USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 822 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 24:sc= -3.65! USER MOD Single : A 32 SER OG : rot 180:sc= -0.844 USER MOD Single : A 33 THR OG1 : rot 4:sc= 0.338 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot -150:sc= 0.0874 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= -0.0643 (180deg=-0.125) USER MOD Single : A 42 TYR OH : rot -103:sc= 0.322 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 93:sc= -0.37 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 62 TYR OH : rot 180:sc= -3.08 USER MOD Single : A 79 TYR OH : rot 30:sc= -1.35 USER MOD Single : A 84 MET CE :methyl 136:sc= -0.368 (180deg=-2.77!) USER MOD Single : A 97 ASN : amide:sc= -8.3! C(o=-8.3!,f=-9.9!) USER MOD Single : A 100 TYR OH : rot 49:sc= -1.02 USER MOD Single : A 101 ASN : amide:sc= -0.113 K(o=-0.11,f=-2.2!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 94:sc= 0.144 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.026 X(o=-0.026,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.713 -4.638 -12.370 1.00 0.00 N ATOM 91 CA LEU A 13 -1.685 -5.404 -11.598 1.00 0.00 C ATOM 92 C LEU A 13 -2.993 -4.630 -11.456 1.00 0.00 C ATOM 93 O LEU A 13 -2.989 -3.405 -11.337 1.00 0.00 O ATOM 94 CB LEU A 13 -1.122 -5.738 -10.215 1.00 0.00 C ATOM 95 CG LEU A 13 -2.041 -6.584 -9.331 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.939 -8.055 -9.709 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.699 -6.384 -7.861 1.00 0.00 C ATOM 0 HA LEU A 13 -1.887 -6.333 -12.132 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.177 -6.266 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.899 -4.806 -9.695 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.069 -6.259 -9.492 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.599 -8.641 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.233 -8.184 -10.751 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.911 -8.394 -9.577 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.362 -6.993 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.666 -6.682 -7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.824 -5.334 -7.598 1.00 0.00 H new ATOM 109 N ARG A 14 -4.109 -5.350 -11.475 1.00 0.00 N ATOM 110 CA ARG A 14 -5.420 -4.723 -11.353 1.00 0.00 C ATOM 111 C ARG A 14 -5.656 -4.205 -9.939 1.00 0.00 C ATOM 112 O ARG A 14 -5.987 -4.967 -9.031 1.00 0.00 O ATOM 113 CB ARG A 14 -6.525 -5.708 -11.736 1.00 0.00 C ATOM 114 CG ARG A 14 -6.364 -7.084 -11.108 1.00 0.00 C ATOM 115 CD ARG A 14 -5.908 -8.121 -12.124 1.00 0.00 C ATOM 116 NE ARG A 14 -6.727 -8.104 -13.336 1.00 0.00 N ATOM 117 CZ ARG A 14 -6.337 -7.576 -14.497 1.00 0.00 C ATOM 118 NH1 ARG A 14 -5.148 -6.995 -14.611 1.00 0.00 N ATOM 119 NH2 ARG A 14 -7.145 -7.624 -15.548 1.00 0.00 N ATOM 0 H ARG A 14 -4.133 -6.365 -11.573 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.445 -3.875 -12.038 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.488 -5.293 -11.438 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.545 -5.814 -12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.640 -7.030 -10.295 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.312 -7.397 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.867 -7.935 -12.388 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -5.950 -9.112 -11.673 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.656 -8.523 -13.290 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.523 -6.950 -13.806 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.860 -6.594 -15.504 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.062 -8.064 -15.467 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -6.850 -7.221 -16.437 1.00 0.00 H new ATOM 133 N ILE A 15 -5.483 -2.901 -9.762 1.00 0.00 N ATOM 134 CA ILE A 15 -5.675 -2.266 -8.468 1.00 0.00 C ATOM 135 C ILE A 15 -6.404 -0.935 -8.623 1.00 0.00 C ATOM 136 O ILE A 15 -6.044 -0.115 -9.467 1.00 0.00 O ATOM 137 CB ILE A 15 -4.327 -2.018 -7.770 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.484 -3.295 -7.768 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.546 -1.517 -6.350 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.114 -3.114 -7.153 1.00 0.00 C ATOM 0 H ILE A 15 -5.208 -2.260 -10.506 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.276 -2.942 -7.859 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.786 -1.250 -8.324 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.018 -4.073 -7.222 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.369 -3.647 -8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.582 -1.347 -5.871 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.108 -0.583 -6.376 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.106 -2.261 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.573 -4.060 -7.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.561 -2.360 -7.712 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.220 -2.792 -6.117 1.00 0.00 H new ATOM 152 N LYS A 16 -7.431 -0.725 -7.806 1.00 0.00 N ATOM 153 CA LYS A 16 -8.205 0.510 -7.860 1.00 0.00 C ATOM 154 C LYS A 16 -8.706 0.896 -6.474 1.00 0.00 C ATOM 155 O LYS A 16 -9.130 0.044 -5.696 1.00 0.00 O ATOM 156 CB LYS A 16 -9.388 0.355 -8.818 1.00 0.00 C ATOM 157 CG LYS A 16 -10.119 -0.970 -8.674 1.00 0.00 C ATOM 158 CD LYS A 16 -11.627 -0.775 -8.630 1.00 0.00 C ATOM 159 CE LYS A 16 -12.253 -0.976 -10.001 1.00 0.00 C ATOM 160 NZ LYS A 16 -13.627 -1.540 -9.906 1.00 0.00 N ATOM 0 H LYS A 16 -7.746 -1.391 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.553 1.303 -8.226 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.092 1.169 -8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.030 0.453 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.860 -1.622 -9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.790 -1.471 -7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.066 -1.478 -7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.855 0.227 -8.268 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.288 -0.022 -10.528 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.626 -1.644 -10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.019 -1.662 -10.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.591 -2.462 -9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.232 -0.891 -9.364 1.00 0.00 H new ATOM 174 N VAL A 17 -8.652 2.189 -6.170 1.00 0.00 N ATOM 175 CA VAL A 17 -9.099 2.687 -4.875 1.00 0.00 C ATOM 176 C VAL A 17 -10.210 3.719 -5.038 1.00 0.00 C ATOM 177 O VAL A 17 -9.992 4.799 -5.586 1.00 0.00 O ATOM 178 CB VAL A 17 -7.943 3.321 -4.073 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.228 3.241 -2.582 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.618 2.646 -4.403 1.00 0.00 C ATOM 0 H VAL A 17 -8.304 2.910 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.477 1.825 -4.325 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.866 4.371 -4.356 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.404 3.692 -2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.151 3.776 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.334 2.197 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.819 3.111 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.677 1.587 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.408 2.757 -5.467 1.00 0.00 H new ATOM 190 N ASP A 18 -11.401 3.378 -4.557 1.00 0.00 N ATOM 191 CA ASP A 18 -12.546 4.275 -4.649 1.00 0.00 C ATOM 192 C ASP A 18 -13.375 4.233 -3.369 1.00 0.00 C ATOM 193 O ASP A 18 -14.584 4.464 -3.393 1.00 0.00 O ATOM 194 CB ASP A 18 -13.419 3.901 -5.848 1.00 0.00 C ATOM 195 CG ASP A 18 -13.931 2.475 -5.768 1.00 0.00 C ATOM 196 OD1 ASP A 18 -14.964 2.253 -5.102 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.300 1.583 -6.372 1.00 0.00 O ATOM 0 H ASP A 18 -11.598 2.488 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.171 5.289 -4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.265 4.585 -5.905 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.845 4.027 -6.766 1.00 0.00 H new ATOM 202 N ASP A 19 -12.717 3.937 -2.252 1.00 0.00 N ATOM 203 CA ASP A 19 -13.394 3.865 -0.963 1.00 0.00 C ATOM 204 C ASP A 19 -12.581 4.574 0.116 1.00 0.00 C ATOM 205 O ASP A 19 -11.367 4.392 0.211 1.00 0.00 O ATOM 206 CB ASP A 19 -13.630 2.406 -0.568 1.00 0.00 C ATOM 207 CG ASP A 19 -15.060 1.965 -0.814 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.515 2.045 -1.974 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.724 1.539 0.154 1.00 0.00 O ATOM 0 H ASP A 19 -11.716 3.743 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.357 4.367 -1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.953 1.765 -1.133 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.388 2.274 0.487 1.00 0.00 H new ATOM 214 N VAL A 20 -13.256 5.382 0.926 1.00 0.00 N ATOM 215 CA VAL A 20 -12.594 6.116 1.997 1.00 0.00 C ATOM 216 C VAL A 20 -13.537 6.347 3.172 1.00 0.00 C ATOM 217 O VAL A 20 -14.491 7.120 3.073 1.00 0.00 O ATOM 218 CB VAL A 20 -12.067 7.477 1.503 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.208 8.136 2.571 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.285 7.308 0.210 1.00 0.00 C ATOM 0 H VAL A 20 -14.261 5.545 0.861 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.753 5.505 2.324 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.920 8.126 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.845 9.096 2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.803 8.293 3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.360 7.492 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.920 8.279 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.439 6.642 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.934 6.881 -0.555 1.00 0.00 H new ATOM 230 N LYS A 21 -13.265 5.671 4.283 1.00 0.00 N ATOM 231 CA LYS A 21 -14.089 5.804 5.479 1.00 0.00 C ATOM 232 C LYS A 21 -13.465 6.792 6.459 1.00 0.00 C ATOM 233 O LYS A 21 -12.520 6.460 7.175 1.00 0.00 O ATOM 234 CB LYS A 21 -14.274 4.441 6.151 1.00 0.00 C ATOM 235 CG LYS A 21 -15.636 3.817 5.895 1.00 0.00 C ATOM 236 CD LYS A 21 -16.239 3.247 7.169 1.00 0.00 C ATOM 237 CE LYS A 21 -17.075 2.007 6.888 1.00 0.00 C ATOM 238 NZ LYS A 21 -18.503 2.206 7.257 1.00 0.00 N ATOM 0 H LYS A 21 -12.481 5.026 4.380 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.065 6.186 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.500 3.762 5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.131 4.553 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.308 4.567 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.540 3.026 5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.442 2.998 7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.860 4.004 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.005 1.754 5.830 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.670 1.162 7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -19.039 1.339 7.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.572 2.422 8.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.897 2.996 6.707 1.00 0.00 H new ATOM 252 N ILE A 22 -14.000 8.008 6.486 1.00 0.00 N ATOM 253 CA ILE A 22 -13.496 9.045 7.377 1.00 0.00 C ATOM 254 C ILE A 22 -13.901 8.771 8.821 1.00 0.00 C ATOM 255 O ILE A 22 -15.013 9.095 9.235 1.00 0.00 O ATOM 256 CB ILE A 22 -14.012 10.438 6.967 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.859 10.643 5.457 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.267 11.520 7.730 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.438 10.475 4.964 1.00 0.00 C ATOM 0 H ILE A 22 -14.783 8.299 5.901 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.409 9.031 7.297 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.071 10.504 7.