USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 576 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 91 THR OG1 : rot 180:sc= 0.0202 USER MOD Set 1.2: A 132 GLN : amide:sc= -0.893 K(o=-0.87,f=-5.2!) USER MOD Single : A 88 ASN : amide:sc= -0.156 K(o=-0.16,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0137 USER MOD Single : A 101 ASN : amide:sc= -0.457 K(o=-0.46,f=-3.3!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-1.1) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 63:sc= 0.938 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 0:sc= 0.93 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 140 GLN : amide:sc= -1.84 K(o=-1.8,f=-0.71) USER MOD Single : A 143 CYS SG : rot 171:sc= 1.06 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 MET CE :methyl -106:sc= -7.38! (180deg=-12.1!) USER MOD ----------------------------------------------------------------- ATOM 174 N ASN A 88 -8.797 13.086 -4.011 1.00 0.00 N ATOM 175 CA ASN A 88 -8.072 13.387 -5.240 1.00 0.00 C ATOM 176 C ASN A 88 -6.829 12.512 -5.366 1.00 0.00 C ATOM 177 O ASN A 88 -6.127 12.244 -4.391 1.00 0.00 O ATOM 178 CB ASN A 88 -7.676 14.864 -5.275 1.00 0.00 C ATOM 179 CG ASN A 88 -8.771 15.743 -5.850 1.00 0.00 C ATOM 180 OD1 ASN A 88 -9.666 15.263 -6.546 1.00 0.00 O ATOM 181 ND2 ASN A 88 -8.703 17.037 -5.560 1.00 0.00 N ATOM 0 HA ASN A 88 -8.731 13.175 -6.082 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.439 15.198 -4.265 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.770 14.981 -5.870 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.411 17.678 -5.918 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.943 17.390 -4.979 1.00 0.00 H new ATOM 188 N PRO A 89 -6.547 12.058 -6.596 1.00 0.00 N ATOM 189 CA PRO A 89 -5.387 11.208 -6.880 1.00 0.00 C ATOM 190 C PRO A 89 -4.069 11.964 -6.751 1.00 0.00 C ATOM 191 O PRO A 89 -4.040 13.195 -6.799 1.00 0.00 O ATOM 192 CB PRO A 89 -5.613 10.770 -8.329 1.00 0.00 C ATOM 193 CG PRO A 89 -6.461 11.843 -8.920 1.00 0.00 C ATOM 194 CD PRO A 89 -7.340 12.339 -7.805 1.00 0.00 C ATOM 0 HA PRO A 89 -5.309 10.378 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.669 10.671 -8.865 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.110 9.801 -8.377 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.847 12.649 -9.321 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.059 11.457 -9.746 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -7.556 13.403 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -8.298 11.820 -7.787 1.00 0.00 H new ATOM 202 N THR A 90 -2.979 11.221 -6.588 1.00 0.00 N ATOM 203 CA THR A 90 -1.658 11.822 -6.453 1.00 0.00 C ATOM 204 C THR A 90 -0.560 10.772 -6.584 1.00 0.00 C ATOM 205 O THR A 90 -0.802 9.579 -6.396 1.00 0.00 O ATOM 206 CB THR A 90 -1.504 12.541 -5.099 1.00 0.00 C ATOM 207 OG1 THR A 90 -0.277 13.278 -5.073 1.00 0.00 O ATOM 208 CG2 THR A 90 -1.528 11.544 -3.951 1.00 0.00 C ATOM 0 H THR A 90 -2.985 10.202 -6.546 1.00 0.00 H new ATOM 0 HA THR A 90 -1.559 12.551 -7.258 1.00 0.00 H new ATOM 0 HB THR A 90 -2.342 13.228 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.187 13.734 -4.210 1.00 0.00 H new ATOM 0 HG21 THR A 90 -1.418 12.075 -3.006 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.476 11.006 -3.956 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.708 10.836 -4.067 1.00 0.00 H new ATOM 216 N THR A 91 0.648 11.223 -6.908 1.00 0.00 N ATOM 217 CA THR A 91 1.783 10.322 -7.066 1.00 0.00 C ATOM 218 C THR A 91 2.127 9.636 -5.749 1.00 0.00 C ATOM 219 O THR A 91 2.564 8.485 -5.733 1.00 0.00 O ATOM 220 CB THR A 91 3.026 11.070 -7.582 1.00 0.00 C ATOM 221 OG1 THR A 91 3.152 12.330 -6.914 1.00 0.00 O ATOM 222 CG2 THR A 91 2.939 11.293 -9.084 1.00 0.00 C ATOM 0 H THR A 91 0.865 12.207 -7.066 1.00 0.00 H new ATOM 0 HA THR A 91 1.490 9.570 -7.799 1.00 0.00 H new ATOM 0 HB THR A 91 3.904 10.459 -7.372 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.946 12.799 -7.247 1.00 0.00 H new ATOM 0 HG21 THR A 91 3.828 11.823 -9.425 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.873 10.331 -9.592 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.053 11.885 -9.313 1.00 0.00 H new ATOM 230 N ARG A 92 1.926 10.349 -4.645 1.00 0.00 N ATOM 231 CA ARG A 92 2.216 9.807 -3.323 1.00 0.00 C ATOM 232 C ARG A 92 1.062 8.942 -2.825 1.00 0.00 C ATOM 233 O ARG A 92 -0.104 9.220 -3.108 1.00 0.00 O ATOM 234 CB ARG A 92 2.482 10.942 -2.331 1.00 0.00 C ATOM 235 CG ARG A 92 2.718 10.464 -0.908 1.00 0.00 C ATOM 236 CD ARG A 92 3.046 11.621 0.021 1.00 0.00 C ATOM 237 NE ARG A 92 4.300 12.276 -0.341 1.00 0.00 N ATOM 238 CZ ARG A 92 4.822 13.292 0.337 1.00 0.00 C ATOM 239 NH1 ARG A 92 4.201 13.767 1.408 1.00 0.00 N ATOM 240 NH2 ARG A 92 5.968 13.834 -0.055 1.00 0.00 N ATOM 0 H ARG A 92 1.564 11.303 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 92 3.107 9.184 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 92 3.352 11.508 -2.664 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.634 11.627 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 92 1.831 9.945 -0.545 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.536 9.743 -0.896 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.236 12.349 -0.007 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.111 11.256 1.046 1.00 0.00 H new ATOM 0 HE ARG A 92 4.803 11.934 -1.160 1.00 0.00 H new ATOM 0 HH11 ARG A 92 3.320 13.352 1.713 1.00 0.00 H new ATOM 0 HH12 ARG A 92 4.604 14.547 1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.449 13.470 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 92 6.368 14.614 0.466 1.00 0.00 H new ATOM 254 N LEU A 93 1.395 7.892 -2.082 1.00 0.00 N ATOM 255 CA LEU A 93 0.387 6.985 -1.545 1.00 0.00 C ATOM 256 C LEU A 93 0.600 6.758 -0.051 1.00 0.00 C ATOM 257 O LEU A 93 1.728 6.563 0.402 1.00 0.00 O ATOM 258 CB LEU A 93 0.429 5.647 -2.286 1.00 0.00 C ATOM 259 CG LEU A 93 0.043 5.688 -3.766 1.00 0.00 C ATOM 260 CD1 LEU A 93 0.197 4.312 -4.395 1.00 0.00 C ATOM 261 CD2 LEU A 93 -1.381 6.197 -3.931 1.00 0.00 C ATOM 0 H LEU A 93 2.355 7.648 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.592 7.443 -1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.437 5.241 -2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.237 4.951 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 93 0.715 6.376 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.082 4.360 -5.448 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.234 3.986 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.450 3.602 -3.880 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.639 6.220 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.068 5.534 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.458 7.202 -3.517 1.00 0.00 H new ATOM 273 N TRP A 94 -0.490 6.782 0.706 1.00 0.00 N ATOM 274 CA TRP A 94 -0.423 6.576 2.149 1.00 0.00 C ATOM 275 C TRP A 94 -0.676 5.115 2.503 1.00 0.00 C ATOM 276 O TRP A 94 -1.761 4.586 2.258 1.00 0.00 O ATOM 277 CB TRP A 94 -1.440 7.470 2.860 1.00 0.00 C ATOM 278 CG TRP A 94 -1.759 7.016 4.252 1.00 0.00 C ATOM 279 CD1 TRP A 94 -1.115 7.378 5.400 1.00 0.00 C ATOM 280 CD2 TRP A 94 -2.800 6.113 4.641 1.00 0.00 C ATOM 281 NE1 TRP A 94 -1.693 6.755 6.480 1.00 0.00 N ATOM 282 CE2 TRP A 94 -2.729 5.974 6.041 1.00 0.00 C ATOM 283 CE3 TRP A 94 -3.786 5.410 3.944 1.00 0.00 C ATOM 284 CZ2 TRP A 94 -3.606 5.160 6.754 1.00 0.00 C ATOM 285 CZ3 TRP A 94 -4.656 4.603 4.652 1.00 0.00 C ATOM 286 CH2 TRP A 94 -4.562 4.484 6.045 1.00 0.00 C ATOM 0 H TRP A 94 -1.431 6.942 0.346 1.00 0.00 H new ATOM 0 HA TRP A 94 0.580 6.842 2.483 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -1.054 8.489 2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -2.359 7.499 2.275 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -0.275 8.055 5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -1.398 6.858 7.451 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -3.867 5.496 2.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -3.534 5.066 7.