H new ATOM 924 N LYS A 65 -5.563 -2.028 12.041 1.00 0.00 N ATOM 925 CA LYS A 65 -6.544 -0.974 11.814 1.00 0.00 C ATOM 926 C LYS A 65 -5.996 0.084 10.861 1.00 0.00 C ATOM 927 O LYS A 65 -6.465 0.217 9.731 1.00 0.00 O ATOM 928 CB LYS A 65 -6.941 -0.323 13.142 1.00 0.00 C ATOM 929 CG LYS A 65 -7.592 -1.285 14.120 1.00 0.00 C ATOM 930 CD LYS A 65 -9.100 -1.332 13.935 1.00 0.00 C ATOM 931 CE LYS A 65 -9.742 -2.361 14.853 1.00 0.00 C ATOM 932 NZ LYS A 65 -11.137 -1.986 15.216 1.00 0.00 N ATOM 0 H LYS A 65 -5.256 -2.116 13.010 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.426 -1.425 11.359 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.053 0.108 13.605 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.628 0.500 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.176 -2.283 13.982 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.359 -0.981 15.141 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.523 -0.348 14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.333 -1.572 12.898 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.743 -3.335 14.363 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.145 -2.462 15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.540 -2.712 15.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.134 -1.069 15.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.713 -1.915 14.353 1.00 0.00 H new ATOM 946 N ASP A 66 -5.001 0.832 11.324 1.00 0.00 N ATOM 947 CA ASP A 66 -4.388 1.876 10.512 1.00 0.00 C ATOM 948 C ASP A 66 -3.543 1.270 9.395 1.00 0.00 C ATOM 949 O ASP A 66 -2.470 0.721 9.644 1.00 0.00 O ATOM 950 CB ASP A 66 -3.523 2.789 11.383 1.00 0.00 C ATOM 951 CG ASP A 66 -2.507 2.016 12.201 1.00 0.00 C ATOM 952 OD1 ASP A 66 -2.925 1.233 13.081 1.00 0.00 O ATOM 953 OD2 ASP A 66 -1.295 2.192 11.961 1.00 0.00 O ATOM 0 H ASP A 66 -4.602 0.735 12.258 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.186 2.466 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.004 3.507 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.164 3.362 12.053 1.00 0.00 H new ATOM 958 N TRP A 67 -4.036 1.372 8.166 1.00 0.00 N ATOM 959 CA TRP A 67 -3.327 0.833 7.011 1.00 0.00 C ATOM 960 C TRP A 67 -2.172 1.743 6.608 1.00 0.00 C ATOM 961 O TRP A 67 -1.120 1.273 6.175 1.00 0.00 O ATOM 962 CB TRP A 67 -4.288 0.655 5.835 1.00 0.00 C ATOM 963 CG TRP A 67 -5.131 1.865 5.567 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.277 2.225 6.216 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.893 2.873 4.579 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.767 3.396 5.690 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.936 3.814 4.685 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.900 3.073 3.616 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.012 4.936 3.864 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.978 4.187 2.801 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.027 5.107 2.930 1.00 0.00 C ATOM 0 H TRP A 67 -4.924 1.823 7.944 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.919 -0.139 7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.714 0.415 4.940 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.940 -0.196 6.033 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.732 1.671 7.024 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.613 3.876 5.998 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.087 2.370 3.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.820 5.646 3.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.217 4.351 2.052 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.059 5.968 2.279 1.00 0.00 H new ATOM 982 N LYS A 68 -2.375 3.048 6.752 1.00 0.00 N ATOM 983 CA LYS A 68 -1.351 4.025 6.403 1.00 0.00 C ATOM 984 C LYS A 68 -0.086 3.804 7.227 1.00 0.00 C ATOM 985 O LYS A 68 0.995 4.260 6.856 1.00 0.00 O ATOM 986 CB LYS A 68 -1.875 5.446 6.626 1.00 0.00 C ATOM 987 CG LYS A 68 -3.118 5.769 5.815 1.00 0.00 C ATOM 988 CD LYS A 68 -3.899 6.920 6.427 1.00 0.00 C ATOM 989 CE LYS A 68 -5.331 6.955 5.918 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.053 8.175 6.374 1.00 0.00 N ATOM 0 H LYS A 68 -3.240 3.454 7.108 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.105 3.896 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.097 5.581 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.090 6.158 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.832 6.024 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.755 4.886 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.900 6.824 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.405 7.862 6.191 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.330 6.920 4.