USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 717 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 92 GLN : amide:sc= 0.49 X(o=1,f=0.74) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= 0.541 X(o=0.74,f=1) USER MOD Set 2.1: A 32 THR OG1 : rot -100:sc= 1.21 USER MOD Set 2.2: A 34 HIS : no HE2:sc= -0.117 K(o=1.1,f=-3.4) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.971 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.012) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 29:sc= -0.191 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.0426 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.0908 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -121:sc= -8.12! (180deg=-13.7!) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 0.214 (180deg=0.0429) USER MOD Single : A 81 MET CE :methyl -110:sc= -1.5! (180deg=-4.18!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 144:sc= 0.485 USER MOD Single : A 85 TYR OH : rot -56:sc= 0.847 USER MOD Single : A 86 TYR OH : rot -16:sc= -2.58! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.71) USER MOD Single : A 95 ASN : amide:sc= 0.317 X(o=0.32,f=0) USER MOD Single : A 103 GLN : amide:sc= 0.57 K(o=0.57,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 200 N LEU A 17 0.920 7.822 -3.652 1.00 0.00 N ATOM 201 CA LEU A 17 1.113 6.385 -3.555 1.00 0.00 C ATOM 202 C LEU A 17 -0.063 5.671 -4.224 1.00 0.00 C ATOM 203 O LEU A 17 -1.217 6.044 -4.021 1.00 0.00 O ATOM 204 CB LEU A 17 1.336 5.972 -2.099 1.00 0.00 C ATOM 205 CG LEU A 17 1.145 4.486 -1.787 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.434 3.702 -2.038 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.622 4.288 -0.363 1.00 0.00 C ATOM 0 HA LEU A 17 2.014 6.084 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.349 6.256 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.654 6.545 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 17 0.390 4.089 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.270 2.649 -1.808 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.724 3.804 -3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.228 4.093 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.495 3.223 -0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.335 4.705 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.337 4.794 -0.254 1.00 0.00 H new ATOM 219 N VAL A 18 0.271 4.656 -5.008 1.00 0.00 N ATOM 220 CA VAL A 18 -0.744 3.886 -5.708 1.00 0.00 C ATOM 221 C VAL A 18 -0.603 2.409 -5.335 1.00 0.00 C ATOM 222 O VAL A 18 0.395 1.773 -5.670 1.00 0.00 O ATOM 223 CB VAL A 18 -0.643 4.135 -7.214 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.524 3.156 -7.992 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.999 5.584 -7.555 1.00 0.00 C ATOM 0 H VAL A 18 1.229 4.349 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.742 4.204 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 18 0.391 3.965 -7.513 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.434 3.355 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.204 2.135 -7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.563 3.280 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.919 5.735 -8.632 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.019 5.793 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.312 6.258 -7.043 1.00 0.00 H new ATOM 235 N ILE A 19 -1.618 1.906 -4.647 1.00 0.00 N ATOM 236 CA ILE A 19 -1.620 0.516 -4.226 1.00 0.00 C ATOM 237 C ILE A 19 -2.366 -0.326 -5.263 1.00 0.00 C ATOM 238 O ILE A 19 -3.580 -0.194 -5.418 1.00 0.00 O ATOM 239 CB ILE A 19 -2.183 0.386 -2.809 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.306 1.130 -1.800 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.376 -1.083 -2.428 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.059 1.370 -0.490 1.00 0.00 C ATOM 0 H ILE A 19 -2.444 2.437 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.601 0.132 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.167 0.855 -2.788 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.402 0.553 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.990 2.084 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.777 -1.147 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.072 -1.551 -3.124 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.417 -1.599 -2.471 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.413 1.900 0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.949 1.968 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.352 0.413 -0.058 1.00 0.00 H new ATOM 254 N ARG A 20 -1.610 -1.172 -5.947 1.00 0.00 N ATOM 255 CA ARG A 20 -2.184 -2.035 -6.965 1.00 0.00 C ATOM 256 C ARG A 20 -2.642 -3.356 -6.344 1.00 0.00 C ATOM 257 O ARG A 20 -1.832 -4.256 -6.125 1.00 0.00 O ATOM 258 CB ARG A 20 -1.173 -2.324 -8.076 1.00 0.00 C ATOM 259 CG ARG A 20 -1.629 -3.502 -8.939 1.00 0.00 C ATOM 260 CD ARG A 20 -0.641 -3.763 -10.078 1.00 0.00 C ATOM 261 NE ARG A 20 -1.029 -4.985 -10.816 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.229 -5.630 -11.676 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.008 -5.173 -11.912 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.666 -6.732 -12.300 1.00 0.00 N ATOM 0 H ARG A 20 -0.604 -1.278 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.040 -1.516 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.049 -1.438 -8.699 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.199 -2.545 -7.638 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.722 -4.395 -8.321 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.617 -3.295 -9.350 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.622 -2.910 -10.756 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.367 -3.875 -9.678 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.965 -5.360 -10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.341 -4.334 -11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.617 -5.664 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.608 -7.080 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.057 -7.223 -12.955 1.00 0.00 H new ATOM 278 N ILE A 21 -3.938 -3.431 -6.079 1.00 0.00 N ATOM 279 CA ILE A 21 -4.513 -4.628 -5.489 1.00 0.00 C ATOM 280 C ILE A 21 -4.658 -5.704 -6.566 1.00 0.00 C ATOM 281 O ILE A 21 -5.433 -5.545 -7.507 1.00 0.00 O ATOM 282 CB ILE A 21 -5.823 -4.295 -4.772 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.574 -3.378 -3.573 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.569 -5.570 -4.373 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.835 -1.915 -3.938 1.00 0.00 C ATOM 0 H ILE A 21 -4.606 -2.682 -6.262 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.850 -5.031 -4.723 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.463 -3.751 -5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.221 -3.671 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.546 -3.493 -3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.496 -5.305 -3.865 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.798 -6.152 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.945 -6.162 -3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.651 -1.285 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.170 -1.618 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.871 -1.799 -4.257 1.00 0.00 H new ATOM 297 N LYS A 22 -3.899 -6.777 -6.392 1.00 0.00 N ATOM 298 CA LYS A 22 -3.933 -7.879 -7.338 1.00 0.00 C ATOM 299 C LYS A 22 -5.316 -8.533 -7.303 1.00 0.00 C ATOM 300 O LYS A 22 -5.750 -9.019 -6.259 1.00 0.00 O ATOM 301 CB LYS A 22 -2.785 -8.853 -7.067 1.00 0.00 C ATOM 302 CG LYS A 22 -2.958 -10.142 -7.873 1.00 0.00 C ATOM 303 CD LYS A 22 -2.840 -9.870 -9.374 1.00 0.00 C ATOM 304 CE LYS A 22 -1.601 -10.550 -9.959 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.965 -11.364 -11.140 1.00 0.00 N ATOM 0 H LYS A 22 -3.257 -6.906 -5.610 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.778 -7.514 -8.353 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.836 -8.383 -7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.746 -9.087 -6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.203 -10.868 -7.571 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.930 -10.584 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.733 -10.232 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.786 -8.796 -9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.865 -9.797 -10.242 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.135 -11.183 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.112 -11.818 -11.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.650 -12.094 -10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.389 -10.752 -11.866 1.00 0.00 H new ATOM 319 N ILE A 23 -5.969 -8.524 -8.455 1.00 0.00 N ATOM 320 CA ILE A 23 -7.294 -9.110 -8.569 1.00 0.00 C ATOM 321 C ILE A 23 -7.170 -10.541 -9.095 1.00 0.00 C ATOM 322 O ILE A 23 -6.346 -10.817 -9.966 1.00 0.00 O ATOM 323 CB ILE A 23 -8.202 -8.219 -9.419 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.108 -6.758 -8.975 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.644 -8.731 -9.402 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.256 -6.396 -8.030 1.00 0.00 C ATOM 0 H ILE A 23 -5.606 -8.120 -9.318 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.770 -9.170 -7.590 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.856 -8.265 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.154 -6.587 -8.476 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.132 -6.107 -9.849 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.269 -8.080 -10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.675 -9.744 -9.802 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.017 -8.734 -8.378 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.165 -5.352 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.208 -6.545 -8.540 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.214 -7.033 -7.146 1.00 0.00 H new ATOM 338 N PRO A 24 -8.023 -11.437 -8.530 1.00 0.00 N ATOM 339 CA PRO A 24 -8.016 -12.833 -8.932 1.00 0.00 C ATOM 340 C PRO A 24 -8.680 -13.012 -10.300 1.00 0.00 C ATOM 341 O PRO A 24 -9.878 -12.780 -10.447 1.00 0.00 O ATOM 342 CB PRO A 24 -8.745 -13.567 -7.818 1.00 0.00 C ATOM 343 CG PRO A 24 -9.534 -12.507 -7.067 1.00 0.00 C ATOM 344 CD PRO A 24 -9.012 -11.146 -7.496 1.00 0.00 C ATOM 0 HA PRO A 24 -7.009 -13.229 -9.059 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.407 -14.333 -8.223 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.041 -14.071 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.598 -12.595 -7.288 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.420 -12.638 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.815 -10.518 -7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.564 -10.612 -6.658 1.00 0.00 H new ATOM 352 N ASN A 25 -7.871 -13.424 -11.264 1.00 0.00 N ATOM 353 CA ASN A 25 -8.364 -13.638 -12.615 1.00 0.00 C ATOM 354 C ASN A 25 -9.365 -12.536 -12.967 1.00 0.00 C ATOM 355 O ASN A 25 -10.572 -12.772 -12.990 1.00 0.00 O ATOM 356 CB ASN A 25 -9.081 -14.984 -12.733 1.00 0.00 C ATOM 357 CG ASN A 25 -8.179 -16.031 -13.388 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.496 -16.799 -12.731 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.214 -16.018 -14.718 1.00 0.00 N ATOM 0 H ASN A 25 -6.877 -13.616 -11.137 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.510 -13.624 -13.292 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.383 -15.327 -11.743 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.991 -14.865 -13.320 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -7.646 -16.678 -15.250 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.808 -15.348 -15.206 1.00 0.00 H new ATOM 366 N SER A 26 -8.827 -11.355 -13.233 1.00 0.00 N ATOM 367 CA SER A 26 -9.658 -10.215 -13.584 1.00 0.00 C ATOM 368 C SER A 26 -8.778 -9.025 -13.972 1.00 0.00 C ATOM 369 O SER A 26 -9.090 -8.299 -14.914 1.00 0.00 O ATOM 370 CB SER A 26 -10.586 -9.835 -12.429 1.00 0.00 C ATOM 371 OG SER A 26 -11.910 -9.557 -12.877 1.00 0.00 O ATOM 0 H SER A 26 -7.826 -11.162 -13.213 1.00 0.00 H new ATOM 0 HA SER A 26 -10.278 -10.493 -14.437 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.612 -10.647 -11.703 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.186 -8.961 -11.915 1.00 0.00 H new ATOM 0 HG SER A 26 -12.472 -9.320 -12.110 1.00 0.00 H new ATOM 377 N GLY A 27 -7.695 -8.863 -13.225 1.00 0.00 N ATOM 378 CA GLY A 27 -6.768 -7.773 -13.479 1.00 0.00 C ATOM 379 C GLY A 27 -6.212 -7.210 -12.170 1.00 0.00 C ATOM 380 O GLY A 27 -5.735 -7.961 -11.320 1.00 0.00 O ATOM 0 H GLY A 27 -7.439 -9.468 -12.445 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.948 -8.126 -14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.274 -6.982 -14.033 1.00 0.00 H new ATOM 384 N ALA A 28 -6.291 -5.893 -12.048 1.00 0.00 N ATOM 385 CA ALA A 28 -5.802 -5.221 -10.856 1.00 0.00 C ATOM 386 C ALA A 28 -6.385 -3.808 -10.798 1.00 0.00 C ATOM 387 O ALA A 28 -6.645 -3.196 -11.833 1.00 0.00 O ATOM 388 CB ALA A 28 -4.272 -5.220 -10.862 1.00 0.00 C ATOM 0 H ALA A 28 -6.686 -5.273 -12.755 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.124 -5.748 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.905 -4.716 -9.968 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.908 -6.247 -10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.912 -4.696 -11.747 1.00 0.00 H new ATOM 394 N VAL A 29 -6.573 -3.330 -9.576 1.00 0.00 N ATOM 395 CA VAL A 29 -7.121 -2.000 -9.369 1.00 0.00 C ATOM 396 C VAL A 29 -6.101 -1.145 -8.615 1.00 0.00 C ATOM 397 O VAL A 29 -5.367 -1.651 -7.767 1.00 0.00 O ATOM 398 CB VAL A 29 -8.469 -2.095 -8.650 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.957 -0.712 -8.216 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.509 -2.794 -9.527 1.00 0.00 C ATOM 0 H VAL A 29 -6.356 -3.840 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.311 -1.512 -10.325 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.329 -2.697 -7.752 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.916 -0.808 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.230 -0.266 -7.538 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.073 -0.075 -9.093 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.458 -2.849 -8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.644 -2.231 -10.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.167 -3.802 -9.764 1.00 0.00 H new ATOM 410 N ASP A 30 -6.087 0.137 -8.951 1.00 0.00 N ATOM 411 CA ASP A 30 -5.169 1.067 -8.317 1.00 0.00 C ATOM 412 C ASP A 30 -5.936 1.929 -7.312 1.00 0.00 C ATOM 413 O ASP A 30 -6.866 2.643 -7.685 1.00 0.00 O ATOM 414 CB ASP A 30 -4.528 1.998 -9.348 1.00 0.00 C ATOM 415 CG ASP A 30 -5.373 3.214 -9.734 1.00 0.00 C ATOM 416 OD1 ASP A 30 -6.546 2.995 -10.105 1.00 0.00 O ATOM 417 OD2 ASP A 30 -4.827 4.335 -9.649 1.00 0.00 O ATOM 0 H ASP A 30 -6.697 0.553 -9.654 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.390 0.487 -7.822 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.573 2.348 -8.956 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.312 1.424 -10.249 1.00 0.00 H new ATOM 422 N TRP A 31 -5.517 1.835 -6.059 1.00 0.00 N ATOM 423 CA TRP A 31 -6.154 2.598 -4.998 1.00 0.00 C ATOM 424 C TRP A 31 -5.336 3.872 -4.776 1.00 0.00 C ATOM 425 O TRP A 31 -4.265 3.828 -4.173 1.00 0.00 O ATOM 426 CB TRP A 31 -6.304 1.755 -3.731 1.00 0.00 C ATOM 427 CG TRP A 31 -6.579 2.573 -2.468 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.231 3.739 -2.366 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.180 2.237 -1.122 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.282 4.178 -1.059 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.623 3.236 -0.278 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.470 1.127 -0.633 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.404 3.224 1.105 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.259 1.129 0.751 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.698 2.127 1.614 1.00 0.00 C ATOM 0 H TRP A 31 -4.745 1.243 -5.754 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.168 2.880 -5.281 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.117 1.043 -3.875 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.394 1.174 -3.584 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.663 4.269 -3.202 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.722 5.036 -0.727 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.115 0.334 -1.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.760 4.018 1.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.718 0.298 1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.495 2.056 2.672 1.00 0.00 H new ATOM 446 N THR A 32 -5.873 4.976 -5.274 1.00 0.00 N ATOM 447 CA THR A 32 -5.206 6.260 -5.138 1.00 0.00 C ATOM 448 C THR A 32 -4.977 6.587 -3.661 1.00 0.00 C ATOM 449 O THR A 32 -5.929 6.835 -2.921 1.00 0.00 O ATOM 450 CB THR A 32 -6.045 7.309 -5.870 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.276 8.504 -5.764 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.346 7.636 -5.134 1.00 0.00 C ATOM 0 H THR A 32 -6.762 5.008 -5.772 1.00 0.00 H new ATOM 0 HA THR A 32 -4.215 6.242 -5.592 1.00 0.00 H new ATOM 0 HB THR A 32 -6.276 6.953 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.637 9.062 -5.044 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.903 8.385 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.947 6.732 -5.039 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.115 8.024 -4.142 1.00 0.00 H new ATOM 460 N VAL A 33 -3.710 6.578 -3.275 1.00 0.00 N ATOM 461 CA VAL A 33 -3.344 6.871 -1.899 1.00 0.00 C ATOM 462 C VAL A 33 -2.428 8.097 -1.870 1.00 0.00 C ATOM 463 O VAL A 33 -1.365 8.096 -2.488 1.00 0.00 O ATOM 464 CB VAL A 33 -2.713 5.637 -1.252 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.355 5.909 0.211 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.634 4.422 -1.374 1.00 0.00 C ATOM 0 H VAL A 33 -2.923 6.372 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.229 7.113 -1.311 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.790 5.412 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.908 5.016 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.644 6.734 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.257 6.171 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.161 3.559 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.581 4.632 -0.876 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.817 4.209 -2.427 1.00 0.00 H new ATOM 476 N HIS A 34 -2.875 9.112 -1.145 1.00 0.00 N ATOM 477 CA HIS A 34 -2.108 10.341 -1.026 1.00 0.00 C ATOM 478 C HIS A 34 -1.463 10.412 0.359 1.00 0.00 C ATOM 479 O HIS A 34 -0.389 10.990 0.519 1.00 0.00 O ATOM 480 CB HIS A 34 -2.982 11.558 -1.337 1.00 0.00 C ATOM 481 CG HIS A 34 -3.830 11.405 -2.577 1.00 0.00 C ATOM 482 ND1 HIS A 34 -3.814 12.322 -3.613 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.717 10.433 -2.937 1.00 0.00 C ATOM 484 CE1 HIS A 34 -4.658 11.911 -4.549 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.216 10.741 -4.127 1.00 0.00 N ATOM 0 H HIS A 34 -3.758 9.109 -0.634 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.304 10.345 -1.762 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.634 11.751 -0.485 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.341 12.432 -1.453 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.249 13.170 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.970 9.561 -2.352 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.867 12.414 -5.481 1.00 0.00 H new ATOM 493 N SER A 35 -2.145 9.815 1.326 1.00 0.00 N ATOM 494 CA SER A 35 -1.652 9.804 2.692 1.00 0.00 C ATOM 495 C SER A 35 -0.785 8.565 2.925 1.00 0.00 C ATOM 496 O SER A 35 -0.930 7.883 3.939 1.00 0.00 O ATOM 497 CB SER A 35 -2.807 9.840 3.695 1.00 0.00 C ATOM 498 OG SER A 35 -2.977 11.133 4.268 1.00 0.00 O ATOM 0 H SER A 35 -3.035 9.336 1.190 1.00 0.00 H new ATOM 0 HA SER A 35 -1.047 10.697 2.844 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.729 9.540 3.197 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.622 9.114 4.487 1.00 0.00 H new ATOM 0 HG SER A 35 -3.725 11.114 4.901 1.00 0.00 H new ATOM 504 N GLY A 36 0.096 8.310 1.970 1.00 0.00 N ATOM 505 CA GLY A 36 0.987 7.165 2.058 1.00 0.00 C ATOM 506 C GLY A 36 1.491 6.972 3.490 1.00 0.00 C ATOM 507 O GLY A 36 1.389 5.880 4.046 1.00 0.00 O ATOM 0 H GLY A 36 0.213 8.877 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.465 6.267 1.728 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.834 7.306 1.386 1.00 0.00 H new ATOM 511 N PRO A 37 2.038 8.079 4.061 1.00 0.00 N ATOM 512 CA PRO A 37 2.558 8.041 5.417 1.00 0.00 C ATOM 513 C PRO A 37 1.421 8.033 6.440 1.00 0.00 C ATOM 514 O PRO A 37 1.540 7.422 7.501 1.00 0.00 O ATOM 515 CB PRO A 37 3.450 9.267 5.529 1.00 0.00 C ATOM 516 CG PRO A 37 3.034 10.191 4.397 1.00 0.00 C ATOM 517 CD PRO A 37 2.175 9.389 3.433 1.00 0.00 C ATOM 0 HA PRO A 37 3.123 7.133 5.627 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.325 9.754 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.502 8.994 5.443 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.477 11.044 4.