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -5.421 4.055 4.123 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -5.258 3.846 6.570 1.00 0.00 H new ATOM 297 N VAL A 95 0.330 4.468 3.081 1.00 0.00 N ATOM 298 CA VAL A 95 0.215 3.067 3.470 1.00 0.00 C ATOM 299 C VAL A 95 0.131 2.923 4.985 1.00 0.00 C ATOM 300 O VAL A 95 1.032 3.342 5.710 1.00 0.00 O ATOM 301 CB VAL A 95 1.408 2.241 2.952 1.00 0.00 C ATOM 302 CG1 VAL A 95 1.371 0.833 3.526 1.00 0.00 C ATOM 303 CG2 VAL A 95 1.410 2.205 1.431 1.00 0.00 C ATOM 0 H VAL A 95 1.234 4.891 3.291 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.703 2.688 3.020 1.00 0.00 H new ATOM 0 HB VAL A 95 2.330 2.719 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.221 0.264 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.421 0.882 4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.445 0.342 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.259 1.617 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.485 1.751 1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.488 3.221 1.043 1.00 0.00 H new ATOM 313 N GLY A 96 -0.959 2.326 5.458 1.00 0.00 N ATOM 314 CA GLY A 96 -1.141 2.136 6.885 1.00 0.00 C ATOM 315 C GLY A 96 -1.433 0.693 7.246 1.00 0.00 C ATOM 316 O GLY A 96 -2.226 0.028 6.581 1.00 0.00 O ATOM 0 H GLY A 96 -1.719 1.971 4.878 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -0.243 2.464 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.960 2.767 7.231 1.00 0.00 H new ATOM 320 N GLY A 97 -0.788 0.206 8.302 1.00 0.00 N ATOM 321 CA GLY A 97 -0.994 -1.165 8.730 1.00 0.00 C ATOM 322 C GLY A 97 0.274 -1.992 8.657 1.00 0.00 C ATOM 323 O GLY A 97 0.356 -2.949 7.886 1.00 0.00 O ATOM 0 H GLY A 97 -0.126 0.737 8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.369 -1.170 9.753 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.761 -1.626 8.107 1.00 0.00 H new ATOM 327 N LEU A 98 1.266 -1.623 9.459 1.00 0.00 N ATOM 328 CA LEU A 98 2.538 -2.337 9.482 1.00 0.00 C ATOM 329 C LEU A 98 2.755 -3.022 10.827 1.00 0.00 C ATOM 330 O LEU A 98 1.909 -2.945 11.718 1.00 0.00 O ATOM 331 CB LEU A 98 3.691 -1.374 9.194 1.00 0.00 C ATOM 332 CG LEU A 98 3.609 -0.602 7.877 1.00 0.00 C ATOM 333 CD1 LEU A 98 4.783 0.356 7.746 1.00 0.00 C ATOM 334 CD2 LEU A 98 3.568 -1.563 6.698 1.00 0.00 C ATOM 0 H LEU A 98 1.214 -0.833 10.102 1.00 0.00 H new ATOM 0 HA LEU A 98 2.510 -3.103 8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.749 -0.654 10.011 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.622 -1.941 9.202 1.00 0.00 H new ATOM 0 HG LEU A 98 2.689 -0.018 7.876 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.708 0.897 6.803 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.768 1.066 8.573 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.716 -0.207 7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 98 3.510 -0.996 5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.471 -2.174 6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.694 -2.208 6.785 1.00 0.00 H new ATOM 346 N GLY A 99 3.896 -3.689 10.969 1.00 0.00 N ATOM 347 CA GLY A 99 4.205 -4.376 12.210 1.00 0.00 C ATOM 348 C GLY A 99 5.693 -4.591 12.398 1.00 0.00 C ATOM 349 O GLY A 99 6.516 -4.102 11.624 1.00 0.00 O ATOM 0 H GLY A 99 4.612 -3.766 10.247 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.816 -3.798 13.048 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.697 -5.340 12.224 1.00 0.00 H new ATOM 353 N PRO A 100 6.058 -5.339 13.451 1.00 0.00 N ATOM 354 CA PRO A 100 7.460 -5.634 13.764 1.00 0.00 C ATOM 355 C PRO A 100 8.094 -6.578 12.749 1.00 0.00 C ATOM 356 O PRO A 100 9.313 -6.602 12.587 1.00 0.00 O ATOM 357 CB PRO A 100 7.383 -6.301 15.140 1.00 0.00 C ATOM 358 CG PRO A 100 6.013 -6.884 15.202 1.00 0.00 C ATOM 359 CD PRO A 100 5.131 -5.954 14.415 1.00 0.00 C ATOM 0 HA PRO A 100 8.080 -4.738 13.744 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.146 -7.071 15.250 1.00 0.00 H new ATOM 0 HB3 PRO A 100 7.542 -5.578 15.940 1.00 0.00 H new ATOM 0 HG2 PRO A 100 5.997 -7.888 14.779 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.671 -6.967 16.233 1.00 0.00 H new ATOM 0 HD2 PRO A 100 4.327 -6.492 13.912 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.663 -5.206 15.055 1.00 0.00 H new ATOM 367 N ASN A 101 7.258 -7.355 12.067 1.00 0.00 N ATOM 368 CA ASN A 101 7.738 -8.301 11.067 1.00 0.00 C ATOM 369 C ASN A 101 7.787 -7.655 9.685 1.00 0.00 C ATOM 370 O ASN A 101 8.766 -7.803 8.952 1.00 0.00 O ATOM 371 CB ASN A 101 6.839 -9.538 11.032 1.00 0.00 C ATOM 372 CG ASN A 101 6.848 -10.297 12.345 1.00 0.00 C ATOM 373 OD1 ASN A 101 6.524 -9.745 13.396 1.00 0.00 O ATOM 374 ND2 ASN A 101 7.222 -11.570 12.290 1.00 0.00 N ATOM 0 H ASN A 101 6.245 -7.348 12.189 1.00 0.00 H new ATOM 0 HA ASN A 101 8.748 -8.602 11.344 1.00 0.00 H new ATOM 0 HB2 ASN A 101 5.818 -9.235 10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 101 7.167 -10.200 10.231 1.00 0.00 H new ATOM 0 HD21 ASN A 101 7.249 -12.131 13.141 1.00 0.00 H new ATOM 0 HD22 ASN A 101 7.482 -11.987 11.396 1.00 0.00 H new ATOM 381 N THR A 102 6.724 -6.938 9.336 1.00 0.00 N ATOM 382 CA THR A 102 6.644 -6.269 8.043 1.00 0.00 C ATOM 383 C THR A 102 7.827 -5.330 7.836 1.00 0.00 C ATOM 384 O THR A 102 7.965 -4.326 8.534 1.00 0.00 O ATOM 385 CB THR A 102 5.337 -5.467 7.905 1.00 0.00 C ATOM 386 OG1 THR A 102 4.252 -6.194 8.492 1.00 0.00 O ATOM 387 CG2 THR A 102 5.029 -5.181 6.442 1.00 0.00 C ATOM 0 H THR A 102 5.906 -6.805 9.931 1.00 0.00 H new ATOM 0 HA THR A 102 6.665 -7.049 7.282 1.00 0.00 H new ATOM 0 HB THR A 102 5.463 -4.518 8.426 1.00 0.00 H new ATOM 0 HG1 THR A 102 3.425 -5.677 8.402 1.00 0.00 H new ATOM 0 HG21 THR A 102 4.101 -4.613 6.370 1.00 0.00 H new ATOM 0 HG22 THR A 102 5.843 -4.603 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 102 4.922 -6.122 5.902 1.00 0.00 H new ATOM 395 N SER A 103 8.679 -5.663 6.871 1.00 0.00 N ATOM 396 CA SER A 103 9.853 -4.850 6.574 1.00 0.00 C ATOM 397 C SER A 103 9.581 -3.912 5.402 1.00 0.00 C ATOM 398 O SER A 103 8.618 -4.093 4.656 1.00 0.00 O ATOM 399 CB SER A 103 11.052 -5.745 6.258 1.00 0.00 C ATOM 400 OG SER A 103 12.269 -5.115 6.619 1.00 0.00 O ATOM 0 H SER A 103 8.578 -6.490 6.282 1.00 0.00 H new ATOM 0 HA SER A 103 10.080 -4.248 7.454 1.00 0.00 H new ATOM 0 HB2 SER A 103 10.955 -6.690 6.793 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.063 -5.981 5.194 1.00 0.00 H new ATOM 0 HG SER A 103 13.020 -5.709 6.408 1.00 0.00 H new ATOM 406 N LEU A 104 10.437 -2.907 5.246 1.00 0.00 N ATOM 407 CA LEU A 104 10.291 -1.939 4.165 1.00 0.00 C ATOM 408 C LEU A 104 10.531 -2.595 2.810 1.00 0.00 C ATOM 409 O LEU A 104 9.635 -2.650 1.968 1.00 0.00 O ATOM 410 CB LEU A 104 11.265 -0.776 4.362 1.00 0.00 C ATOM 411 CG LEU A 104 11.097 0.409 3.409 1.00 0.00 C ATOM 412 CD1 LEU A 104 9.832 1.185 3.741 1.00 0.00 C ATOM 413 CD2 LEU A 104 12.315 1.319 3.469 1.00 0.00 C ATOM 0 H LEU A 104 11.239 -2.742 5.854 1.00 0.00 H new ATOM 0 HA LEU A 104 9.270 -1.558 4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.163 -0.412 5.384 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.281 -1.158 4.260 1.00 0.00 H new ATOM 0 HG LEU A 104 11.007 0.024 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 104 9.729 2.024 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.967 0.529 3.645 1.00 0.00 H new ATOM 0 HD13 LEU A 104 9.892 1.559 4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.178 2.156 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.438 1.696 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.204 0.757 3.181 1.00 0.00 H new ATOM 425 N ALA A 105 11.746 -3.094 2.607 1.00 0.00 N ATOM 426 CA ALA A 105 12.103 -3.750 1.355 1.00 0.00 C ATOM 427 C ALA A 105 10.915 -4.512 0.776 1.00 0.00 C ATOM 428 O ALA A 105 10.414 -4.177 -0.296 1.00 0.00 O ATOM 429 CB ALA A 105 13.281 -4.689 1.569 1.00 0.00 C ATOM 0 H ALA A 105 12.500 -3.056 3.293 1.00 0.00 H new ATOM 0 HA ALA A 105 12.391 -2.980 0.639 1.00 0.00 H new ATOM 0 HB1 ALA A 105 13.537 -5.172 0.626 1.00 0.00 H new ATOM 0 HB2 ALA A 105 14.138 -4.121 1.930 1.00 0.00 H new ATOM 0 HB3 ALA A 105 13.013 -5.448 2.304 1.00 0.00 H new ATOM 435 N ALA A 106 10.470 -5.538 1.494 1.00 0.00 N ATOM 436 CA ALA A 106 9.340 -6.346 1.052 1.00 0.00 C ATOM 437 C ALA A 106 8.304 -5.492 0.329 1.00 0.00 C ATOM 438 O ALA A 106 8.117 -5.617 -0.882 1.00 0.00 O ATOM 439 CB ALA A 106 8.706 -7.059 2.237 1.00 0.00 C ATOM 0 H ALA A 106 10.875 -5.829 2.384 1.00 0.00 H new ATOM 0 HA ALA A 106 9.711 -7.092 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 106 7.863 -7.659 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 106 9.444 -7.708 2.709 1.00 0.00 H new ATOM 0 HB3 ALA A 106 8.355 -6.322 2.960 1.00 0.00 H new ATOM 445 N LEU A 107 7.632 -4.625 1.079 1.00 0.00 N ATOM 446 CA LEU A 107 6.613 -3.750 0.509 1.00 0.00 C ATOM 447 C LEU A 107 7.142 -3.032 -0.728 1.00 0.00 C ATOM 448 O LEU A 107 6.540 -3.096 -1.800 1.00 0.00 O ATOM 449 CB LEU A 107 6.153 -2.727 1.549 1.00 0.00 C ATOM 450 CG LEU A 107 5.729 -3.292 2.905 1.00 0.00 C ATOM 451 CD1 LEU A 107 5.482 -2.167 3.898 1.00 0.00 C ATOM 452 CD2 LEU A 107 4.486 -4.158 2.757 1.00 0.00 C ATOM 0 H LEU A 107 7.774 -4.509 2.082 1.00 0.00 H new ATOM 0 HA LEU A 107 5.764 -4.366 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 