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.502 9.934 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.209 11.642 5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.641 12.499 7.431 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.423 11.383 8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.202 11.455 7.507 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.406 10.634 3.886 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.793 11.202 5.458 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.090 9.467 5.192 1.00 0.00 H new ATOM 271 N ASN A 23 -12.991 8.173 9.583 1.00 0.00 N ATOM 272 CA ASN A 23 -13.255 7.858 10.981 1.00 0.00 C ATOM 273 C ASN A 23 -12.737 8.968 11.894 1.00 0.00 C ATOM 274 O ASN A 23 -11.680 9.544 11.642 1.00 0.00 O ATOM 275 CB ASN A 23 -12.606 6.522 11.356 1.00 0.00 C ATOM 276 CG ASN A 23 -13.610 5.521 11.894 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.818 5.680 11.716 1.00 0.00 O ATOM 278 ND2 ASN A 23 -13.114 4.483 12.557 1.00 0.00 N ATOM 0 H ASN A 23 -12.065 7.897 9.256 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.334 7.777 11.115 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.113 6.102 10.479 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.833 6.695 12.104 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.741 3.777 12.943 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.106 4.391 12.681 1.00 0.00 H new ATOM 285 N PRO A 24 -13.479 9.286 12.971 1.00 0.00 N ATOM 286 CA PRO A 24 -13.086 10.336 13.917 1.00 0.00 C ATOM 287 C PRO A 24 -11.677 10.132 14.465 1.00 0.00 C ATOM 288 O PRO A 24 -11.038 11.079 14.925 1.00 0.00 O ATOM 289 CB PRO A 24 -14.117 10.209 15.042 1.00 0.00 C ATOM 290 CG PRO A 24 -15.300 9.570 14.406 1.00 0.00 C ATOM 291 CD PRO A 24 -14.756 8.652 13.347 1.00 0.00 C ATOM 0 HA PRO A 24 -13.067 11.318 13.444 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.734 9.603 15.863 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.370 11.184 15.458 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -15.885 9.016 15.140 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.961 10.319 13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.607 7.642 13.728 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.432 8.574 12.496 1.00 0.00 H new ATOM 299 N LYS A 25 -11.199 8.893 14.422 1.00 0.00 N ATOM 300 CA LYS A 25 -9.867 8.572 14.922 1.00 0.00 C ATOM 301 C LYS A 25 -8.838 8.564 13.794 1.00 0.00 C ATOM 302 O LYS A 25 -7.695 8.980 13.984 1.00 0.00 O ATOM 303 CB LYS A 25 -9.878 7.214 15.627 1.00 0.00 C ATOM 304 CG LYS A 25 -10.552 7.245 16.991 1.00 0.00 C ATOM 305 CD LYS A 25 -11.724 6.275 17.063 1.00 0.00 C ATOM 306 CE LYS A 25 -11.454 5.144 18.043 1.00 0.00 C ATOM 307 NZ LYS A 25 -12.712 4.485 18.493 1.00 0.00 N ATOM 0 H LYS A 25 -11.713 8.096 14.047 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.584 9.345 15.636 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.389 6.489 14.994 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.852 6.866 15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.824 6.994 17.762 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.903 8.256 17.201 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.623 6.812 17.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.916 5.861 16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.805 4.405 17.574 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.919 5.534 18.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.484 3.720 19.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.321 5.184 18.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.210 4.090 17.670 1.00 0.00 H new ATOM 321 N TYR A 26 -9.246 8.084 12.623 1.00 0.00 N ATOM 322 CA TYR A 26 -8.349 8.021 11.473 1.00 0.00 C ATOM 323 C TYR A 26 -9.126 7.804 10.179 1.00 0.00 C ATOM 324 O TYR A 26 -10.279 7.372 10.198 1.00 0.00 O ATOM 325 CB TYR A 26 -7.328 6.897 11.661 1.00 0.00 C ATOM 326 CG TYR A 26 -7.938 5.602 12.151 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.130 5.373 13.507 1.00 0.00 C ATOM 328 CD2 TYR A 26 -8.320 4.610 11.257 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.686 4.192 13.959 1.00 0.00 C ATOM 330 CE2 TYR A 26 -8.879 3.426 11.701 1.00 0.00 C ATOM 331 CZ TYR A 26 -9.059 3.222 13.053 1.00 0.00 C ATOM 332 OH TYR A 26 -9.613 2.044 13.500 1.00 0.00 O ATOM 0 H TYR A 26 -10.188 7.734 12.445 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.826 8.975 11.402 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.822 6.715 10.713 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.568 7.223 12.371 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.840 6.131 14.220 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.178 4.766 10.198 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -8.828 4.029 15.017 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.173 2.665 10.993 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.820 1.469 12.734 1.00 0.00 H new ATOM 342 N VAL A 27 -8.484 8.104 9.054 1.00 0.00 N ATOM 343 CA VAL A 27 -9.110 7.941 7.747 1.00 0.00 C ATOM 344 C VAL A 27 -8.557 6.715 7.025 1.00 0.00 C ATOM 345 O VAL A 27 -7.374 6.662 6.689 1.00 0.00 O ATOM 346 CB VAL A 27 -8.894 9.185 6.863 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.687 9.071 5.569 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.270 10.451 7.620 1.00 0.00 C ATOM 0 H VAL A 27 -7.529 8.462 9.022 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.178 7.808 7.919 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.836 9.244 6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.520 9.960 4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.361 8.188 5.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.749 8.984 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.111 11.319 6.980 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.319 10.403 7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.650 10.539 8.512 1.00 0.00 H new ATOM 358 N LEU A 28 -9.420 5.731 6.792 1.00 0.00 N ATOM 359 CA LEU A 28 -9.016 4.505 6.113 1.00 0.00 C ATOM 360 C LEU A 28 -9.237 4.611 4.607 1.00 0.00 C ATOM 361 O LEU A 28 -10.020 5.439 4.141 1.00 0.00 O ATOM 362 CB LEU A 28 -9.790 3.308 6.670 1.00 0.00 C ATOM 363 CG LEU A 28 -9.559 3.020 8.156 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.229 1.716 8.557 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.070 2.973 8.464 1.00 0.00 C ATOM 0 H LEU A 28 -10.403 5.759 7.063 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.951 4.358 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.855 3.477 6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.518 2.421 6.097 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.005 3.827 8.737 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.054 1.528 9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.301 1.786 8.373 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.813 0.898 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.924 2.767 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.601 2.186 7.874 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.616 3.932 8.215 1.00 0.00 H new ATOM 377 N TYR A 29 -8.541 3.767 3.853 1.00 0.00 N ATOM 378 CA TYR A 29 -8.659 3.762 2.399 1.00 0.00 C ATOM 379 C TYR A 29 -9.007 2.371 1.885 1.00 0.00 C ATOM 380 O TYR A 29 -8.296 1.403 2.155 1.00 0.00 O ATOM 381 CB TYR A 29 -7.353 4.239 1.761 1.00 0.00 C ATOM 382 CG TYR A 29 -7.203 5.743 1.745 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.678 6.419 2.839 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.585 6.487 0.636 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.540 7.794 2.829 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.449 7.861 0.618 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.926 8.510 1.717 1.00 0.00 C ATOM 388 OH TYR A 29 -6.789 9.879 1.704 1.00 0.00 O ATOM 0 H TYR A 29 -7.889 3.077 4.225 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.464 4.443 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.513 3.804 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.300 3.866 0.738 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.373 5.861 3.712 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.995 5.983 -0.226 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.132 8.305 3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.751 8.425 -0.252 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.091 10.144 2.339 1.00 0.00 H new ATOM 398 N GLY A 30 -10.104 2.276 1.142 1.00 0.00 N ATOM 399 CA GLY A 30 -10.526 0.998 0.601 1.00 0.00 C ATOM 400 C GLY A 30 -9.857 0.679 -0.721 1.00 0.00 C ATOM 401 O GLY A 30 -10.303 1.134 -1.774 1.00 0.00 O ATOM 0 H GLY A 30 -10.709 3.062 0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.299 0.210 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.608 1.004 0.465 1.00 0.00 H new ATOM 405 N VAL A 31 -8.786 -0.106 -0.666 1.00 0.00 N ATOM 406 CA VAL A 31 -8.054 -0.484 -1.868 1.00 0.00 C ATOM 407 C VAL A 31 -8.651 -1.734 -2.504 1.00 0.00 C ATOM 408 O VAL A 31 -8.592 -2.822 -1.933 1.00 0.00 O ATOM 409 CB VAL A 31 -6.566 -0.737 -1.563 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.782 -0.932 -2.853 1.00 0.00 C ATOM 411 CG2 VAL A 31 -5.986 0.407 -0.746 1.00 0.00 C ATOM 0 H VAL A 31 -8.406 -0.492 0.198 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.137 0.350 -2.565 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.485 -1.651 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.733 -1.110 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.182 -1.788 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.869 -0.038 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.934 0.210 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.078 1.338 -1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.529 0.494 0.195 1.00 0.00 H new ATOM 421 N SER A 32 -9.227 -1.566 -3.688 1.00 0.00 N ATOM 422 CA SER A 32 -9.840 -2.679 -4.405 1.00 0.00 C ATOM 423 C SER A 32 -8.799 -3.447 -5.216 1.00 0.00 C ATOM 424 O SER A 32 -8.010 -2.854 -5.952 1.00 0.00 O ATOM 425 CB SER A 32 -10.953 -2.171 -5.325 1.00 0.00 C ATOM 426 OG SER A 32 -12.211 -2.702 -4.945 1.00 0.00 O ATOM 0 H SER A 32 -9.283 -0.670 -4.173 1.00 0.00 H new ATOM 0 HA SER A 32 -10.270 -3.358 -3.669 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.989 -1.082 -5.291 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.733 -2.450 -6.355 1.00 0.00 H new ATOM 0 HG SER A 32 -12.905 -2.361 -5.547 1.00 0.00 H new ATOM 432 N THR A 33 -8.803 -4.768 -5.071 1.00 0.00 N ATOM 433 CA THR A 33 -7.858 -5.619 -5.785 1.00 0.00 C ATOM 434 C THR A 33 -8.464 -6.995 -6.054 1.00 0.00 C ATOM 435 O THR A 33 -9.458 -7.372 -5.435 1.00 0.00 O ATOM 436 CB THR A 33 -6.571 -5.761 -4.973 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.865 -6.026 -3.612 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.698 -4.527 -5.021 1.00 0.00 C ATOM 0 H THR A 33 -9.450 -5.273 -4.465 1.00 0.00 H new ATOM 0 HA THR A 33 -7.628 -5.154 -6.743 1.00 0.00 H new ATOM 0 HB THR A 33 -6.029 -6.590 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.833 -6.127 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.801 -4.693 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.415 -4.321 -6.053 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.248 -3.676 -4.619 1.00 0.00 H new ATOM 446 N PRO A 34 -7.872 -7.768 -6.984 1.00 0.00 N ATOM 447 CA PRO A 34 -8.356 -9.106 -7.328 1.00 0.00 C ATOM 448 C PRO A 34 -8.667 -9.944 -6.090 1.00 0.00 C ATOM 449 O PRO A 34 -9.526 -10.824 -6.124 1.00 0.00 O ATOM 450 CB PRO A 34 -7.196 -9.728 -8.125 1.00 0.00 C ATOM 451 CG PRO A 34 -6.066 -8.750 -8.037 1.00 0.00 C ATOM 452 CD PRO A 34 -6.689 -7.411 -7.772 1.00 0.00 C ATOM 0 HA PRO A 34 -9.290 -9.065 -7.888 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.910 -10.694 -7.709 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.483 -9.901 -9.162 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.376 -9.023 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.491 -8.735 -8.963 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.018 -6.752 -7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.955 -6.896 -8.695 1.00 0.00 H new ATOM 460 N ASN A 35 -7.965 -9.658 -4.999 1.00 0.00 N ATOM 461 CA ASN A 35 -8.170 -10.378 -3.748 1.00 0.00 C ATOM 462 C ASN A 35 -9.423 -9.878 -3.038 1.00 0.00 C ATOM 463 O ASN A 35 -10.118 -10.653 -2.385 1.00 0.00 O ATOM 464 CB ASN A 35 -6.952 -10.218 -2.836 1.00 0.00 C ATOM 465 CG ASN A 35 -6.537 -11.525 -2.189 1.00 0.00 C ATOM 466 OD1 ASN A 35 -7.283 -12.102 -1.397 1.00 0.00 O ATOM 467 ND2 ASN A 35 -5.343 -12.000 -2.524 1.00 0.00 N ATOM 0 H ASN A 35 -7.249 -8.933 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.301 -11.435 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.118 -9.822 -3.415 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.177 -9.487 -2.059 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.011 -12.876 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.758 -11.489 -3.185 1.00 0.00 H new ATOM 474 N LYS A 36 -9.692 -8.574 -3.192 1.00 0.00 N ATOM 475 CA LYS A 36 -10.854 -7.896 -2.598 1.00 0.00 C ATOM 476 C LYS A 36 -10.461 -6.520 -2.072 1.00 0.00 C ATOM 477 O LYS A 36 -9.298 -6.123 -2.152 1.00 0.00 O ATOM 478 CB LYS A 36 -11.490 -8.709 -1.469 1.00 0.00 C ATOM 479 CG LYS A 36 -12.469 -9.752 -1.974 1.00 0.00 C ATOM 480 CD LYS A 36 -13.906 -9.261 -1.890 1.00 0.00 C ATOM 481 CE LYS A 36 -14.706 -9.674 -3.114 1.00 0.00 C ATOM 482 NZ LYS A 36 -16.080 -9.100 -3.100 1.00 0.00 N ATOM 0 H LYS A 36 -9.100 -7.951 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.593 -7.791 -3.