USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 180:sc= -0.84 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.971 K(o=-1.8,f=0.64) USER MOD Set 2.1: A 43 TYR OH : rot 40:sc= -1.17 USER MOD Set 2.2: A 63 GLN : amide:sc= -1.5 K(o=-2.7,f=-3.2) USER MOD Set 3.1: A 40 CYS SG : rot 14:sc= 1.89! USER MOD Set 3.2: A 59 TYR OH : rot 95:sc= 0.463! USER MOD Set 4.1: A 36 MET CE :methyl -165:sc= -1.59 (180deg=-2.57!) USER MOD Set 4.2: A 76 CYS SG : rot 124:sc= -6.36! USER MOD Single : A 11 THR OG1 : rot 39:sc= -1.05 USER MOD Single : A 16 GLN : amide:sc= -4.73 K(o=-4.7,f=-7.2!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -4.64! K(o=-4.6!,f=-3) USER MOD Single : A 35 CYS SG : rot -4:sc= -2.7! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 152:sc= -1.13 (180deg=-2.26!) USER MOD Single : A 46 HIS : no HD1:sc= -0.833 X(o=-0.83,f=-0.59) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.117) USER MOD Single : A 50 MET CE :methyl -148:sc= -0.375 (180deg=-2.18!) USER MOD Single : A 51 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.3) USER MOD Single : A 53 ASN : amide:sc= -0.892 X(o=-0.89,f=-0.59) USER MOD Single : A 54 SER OG : rot 40:sc= -1.23 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.019 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.254 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -8.16! C(o=-8.2!,f=-15!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.00842 K(o=0.0084,f=-1.3) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 0.0209 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -132:sc= -0.272 (180deg=-4.96!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc=-0.00914 X(o=-0.0091,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.290 6.925 3.404 1.00 0.00 N ATOM 121 CA THR A 11 3.941 7.009 2.871 1.00 0.00 C ATOM 122 C THR A 11 2.939 7.275 3.996 1.00 0.00 C ATOM 123 O THR A 11 3.252 7.083 5.170 1.00 0.00 O ATOM 124 CB THR A 11 3.657 5.720 2.097 1.00 0.00 C ATOM 125 OG1 THR A 11 4.326 5.909 0.853 1.00 0.00 O ATOM 126 CG2 THR A 11 2.183 5.582 1.711 1.00 0.00 C ATOM 0 HA THR A 11 3.839 7.848 2.182 1.00 0.00 H new ATOM 0 HB THR A 11 3.956 4.861 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.183 6.358 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.036 4.651 1.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.570 5.574 2.612 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.892 6.423 1.081 1.00 0.00 H new ATOM 134 N ILE A 12 1.754 7.714 3.598 1.00 0.00 N ATOM 135 CA ILE A 12 0.704 8.008 4.559 1.00 0.00 C ATOM 136 C ILE A 12 -0.537 7.180 4.221 1.00 0.00 C ATOM 137 O ILE A 12 -1.102 7.314 3.136 1.00 0.00 O ATOM 138 CB ILE A 12 0.440 9.514 4.619 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.711 10.279 4.994 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.720 9.830 5.566 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.560 11.773 4.698 1.00 0.00 C ATOM 0 H ILE A 12 1.498 7.873 2.624 1.00 0.00 H new ATOM 0 HA ILE A 12 1.015 7.721 5.563 1.00 0.00 H new ATOM 0 HB ILE A 12 0.144 9.849 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.928 10.135 6.052 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.558 9.878 4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.887 10.907 5.590 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.623 9.331 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.478 9.478 6.569 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.477 12.293 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.368 11.916 3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.727 12.176 5.275 1.00 0.00 H new ATOM 153 N LEU A 13 -0.926 6.341 5.170 1.00 0.00 N ATOM 154 CA LEU A 13 -2.090 5.490 4.987 1.00 0.00 C ATOM 155 C LEU A 13 -3.130 5.819 6.059 1.00 0.00 C ATOM 156 O LEU A 13 -2.838 5.757 7.253 1.00 0.00 O ATOM 157 CB LEU A 13 -1.678 4.017 4.961 1.00 0.00 C ATOM 158 CG LEU A 13 -2.749 3.030 4.493 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.503 2.435 5.684 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.695 3.684 3.484 1.00 0.00 C ATOM 0 H LEU A 13 -0.456 6.232 6.068 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.556 5.684 4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.809 3.915 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.362 3.731 5.964 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.253 2.205 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.259 1.737 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.802 1.909 6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.986 3.235 6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.446 2.960 3.168 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.187 4.539 3.948 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.126 4.019 2.617 1.00 0.00 H new ATOM 172 N LEU A 14 -4.323 6.162 5.596 1.00 0.00 N ATOM 173 CA LEU A 14 -5.408 6.501 6.500 1.00 0.00 C ATOM 174 C LEU A 14 -6.631 5.644 6.166 1.00 0.00 C ATOM 175 O LEU A 14 -6.542 4.713 5.367 1.00 0.00 O ATOM 176 CB LEU A 14 -5.684 8.005 6.467 1.00 0.00 C ATOM 177 CG LEU A 14 -5.113 8.765 5.268 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.584 8.803 5.320 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.628 8.180 3.952 1.00 0.00 C ATOM 0 H LEU A 14 -4.562 6.212 4.606 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.130 6.274 7.529 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.763 8.157 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.282 8.448 7.378 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.462 9.796 5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.204 9.349 4.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.263 9.302 6.235 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.194 7.785 5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.207 8.739 3.116 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.329 7.134 3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.715 8.250 3.924 1.00 0.00 H new ATOM 191 N VAL A 15 -7.746 5.990 6.794 1.00 0.00 N ATOM 192 CA VAL A 15 -8.985 5.265 6.573 1.00 0.00 C ATOM 193 C VAL A 15 -10.169 6.165 6.932 1.00 0.00 C ATOM 194 O VAL A 15 -10.255 6.665 8.052 1.00 0.00 O ATOM 195 CB VAL A 15 -8.971 3.953 7.360 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.364 3.623 7.901 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.429 2.806 6.505 1.00 0.00 C ATOM 0 H VAL A 15 -7.816 6.763 7.456 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.088 4.997 5.522 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.303 4.081 8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.326 2.686 8.456 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.697 4.423 8.562 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.063 3.525 7.070 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.430 1.885 7.089 