107 6.962 -2.015 1.712 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.315 -2.168 1.133 1.00 0.00 H new ATOM 0 HG LEU A 107 6.538 -3.915 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.181 -2.588 4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.396 -1.588 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.691 -1.518 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.199 -4.552 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.670 -3.558 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.698 -4.985 2.080 1.00 0.00 H new ATOM 464 N ALA A 108 8.272 -2.351 -0.573 1.00 0.00 N ATOM 465 CA ALA A 108 8.884 -1.625 -1.679 1.00 0.00 C ATOM 466 C ALA A 108 8.711 -2.378 -2.993 1.00 0.00 C ATOM 467 O ALA A 108 8.288 -1.804 -3.997 1.00 0.00 O ATOM 468 CB ALA A 108 10.360 -1.382 -1.398 1.00 0.00 C ATOM 0 H ALA A 108 8.782 -2.287 0.308 1.00 0.00 H new ATOM 0 HA ALA A 108 8.380 -0.663 -1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 108 10.805 -0.839 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 108 10.465 -0.795 -0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 108 10.869 -2.338 -1.275 1.00 0.00 H new ATOM 474 N ARG A 109 9.041 -3.665 -2.980 1.00 0.00 N ATOM 475 CA ARG A 109 8.924 -4.496 -4.172 1.00 0.00 C ATOM 476 C ARG A 109 7.462 -4.661 -4.578 1.00 0.00 C ATOM 477 O ARG A 109 7.123 -4.581 -5.759 1.00 0.00 O ATOM 478 CB ARG A 109 9.554 -5.868 -3.928 1.00 0.00 C ATOM 479 CG ARG A 109 9.950 -6.593 -5.204 1.00 0.00 C ATOM 480 CD ARG A 109 10.496 -7.981 -4.909 1.00 0.00 C ATOM 481 NE ARG A 109 11.475 -8.407 -5.906 1.00 0.00 N ATOM 482 CZ ARG A 109 12.637 -7.794 -6.104 1.00 0.00 C ATOM 483 NH1 ARG A 109 12.964 -6.735 -5.378 1.00 0.00 N ATOM 484 NH2 ARG A 109 13.474 -8.242 -7.031 1.00 0.00 N ATOM 0 H ARG A 109 9.392 -4.155 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 109 9.455 -3.999 -4.984 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.437 -5.746 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 109 8.851 -6.488 -3.372 1.00 0.00 H new ATOM 0 HG2 ARG A 109 9.085 -6.673 -5.862 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.702 -6.011 -5.736 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.958 -7.987 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 109 9.673 -8.696 -4.880 1.00 0.00 H new ATOM 0 HE ARG A 109 11.254 -9.220 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 109 12.323 -6.388 -4.665 1.00 0.00 H new ATOM 0 HH12 ARG A 109 13.857 -6.267 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 109 13.225 -9.057 -7.592 1.00 0.00 H new ATOM 0 HH22 ARG A 109 14.366 -7.771 -7.183 1.00 0.00 H new ATOM 498 N GLU A 110 6.601 -4.892 -3.592 1.00 0.00 N ATOM 499 CA GLU A 110 5.177 -5.069 -3.847 1.00 0.00 C ATOM 500 C GLU A 110 4.593 -3.846 -4.548 1.00 0.00 C ATOM 501 O GLU A 110 3.657 -3.957 -5.340 1.00 0.00 O ATOM 502 CB GLU A 110 4.429 -5.325 -2.537 1.00 0.00 C ATOM 503 CG GLU A 110 4.719 -6.686 -1.926 1.00 0.00 C ATOM 504 CD GLU A 110 4.514 -7.822 -2.909 1.00 0.00 C ATOM 505 OE1 GLU A 110 3.730 -7.646 -3.865 1.00 0.00 O ATOM 506 OE2 GLU A 110 5.139 -8.887 -2.723 1.00 0.00 O ATOM 0 H GLU A 110 6.865 -4.961 -2.609 1.00 0.00 H new ATOM 0 HA GLU A 110 5.056 -5.933 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.695 -4.550 -1.819 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.358 -5.238 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.747 -6.706 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.073 -6.837 -1.062 1.00 0.00 H new ATOM 513 N PHE A 111 5.153 -2.678 -4.251 1.00 0.00 N ATOM 514 CA PHE A 111 4.688 -1.432 -4.850 1.00 0.00 C ATOM 515 C PHE A 111 5.465 -1.120 -6.126 1.00 0.00 C ATOM 516 O PHE A 111 4.986 -0.390 -6.994 1.00 0.00 O ATOM 517 CB PHE A 111 4.833 -0.278 -3.857 1.00 0.00 C ATOM 518 CG PHE A 111 3.717 -0.208 -2.853 1.00 0.00 C ATOM 519 CD1 PHE A 111 3.672 -1.089 -1.785 1.00 0.00 C ATOM 520 CD2 PHE A 111 2.715 0.740 -2.978 1.00 0.00 C ATOM 521 CE1 PHE A 111 2.646 -1.027 -0.861 1.00 0.00 C ATOM 522 CE2 PHE A 111 1.686 0.808 -2.056 1.00 0.00 C ATOM 523 CZ PHE A 111 1.653 -0.077 -0.996 1.00 0.00 C ATOM 0 H PHE A 111 5.930 -2.568 -3.599 1.00 0.00 H new ATOM 0 HA PHE A 111 3.635 -1.552 -5.105 1.00 0.00 H new ATOM 0 HB2 PHE A 111 5.781 -0.381 -3.329 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.875 0.662 -4.408 1.00 0.00 H new ATOM 0 HD1 PHE A 111 4.447 -1.833 -1.673 1.00 0.00 H new ATOM 0 HD2 PHE A 111 2.737 1.434 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.621 -1.721 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.910 1.551 -2.165 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.852 -0.026 -0.274 1.00 0.00 H new ATOM 533 N ASP A 112 6.666 -1.678 -6.232 1.00 0.00 N ATOM 534 CA ASP A 112 7.510 -1.460 -7.401 1.00 0.00 C ATOM 535 C ASP A 112 6.879 -2.071 -8.648 1.00 0.00 C ATOM 536 O ASP A 112 6.966 -1.508 -9.740 1.00 0.00 O ATOM 537 CB ASP A 112 8.899 -2.057 -7.173 1.00 0.00 C ATOM 538 CG ASP A 112 9.736 -2.078 -8.437 1.00 0.00 C ATOM 539 OD1 ASP A 112 9.645 -1.113 -9.225 1.00 0.00 O ATOM 540 OD2 ASP A 112 10.482 -3.059 -8.638 1.00 0.00 O ATOM 0 H ASP A 112 7.077 -2.285 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 112 7.606 -0.385 -7.553 1.00 0.00 H new ATOM 0 HB2 ASP A 112 9.418 -1.480 -6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 112 8.796 -3.073 -6.792 1.00 0.00 H new ATOM 545 N ARG A 113 6.244 -3.226 -8.479 1.00 0.00 N ATOM 546 CA ARG A 113 5.600 -3.915 -9.591 1.00 0.00 C ATOM 547 C ARG A 113 4.830 -2.932 -10.467 1.00 0.00 C ATOM 548 O ARG A 113 4.924 -2.972 -11.694 1.00 0.00 O ATOM 549 CB ARG A 113 4.654 -4.998 -9.069 1.00 0.00 C ATOM 550 CG ARG A 113 3.427 -4.446 -8.362 1.00 0.00 C ATOM 551 CD ARG A 113 2.635 -5.549 -7.678 1.00 0.00 C ATOM 552 NE ARG A 113 3.502 -6.594 -7.140 1.00 0.00 N ATOM 553 CZ ARG A 113 3.955 -7.615 -7.859 1.00 0.00 C ATOM 554 NH1 ARG A 113 3.624 -7.729 -9.138 1.00 0.00 N ATOM 555 NH2 ARG A 113 4.741 -8.526 -7.298 1.00 0.00 N ATOM 0 H ARG A 113 6.162 -3.705 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 113 6.378 -4.382 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 113 4.332 -5.621 -9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 113 5.199 -5.644 -8.381 1.00 0.00 H new ATOM 0 HG2 ARG A 113 3.734 -3.705 -7.624 1.00 0.00 H new ATOM 0 HG3 ARG A 113 2.790 -3.933 -9.083 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.040 -5.121 -6.871 1.00 0.00 H new ATOM 0 HD3 ARG A 113 1.937 -5.989 -8.390 1.00 0.00 H new ATOM 0 HE ARG A 113 3.774 -6.537 -6.159 1.00 0.00 H new ATOM 0 HH11 ARG A 113 3.020 -7.031 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 113 3.974 -8.514 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 113 4.997 -8.442 -6.314 1.00 0.00 H new ATOM 0 HH22 ARG A 113 5.088 -9.310 -7.851 1.00 0.00 H new ATOM 569 N PHE A 114 4.068 -2.049 -9.829 1.00 0.00 N ATOM 570 CA PHE A 114 3.280 -1.056 -10.549 1.00 0.00 C ATOM 571 C PHE A 114 4.186 -0.051 -11.254 1.00 0.00 C ATOM 572 O PHE A 114 4.133 0.102 -12.473 1.00 0.00 O ATOM 573 CB PHE A 114 2.339 -0.327 -9.589 1.00 0.00 C ATOM 574 CG PHE A 114 1.435 -1.247 -8.821 1.00 0.00 C ATOM 575 CD1 PHE A 114 0.339 -1.835 -9.433 1.00 0.00 C ATOM 576 CD2 PHE A 114 1.680 -1.526 -7.486 1.00 0.00 C ATOM 577 CE1 PHE A 114 -0.495 -2.682 -8.728 1.00 0.00 C ATOM 578 CE2 PHE A 114 0.850 -2.373 -6.776 1.00 0.00 C ATOM 579 CZ PHE A 114 -0.238 -2.952 -7.398 1.00 0.00 C ATOM 0 H PHE A 114 3.980 -2.001 -8.814 1.00 0.00 H new ATOM 0 HA PHE A 114 2.687 -1.575 -11.302 1.00 0.00 H new ATOM 0 HB2 PHE A 114 2.932 0.257 -8.885 1.00 0.00 H new ATOM 0 HB3 PHE A 114 1.730 0.378 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 114 0.134 -1.629 -10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 114 2.530 -1.076 -6.994 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -1.347 -3.132 -9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 114 1.052 -2.582 -5.736 1.00 0.00 H new ATOM 0 HZ PHE A 114 -0.887 -3.615 -6.846 1.00 0.00 H new ATOM 589 N GLY A 115 5.018 0.634 -10.475 1.00 0.00 N ATOM 590 CA GLY A 115 5.924 1.617 -11.041 1.00 0.00 C ATOM 591 C GLY A 115 7.121 1.883 -10.150 1.00 0.00 C ATOM 592 O GLY A 115 7.186 1.392 -9.023 1.00 0.00 O ATOM 0 H GLY A 115 5.081 0.526 -9.463 1.00 0.00 H new ATOM 0 HA2 GLY A 115 6.270 1.270 -12.015 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.385 2.550 -11.208 1.00 0.00 H new ATOM 596 N SER A 116 8.072 2.663 -10.655 1.00 0.00 N ATOM 597 CA SER A 116 9.275 2.989 -9.900 1.00 0.00 C ATOM 598 C SER A 116 8.937 3.839 -8.679 1.00 0.00 C ATOM 599 O SER A 116 8.241 4.849 -8.786 1.00 0.00 O ATOM 600 CB SER A 116 10.276 3.729 -10.789 1.00 0.00 C ATOM 