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.705 -9.202 -0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.006 -8.033 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -12.231 -10.005 -3.007 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -12.362 -10.665 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.377 -9.663 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.916 -8.175 -1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.186 -9.348 -4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.767 -10.761 -3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -16.593 -9.406 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -16.586 -9.431 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -16.022 -8.062 -3.085 1.00 0.00 H new ATOM 496 N ARG A 37 -11.439 -5.796 -1.537 1.00 0.00 N ATOM 497 CA ARG A 37 -11.196 -4.464 -0.999 1.00 0.00 C ATOM 498 C ARG A 37 -10.620 -4.543 0.411 1.00 0.00 C ATOM 499 O ARG A 37 -11.120 -5.288 1.255 1.00 0.00 O ATOM 500 CB ARG A 37 -12.492 -3.649 -0.993 1.00 0.00 C ATOM 501 CG ARG A 37 -12.401 -2.357 -1.791 1.00 0.00 C ATOM 502 CD ARG A 37 -13.126 -1.215 -1.095 1.00 0.00 C ATOM 503 NE ARG A 37 -14.128 -0.595 -1.959 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.334 -1.112 -2.183 1.00 0.00 C ATOM 505 NH1 ARG A 37 -15.691 -2.256 -1.611 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.186 -0.484 -2.981 1.00 0.00 N ATOM 0 H ARG A 37 -12.407 -6.110 -1.465 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.468 -3.967 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.298 -4.261 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.758 -3.412 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.354 -2.090 -1.934 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.829 -2.510 -2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.608 -1.589 -0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.402 -0.463 -0.782 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.890 0.285 -2.417 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.040 -2.744 -0.996 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.617 -2.647 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.917 0.395 -3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.110 -0.880 -3.153 1.00 0.00 H new ATOM 520 N LEU A 38 -9.566 -3.774 0.659 1.00 0.00 N ATOM 521 CA LEU A 38 -8.920 -3.760 1.966 1.00 0.00 C ATOM 522 C LEU A 38 -8.800 -2.336 2.500 1.00 0.00 C ATOM 523 O LEU A 38 -8.551 -1.398 1.743 1.00 0.00 O ATOM 524 CB LEU A 38 -7.537 -4.409 1.877 1.00 0.00 C ATOM 525 CG LEU A 38 -7.370 -5.687 2.700 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.479 -6.684 1.972 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.803 -5.361 4.073 1.00 0.00 C ATOM 0 H LEU A 38 -9.141 -3.152 -0.028 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.538 -4.332 2.658 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.326 -4.637 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.790 -3.685 2.203 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.351 -6.144 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.374 -7.586 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.928 -6.940 1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.497 -6.241 1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.690 -6.280 4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.831 -4.881 3.961 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.482 -4.687 4.596 1.00 0.00 H new ATOM 539 N TYR A 39 -8.978 -2.182 3.807 1.00 0.00 N ATOM 540 CA TYR A 39 -8.889 -0.873 4.443 1.00 0.00 C ATOM 541 C TYR A 39 -7.628 -0.764 5.294 1.00 0.00 C ATOM 542 O TYR A 39 -7.460 -1.496 6.270 1.00 0.00 O ATOM 543 CB TYR A 39 -10.125 -0.618 5.309 1.00 0.00 C ATOM 544 CG TYR A 39 -11.421 -0.610 4.530 1.00 0.00 C ATOM 545 CD1 TYR A 39 -12.111 -1.790 4.280 1.00 0.00 C ATOM 546 CD2 TYR A 39 -11.953 0.578 4.043 1.00 0.00 C ATOM 547 CE1 TYR A 39 -13.295 -1.786 3.569 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.138 0.589 3.331 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.805 -0.595 3.097 1.00 0.00 C ATOM 550 OH TYR A 39 -14.984 -0.589 2.388 1.00 0.00 O ATOM 0 H TYR A 39 -9.185 -2.948 4.448 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.841 -0.119 3.657 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.181 -1.384 6.082 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.011 0.340 5.817 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.715 -2.725 4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.433 1.507 4.224 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.819 -2.712 3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.539 1.520 2.960 1.00 0.00 H new ATOM 0 HH TYR A 39 -14.976 0.152 1.747 1.00 0.00 H new ATOM 560 N LYS A 40 -6.745 0.156 4.920 1.00 0.00 N ATOM 561 CA LYS A 40 -5.499 0.362 5.650 1.00 0.00 C ATOM 562 C LYS A 40 -5.267 1.845 5.921 1.00 0.00 C ATOM 563 O LYS A 40 -6.023 2.697 5.455 1.00 0.00 O ATOM 564 CB LYS A 40 -4.321 -0.215 4.863 1.00 0.00 C ATOM 565 CG LYS A 40 -4.237 0.291 3.433 1.00 0.00 C ATOM 566 CD LYS A 40 -3.321 1.498 3.323 1.00 0.00 C ATOM 567 CE LYS A 40 -3.839 2.504 2.306 1.00 0.00 C ATOM 568 NZ LYS A 40 -3.908 3.880 2.870 1.00 0.00 N ATOM 0 H LYS A 40 -6.869 0.771 4.116 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.577 -0.156 6.606 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.394 0.030 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.401 -1.302 4.851 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.871 -0.505 2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.234 0.556 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.232 1.978 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.321 1.172 3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.189 2.503 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.830 2.200 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.463 4.488 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.362 3.850 3.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.947 4.265 2.965 1.00 0.00 H new ATOM 582 N ARG A 41 -4.219 2.146 6.680 1.00 0.00 N ATOM 583 CA ARG A 41 -3.890 3.527 7.014 1.00 0.00 C ATOM 584 C ARG A 41 -2.728 4.035 6.165 1.00 0.00 C ATOM 585 O ARG A 41 -1.855 3.264 5.765 1.00 0.00 O ATOM 586 CB ARG A 41 -3.540 3.645 8.499 1.00 0.00 C ATOM 587 CG ARG A 41 -4.607 3.078 9.421 1.00 0.00 C ATOM 588 CD ARG A 41 -4.254 1.675 9.886 1.00 0.00 C ATOM 589 NE ARG A 41 -3.005 1.647 10.643 1.00 0.00 N ATOM 590 CZ ARG A 41 -2.648 0.649 11.450 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.443 -0.401 11.608 1.00 0.00 N ATOM 592 NH2 ARG A 41 -1.493 0.704 12.101 1.00 0.00 N ATOM 0 H ARG A 41 -3.583 1.453 7.075 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.765 4.142 6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.599 3.128 8.684 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.380 4.695 8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.725 3.730 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.565 3.060 8.902 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.062 1.284 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.168 1.017 9.021 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.369 2.438 10.548 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.332 -0.447 11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.165 -1.163 12.227 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.879 1.510 11.983 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.219 -0.060 12.719 1.00 0.00 H new ATOM 606 N TYR A 42 -2.724 5.336 5.897 1.00 0.00 N ATOM 607 CA TYR A 42 -1.670 5.950 5.097 1.00 0.00 C ATOM 608 C TYR A 42 -0.303 5.726 5.736 1.00 0.00 C ATOM 609 O TYR A 42 0.654 5.345 5.063 1.00 0.00 O ATOM 610 CB TYR A 42 -1.930 7.448 4.934 1.00 0.00 C ATOM 611 CG TYR A 42 -0.981 8.129 3.974 1.00 0.00 C ATOM 612 CD1 TYR A 42 -1.234 8.141 2.608 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.168 8.761 4.434 1.00 0.00 C ATOM 614 CE1 TYR A 42 -0.368 8.762 1.728 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.038 9.384 3.560 1.00 0.00 C ATOM 616 CZ TYR A 42 0.766 9.383 2.208 1.00 0.00 C ATOM 617 OH TYR A 42 1.629 10.002 1.334 1.00 0.00 O ATOM 0 H TYR A 42 -3.439 5.987 6.222 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.674 5.479 4.114 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.952 7.594 4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.854 7.929 5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.122 7.657 2.228 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.384 8.765 5.492 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.578 8.761 0.669 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.927 9.870 3.934 1.00 0.00 H new ATOM 0 HH TYR A 42 2.416 9.435 1.195 1.00 0.00 H new ATOM 627 N SER A 43 -0.220 5.963 7.042 1.00 0.00 N ATOM 628 CA SER A 43 1.028 5.783 7.774 1.00 0.00 C ATOM 629 C SER A 43 1.523 4.346 7.655 1.00 0.00 C ATOM 630 O SER A 43 2.728 4.090 7.671 1.00 0.00 O ATOM 631 CB SER A 43 0.838 6.150 9.247 1.00 0.00 C ATOM 632 OG SER A 43 1.007 7.542 9.453 1.00 0.00 O ATOM 0 H SER A 43 -1.003 6.280 7.614 1.00 0.00 H new ATOM 0 HA SER A 43 1.776 6.444 7.337 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.157 5.849 9.574 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.554 5.600 9.857 1.00 0.00 H new ATOM 0 HG SER A 43 0.879 7.750 10.402 1.00 0.00 H new ATOM 638 N GLU A 44 0.587 3.411 7.536 1.00 0.00 N ATOM 639 CA GLU A 44 0.928 2.000 7.413 1.00 0.00 C ATOM 640 C GLU A 44 1.731 1.746 6.141 1.00 0.00 C ATOM 641 O GLU A 44 2.698 0.985 6.148 1.00 0.00 O ATOM 642 CB GLU A 44 -0.343 1.146 7.412 1.00 0.00 C ATOM 643 CG GLU A 44 -0.482 0.262 8.642 1.00 0.00 C ATOM 644 CD GLU A 44 -1.161 -1.059 8.336 1.00 0.00 C ATOM 645 OE1 GLU A 44 -1.924 -1.119 7.349 1.00 0.00 O ATOM 646 OE2 GLU A 44 -0.929 -2.033 9.083 1.00 0.00 O ATOM 0 H GLU A 44 -0.414 3.606 7.522 1.00 0.00 H new ATOM 0 HA GLU A 44 1.542 1.721 8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.211 1.801 7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.349 0.518 6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.506 0.070 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.054 0.792 9.404 1.00 0.00 H new ATOM 653 N PHE A 45 1.323 2.389 5.051 1.00 0.00 N ATOM 654 CA PHE A 45 2.008 2.233 3.773 1.00 0.00 C ATOM 655 C PHE A 45 3.471 2.649 3.887 1.00 0.00 C ATOM 656 O PHE A 45 4.371 1.880 3.551 1.00 0.00 O ATOM 657 CB PHE A 45 1.307 3.057 2.690 1.00 0.00 C ATOM 658 CG PHE A 45 0.743 2.224 1.574 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.585 1.581 0.680 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.626 2.083 1.420 1.00 0.00 C ATOM 661 CE1 PHE A 45 1.069 0.812 -0.348 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.147 1.316 0.395 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.298 0.680 -0.491 1.00 0.00 C ATOM 0 H PHE A 45 0.523 3.022 5.027 1.00 0.00 H new ATOM 0 HA PHE A 45 1.972 1.180 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.501 3.632 3.147 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.015 3.774 2.275 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.655 1.681 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.294 2.578 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.735 0.315 -1.038 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.217 1.214 0.286 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.703 0.081 -1.293 1.00 0.00 H new ATOM 673 N TRP A 46 3.703 3.867 4.369 1.00 0.00 N ATOM 674 CA TRP A 46 5.060 4.374 4.531 1.00 0.00 C ATOM 675 C TRP A 46 5.868 3.455 5.442 1.00 0.00 C ATOM 676 O TRP A 46 7.056 3.226 5.214 1.00 0.00 O ATOM 677 CB TRP A 46 5.034 5.797 5.101 1.00 0.00 C ATOM 678 CG TRP A 46 6.378 6.285 5.556 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.908 6.171 6.810 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.362 6.959 4.764 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.161 6.733 6.845 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.462 7.224 5.601 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.420 7.363 3.426 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.606 7.874 5.145 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.557 8.008 2.976 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.636 8.258 3.833 1.00 0.00 C ATOM 0 H TRP A 46 2.971 4.518 4.653 1.00 0.00 H new ATOM 0 HA TRP A 46 5.538 4.399 3.552 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.648 6.477 4.342 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.341 5.830 5.941 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.414 5.707 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.768 6.778 7.663 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.593 7.175 2.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.440 8.068 5.