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.060 2.679 5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.411 3.036 6.191 1.00 0.00 H new ATOM 207 N GLN A 16 -11.052 6.343 5.960 1.00 0.00 N ATOM 208 CA GLN A 16 -12.226 7.174 6.160 1.00 0.00 C ATOM 209 C GLN A 16 -13.497 6.383 5.841 1.00 0.00 C ATOM 210 O GLN A 16 -13.902 6.292 4.684 1.00 0.00 O ATOM 211 CB GLN A 16 -12.147 8.448 5.315 1.00 0.00 C ATOM 212 CG GLN A 16 -13.419 9.285 5.464 1.00 0.00 C ATOM 213 CD GLN A 16 -13.527 9.873 6.873 1.00 0.00 C ATOM 214 OE1 GLN A 16 -13.045 10.956 7.160 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.184 9.100 7.733 1.00 0.00 N ATOM 0 H GLN A 16 -10.977 5.926 5.032 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.261 7.473 7.207 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.282 9.037 5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.001 8.185 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.417 10.090 4.729 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.292 8.666 5.256 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.563 8.204 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.309 9.403 8.699 1.00 0.00 H new ATOM 224 N PRO A 17 -14.106 5.816 6.917 1.00 0.00 N ATOM 225 CA PRO A 17 -15.322 5.036 6.764 1.00 0.00 C ATOM 226 C PRO A 17 -16.528 5.943 6.516 1.00 0.00 C ATOM 227 O PRO A 17 -17.318 5.697 5.605 1.00 0.00 O ATOM 228 CB PRO A 17 -15.438 4.232 8.049 1.00 0.00 C ATOM 229 CG PRO A 17 -14.545 4.932 9.061 1.00 0.00 C ATOM 230 CD PRO A 17 -13.655 5.903 8.303 1.00 0.00 C ATOM 0 HA PRO A 17 -15.291 4.375 5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.471 4.198 8.397 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.120 3.201 7.895 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.147 5.462 9.799 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.941 4.205 9.605 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.757 6.917 8.689 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.604 5.631 8.395 1.00 0.00 H new ATOM 238 N THR A 18 -16.633 6.974 7.342 1.00 0.00 N ATOM 239 CA THR A 18 -17.730 7.920 7.223 1.00 0.00 C ATOM 240 C THR A 18 -17.194 9.327 6.955 1.00 0.00 C ATOM 241 O THR A 18 -16.232 9.498 6.207 1.00 0.00 O ATOM 242 CB THR A 18 -18.576 7.823 8.494 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.716 8.306 9.522 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.864 6.376 8.898 1.00 0.00 C ATOM 0 H THR A 18 -15.976 7.175 8.096 1.00 0.00 H new ATOM 0 HA THR A 18 -18.368 7.682 6.372 1.00 0.00 H new ATOM 0 HB THR A 18 -19.517 8.351 8.343 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.186 8.279 10.381 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.467 6.365 9.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.406 5.875 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.924 5.855 9.081 1.00 0.00 H new ATOM 252 N LYS A 19 -17.839 10.301 7.581 1.00 0.00 N ATOM 253 CA LYS A 19 -17.439 11.688 7.420 1.00 0.00 C ATOM 254 C LYS A 19 -16.950 12.233 8.763 1.00 0.00 C ATOM 255 O LYS A 19 -15.995 13.006 8.813 1.00 0.00 O ATOM 256 CB LYS A 19 -18.576 12.505 6.802 1.00 0.00 C ATOM 257 CG LYS A 19 -18.448 12.557 5.278 1.00 0.00 C ATOM 258 CD LYS A 19 -17.536 13.705 4.843 1.00 0.00 C ATOM 259 CE LYS A 19 -16.200 13.175 4.318 1.00 0.00 C ATOM 260 NZ LYS A 19 -15.872 13.798 3.015 1.00 0.00 N ATOM 0 H LYS A 19 -18.636 10.156 8.201 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.605 11.765 6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.535 12.065 7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -18.563 13.517 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.049 11.612 4.911 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.434 12.682 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.029 14.292 4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -17.360 14.374 5.686 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.410 13.386 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.250 12.092 4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.963 13.428 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.618 13.575 2.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.804 14.829 3.131 1.00 0.00 H new ATOM 274 N ARG A 20 -17.628 11.808 9.820 1.00 0.00 N ATOM 275 CA ARG A 20 -17.274 12.244 11.160 1.00 0.00 C ATOM 276 C ARG A 20 -15.782 12.022 11.414 1.00 0.00 C ATOM 277 O ARG A 20 -15.168 11.149 10.803 1.00 0.00 O ATOM 278 CB ARG A 20 -18.082 11.488 12.216 1.00 0.00 C ATOM 279 CG ARG A 20 -19.585 11.681 12.000 1.00 0.00 C ATOM 280 CD ARG A 20 -20.137 12.765 12.927 1.00 0.00 C ATOM 281 NE ARG A 20 -21.238 13.492 12.256 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.019 14.397 12.861 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.825 14.693 14.153 1.00 0.00 N ATOM 284 NH2 ARG A 20 -22.994 15.007 12.173 1.00 0.00 N ATOM 0 H ARG A 20 -18.420 11.167 9.775 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.504 13.307 11.234 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -17.838 10.426 12.174 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.806 11.839 13.210 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -19.775 11.954 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.106 10.741 12.183 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.498 12.315 13.852 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.343 13.461 13.199 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.413 13.291 11.271 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -21.082 14.229 14.677 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.420 15.382 14.613 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.141 14.782 11.189 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.589 15.696 12.633 1.00 0.00 H new ATOM 298 N PRO A 21 -15.227 12.850 12.340 1.00 0.00 N ATOM 299 CA PRO A 21 -13.818 12.752 12.682 1.00 0.00 C ATOM 300 C PRO A 21 -13.551 11.530 13.563 1.00 0.00 C ATOM 301 O PRO A 21 -12.399 11.196 13.835 1.00 0.00 O ATOM 302 CB PRO A 21 -13.490 14.066 13.373 1.00 0.00 C ATOM 303 CG PRO A 21 -14.823 14.654 13.806 1.00 0.00 C ATOM 304 CD PRO A 21 -15.924 13.896 13.083 1.00 0.00 C ATOM 0 HA PRO A 21 -13.182 12.606 11.809 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.838 13.904 14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.966 14.742 12.698 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -14.946 14.567 14.886 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -14.868 15.716 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.641 13.472 13.786 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.483 14.551 12.415 1.00 0.00 H new ATOM 312 N GLU A 22 -14.636 10.897 13.986 1.00 0.00 N ATOM 313 CA GLU A 22 -14.533 9.719 14.830 1.00 0.00 C ATOM 314 C GLU A 22 -14.091 8.510 14.004 1.00 0.00 C ATOM 315 O GLU A 22 -14.923 7.721 13.557 1.00 0.00 O ATOM 316 CB GLU A 22 -15.857 9.440 15.545 1.00 0.00 C ATOM 317 CG GLU A 22 -15.752 9.761 17.038 1.00 0.00 C ATOM 318 CD GLU A 22 -16.938 9.179 17.808 1.00 0.00 C ATOM 319 OE1 GLU A 22 -17.035 7.933 17.845 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.722 9.992 18.344 1.00 0.00 O ATOM 0 H GLU A 22 -15.590 11.178 13.760 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.778 9.908 15.593 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.650 10.038 15.096 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.132 8.394 15.