601 OG SER A 116 11.264 4.382 -10.010 1.00 0.00 O ATOM 0 H SER A 116 8.032 3.081 -11.585 1.00 0.00 H new ATOM 0 HA SER A 116 9.723 2.056 -9.559 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.753 3.024 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 116 9.751 4.460 -11.403 1.00 0.00 H new ATOM 0 HG SER A 116 11.893 4.846 -10.601 1.00 0.00 H new ATOM 607 N ILE A 117 9.433 3.421 -7.519 1.00 0.00 N ATOM 608 CA ILE A 117 9.184 4.144 -6.278 1.00 0.00 C ATOM 609 C ILE A 117 10.369 5.031 -5.911 1.00 0.00 C ATOM 610 O ILE A 117 11.486 4.547 -5.725 1.00 0.00 O ATOM 611 CB ILE A 117 8.900 3.179 -5.112 1.00 0.00 C ATOM 612 CG1 ILE A 117 7.689 2.300 -5.432 1.00 0.00 C ATOM 613 CG2 ILE A 117 8.671 3.956 -3.824 1.00 0.00 C ATOM 614 CD1 ILE A 117 7.541 1.115 -4.503 1.00 0.00 C ATOM 0 H ILE A 117 10.009 2.586 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 117 8.305 4.767 -6.447 1.00 0.00 H new ATOM 0 HB ILE A 117 9.768 2.534 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE A 117 6.785 2.907 -5.380 1.00 0.00 H new ATOM 0 HG13 ILE A 117 7.772 1.940 -6.457 1.00 0.00 H new ATOM 0 HG21 ILE A 117 8.472 3.260 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 117 9.559 4.543 -3.590 1.00 0.00 H new ATOM 0 HG23 ILE A 117 7.818 4.623 -3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 117 6.662 0.536 -4.788 1.00 0.00 H new ATOM 0 HD12 ILE A 117 8.428 0.485 -4.572 1.00 0.00 H new ATOM 0 HD13 ILE A 117 7.426 1.468 -3.478 1.00 0.00 H new ATOM 626 N ARG A 118 10.118 6.332 -5.809 1.00 0.00 N ATOM 627 CA ARG A 118 11.163 7.288 -5.464 1.00 0.00 C ATOM 628 C ARG A 118 11.806 6.931 -4.127 1.00 0.00 C ATOM 629 O ARG A 118 13.019 6.734 -4.041 1.00 0.00 O ATOM 630 CB ARG A 118 10.590 8.704 -5.404 1.00 0.00 C ATOM 631 CG ARG A 118 11.598 9.785 -5.759 1.00 0.00 C ATOM 632 CD ARG A 118 11.716 9.963 -7.265 1.00 0.00 C ATOM 633 NE ARG A 118 12.706 9.061 -7.847 1.00 0.00 N ATOM 634 CZ ARG A 118 14.004 9.117 -7.569 1.00 0.00 C ATOM 635 NH1 ARG A 118 14.465 10.026 -6.722 1.00 0.00 N ATOM 636 NH2 ARG A 118 14.843 8.261 -8.139 1.00 0.00 N ATOM 0 H ARG A 118 9.199 6.748 -5.961 1.00 0.00 H new ATOM 0 HA ARG A 118 11.928 7.246 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 118 9.742 8.773 -6.085 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.209 8.890 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.298 10.728 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.572 9.526 -5.345 1.00 0.00 H new ATOM 0 HD2 ARG A 118 10.746 9.784 -7.728 1.00 0.00 H new ATOM 0 HD3 ARG A 118 11.990 10.994 -7.488 1.00 0.00 H new ATOM 0 HE ARG A 118 12.383 8.349 -8.503 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.823 10.685 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 118 15.462 10.067 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 118 14.491 7.560 -8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 118 15.839 8.304 -7.925 1.00 0.00 H new ATOM 650 N THR A 119 10.985 6.849 -3.084 1.00 0.00 N ATOM 651 CA THR A 119 11.473 6.518 -1.751 1.00 0.00 C ATOM 652 C THR A 119 10.320 6.361 -0.767 1.00 0.00 C ATOM 653 O THR A 119 9.218 6.859 -1.003 1.00 0.00 O ATOM 654 CB THR A 119 12.441 7.594 -1.224 1.00 0.00 C ATOM 655 OG1 THR A 119 13.124 7.111 -0.062 1.00 0.00 O ATOM 656 CG2 THR A 119 11.692 8.874 -0.882 1.00 0.00 C ATOM 0 H THR A 119 9.979 7.007 -3.137 1.00 0.00 H new ATOM 0 HA THR A 119 12.006 5.571 -1.835 1.00 0.00 H new ATOM 0 HB THR A 119 13.167 7.814 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.739 7.800 0.266 1.00 0.00 H new ATOM 0 HG21 THR A 119 12.396 9.620 -0.512 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.196 9.255 -1.775 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.947 8.666 -0.114 1.00 0.00 H new ATOM 664 N ILE A 120 10.580 5.668 0.336 1.00 0.00 N ATOM 665 CA ILE A 120 9.563 5.448 1.357 1.00 0.00 C ATOM 666 C ILE A 120 10.067 5.866 2.734 1.00 0.00 C ATOM 667 O ILE A 120 11.189 5.540 3.121 1.00 0.00 O ATOM 668 CB ILE A 120 9.127 3.972 1.409 1.00 0.00 C ATOM 669 CG1 ILE A 120 8.791 3.467 0.004 1.00 0.00 C ATOM 670 CG2 ILE A 120 7.934 3.804 2.338 1.00 0.00 C ATOM 671 CD1 ILE A 120 9.977 2.877 -0.726 1.00 0.00 C ATOM 0 H ILE A 120 11.486 5.249 0.546 1.00 0.00 H new ATOM 0 HA ILE A 120 8.705 6.062 1.085 1.00 0.00 H new ATOM 0 HB ILE A 120 9.953 3.378 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 120 8.007 2.713 0.076 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.387 4.292 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 120 7.638 2.755 2.364 1.00 0.00 H new ATOM 0 HG22 ILE A 120 8.206 4.129 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 120 7.102 4.407 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 120 9.665 2.540 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 120 10.754 3.634 -0.829 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.368 2.031 -0.161 1.00 0.00 H new ATOM 683 N ASP A 121 9.229 6.589 3.471 1.00 0.00 N ATOM 684 CA ASP A 121 9.588 7.049 4.807 1.00 0.00 C ATOM 685 C ASP A 121 9.327 5.962 5.845 1.00 0.00 C ATOM 686 O ASP A 121 8.219 5.433 5.939 1.00 0.00 O ATOM 687 CB ASP A 121 8.802 8.312 5.163 1.00 0.00 C ATOM 688 CG ASP A 121 9.558 9.216 6.116 1.00 0.00 C ATOM 689 OD1 ASP A 121 9.959 8.736 7.197 1.00 0.00 O ATOM 690 OD2 ASP A 121 9.751 10.403 5.780 1.00 0.00 O ATOM 0 H ASP A 121 8.297 6.869 3.165 1.00 0.00 H new ATOM 0 HA ASP A 121 10.653 7.280 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 121 8.572 8.862 4.251 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.850 8.029 5.613 1.00 0.00 H new ATOM 695 N HIS A 122 10.355 5.633 6.621 1.00 0.00 N ATOM 696 CA HIS A 122 10.236 4.608 7.652 1.00 0.00 C ATOM 697 C HIS A 122 9.979 5.239 9.018 1.00 0.00 C ATOM 698 O HIS A 122 10.733 6.103 9.466 1.00 0.00 O ATOM 699 CB HIS A 122 11.504 3.756 7.702 1.00 0.00 C ATOM 700 CG HIS A 122 12.727 4.523 8.101 1.00 0.00 C ATOM 701 ND1 HIS A 122 13.141 4.651 9.410 1.00 0.00 N ATOM 702 CD2 HIS A 122 13.628 5.204 7.355 1.00 0.00 C ATOM 703 CE1 HIS A 122 14.243 5.379 9.452 1.00 0.00 C ATOM 704 NE2 HIS A 122 14.560 5.726 8.218 1.00 0.00 N ATOM 0 H HIS A 122 11.279 6.061 6.556 1.00 0.00 H new ATOM 0 HA HIS A 122 9.388 3.971 7.400 1.00 0.00 H new ATOM 0 HB2 HIS A 122 11.354 2.937 8.405 1.00 0.00 H new ATOM 0 HB3 HIS A 122 11.670 3.308 6.722 1.00 0.00 H new ATOM 0 HD2 HIS A 122 13.616 5.316 6.281 1.00 0.00 H new ATOM 0 HE1 HIS A 122 14.791 5.645 10.344 1.00 0.00 H new ATOM 0 HE2 HIS A 122 15.366 6.290 7.949 1.00 0.00 H new ATOM 713 N VAL A 123 8.910 4.801 9.675 1.00 0.00 N ATOM 714 CA VAL A 123 8.554 5.322 10.989 1.00 0.00 C ATOM 715 C VAL A 123 7.666 4.341 11.747 1.00 0.00 C ATOM 716 O VAL A 123 6.666 3.855 11.217 1.00 0.00 O ATOM 717 CB VAL A 123 7.827 6.675 10.878 1.00 0.00 C ATOM 718 CG1 VAL A 123 6.740 6.613 9.816 1.00 0.00 C ATOM 719 CG2 VAL A 123 7.246 7.079 12.225 1.00 0.00 C ATOM 0 H VAL A 123 8.275 4.086 9.319 1.00 0.00 H new ATOM 0 HA VAL A 123 9.486 5.462 11.537 1.00 0.00 H new ATOM 0 HB VAL A 123 8.551 7.433 10.578 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.238 7.578 9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.187 6.372 8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.015 5.844 10.082 1.00 0.00 H new ATOM 0 HG21 VAL A 123 6.736 8.037 12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 123 6.536 6.322 12.557 1.00 0.00 H new ATOM 0 HG23 VAL A 123 8.050 7.168 12.956 1.00 0.00 H new ATOM 729 N LYS A 124 8.036 4.055 12.990 1.00 0.00 N ATOM 730 CA LYS A 124 7.273 3.134 13.824 1.00 0.00 C ATOM 731 C LYS A 124 6.126 3.855 14.523 1.00 0.00 C ATOM 732 O LYS A 124 4.956 3.546 14.298 1.00 0.00 O ATOM 733 CB LYS A 124 8.186 2.478 14.863 1.00 0.00 C ATOM 734 CG LYS A 124 9.306 1.653 14.253 1.00 0.00 C ATOM 735 CD LYS A 124 10.534 1.633 15.148 1.00 0.00 C ATOM 736 CE LYS A 124 10.333 0.725 16.351 1.00 0.00 C ATOM 737 NZ LYS A 124 11.214 1.107 17.489 1.00 0.00 N ATOM 0 H LYS A 124 8.861 4.448 13.443 1.00 0.00 H new ATOM 0 HA LYS A 124 6.854 2.362 13.179 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.620 3.253 15.495 1.00 0.00 H new ATOM 0 HB3 LYS A 124 7.586 1.838 15.510 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.959 0.633 14.087 1.00 0.00 H new ATOM 0 HG3 LYS A 124 9.571 2.062 13.278 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.397 1.294 14.575 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.754 2.645 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 124 9.291 0.768 16.668 1.00 0.00 H new ATOM 0 HE3 LYS A 124 10.537 -0.307 16.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 11.046 0.464 18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.209 1.041 17.