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.861 6.068 6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.026 8.161 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.077 8.196 7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.562 9.021 6.022 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.229 3.100 8.345 1.00 0.00 N ATOM 1005 CA GLY A 69 0.911 2.829 9.202 1.00 0.00 C ATOM 1006 C GLY A 69 1.671 1.587 8.781 1.00 0.00 C ATOM 1007 O GLY A 69 2.900 1.598 8.706 1.00 0.00 O ATOM 0 H GLY A 69 -1.114 2.712 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.585 3.686 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.569 2.711 10.230 1.00 0.00 H new ATOM 1011 N VAL A 70 0.940 0.512 8.507 1.00 0.00 N ATOM 1012 CA VAL A 70 1.553 -0.744 8.092 1.00 0.00 C ATOM 1013 C VAL A 70 2.100 -0.646 6.672 1.00 0.00 C ATOM 1014 O VAL A 70 3.073 -1.316 6.323 1.00 0.00 O ATOM 1015 CB VAL A 70 0.548 -1.909 8.163 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.068 -2.114 9.592 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.626 -1.658 7.229 1.00 0.00 C ATOM 0 H VAL A 70 -0.078 0.485 8.565 1.00 0.00 H new ATOM 0 HA VAL A 70 2.374 -0.939 8.782 1.00 0.00 H new ATOM 0 HB VAL A 70 1.052 -2.820 7.840 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.641 -2.941 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.920 -2.343 10.233 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.419 -1.205 9.946 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.326 -2.491 7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.131 -0.737 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.263 -1.566 6.205 1.00 0.00 H new ATOM 1027 N ILE A 71 1.470 0.194 5.858 1.00 0.00 N ATOM 1028 CA ILE A 71 1.895 0.381 4.476 1.00 0.00 C ATOM 1029 C ILE A 71 2.959 1.468 4.371 1.00 0.00 C ATOM 1030 O ILE A 71 2.765 2.588 4.844 1.00 0.00 O ATOM 1031 CB ILE A 71 0.708 0.750 3.567 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.335 -0.369 3.574 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.191 1.023 2.150 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.600 -0.020 2.820 1.00 0.00 C ATOM 0 H ILE A 71 0.664 0.756 6.131 1.00 0.00 H new ATOM 0 HA ILE A 71 2.315 -0.568 4.143 1.00 0.00 H new ATOM 0 HB ILE A 71 0.242 1.657 3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.103 -1.266 3.137 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.591 -0.610 4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.341 1.282 1.519 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.901 1.850 2.161 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.678 0.132 1.754 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.294 -0.859 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.062 0.859 3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.356 0.192 1.779 1.00 0.00 H new ATOM 1046 N ARG A 72 4.082 1.131 3.746 1.00 0.00 N ATOM 1047 CA ARG A 72 5.177 2.079 3.578 1.00 0.00 C ATOM 1048 C ARG A 72 5.406 2.389 2.102 1.00 0.00 C ATOM 1049 O ARG A 72 5.480 1.483 1.271 1.00 0.00 O ATOM 1050 CB ARG A 72 6.461 1.523 4.198 1.00 0.00 C ATOM 1051 CG ARG A 72 6.295 1.071 5.639 1.00 0.00 C ATOM 1052 CD ARG A 72 7.618 1.101 6.388 1.00 0.00 C ATOM 1053 NE ARG A 72 7.461 0.730 7.792 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.479 0.435 8.593 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.722 0.468 8.130 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.256 0.107 9.859 1.00 0.00 N ATOM 0 H ARG A 72 4.258 0.209 3.348 1.00 0.00 H new ATOM 0 HA ARG A 72 4.905 3.003 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.808 0.681 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.237 2.287 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.575 1.716 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.887 0.061 5.660 