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.821 9.356 17.436 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.716 10.841 17.180 1.00 0.00 H new ATOM 327 N GLY A 23 -12.782 8.401 13.826 1.00 0.00 N ATOM 328 CA GLY A 23 -12.220 7.302 13.061 1.00 0.00 C ATOM 329 C GLY A 23 -11.022 7.767 12.230 1.00 0.00 C ATOM 330 O GLY A 23 -10.003 7.081 12.165 1.00 0.00 O ATOM 0 H GLY A 23 -12.095 9.056 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.911 6.505 13.737 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.983 6.884 12.404 1.00 0.00 H new ATOM 334 N ARG A 24 -11.184 8.931 11.617 1.00 0.00 N ATOM 335 CA ARG A 24 -10.129 9.496 10.794 1.00 0.00 C ATOM 336 C ARG A 24 -8.770 9.312 11.472 1.00 0.00 C ATOM 337 O ARG A 24 -8.484 9.954 12.481 1.00 0.00 O ATOM 338 CB ARG A 24 -10.367 10.986 10.541 1.00 0.00 C ATOM 339 CG ARG A 24 -11.737 11.222 9.901 1.00 0.00 C ATOM 340 CD ARG A 24 -11.816 12.615 9.274 1.00 0.00 C ATOM 341 NE ARG A 24 -13.107 13.252 9.617 1.00 0.00 N ATOM 342 CZ ARG A 24 -13.337 14.570 9.547 1.00 0.00 C ATOM 343 NH1 ARG A 24 -12.364 15.399 9.144 1.00 0.00 N ATOM 344 NH2 ARG A 24 -14.540 15.059 9.878 1.00 0.00 N ATOM 0 H ARG A 24 -12.030 9.498 11.674 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.136 8.971 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.302 11.533 11.482 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.585 11.377 9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.922 10.465 9.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.518 11.113 10.654 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.991 13.231 9.631 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.713 12.542 8.191 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.870 12.650 9.926 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.449 15.026 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.539 16.403 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.281 14.428 10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.715 16.062 9.825 1.00 0.00 H new ATOM 358 N THR A 25 -7.969 8.431 10.891 1.00 0.00 N ATOM 359 CA THR A 25 -6.647 8.154 11.427 1.00 0.00 C ATOM 360 C THR A 25 -5.650 7.920 10.290 1.00 0.00 C ATOM 361 O THR A 25 -5.997 7.339 9.264 1.00 0.00 O ATOM 362 CB THR A 25 -6.765 6.967 12.385 1.00 0.00 C ATOM 363 OG1 THR A 25 -5.414 6.645 12.706 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.295 5.708 11.696 1.00 0.00 C ATOM 0 H THR A 25 -8.210 7.900 10.054 1.00 0.00 H new ATOM 0 HA THR A 25 -6.260 9.005 11.987 1.00 0.00 H new ATOM 0 HB THR A 25 -7.424 7.232 13.212 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.397 5.886 13.325 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.359 4.896 12.421 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.285 5.907 11.286 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.619 5.422 10.890 1.00 0.00 H new ATOM 372 N TYR A 26 -4.429 8.386 10.513 1.00 0.00 N ATOM 373 CA TYR A 26 -3.379 8.235 9.520 1.00 0.00 C ATOM 374 C TYR A 26 -2.214 7.412 10.075 1.00 0.00 C ATOM 375 O TYR A 26 -2.147 7.156 11.276 1.00 0.00 O ATOM 376 CB TYR A 26 -2.886 9.650 9.210 1.00 0.00 C ATOM 377 CG TYR A 26 -3.915 10.524 8.491 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.098 10.856 9.121 1.00 0.00 C ATOM 379 CD2 TYR A 26 -3.662 10.980 7.214 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.067 11.679 8.445 1.00 0.00 C ATOM 381 CE2 TYR A 26 -4.632 11.803 6.537 1.00 0.00 C ATOM 382 CZ TYR A 26 -5.786 12.112 7.187 1.00 0.00 C ATOM 383 OH TYR A 26 -6.702 12.889 6.548 1.00 0.00 O ATOM 0 H TYR A 26 -4.144 8.868 11.366 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.757 7.721 8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.600 10.136 10.143 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.988 9.584 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -5.296 10.498 10.121 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.737 10.720 6.721 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.996 11.946 8.926 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.447 12.166 5.537 1.00 0.00 H new ATOM 0 HH TYR A 26 -6.367 13.125 5.658 1.00 0.00 H new ATOM 393 N ALA A 27 -1.325 7.022 9.174 1.00 0.00 N ATOM 394 CA ALA A 27 -0.166 6.233 9.558 1.00 0.00 C ATOM 395 C ALA A 27 1.054 6.711 8.769 1.00 0.00 C ATOM 396 O ALA A 27 0.939 7.577 7.903 1.00 0.00 O ATOM 397 CB ALA A 27 -0.462 4.749 9.334 1.00 0.00 C ATOM 0 H ALA A 27 -1.383 7.237 8.179 1.00 0.00 H new ATOM 0 HA ALA A 27 0.055 6.364 10.617 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.407 4.157 9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.319 4.454 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.685 4.577 8.281 1.00 0.00 H new ATOM 403 N ASP A 28 2.197 6.124 9.096 1.00 0.00 N ATOM 404 CA ASP A 28 3.438 6.479 8.428 1.00 0.00 C ATOM 405 C ASP A 28 4.363 5.260 8.401 1.00 0.00 C ATOM 406 O ASP A 28 4.711 4.717 9.449 1.00 0.00 O ATOM 407 CB ASP A 28 4.160 7.605 9.170 1.00 0.00 C ATOM 408 CG ASP A 28 3.250 8.709 9.714 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.521 8.416 10.685 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.306 9.820 9.145 1.00 0.00 O ATOM 0 H ASP A 28 2.289 5.406 9.814 1.00 0.00 H new ATOM 0 HA ASP A 28 3.196 6.811 7.418 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.718 7.173 10.001 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.889 8.055 8.496 1.00 0.00 H new ATOM 415 N TYR A 29 4.736 4.867 7.192 1.00 0.00 N ATOM 416 CA TYR A 29 5.614 3.723 7.015 1.00 0.00 C ATOM 417 C TYR A 29 6.894 4.124 6.279 1.00 0.00 C ATOM 418 O TYR A 29 7.083 5.293 5.946 1.00 0.00 O ATOM 419 CB TYR A 29 4.837 2.724 6.156 1.00 0.00 C ATOM 420 CG TYR A 29 3.661 2.064 6.880 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.537 2.804 7.187 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.725 0.729 7.224 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.431 2.183 7.868 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.618 0.108 7.905 1.00 0.00 C ATOM 425 CZ TYR A 29 1.526 0.866 8.193 1.00 0.00 C ATOM 426 OH TYR A 29 0.480 0.279 8.836 1.00 0.00 O ATOM 0 H TYR A 29 4.446 5.320 6.326 1.00 0.00 H new ATOM 0 HA TYR A 29 5.903 3.307 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.463 3.236 5.269 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.520 