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.614 8.325 1.945 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.510 8.764 3.450 1.00 0.00 H new ATOM 697 N LYS A 47 5.213 2.931 6.473 1.00 0.00 N ATOM 698 CA LYS A 47 5.867 2.035 7.417 1.00 0.00 C ATOM 699 C LYS A 47 6.391 0.792 6.704 1.00 0.00 C ATOM 700 O LYS A 47 7.503 0.336 6.970 1.00 0.00 O ATOM 701 CB LYS A 47 4.894 1.633 8.528 1.00 0.00 C ATOM 702 CG LYS A 47 5.424 1.906 9.926 1.00 0.00 C ATOM 703 CD LYS A 47 6.181 0.710 10.479 1.00 0.00 C ATOM 704 CE LYS A 47 6.966 1.073 11.729 1.00 0.00 C ATOM 705 NZ LYS A 47 6.756 0.086 12.823 1.00 0.00 N ATOM 0 H LYS A 47 4.230 3.112 6.675 1.00 0.00 H new ATOM 0 HA LYS A 47 6.712 2.562 7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.957 2.172 8.392 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.667 0.571 8.435 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.081 2.775 9.904 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.594 2.151 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.478 -0.091 10.710 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.862 0.327 9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.028 1.127 11.488 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.666 2.063 12.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.308 0.370 13.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.747 0.052 13.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.066 -0.855 12.506 1.00 0.00 H new ATOM 719 N LEU A 48 5.583 0.253 5.796 1.00 0.00 N ATOM 720 CA LEU A 48 5.963 -0.935 5.042 1.00 0.00 C ATOM 721 C LEU A 48 7.129 -0.634 4.104 1.00 0.00 C ATOM 722 O LEU A 48 7.982 -1.487 3.863 1.00 0.00 O ATOM 723 CB LEU A 48 4.767 -1.455 4.239 1.00 0.00 C ATOM 724 CG LEU A 48 5.075 -2.613 3.288 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.339 -3.890 4.069 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.930 -2.814 2.306 1.00 0.00 C ATOM 0 H LEU A 48 4.660 0.621 5.565 1.00 0.00 H new ATOM 0 HA LEU A 48 6.279 -1.701 5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.993 -1.775 4.937 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.353 -0.630 3.659 1.00 0.00 H new ATOM 0 HG LEU A 48 5.974 -2.365 2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.556 -4.702 3.375 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.191 -3.741 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.459 -4.143 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.166 -3.642 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.016 -3.040 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.788 -1.905 1.722 1.00 0.00 H new ATOM 738 N LYS A 49 7.154 0.584 3.575 1.00 0.00 N ATOM 739 CA LYS A 49 8.209 1.004 2.660 1.00 0.00 C ATOM 740 C LYS A 49 9.592 0.809 3.278 1.00 0.00 C ATOM 741 O LYS A 49 10.338 -0.089 2.885 1.00 0.00 O ATOM 742 CB LYS A 49 8.015 2.470 2.268 1.00 0.00 C ATOM 743 CG LYS A 49 8.136 2.722 0.775 1.00 0.00 C ATOM 744 CD LYS A 49 9.560 3.081 0.384 1.00 0.00 C ATOM 745 CE LYS A 49 9.925 4.486 0.832 1.00 0.00 C ATOM 746 NZ LYS A 49 11.380 4.759 0.671 1.00 0.00 N ATOM 0 H LYS A 49 6.453 1.300 3.765 1.00 0.00 H new ATOM 0 HA LYS A 49 8.145 0.380 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.033 2.800 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.753 3.078 2.791 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.821 1.833 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.464 3.530 0.486 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.252 2.365 0.829 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.672 3.003 -0.697 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.353 5.212 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.644 4.619 1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.589 5.727 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.925 4.083 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.644 4.658 -0.330 1.00 0.00 H new ATOM 760 N THR A 50 9.929 1.660 4.242 1.00 0.00 N ATOM 761 CA THR A 50 11.225 1.589 4.911 1.00 0.00 C ATOM 762 C THR A 50 11.476 0.205 5.500 1.00 0.00 C ATOM 763 O THR A 50 12.624 -0.212 5.655 1.00 0.00 O ATOM 764 CB THR A 50 11.313 2.650 6.011 1.00 0.00 C ATOM 765 OG1 THR A 50 12.481 2.466 6.792 1.00 0.00 O ATOM 766 CG2 THR A 50 10.126 2.641 6.953 1.00 0.00 C ATOM 0 H THR A 50 9.322 2.408 4.578 1.00 0.00 H new ATOM 0 HA THR A 50 11.995 1.781 4.163 1.00 0.00 H new ATOM 0 HB THR A 50 11.332 3.606 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.521 3.154 7.489 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.254 3.418 7.707 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.213 2.830 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 50 10.056 1.669 7.441 1.00 0.00 H new ATOM 774 N ARG A 51 10.403 -0.508 5.825 1.00 0.00 N ATOM 775 CA ARG A 51 10.527 -1.846 6.390 1.00 0.00 C ATOM 776 C ARG A 51 11.208 -2.784 5.401 1.00 0.00 C ATOM 777 O ARG A 51 12.302 -3.288 5.657 1.00 0.00 O ATOM 778 CB ARG A 51 9.151 -2.393 6.772 1.00 0.00 C ATOM 779 CG ARG A 51 9.201 -3.461 7.849 1.00 0.00 C ATOM 780 CD ARG A 51 9.138 -2.851 9.240 1.00 0.00 C ATOM 781 NE ARG A 51 8.471 -3.732 10.196 1.00 0.00 N ATOM 782 CZ ARG A 51 9.067 -4.756 10.802 1.00 0.00 C ATOM 783 NH1 ARG A 51 10.340 -5.037 10.554 1.00 0.00 N ATOM 784 NH2 ARG A 51 8.386 -5.504 11.661 1.00 0.00 N ATOM 0 H ARG A 51 9.443 -0.184 5.708 1.00 0.00 H new ATOM 0 HA ARG A 51 11.141 -1.783 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.525 -1.570 7.116 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.674 -2.806 5.883 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.369 -4.153 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.118 -4.041 7.746 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.149 -2.638 9.588 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.609 -1.899 9.194 1.00 0.00 H new ATOM 0 HE ARG A 51 7.491 -3.551 10.412 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.869 -4.466 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.789 -5.824 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.407 -5.294 11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.841 -6.289 12.126 1.00 0.00 H new ATOM 798 N LEU A 52 10.556 -3.007 4.261 1.00 0.00 N ATOM 799 CA LEU A 52 11.096 -3.877 3.219 1.00 0.00 C ATOM 800 C LEU A 52 12.565 -3.564 2.953 1.00 0.00 C ATOM 801 O LEU A 52 13.353 -4.454 2.635 1.00 0.00 O ATOM 802 CB LEU A 52 10.298 -3.711 1.922 1.00 0.00 C ATOM 803 CG LEU A 52 8.781 -3.834 2.064 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.077 -2.989 1.014 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.357 -5.287 1.952 1.00 0.00 C ATOM 0 H LEU A 52 9.650 -2.596 4.036 1.00 0.00 H new ATOM 0 HA LEU A 52 11.014 -4.906 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.528 -2.734 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.641 -4.459 1.207 1.00 0.00 H new ATOM 0 HG LEU A 52 8.494 -3.465 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.998 -3.089 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.360 -1.944 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.368 -3.328 0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.274 -5.359 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.656 -5.679 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.836 -5.868 2.740 1.00 0.00 H new ATOM 817 N GLU A 53 12.923 -2.291 3.083 1.00 0.00 N ATOM 818 CA GLU A 53 14.299 -1.860 2.853 1.00 0.00 C ATOM 819 C GLU A 53 15.248 -2.516 3.850 1.00 0.00 C ATOM 820 O GLU A 53 16.340 -2.952 3.488 1.00 0.00 O ATOM 821 CB GLU A 53 14.403 -0.337 2.952 1.00 0.00 C ATOM 822 CG GLU A 53 13.823 0.393 1.752 1.00 0.00 C ATOM 823 CD GLU A 53 14.782 1.411 1.168 1.00 0.00 C ATOM 824 OE1 GLU A 53 15.982 1.089 1.034 1.00 0.00 O ATOM 825 OE2 GLU A 53 14.334 2.532 0.842 1.00 0.00 O ATOM 0 H GLU A 53 12.283 -1.541 3.345 1.00 0.00 H new ATOM 0 HA GLU A 53 14.588 -2.170 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.888 -0.004 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.451 -0.059 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.558 -0.333 0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.902 0.895 2.048 1.00 0.00 H new ATOM 832 N ARG A 54 14.824 -2.582 5.108 1.00 0.00 N ATOM 833 CA ARG A 54 15.636 -3.185 6.158 1.00 0.00 C ATOM 834 C ARG A 54 15.339 -4.678 6.298 1.00 0.00 C ATOM 835 O ARG A 54 16.118 -5.419 6.897 1.00 0.00 O ATOM 836 CB ARG A 54 15.387 -2.477 7.492 1.00 0.00 C ATOM 837 CG ARG A 54 15.399 -0.961 7.386 1.00 0.00 C ATOM 838 CD ARG A 54 16.810 -0.423 7.197 1.00 0.00 C ATOM 839 NE ARG A 54 17.169 0.546 8.230 1.00 0.00 N ATOM 840 CZ ARG A 54 18.421 0.900 8.511 1.00 0.00 C ATOM 841 NH1 ARG A 54 19.435 0.368 7.841 1.00 0.00 N ATOM 842 NH2 ARG A 54 18.659 1.789 9.466 1.00 0.00 N ATOM 0 H ARG A 54 13.922 -2.225 5.425 1.00 0.00 H new ATOM 0 HA ARG A 54 16.684 -3.070 5.880 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.424 -2.798 7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.148 -2.789 8.207 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.775 -0.649 6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.962 -0.529 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.519 -1.251 7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.891 0.046 6.216 1.00 0.00 H new ATOM 0 HE ARG A 54 16.416 0.976 8.767 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.257 -0.316 7.106 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.392 0.643 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.883 2.201 9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 54 19.618 2.061 9.682 1.00 0.00 H new ATOM 856 N ASP A 55 14.211 -5.113 5.744 1.00 0.00 N ATOM 857 CA ASP A 55 13.818 -6.517 5.811 1.00 0.00 C ATOM 858 C ASP A 55 14.398 -7.297 4.638 1.00 0.00 C ATOM 859 O ASP A 55 14.823 -8.442 4.788 1.00 0.00 O ATOM 860 CB ASP A 55 12.294 -6.642 5.820 1.00 0.00 C ATOM 861 CG ASP A 55 11.698 -6.347 7.182 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.987 -5.265 7.735 1.00 0.00 O ATOM 863 OD2 ASP A 55 10.943 -7.199 7.697 1.00 0.00 O ATOM 0 H ASP A 55 13.554 -4.514 5.244 1.00 0.00 H new ATOM 0 HA ASP A 55 14.214 -6.937 6.736 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.872 -5.956 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.013 -7.650 5.514 1.00 0.00 H new ATOM 868 N VAL A 56 14.415 -6.666 3.469 1.00 0.00 N ATOM 869 CA VAL A 56 14.946 -7.295 2.268 1.00 0.00 C ATOM 870 C VAL A 56 16.433 -7.004 2.113 1.00 0.00 C ATOM 871 O VAL A 56 17.185 -7.819 1.582 1.00 0.00 O ATOM 872 CB VAL A 56 14.206 -6.809 1.009 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.644 -7.604 -0.209 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.700 -6.902 1.206 1.00 0.00 C ATOM 0 H VAL A 56 14.066 -5.718 3.329 1.00 0.00 H new ATOM 0 HA VAL A 56 14.796 -8.369 2.377 1.00 0.00 H new ATOM 0 HB VAL A 56 14.462 -5.763 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.110 -7.246 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.716 -7.478 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.421 -8.660 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.193 -6.554 0.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.422 -7.938 1.402 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.405 -6.281 2.052 1.00 0.00 H new ATOM 884 N GLY A 57 16.847 -5.833 2.583 1.00 0.00 N ATOM 885 CA GLY A 57 18.243 -5.448 2.490 1.00 0.00 C ATOM 886 C GLY A 57 18.568 -4.721 1.197 1.00 0.00 C ATOM 887 O GLY A 57 19.687 -4.242 1.013 1.00 0.00 O ATOM 0 H GLY A 57 16.241 -5.143 3.027 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.496 -4.807 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.867 -6.339 2.567 1.00 0.00 H new ATOM 891 N SER A 58 17.591 -4.637 0.297 1.00 0.00 N ATOM 892 CA SER A 58 17.787 -3.963 -0.981 1.00 0.00 C ATOM 893 C SER A 58 17.169 -2.569 -0.963 1.00 0.00 C ATOM 894 O SER A 58 16.563 -2.160 0.028 1.00 0.00 O ATOM 895 CB SER A 58 17.178 -4.790 -2.116 1.00 0.00 C ATOM 896 OG SER A 58 16.149 -5.637 -1.634 1.00 0.00 O ATOM 0 H SER A 58 16.658 -5.027 0.430 1.00 0.00 H new ATOM 0 HA SER A 58 18.859 -3.862 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.777 -4.125 -2.881 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.955 -5.390 -2.591 1.00 0.00 H new ATOM 0 HG SER A 58 15.284 -5.184 -1.721 1.00 0.00 H new ATOM 902 N THR A 59 17.327 -1.842 -2.065 1.00 0.00 N ATOM 903 CA THR A 59 16.784 -0.493 -2.175 1.00 0.00 C ATOM 904 C THR A 59 15.456 -0.504 -2.927 1.00 0.00 C ATOM 905 O THR A 59 15.336 -1.117 -3.987 1.00 0.00 O ATOM 906 CB THR A 59 17.780 0.425 -2.885 1.00 0.00 C ATOM 907 OG1 THR A 59 18.695 -0.329 -3.658 1.00 0.00 O ATOM 908 CG2 THR A 59 18.584 1.283 -1.931 1.00 0.00 C ATOM 0 H THR A 59 17.826 -2.165 -2.894 1.00 0.00 H new ATOM 0 HA THR A 59 16.609 -0.114 -1.168 1.00 0.00 H new ATOM 0 HB THR A 59 17.175 1.076 -3.515 1.00 0.00 H new ATOM 0 HG1 THR A 59 19.322 0.277 -4.105 1.00 0.00 H new ATOM 0 HG21 THR A 59 19.272 1.911 -2.498 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.909 1.914 -1.352 1.00 0.00 H new ATOM 0 HG23 THR A 59 19.151 0.643 -1.255 1.00 0.00 H new ATOM 916 N ILE A 60 14.461 0.178 -2.369 1.00 0.00 N ATOM 917 CA ILE A 60 13.143 0.245 -2.987 1.00 0.00 C ATOM 918 C ILE A 60 13.037 1.447 -3.930 1.00 0.00 C ATOM 919 O ILE A 60 13.265 2.584 -3.521 1.00 0.00 