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.911 10.588 3.887 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.203 9.860 3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.646 9.311 2.453 1.00 0.00 H new ATOM 525 N GLN A 38 0.345 8.720 6.087 1.00 0.00 N ATOM 526 CA GLN A 38 -0.813 8.800 6.961 1.00 0.00 C ATOM 527 C GLN A 38 -1.821 7.704 6.609 1.00 0.00 C ATOM 528 O GLN A 38 -3.024 7.956 6.554 1.00 0.00 O ATOM 529 CB GLN A 38 -1.460 10.184 6.889 1.00 0.00 C ATOM 530 CG GLN A 38 -2.105 10.559 8.225 1.00 0.00 C ATOM 531 CD GLN A 38 -2.079 12.073 8.441 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.778 12.831 7.789 1.00 0.00 O ATOM 533 NE2 GLN A 38 -1.236 12.470 9.390 1.00 0.00 N ATOM 0 H GLN A 38 0.251 9.227 5.207 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.480 8.644 7.987 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.708 10.927 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.213 10.196 6.101 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.135 10.202 8.248 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.577 10.063 9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.680 11.782 9.898 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.146 13.462 9.610 1.00 0.00 H new ATOM 542 N LEU A 39 -1.293 6.511 6.379 1.00 0.00 N ATOM 543 CA LEU A 39 -2.132 5.376 6.034 1.00 0.00 C ATOM 544 C LEU A 39 -2.068 4.339 7.157 1.00 0.00 C ATOM 545 O LEU A 39 -1.042 4.203 7.823 1.00 0.00 O ATOM 546 CB LEU A 39 -1.743 4.820 4.662 1.00 0.00 C ATOM 547 CG LEU A 39 -2.634 3.704 4.113 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.991 4.254 3.669 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.929 2.942 2.989 1.00 0.00 C ATOM 0 H LEU A 39 -0.295 6.306 6.425 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.173 5.686 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.742 5.642 3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.721 4.446 4.720 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.822 2.991 4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.605 3.440 3.283 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.493 4.715 4.520 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.843 4.999 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.584 2.154 2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.690 3.629 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.010 2.499 3.371 1.00 0.00 H new ATOM 561 N LEU A 40 -3.176 3.635 7.333 1.00 0.00 N ATOM 562 CA LEU A 40 -3.259 2.615 8.365 1.00 0.00 C ATOM 563 C LEU A 40 -3.560 1.263 7.716 1.00 0.00 C ATOM 564 O LEU A 40 -4.039 1.206 6.584 1.00 0.00 O ATOM 565 CB LEU A 40 -4.270 3.020 9.439 1.00 0.00 C ATOM 566 CG LEU A 40 -3.888 4.226 10.300 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.072 4.690 11.150 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.654 3.921 11.152 1.00 0.00 C ATOM 0 H LEU A 40 -4.024 3.751 6.778 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.304 2.516 8.881 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.222 3.233 8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.433 2.166 10.097 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.626 5.051 9.637 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.773 5.548 11.752 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.899 4.974 10.499 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.389 3.879 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.403 4.794 11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.864 3.076 11.807 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.814 3.676 10.502 1.00 0.00 H new ATOM 580 N PHE A 41 -3.266 0.206 8.460 1.00 0.00 N ATOM 581 CA PHE A 41 -3.499 -1.142 7.971 1.00 0.00 C ATOM 582 C PHE A 41 -4.985 -1.374 7.691 1.00 0.00 C ATOM 583 O PHE A 41 -5.346 -1.936 6.658 1.00 0.00 O ATOM 584 CB PHE A 41 -3.043 -2.102 9.072 1.00 0.00 C ATOM 585 CG PHE A 41 -3.239 -3.580 8.728 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.703 -4.090 7.587 1.00 0.00 C ATOM 587 CD2 PHE A 41 -3.949 -4.384 9.565 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.884 -5.462 7.269 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.130 -5.756 9.246 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.594 -6.266 8.105 1.00 0.00 C ATOM 0 H PHE A 41 -2.868 0.256 9.398 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.953 -1.301 7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.988 -1.925 9.281 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.591 -1.876 9.987 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.140 -3.451 6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.375 -3.979 10.471 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.458 -5.867 6.363 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.694 -6.395 9.910 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.732 -7.309 7.863 1.00 0.00 H new ATOM 600 N ARG A 42 -5.808 -0.930 8.630 1.00 0.00 N ATOM 601 CA ARG A 42 -7.247 -1.083 8.497 1.00 0.00 C ATOM 602 C ARG A 42 -7.734 -0.421 7.207 1.00 0.00 C ATOM 603 O ARG A 42 -8.502 -1.015 6.452 1.00 0.00 O ATOM 604 CB ARG A 42 -7.979 -0.461 9.689 1.00 0.00 C ATOM 605 CG ARG A 42 -7.467 -1.041 11.009 1.00 0.00 C ATOM 606 CD ARG A 42 -7.632 -2.561 11.041 1.00 0.00 C ATOM 607 NE ARG A 42 -8.059 -2.996 12.390 1.00 0.00 N ATOM 608 CZ ARG A 42 -9.221 -2.648 12.959 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.080 -1.859 12.300 1.00 0.00 N ATOM 610 NH2 ARG A 42 -9.524 -3.089 14.187 1.00 0.00 N ATOM 0 H ARG A 42 -5.506 -0.464 9.486 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.466 -2.150 8.467 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.838 0.620 9.683 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.050 -0.643 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.416 -0.783 11.140 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.011 -0.595 11.842 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.369 -2.871 10.300 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.691 -3.043 10.775 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.429 -3.599 12.920 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.849 -1.523 11.365 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.965 -1.594 12.733 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.870 -3.690 14.689 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.409 -2.824 14.620 1.00 0.00 H new ATOM 624 N ASP A 43 -7.268 0.801 6.993 1.00 0.00 N ATOM 625 CA ASP A 43 -7.647 1.550 5.807 1.00 0.00 C ATOM 626 C ASP A 43 -7.532 0.644 4.580 1.00 0.00 C ATOM 627 O ASP A 43 -8.467 0.546 3.787 1.00 0.00 O ATOM 628 CB ASP A 43 -6.723 2.751 5.596 1.00 0.00 C ATOM 629 CG ASP A 43 -7.144 4.027 6.330 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.102 3.933 7.128 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.498 5.066 6.076 1.00 0.00 O ATOM 0 H ASP A 43 -6.631 1.291 7.621 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.670 1.901 5.942 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.718 2.479 5.919 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.668 2.965 4.529 1.00 0.00 H new ATOM 636 N VAL A 44 -6.377 0.006 4.461 1.00 0.00 N ATOM 637 CA VAL A 44 -6.128 -0.889 3.343 1.00 0.00 C ATOM 638 C VAL A 44 -7.243 -1.934 3.273 1.00 0.00 C ATOM 639 O VAL A 44 -7.838 -2.144 2.217 1.00 0.00 O ATOM 640 CB VAL A 44 -4.735 -1.508 3.468 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.481 -2.519 2.349 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.653 -0.426 3.485 1.00 0.00 C ATOM 0 H VAL A 44 -5.603 0.091 5.120 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.140 -0.338 2.403 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.690 -2.041 4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.484 -2.944 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.223 -3.316 2.403 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.555 -2.019 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.672 -0.893 3.575 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.698 0.148 2.560 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.817 0.239 4.333 1.00 0.00 H new ATOM 652 N LEU A 45 -7.493 -2.563 4.413 1.00 0.00 N ATOM 653 CA LEU A 45 -8.526 -3.581 4.494 1.00 0.00 C ATOM 654 C LEU A 45 -9.884 -2.951 4.177 1.00 0.00 C ATOM 655 O LEU A 45 -10.731 -3.580 3.544 1.00 0.00 O ATOM 656 CB LEU A 45 -8.478 -4.286 5.852 1.00 0.00 C ATOM 657 CG LEU A 45 -7.291 -5.225 6.078 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.843 -5.869 4.765 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.143 -4.497 6.781 1.00 0.00 C ATOM 0 H LEU A 45 -6.998 -2.387 5.287 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.353 -4.358 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.469 -3.526 6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.397 -4.859 5.975 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.613 -6.031 6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.998 -6.531 4.954 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.667 -6.444 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.544 -5.092 4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.312 -5.186 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.814 -3.659 6.167 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.485 -4.127 7.748 1.00 0.00 H new ATOM 671 N ASP A 46 -10.048 -1.717 4.630 1.00 0.00 N ATOM 672 CA ASP A 46 -11.289 -0.995 4.402 1.00 0.00 C ATOM 673 C ASP A 46 -11.462 -0.749 2.902 1.00 0.00 C ATOM 674 O ASP A 46 -12.586 -0.676 2.407 1.00 0.00 O ATOM 675 CB ASP A 46 -11.272 0.363 5.105 1.00 0.00 C ATOM 676 CG ASP A 46 -11.920 0.382 6.491 1.00 0.00 C ATOM 677 OD1 ASP A 46 -12.928 -0.339 6.656 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.394 1.118 7.354 1.00 0.00 O ATOM 0 H ASP A 46 -9.343 -1.199 5.154 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.107 -1.596 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.238 0.693 5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.782 1.089 4.472 1.00 0.00 H new ATOM 683 N VAL A 47 -10.333 -0.629 2.220 1.00 0.00 N ATOM 684 CA VAL A 47 -10.345 -0.393 0.786 1.00 0.00 C ATOM 685 C VAL A 47 -10.505 -1.728 0.055 1.00 0.00 C ATOM 686 O VAL A 47 -11.471 -1.925 -0.680 1.00 0.00 O ATOM 687 CB VAL A 47 -9.086 0.369 0.370 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.946 0.406 -1.153 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.081 1.782 0.956 1.00 0.00 C ATOM 0 H VAL A 47 -9.403 -0.691 2.634 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.193 0.233 0.509 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.224 -0.163 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.043 0.954 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.881 -0.612 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.814 0.903 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.175 2.302 0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.954 2.328 0.597 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.111 1.725 2.044 1.00 0.00 H new ATOM 699 N ILE A 48 -9.543 -2.610 0.283 1.00 0.00 N ATOM 700 CA ILE A 48 -9.565 -3.920 -0.344 1.00 0.00 C ATOM 701 C ILE A 48 -10.991 -4.475 -0.308 1.00 0.00 C ATOM 702 O ILE A 48 -11.471 -5.028 -1.296 1.00 0.00 O ATOM 703 CB ILE A 48 -8.530 -4.842 0.304 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.114 -4.477 -0.144 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.857 -6.312 0.030 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.071 -5.316 0.597 1.00 0.00 C ATOM 0 H ILE A 48 -8.743 -2.443 0.894 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.278 -3.844 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.573 -4.698 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.017 -4.635 -1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.932 -3.418 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.106 -6.946 0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.840 -6.548 0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -8.859 -6.490 -1.045 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.073 -5.037 0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.155 -5.137 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.241 -6.373 0.391 1.00 0.00 H new ATOM 718 N GLY A 49 -11.628 -4.307 0.842 1.00 0.00 N ATOM 719 CA GLY A 49 -12.989 -4.783 1.020 1.00 0.00 C ATOM 720 C GLY A 49 -13.875 -4.364 -0.156 1.00 0.00 C ATOM 721 O GLY A 49 -14.722 -5.135 -0.604 1.00 0.00 O ATOM 0 H GLY A 49 -11.226 -3.848 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.989 -5.869 1.111 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.399 -4.385 1.948 1.00 0.00 H new ATOM 725 N GLN A 50 -13.648 -3.144 -0.620 1.00 0.00 N ATOM 726 CA GLN A 50 -14.415 -2.614 -1.734 1.00 0.00 C ATOM 727 C GLN A 50 -13.995 -3.293 -3.039 1.00 0.00 C ATOM 728 