1.948 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.487 3.848 6.916 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.604 0.150 6.983 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.546 2.750 8.115 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.654 -0.936 8.181 1.00 0.00 H new ATOM 0 HH TYR A 29 0.687 -0.664 9.004 1.00 0.00 H new ATOM 436 N GLU A 30 7.740 3.131 6.046 1.00 0.00 N ATOM 437 CA GLU A 30 8.997 3.365 5.354 1.00 0.00 C ATOM 438 C GLU A 30 8.837 3.095 3.857 1.00 0.00 C ATOM 439 O GLU A 30 9.620 3.588 3.047 1.00 0.00 O ATOM 440 CB GLU A 30 10.117 2.510 5.949 1.00 0.00 C ATOM 441 CG GLU A 30 10.356 2.863 7.419 1.00 0.00 C ATOM 442 CD GLU A 30 11.091 1.733 8.142 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.338 1.720 8.053 1.00 0.00 O ATOM 444 OE2 GLU A 30 10.390 0.909 8.767 1.00 0.00 O ATOM 0 H GLU A 30 7.580 2.163 6.324 1.00 0.00 H new ATOM 0 HA GLU A 30 9.273 4.411 5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.859 1.455 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.035 2.661 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.939 3.782 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.402 3.054 7.911 1.00 0.00 H new ATOM 451 N SER A 31 7.817 2.313 3.534 1.00 0.00 N ATOM 452 CA SER A 31 7.545 1.972 2.148 1.00 0.00 C ATOM 453 C SER A 31 6.056 2.156 1.847 1.00 0.00 C ATOM 454 O SER A 31 5.282 2.530 2.727 1.00 0.00 O ATOM 455 CB SER A 31 7.975 0.537 1.840 1.00 0.00 C ATOM 456 OG SER A 31 8.948 0.483 0.800 1.00 0.00 O ATOM 0 H SER A 31 7.169 1.906 4.208 1.00 0.00 H new ATOM 0 HA SER A 31 8.124 2.641 1.511 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.382 0.079 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.102 -0.049 1.551 1.00 0.00 H new ATOM 0 HG SER A 31 9.198 -0.450 0.634 1.00 0.00 H new ATOM 462 N VAL A 32 5.700 1.886 0.600 1.00 0.00 N ATOM 463 CA VAL A 32 4.317 2.017 0.171 1.00 0.00 C ATOM 464 C VAL A 32 3.595 0.684 0.377 1.00 0.00 C ATOM 465 O VAL A 32 2.495 0.648 0.926 1.00 0.00 O ATOM 466 CB VAL A 32 4.263 2.510 -1.276 1.00 0.00 C ATOM 467 CG1 VAL A 32 2.968 2.063 -1.959 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.423 4.030 -1.345 1.00 0.00 C ATOM 0 H VAL A 32 6.345 1.577 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 32 3.799 2.763 0.774 1.00 0.00 H new ATOM 0 HB VAL A 32 5.098 2.061 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.954 2.426 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.913 0.974 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.113 2.470 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.381 4.353 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.619 4.506 -0.784 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.383 4.315 -0.915 1.00 0.00 H new ATOM 478 N ASN A 33 4.244 -0.379 -0.074 1.00 0.00 N ATOM 479 CA ASN A 33 3.678 -1.711 0.054 1.00 0.00 C ATOM 480 C ASN A 33 3.287 -1.957 1.512 1.00 0.00 C ATOM 481 O ASN A 33 2.253 -2.565 1.788 1.00 0.00 O ATOM 482 CB ASN A 33 4.692 -2.782 -0.351 1.00 0.00 C ATOM 483 CG ASN A 33 5.783 -2.933 0.712 1.00 0.00 C ATOM 484 OD1 ASN A 33 6.856 -2.359 0.623 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.450 -3.736 1.719 1.00 0.00 N ATOM 0 H ASN A 33 5.156 -0.345 -0.529 1.00 0.00 H new ATOM 0 HA ASN A 33 2.809 -1.772 -0.601 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.183 -3.735 -0.493 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.144 -2.517 -1.307 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.110 -3.902 2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.534 -4.185 1.732 1.00 0.00 H new ATOM 492 N GLU A 34 4.134 -1.472 2.408 1.00 0.00 N ATOM 493 CA GLU A 34 3.889 -1.631 3.832 1.00 0.00 C ATOM 494 C GLU A 34 2.582 -0.941 4.227 1.00 0.00 C ATOM 495 O GLU A 34 1.805 -1.480 5.013 1.00 0.00 O ATOM 496 CB GLU A 34 5.063 -1.093 4.653 1.00 0.00 C ATOM 497 CG GLU A 34 6.391 -1.658 4.146 1.00 0.00 C ATOM 498 CD GLU A 34 6.915 -2.750 5.081 1.00 0.00 C ATOM 499 OE1 GLU A 34 7.447 -2.376 6.148 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.771 -3.934 4.707 1.00 0.00 O ATOM 0 H GLU A 34 4.990 -0.969 2.176 1.00 0.00 H new ATOM 0 HA GLU A 34 3.794 -2.695 4.048 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.082 -0.005 4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.929 -1.356 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.258 -2.065 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.126 -0.857 4.069 1.00 0.00 H new ATOM 507 N CYS A 35 2.380 0.241 3.663 1.00 0.00 N ATOM 508 CA CYS A 35 1.181 1.010 3.946 1.00 0.00 C ATOM 509 C CYS A 35 -0.032 0.192 3.497 1.00 0.00 C ATOM 510 O CYS A 35 -1.024 0.098 4.218 1.00 0.00 O ATOM 511 CB CYS A 35 1.220 2.386 3.278 1.00 0.00 C ATOM 512 SG CYS A 35 2.056 3.590 4.374 1.00 0.00 S ATOM 0 H CYS A 35 3.027 0.685 3.011 1.00 0.00 H new ATOM 0 HA CYS A 35 1.113 1.201 5.017 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.746 2.322 2.326 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.206 2.723 3.060 1.00 0.00 H new ATOM 0 HG CYS A 35 2.352 3.017 5.502 1.00 0.00 H new ATOM 518 N MET A 36 0.088 -0.380 2.308 1.00 0.00 N ATOM 519 CA MET A 36 -0.986 -1.187 1.754 1.00 0.00 C ATOM 520 C MET A 36 -1.459 -2.236 2.761 1.00 0.00 C ATOM 521 O MET A 36 -2.656 -2.359 3.019 1.00 0.00 O ATOM 522 CB MET A 36 -0.497 -1.884 0.482 1.00 0.00 C ATOM 523 CG MET A 36 -0.048 -0.862 -0.565 1.00 0.00 C ATOM 524 SD MET A 36 -1.372 0.287 -0.904 1.00 0.00 S ATOM 525 CE MET A 36 -0.430 1.786 -1.129 1.00 0.00 C ATOM 0 H MET A 36 0.913 -0.301 1.713 1.00 0.00 H new ATOM 0 HA MET A 36 -1.825 -0.531 1.520 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.331 -2.550 0.724 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.295 -2.503 0.072 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.829 -0.323 -0.207 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.245 -1.373 -1.482 1.00 0.00 H new ATOM 0 HE1 MET A 36 -1.098 2.646 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.319 1.867 -0.341 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.066 1.762 -2.099 1.00 0.00 H new ATOM 535 N GLU A 37 -0.495 -2.965 3.304 1.00 0.00 N ATOM 536 CA GLU A 37 -0.799 -4.000 4.278 1.00 0.00 C ATOM 537 C GLU A 37 -1.943 -3.553 5.189 1.00 0.00 C ATOM 538 O GLU A 37 -2.987 -4.202 5.246 1.00 0.00 O ATOM 539 CB GLU A 37 0.442 -4.364 5.096 1.00 0.00 C ATOM 540 CG GLU A 37 0.806 -5.839 4.914 1.00 0.00 C ATOM 541 CD GLU A 37 1.818 -6.289 5.970 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.047 -5.498 6.909 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.339 -7.414 5.813 1.00 0.00 O ATOM 0 H GLU A 37 0.496 -2.860 3.088 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.116 -4.894 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.280 -3.738 4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.260 -4.158 6.151 