O ATOM 920 CB ILE A 60 12.029 0.327 -1.920 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.663 0.056 -2.553 1.00 0.00 C ATOM 922 CG2 ILE A 60 12.041 1.683 -1.225 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.976 -1.173 -1.999 1.00 0.00 C ATOM 0 H ILE A 60 14.543 0.691 -1.491 1.00 0.00 H new ATOM 0 HA ILE A 60 13.011 -0.670 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 60 12.219 -0.438 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 60 10.021 0.923 -2.398 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.787 -0.060 -3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.248 1.716 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 60 13.004 1.834 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.880 2.471 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.013 -1.305 -2.492 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.599 -2.050 -2.178 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.821 -1.051 -0.927 1.00 0.00 H new ATOM 935 N PRO A 61 12.703 1.209 -5.213 1.00 0.00 N ATOM 936 CA PRO A 61 12.583 2.273 -6.208 1.00 0.00 C ATOM 937 C PRO A 61 11.192 2.903 -6.250 1.00 0.00 C ATOM 938 O PRO A 61 10.689 3.240 -7.321 1.00 0.00 O ATOM 939 CB PRO A 61 12.871 1.532 -7.508 1.00 0.00 C ATOM 940 CG PRO A 61 12.324 0.160 -7.285 1.00 0.00 C ATOM 941 CD PRO A 61 12.428 -0.116 -5.804 1.00 0.00 C ATOM 0 HA PRO A 61 13.250 3.109 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.390 2.018 -8.357 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.940 1.504 -7.720 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.288 0.098 -7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.887 -0.578 -7.856 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.506 -0.544 -5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 61 13.227 -0.825 -5.585 1.00 0.00 H new ATOM 949 N TYR A 62 10.572 3.061 -5.083 1.00 0.00 N ATOM 950 CA TYR A 62 9.243 3.654 -5.003 1.00 0.00 C ATOM 951 C TYR A 62 9.288 5.004 -4.295 1.00 0.00 C ATOM 952 O TYR A 62 10.046 5.192 -3.343 1.00 0.00 O ATOM 953 CB TYR A 62 8.287 2.710 -4.273 1.00 0.00 C ATOM 954 CG TYR A 62 8.023 1.428 -5.024 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.694 1.447 -6.372 1.00 0.00 C ATOM 956 CD2 TYR A 62 8.107 0.197 -4.386 1.00 0.00 C ATOM 957 CE1 TYR A 62 7.453 0.275 -7.064 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.869 -0.979 -5.070 1.00 0.00 C ATOM 959 CZ TYR A 62 7.543 -0.935 -6.408 1.00 0.00 C ATOM 960 OH TYR A 62 7.305 -2.106 -7.092 1.00 0.00 O ATOM 0 H TYR A 62 10.968 2.787 -4.184 1.00 0.00 H new ATOM 0 HA TYR A 62 8.881 3.813 -6.019 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.702 2.470 -3.294 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.341 3.224 -4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.625 2.393 -6.889 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.363 0.159 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.196 0.306 -8.112 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.938 -1.928 -4.559 1.00 0.00 H new ATOM 0 HH TYR A 62 7.411 -2.867 -6.484 1.00 0.00 H new ATOM 970 N ASP A 63 8.472 5.939 -4.767 1.00 0.00 N ATOM 971 CA ASP A 63 8.418 7.274 -4.181 1.00 0.00 C ATOM 972 C ASP A 63 7.285 7.379 -3.164 1.00 0.00 C ATOM 973 O ASP A 63 6.203 6.828 -3.367 1.00 0.00 O ATOM 974 CB ASP A 63 8.236 8.329 -5.274 1.00 0.00 C ATOM 975 CG ASP A 63 9.509 8.570 -6.063 1.00 0.00 C ATOM 976 OD1 ASP A 63 10.299 9.447 -5.658 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.714 7.881 -7.084 1.00 0.00 O ATOM 0 H ASP A 63 7.838 5.798 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 63 9.362 7.453 -3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.445 8.011 -5.954 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.910 9.265 -4.821 1.00 0.00 H new ATOM 982 N PHE A 64 7.542 8.090 -2.071 1.00 0.00 N ATOM 983 CA PHE A 64 6.543 8.267 -1.023 1.00 0.00 C ATOM 984 C PHE A 64 6.739 9.600 -0.301 1.00 0.00 C ATOM 985 O PHE A 64 7.641 9.739 0.524 1.00 0.00 O ATOM 986 CB PHE A 64 6.621 7.118 -0.018 1.00 0.00 C ATOM 987 CG PHE A 64 5.288 6.736 0.559 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.584 7.623 1.357 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.741 5.488 0.305 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.356 7.275 1.889 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.515 5.134 0.835 1.00 0.00 C ATOM 992 CZ PHE A 64 2.821 6.028 1.628 1.00 0.00 C ATOM 0 H PHE A 64 8.432 8.553 -1.888 1.00 0.00 H new ATOM 0 HA PHE A 64 5.559 8.268 -1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.060 6.248 -0.506 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.292 7.400 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.999 8.598 1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.279 4.785 -0.314 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.816 7.977 2.507 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.099 4.159 0.630 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.863 5.753 2.043 1.00 0.00 H new ATOM 1002 N PRO A 65 5.894 10.604 -0.600 1.00 0.00 N ATOM 1003 CA PRO A 65 5.986 11.925 0.031 1.00 0.00 C ATOM 1004 C PRO A 65 5.570 11.897 1.498 1.00 0.00 C ATOM 1005 O PRO A 65 4.426 11.580 1.822 1.00 0.00 O ATOM 1006 CB PRO A 65 5.012 12.778 -0.785 1.00 0.00 C ATOM 1007 CG PRO A 65 4.024 11.806 -1.329 1.00 0.00 C ATOM 1008 CD PRO A 65 4.786 10.532 -1.572 1.00 0.00 C ATOM 0 HA PRO A 65 7.008 12.305 0.033 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.527 13.530 -0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.526 13.310 -1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.208 11.644 -0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.580 12.177 -2.253 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.163 9.653 -1.406 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.154 10.473 -2.596 1.00 0.00 H new ATOM 1258 N TYR A 79 -7.563 16.011 8.341 1.00 0.00 N ATOM 1259 CA TYR A 79 -7.420 14.608 7.971 1.00 0.00 C ATOM 1260 C TYR A 79 -8.662 14.102 7.241 1.00 0.00 C ATOM 1261 O TYR A 79 -8.589 13.159 6.453 1.00 0.00 O ATOM 1262 CB TYR A 79 -7.147 13.754 9.216 1.00 0.00 C ATOM 1263 CG TYR A 79 -8.375 13.462 10.054 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -9.286 14.464 10.366 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -8.620 12.181 10.533 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -10.406 14.198 11.131 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -9.737 11.907 11.298 1.00 0.00 C ATOM 1268 CZ TYR A 79 -10.627 12.918 11.594 1.00 0.00 C ATOM 1269 OH TYR A 79 -11.741 12.649 12.355 1.00 0.00 O ATOM 0 HA TYR A 79 -6.572 14.522 7.292 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.702 12.809 8.904 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.410 14.264 9.837 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -9.116 15.467 10.005 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.926 11.386 10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -11.104 14.988 11.365 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -9.913 10.906 11.663 1.00 0.00 H new ATOM 0 HH TYR A 79 -12.467 13.254 12.097 1.00 0.00 H new ATOM 1279 N ASP A 80 -9.801 14.734 7.507 1.00 0.00 N ATOM 1280 CA ASP A 80 -11.056 14.346 6.873 1.00 0.00 C ATOM 1281 C ASP A 80 -11.371 15.241 5.677 1.00 0.00 C ATOM 1282 O ASP A 80 -12.528 15.374 5.278 1.00 0.00 O ATOM 1283 CB ASP A 80 -12.203 14.409 7.884 1.00 0.00 C ATOM 1284 CG ASP A 80 -12.352 15.786 8.503 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.376 16.563 8.464 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -13.447 16.086 9.024 1.00 0.00 O ATOM 0 H ASP A 80 -9.881 15.516 8.157 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.947 13.322 6.516 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -13.135 14.133 7.390 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.030 13.676 8.672 1.00 0.00 H new ATOM 1291 N ASP A 81 -10.337 15.851 5.106 1.00 0.00 N ATOM 1292 CA ASP A 81 -10.510 16.729 3.956 1.00 0.00 C ATOM 1293 C ASP A 81 -10.452 15.933 2.652 1.00 0.00 C ATOM 1294 O ASP A 81 -9.459 15.260 2.375 1.00 0.00 O ATOM 1295 CB ASP A 81 -9.433 17.816 3.951 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.775 18.964 3.021 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -10.899 19.498 3.126 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -8.919 19.327 2.188 1.00 0.00 O ATOM 0 H ASP A 81 -9.372 15.753 5.421 1.00 0.00 H new ATOM 0 HA ASP A 81 -11.490 17.199 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.302 18.199 4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.481 17.379 3.650 1.00 0.00 H new ATOM 1303 N PRO A 82 -11.514 15.997 1.829 1.00 0.00 N ATOM 1304 CA PRO A 82 -11.564 15.275 0.552 1.00 0.00 C ATOM 1305 C PRO A 82 -10.514 15.773 -0.434 1.00 0.00 C ATOM 1306 O PRO A 82 -9.939 14.991 -1.191 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.974 15.563 0.026 1.00 0.00 C ATOM 1308 CG PRO A 82 -13.394 16.814 0.717 1.00 0.00 C ATOM 1309 CD PRO A 82 -12.742 16.776 2.069 1.00 0.00 C ATOM 0 HA PRO A 82 -11.356 14.213 0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.973 15.691 -1.056 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.654 14.741 0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.080 17.694 0.156 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -14.479 16.865 0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.518 17.778 2.436 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -13.382 16.300 2.812 1.00 0.00 H new ATOM 1317 N GLU A 83 -10.264 17.078 -0.416 1.00 0.00 N ATOM 1318 CA GLU A 83 -9.279 17.679 -1.309 1.00 0.00 C ATOM 1319 C GLU A 83 -7.900 17.069 -1.079 1.00 0.00 C ATOM 1320 O GLU A 83 -7.118 16.906 -2.016 1.00 0.00 O ATOM 1321 CB GLU A 83 -9.223 19.193 -1.097 1.00 0.00 C ATOM 1322 CG GLU A 83 -10.396 19.936 -1.714 1.00 0.00 C ATOM 1323 CD GLU A 83 -10.241 21.442 -1.628 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -9.168 21.952 -2.014 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -11.193 22.112 -1.175 1.00 0.00 O ATOM 0 H GLU A 83 -10.729 17.739 0.206 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.582 17.476 -2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.194 19.401 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.296 19.577 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.498 19.644 -2.759 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.315 19.639 -1.209 1.00 0.00 H new ATOM 1332 N MET A 84 -7.612 16.728 0.173 1.00 0.00 N ATOM 1333 CA MET A 84 -6.331 16.129 0.527 1.00 0.00 C ATOM 1334 C MET A 84 -6.387 14.613 0.371 1.00 0.00 C ATOM 1335 O MET A 84 -5.444 13.993 -0.121 1.00 0.00 O ATOM 1336 CB MET A 84 -5.953 16.493 1.965 1.00 0.00 C ATOM 1337 CG MET A 84 -4.563 16.026 2.365 1.00 0.00 C ATOM 1338 SD MET A 84 -4.275 16.145 4.141 1.00 0.00 S ATOM 1339 CE MET A 84 -5.514 15.010 4.761 1.00 0.00 C ATOM 0 H MET A 84 -8.249 16.856 0.959 1.00 0.00 H new ATOM 0 HA MET A 84 -5.571 16.522 -0.149 1.00 0.00 H new ATOM 0 HB2 MET A 84 -6.012 17.575 2.085 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.684 16.056 2.646 1.00 0.00 H new ATOM 0 HG2 MET A 84 -4.426 14.993 2.047 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.818 16.623 1.839 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.077 14.384 5.539 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.349 15.574 5.176 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.871 14.380 3.946 1.00 0.00 H new ATOM 1349 N ILE A 85 -7.501 14.025 0.790 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.689 12.583 0.694 1.00 0.00 C ATOM 1351 C ILE A 85 -7.666 12.129 -0.764 1.00 0.00 C ATOM 1352 O ILE A 85 -7.245 11.014 -1.071 1.00 0.00 O ATOM 1353 CB ILE A 85 -9.018 12.151 1.362 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.852 12.095 2.882 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.493 10.805 0.828 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.932 12.838 3.635 1.00 0.00 C ATOM 0 H ILE A 85 -8.289 14.526 1.200 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.864 12.105 1.223 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.777 12.894 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.849 11.053 3.201 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.881 12.513 3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.428 10.529 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.653 10.876 -0.248 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.739 10.045 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.751 12.756 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.921 13.889 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.904 12.406 3.397 1.00 0.00 H new ATOM 1368 N ASP A 86 -8.120 13.002 -1.658 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.151 12.692 -3.085 1.00 0.00 C ATOM 1370 C ASP A 86 -6.777 12.241 -3.575 1.00 0.00 C ATOM 