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 11.002 2.083 17.779 1.00 0.00 H new ATOM 751 N GLY A 125 6.468 4.821 15.371 1.00 0.00 N ATOM 752 CA GLY A 125 5.455 5.572 16.088 1.00 0.00 C ATOM 753 C GLY A 125 4.227 5.843 15.243 1.00 0.00 C ATOM 754 O GLY A 125 3.140 5.345 15.537 1.00 0.00 O ATOM 0 H GLY A 125 7.429 5.096 15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 125 5.163 5.020 16.981 1.00 0.00 H new ATOM 0 HA3 GLY A 125 5.878 6.519 16.422 1.00 0.00 H new ATOM 758 N ASP A 126 4.398 6.635 14.190 1.00 0.00 N ATOM 759 CA ASP A 126 3.294 6.972 13.299 1.00 0.00 C ATOM 760 C ASP A 126 2.563 5.714 12.839 1.00 0.00 C ATOM 761 O ASP A 126 1.354 5.735 12.610 1.00 0.00 O ATOM 762 CB ASP A 126 3.808 7.750 12.087 1.00 0.00 C ATOM 763 CG ASP A 126 3.820 9.248 12.323 1.00 0.00 C ATOM 764 OD1 ASP A 126 2.895 9.750 12.996 1.00 0.00 O ATOM 765 OD2 ASP A 126 4.755 9.917 11.836 1.00 0.00 O ATOM 0 H ASP A 126 5.291 7.056 13.933 1.00 0.00 H new ATOM 0 HA ASP A 126 2.592 7.597 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 126 4.817 7.415 11.845 1.00 0.00 H new ATOM 0 HB3 ASP A 126 3.182 7.526 11.223 1.00 0.00 H new ATOM 770 N SER A 127 3.306 4.620 12.705 1.00 0.00 N ATOM 771 CA SER A 127 2.730 3.354 12.267 1.00 0.00 C ATOM 772 C SER A 127 2.178 3.470 10.850 1.00 0.00 C ATOM 773 O SER A 127 1.149 2.879 10.522 1.00 0.00 O ATOM 774 CB SER A 127 1.621 2.916 13.225 1.00 0.00 C ATOM 775 OG SER A 127 2.071 2.933 14.569 1.00 0.00 O ATOM 0 H SER A 127 4.308 4.585 12.893 1.00 0.00 H new ATOM 0 HA SER A 127 3.520 2.603 12.270 1.00 0.00 H new ATOM 0 HB2 SER A 127 0.761 3.578 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.286 1.912 12.963 1.00 0.00 H new ATOM 0 HG SER A 127 2.301 3.850 14.825 1.00 0.00 H new ATOM 781 N PHE A 128 2.870 4.235 10.013 1.00 0.00 N ATOM 782 CA PHE A 128 2.449 4.430 8.630 1.00 0.00 C ATOM 783 C PHE A 128 3.591 4.994 7.789 1.00 0.00 C ATOM 784 O PHE A 128 4.418 5.760 8.280 1.00 0.00 O ATOM 785 CB PHE A 128 1.243 5.370 8.569 1.00 0.00 C ATOM 786 CG PHE A 128 1.607 6.821 8.710 1.00 0.00 C ATOM 787 CD1 PHE A 128 2.294 7.478 7.703 1.00 0.00 C ATOM 788 CD2 PHE A 128 1.261 7.528 9.851 1.00 0.00 C ATOM 789 CE1 PHE A 128 2.630 8.813 7.829 1.00 0.00 C ATOM 790 CE2 PHE A 128 1.593 8.863 9.983 1.00 0.00 C ATOM 791 CZ PHE A 128 2.280 9.506 8.971 1.00 0.00 C ATOM 0 H PHE A 128 3.725 4.730 10.268 1.00 0.00 H new ATOM 0 HA PHE A 128 2.165 3.460 8.222 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.726 5.224 7.621 1.00 0.00 H new ATOM 0 HB3 PHE A 128 0.542 5.101 9.359 1.00 0.00 H new ATOM 0 HD1 PHE A 128 2.571 6.941 6.808 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.726 7.030 10.646 1.00 0.00 H new ATOM 0 HE1 PHE A 128 3.165 9.313 7.036 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.316 9.403 10.876 1.00 0.00 H new ATOM 0 HZ PHE A 128 2.543 10.549 9.073 1.00 0.00 H new ATOM 801 N ALA A 129 3.628 4.607 6.518 1.00 0.00 N ATOM 802 CA ALA A 129 4.666 5.074 5.607 1.00 0.00 C ATOM 803 C ALA A 129 4.060 5.792 4.406 1.00 0.00 C ATOM 804 O ALA A 129 2.839 5.903 4.287 1.00 0.00 O ATOM 805 CB ALA A 129 5.528 3.908 5.147 1.00 0.00 C ATOM 0 H ALA A 129 2.951 3.971 6.096 1.00 0.00 H new ATOM 0 HA ALA A 129 5.293 5.786 6.144 1.00 0.00 H new ATOM 0 HB1 ALA A 129 6.299 4.271 4.467 1.00 0.00 H new ATOM 0 HB2 ALA A 129 5.998 3.440 6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 129 4.906 3.176 4.632 1.00 0.00 H new ATOM 811 N TYR A 130 4.920 6.280 3.519 1.00 0.00 N ATOM 812 CA TYR A 130 4.469 6.991 2.328 1.00 0.00 C ATOM 813 C TYR A 130 5.218 6.508 1.089 1.00 0.00 C ATOM 814 O TYR A 130 6.447 6.450 1.077 1.00 0.00 O ATOM 815 CB TYR A 130 4.667 8.497 2.503 1.00 0.00 C ATOM 816 CG TYR A 130 3.479 9.196 3.124 1.00 0.00 C ATOM 817 CD1 TYR A 130 2.263 9.269 2.457 1.00 0.00 C ATOM 818 CD2 TYR A 130 3.573 9.783 4.380 1.00 0.00 C ATOM 819 CE1 TYR A 130 1.175 9.907 3.021 1.00 0.00 C ATOM 820 CE2 TYR A 130 2.490 10.422 4.953 1.00 0.00 C ATOM 821 CZ TYR A 130 1.294 10.482 4.269 1.00 0.00 C ATOM 822 OH TYR A 130 0.212 11.117 4.835 1.00 0.00 O ATOM 0 H TYR A 130 5.933 6.196 3.602 1.00 0.00 H new ATOM 0 HA TYR A 130 3.407 6.784 2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 130 5.545 8.670 3.125 1.00 0.00 H new ATOM 0 HB3 TYR A 130 4.873 8.943 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 130 2.166 8.819 1.480 1.00 0.00 H new ATOM 0 HD2 TYR A 130 4.509 9.739 4.918 1.00 0.00 H new ATOM 0 HE1 TYR A 130 0.237 9.955 2.488 1.00 0.00 H new ATOM 0 HE2 TYR A 130 2.580 10.872 5.931 1.00 0.00 H new ATOM 0 HH TYR A 130 0.462 11.467 5.716 1.00 0.00 H new ATOM 832 N ILE A 131 4.466 6.163 0.049 1.00 0.00 N ATOM 833 CA ILE A 131 5.057 5.687 -1.195 1.00 0.00 C ATOM 834 C ILE A 131 5.028 6.771 -2.267 1.00 0.00 C ATOM 835 O ILE A 131 3.971 7.317 -2.583 1.00 0.00 O ATOM 836 CB ILE A 131 4.327 4.438 -1.724 1.00 0.00 C ATOM 837 CG1 ILE A 131 4.049 3.461 -0.580 1.00 0.00 C ATOM 838 CG2 ILE A 131 5.149 3.766 -2.814 1.00 0.00 C ATOM 839 CD1 ILE A 131 5.201 2.525 -0.291 1.00 0.00 C ATOM 0 H ILE A 131 3.447 6.204 0.044 1.00 0.00 H new ATOM 0 HA ILE A 131 6.092 5.426 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 131 3.374 4.747 -2.153 1.00 0.00 H new ATOM 0 HG12 ILE A 131 3.817 4.027 0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 131 3.165 2.872 -0.823 1.00 0.00 H new ATOM 0 HG21 ILE A 131 4.620 2.885 -3.178 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.301 4.464 -3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.116 3.467 -2.409 1.00 0.00 H new ATOM 0 HD11 ILE A 131 4.933 1.861 0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 131 5.420 1.932 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 131 6.082 3.106 -0.016 1.00 0.00 H new ATOM 851 N GLN A 132 6.195 7.076 -2.825 1.00 0.00 N ATOM 852 CA GLN A 132 6.303 8.094 -3.863 1.00 0.00 C ATOM 853 C GLN A 132 6.536 7.456 -5.229 1.00 0.00 C ATOM 854 O GLN A 132 7.490 6.701 -5.418 1.00 0.00 O ATOM 855 CB GLN A 132 7.440 9.065 -3.540 1.00 0.00 C ATOM 856 CG GLN A 132 7.489 10.273 -4.461 1.00 0.00 C ATOM 857 CD GLN A 132 6.252 11.142 -4.350 1.00 0.00 C ATOM 858 OE1 GLN A 132 5.474 11.017 -3.404 1.00 0.00 O ATOM 859 NE2 GLN A 132 6.064 12.030 -5.319 1.00 0.00 N ATOM 0 H GLN A 132 7.079 6.633 -2.576 1.00 0.00 H new ATOM 0 HA GLN A 132 5.363 8.645 -3.895 1.00 0.00 H new ATOM 0 HB2 GLN A 132 7.333 9.407 -2.511 1.00 0.00 H new ATOM 0 HB3 GLN A 132 8.389 8.533 -3.602 1.00 0.00 H new ATOM 0 HG2 GLN A 132 8.370 10.870 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 132 7.600 9.935 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 132 6.735 12.099 -6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 132 5.249 12.643 -5.298 1.00 0.00 H new ATOM 868 N TYR A 133 5.659 7.765 -6.178 1.00 0.00 N ATOM 869 CA TYR A 133 5.768 7.219 -7.526 1.00 0.00 C ATOM 870 C TYR A 133 6.259 8.281 -8.505 1.00 0.00 C ATOM 871 O TYR A 133 6.067 9.477 -8.288 1.00 0.00 O ATOM 872 CB TYR A 133 4.417 6.671 -7.987 1.00 0.00 C ATOM 873 CG TYR A 133 4.151 5.254 -7.531 1.00 0.00 C ATOM 874 CD1 TYR A 133 4.698 4.171 -8.210 1.00 0.00 C ATOM 875 CD2 TYR A 133 3.353 4.997 -6.423 1.00 0.00 C ATOM 876 CE1 TYR A 133 4.458 2.874 -7.797 1.00 0.00 C ATOM 877 CE2 TYR A 133 3.109 3.704 -6.003 1.00 0.00 C ATOM 878 CZ TYR A 133 3.663 2.646 -6.693 1.00 0.00 C ATOM 879 OH TYR A 133 3.421 1.356 -6.279 1.00 0.00 O ATOM 0 H TYR A 133 4.865 8.390 -6.039 1.00 0.00 H new ATOM 0 HA TYR A 133 6.494 6.406 -7.504 1.00 0.00 H new ATOM 0 HB2 TYR A 133 3.625 7.319 -7.613 1.00 0.00 H new ATOM 0 HB3 TYR A 133 4.372 6.708 -9.075 1.00 0.00 H new ATOM 0 HD1 TYR A 133 5.321 4.346 -9.075 1.00 0.00 H new ATOM 0 HD2 TYR A 133 2.916 5.822 -5.881 1.00 0.00 H new ATOM 0 HE1 TYR A 133 4.890 2.044 -8.336 1.00 0.00 H new ATOM 0 HE2 TYR A 133 2.488 3.522 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 133 3.883 0.729 -6.874 1.00 0.00 H new ATOM 889 N GLU A 134 6.895 7.834 -9.583 1.00 0.00 N ATOM 890 CA GLU A 134 7.414 8.745 -10.596 1.00 0.00 C ATOM 891 C GLU A 134 6.287 9.282 -11.474 1.00 0.00 C ATOM 892 O GLU A 134 6.420 10.335 -12.097 1.00 0.00 O ATOM 893 CB GLU A 134 8.458 8.038 -11.463 1.00 0.00 C ATOM 894 CG GLU A 134 9.855 8.052 -10.866 1.00 0.00 C ATOM 895 CD GLU A 134 10.522 9.410 -10.975 1.00 0.00 C ATOM 896 OE1 GLU A 134 10.389 10.052 -12.038 1.00 0.00 O ATOM 897 OE2 GLU A 134 11.177 9.830 -9.999 1.00 0.00 O ATOM 0 H GLU A 134 7.063 6.847 -9.777 1.00 0.00 H new ATOM 0 HA GLU A 134 7.885 9.585 -10.085 1.00 0.00 H new ATOM 0 HB2 GLU A 134 8.149 7.004 -11.619 1.00 0.00 H new ATOM 0 HB3 GLU A 134 8.486 8.514 -12.443 1.00 0.00 H new ATOM 0 HG2 GLU A 134 9.801 7.761 -9.817 1.00 0.00 H new ATOM 0 HG3 