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.094 -6.450 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.221 -5.995 3.918 1.00 0.00 H new ATOM 550 N GLY A 38 -1.710 -2.447 5.880 1.00 0.00 N ATOM 551 CA GLY A 38 -2.708 -1.905 6.786 1.00 0.00 C ATOM 552 C GLY A 38 -4.112 -2.024 6.189 1.00 0.00 C ATOM 553 O GLY A 38 -5.068 -2.333 6.898 1.00 0.00 O ATOM 0 H GLY A 38 -0.844 -1.911 5.831 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.667 -2.435 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.485 -0.859 6.995 1.00 0.00 H new ATOM 557 N VAL A 39 -4.191 -1.771 4.891 1.00 0.00 N ATOM 558 CA VAL A 39 -5.462 -1.846 4.190 1.00 0.00 C ATOM 559 C VAL A 39 -5.953 -3.295 4.186 1.00 0.00 C ATOM 560 O VAL A 39 -7.114 -3.562 4.492 1.00 0.00 O ATOM 561 CB VAL A 39 -5.320 -1.259 2.784 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.661 -1.272 2.047 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.737 0.155 2.837 1.00 0.00 C ATOM 0 H VAL A 39 -3.396 -1.514 4.306 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.216 -1.249 4.702 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.625 -1.887 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.533 -0.850 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.020 -2.298 1.963 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.387 -0.678 2.602 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.646 0.549 1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.396 0.799 3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.753 0.125 3.304 1.00 0.00 H new ATOM 573 N CYS A 40 -5.044 -4.193 3.836 1.00 0.00 N ATOM 574 CA CYS A 40 -5.369 -5.608 3.788 1.00 0.00 C ATOM 575 C CYS A 40 -5.659 -6.083 5.214 1.00 0.00 C ATOM 576 O CYS A 40 -6.513 -6.944 5.423 1.00 0.00 O ATOM 577 CB CYS A 40 -4.254 -6.424 3.131 1.00 0.00 C ATOM 578 SG CYS A 40 -4.503 -8.206 3.462 1.00 0.00 S ATOM 0 H CYS A 40 -4.082 -3.968 3.583 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.253 -5.759 3.168 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.245 -6.243 2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.285 -6.106 3.516 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.706 -8.399 3.916 1.00 0.00 H new ATOM 584 N LYS A 41 -4.933 -5.501 6.157 1.00 0.00 N ATOM 585 CA LYS A 41 -5.102 -5.854 7.556 1.00 0.00 C ATOM 586 C LYS A 41 -6.559 -5.624 7.963 1.00 0.00 C ATOM 587 O LYS A 41 -7.201 -6.517 8.513 1.00 0.00 O ATOM 588 CB LYS A 41 -4.094 -5.098 8.424 1.00 0.00 C ATOM 589 CG LYS A 41 -2.661 -5.361 7.957 1.00 0.00 C ATOM 590 CD LYS A 41 -2.028 -6.506 8.750 1.00 0.00 C ATOM 591 CE LYS A 41 -0.550 -6.672 8.389 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.112 -8.066 8.624 1.00 0.00 N ATOM 0 H LYS A 41 -4.226 -4.787 5.980 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.891 -6.912 7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.303 -4.029 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.203 -5.404 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.660 -5.605 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.064 -4.457 8.077 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.125 -6.311 9.818 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.562 -7.434 8.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.393 -6.407 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.055 -5.989 8.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.893 -8.161 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.243 -8.307 9.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.677 -8.711 8.036 1.00 0.00 H new ATOM 606 N MET A 42 -7.037 -4.422 7.678 1.00 0.00 N ATOM 607 CA MET A 42 -8.406 -4.064 8.007 1.00 0.00 C ATOM 608 C MET A 42 -9.350 -5.249 7.791 1.00 0.00 C ATOM 609 O MET A 42 -9.919 -5.775 8.746 1.00 0.00 O ATOM 610 CB MET A 42 -8.852 -2.890 7.133 1.00 0.00 C ATOM 611 CG MET A 42 -8.552 -1.554 7.816 1.00 0.00 C ATOM 612 SD MET A 42 -7.556 -0.531 6.745 1.00 0.00 S ATOM 613 CE MET A 42 -8.587 -0.511 5.288 1.00 0.00 C ATOM 0 H MET A 42 -6.501 -3.683 7.223 1.00 0.00 H new ATOM 0 HA MET A 42 -8.444 -3.780 9.059 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.342 -2.934 6.171 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.920 -2.968 6.931 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.484 -1.043 8.058 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.030 -1.726 8.757 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.416 0.412 4.734 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.340 -1.364 4.656 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.635 -0.569 5.583 1.00 0.00 H new ATOM 623 N TYR A 43 -9.487 -5.633 6.531 1.00 0.00 N ATOM 624 CA TYR A 43 -10.352 -6.745 6.177 1.00 0.00 C ATOM 625 C TYR A 43 -10.006 -7.990 6.996 1.00 0.00 C ATOM 626 O TYR A 43 -10.888 -8.616 7.584 1.00 0.00 O ATOM 627 CB TYR A 43 -10.086 -7.033 4.698 1.00 0.00 C ATOM 628 CG TYR A 43 -11.224 -7.773 3.994 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.440 -7.148 3.803 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.036 -9.066 3.549 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.512 -7.845 3.140 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.107 -9.763 2.886 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.292 -9.118 2.714 1.00 0.00 C ATOM 634 OH TYR A 43 -14.304 -9.776 2.088 1.00 0.00 O ATOM 0 H TYR A 43 -9.013 -5.194 5.742 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.395 -6.497 6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.905 -6.090 4.182 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.174 -7.624 4.612 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.588 -6.136 4.151 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.085 -9.555 3.698 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.468 -7.368 2.985 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.973 -10.775 2.533 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.775 -9.159 1.490 1.00 0.00 H new ATOM 644 N GLU A 44 -8.721 -8.313 7.009 1.00 0.00 N ATOM 645 CA GLU A 44 -8.248 -9.473 7.747 1.00 0.00 C ATOM 646 C GLU A 44 -8.877 -9.507 9.141 1.00 0.00 C ATOM 647 O GLU A 44 -9.387 -10.540 9.571 1.00 0.00 O ATOM 648 CB GLU A 44 -6.721 -9.482 7.833 1.00 0.00 C ATOM 649 CG GLU A 44 -6.098 -9.863 6.489 1.00 0.00 C ATOM 650 CD GLU A 44 -4.914 -10.812 6.682 1.00 0.00 C ATOM 651 OE1 GLU A 44 -4.659 -11.170 7.853 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.290 -11.159 5.656 1.00 0.00 O ATOM 0 H GLU A 44 -7.993 -7.792 6.521 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.554 -10.371 7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.365 -8.498 8.137 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.401 -10.188 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.849 -10.337 5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.767 -8.964 5.970 1.00 