1371 O ASP A 86 -6.634 11.155 -4.137 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.616 13.913 -3.883 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.667 13.559 -4.918 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -9.597 12.444 -5.478 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.559 14.397 -5.168 1.00 0.00 O ATOM 0 H ASP A 86 -8.472 13.930 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.857 11.876 -3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.020 14.659 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.759 14.367 -4.380 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.770 13.082 -3.359 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.410 12.766 -3.778 1.00 0.00 C ATOM 1382 C GLU A 87 -3.887 11.541 -3.037 1.00 0.00 C ATOM 1383 O GLU A 87 -3.374 10.604 -3.651 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.486 13.960 -3.531 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.586 15.037 -4.599 1.00 0.00 C ATOM 1386 CD GLU A 87 -2.677 16.219 -4.323 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -1.441 16.039 -4.363 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -3.200 17.323 -4.067 1.00 0.00 O ATOM 0 H GLU A 87 -5.871 13.986 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.426 12.545 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.723 14.398 -2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.456 13.607 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.332 14.607 -5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.617 15.384 -4.664 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.024 11.548 -1.715 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.569 10.431 -0.894 1.00 0.00 C ATOM 1397 C ARG A 88 -4.169 9.116 -1.388 1.00 0.00 C ATOM 1398 O ARG A 88 -3.603 8.045 -1.177 1.00 0.00 O ATOM 1399 CB ARG A 88 -3.946 10.660 0.571 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.358 11.932 1.159 1.00 0.00 C ATOM 1401 CD ARG A 88 -1.838 11.907 1.132 1.00 0.00 C ATOM 1402 NE ARG A 88 -1.259 13.079 1.786 1.00 0.00 N ATOM 1403 CZ ARG A 88 -1.284 14.305 1.268 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -1.859 14.524 0.092 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -0.733 15.314 1.928 1.00 0.00 N ATOM 0 H ARG A 88 -4.446 12.314 -1.190 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.484 10.369 -0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -5.032 10.699 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.610 9.808 1.161 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.719 12.794 0.598 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.703 12.053 2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.482 11.003 1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -1.495 11.862 0.099 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.809 12.950 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.285 13.751 -0.419 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -1.875 15.465 -0.300 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.290 15.151 2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.752 16.254 1.532 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.320 9.210 -2.050 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.998 8.034 -2.579 1.00 0.00 C ATOM 1421 C ARG A 89 -5.145 7.347 -3.642 1.00 0.00 C ATOM 1422 O ARG A 89 -4.907 6.142 -3.577 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.351 8.427 -3.175 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.416 7.355 -3.027 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.815 7.953 -3.037 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.250 8.302 -4.387 1.00 0.00 N ATOM 1427 CZ ARG A 89 -11.239 9.154 -4.650 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -11.898 9.743 -3.661 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -11.570 9.416 -5.908 1.00 0.00 N ATOM 0 H ARG A 89 -5.801 10.091 -2.232 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.157 7.336 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.699 9.341 -2.694 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.220 8.654 -4.233 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.322 6.633 -3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.259 6.811 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.517 7.241 -2.602 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.833 8.843 -2.408 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.768 7.868 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.648 9.544 -2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.655 10.395 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -11.067 8.965 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.327 10.068 -6.111 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.687 8.126 -4.618 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.857 7.588 -5.694 1.00 0.00 C ATOM 1445 C ILE A 90 -2.394 7.515 -5.272 1.00 0.00 C ATOM 1446 O ILE A 90 -1.984 8.151 -4.301 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.968 8.410 -7.000 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -4.025 9.917 -6.717 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -5.192 7.977 -7.793 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.676 10.535 -6.423 1.00 0.00 C ATOM 0 H ILE A 90 -4.875 9.126 -4.687 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.234 6.585 -5.893 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.072 8.217 -7.590 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.466 10.422 -7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.687 10.093 -5.869 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.258 8.563 -8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.108 6.920 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.089 8.137 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.798 11.601 -6.233 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.241 10.058 -5.545 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.016 10.392 -7.279 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.612 6.729 -6.004 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.204 6.580 -5.688 1.00 0.00 C ATOM 1464 C GLY A 91 0.076 5.308 -4.913 1.00 0.00 C ATOM 1465 O GLY A 91 1.102 4.660 -5.119 1.00 0.00 O ATOM 0 H GLY A 91 -1.929 6.192 -6.811 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.376 6.576 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.129 7.439 -5.106 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.842 4.950 -4.022 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.696 3.745 -3.214 1.00 0.00 C ATOM 1471 C LEU A 92 -0.796 2.497 -4.086 1.00 0.00 C ATOM 1472 O LEU A 92 0.079 1.631 -4.051 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.765 3.706 -2.121 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.771 4.911 -1.178 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.040 4.925 -0.339 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.539 4.893 -0.285 1.00 0.00 C ATOM 0 H LEU A 92 -1.696 5.478 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 92 0.288 3.764 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.744 3.629 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.625 2.801 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.747 5.820 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.027 5.789 0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.909 4.984 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.094 4.012 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.559 5.757 0.380 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.533 3.979 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.358 4.931 -0.902 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.865 2.415 -4.871 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.078 1.276 -5.757 1.00 0.00 C ATOM 1490 C GLU A 93 -0.906 1.118 -6.721 1.00 0.00 C ATOM 1491 O GLU A 93 -0.586 0.008 -7.148 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.381 1.449 -6.540 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.510 2.805 -7.216 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.214 2.724 -8.556 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -3.733 1.979 -9.436 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -5.248 3.405 -8.725 1.00 0.00 O ATOM 0 H GLU A 93 -2.597 3.124 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.149 0.376 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.447 0.667 -7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.223 1.308 -5.863 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.059 3.482 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.517 3.233 -7.357 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.268 2.235 -7.055 1.00 0.00 N ATOM 1504 CA ARG A 94 0.871 2.222 -7.964 1.00 0.00 C ATOM 1505 C ARG A 94 2.052 1.497 -7.328 1.00 0.00 C ATOM 1506 O ARG A 94 2.803 0.796 -8.006 1.00 0.00 O ATOM 1507 CB ARG A 94 1.272 3.651 -8.338 1.00 0.00 C ATOM 1508 CG ARG A 94 0.097 4.532 -8.737 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.098 4.550 -10.245 1.00 0.00 C ATOM 1510 NE ARG A 94 1.110 4.973 -10.948 1.00 0.00 N ATOM 1511 CZ ARG A 94 1.538 6.232 -10.996 1.00 0.00 C ATOM 1512 NH1 ARG A 94 0.860 7.194 -10.382 1.00 0.00 N ATOM 1513 NH2 ARG A 94 2.648 6.529 -11.657 1.00 0.00 N ATOM 0 H ARG A 94 -0.521 3.161 -6.709 1.00 0.00 H new ATOM 0 HA ARG A 94 0.581 1.691 -8.870 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.786 4.108 -7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.984 3.615 -9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.811 4.169 -8.256 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.264 5.548 -8.378 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.386 3.555 -10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.918 5.223 -10.496 1.00 0.00 H new ATOM 0 HE ARG A 94 1.658 4.261 -11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 94 0.007 6.970 -9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 94 1.192 8.157 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.173 5.793 -12.128 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.977 7.494 -11.694 1.00 0.00 H new ATOM 1527 N PHE A 95 2.204 1.669 -6.019 1.00 0.00 N ATOM 1528 CA PHE A 95 3.288 1.030 -5.281 1.00 0.00 C ATOM 1529 C PHE A 95 3.097 -0.483 -5.246 1.00 0.00 C ATOM 1530 O PHE A 95 4.065 -1.240 -5.189 1.00 0.00 O ATOM 1531 CB PHE A 95 3.352 1.586 -3.856 1.00 0.00 C ATOM 1532 CG PHE A 95 4.408 0.944 -2.999 1.00 0.00 C ATOM 1533 CD1 PHE A 95 4.223 -0.328 -2.484 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.585 1.617 -2.706 1.00 0.00 C ATOM 1535 CE1 PHE A 95 5.190 -0.920 -1.695 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.556 1.030 -1.917 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.358 -0.240 -1.410 1.00 0.00 C ATOM 0 H PHE A 95 1.589 2.247 -5.446 1.00 0.00 H new ATOM 0 HA PHE A 95 4.227 1.247 -5.790 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.539 2.659 -3.903 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.381 1.452 -3.380 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.311 -0.864 -2.702 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.744 2.610 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.033 -1.913 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 95 7.469 1.564 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 95 7.115 -0.700 -0.792 1.00 0.00 H new ATOM 1547 N LEU A 96 1.840 -0.917 -5.280 1.00 0.00 N ATOM 1548 CA LEU A 96 1.519 -2.339 -5.251 1.00 0.00 C ATOM 1549 C LEU A 96 1.576 -2.942 -6.651 1.00 0.00 C ATOM 1550 O LEU A 96 1.928 -4.108 -6.821 1.00 0.00 O ATOM 1551 CB LEU A 96 0.129 -2.558 -4.650 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.015 -2.155 -3.182 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.452 -2.332 -2.721 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.932 -2.968 -2.312 1.00 0.00 C ATOM 0 H LEU A 96 1.027 -0.303 -5.328 1.00 0.00 H new ATOM 0 HA LEU A 96 2.262 -2.838 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.596 -1.995 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.130 -3.612 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 96 0.249 -1.102 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.537 -2.041 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.108 -1.706 -3.326 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.744 -3.376 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.817 -2.669 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.699 -4.028 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.960 -2.791 -2.629 1.00 0.00 H new ATOM 1566 N ASN A 97 1.222 -2.141 -7.651 1.00 0.00 N ATOM 1567 CA ASN A 97 1.226 -2.597 -9.038 1.00 0.00 C ATOM 1568 C ASN A 97 2.592 -3.150 -9.433 1.00 0.00 C ATOM 1569 O ASN A 97 2.699 -4.268 -9.940 1.00 0.00 O ATOM 1570 CB ASN A 97 