O GLN A 50 -14.810 -3.462 -3.946 1.00 0.00 O ATOM 729 CB GLN A 50 -14.260 -1.095 -1.833 1.00 0.00 C ATOM 730 CG GLN A 50 -14.541 -0.427 -0.485 1.00 0.00 C ATOM 731 CD GLN A 50 -15.460 0.785 -0.655 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.599 0.678 -1.078 1.00 0.00 O ATOM 733 NE2 GLN A 50 -14.903 1.940 -0.303 1.00 0.00 N ATOM 0 H GLN A 50 -12.944 -2.508 -0.245 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.469 -2.829 -1.558 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.250 -0.849 -2.161 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -14.944 -0.704 -2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.003 -1.146 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.602 -0.115 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.944 1.959 0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.435 2.807 -0.380 1.00 0.00 H new ATOM 742 N VAL A 51 -12.724 -3.665 -3.094 1.00 0.00 N ATOM 743 CA VAL A 51 -12.186 -4.322 -4.273 1.00 0.00 C ATOM 744 C VAL A 51 -12.656 -5.778 -4.298 1.00 0.00 C ATOM 745 O VAL A 51 -13.069 -6.282 -5.341 1.00 0.00 O ATOM 746 CB VAL A 51 -10.663 -4.184 -4.299 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.086 -4.731 -5.606 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.240 -2.731 -4.078 1.00 0.00 C ATOM 0 H VAL A 51 -12.051 -3.524 -2.341 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.557 -3.845 -5.180 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.258 -4.778 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.002 -4.621 -5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.343 -5.786 -5.704 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.502 -4.177 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.152 -2.661 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.661 -2.106 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.605 -2.389 -3.110 1.00 0.00 H new ATOM 758 N LEU A 52 -12.576 -6.412 -3.138 1.00 0.00 N ATOM 759 CA LEU A 52 -12.988 -7.800 -3.014 1.00 0.00 C ATOM 760 C LEU A 52 -14.106 -7.906 -1.975 1.00 0.00 C ATOM 761 O LEU A 52 -13.864 -8.300 -0.835 1.00 0.00 O ATOM 762 CB LEU A 52 -11.781 -8.692 -2.711 1.00 0.00 C ATOM 763 CG LEU A 52 -10.855 -8.989 -3.892 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.964 -7.785 -4.207 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.036 -10.257 -3.640 1.00 0.00 C ATOM 0 H LEU A 52 -12.232 -5.990 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.395 -8.162 -3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.193 -8.220 -1.924 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.145 -9.639 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.472 -9.172 -4.772 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.316 -8.023 -5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.587 -6.927 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.354 -7.546 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.386 -10.446 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.429 -10.126 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.709 -11.103 -3.502 1.00 0.00 H new ATOM 777 N PRO A 53 -15.338 -7.536 -2.417 1.00 0.00 N ATOM 778 CA PRO A 53 -16.494 -7.585 -1.538 1.00 0.00 C ATOM 779 C PRO A 53 -16.963 -9.026 -1.329 1.00 0.00 C ATOM 780 O PRO A 53 -17.656 -9.322 -0.357 1.00 0.00 O ATOM 781 CB PRO A 53 -17.539 -6.712 -2.214 1.00 0.00 C ATOM 782 CG PRO A 53 -17.100 -6.584 -3.664 1.00 0.00 C ATOM 783 CD PRO A 53 -15.661 -7.063 -3.760 1.00 0.00 C ATOM 0 HA PRO A 53 -16.276 -7.218 -0.535 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.529 -7.163 -2.144 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.599 -5.734 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.744 -7.179 -4.312 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.181 -5.549 -3.997 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.557 -7.860 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.995 -6.257 -4.067 1.00 0.00 H new ATOM 791 N GLU A 54 -16.567 -9.884 -2.258 1.00 0.00 N ATOM 792 CA GLU A 54 -16.939 -11.287 -2.188 1.00 0.00 C ATOM 793 C GLU A 54 -15.779 -12.116 -1.634 1.00 0.00 C ATOM 794 O GLU A 54 -15.901 -13.329 -1.471 1.00 0.00 O ATOM 795 CB GLU A 54 -17.379 -11.806 -3.558 1.00 0.00 C ATOM 796 CG GLU A 54 -17.740 -10.650 -4.493 1.00 0.00 C ATOM 797 CD GLU A 54 -18.674 -11.120 -5.611 1.00 0.00 C ATOM 798 OE1 GLU A 54 -19.737 -11.678 -5.265 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.302 -10.910 -6.786 1.00 0.00 O ATOM 0 H GLU A 54 -15.992 -9.635 -3.063 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.787 -11.385 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -16.579 -12.399 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -18.238 -12.466 -3.442 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -18.220 -9.854 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -16.832 -10.230 -4.925 1.00 0.00 H new ATOM 806 N ALA A 55 -14.679 -11.429 -1.361 1.00 0.00 N ATOM 807 CA ALA A 55 -13.498 -12.087 -0.828 1.00 0.00 C ATOM 808 C ALA A 55 -12.847 -11.185 0.222 1.00 0.00 C ATOM 809 O ALA A 55 -11.851 -10.520 -0.057 1.00 0.00 O ATOM 810 CB ALA A 55 -12.545 -12.429 -1.975 1.00 0.00 C ATOM 0 H ALA A 55 -14.581 -10.423 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.767 -13.022 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.659 -12.923 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.046 -13.095 -2.678 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.251 -11.514 -2.489 1.00 0.00 H new ATOM 816 N THR A 56 -13.437 -11.192 1.409 1.00 0.00 N ATOM 817 CA THR A 56 -12.927 -10.382 2.502 1.00 0.00 C ATOM 818 C THR A 56 -11.426 -10.619 2.686 1.00 0.00 C ATOM 819 O THR A 56 -10.934 -11.720 2.444 1.00 0.00 O ATOM 820 CB THR A 56 -13.750 -10.703 3.751 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.727 -9.492 4.502 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.060 -11.720 4.663 1.00 0.00 C ATOM 0 H THR A 56 -14.263 -11.746 1.637 1.00 0.00 H new ATOM 0 HA THR A 56 -13.033 -9.318 2.289 1.00 0.00 H new ATOM 0 HB THR A 56 -14.726 -11.087 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 56 -14.239 -9.610 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.687 -11.912 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.903 -12.650 4.117 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.098 -11.323 4.988 1.00 0.00 H new ATOM 830 N THR A 57 -10.742 -9.569 3.114 1.00 0.00 N ATOM 831 CA THR A 57 -9.308 -9.649 3.333 1.00 0.00 C ATOM 832 C THR A 57 -8.914 -8.854 4.579 1.00 0.00 C ATOM 833 O THR A 57 -9.356 -7.721 4.763 1.00 0.00 O ATOM 834 CB THR A 57 -8.607 -9.169 2.060 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.401 -10.362 1.307 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.194 -8.649 2.330 1.00 0.00 C ATOM 0 H THR A 57 -11.154 -8.658 3.315 1.00 0.00 H new ATOM 0 HA THR A 57 -8.995 -10.675 3.527 1.00 0.00 H new ATOM 0 HB THR A 57 -9.200 -8.382 1.594 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.101 -11.012 1.527 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.742 -8.321 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.242 -7.809 3.023 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.590 -9.445 2.765 1.00 0.00 H new ATOM 844 N THR A 58 -8.086 -9.479 5.403 1.00 0.00 N ATOM 845 CA THR A 58 -7.627 -8.844 6.627 1.00 0.00 C ATOM 846 C THR A 58 -6.156 -8.441 6.500 1.00 0.00 C ATOM 847 O THR A 58 -5.743 -7.411 7.030 1.00 0.00 O ATOM 848 CB THR A 58 -7.896 -9.804 7.788 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.314 -9.785 7.932 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.379 -9.267 9.124 1.00 0.00 C ATOM 0 H THR A 58 -7.721 -10.419 5.247 1.00 0.00 H new ATOM 0 HA THR A 58 -8.170 -7.918 6.819 1.00 0.00 H new ATOM 0 HB THR A 58 -7.429 -10.766 7.579 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.577 -10.382 8.663 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.596 -9.987 9.914 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.302 -9.110 9.061 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.871 -8.321 9.351 1.00 0.00 H new ATOM 858 N ALA A 59 -5.406 -9.276 5.796 1.00 0.00 N ATOM 859 CA ALA A 59 -3.990 -9.020 5.593 1.00 0.00 C ATOM 860 C ALA A 59 -3.670 -9.106 4.099 1.00 0.00 C ATOM 861 O ALA A 59 -4.477 -9.604 3.315 1.00 0.00 O ATOM 862 CB ALA A 59 -3.169 -10.008 6.423 1.00 0.00 C ATOM 0 H ALA A 59 -5.752 -10.130 5.359 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.729 -8.016 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.107 -9.816 6.271 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.412 -9.887 7.479 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.402 -11.026 6.112 1.00 0.00 H new ATOM 868 N PHE A 60 -2.491 -8.613 3.750 1.00 0.00 N ATOM 869 CA PHE A 60 -2.054 -8.629 2.365 1.00 0.00 C ATOM 870 C PHE A 60 -0.535 -8.784 2.270 1.00 0.00 C ATOM 871 O PHE A 60 0.180 -8.539 3.241 1.00 0.00 O ATOM 872 CB PHE A 60 -2.455 -7.284 1.754 1.00 0.00 C ATOM 873 CG PHE A 60 -2.113 -6.077 2.629 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.978 -5.672 3.598 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.944 -5.408 2.439 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.661 -4.551 4.410 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.627 -4.287 3.251 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.492 -3.882 4.219 1.00 0.00 C ATOM 0 H PHE A 60 -1.825 -8.200 4.403 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.512 -9.468 1.841 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.960 -7.173 0.789 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.528 -7.289 1.563 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.906 -6.203 3.750 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.257 -5.729 1.670 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.348 -4.230 5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.301 -3.756 3.100 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.251 -3.029 4.836 1.00 0.00 H new ATOM 888 N GLU A 61 -0.086 -9.191 1.092 1.00 0.00 N ATOM 889 CA GLU A 61 1.336 -9.383 0.858 1.00 0.00 C ATOM 890 C GLU A 61 1.836 -8.401 -0.203 1.00 0.00 C ATOM 891 O GLU A 61 1.072 -7.971 -1.065 1.00 0.00 O ATOM 892 CB GLU A 61 1.635 -10.828 0.452 1.00 0.00 C ATOM 893 CG GLU A 61 1.094 -11.812 1.491 1.00 0.00 C ATOM 894 CD GLU A 61 1.733 -13.192 1.323 1.00 0.00 C ATOM 895 OE1 GLU A 61 2.973 -13.228 1.167 1.00 0.00 O ATOM 896 OE2 GLU A 61 0.967 -14.180 1.354 1.00 0.00 O ATOM 0 H GLU A 61 -0.681 -9.393 0.289 1.00 0.00 H new ATOM 0 HA GLU A 61 1.868 -9.185 1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.187 -11.037 -0.520 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.711 -10.964 0.343 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.294 -11.434 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.012 -11.894 1.391 1.00 0.00 H new ATOM 903 N TYR A 62 3.116 -8.074 -0.104 1.00 0.00 N ATOM 904 CA TYR A 62 3.728 -7.150 -1.044 1.00 0.00 C ATOM 905 C TYR A 62 5.184 -7.532 -1.319 1.00 0.00 C ATOM 906 O TYR A 62 5.970 -7.706 -0.389 1.00 0.00 O ATOM 907 CB TYR A 62 3.691 -5.777 -0.370 1.00 0.00 C ATOM 908 CG TYR A 62 4.888 -5.499 0.541 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.117 -5.193 -0.008 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.740 -5.553 1.912 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.244 -4.931 0.849 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.866 -5.291 2.769 1.00 0.00 C ATOM 913 CZ TYR A 62 7.063 -4.993 2.196 1.00 0.00 C ATOM 914 OH TYR A 62 8.127 -4.745 3.005 1.00 0.00 O ATOM 0 H TYR A 62 3.747 -8.433 0.613 1.00 0.00 H new ATOM 0 HA TYR A 62 3.197 -7.163 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.647 -5.007 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.775 -5.696 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.233 -5.150 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.779 -5.792 2.342 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.211 -4.691 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.763 -5.330 3.843 1.00 0.00 H new ATOM 0 HH TYR A 62 7.851 -4.823 3.942 1.00 0.00 H new ATOM 924 N GLU A 63 5.500 -7.649 -2.600 1.00 0.00 N ATOM 925 CA GLU A 63 6.847 -8.007 -3.009 1.00 0.00 C ATOM 926 C GLU A 63 7.854 -6.990 -2.466 1.00 0.00 C ATOM 927 O GLU A 63 7.744 -5.796 -2.739 1.00 0.00 O ATOM 928 CB GLU A 63 6.947 -8.118 -4.532 1.00 0.00 C ATOM 929 CG GLU A 63 6.479 -9.492 -5.013 1.00 0.00 C ATOM 930 CD GLU A 63 5.353 -9.359 -6.040 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.494 -8.477 -5.829 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.378 -10.144 -7.014 1.00 0.00 O ATOM 0 H GLU A 63 4.846 -7.502 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 63 7.085 -8.985 -2.590 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.342 -7.340 -4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.977 -7.950 -4.846 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.317 -10.032 -5.455 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.133 -10.080 -4.163 1.00 0.00 H new ATOM 939 N ASP A 64 8.812 -7.501 -1.707 1.00 0.00 N ATOM 940 CA ASP A 64 9.837 -6.653 -1.124 1.00 0.00 C ATOM 941 C ASP A 64 10.962 -6.447 -2.140 1.00 0.00 C ATOM 942 O ASP A 64 10.867 -6.905 -3.278 1.00 0.00 O ATOM 943 CB ASP A 64 10.441 -7.298 0.125 1.00 0.00 C ATOM 944 CG ASP A 64 10.722 -8.797 0.007 1.00 0.00 C ATOM 945 OD1 ASP A 64 9.740 -9.545 -0.191 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.913 -9.162 0.116 1.00 0.00 O ATOM 0 H ASP A 64 8.900 -8.492 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 64 9.374 -5.704 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.373 -6.787 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.763 -7.136 0.963 1.00 0.00 H new ATOM 951 N GLU A 65 12.001 -5.757 -1.693 1.00 0.00 N ATOM 952 CA GLU A 65 13.143 -5.485 -2.550 1.00 0.00 C ATOM 953 C GLU A 65 13.744 -6.794 -3.065 1.00 0.00 C ATOM 954 O GLU A 65 14.378 -6.817 -4.119 1.00 0.00 O ATOM 955 CB GLU A 65 14.194 -4.651 -1.814 1.00 0.00 C ATOM 956 CG GLU A 65 14.436 -5.194 -0.404 1.00 0.00 C ATOM 957 CD GLU A 65 15.835 -4.824 0.093 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.075 -3.609 0.259 1.00 0.00 O ATOM 959 OE2 GLU A 65 16.632 -5.765 0.296 1.00 0.00 O ATOM 0 H GLU A 65 12.076 -5.378 -0.749 1.00 0.00 H new ATOM 0 HA GLU A 65 12.800 -4.904 -3.406 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.128 -4.659 -2.376 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.865 -3.613 -1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 65 13.686 -4.793 0.278 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.321 -6.278 -0.403 1.00 0.00 H new ATOM 966 N ASP A 66 13.524 -7.851 -2.298 1.00 0.00 N ATOM 967 CA ASP A 66 14.036 -9.161 -2.664 1.00 0.00 C ATOM 968 C ASP A 66 12.894 -10.011 -3.225 1.00 0.00 C ATOM 969 O ASP A 66 13.002 -11.235 -3.293 1.00 0.00 O ATOM 970 CB ASP A 66 14.612 -9.887 -1.447 1.00 0.00 C ATOM 971 CG ASP A 66 16.131 -10.067 -1.461 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.659 -10.356 -2.557 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.731 -9.912 -0.376 1.00 0.00 O ATOM 0 H ASP A 66 12.998 -7.827 -1.424 1.00 0.00 H new ATOM 0 HA ASP A 66 14.822 -9.021 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.335 -9.335 -0.549 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.145 -10.869 -1.374 1.00 0.00 H new ATOM 978 N GLY A 67 11.827 -9.330 -3.614 1.00 0.00 N ATOM 979 CA GLY A 67 10.667 -10.008 -4.167 1.00 0.00 C ATOM 980 C GLY A 67 10.422 -11.342 -3.459 1.00 0.00 C ATOM 981 O GLY A 67 10.405 -12.393 -4.098 1.00 0.00 O ATOM 0 H GLY A 67 11.741 -8.315 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.787 -9.372 -4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.816 -10.180 -5.233 1.00 0.00 H new ATOM 985 N ASP A 68 10.239 -11.257 -2.150 1.00 0.00 N ATOM 986 CA ASP A 68 9.997 -12.444 -1.349 1.00 0.00 C ATOM 987 C ASP A 68 8.557 -12.421 -0.833 1.00 0.00 C ATOM 988 O ASP A 68 8.151 -13.301 -0.076 1.00 0.00 O ATOM 989 CB ASP A 68 10.932 -12.493 -0.139 1.00 0.00 C ATOM 990 CG ASP A 68 11.272 -13.899 0.359 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.684 -14.718 -0.491 1.00 0.00 O ATOM 992 OD2 ASP A 68 11.114 -14.123 1.578 1.00 0.00 O ATOM 0 H ASP A 68 10.254 -10.383 -1.624 1.00 0.00 H new ATOM 0 HA ASP A 68 10.175 -13.316 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.859 -11.980 -0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.474 -11.935 0.678 1.00 0.00 H new ATOM 997 N ARG A 69 7.824 -11.404 -1.263 1.00 0.00 N ATOM 998 CA ARG A 69 6.438 -11.255 -0.854 1.00 0.00 C ATOM 999 C ARG A 69 6.336 -11.217 0.672 1.00 0.00 C ATOM 1000 O ARG A 69 6.465 -12.247 1.332 1.00 0.00 O ATOM 1001 CB ARG A 69 5.579 -12.403 -1.388 1.00 0.00 C ATOM 1002 CG ARG A 69 5.481 -12.351 -2.914 1.00 0.00 C ATOM 1003 CD ARG A 69 4.235 -11.583 -3.358 1.00 0.00 C ATOM 1004 NE ARG A 69 3.892 -11.937 -4.753 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.205 -13.034 -5.102 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.785 -13.889 -4.160 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.940 -13.275 -6.393 1.00 0.00 N ATOM 0 H ARG A 69 8.164 -10.675 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 69 6.069 -10.317 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 69 6.008 -13.357 -1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.581 -12.347 -0.954 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.372 -11.874 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.450 -13.364 -3.315 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.399 -11.817 -2.699 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.412 -10.510 -3.279 1.00 0.00 H new ATOM 0 HE ARG A 69 4.197 -11.307 -5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.988 -13.705 -3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.262 -14.724 -4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.261 -12.624 -7.110 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.417 -14.109 -6.659 1.00 0.00 H new ATOM 1021 N ILE A 70 6.106 -10.019 1.188 1.00 0.00 N ATOM 1022 CA ILE A 70 5.985 -9.834 2.624 1.00 0.00 C ATOM 1023 C ILE A 70 4.526 -10.035 3.039 1.00 0.00 C ATOM 1024 O ILE A 70 3.661 -10.255 2.193 1.00 0.00 O ATOM 1025 CB ILE A 70 6.561 -8.479 3.040 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.791 -8.126 2.202 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.862 -8.449 4.540 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.920 -9.133 2.432 1.00 0.00 C ATOM 0 H ILE A 70 6.000 -9.167 0.638 1.00 0.00 H new ATOM 0 HA ILE A 70 6.574 -10.582 3.155 1.00 0.00 H new ATOM 0 HB ILE A 70 5.809 -7.714 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.523 -8.110 1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.135 -7.124 2.459 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.270 -7.475 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.943 -8.625 5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.587 -9.226 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.782 -8.858 1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.202 -9.129 3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.581 -10.130 2.151 1.00 0.00 H new ATOM 1040 N THR A 71 4.298 -9.952 4.342 1.00 0.00 N ATOM 1041 CA THR A 71 2.958 -10.122 4.879 1.00 0.00 C ATOM 1042 C THR A 71 2.656 -9.034 5.912 1.00 0.00 C ATOM 1043 O THR A 71 3.329 -8.943 6.938 1.00 0.00 O ATOM 1044 CB THR A 71 2.851 -11.541 5.442 1.00 0.00 C ATOM 1045 OG1 THR A 71 3.293 -12.373 4.373 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.401 -11.971 5.674 1.00 0.00 C ATOM 0 H THR A 71 5.018 -9.769 5.041 1.00 0.00 H new ATOM 0 HA THR A 71 2.202 -10.007 4.102 1.00 0.00 H new ATOM 0 HB THR A 71 3.402 -11.602 6.380 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.257 -13.312 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.382 -12.985 6.074 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.929 -11.292 6.384 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.858 -11.943 4.730 1.00 0.00 H new ATOM 1054 N VAL A 72 1.643 -8.237 5.605 1.00 0.00 N ATOM 1055 CA VAL A 72 1.244 -7.159 6.493 1.00 0.00 C ATOM 1056 C VAL A 72 0.060 -7.619 7.347 1.00 0.00 C ATOM 1057 O VAL A 72 -1.093 -7.482 6.942 1.00 0.00 O ATOM 1058 CB VAL A 72 0.941 -5.897 5.682 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.491 -4.754 6.595 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.149 -5.484 4.840 1.00 0.00 C ATOM 0 H VAL A 72 1.087 -8.316 4.754 1.00 0.00 H new ATOM 0 HA VAL A 72 2.057 -6.905 7.173 1.00 0.00 H new ATOM 0 HB VAL A 72 0.121 -6.124 5.001 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.282 -3.869 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.411 -5.050 7.131 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.281 -4.528 7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.907 -4.585 4.273 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.997 -5.284 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.405 -6.289 4.151 1.00 0.00 H new ATOM 1070 N ARG A 73 0.387 -8.157 8.513 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.635 -8.639 9.427 1.00 0.00 C ATOM 1072 C ARG A 73 -0.817 -7.656 10.586 1.00 0.00 C ATOM 1073 O ARG A 73 -1.531 -7.946 11.544 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.268 -10.015 9.987 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.530 -11.114 8.956 1.00 0.00 C ATOM 1076 CD ARG A 73 -0.801 -12.455 9.640 1.00 0.00 C ATOM 1077 NE ARG A 73 -1.773 -13.241 8.847 1.00 0.00 N ATOM 1078 CZ ARG A 73 -2.361 -14.365 9.280 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -2.080 -14.841 10.500 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -3.231 -15.012 8.492 1.00 0.00 N ATOM 0 H ARG A 73 1.345 -8.270 8.846 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.567 -8.723 8.868 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.783 -10.025 10.276 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.848 -10.211 10.889 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.383 -10.839 8.336 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.330 -11.207 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 73 0.129 -13.013 9.746 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -1.189 -12.288 10.645 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.010 -12.906 7.913 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.418 -14.348 11.100 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.528 -15.696 10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.445 -14.649 7.563 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.679 -15.867 8.821 1.00 0.00 H new ATOM 1094 N SER A 74 -0.158 -6.514 10.459 1.00 0.00 N ATOM 1095 CA SER A 74 -0.238 -5.487 11.484 1.00 0.00 C ATOM 1096 C SER A 74 0.230 -4.145 10.917 1.00 0.00 C ATOM 1097 O SER A 74 0.894 -4.101 9.883 1.00 0.00 O ATOM 1098 CB SER A 74 0.596 -5.865 12.710 1.00 0.00 C ATOM 1099 OG SER A 74 -0.125 -5.678 13.924 1.00 0.00 O ATOM 0 H SER A 74 0.433 -6.277 9.662 1.00 0.00 H new ATOM 0 HA SER A 74 -1.278 -5.399 11.799 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.907 -6.907 12.630 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.504 -5.262 12.731 1.00 0.00 H new ATOM 0 HG SER A 74 0.441 -5.932 14.683 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.134 -3.082 11.620 1.00 0.00 N ATOM 1106 CA ASP A 75 0.240 -1.743 11.200 1.00 0.00 C ATOM 1107 C ASP A 75 1.762 -1.663 11.060 1.00 0.00 C ATOM 1108 O ASP A 75 2.272 -0.992 10.165 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.195 -0.700 12.232 1.00 0.00 C ATOM 1110 CG ASP A 75 0.516 0.650 12.126 1.00 0.00 C ATOM 1111 OD1 ASP A 75 0.725 1.093 10.976 1.00 0.00 O ATOM 1112 OD2 ASP A 75 0.834 1.210 13.198 1.00 0.00 O ATOM 0 H ASP A 75 -0.684 -3.122 12.478 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.253 -1.538 10.250 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.268 -0.537 12.132 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.026 -1.105 13.230 1.00 0.00 H new ATOM 1117 N GLU A 76 2.443 -2.357 11.960 1.00 0.00 N ATOM 1118 CA GLU A 76 3.896 -2.373 11.948 1.00 0.00 C ATOM 1119 C GLU A 76 4.412 -2.699 10.545 1.00 0.00 C ATOM 1120 O GLU A 76 5.167 -1.923 9.961 1.00 0.00 O ATOM 1121 CB GLU A 76 4.442 -3.366 12.977 1.00 0.00 C ATOM 1122 CG GLU A 76 5.846 -2.964 13.435 1.00 0.00 C ATOM 1123 CD GLU A 76 6.026 -3.215 14.934 1.00 0.00 C ATOM 1124 OE1 GLU A 76 6.290 -4.385 15.286 1.00 0.00 O ATOM 1125 OE2 GLU A 76 5.896 -2.231 15.693 1.00 0.00 O ATOM 0 H GLU A 76 2.016 -2.912 12.702 1.00 0.00 H new ATOM 0 HA GLU A 76 4.253 -1.381 12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.773 -3.409 13.837 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.469 -4.366 12.544 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.591 -3.530 12.876 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.016 -1.910 13.216 1.00 0.00 H new ATOM 1132 N GLU A 77 3.985 -3.849 10.044 1.00 0.00 N ATOM 1133 CA GLU A 77 4.394 -4.287 8.721 1.00 0.00 C ATOM 1134 C GLU A 77 4.077 -3.208 7.683 1.00 0.00 C ATOM 1135 O GLU A 77 4.905 -2.904 6.826 1.00 0.00 O ATOM 1136 CB GLU A 77 3.729 -5.615 8.352 1.00 0.00 C ATOM 1137 CG GLU A 77 4.511 -6.798 8.925 1.00 0.00 C ATOM 1138 CD GLU A 77 3.669 -7.572 9.941 1.00 0.00 C ATOM 1139 OE1 GLU A 77 2.428 -7.528 9.800 1.00 0.00 O ATOM 1140 OE2 GLU A 77 4.285 -8.190 10.836 1.00 0.00 O ATOM 0 H GLU A 77 3.360 -4.491 10.531 1.00 0.00 H new ATOM 0 HA GLU A 77 5.472 -4.449 8.731 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.707 -5.632 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.668 -5.706 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 77 4.814 -7.463 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.423 -6.439 9.402 1.00 0.00 H new ATOM 1147 N MET A 78 2.876 -2.660 7.794 1.00 0.00 N ATOM 1148 CA MET A 78 2.439 -1.622 6.876 1.00 0.00 C ATOM 1149 C MET A 78 3.534 -0.571 6.676 1.00 0.00 C ATOM 1150 O MET A 78 4.053 -0.414 5.572 1.00 0.00 O ATOM 1151 CB MET A 78 1.181 -0.949 7.428 1.00 0.00 C ATOM 1152 CG MET A 78 -0.009 -1.160 6.489 1.00 0.00 C ATOM 1153 SD MET A 78 -0.235 0.278 5.456 1.00 0.00 S ATOM 1154 CE MET A 78 -0.896 1.422 6.657 1.00 0.00 C ATOM 0 H MET A 78 2.192 -2.915 8.506 1.00 0.00 H new ATOM 0 HA MET A 78 2.222 -2.083 5.912 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.949 -1.355 8.412 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.362 0.118 7.558 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.158 -2.041 5.869 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.912 -1.346 7.070 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.880 1.760 6.334 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.982 0.925 7.623 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.229 2.280 6.748 1.00 0.00 H new ATOM 1164 N LYS A 79 3.852 0.120 7.760 1.00 0.00 N ATOM 1165 CA LYS A 79 4.875 1.151 7.717 1.00 0.00 C ATOM 1166 C LYS A 79 6.101 0.616 6.973 1.00 0.00 C ATOM 1167 O LYS A 79 6.694 1.322 6.159 1.00 0.00 O ATOM 1168 CB LYS A 79 5.185 1.658 9.127 1.00 0.00 C ATOM 1169 CG LYS A 79 3.978 2.383 9.726 1.00 0.00 C ATOM 1170 CD LYS A 79 3.819 2.051 11.211 1.00 0.00 C ATOM 1171 CE LYS A 79 3.998 3.301 12.074 1.00 0.00 C ATOM 1172 NZ LYS A 79 2.701 3.722 12.651 1.00 0.00 N ATOM 0 H LYS A 79 3.419 -0.014 8.674 1.00 0.00 H new ATOM 0 HA LYS A 79 4.518 2.019 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.464 0.820 9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.040 2.333 9.095 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.097 3.459 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.074 2.098 9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.833 1.621 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.552 1.298 11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.710 3.099 12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.415 4.109 11.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.870 4.320 13.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.164 4.261 11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.157 2.881 12.932 1.00 0.00 H new ATOM 1186 N ALA A 80 6.444 -0.627 7.280 1.00 0.00 N ATOM 1187 CA ALA A 80 7.588 -1.264 6.651 1.00 0.00 C ATOM 1188 C ALA A 80 7.375 -1.304 5.136 1.00 0.00 C ATOM 1189 O ALA A 80 8.197 -0.794 4.377 1.00 0.00 O ATOM 1190 CB ALA A 80 7.788 -2.658 7.248 1.00 0.00 C ATOM 0 H ALA A 80 5.950 -1.209 7.956 1.00 0.00 H new ATOM 0 HA ALA A 80 8.497 -0.694 6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.646 -3.136 6.776 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.964 -2.573 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.896 -3.260 7.074 1.00 0.00 H new ATOM 1196 N MET A 81 6.267 -1.915 4.742 1.00 0.00 N ATOM 1197 CA MET A 81 5.936 -2.028 3.332 1.00 0.00 C ATOM 1198 C MET A 81 6.046 -0.671 2.633 1.00 0.00 C ATOM 1199 O MET A 81 6.544 -0.586 1.511 1.00 0.00 O ATOM 1200 CB MET A 81 4.511 -2.564 3.184 1.00 0.00 C ATOM 1201 CG MET A 81 4.060 -2.528 1.722 1.00 0.00 C ATOM 1202 SD MET A 81 2.362 -3.061 1.593 1.00 0.00 S ATOM 1203 CE MET A 81 1.529 -1.577 2.130 1.00 0.00 C ATOM 0 H MET A 81 5.587 -2.337 5.375 1.00 0.00 H new ATOM 0 HA MET A 81 6.643 -2.715 2.866 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.463 -3.587 3.558 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.830 -1.969 3.793 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.164 -1.518 1.326 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.699 -3.174 1.120 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.078 -1.747 3.108 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.248 -0.761 2.199 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.752 -1.316 1.412 1.00 0.00 H new ATOM 1213 N LEU A 82 5.574 0.355 3.324 1.00 0.00 N ATOM 1214 CA LEU A 82 5.613 1.703 2.783 1.00 0.00 C ATOM 1215 C LEU A 82 7.053 2.221 2.819 1.00 0.00 C ATOM 1216 O LEU A 82 7.567 2.705 1.812 1.00 0.00 O ATOM 1217 CB LEU A 82 4.617 2.604 3.516 1.00 0.00 C ATOM 1218 CG LEU A 82 3.137 2.339 3.231 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.294 2.531 4.493 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.639 3.203 2.072 1.00 0.00 C ATOM 0 H LEU A 82 5.162 0.280 4.254 1.00 0.00 H new ATOM 0 HA LEU A 82 5.299 1.704 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.784 2.500 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.836 3.640 3.258 1.00 0.00 H new ATOM 0 HG LEU A 82 3.028 1.298 2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.246 2.337 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.631 1.839 5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.403 3.555 4.851 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.585 2.995 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.763 4.256 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.214 2.974 1.175 1.00 0.00 H new ATOM 1232 N SER A 83 7.661 2.101 3.990 1.00 0.00 N ATOM 1233 CA SER A 83 9.031 2.550 4.170 1.00 0.00 C ATOM 1234 C SER A 83 9.910 2.021 3.035 1.00 0.00 C ATOM 1235 O SER A 83 10.789 2.728 2.544 1.00 0.00 O ATOM 1236 CB SER A 83 9.585 2.100 5.524 1.00 0.00 C ATOM 1237 OG SER A 83 9.828 3.202 6.394 1.00 0.00 O ATOM 0 H SER A 83 7.230 1.700 4.823 1.00 0.00 H new ATOM 0 HA SER A 83 9.038 3.640 4.148 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.880 1.415 5.995 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.512 1.548 5.371 1.00 0.00 H new ATOM 0 HG SER A 83 10.179 2.873 7.248 1.00 0.00 H new ATOM 1243 N TYR A 84 9.641 0.782 2.650 1.00 0.00 N ATOM 1244 CA TYR A 84 10.396 0.150 1.582 1.00 0.00 C ATOM 1245 C TYR A 84 10.027 0.747 0.222 1.00 0.00 C ATOM 1246 O TYR A 84 10.857 1.379 -0.429 1.00 0.00 O ATOM 1247 CB TYR A 84 9.999 -1.327 1.602 1.00 0.00 C ATOM 1248 CG TYR A 84 9.908 -1.966 0.214 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.024 -2.020 -0.596 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.709 -2.488 -0.227 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.937 -2.621 -1.901 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.622 -3.089 -1.533 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.741 -3.126 -2.305 1.00 0.00 C ATOM 1254 OH TYR A 84 9.659 -3.694 -3.539 1.00 0.00 O ATOM 0 H TYR A 84 8.911 0.199 3.059 1.00 0.00 H new ATOM 0 HA TYR A 84 11.466 0.297 1.729 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.725 -1.880 2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.035 -1.427 2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.962 -1.611 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.836 -2.446 0.407 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.803 -2.670 -2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.690 -3.501 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 84 9.044 -4.456 -3.508 1.00 0.00 H new ATOM 1264 N TYR A 85 8.779 0.525 -0.166 1.00 0.00 N ATOM 1265 CA TYR A 85 8.290 1.033 -1.437 1.00 0.00 C ATOM 1266 C TYR A 85 8.907 2.395 -1.757 1.00 0.00 C ATOM 1267 O TYR A 85 9.339 2.636 -2.884 1.00 0.00 O ATOM 1268 CB TYR A 85 6.778 1.198 -1.270 1.00 0.00 C ATOM 1269 CG TYR A 85 6.052 1.610 -2.552 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.945 0.720 -3.602 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.504 2.872 -2.660 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.262 1.108 -4.808 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.821 3.260 -3.867 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.734 2.359 -4.881 1.00 0.00 C ATOM 1275 OH TYR A 85 4.089 2.726 -6.021 1.00 0.00 O ATOM 0 H TYR A 85 8.093 0.001 0.377 1.00 0.00 H new ATOM 0 HA TYR A 85 8.550 0.353 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.358 0.258 -0.913 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.587 1.946 -0.500 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.374 -0.268 -3.518 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.587 3.569 -1.839 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.171 0.421 -5.636 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.388 4.244 -3.964 1.00 0.00 H new ATOM 0 HH TYR A 85 4.686 2.605 -6.788 1.00 0.00 H new