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.321 0.419 5.909 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.049 2.100 6.323 1.00 0.00 H new ATOM 0 HE ARG A 72 6.518 0.696 8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.897 0.720 7.157 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.502 0.241 8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.302 0.081 10.219 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.039 -0.119 10.473 1.00 0.00 H new ATOM 1070 N CYS A 73 5.515 3.674 1.783 1.00 0.00 N ATOM 1071 CA CYS A 73 5.733 4.104 0.406 1.00 0.00 C ATOM 1072 C CYS A 73 7.091 4.784 0.258 1.00 0.00 C ATOM 1073 O CYS A 73 7.298 5.892 0.751 1.00 0.00 O ATOM 1074 CB CYS A 73 4.621 5.057 -0.035 1.00 0.00 C ATOM 1075 SG CYS A 73 4.961 5.920 -1.587 1.00 0.00 S ATOM 0 H CYS A 73 5.456 4.436 2.459 1.00 0.00 H new ATOM 0 HA CYS A 73 5.718 3.220 -0.232 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.694 4.493 -0.141 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.457 5.795 0.750 1.00 0.00 H new ATOM 0 HG CYS A 73 6.223 6.228 -1.645 1.00 0.00 H new ATOM 1081 N ASN A 74 8.012 4.111 -0.424 1.00 0.00 N ATOM 1082 CA ASN A 74 9.351 4.649 -0.635 1.00 0.00 C ATOM 1083 C ASN A 74 10.106 4.763 0.686 1.00 0.00 C ATOM 1084 O ASN A 74 10.931 5.658 0.866 1.00 0.00 O ATOM 1085 CB ASN A 74 9.272 6.020 -1.310 1.00 0.00 C ATOM 1086 CG ASN A 74 8.488 5.981 -2.608 1.00 0.00 C ATOM 1087 OD1 ASN A 74 7.538 6.740 -2.795 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.885 5.092 -3.512 1.00 0.00 N ATOM 0 H ASN A 74 7.856 3.193 -0.840 1.00 0.00 H new ATOM 0 HA ASN A 74 9.893 3.962 -1.285 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.806 6.731 -0.628 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.280 6.383 -1.509 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.396 5.019 -4.404 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.679 4.483 -3.314 1.00 0.00 H new ATOM 1095 N GLY A 75 9.817 3.850 1.608 1.00 0.00 N ATOM 1096 CA GLY A 75 10.478 3.865 2.900 1.00 0.00 C ATOM 1097 C GLY A 75 9.775 4.761 3.900 1.00 0.00 C ATOM 1098 O GLY A 75 10.107 4.760 5.084 1.00 0.00 O ATOM 0 H GLY A 75 9.137 3.100 1.483 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.522 2.850 3.294 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.507 4.203 2.775 1.00 0.00 H new ATOM 1102 N GLU A 76 8.801 5.529 3.421 1.00 0.00 N ATOM 1103 CA GLU A 76 8.051 6.436 4.282 1.00 0.00 C ATOM 1104 C GLU A 76 6.576 6.050 4.326 1.00 0.00 C ATOM 1105 O GLU A 76 5.932 5.889 3.289 1.00 0.00 O ATOM 1106 CB GLU A 76 8.197 7.878 3.792 1.00 0.00 C ATOM 1107 CG GLU A 76 9.566 8.478 4.065 1.00 0.00 C ATOM 1108 CD GLU A 76 10.607 8.041 3.052 1.00 0.00 C ATOM 1109 OE1 GLU A 76 11.042 6.872 3.114 1.00 0.00 O ATOM 1110 OE2 GLU A 76 10.987 8.870 2.198 1.00 0.00 O ATOM 0 H GLU A 76 8.513 5.541 2.443 1.00 0.00 H new ATOM 0 HA GLU A 76 8.459 6.359 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.003 7.910 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.437 8.495 4.272 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.490 9.565 4.057 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.893 8.189 5.064 1.00 0.00 H new ATOM 1117 N THR A 77 6.045 5.901 5.536 1.00 0.00 N ATOM 1118 CA THR A 77 4.647 5.532 5.717 1.00 0.00 C ATOM 1119 C THR A 77 3.719 6.573 5.101 1.00 0.00 C ATOM 1120 O THR A 77 3.970 7.774 5.192 1.00 0.00 O ATOM 1121 CB THR A 77 4.297 5.368 7.208 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.483 6.611 7.895 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.161 4.294 7.852 1.00 0.00 C ATOM 0 H THR A 77 6.563 6.030 6.405 1.00 0.00 H new ATOM 0 HA THR A 77 4.505 4.577 5.211 1.00 0.00 H new ATOM 0 HB THR A 77 3.253 5.065 7.281 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.257 6.499 8.842 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.896 4.196 8.905 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.996 3.343 7.346 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.211 4.573 7.767 1.00 0.00 H new ATOM 1131 N LEU A 78 2.645 6.104 4.475 1.00 0.00 N ATOM 1132 CA LEU A 78 1.678 6.996 3.844 1.00 0.00 C ATOM 1133 C LEU A 78 1.385 8.198 4.734 1.00 0.00 C ATOM 1134 O LEU A 78 1.413 9.342 4.279 1.00 0.00 O ATOM 1135 