0.842 -1.450 -9.974 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.594 -1.003 -9.784 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.868 0.186 -9.614 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.519 -1.953 -9.814 1.00 0.00 N ATOM 0 H ASN A 97 0.928 -1.172 -7.527 1.00 0.00 H new ATOM 0 HA ASN A 97 0.492 -3.398 -9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.508 -0.605 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.988 -1.764 -11.008 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.503 -1.711 -9.694 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.247 -2.925 -9.958 1.00 0.00 H new ATOM 1580 N GLU A 98 3.633 -2.358 -9.206 1.00 0.00 N ATOM 1581 CA GLU A 98 4.992 -2.763 -9.547 1.00 0.00 C ATOM 1582 C GLU A 98 5.511 -3.836 -8.592 1.00 0.00 C ATOM 1583 O GLU A 98 6.403 -4.609 -8.943 1.00 0.00 O ATOM 1584 CB GLU A 98 5.923 -1.549 -9.524 1.00 0.00 C ATOM 1585 CG GLU A 98 7.360 -1.874 -9.901 1.00 0.00 C ATOM 1586 CD GLU A 98 7.771 -1.254 -11.223 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.471 -1.852 -12.278 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.394 -0.171 -11.203 1.00 0.00 O ATOM 0 H GLU A 98 3.562 -1.431 -8.787 1.00 0.00 H new ATOM 0 HA GLU A 98 4.973 -3.186 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.538 -0.794 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.909 -1.110 -8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.027 -1.520 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.481 -2.956 -9.958 1.00 0.00 H new ATOM 1595 N LEU A 99 4.957 -3.878 -7.384 1.00 0.00 N ATOM 1596 CA LEU A 99 5.380 -4.858 -6.389 1.00 0.00 C ATOM 1597 C LEU A 99 4.698 -6.204 -6.609 1.00 0.00 C ATOM 1598 O LEU A 99 5.361 -7.214 -6.837 1.00 0.00 O ATOM 1599 CB LEU A 99 5.079 -4.352 -4.981 1.00 0.00 C ATOM 1600 CG LEU A 99 5.803 -5.111 -3.867 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.318 -4.150 -2.810 1.00 0.00 C ATOM 1602 CD2 LEU A 99 4.883 -6.151 -3.250 1.00 0.00 C ATOM 0 H LEU A 99 4.218 -3.248 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 99 6.455 -4.997 -6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.350 -3.298 -4.921 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.005 -4.415 -4.808 1.00 0.00 H new ATOM 0 HG LEU A 99 6.660 -5.626 -4.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.829 -4.710 -2.027 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.014 -3.446 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.481 -3.603 -2.377 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.413 -6.682 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.006 -5.658 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.569 -6.860 -4.016 1.00 0.00 H new ATOM 1614 N TYR A 100 3.373 -6.215 -6.533 1.00 0.00 N ATOM 1615 CA TYR A 100 2.608 -7.442 -6.716 1.00 0.00 C ATOM 1616 C TYR A 100 2.873 -8.066 -8.086 1.00 0.00 C ATOM 1617 O TYR A 100 2.629 -9.255 -8.291 1.00 0.00 O ATOM 1618 CB TYR A 100 1.113 -7.163 -6.543 1.00 0.00 C ATOM 1619 CG TYR A 100 0.684 -7.003 -5.097 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.610 -6.718 -4.098 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.651 -7.135 -4.733 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.218 -6.572 -2.781 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -1.049 -6.989 -3.417 1.00 0.00 C ATOM 1624 CZ TYR A 100 -0.112 -6.708 -2.446 1.00 0.00 C ATOM 1625 OH TYR A 100 -0.506 -6.562 -1.136 1.00 0.00 O ATOM 0 H TYR A 100 2.806 -5.388 -6.346 1.00 0.00 H new ATOM 0 HA TYR A 100 2.930 -8.154 -5.956 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.856 -6.256 -7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.546 -7.978 -6.992 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.653 -6.609 -4.356 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.389 -7.355 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.950 -6.352 -2.018 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.090 -7.095 -3.151 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.120 -5.740 -0.768 1.00 0.00 H new ATOM 1635 N ASN A 101 3.375 -7.263 -9.020 1.00 0.00 N ATOM 1636 CA ASN A 101 3.671 -7.748 -10.363 1.00 0.00 C ATOM 1637 C ASN A 101 5.120 -8.222 -10.465 1.00 0.00 C ATOM 1638 O ASN A 101 5.901 -7.701 -11.260 1.00 0.00 O ATOM 1639 CB ASN A 101 3.406 -6.650 -11.394 1.00 0.00 C ATOM 1640 CG ASN A 101 3.277 -7.198 -12.802 1.00 0.00 C ATOM 1641 OD1 ASN A 101 3.733 -8.303 -13.095 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.651 -6.425 -13.683 1.00 0.00 N ATOM 0 H ASN A 101 3.585 -6.276 -8.871 1.00 0.00 H new ATOM 0 HA ASN A 101 3.017 -8.595 -10.569 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.492 -6.119 -11.129 1.00 0.00 H new ATOM 0 HB3 ASN A 101 4.217 -5.923 -11.363 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.533 -6.741 -14.646 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.288 -5.516 -13.397 1.00 0.00 H new ATOM 1649 N ASP A 102 5.471 -9.216 -9.653 1.00 0.00 N ATOM 1650 CA ASP A 102 6.824 -9.762 -9.651 1.00 0.00 C ATOM 1651 C ASP A 102 6.979 -10.845 -10.712 1.00 0.00 C ATOM 1652 O ASP A 102 6.014 -11.523 -11.068 1.00 0.00 O ATOM 1653 CB ASP A 102 7.171 -10.331 -8.274 1.00 0.00 C ATOM 1654 CG ASP A 102 6.091 -11.249 -7.736 1.00 0.00 C ATOM 1655 OD1 ASP A 102 6.012 -12.407 -8.198 1.00 0.00 O ATOM 1656 OD2 ASP A 102 5.323 -10.811 -6.855 1.00 0.00 O ATOM 0 H ASP A 102 4.837 -9.659 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 102 7.511 -8.949 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 102 8.111 -10.879 -8.337 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.327 -9.510 -7.574 1.00 0.00 H new ATOM 1661 N ARG A 103 8.199 -11.003 -11.214 1.00 0.00 N ATOM 1662 CA ARG A 103 8.483 -12.006 -12.236 1.00 0.00 C ATOM 1663 C ARG A 103 9.356 -13.125 -11.674 1.00 0.00 C ATOM 1664 O ARG A 103 8.867 -14.215 -11.376 1.00 0.00 O ATOM 1665 CB ARG A 103 9.167 -11.366 -13.452 1.00 0.00 C ATOM 1666 CG ARG A 103 9.825 -10.024 -13.163 1.00 0.00 C ATOM 1667 CD ARG A 103 10.500 -9.457 -14.402 1.00 0.00 C ATOM 1668 NE ARG A 103 11.236 -8.230 -14.111 1.00 0.00 N ATOM 1669 CZ ARG A 103 11.615 -7.355 -15.040 1.00 0.00 C ATOM 1670 NH1 ARG A 103 11.327 -7.568 -16.318 1.00 0.00 N ATOM 1671 NH2 ARG A 103 12.282 -6.263 -14.691 1.00 0.00 N ATOM 0 H ARG A 103 9.008 -10.450 -10.930 1.00 0.00 H new ATOM 0 HA ARG A 103 7.533 -12.434 -12.555 1.00 0.00 H new ATOM 0 HB2 ARG A 103 9.922 -12.053 -13.834 1.00 0.00 H new ATOM 0 HB3 ARG A 103 8.428 -11.233 -14.242 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.075 -9.320 -12.801 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.561 -10.142 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.182 -10.200 -14.815 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.748 -9.256 -15.165 1.00 0.00 H new ATOM 0 HE ARG A 103 11.474 -8.032 -13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.813 -8.405 -16.592 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.620 -6.894 -17.026 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.505 -6.093 -13.710 1.00 0.00 H new ATOM 0 HH22 ARG A 103 12.572 -5.593 -15.403 1.00 0.00 H new ATOM 1685 N PHE A 104 10.649 -12.852 -11.535 1.00 0.00 N ATOM 1686 CA PHE A 104 11.588 -13.838 -11.012 1.00 0.00 C ATOM 1687 C PHE A 104 12.024 -13.481 -9.594 1.00 0.00 C ATOM 1688 O PHE A 104 12.368 -14.357 -8.800 1.00 0.00 O ATOM 1689 CB PHE A 104 12.813 -13.940 -11.922 1.00 0.00 C ATOM 1690 CG PHE A 104 12.589 -14.795 -13.137 1.00 0.00 C ATOM 1691 CD1 PHE A 104 12.240 -16.129 -13.006 1.00 0.00 C ATOM 1692 CD2 PHE A 104 12.727 -14.264 -14.410 1.00 0.00 C ATOM 1693 CE1 PHE A 104 12.034 -16.919 -14.121 1.00 0.00 C ATOM 1694 CE2 PHE A 104 12.521 -15.048 -15.528 1.00 0.00 C ATOM 1695 CZ PHE A 104 12.175 -16.377 -15.384 1.00 0.00 C ATOM 0 H PHE A 104 11.071 -11.956 -11.777 1.00 0.00 H new ATOM 0 HA PHE A 104 11.081 -14.803 -10.984 1.00 0.00 H new ATOM 0 HB2 PHE A 104 13.103 -12.939 -12.241 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.647 -14.347 -11.350 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.128 -16.557 -12.021 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.999 -13.225 -14.529 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.763 -17.958 -14.005 1.00 0.00 H new ATOM 0 HE2 PHE A 104 12.630 -14.622 -16.514 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.015 -16.992 -16.257 1.00 0.00 H new ATOM 1705 N ASP A 105 12.010 -12.189 -9.281 1.00 0.00 N ATOM 1706 CA ASP A 105 12.407 -11.717 -7.958 1.00 0.00 C ATOM 1707 C ASP A 105 11.211 -11.164 -7.194 1.00 0.00 C ATOM 1708 O ASP A 105 10.743 -10.058 -7.468 1.00 0.00 O ATOM 1709 CB ASP A 105 13.488 -10.643 -8.080 1.00 0.00 C ATOM 1710 CG ASP A 105 14.737 -11.154 -8.769 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.633 -11.607 -9.929 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.820 -11.103 -8.149 1.00 0.00 O ATOM 0 H ASP A 105 11.728 -11.450 -9.925 1.00 0.00 H new ATOM 0 HA ASP A 105 12.807 -12.566 -7.404 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.091 -9.794 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.748 -10.279 -7.086 1.00 0.00 H new ATOM 1717 N SER A 106 10.725 -11.938 -6.230 1.00 0.00 N ATOM 1718 CA SER A 106 9.587 -11.522 -5.420 1.00 0.00 C ATOM 1719 C SER A 106 10.016 -11.255 -3.983 1.00 0.00 C ATOM 1720 O SER A 106 9.243 -11.456 -3.048 1.00 0.00 O ATOM 1721 CB SER A 106 8.491 -12.587 -5.442 1.00 0.00 C ATOM 1722 OG SER A 106 9.038 -13.886 -5.295 1.00 0.00 O ATOM 0 H SER A 106 11.101 -12.856 -5.991 1.00 0.00 H new ATOM 0 HA SER A 106 9.192 -10.600 -5.847 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.778 -12.396 -4.640 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.939 -12.526 -6.380 1.00 0.00 H new ATOM 0 HG SER A 106 8.316 -14.549 -5.311 1.00 0.00 H new ATOM 1728 N ARG A 107 11.252 -10.806 -3.813 1.00 0.00 N ATOM 1729 CA ARG A 107 11.779 -10.514 -2.485 1.00 0.00 C ATOM 1730 C ARG A 107 10.981 -9.398 -1.817 1.00 0.00 C ATOM 1731 O ARG A 107 10.702 -9.449 -0.618 1.00 0.00 O ATOM 1732 CB ARG A 107 13.253 -10.116 -2.572 1.00 0.00 C ATOM 1733 CG ARG A 107 14.115 -11.124 -3.312 1.00 0.00 C ATOM 1734 CD ARG A 107 15.372 -10.478 -3.871 1.00 0.00 C ATOM 1735 NE ARG A 107 15.071 -9.546 -4.955 1.00 0.00 N ATOM 1736 CZ ARG A 107 15.968 -8.723 -5.495 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.219 -8.711 -5.054 1.00 0.00 N ATOM 1738 NH2 ARG A 107 15.611 -7.908 -6.480 1.00 0.00 N ATOM 0 H ARG A 107 11.908 -10.636 -4.575 1.00 0.00 H new ATOM 0 HA ARG A 107 11.688 -11.417 -1.881 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.330 -9.150 -3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.645 -9.987 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.390 -11.934 -2.637 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.541 -11.568 -4.125 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.894 -9.950 -3.073 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.047 -11.253 -4.235 1.00 0.00 H new ATOM 0 HE ARG A 107 14.119 -9.524 -5.319 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.499 -9.335 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.901 -8.078 -5.472 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.650 -7.912 -6.823 1.00 0.00 H new ATOM 0 HH22 ARG A 107 16.297 -7.277 -6.894 1.00 0.00 H new ATOM 1752 N TRP A 108 10.625 -8.385 -2.601 1.00 0.00 N ATOM 1753 CA TRP A 108 9.869 -7.247 -2.090 1.00 0.00 C ATOM 1754 C TRP A 108 8.488 -7.663 -1.588 1.00 0.00 C ATOM 1755 O TRP A 108 7.899 -6.985 -0.747 1.00 0.00 O ATOM 1756 CB TRP A 108 9.732 -6.175 -3.173 1.00 0.00 C ATOM 1757 CG TRP A 108 11.031 -5.511 -3.515 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.663 -5.517 -4.726 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.859 -4.745 -2.634 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.833 -4.801 -4.650 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.975 -4.317 -3.377 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.764 -4.378 -1.290 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.988 -3.542 -2.818 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.770 -3.608 -0.735 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.870 -3.198 -1.500 1.00 0.00 C ATOM 0 H TRP A 108 10.849 -8.329 -3.595 1.00 0.00 H new ATOM 0 HA TRP A 108 10.421 -6.839 -1.243 1.00 0.00 H new ATOM 0 HB2 TRP A 108 9.315 -6.628 -4.073 1.00 0.00 H new ATOM 0 HB3 TRP A 108 9.022 -5.419 -2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 108 11.297 -6.012 -5.613 1.00 0.00 H new ATOM 0 HE1 TRP A 108 13.489 -4.654 -5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.919 -4.690 -0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.837 -3.224 -3.