ATOM 1285 N TYR A 86 8.930 3.252 -0.746 1.00 0.00 N ATOM 1286 CA TYR A 86 9.487 4.584 -0.906 1.00 0.00 C ATOM 1287 C TYR A 86 11.013 4.532 -1.002 1.00 0.00 C ATOM 1288 O TYR A 86 11.603 5.128 -1.901 1.00 0.00 O ATOM 1289 CB TYR A 86 9.093 5.360 0.352 1.00 0.00 C ATOM 1290 CG TYR A 86 7.583 5.496 0.552 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.742 5.529 -0.543 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.060 5.585 1.826 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.320 5.657 -0.355 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.638 5.713 2.014 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.838 5.743 0.914 1.00 0.00 C ATOM 1296 OH TYR A 86 3.496 5.864 1.092 1.00 0.00 O ATOM 0 H TYR A 86 8.572 3.049 0.187 1.00 0.00 H new ATOM 0 HA TYR A 86 9.113 5.049 -1.818 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.521 4.862 1.222 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.534 6.356 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.151 5.459 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.717 5.559 2.682 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.651 5.684 -1.203 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.216 5.784 3.006 1.00 0.00 H new ATOM 0 HH TYR A 86 3.076 6.127 0.246 1.00 0.00 H new ATOM 1306 N SER A 87 11.609 3.812 -0.062 1.00 0.00 N ATOM 1307 CA SER A 87 13.055 3.674 -0.029 1.00 0.00 C ATOM 1308 C SER A 87 13.565 3.181 -1.385 1.00 0.00 C ATOM 1309 O SER A 87 14.696 3.473 -1.771 1.00 0.00 O ATOM 1310 CB SER A 87 13.492 2.718 1.082 1.00 0.00 C ATOM 1311 OG SER A 87 14.136 3.403 2.153 1.00 0.00 O ATOM 0 H SER A 87 11.116 3.318 0.682 1.00 0.00 H new ATOM 0 HA SER A 87 13.487 4.653 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.622 2.184 1.464 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.170 1.970 0.671 1.00 0.00 H new ATOM 0 HG SER A 87 14.398 2.758 2.843 1.00 0.00 H new ATOM 1317 N THR A 88 12.706 2.441 -2.071 1.00 0.00 N ATOM 1318 CA THR A 88 13.055 1.904 -3.375 1.00 0.00 C ATOM 1319 C THR A 88 12.527 2.815 -4.485 1.00 0.00 C ATOM 1320 O THR A 88 13.258 3.154 -5.414 1.00 0.00 O ATOM 1321 CB THR A 88 12.519 0.473 -3.456 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.519 -0.231 -4.188 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.270 0.365 -4.333 1.00 0.00 C ATOM 0 H THR A 88 11.769 2.201 -1.748 1.00 0.00 H new ATOM 0 HA THR A 88 14.136 1.869 -3.513 1.00 0.00 H new ATOM 0 HB THR A 88 12.290 0.113 -2.453 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.253 -1.169 -4.286 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.931 -0.671 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.482 0.996 -3.923 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.507 0.692 -5.345 1.00 0.00 H new ATOM 1331 N VAL A 89 11.262 3.184 -4.352 1.00 0.00 N ATOM 1332 CA VAL A 89 10.628 4.049 -5.332 1.00 0.00 C ATOM 1333 C VAL A 89 11.536 5.247 -5.613 1.00 0.00 C ATOM 1334 O VAL A 89 11.805 5.571 -6.769 1.00 0.00 O ATOM 1335 CB VAL A 89 9.234 4.456 -4.848 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.788 5.766 -5.500 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.218 3.342 -5.105 1.00 0.00 C ATOM 0 H VAL A 89 10.659 2.900 -3.580 1.00 0.00 H new ATOM 0 HA VAL A 89 10.488 3.519 -6.274 1.00 0.00 H new ATOM 0 HB VAL A 89 9.287 4.619 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.795 6.032 -5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.492 6.558 -5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.759 5.642 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.236 3.657 -4.752 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.170 3.133 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.523 2.441 -4.573 1.00 0.00 H new ATOM 1347 N MET A 90 11.985 5.874 -4.535 1.00 0.00 N ATOM 1348 CA MET A 90 12.858 7.030 -4.651 1.00 0.00 C ATOM 1349 C MET A 90 14.117 6.688 -5.451 1.00 0.00 C ATOM 1350 O MET A 90 14.668 7.543 -6.143 1.00 0.00 O ATOM 1351 CB MET A 90 13.256 7.511 -3.254 1.00 0.00 C ATOM 1352 CG MET A 90 14.364 6.633 -2.667 1.00 0.00 C ATOM 1353 SD MET A 90 14.852 7.255 -1.067 1.00 0.00 S ATOM 1354 CE MET A 90 16.622 7.061 -1.186 1.00 0.00 C ATOM 0 H MET A 90 11.761 5.603 -3.578 1.00 0.00 H new ATOM 0 HA MET A 90 12.319 7.818 -5.177 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.595 8.546 -3.305 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.386 7.493 -2.597 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.014 5.605 -2.575 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.223 6.619 -3.338 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.089 7.405 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.863 6.010 -1.345 1.00 0.00 H new ATOM 0 HE3 MET A 90 16.997 7.650 -2.023 1.00 0.00 H new ATOM 1364 N GLU A 91 14.535 5.437 -5.331 1.00 0.00 N ATOM 1365 CA GLU A 91 15.718 4.972 -6.034 1.00 0.00 C ATOM 1366 C GLU A 91 15.411 4.782 -7.521 1.00 0.00 C ATOM 1367 O GLU A 91 16.306 4.873 -8.360 1.00 0.00 O ATOM 1368 CB GLU A 91 16.251 3.678 -5.415 1.00 0.00 C ATOM 1369 CG GLU A 91 17.003 3.963 -4.113 1.00 0.00 C ATOM 1370 CD GLU A 91 17.500 2.666 -3.472 1.00 0.00 C ATOM 1371 OE1 GLU A 91 16.645 1.946 -2.911 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.723 2.423 -3.557 1.00 0.00 O ATOM 0 H GLU A 91 14.075 4.730 -4.757 1.00 0.00 H new ATOM 0 HA GLU A 91 16.496 5.730 -5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.423 2.996 -5.220 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.915 3.179 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.849 4.621 -4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.348 4.489 -3.418 1.00 0.00 H new ATOM 1379 N GLN A 92 14.143 4.521 -7.802 1.00 0.00 N ATOM 1380 CA GLN A 92 13.706 4.317 -9.173 1.00 0.00 C ATOM 1381 C GLN A 92 13.651 5.653 -9.916 1.00 0.00 C ATOM 1382 O GLN A 92 13.784 5.694 -11.138 1.00 0.00 O ATOM 1383 CB GLN A 92 12.352 3.608 -9.218 1.00 0.00 C ATOM 1384 CG GLN A 92 12.509 2.109 -8.955 1.00 0.00 C ATOM 1385 CD GLN A 92 11.478 1.302 -9.748 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.752 0.775 -10.813 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.282 1.236 -9.171 1.00 0.00 N ATOM 0 H GLN A 92 13.404 4.446 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 92 14.431 3.675 -9.673 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.685 4.043 -8.474 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.888 3.763 -10.192 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.515 1.791 -9.230 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.392 1.909 -7.890 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.120 1.701 -8.278 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.526 0.720 -9.622 1.00 0.00 H new ATOM 1396 N GLN A 93 13.453 6.714 -9.147 1.00 0.00 N ATOM 1397 CA GLN A 93 13.377 8.048 -9.717 1.00 0.00 C ATOM 1398 C GLN A 93 14.782 8.584 -10.001 1.00 0.00 C ATOM 1399 O GLN A 93 15.038 9.127 -11.075 1.00 0.00 O ATOM 1400 CB GLN A 93 12.605 8.995 -8.797 1.00 0.00 C ATOM 1401 CG GLN A 93 11.193 8.470 -8.531 1.00 0.00 C ATOM 1402 CD GLN A 93 10.179 9.616 -8.493 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.236 10.555 -9.269 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.251 9.486 -7.549 1.00 0.00 N ATOM 0 H GLN A 93 13.343 6.676 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 93 12.834 7.988 -10.660 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.139 9.107 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.550 9.984 -9.251 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.914 7.758 -9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.174 7.931 -7.584 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.261 8.674 -6.932 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.529 10.198 -7.442 1.00 0.00 H new ATOM 1413 N VAL A 94 15.655 8.414 -9.019 1.00 0.00 N ATOM 1414 CA VAL A 94 17.027 8.874 -9.149 1.00 0.00 C ATOM 1415 C VAL A 94 17.687 8.167 -10.335 1.00 0.00 C ATOM 1416 O VAL A 94 18.592 8.715 -10.964 1.00 0.00 O ATOM 1417 CB VAL A 94 17.778 8.661 -7.833 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.919 9.079 -6.638 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.241 7.209 -7.695 1.00 0.00 C ATOM 0 H VAL A 94 15.439 7.964 -8.130 1.00 0.00 H new ATOM 0 HA VAL A 94 17.053 9.944 -9.353 1.00 0.00 H new ATOM 0 HB VAL A 94 18.664 9.295 -7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.476 8.917 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.662 10.134 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.006 8.483 -6.620 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.772 7.085 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.375 6.548 -7.714 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.906 6.959 -8.521 1.00 0.00 H new ATOM 1429 N ASN A 95 17.209 6.961 -10.605 1.00 0.00 N ATOM 1430 CA ASN A 95 17.741 6.174 -11.704 1.00 0.00 C ATOM 1431 C ASN A 95 17.160 6.688 -13.022 1.00 0.00 C ATOM 1432 O ASN A 95 17.897 7.154 -13.890 1.00 0.00 O ATOM 1433 CB ASN A 95 17.358 4.700 -11.561 1.00 0.00 C ATOM 1434 CG ASN A 95 18.522 3.883 -10.996 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.144 3.085 -11.679 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.780 4.124 -9.714 1.00 0.00 N ATOM 0 H ASN A 95 16.459 6.510 -10.081 1.00 0.00 H new ATOM 0 HA ASN A 95 18.827 6.267 -11.691 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.492 4.608 -10.905 1.00 0.00 H new ATOM 0 HB3 ASN A 95 17.066 4.301 -12.532 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.537 3.628 -9.244 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.221 4.805 -9.200 1.00 0.00 H new ATOM 1443 N GLY A 96 15.843 6.586 -13.131 1.00 0.00 N ATOM 1444 CA GLY A 96 15.155 7.035 -14.329 1.00 0.00 C ATOM 1445 C GLY A 96 13.882 6.219 -14.569 1.00 0.00 C ATOM 1446 O GLY A 96 12.811 6.783 -14.789 1.00 0.00 O ATOM 0 H GLY A 96 15.235 6.199 -12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.902 8.091 -14.233 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.818 6.943 -15.189 1.00 0.00 H new ATOM 1450 N GLN A 97 14.042 4.905 -14.518 1.00 0.00 N ATOM 1451 CA GLN A 97 12.920 4.006 -14.726 1.00 0.00 C ATOM 1452 C GLN A 97 11.664 4.558 -14.047 1.00 0.00 C ATOM 1453 O GLN A 97 11.757 5.272 -13.050 1.00 0.00 O ATOM 1454 CB GLN A 97 13.243 2.599 -14.220 1.00 0.00 C ATOM 1455 CG GLN A 97 13.841 2.646 -12.813 1.00 0.00 C ATOM 1456 CD GLN A 97 14.781 1.462 -12.577 1.00 0.00 C ATOM 1457 OE1 GLN A 97 16.037 1.684 -12.954 1.00 0.00 O flip ATOM 1458 NE2 GLN A 97 14.392 0.416 -12.085 1.00 0.00 N flip ATOM 0 H GLN A 97 14.932 4.441 -14.336 1.00 0.00 H new ATOM 0 HA GLN A 97 12.730 3.936 -15.797 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.336 1.994 -14.214 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.944 2.116 -14.901 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.386 3.580 -12.677 1.00 0.00 H new ATOM 0 HG3 GLN A 97 13.041 2.633 -12.073 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.413 0.311 -11.817 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.045 -0.354 -11.941 1.00 0.00 H new ATOM 1467 N LEU A 98 10.520 4.206 -14.615 1.00 0.00 N ATOM 1468 CA LEU A 98 9.248 4.657 -14.077 1.00 0.00 C ATOM 1469 C LEU A 98 8.978 3.943 -12.751 1.00 0.00 C ATOM 1470 O LEU A 98 9.475 2.841 -12.523 1.00 0.00 O ATOM 1471 CB LEU A 98 8.135 4.476 -15.110 1.00 0.00 C ATOM 1472 