GLU A 134 10.470 7.308 -11.372 1.00 0.00 H new ATOM 904 N SER A 135 5.179 8.549 -11.519 1.00 0.00 N ATOM 905 CA SER A 135 4.031 8.948 -12.324 1.00 0.00 C ATOM 906 C SER A 135 2.735 8.798 -11.533 1.00 0.00 C ATOM 907 O SER A 135 2.530 7.803 -10.836 1.00 0.00 O ATOM 908 CB SER A 135 3.961 8.110 -13.602 1.00 0.00 C ATOM 909 OG SER A 135 3.349 8.835 -14.654 1.00 0.00 O ATOM 0 H SER A 135 5.052 7.676 -11.007 1.00 0.00 H new ATOM 0 HA SER A 135 4.154 9.997 -12.592 1.00 0.00 H new ATOM 0 HB2 SER A 135 4.966 7.810 -13.899 1.00 0.00 H new ATOM 0 HB3 SER A 135 3.399 7.196 -13.411 1.00 0.00 H new ATOM 0 HG SER A 135 3.318 8.278 -15.460 1.00 0.00 H new ATOM 915 N LEU A 136 1.863 9.794 -11.645 1.00 0.00 N ATOM 916 CA LEU A 136 0.585 9.775 -10.940 1.00 0.00 C ATOM 917 C LEU A 136 -0.196 8.505 -11.263 1.00 0.00 C ATOM 918 O LEU A 136 -0.605 7.771 -10.364 1.00 0.00 O ATOM 919 CB LEU A 136 -0.243 11.006 -11.313 1.00 0.00 C ATOM 920 CG LEU A 136 -1.408 11.339 -10.380 1.00 0.00 C ATOM 921 CD1 LEU A 136 -1.834 12.788 -10.554 1.00 0.00 C ATOM 922 CD2 LEU A 136 -2.580 10.402 -10.635 1.00 0.00 C ATOM 0 H LEU A 136 2.017 10.625 -12.217 1.00 0.00 H new ATOM 0 HA LEU A 136 0.788 9.792 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.422 11.868 -11.353 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.639 10.862 -12.318 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.075 11.201 -9.351 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -2.664 13.006 -9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -0.996 13.444 -10.320 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -2.148 12.954 -11.584 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -3.400 10.653 -9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -2.912 10.508 -11.668 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.268 9.373 -10.458 1.00 0.00 H new ATOM 934 N ASP A 137 -0.397 8.252 -12.551 1.00 0.00 N ATOM 935 CA ASP A 137 -1.126 7.069 -12.993 1.00 0.00 C ATOM 936 C ASP A 137 -0.695 5.838 -12.202 1.00 0.00 C ATOM 937 O ASP A 137 -1.499 5.229 -11.497 1.00 0.00 O ATOM 938 CB ASP A 137 -0.902 6.834 -14.488 1.00 0.00 C ATOM 939 CG ASP A 137 -1.895 5.851 -15.075 1.00 0.00 C ATOM 940 OD1 ASP A 137 -3.046 5.811 -14.593 1.00 0.00 O ATOM 941 OD2 ASP A 137 -1.521 5.120 -16.017 1.00 0.00 O ATOM 0 H ASP A 137 -0.065 8.850 -13.308 1.00 0.00 H new ATOM 0 HA ASP A 137 -2.188 7.240 -12.815 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -0.979 7.784 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 137 0.110 6.462 -14.647 1.00 0.00 H new ATOM 946 N ALA A 138 0.578 5.478 -12.324 1.00 0.00 N ATOM 947 CA ALA A 138 1.116 4.320 -11.620 1.00 0.00 C ATOM 948 C ALA A 138 0.652 4.298 -10.168 1.00 0.00 C ATOM 949 O ALA A 138 0.347 3.238 -9.620 1.00 0.00 O ATOM 950 CB ALA A 138 2.635 4.319 -11.691 1.00 0.00 C ATOM 0 H ALA A 138 1.257 5.972 -12.904 1.00 0.00 H new ATOM 0 HA ALA A 138 0.740 3.421 -12.108 1.00 0.00 H new ATOM 0 HB1 ALA A 138 3.023 3.449 -11.161 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.950 4.280 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 138 3.021 5.227 -11.229 1.00 0.00 H new ATOM 956 N ALA A 139 0.601 5.473 -9.549 1.00 0.00 N ATOM 957 CA ALA A 139 0.173 5.587 -8.160 1.00 0.00 C ATOM 958 C ALA A 139 -1.282 5.162 -7.997 1.00 0.00 C ATOM 959 O ALA A 139 -1.633 4.474 -7.039 1.00 0.00 O ATOM 960 CB ALA A 139 0.368 7.012 -7.664 1.00 0.00 C ATOM 0 H ALA A 139 0.851 6.359 -9.987 1.00 0.00 H new ATOM 0 HA ALA A 139 0.788 4.917 -7.559 1.00 0.00 H new ATOM 0 HB1 ALA A 139 0.044 7.083 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 139 1.422 7.281 -7.735 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -0.223 7.694 -8.276 1.00 0.00 H new ATOM 966 N GLN A 140 -2.124 5.577 -8.939 1.00 0.00 N ATOM 967 CA GLN A 140 -3.542 5.240 -8.898 1.00 0.00 C ATOM 968 C GLN A 140 -3.741 3.728 -8.873 1.00 0.00 C ATOM 969 O GLN A 140 -4.571 3.213 -8.124 1.00 0.00 O ATOM 970 CB GLN A 140 -4.266 5.842 -10.103 1.00 0.00 C ATOM 971 CG GLN A 140 -4.380 7.357 -10.049 1.00 0.00 C ATOM 972 CD GLN A 140 -5.039 7.937 -11.285 1.00 0.00 C ATOM 973 OE1 GLN A 140 -4.899 7.402 -12.386 1.00 0.00 O ATOM 974 NE2 GLN A 140 -5.762 9.036 -11.110 1.00 0.00 N ATOM 0 H GLN A 140 -1.849 6.147 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 140 -3.963 5.659 -7.984 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -3.738 5.558 -11.013 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -5.266 5.413 -10.168 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -4.954 7.643 -9.168 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -3.386 7.789 -9.936 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -5.851 9.445 -10.180 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -6.229 9.471 -11.906 1.00 0.00 H new ATOM 983 N ALA A 141 -2.974 3.021 -9.697 1.00 0.00 N ATOM 984 CA ALA A 141 -3.065 1.568 -9.769 1.00 0.00 C ATOM 985 C ALA A 141 -2.924 0.941 -8.386 1.00 0.00 C ATOM 986 O ALA A 141 -3.876 0.374 -7.851 1.00 0.00 O ATOM 987 CB ALA A 141 -2.005 1.019 -10.711 1.00 0.00 C ATOM 0 H ALA A 141 -2.282 3.432 -10.324 1.00 0.00 H new ATOM 0 HA ALA A 141 -4.049 1.308 -10.158 1.00 0.00 H new ATOM 0 HB1 ALA A 141 -2.085 -0.067 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 141 -2.154 1.434 -11.708 1.00 0.00 H new ATOM 0 HB3 ALA A 141 -1.016 1.296 -10.346 1.00 0.00 H new ATOM 993 N ALA A 142 -1.729 1.046 -7.813 1.00 0.00 N ATOM 994 CA ALA A 142 -1.464 0.489 -6.492 1.00 0.00 C ATOM 995 C ALA A 142 -2.544 0.900 -5.497 1.00 0.00 C ATOM 996 O ALA A 142 -3.172 0.051 -4.863 1.00 0.00 O ATOM 997 CB ALA A 142 -0.094 0.930 -6.000 1.00 0.00 C ATOM 0 H ALA A 142 -0.930 1.511 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 142 -1.476 -0.598 -6.573 1.00 0.00 H new ATOM 0 HB1 ALA A 142 0.091 0.507 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 142 0.671 0.581 -6.694 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -0.062 2.018 -5.941 1.00 0.00 H new ATOM 1003 N CYS A 143 -2.753 2.204 -5.364 1.00 0.00 N ATOM 1004 CA CYS A 143 -3.757 2.728 -4.443 1.00 0.00 C ATOM 1005 C CYS A 143 -4.972 1.807 -4.383 1.00 0.00 C ATOM 1006 O CYS A 143 -5.536 1.576 -3.314 1.00 0.00 O ATOM 1007 CB CYS A 143 -4.187 4.132 -4.869 1.00 0.00 C ATOM 1008 SG CYS A 143 -5.108 5.038 -3.604 1.00 0.00 S ATOM 0 H CYS A 143 -2.241 2.919 -5.881 1.00 0.00 H new ATOM 0 HA CYS A 143 -3.312 2.779 -3.449 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -3.300 4.706 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -4.802 4.056 -5.766 1.00 0.00 H new ATOM 0 HG CYS A 143 -5.260 6.273 -3.979 1.00 0.00 H new ATOM 1014 N ALA A 144 -5.370 1.286 -5.539 1.00 0.00 N ATOM 1015 CA ALA A 144 -6.518 0.390 -5.617 1.00 0.00 C ATOM 1016 C ALA A 144 -6.089 -1.066 -5.475 1.00 0.00 C ATOM 1017 O ALA A 144 -6.486 -1.753 -4.534 1.00 0.00 O ATOM 1018 CB ALA A 144 -7.261 0.598 -6.929 1.00 0.00 C ATOM 0 H ALA A 144 -4.915 1.469 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 144 -7.189 0.626 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -8.116 -0.077 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -7.609 1.629 -6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -6.591 0.391 -7.763 1.00 0.00 H new ATOM 1024 N LYS A 145 -5.276 -1.533 -6.417 1.00 0.00 N ATOM 1025 CA LYS A 145 -4.792 -2.908 -6.398 1.00 0.00 C ATOM 1026 C LYS A 145 -4.306 -3.294 -5.004 1.00 0.00 C ATOM 1027 O LYS A 145 -4.805 -4.247 -4.405 1.00 0.00 O ATOM 1028 CB LYS A 145 -3.659 -3.086 -7.411 1.00 0.00 C ATOM 1029 CG LYS A 145 -4.137 -3.500 -8.792 1.00 0.00 C ATOM 1030 CD LYS A 145 -4.887 -2.374 -9.483 1.00 0.00 C ATOM 1031 CE LYS A 145 -5.826 -2.905 -10.556 1.00 0.00 C ATOM 1032 NZ LYS A 145 -7.180 -3.200 -10.011 1.00 0.00 N ATOM 0 H LYS A 145 -4.938 -0.978 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 145 -5.620 -3.562 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 145 -3.106 -2.150 -7.493 1.00 0.00 H new ATOM 0 HB3 LYS A 145 -2.963 -3.836 -7.037 1.00 0.00 H new ATOM 0 HG2 LYS A 145 -3.282 -3.796 -9.400 1.00 0.00 H new ATOM 0 HG3 LYS A 145 -4.785 -4.372 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 145 -5.458 -1.809 -8.746 1.00 0.00 H new ATOM 0 HD3 LYS A 145 -4.174 -1.682 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 145 -5.909 -2.174 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 145 -5.404 -3.811 -10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 145 -7.790 -3.560 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 145 -7.104 -3.917 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 145 -7.593 -2.330 -9.618 1.00 0.00 H new ATOM 1046 N MET A 146 -3.332 -2.548 -4.494 1.00 0.00 N