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.707 -3.318 0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.641 -2.598 -1.039 1.00 0.00 H new ATOM 1776 N ARG A 109 7.973 -8.778 -2.100 1.00 0.00 N ATOM 1777 CA ARG A 109 6.658 -9.263 -1.683 1.00 0.00 C ATOM 1778 C ARG A 109 6.783 -10.500 -0.797 1.00 0.00 C ATOM 1779 O ARG A 109 5.875 -10.815 -0.027 1.00 0.00 O ATOM 1780 CB ARG A 109 5.771 -9.575 -2.896 1.00 0.00 C ATOM 1781 CG ARG A 109 6.538 -9.993 -4.143 1.00 0.00 C ATOM 1782 CD ARG A 109 6.812 -8.806 -5.053 1.00 0.00 C ATOM 1783 NE ARG A 109 8.242 -8.614 -5.289 1.00 0.00 N ATOM 1784 CZ ARG A 109 8.739 -7.900 -6.297 1.00 0.00 C ATOM 1785 NH1 ARG A 109 7.928 -7.303 -7.162 1.00 0.00 N ATOM 1786 NH2 ARG A 109 10.051 -7.784 -6.441 1.00 0.00 N ATOM 0 H ARG A 109 8.440 -9.358 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 109 6.188 -8.467 -1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 109 5.076 -10.370 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.173 -8.694 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.481 -10.456 -3.853 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.968 -10.746 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.304 -8.955 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.394 -7.903 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 109 8.898 -9.053 -4.643 1.00 0.00 H new ATOM 0 HH11 ARG A 109 6.917 -7.390 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.316 -6.758 -7.932 1.00 0.00 H new ATOM 0 HH21 ARG A 109 10.679 -8.241 -5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.433 -7.237 -7.213 1.00 0.00 H new ATOM 1800 N ASP A 110 7.910 -11.195 -0.905 1.00 0.00 N ATOM 1801 CA ASP A 110 8.148 -12.392 -0.106 1.00 0.00 C ATOM 1802 C ASP A 110 8.216 -12.044 1.378 1.00 0.00 C ATOM 1803 O ASP A 110 7.888 -12.865 2.234 1.00 0.00 O ATOM 1804 CB ASP A 110 9.446 -13.073 -0.542 1.00 0.00 C ATOM 1805 CG ASP A 110 9.661 -14.405 0.151 1.00 0.00 C ATOM 1806 OD1 ASP A 110 8.659 -15.092 0.439 1.00 0.00 O ATOM 1807 OD2 ASP A 110 10.831 -14.761 0.403 1.00 0.00 O ATOM 0 H ASP A 110 8.672 -10.951 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 110 7.317 -13.079 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.428 -13.227 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 110 10.288 -12.415 -0.328 1.00 0.00 H new ATOM 1812 N THR A 111 8.644 -10.818 1.673 1.00 0.00 N ATOM 1813 CA THR A 111 8.759 -10.351 3.048 1.00 0.00 C ATOM 1814 C THR A 111 7.474 -10.607 3.831 1.00 0.00 C ATOM 1815 O THR A 111 6.373 -10.501 3.291 1.00 0.00 O ATOM 1816 CB THR A 111 9.088 -8.858 3.064 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.369 -8.389 1.756 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.274 -8.520 3.935 1.00 0.00 C ATOM 0 H THR A 111 8.917 -10.129 0.972 1.00 0.00 H new ATOM 0 HA THR A 111 9.564 -10.908 3.528 1.00 0.00 H new ATOM 0 HB THR A 111 8.203 -8.372 3.474 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.553 -8.021 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.455 -7.446 3.903 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.069 -8.823 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.155 -9.047 3.570 1.00 0.00 H new ATOM 1826 N LYS A 112 7.624 -10.937 5.110 1.00 0.00 N ATOM 1827 CA LYS A 112 6.478 -11.200 5.969 1.00 0.00 C ATOM 1828 C LYS A 112 5.617 -9.950 6.113 1.00 0.00 C ATOM 1829 O LYS A 112 4.404 -10.037 6.306 1.00 0.00 O ATOM 1830 CB LYS A 112 6.944 -11.676 7.347 1.00 0.00 C ATOM 1831 CG LYS A 112 5.830 -12.272 8.194 1.00 0.00 C ATOM 1832 CD LYS A 112 5.375 -11.309 9.279 1.00 0.00 C ATOM 1833 CE LYS A 112 5.168 -12.022 10.606 1.00 0.00 C ATOM 1834 NZ LYS A 112 4.150 -11.339 11.450 1.00 0.00 N ATOM 0 H LYS A 112 8.528 -11.028 5.573 1.00 0.00 H new ATOM 0 HA LYS A 112 5.878 -11.985 5.508 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.729 -12.421 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.386 -10.836 7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.984 -12.528 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.176 -13.199 8.651 1.00 0.00 H new ATOM 0 HD2 LYS A 112 6.117 -10.520 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.445 -10.829 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.856 -13.050 10.421 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.114 -12.068 11.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.038 -11.856 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.459 -10.366 11.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.240 -11.317 10.947 1.00 0.00 H new ATOM 1848 N ILE A 113 6.254 -8.787 6.015 1.00 0.00 N ATOM 1849 CA ILE A 113 5.551 -7.517 6.130 1.00 0.00 C ATOM 1850 C ILE A 113 4.626 -7.294 4.939 1.00 0.00 C ATOM 1851 O ILE A 113 3.520 -6.775 5.086 1.00 0.00 O ATOM 1852 CB ILE A 113 6.536 -6.335 6.231 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.445 -6.293 5.003 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.368 -6.439 7.499 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.408 -5.126 5.007 1.00 0.00 C ATOM 0 H ILE A 113 7.258 -8.700 5.856 1.00 0.00 H new ATOM 0 HA ILE A 113 4.959 -7.564 7.044 1.00 0.00 H new ATOM 0 HB ILE A 113 5.960 -5.411 6.271 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.012 -7.222 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.829 -6.243 4.106 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.057 -5.596 7.552 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.710 -6.425 8.368 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.934 -7.370 7.487 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.022 -5.158 4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.847 -4.192 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.049 -5.186 5.886 1.00 0.00 H new ATOM 1867 N ALA A 114 5.086 -7.693 3.757 1.00 0.00 N ATOM 1868 CA ALA A 114 4.301 -7.539 2.539 1.00 0.00 C ATOM 1869 C ALA A 114 3.085 -8.459 2.552 1.00 0.00 C ATOM 1870 O ALA A 114 1.998 -8.074 2.120 1.00 0.00 O ATOM 1871 CB ALA A 114 5.164 -7.817 1.316 1.00 0.00 C ATOM 0 H ALA A 114 5.999 -8.126 3.618 1.00 0.00 H new ATOM 0 HA ALA A 114 3.945 -6.510 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.565 -7.698 0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.998 -7.116 1.292 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.548 -8.836 1.365 1.00 0.00 H new ATOM 1877 N GLN A 115 3.274 -9.676 3.053 1.00 0.00 N ATOM 1878 CA GLN A 115 2.190 -10.649 3.123 1.00 0.00 C ATOM 1879 C GLN A 115 1.145 -10.228 4.152 1.00 0.00 C ATOM 1880 O GLN A 115 -0.051 -10.448 3.961 1.00 0.00 O ATOM 1881 CB GLN A 115 2.740 -12.033 3.476 1.00 0.00 C ATOM 1882 CG GLN A 115 3.968 -12.424 2.670 1.00 0.00 C ATOM 1883 CD GLN A 115 3.812 -13.767 1.983 1.00 0.00 C ATOM 1884 OE1 GLN A 115 3.648 -14.797 2.637 1.00 0.00 O ATOM 1885 NE2 GLN A 115 3.861 -13.762 0.656 1.00 0.00 N ATOM 0 H GLN A 115 4.166 -10.011 3.416 1.00 0.00 H new ATOM 0 HA GLN A 115 1.713 -10.693 2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.990 -12.056 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.959 -12.777 3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 115 4.165 -11.658 1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.836 -12.456 3.329 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.999 -12.885 0.154 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.761 -14.635 0.139 1.00 0.00 H new ATOM 1894 N ASP A 116 1.603 -9.620 5.241 1.00 0.00 N ATOM 1895 CA ASP A 116 0.707 -9.168 6.299 1.00 0.00 C ATOM 1896 C ASP A 116 0.083 -7.816 5.953 1.00 0.00 C ATOM 1897 O ASP A 116 -0.888 -7.393 6.582 1.00 0.00 O ATOM 1898 CB ASP A 116 1.460 -9.068 7.626 1.00 0.00 C ATOM 1899 CG ASP A 116 0.552 -8.691 8.780 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.576 -9.225 8.847 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.968 -7.862 9.617 1.00 0.00 O ATOM 0 H ASP A 116 2.590 -9.429 5.414 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.094 -9.901 6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.939 -10.023 7.841 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.254 -8.327 7.535 1.00 0.00 H new ATOM 1906 N PHE A 117 0.647 -7.138 4.956 1.00 0.00 N ATOM 1907 CA PHE A 117 0.148 -5.836 4.536 1.00 0.00 C ATOM 1908 C PHE A 117 -1.338 -5.894 4.191 1.00 0.00 C ATOM 1909 O PHE A 117 -2.119 -5.052 4.634 1.00 0.00 O ATOM 1910 CB PHE A 117 0.940 -5.340 3.326 1.00 0.00 C ATOM 1911 CG PHE A 117 0.778 -3.872 3.068 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.139 -2.945 4.029 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.263 -3.421 1.864 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.992 -1.592 3.796 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.112 -2.069 1.624 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.477 -1.153 2.591 1.00 0.00 C ATOM 0 H PHE A 117 1.451 -7.472 4.425 1.00 0.00 H new ATOM 0 HA PHE A 117 0.277 -5.143 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.997 -5.560 3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.623 -5.894 2.442 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.541 -3.283 4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.024 -4.134 1.105 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.279 -0.878 4.554 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.291 -1.729 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.360 -0.095 2.406 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.722 -6.889 3.398 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.115 -7.048 2.996 1.00 0.00 C ATOM 1928 C LEU A 118 -3.749 -8.268 3.661 1.00 0.00 C ATOM 1929 O LEU A 118 -4.743 -8.802 3.171 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.218 -7.176 1.472 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.847 -5.919 0.674 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.448 -5.983 -0.722 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.311 -4.659 1.392 1.00 0.00 C ATOM 0 H LEU A 118 -1.090 -7.596 3.022 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.658 -6.160 3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.572 -7.993 1.150 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.240 -7.458 1.217 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.761 -5.880 0.589 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.177 -5.085 -1.277 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.065 -6.861 -1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.533 -6.050 -0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.035 -3.783 0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.394 -4.688 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.837 -4.603 2.372 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.170 -8.708 4.775 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.687 -9.865 5.492 1.00 0.00 C ATOM 1947 C GLN A 119 -3.698 -11.092 4.587 1.00 0.00 C ATOM 1948 O GLN A 119 -4.710 -11.785 4.473 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.097 -9.582 6.013 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.195 -8.312 6.843 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.557 -8.137 7.483 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.686 -8.144 8.708 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.585 -7.980 6.657 1.00 0.00 N ATOM 0 H GLN A 119 -2.346 -8.281 5.198 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.033 -10.064 6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.780 -9.507 5.167 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.429 -10.427 6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.432 -8.331 7.621 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.982 -7.451 6.209 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.433 -7.980 5.648 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.526 -7.859 7.031 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.565 -11.350 3.943 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.438 -12.488 3.041 1.00 0.00 C ATOM 1964 C LEU A 120 -1.940 -13.723 3.784 1.00 0.00 C ATOM 1965 O LEU A 120 -1.157 -14.508 3.249 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.488 -12.147 1.891 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.584 -10.709 1.375 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.298 -10.303 0.670 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -2.778 -10.556 0.446 1.00 0.00 C ATOM 0 H LEU A 120 -1.720 -10.785 4.029 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.425 -12.710 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.465 -12.332 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.685 -12.828 1.063 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.726 -10.047 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.388 -9.278 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.537 -10.371 1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.120 -10.969 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -2.831 -9.528 0.088 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.667 -11.230 -0.403 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.693 -10.800 0.986 1.00 0.00 H new