CG LEU A 98 7.921 5.642 -16.078 1.00 0.00 C ATOM 1473 CD1 LEU A 98 7.156 5.188 -17.323 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.233 6.816 -15.378 1.00 0.00 C ATOM 0 H LEU A 98 10.447 3.614 -15.442 1.00 0.00 H new ATOM 0 HA LEU A 98 9.282 5.725 -13.863 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.350 3.581 -15.693 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.200 4.294 -14.580 1.00 0.00 H new ATOM 0 HG LEU A 98 8.898 5.993 -16.411 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.017 6.036 -17.994 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.722 4.409 -17.834 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.183 4.795 -17.029 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.093 7.631 -16.088 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.263 6.495 -14.998 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.852 7.159 -14.549 1.00 0.00 H new ATOM 1486 N ILE A 99 8.192 4.600 -11.911 1.00 0.00 N ATOM 1487 CA ILE A 99 7.850 4.042 -10.614 1.00 0.00 C ATOM 1488 C ILE A 99 6.742 3.001 -10.787 1.00 0.00 C ATOM 1489 O ILE A 99 5.867 3.157 -11.638 1.00 0.00 O ATOM 1490 CB ILE A 99 7.498 5.157 -9.627 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.611 6.205 -9.563 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.171 4.584 -8.246 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.893 5.609 -8.980 1.00 0.00 C ATOM 0 H ILE A 99 7.782 5.514 -12.104 1.00 0.00 H new ATOM 0 HA ILE A 99 8.708 3.526 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 99 6.601 5.661 -9.988 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.808 6.593 -10.562 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.287 7.048 -8.952 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.924 5.397 -7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.321 3.906 -8.325 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.035 4.039 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.668 6.375 -8.946 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.699 5.244 -7.971 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.228 4.782 -9.607 1.00 0.00 H new ATOM 1505 N GLU A 100 6.816 1.963 -9.967 1.00 0.00 N ATOM 1506 CA GLU A 100 5.830 0.897 -10.019 1.00 0.00 C ATOM 1507 C GLU A 100 4.850 1.023 -8.850 1.00 0.00 C ATOM 1508 O GLU A 100 5.209 1.524 -7.786 1.00 0.00 O ATOM 1509 CB GLU A 100 6.506 -0.475 -10.022 1.00 0.00 C ATOM 1510 CG GLU A 100 7.328 -0.678 -11.297 1.00 0.00 C ATOM 1511 CD GLU A 100 6.436 -1.115 -12.461 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.466 -0.378 -12.740 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.744 -2.177 -13.045 1.00 0.00 O ATOM 0 H GLU A 100 7.543 1.837 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 100 5.270 0.992 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.153 -0.568 -9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.751 -1.257 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.840 0.249 -11.555 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.098 -1.430 -11.122 1.00 0.00 H new ATOM 1520 N PRO A 101 3.599 0.547 -9.095 1.00 0.00 N ATOM 1521 CA PRO A 101 2.565 0.601 -8.076 1.00 0.00 C ATOM 1522 C PRO A 101 2.798 -0.463 -7.002 1.00 0.00 C ATOM 1523 O PRO A 101 3.225 -1.575 -7.307 1.00 0.00 O ATOM 1524 CB PRO A 101 1.259 0.410 -8.829 1.00 0.00 C ATOM 1525 CG PRO A 101 1.637 -0.206 -10.167 1.00 0.00 C ATOM 1526 CD PRO A 101 3.139 -0.053 -10.344 1.00 0.00 C ATOM 0 HA PRO A 101 2.560 1.545 -7.532 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.581 -0.241 -8.277 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.745 1.361 -8.968 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.355 -1.258 -10.196 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.105 0.289 -10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.617 -1.016 -10.520 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.375 0.581 -11.199 1.00 0.00 H new ATOM 1534 N LEU A 102 2.506 -0.085 -5.766 1.00 0.00 N ATOM 1535 CA LEU A 102 2.678 -0.994 -4.645 1.00 0.00 C ATOM 1536 C LEU A 102 1.786 -2.221 -4.848 1.00 0.00 C ATOM 1537 O LEU A 102 0.683 -2.287 -4.309 1.00 0.00 O ATOM 1538 CB LEU A 102 2.430 -0.266 -3.322 1.00 0.00 C ATOM 1539 CG LEU A 102 2.639 -1.093 -2.052 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.976 -1.835 -2.095 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.507 -0.220 -0.802 1.00 0.00 C ATOM 0 H LEU A 102 2.151 0.838 -5.516 1.00 0.00 H new ATOM 0 HA LEU A 102 3.707 -1.351 -4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.088 0.602 -3.279 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.407 0.109 -3.323 1.00 0.00 H new ATOM 0 HG LEU A 102 1.854 -1.848 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.100 -2.415 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.993 -2.505 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.789 -1.114 -2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.660 -0.832 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.255 0.572 -0.831 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.511 0.223 -0.771 1.00 0.00 H new ATOM 1553 N GLN A 103 2.299 -3.163 -5.626 1.00 0.00 N ATOM 1554 CA GLN A 103 1.563 -4.384 -5.906 1.00 0.00 C ATOM 1555 C GLN A 103 1.331 -5.172 -4.616 1.00 0.00 C ATOM 1556 O GLN A 103 2.272 -5.713 -4.037 1.00 0.00 O ATOM 1557 CB GLN A 103 2.293 -5.237 -6.946 1.00 0.00 C ATOM 1558 CG GLN A 103 1.452 -6.451 -7.346 1.00 0.00 C ATOM 1559 CD GLN A 103 2.181 -7.303 -8.388 1.00 0.00 C ATOM 1560 OE1 GLN A 103 1.764 -7.427 -9.528 1.00 0.00 O ATOM 1561 NE2 GLN A 103 3.289 -7.881 -7.934 1.00 0.00 N ATOM 0 H GLN A 103 3.215 -3.105 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 103 0.593 -4.113 -6.322 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.511 -4.634 -7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.249 -5.569 -6.543 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.235 -7.054 -6.464 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.495 -6.119 -7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.581 -7.735 -6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 103 3.847 -8.470 -8.552 1.00 0.00 H new ATOM 1570 N ILE A 104 0.073 -5.212 -4.202 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.294 -5.925 -2.991 1.00 0.00 C ATOM 1572 C ILE A 104 -1.324 -7.004 -3.332 1.00 0.00 C ATOM 1573 O ILE A 104 -1.997 -6.923 -4.358 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.765 -4.945 -1.914 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -2.010 -4.183 -2.372 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.366 -4.000 -1.501 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.760 -3.590 -1.178 1.00 0.00 C ATOM 0 H ILE A 104 -0.705 -4.762 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 104 0.574 -6.433 -2.570 1.00 0.00 H new ATOM 0 HB ILE A 104 -1.046 -5.518 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.721 -3.386 -3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.669 -4.854 -2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.005 -3.314 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.199 -4.581 -1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.700 -3.431 -2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.641 -3.054 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.068 -4.392 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.106 -2.901 -0.643 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.413 -7.991 -2.451 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.349 -9.085 -2.646 1.00 0.00 C ATOM 1591 C PHE A 105 -3.222 -9.288 -1.406 1.00 0.00 C ATOM 1592 O PHE A 105 -2.707 -9.479 -0.305 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.518 -10.348 -2.883 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.517 -10.227 -4.033 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.720 -9.709 -3.806 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.863 -10.638 -5.282 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.650 -9.598 -4.874 1.00 0.00 C ATOM 1598 CE2 PHE A 105 0.066 -10.526 -6.350 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.303 -10.008 -6.123 1.00 0.00 C ATOM 0 H PHE A 105 -0.852 -8.055 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.006 -8.867 -3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.977 -10.592 -1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.191 -11.181 -3.087 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.995 -9.382 -2.814 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.845 -11.050 -5.462 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.633 -9.188 -4.694 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.209 -10.852 -7.342 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.010 -9.922 -6.935 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.562 -9.237 -1.631 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.511 -9.413 -0.545 1.00 0.00 C ATOM 1611 C PRO A 106 -5.602 -10.882 -0.129 1.00 0.00 C ATOM 1612 O PRO A 106 -6.192 -11.696 -0.837 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.824 -8.864 -1.078 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.679 -8.830 -2.590 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.207 -9.012 -2.921 1.00 0.00 C ATOM 0 HA PRO A 106 -5.214 -8.888 0.363 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.661 -9.496 -0.780 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.020 -7.868 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.274 -9.620 -3.048 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.046 -7.884 -2.987 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.054 -9.856 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.801 -8.131 -3.418 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.008 -11.177 1.019 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.014 -12.534 1.538 1.00 0.00 C ATOM 1625 C ARG A 107 -6.410 -12.902 2.044 1.00 0.00 C ATOM 1626 O ARG A 107 -6.700 -12.763 3.232 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.007 -12.692 2.679 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.682 -13.258 2.165 1.00 0.00 C ATOM 1629 CD ARG A 107 -2.039 -14.179 3.206 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.866 -15.536 2.642 1.00 0.00 N ATOM 1631 CZ ARG A 107 -2.823 -16.474 2.634 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -4.027 -16.207 3.158 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -2.577 -17.678 2.101 1.00 0.00 N ATOM 0 H ARG A 107 -4.520 -10.499 1.604 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.731 -13.202 0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.834 -11.726 3.153 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.417 -13.353 3.442 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.852 -13.810 1.241 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.001 -12.441 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.073 -13.777 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.663 -14.224 4.099 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.962 -15.772 2.234 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -4.215 -15.290 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -4.756 -16.921 3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.661 -17.881 1.701 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -3.306 -18.392 2.095 1.00 0.00 H new