CB LEU A 78 0.381 6.242 3.541 1.00 0.00 C ATOM 1136 CG LEU A 78 0.553 4.956 2.732 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.759 4.192 2.656 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.071 5.269 1.337 1.00 0.00 C ATOM 0 H LEU A 78 2.422 5.112 4.391 1.00 0.00 H new ATOM 0 HA LEU A 78 2.108 7.356 2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.108 5.997 4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.290 6.908 2.998 1.00 0.00 H new ATOM 0 HG LEU A 78 1.286 4.328 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.616 3.280 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.089 3.934 3.662 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.514 4.813 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.187 4.342 0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.362 5.918 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.035 5.772 1.411 1.00 0.00 H new ATOM 1150 N ARG A 79 1.104 7.932 6.005 1.00 0.00 N ATOM 1151 CA ARG A 79 0.804 8.992 6.960 1.00 0.00 C ATOM 1152 C ARG A 79 1.860 10.091 6.902 1.00 0.00 C ATOM 1153 O ARG A 79 1.539 11.279 6.944 1.00 0.00 O ATOM 1154 CB ARG A 79 0.723 8.423 8.378 1.00 0.00 C ATOM 1155 CG ARG A 79 0.584 9.486 9.454 1.00 0.00 C ATOM 1156 CD ARG A 79 0.586 8.874 10.846 1.00 0.00 C ATOM 1157 NE ARG A 79 -0.761 8.531 11.295 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.584 9.396 11.878 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.199 10.648 12.082 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -2.794 9.008 12.259 1.00 0.00 N ATOM 0 H ARG A 79 1.078 6.991 6.398 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.161 9.424 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.127 7.743 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.618 7.833 8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.402 10.201 9.369 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.341 10.041 9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.208 7.979 10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.035 9.575 11.550 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.088 7.575 11.153 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -0.269 10.949 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -1.833 11.310 12.530 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -3.093 8.045 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.425 9.673 12.707 1.00 0.00 H new ATOM 1174 N HIS A 80 3.123 9.687 6.805 1.00 0.00 N ATOM 1175 CA HIS A 80 4.227 10.637 6.740 1.00 0.00 C ATOM 1176 C HIS A 80 4.090 11.547 5.523 1.00 0.00 C ATOM 1177 O HIS A 80 4.168 12.770 5.638 1.00 0.00 O ATOM 1178 CB HIS A 80 5.564 9.896 6.690 1.00 0.00 C ATOM 1179 CG HIS A 80 6.754 10.799 6.802 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.475 10.952 7.968 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.349 11.597 5.886 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.461 11.806 7.764 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.407 12.213 6.508 1.00 0.00 N ATOM 0 H HIS A 80 3.407 8.708 6.770 1.00 0.00 H new ATOM 0 HA HIS A 80 4.196 11.254 7.638 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.595 9.165 7.498 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.627 9.340 5.755 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.277 10.479 8.850 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.048 11.726 4.857 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.188 12.119 8.499 1.00 0.00 H new ATOM 1192 N LEU A 81 3.887 10.942 4.358 1.00 0.00 N ATOM 1193 CA LEU A 81 3.740 11.698 3.119 1.00 0.00 C ATOM 1194 C LEU A 81 2.574 12.676 3.213 1.00 0.00 C ATOM 1195 O LEU A 81 2.684 13.830 2.803 1.00 0.00 O ATOM 1196 CB LEU A 81 3.531 10.747 1.939 1.00 0.00 C ATOM 1197 CG LEU A 81 4.682 9.776 1.678 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.284 8.742 0.636 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.925 10.531 1.234 1.00 0.00 C ATOM 0 H LEU A 81 3.820 9.930 4.245 1.00 0.00 H new ATOM 0 HA LEU A 81 4.655 12.268 2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.622 10.171 2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.365 11.340 1.039 1.00 0.00 H new ATOM 0 HG LEU A 81 4.910 9.255 