ATOM 1047 CA MET A 146 -2.782 -2.812 -3.169 1.00 0.00 C ATOM 1048 C MET A 146 -3.892 -2.896 -2.127 1.00 0.00 C ATOM 1049 O MET A 146 -3.960 -3.853 -1.354 1.00 0.00 O ATOM 1050 CB MET A 146 -1.784 -1.720 -2.781 1.00 0.00 C ATOM 1051 CG MET A 146 -0.452 -1.828 -3.506 1.00 0.00 C ATOM 1052 SD MET A 146 0.328 -3.439 -3.289 1.00 0.00 S ATOM 1053 CE MET A 146 1.057 -3.245 -1.664 1.00 0.00 C ATOM 0 H MET A 146 -2.907 -1.756 -4.977 1.00 0.00 H new ATOM 0 HA MET A 146 -2.265 -3.771 -3.202 1.00 0.00 H new ATOM 0 HB2 MET A 146 -2.225 -0.745 -2.991 1.00 0.00 H new ATOM 0 HB3 MET A 146 -1.608 -1.765 -1.706 1.00 0.00 H new ATOM 0 HG2 MET A 146 -0.605 -1.643 -4.569 1.00 0.00 H new ATOM 0 HG3 MET A 146 0.220 -1.051 -3.141 1.00 0.00 H new ATOM 0 HE1 MET A 146 2.136 -3.124 -1.761 1.00 0.00 H new ATOM 0 HE2 MET A 146 0.635 -2.365 -1.179 1.00 0.00 H new ATOM 0 HE3 MET A 146 0.844 -4.128 -1.062 1.00 0.00 H new ATOM 1063 N ARG A 147 -4.760 -1.890 -2.110 1.00 0.00 N ATOM 1064 CA ARG A 147 -5.866 -1.850 -1.161 1.00 0.00 C ATOM 1065 C ARG A 147 -6.501 -3.229 -1.008 1.00 0.00 C ATOM 1066 O ARG A 147 -7.368 -3.615 -1.791 1.00 0.00 O ATOM 1067 CB ARG A 147 -6.920 -0.839 -1.615 1.00 0.00 C ATOM 1068 CG ARG A 147 -7.828 -0.360 -0.494 1.00 0.00 C ATOM 1069 CD ARG A 147 -9.058 -1.243 -0.357 1.00 0.00 C ATOM 1070 NE ARG A 147 -9.998 -0.722 0.632 1.00 0.00 N ATOM 1071 CZ ARG A 147 -10.829 0.287 0.396 1.00 0.00 C ATOM 1072 NH1 ARG A 147 -10.836 0.881 -0.790 1.00 0.00 N ATOM 1073 NH2 ARG A 147 -11.655 0.705 1.347 1.00 0.00 N ATOM 0 H ARG A 147 -4.719 -1.091 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 147 -5.470 -1.542 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 147 -6.419 0.022 -2.058 1.00 0.00 H new ATOM 0 HB3 ARG A 147 -7.530 -1.290 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 147 -7.276 -0.355 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 147 -8.136 0.667 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 147 -9.556 -1.324 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 147 -8.752 -2.249 -0.071 1.00 0.00 H new ATOM 0 HE ARG A 147 -10.017 -1.157 1.554 1.00 0.00 H new ATOM 0 HH11 ARG A 147 -10.202 0.563 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 147 -11.475 1.656 -0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 147 -11.652 0.251 2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 147 -12.293 1.480 1.164 1.00 0.00 H new ATOM 1087 N GLY A 148 -6.062 -3.969 0.006 1.00 0.00 N ATOM 1088 CA GLY A 148 -6.597 -5.296 0.243 1.00 0.00 C ATOM 1089 C GLY A 148 -5.571 -6.386 0.006 1.00 0.00 C ATOM 1090 O GLY A 148 -5.909 -7.480 -0.447 1.00 0.00 O ATOM 0 H GLY A 148 -5.345 -3.672 0.668 1.00 0.00 H new ATOM 0 HA2 GLY A 148 -6.960 -5.360 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 148 -7.454 -5.460 -0.410 1.00 0.00 H new ATOM 1094 N PHE A 149 -4.312 -6.088 0.311 1.00 0.00 N ATOM 1095 CA PHE A 149 -3.232 -7.050 0.126 1.00 0.00 C ATOM 1096 C PHE A 149 -3.214 -8.072 1.260 1.00 0.00 C ATOM 1097 O PHE A 149 -3.421 -7.744 2.428 1.00 0.00 O ATOM 1098 CB PHE A 149 -1.885 -6.329 0.053 1.00 0.00 C ATOM 1099 CG PHE A 149 -0.741 -7.230 -0.316 1.00 0.00 C ATOM 1100 CD1 PHE A 149 -0.309 -8.215 0.558 1.00 0.00 C ATOM 1101 CD2 PHE A 149 -0.099 -7.092 -1.536 1.00 0.00 C ATOM 1102 CE1 PHE A 149 0.743 -9.046 0.221 1.00 0.00 C ATOM 1103 CE2 PHE A 149 0.953 -7.921 -1.878 1.00 0.00 C ATOM 1104 CZ PHE A 149 1.375 -8.898 -0.998 1.00 0.00 C ATOM 0 H PHE A 149 -4.015 -5.188 0.687 1.00 0.00 H new ATOM 0 HA PHE A 149 -3.405 -7.577 -0.812 1.00 0.00 H new ATOM 0 HB2 PHE A 149 -1.953 -5.523 -0.678 1.00 0.00 H new ATOM 0 HB3 PHE A 149 -1.676 -5.867 1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 149 -0.800 -8.335 1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 149 -0.424 -6.328 -2.227 1.00 0.00 H new ATOM 0 HE1 PHE A 149 1.070 -9.810 0.910 1.00 0.00 H new ATOM 0 HE2 PHE A 149 1.444 -7.805 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 149 2.198 -9.545 -1.263 1.00 0.00 H new ATOM 1114 N PRO A 150 -2.960 -9.341 0.907 1.00 0.00 N ATOM 1115 CA PRO A 150 -2.908 -10.437 1.879 1.00 0.00 C ATOM 1116 C PRO A 150 -1.691 -10.344 2.794 1.00 0.00 C ATOM 1117 O PRO A 150 -0.691 -11.032 2.584 1.00 0.00 O ATOM 1118 CB PRO A 150 -2.822 -11.687 1.000 1.00 0.00 C ATOM 1119 CG PRO A 150 -2.215 -11.213 -0.275 1.00 0.00 C ATOM 1120 CD PRO A 150 -2.703 -9.804 -0.467 1.00 0.00 C ATOM 0 HA PRO A 150 -3.768 -10.429 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -2.210 -12.458 1.467 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -3.808 -12.121 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -1.127 -11.246 -0.225 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -2.515 -11.847 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -1.958 -9.185 -0.967 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -3.605 -9.771 -1.077 1.00 0.00 H new ATOM 1128 N LEU A 151 -1.783 -9.491 3.807 1.00 0.00 N ATOM 1129 CA LEU A 151 -0.688 -9.308 4.755 1.00 0.00 C ATOM 1130 C LEU A 151 -1.203 -9.322 6.191 1.00 0.00 C ATOM 1131 O LEU A 151 -2.140 -8.602 6.532 1.00 0.00 O ATOM 1132 CB LEU A 151 0.041 -7.993 4.475 1.00 0.00 C ATOM 1133 CG LEU A 151 1.258 -8.083 3.553 1.00 0.00 C ATOM 1134 CD1 LEU A 151 2.015 -6.764 3.538 1.00 0.00 C ATOM 1135 CD2 LEU A 151 2.172 -9.220 3.986 1.00 0.00 C ATOM 0 H LEU A 151 -2.604 -8.915 3.994 1.00 0.00 H new ATOM 0 HA LEU A 151 0.010 -10.136 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -0.670 -7.293 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 151 0.362 -7.569 5.426 1.00 0.00 H new ATOM 0 HG LEU A 151 0.909 -8.289 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 151 2.878 -6.847 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 151 1.358 -5.971 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 151 2.353 -6.527 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 151 3.033 -9.269 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 151 2.513 -9.044 5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 151 1.626 -10.162 3.944 1.00 0.00 H new ATOM 1147 N GLY A 152 -0.582 -10.146 7.029 1.00 0.00 N ATOM 1148 CA GLY A 152 -0.990 -10.236 8.419 1.00 0.00 C ATOM 1149 C GLY A 152 -2.102 -11.244 8.632 1.00 0.00 C ATOM 1150 O GLY A 152 -1.846 -12.398 8.976 1.00 0.00 O ATOM 0 H GLY A 152 0.196 -10.753 6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 152 -0.131 -10.513 9.030 1.00 0.00 H new ATOM 0 HA3 GLY A 152 -1.322 -9.256 8.761 1.00 0.00 H new ATOM 1154 N GLY A 153 -3.341 -10.807 8.430 1.00 0.00 N ATOM 1155 CA GLY A 153 -4.478 -11.692 8.609 1.00 0.00 C ATOM 1156 C GLY A 153 -5.490 -11.569 7.488 1.00 0.00 C ATOM 1157 O GLY A 153 -5.277 -10.859 6.505 1.00 0.00 O ATOM 0 H GLY A 153 -3.578 -9.857 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -4.127 -12.722 8.666 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -4.963 -11.467 9.559 1.00 0.00 H new ATOM 1161 N PRO A 154 -6.623 -12.274 7.628 1.00 0.00 N ATOM 1162 CA PRO A 154 -7.694 -12.258 6.627 1.00 0.00 C ATOM 1163 C PRO A 154 -8.420 -10.918 6.576 1.00 0.00 C ATOM 1164 O PRO A 154 -8.717 -10.403 5.498 1.00 0.00 O ATOM 1165 CB PRO A 154 -8.641 -13.362 7.105 1.00 0.00 C ATOM 1166 CG PRO A 154 -8.400 -13.460 8.571 1.00 0.00 C ATOM 1167 CD PRO A 154 -6.944 -13.141 8.774 1.00 0.00 C ATOM 0 HA PRO A 154 -7.312 -12.412 5.618 1.00 0.00 H new ATOM 0 HB2 PRO A 154 -9.680 -13.112 6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 154 -8.431 -14.308 6.605 1.00 0.00 H new ATOM 0 HG2 PRO A 154 -9.033 -12.761 9.118 1.00 0.00 H new ATOM 0 HG3 PRO A 154 -8.636 -14.458 8.939 1.00 0.00 H new ATOM 0 HD2 PRO A 154 -6.772 -12.633 9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 154 -6.332 -14.043 8.780 1.00 0.00 H new ATOM 1175 N ASP A 155 -8.701 -10.358 7.748 1.00 0.00 N ATOM 1176 CA ASP A 155 -9.391 -9.076 7.836 1.00 0.00 C ATOM 1177 C ASP A 155 -8.392 -7.924 7.888 1.00 0.00 C ATOM 1178 O ASP A 155 -8.659 -6.836 7.379 1.00 0.00 O ATOM 1179 CB ASP A 155 -10.292 -9.042 9.072 1.00 0.00 C ATOM 1180 CG ASP A 155 -11.360 -7.970 8.980 1.00 0.00 C ATOM 1181 OD1 ASP A 155 -11.022 -6.780 9.152 1.00 0.00 O ATOM 1182 OD2 ASP A 155 -12.533 -8.321 8.736 1.00 0.00 O ATOM 0 H ASP A 155 -8.462 -10.771 8.649 1.00 0.00 H new ATOM 0 HA ASP A 155 -10.006 -8.960 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 155 -10.767 -10.015 9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 155 -9.682 -8.868 9.958 1.00 0.00 H new ATOM 1187 N ARG A 156 -7.242 -8.172 8.507 1.00 0.00 N ATOM 1188 CA ARG A 156 -6.205 -7.155 8.627 1.00 0.00 C ATOM 1189 C ARG A 156 -5.465 -6.974 7.304 1.00 0.00 C ATOM 1190 O ARG A 156 -4.442 -7.614 7.062 1.00 