0.00 H new ATOM 659 N GLU A 45 -8.819 -8.364 9.810 1.00 0.00 N ATOM 660 CA GLU A 45 -9.376 -8.251 11.147 1.00 0.00 C ATOM 661 C GLU A 45 -10.800 -8.809 11.178 1.00 0.00 C ATOM 662 O GLU A 45 -11.060 -9.821 11.826 1.00 0.00 O ATOM 663 CB GLU A 45 -9.345 -6.800 11.633 1.00 0.00 C ATOM 664 CG GLU A 45 -7.914 -6.259 11.652 1.00 0.00 C ATOM 665 CD GLU A 45 -7.229 -6.568 12.985 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.794 -7.729 13.145 1.00 0.00 O ATOM 667 OE2 GLU A 45 -7.157 -5.636 13.815 1.00 0.00 O ATOM 0 H GLU A 45 -8.395 -7.509 9.451 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.761 -8.841 11.827 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.963 -6.181 10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.774 -6.738 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.344 -6.701 10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.926 -5.182 11.486 1.00 0.00 H new ATOM 674 N HIS A 46 -11.686 -8.123 10.469 1.00 0.00 N ATOM 675 CA HIS A 46 -13.077 -8.538 10.407 1.00 0.00 C ATOM 676 C HIS A 46 -13.156 -10.008 9.993 1.00 0.00 C ATOM 677 O HIS A 46 -14.166 -10.670 10.230 1.00 0.00 O ATOM 678 CB HIS A 46 -13.877 -7.617 9.484 1.00 0.00 C ATOM 679 CG HIS A 46 -15.044 -8.293 8.804 1.00 0.00 C ATOM 680 ND1 HIS A 46 -16.322 -8.296 9.335 1.00 0.00 N ATOM 681 CD2 HIS A 46 -15.112 -8.988 7.632 1.00 0.00 C ATOM 682 CE1 HIS A 46 -17.116 -8.964 8.511 1.00 0.00 C ATOM 683 NE2 HIS A 46 -16.364 -9.393 7.457 1.00 0.00 N ATOM 0 H HIS A 46 -11.467 -7.283 9.933 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.531 -8.451 11.394 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -14.247 -6.771 10.063 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -13.210 -7.214 8.722 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -14.287 -9.177 6.961 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -18.173 -9.138 8.650 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.707 -9.936 6.665 1.00 0.00 H new ATOM 691 N LEU A 47 -12.079 -10.476 9.380 1.00 0.00 N ATOM 692 CA LEU A 47 -12.014 -11.857 8.931 1.00 0.00 C ATOM 693 C LEU A 47 -11.638 -12.756 10.110 1.00 0.00 C ATOM 694 O LEU A 47 -12.296 -13.764 10.361 1.00 0.00 O ATOM 695 CB LEU A 47 -11.070 -11.986 7.734 1.00 0.00 C ATOM 696 CG LEU A 47 -11.738 -12.112 6.363 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.721 -10.964 6.125 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.692 -12.211 5.250 1.00 0.00 C ATOM 0 H LEU A 47 -11.244 -9.924 9.184 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.990 -12.189 8.576 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.415 -11.115 7.718 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.436 -12.859 7.889 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.313 -13.038 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.182 -11.077 5.144 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.494 -10.982 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.188 -10.014 6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.193 -12.300 4.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.070 -11.316 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.066 -13.088 5.416 1.00 0.00 H new ATOM 710 N LYS A 48 -10.581 -12.358 10.803 1.00 0.00 N ATOM 711 CA LYS A 48 -10.110 -13.115 11.950 1.00 0.00 C ATOM 712 C LYS A 48 -11.312 -13.652 12.730 1.00 0.00 C ATOM 713 O LYS A 48 -11.481 -14.863 12.862 1.00 0.00 O ATOM 714 CB LYS A 48 -9.156 -12.269 12.796 1.00 0.00 C ATOM 715 CG LYS A 48 -7.932 -13.083 13.221 1.00 0.00 C ATOM 716 CD LYS A 48 -6.636 -12.374 12.821 1.00 0.00 C ATOM 717 CE LYS A 48 -6.285 -12.657 11.359 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.860 -12.353 11.100 1.00 0.00 N ATOM 0 H LYS A 48 -10.038 -11.521 10.592 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.530 -13.978 11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.837 -11.396 12.227 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.677 -11.901 13.680 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.949 -13.236 14.300 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.969 -14.070 12.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.744 -11.300 12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.822 -12.706 13.465 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.488 -13.702 11.126 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.916 -12.056 10.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.697 -12.303 10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.615 -11.440 11.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.265 -13.102 11.509 1.00 0.00 H new ATOM 732 N ARG A 49 -12.117 -12.723 13.227 1.00 0.00 N ATOM 733 CA ARG A 49 -13.298 -13.088 13.991 1.00 0.00 C ATOM 734 C ARG A 49 -14.121 -14.130 13.230 1.00 0.00 C ATOM 735 O ARG A 49 -14.627 -15.080 13.824 1.00 0.00 O ATOM 736 CB ARG A 49 -14.172 -11.864 14.271 1.00 0.00 C ATOM 737 CG ARG A 49 -14.243 -10.949 13.046 1.00 0.00 C ATOM 738 CD ARG A 49 -15.690 -10.766 12.583 1.00 0.00 C ATOM 739 NE ARG A 49 -16.050 -9.331 12.603 1.00 0.00 N ATOM 740 CZ ARG A 49 -16.397 -8.659 13.709 1.00 0.00 C ATOM 741 NH1 ARG A 49 -16.433 -9.288 14.892 1.00 0.00 N ATOM 742 NH2 ARG A 49 -16.708 -7.358 13.633 1.00 0.00 N ATOM 0 H ARG A 49 -11.974 -11.719 13.115 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.963 -13.507 14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.176 -12.185 14.548 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.769 -11.311 15.119 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.809 -9.979 13.286 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.649 -11.372 12.236 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.812 -11.166 11.576 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.362 -11.327 13.232 1.00 0.00 H new ATOM 0 HE ARG A 49 -16.033 -8.821 11.720 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.196 -10.278 14.950 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.697 -8.776 15.734 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.681 -6.879 12.733 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.972 -6.847 14.475 1.00 0.00 H new ATOM 756 N MET A 50 -14.229 -13.916 11.927 1.00 0.00 N ATOM 757 CA MET A 50 -14.982 -14.825 11.079 1.00 0.00 C ATOM 758 C MET A 50 -14.263 -16.168 10.941 1.00 0.00 C ATOM 759 O MET A 50 -14.894 -17.222 10.990 1.00 0.00 O ATOM 760 CB MET A 50 -15.165 -14.199 9.695 1.00 0.00 C ATOM 761 CG MET A 50 -16.141 -13.022 9.751 1.00 0.00 C ATOM 762 SD MET A 50 -17.539 -13.337 8.687 1.00 0.00 S ATOM 763 CE MET A 50 -16.688 -13.756 7.174 1.00 0.00 C ATOM 0 H MET A 50 -13.808 -13.126 11.438 1.00 0.00 H new ATOM 0 HA MET A 50 -15.954 -15.000 11.539 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.201 -13.859 9.315 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.536 -14.951 8.998 