2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.117 8.060 0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.421 8.179 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.028 9.245 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.735 9.824 1.053 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.710 11.079 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.223 11.232 2.014 1.00 0.00 H new ATOM 1211 N GLU A 82 1.456 12.203 3.756 1.00 0.00 N ATOM 1212 CA GLU A 82 0.268 13.036 3.903 1.00 0.00 C ATOM 1213 C GLU A 82 0.590 14.313 4.675 1.00 0.00 C ATOM 1214 O GLU A 82 0.159 15.402 4.298 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.840 12.260 4.619 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.131 13.047 4.774 1.00 0.00 C ATOM 1217 CD GLU A 82 -2.939 12.611 5.981 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.342 12.039 6.918 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -4.166 12.840 5.989 1.00 0.00 O ATOM 0 H GLU A 82 1.348 11.249 4.101 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.076 13.312 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.047 11.344 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.485 11.963 5.606 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.897 14.108 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.735 12.928 3.875 1.00 0.00 H new ATOM 1226 N GLN A 83 1.349 14.168 5.756 1.00 0.00 N ATOM 1227 CA GLN A 83 1.728 15.309 6.581 1.00 0.00 C ATOM 1228 C GLN A 83 2.511 16.333 5.767 1.00 0.00 C ATOM 1229 O GLN A 83 2.369 17.540 5.965 1.00 0.00 O ATOM 1230 CB GLN A 83 2.561 14.846 7.778 1.00 0.00 C ATOM 1231 CG GLN A 83 1.753 14.103 8.830 1.00 0.00 C ATOM 1232 CD GLN A 83 2.452 14.054 10.174 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.183 14.975 10.541 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.230 12.977 10.918 1.00 0.00 N ATOM 0 H GLN A 83 1.713 13.272 6.081 1.00 0.00 H new ATOM 0 HA GLN A 83 0.815 15.782 6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.363 14.199 7.423 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.032 15.714 8.240 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.783 14.587 8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.563 13.086 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.617 12.238 10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.673 12.889 11.833 1.00 0.00 H new ATOM 1243 N LYS A 84 3.340 15.845 4.850 1.00 0.00 N ATOM 1244 CA LYS A 84 4.146 16.717 4.004 1.00 0.00 C ATOM 1245 C LYS A 84 3.348 17.189 2.793 1.00 0.00 C ATOM 1246 O LYS A 84 3.909 17.731 1.841 1.00 0.00 O ATOM 1247 CB LYS A 84 5.410 15.987 3.543 1.00 0.00 C ATOM 1248 CG LYS A 84 6.392 15.701 4.666 1.00 0.00 C ATOM 1249 CD LYS A 84 7.230 14.469 4.373 1.00 0.00 C ATOM 1250 CE LYS A 84 8.422 14.803 3.489 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.301 13.620 3.272 1.00 0.00 N ATOM 0 H LYS A 84 3.471 14.849 4.674 1.00 0.00 H new ATOM 0 HA LYS A 84 4.431 17.590 4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.125 15.046 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.908 16.586 2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.046 16.562 4.807 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.847 15.558 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.580 14.035 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.613 13.716 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.068 15.174 2.527 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.000 15.606 3.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.101 13.889 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.659 13.281 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.757 12.863 2.812 1.00 0.00 H new ATOM 1265 N GLY A 85 2.036 16.983 2.837 1.00 0.00 N ATOM 1266 CA GLY A 85 1.183 17.395 1.738 1.00 0.00 C ATOM 1267 C GLY A 85 1.520 16.683 0.443 1.00 0.00 C ATOM 1268 O GLY A 85 1.415 17.262 -0.638 1.00 0.00 O ATOM 0 H GLY A 85 1.548 16.538 3.614 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.142 17.199 1.997 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.278 18.471 1.592 1.00 0.00 H new ATOM 1272 N LEU A 86 1.930 15.424 0.552 1.00 0.00 N ATOM 1273 CA LEU A 86 2.286 14.632 -0.620 1.00 0.00 C ATOM 1274 C