0.00 O ATOM 1191 CB ARG A 156 -5.215 -7.533 9.730 1.00 0.00 C ATOM 1192 CG ARG A 156 -5.855 -7.671 11.101 1.00 0.00 C ATOM 1193 CD ARG A 156 -4.874 -8.231 12.120 1.00 0.00 C ATOM 1194 NE ARG A 156 -3.944 -7.213 12.601 1.00 0.00 N ATOM 1195 CZ ARG A 156 -4.252 -6.317 13.532 1.00 0.00 C ATOM 1196 NH1 ARG A 156 -5.459 -6.313 14.080 1.00 0.00 N ATOM 1197 NH2 ARG A 156 -3.351 -5.422 13.916 1.00 0.00 N ATOM 0 H ARG A 156 -7.005 -9.068 8.933 1.00 0.00 H new ATOM 0 HA ARG A 156 -6.685 -6.212 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 156 -4.733 -8.475 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 156 -4.432 -6.777 9.778 1.00 0.00 H new ATOM 0 HG2 ARG A 156 -6.213 -6.698 11.436 1.00 0.00 H new ATOM 0 HG3 ARG A 156 -6.724 -8.325 11.034 1.00 0.00 H new ATOM 0 HD2 ARG A 156 -5.425 -8.646 12.964 1.00 0.00 H new ATOM 0 HD3 ARG A 156 -4.313 -9.051 11.671 1.00 0.00 H new ATOM 0 HE ARG A 156 -3.006 -7.189 12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 156 -6.154 -6.999 13.787 1.00 0.00 H new ATOM 0 HH12 ARG A 156 -5.692 -5.624 14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 156 -2.421 -5.422 13.496 1.00 0.00 H new ATOM 0 HH22 ARG A 156 -3.588 -4.734 14.631 1.00 0.00 H new ATOM 1211 N ARG A 157 -5.991 -6.099 6.453 1.00 0.00 N ATOM 1212 CA ARG A 157 -5.381 -5.836 5.155 1.00 0.00 C ATOM 1213 C ARG A 157 -4.774 -4.437 5.114 1.00 0.00 C ATOM 1214 O ARG A 157 -5.146 -3.563 5.898 1.00 0.00 O ATOM 1215 CB ARG A 157 -6.419 -5.986 4.041 1.00 0.00 C ATOM 1216 CG ARG A 157 -7.418 -4.842 3.981 1.00 0.00 C ATOM 1217 CD ARG A 157 -8.679 -5.243 3.232 1.00 0.00 C ATOM 1218 NE ARG A 157 -9.678 -5.834 4.119 1.00 0.00 N ATOM 1219 CZ ARG A 157 -10.414 -5.128 4.969 1.00 0.00 C ATOM 1220 NH1 ARG A 157 -10.265 -3.813 5.048 1.00 0.00 N ATOM 1221 NH2 ARG A 157 -11.303 -5.738 5.744 1.00 0.00 N ATOM 0 H ARG A 157 -6.837 -5.561 6.639 1.00 0.00 H new ATOM 0 HA ARG A 157 -4.584 -6.564 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 157 -5.904 -6.058 3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 157 -6.959 -6.922 4.183 1.00 0.00 H new ATOM 0 HG2 ARG A 157 -7.678 -4.531 4.993 1.00 0.00 H new ATOM 0 HG3 ARG A 157 -6.960 -3.983 3.491 1.00 0.00 H new ATOM 0 HD2 ARG A 157 -9.103 -4.367 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -8.424 -5.956 2.448 1.00 0.00 H new ATOM 0 HE ARG A 157 -9.818 -6.844 4.083 1.00 0.00 H new ATOM 0 HH11 ARG A 157 -9.583 -3.340 4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 157 -10.832 -3.274 5.702 1.00 0.00 H new ATOM 0 HH21 ARG A 157 -11.421 -6.750 5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 157 -11.868 -5.195 6.397 1.00 0.00 H new ATOM 1235 N LEU A 158 -3.836 -4.232 4.195 1.00 0.00 N ATOM 1236 CA LEU A 158 -3.176 -2.939 4.051 1.00 0.00 C ATOM 1237 C LEU A 158 -4.179 -1.854 3.676 1.00 0.00 C ATOM 1238 O LEU A 158 -5.189 -2.126 3.026 1.00 0.00 O ATOM 1239 CB LEU A 158 -2.076 -3.021 2.992 1.00 0.00 C ATOM 1240 CG LEU A 158 -1.000 -4.083 3.222 1.00 0.00 C ATOM 1241 CD1 LEU A 158 -0.107 -4.213 1.997 1.00 0.00 C ATOM 1242 CD2 LEU A 158 -0.172 -3.744 4.453 1.00 0.00 C ATOM 0 H LEU A 158 -3.516 -4.944 3.539 1.00 0.00 H new ATOM 0 HA LEU A 158 -2.729 -2.678 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -2.543 -3.210 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -1.589 -2.048 2.926 1.00 0.00 H new ATOM 0 HG LEU A 158 -1.492 -5.041 3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 158 0.653 -4.973 2.179 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -0.710 -4.502 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 158 0.377 -3.257 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 158 0.589 -4.510 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 158 0.310 -2.776 4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -0.821 -3.702 5.328 1.00 0.00 H new ATOM 1254 N ARG A 159 -3.894 -0.623 4.087 1.00 0.00 N ATOM 1255 CA ARG A 159 -4.771 0.504 3.793 1.00 0.00 C ATOM 1256 C ARG A 159 -4.055 1.539 2.930 1.00 0.00 C ATOM 1257 O ARG A 159 -3.089 2.165 3.366 1.00 0.00 O ATOM 1258 CB ARG A 159 -5.255 1.153 5.091 1.00 0.00 C ATOM 1259 CG ARG A 159 -6.621 1.810 4.971 1.00 0.00 C ATOM 1260 CD ARG A 159 -7.739 0.836 5.306 1.00 0.00 C ATOM 1261 NE ARG A 159 -8.055 0.836 6.732 1.00 0.00 N ATOM 1262 CZ ARG A 159 -8.657 1.845 7.352 1.00 0.00 C ATOM 1263 NH1 ARG A 159 -9.007 2.929 6.674 1.00 0.00 N ATOM 1264 NH2 ARG A 159 -8.911 1.770 8.652 1.00 0.00 N ATOM 0 H ARG A 159 -3.062 -0.380 4.625 1.00 0.00 H new ATOM 0 HA ARG A 159 -5.632 0.128 3.240 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -5.293 0.396 5.874 1.00 0.00 H new ATOM 0 HB3 ARG A 159 -4.528 1.901 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 159 -6.673 2.669 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 159 -6.757 2.187 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 159 -8.631 1.098 4.737 1.00 0.00 H new ATOM 0 HD3 ARG A 159 -7.449 -0.169 4.999 1.00 0.00 H new ATOM 0 HE ARG A 159 -7.799 0.016 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 159 -8.814 2.990 5.674 1.00 0.00 H new ATOM 0 HH12 ARG A 159 -9.469 3.702 7.152 1.00 0.00 H new ATOM 0 HH21 ARG A 159 -8.644 0.937 9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 159 -9.373 2.545 9.127 1.00 0.00 H new ATOM 1278 N VAL A 160 -4.537 1.715 1.704 1.00 0.00 N ATOM 1279 CA VAL A 160 -3.944 2.674 0.780 1.00 0.00 C ATOM 1280 C VAL A 160 -4.961 3.726 0.352 1.00 0.00 C ATOM 1281 O VAL A 160 -6.026 3.398 -0.172 1.00 0.00 O ATOM 1282 CB VAL A 160 -3.387 1.975 -0.474 1.00 0.00 C ATOM 1283 CG1 VAL A 160 -2.436 2.897 -1.222 1.00 0.00 C ATOM 1284 CG2 VAL A 160 -2.694 0.675 -0.096 1.00 0.00 C ATOM 0 H VAL A 160 -5.337 1.206 1.328 1.00 0.00 H new ATOM 0 HA VAL A 160 -3.125 3.159 1.311 1.00 0.00 H new ATOM 0 HB VAL A 160 -4.220 1.737 -1.136 1.00 0.00 H new ATOM 0 HG11 VAL A 160 -2.053 2.386 -2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 160 -2.968 3.798 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 160 -1.605 3.169 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 160 -2.307 0.195 -0.994 1.00 0.00 H new ATOM 0 HG22 VAL A 160 -1.871 0.887 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 160 -3.408 0.011 0.392 1.00 0.00 H new ATOM 1294 N ASP A 161 -4.626 4.991 0.578 1.00 0.00 N ATOM 1295 CA ASP A 161 -5.510 6.093 0.214 1.00 0.00 C ATOM 1296 C ASP A 161 -4.706 7.305 -0.245 1.00 0.00 C ATOM 1297 O ASP A 161 -3.594 7.541 0.226 1.00 0.00 O ATOM 1298 CB ASP A 161 -6.399 6.474 1.399 1.00 0.00 C ATOM 1299 CG ASP A 161 -5.783 7.559 2.260 1.00 0.00 C ATOM 1300 OD1 ASP A 161 -4.549 7.538 2.448 1.00 0.00 O ATOM 1301 OD2 ASP A 161 -6.535 8.430 2.746 1.00 0.00 O ATOM 0 H ASP A 161 -3.749 5.279 1.011 1.00 0.00 H new ATOM 0 HA ASP A 161 -6.140 5.764 -0.612 1.00 0.00 H new ATOM 0 HB2 ASP A 161 -7.367 6.813 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -6.583 5.590 2.010 1.00 0.00 H new ATOM 1306 N PHE A 162 -5.277 8.071 -1.169 1.00 0.00 N ATOM 1307 CA PHE A 162 -4.613 9.259 -1.694 1.00 0.00 C ATOM 1308 C PHE A 162 -4.387 10.288 -0.591 1.00 0.00 C ATOM 1309 O PHE A 162 -5.337 10.793 0.007 1.00 0.00 O ATOM 1310 CB PHE A 162 -5.443 9.877 -2.821 1.00 0.00 C ATOM 1311 CG PHE A 162 -5.657 8.952 -3.985 1.00 0.00 C ATOM 1312 CD1 PHE A 162 -4.577 8.433 -4.682 1.00 0.00 C ATOM 1313 CD2 PHE A 162 -6.937 8.600 -4.381 1.00 0.00 C ATOM 1314 CE1 PHE A 162 -4.771 7.582 -5.754 1.00 0.00 C ATOM 1315 CE2 PHE A 162 -7.137 7.749 -5.452 1.00 0.00 C ATOM 1316 CZ PHE A 162 -6.053 7.239 -6.138 1.00 0.00 C ATOM 0 H PHE A 162 -6.198 7.891 -1.570 1.00 0.00 H new ATOM 0 HA PHE A 162 -3.643 8.957 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 162 -6.412 10.179 -2.424 1.00 0.00 H new ATOM 0 HB3 PHE A 162 -4.947 10.782 -3.173 1.00 0.00 H new ATOM 0 HD1 PHE A 162 -3.573 8.696 -4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 162 -7.789 8.995 -3.847 1.00 0.00 H new ATOM 0 HE1 PHE A 162 -3.922 7.186 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 162 -8.140 7.484 -5.752 1.00 0.00 H new ATOM 0 HZ PHE A 162 -6.207 6.573 -6.974 1.00 0.00 H new ATOM 1326 N ALA A 163 -3.121 10.594 -0.326 1.00 0.00 N ATOM 1327 CA ALA A 163 -2.769 11.564 0.704 1.00 0.00 C ATOM 1328 C ALA A 163 -3.402 12.921 0.419 1.00 0.00 C ATOM 1329 O ALA A 163 -4.339 13.336 1.101 1.00 0.00 O ATOM 1330 CB ALA A 163 -1.256 11.696 0.809 1.00 0.00 C ATOM 0 H ALA A 163 -2.322 10.184 -0.810 1.00 0.00 H new ATOM 0 HA ALA A 163 -3.158 11.204 1.656 1.00 0.00 H new ATOM 0 HB1 ALA A 163 -1.007 12.423 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 163 -0.824 10.729 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 163 -0.853 12.030 -0.147 1.00 0.00 H new