LEU A 86 1.237 13.558 -0.891 1.00 0.00 C ATOM 1275 O LEU A 86 0.948 13.234 -2.042 1.00 0.00 O ATOM 1276 CB LEU A 86 3.658 13.983 -0.424 1.00 0.00 C ATOM 1277 CG LEU A 86 4.755 14.926 0.068 1.00 0.00 C ATOM 1278 CD1 LEU A 86 5.977 14.139 0.515 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.130 15.921 -1.020 1.00 0.00 C ATOM 0 H LEU A 86 2.024 14.930 1.439 1.00 0.00 H new ATOM 0 HA LEU A 86 2.326 15.300 -1.481 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.557 13.164 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.974 13.545 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 86 4.372 15.480 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.747 14.828 0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.700 13.466 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.362 13.557 -0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.913 16.585 -0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.493 15.383 -1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.254 16.509 -1.293 1.00 0.00 H new ATOM 1291 N LEU A 87 0.670 13.011 0.178 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.348 11.973 0.057 1.00 0.00 C ATOM 1293 C LEU A 87 -1.671 12.435 0.658 1.00 0.00 C ATOM 1294 O LEU A 87 -1.825 12.493 1.878 1.00 0.00 O ATOM 1295 CB LEU A 87 0.119 10.689 0.747 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.287 9.393 0.046 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.722 8.292 0.332 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.681 8.966 0.479 1.00 0.00 C ATOM 0 H LEU A 87 0.898 13.269 1.138 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.503 11.772 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.206 10.714 0.830 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.278 10.675 1.762 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.302 9.574 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.416 7.377 -0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.704 8.596 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.770 8.112 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.953 8.042 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.693 8.804 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.397 9.746 0.221 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.624 12.765 -0.207 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.935 13.224 0.238 1.00 0.00 C ATOM 1312 C PHE A 88 -4.603 12.181 1.129 1.00 0.00 C ATOM 1313 O PHE A 88 -5.273 12.520 2.105 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.828 13.529 -0.967 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.481 12.310 -1.553 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.717 11.232 -1.970 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.858 12.243 -1.689 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.315 10.108 -2.510 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.461 11.123 -2.227 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.689 10.054 -2.639 1.00 0.00 C ATOM 0 H PHE A 88 -2.513 12.723 -1.220 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.795 14.136 0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.601 14.236 -0.667 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.231 14.017 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.642 11.270 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.467 13.076 -1.371 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.708 9.274 -2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.536 11.083 -2.326 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.159 9.178 -3.061 1.00 0.00 H new ATOM 1330 N SER A 89 -4.417 10.911 0.785 1.00 0.00 N ATOM 1331 CA SER A 89 -5.005 9.818 1.550 1.00 0.00 C ATOM 1332 C SER A 89 -6.503 10.031 1.739 1.00 0.00 C ATOM 1333 O SER A 89 -7.027 9.895 2.843 1.00 0.00 O ATOM 1334 CB SER A 89 -4.320 9.695 2.913 1.00 0.00 C ATOM 1335 OG SER A 89 -4.339 8.356 3.375 1.00 0.00 O ATOM 0 H SER A 89 -3.864 10.613 -0.019 1.00 0.00 H new ATOM 0 HA SER A 89 -4.855 8.894 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.290 10.042 2.838 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.822 10.339 3.635 1.00 0.00 H new ATOM 0 HG SER A 89 -3.645 8.235 4.056 1.00 0.00 H new