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.480 -12.869 10.775 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.637 -12.106 9.442 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.286 -13.438 6.320 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.722 -13.252 7.149 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.536 -14.834 7.129 1.00 0.00 H new ATOM 773 N ASN A 51 -12.951 -16.086 10.771 1.00 0.00 N ATOM 774 CA ASN A 51 -12.139 -17.282 10.626 1.00 0.00 C ATOM 775 C ASN A 51 -11.186 -17.395 11.817 1.00 0.00 C ATOM 776 O ASN A 51 -10.128 -16.767 11.832 1.00 0.00 O ATOM 777 CB ASN A 51 -11.297 -17.224 9.350 1.00 0.00 C ATOM 778 CG ASN A 51 -12.170 -16.925 8.130 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.432 -17.777 7.297 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.604 -15.669 8.070 1.00 0.00 N ATOM 0 H ASN A 51 -12.431 -15.210 10.730 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.809 -18.140 10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.531 -16.455 9.450 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.780 -18.173 9.208 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.193 -15.370 7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.348 -15.005 8.801 1.00 0.00 H new ATOM 787 N PRO A 52 -11.605 -18.220 12.813 1.00 0.00 N ATOM 788 CA PRO A 52 -10.801 -18.423 14.006 1.00 0.00 C ATOM 789 C PRO A 52 -9.604 -19.329 13.712 1.00 0.00 C ATOM 790 O PRO A 52 -8.474 -19.011 14.082 1.00 0.00 O ATOM 791 CB PRO A 52 -11.756 -19.014 15.029 1.00 0.00 C ATOM 792 CG PRO A 52 -12.937 -19.551 14.236 1.00 0.00 C ATOM 793 CD PRO A 52 -12.852 -18.979 12.830 1.00 0.00 C ATOM 0 HA PRO A 52 -10.362 -17.498 14.380 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.275 -19.809 15.599 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.078 -18.258 15.745 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.914 -20.640 14.207 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -13.876 -19.264 14.709 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -12.844 -19.770 12.080 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -13.707 -18.340 12.610 1.00 0.00 H new ATOM 801 N ASN A 53 -9.891 -20.440 13.050 1.00 0.00 N ATOM 802 CA ASN A 53 -8.852 -21.394 12.703 1.00 0.00 C ATOM 803 C ASN A 53 -7.858 -20.733 11.746 1.00 0.00 C ATOM 804 O ASN A 53 -6.667 -21.043 11.771 1.00 0.00 O ATOM 805 CB ASN A 53 -9.442 -22.618 12.000 1.00 0.00 C ATOM 806 CG ASN A 53 -10.218 -22.210 10.746 1.00 0.00 C ATOM 807 OD1 ASN A 53 -9.682 -22.121 9.654 1.00 0.00 O ATOM 808 ND2 ASN A 53 -11.508 -21.967 10.964 1.00 0.00 N ATOM 0 H ASN A 53 -10.829 -20.701 12.745 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.361 -21.708 13.624 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.642 -23.307 11.729 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.103 -23.151 12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.112 -21.687 10.191 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.893 -22.061 11.904 1.00 0.00 H new ATOM 815 N SER A 54 -8.382 -19.835 10.926 1.00 0.00 N ATOM 816 CA SER A 54 -7.555 -19.127 9.963 1.00 0.00 C ATOM 817 C SER A 54 -6.233 -18.715 10.612 1.00 0.00 C ATOM 818 O SER A 54 -6.187 -17.758 11.383 1.00 0.00 O ATOM 819 CB SER A 54 -8.281 -17.899 9.411 1.00 0.00 C ATOM 820 OG SER A 54 -8.863 -18.151 8.135 1.00 0.00 O ATOM 0 H SER A 54 -9.370 -19.581 10.908 1.00 0.00 H new ATOM 0 HA SER A 54 -7.349 -19.799 9.130 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.059 -17.593 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.580 -17.068 9.332 1.00 0.00 H new ATOM 0 HG SER A 54 -9.251 -19.051 8.124 1.00 0.00 H new ATOM 826 N PRO A 55 -5.161 -19.478 10.267 1.00 0.00 N ATOM 827 CA PRO A 55 -3.841 -19.202 10.808 1.00 0.00 C ATOM 828 C PRO A 55 -3.222 -17.972 10.143 1.00 0.00 C ATOM 829 O PRO A 55 -2.666 -17.109 10.820 1.00 0.00 O ATOM 830 CB PRO A 55 -3.043 -20.473 10.565 1.00 0.00 C ATOM 831 CG PRO A 55 -3.796 -21.239 9.490 1.00 0.00 C ATOM 832 CD PRO A 55 -5.177 -20.620 9.357 1.00 0.00 C ATOM 0 HA PRO A 55 -3.864 -18.959 11.870 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.028 -20.241 10.241 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.959 -21.062 11.478 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.262 -21.189 8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.874 -22.293 9.756 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.373 -20.306 8.332 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -5.957 -21.331 9.628 1.00 0.00 H new ATOM 840 N SER A 56 -3.340 -17.930 8.824 1.00 0.00 N ATOM 841 CA SER A 56 -2.799 -16.819 8.059 1.00 0.00 C ATOM 842 C SER A 56 -3.917 -16.131 7.273 1.00 0.00 C ATOM 843 O SER A 56 -3.669 -15.171 6.545 1.00 0.00 O ATOM 844 CB SER A 56 -1.695 -17.289 7.110 1.00 0.00 C ATOM 845 OG SER A 56 -0.568 -17.802 7.815 1.00 0.00 O ATOM 0 H SER A 56 -3.802 -18.647 8.265 1.00 0.00 H new ATOM 0 HA SER A 56 -2.361 -16.105 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.090 -18.059 6.448 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.380 -16.457 6.480 1.00 0.00 H new ATOM 0 HG SER A 56 0.114 -18.093 7.174 1.00 0.00 H new ATOM 851 N ILE A 57 -5.124 -16.648 7.448 1.00 0.00 N ATOM 852 CA ILE A 57 -6.281 -16.096 6.764 1.00 0.00 C ATOM 853 C ILE A 57 -6.150 -16.351 5.261 1.00 0.00 C ATOM 854 O ILE A 57 -5.086 -16.744 4.785 1.00 0.00 O ATOM 855 CB ILE A 57 -6.462 -14.620 7.124 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.641 -14.441 8.632 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.614 -13.999 6.331 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.011 -13.839 8.954 1.00 0.00 C ATOM 0 H ILE A 57 -5.326 -17.443 8.054 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.192 -16.595 7.094 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.554 -14.086 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.537 -15.404 9.131 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.855 -13.794 9.021 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.721 -12.950 6.606 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.404 -14.075 5.264 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.539 -14.529 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.113 -13.722 10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.103 -12.865 8.473 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.795 -14.501 8.585 1.00 0.00 H new ATOM 870 N THR A 58 -7.247 -16.117 4.556 1.00 0.00 N ATOM 871 CA THR A 58 -7.268 -16.317 3.117 1.00 0.00 C ATOM 872 C THR A 58 -8.620 -15.895 2.539 1.00 0.00 C ATOM 873 O THR A 58 -9.668 -16.254 3.075 1.00 0.00 O ATOM 874 CB THR A 58 -6.919 -17.780 2.837 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.190 -17.736 1.614 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.151 -18.624 2.506 1.00 0.00 C ATOM 0 H THR A 58 -8.128 -15.791 4.954 1.00 0.00 H new ATOM 0 HA THR A 58 -6.527 -15.690 2.621 1.00 0.00 H new ATOM 0 HB THR A 58 -6.412 -18.203 3.704 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.923 -18.644 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.847 -19.653 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.845 -18.600 3.346 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.641 -18.221 1.620 1.00 0.00 H new ATOM 884 N TYR A 59 -8.554 -15.137 1.454 1.00 0.00 N ATOM 885 CA TYR A 59 -9.760 -14.661 0.798 1.00 0.00 C ATOM 886 C TYR A 59 -9.423 -13.916 -0.495 1.00 0.00 C ATOM 887 O TYR A 59 -8.310 -13.419 -0.657 1.00 0.00 O ATOM 888 CB TYR A 59 -10.417 -13.687 1.778 1.00 0.00 C ATOM 889 CG TYR A 59 -9.471 -12.610 2.313 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.722 -12.851 3.448 1.00 0.00 C ATOM 891 CD2 TYR A 59 -9.366 -11.398 1.662 1.00 0.00 C ATOM 892 CE1 TYR A 59 -7.832 -11.837 3.951 1.00 0.00 C ATOM 893 CE2 TYR A 59 -8.476 -10.385 2.165 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.753 -10.654 3.285 1.00 0.00 C ATOM 895 OH TYR A 59 -6.912 -9.697 3.760 1.00 0.00 O ATOM 0 H TYR A 59 -7.683 -14.841 1.013 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.411 -15.496 0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.259 -13.203 1.284 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.822 -14.251 2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.804 -13.799 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.952 -11.209 0.775 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.240 -12.012 4.837 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.384 -9.433 1.664 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.051 -9.758 3.295 1.00 0.00 H new ATOM 905 N ASP A 60 -10.406 -13.861 -1.381 1.00 0.00 N ATOM 906 CA ASP A 60 -10.228 -13.185 -2.655 1.00 0.00 C ATOM 907 C ASP A 60 -9.954 -11.701 -2.405 1.00 0.00 C ATOM 908 O ASP A 60 -10.350 -11.157 -1.375 1.00 0.00 O ATOM 909 CB ASP A 60 -11.487 -13.295 -3.517 1.00 0.00 C ATOM 910 CG ASP A 60 -11.630 -14.608 -4.289 1.00 0.00 C ATOM 911 OD1 ASP A 60 -10.599 -15.065 -4.828 1.00 0.00 O ATOM 912 OD2 ASP A 60 -12.768 -15.126 -4.322 1.00 0.00 O ATOM 0 H ASP A 60 -11.329 -14.273 -1.242 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.394 -13.657 -3.174 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.360 -13.171 -2.876 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.495 -12.470 -4.229 1.00 0.00 H new ATOM 917 N ILE A 61 -9.278 -11.087 -3.365 1.00 0.00 N ATOM 918 CA ILE A 61 -8.946 -9.676 -3.263 1.00 0.00 C ATOM 919 C ILE A 61 -10.213 -8.842 -3.468 1.00 0.00 C ATOM 920 O ILE A 61 -10.483 -7.918 -2.702 1.00 0.00 O ATOM 921 CB ILE A 61 -7.813 -9.320 -4.227 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.453 -9.413 -3.533 1.00 0.00 C ATOM 923 CG2 ILE A 61 -8.042 -7.945 -4.859 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.318 -9.073 -4.502 1.00 0.00 C ATOM 0 H ILE A 61 -8.951 -11.541 -4.218 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.569 -9.445 -2.267 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.811 -10.050 -5.037 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.427 -8.731 -2.683 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.310 -10.419 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.222 -7.716 -5.540 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.982 -7.950 -5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.086 -7.188 -4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.362 -9.147 -3.983 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.332 -9.772 -5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.451 -8.058 -4.876 1.00 0.00 H new ATOM 936 N SER A 62 -10.956 -9.199 -4.505 1.00 0.00 N ATOM 937 CA SER A 62 -12.187 -8.495 -4.821 1.00 0.00 C ATOM 938 C SER A 62 -13.089 -8.439 -3.586 1.00 0.00 C ATOM 939 O SER A 62 -13.905 -7.529 -3.449 1.00 0.00 O ATOM 940 CB SER A 62 -12.922 -9.164 -5.984 1.00 0.00 C ATOM 941 OG SER A 62 -13.304 -10.502 -5.676 1.00 0.00 O ATOM 0 H SER A 62 -10.729 -9.967 -5.137 1.00 0.00 H new ATOM 0 HA SER A 62 -11.932 -7.480 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.809 -8.582 -6.235 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.281 -9.164 -6.866 1.00 0.00 H new ATOM 0 HG SER A 62 -13.772 -10.893 -6.443 1.00 0.00 H new ATOM 947 N GLN A 63 -12.912 -9.424 -2.718 1.00 0.00 N ATOM 948 CA GLN A 63 -13.699 -9.499 -1.499 1.00 0.00 C ATOM 949 C GLN A 63 -13.257 -8.415 -0.514 1.00 0.00 C ATOM 950 O GLN A 63 -14.091 -7.766 0.116 1.00 0.00 O ATOM 951 CB GLN A 63 -13.600 -10.888 -0.866 1.00 0.00 C ATOM 952 CG GLN A 63 -14.987 -11.437 -0.527 1.00 0.00 C ATOM 953 CD GLN A 63 -14.990 -12.109 0.847 1.00 0.00 C ATOM 954 OE1 GLN A 63 -14.022 -12.718 1.272 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.130 -11.965 1.517 1.00 0.00 N ATOM 0 H GLN A 63 -12.234 -10.177 -2.835 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.745 -9.326 -1.754 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.093 -11.568 -1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -12.994 -10.837 0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -15.716 -10.627 -0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.294 -12.155 -1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.902 -11.443 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.232 -12.377 2.445 1.00 0.00 H new ATOM 964 N LEU A 64 -11.946 -8.252 -0.413 1.00 0.00 N ATOM 965 CA LEU A 64 -11.383 -7.257 0.485 1.00 0.00 C ATOM 966 C LEU A 64 -11.653 -5.859 -0.076 1.00 0.00 C ATOM 967 O LEU A 64 -11.910 -4.923 0.679 1.00 0.00 O ATOM 968 CB LEU A 64 -9.902 -7.542 0.739 1.00 0.00 C ATOM 969 CG LEU A 64 -8.974 -6.326 0.732 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.309 -5.374 1.882 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.506 -6.756 0.754 1.00 0.00 C ATOM 0 H LEU A 64 -11.258 -8.792 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.866 -7.308 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.809 -8.040 1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.553 -8.245 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.135 -5.779 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.635 -4.518 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.338 -5.029 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.193 -5.896 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.868 -5.872 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.311 -7.339 1.654 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.292 -7.364 -0.125 1.00 0.00 H new ATOM 983 N PHE A 65 -11.586 -5.763 -1.395 1.00 0.00 N ATOM 984 CA PHE A 65 -11.820 -4.495 -2.066 1.00 0.00 C ATOM 985 C PHE A 65 -13.308 -4.136 -2.055 1.00 0.00 C ATOM 986 O PHE A 65 -13.667 -2.965 -2.163 1.00 0.00 O ATOM 987 CB PHE A 65 -11.359 -4.664 -3.515 1.00 0.00 C ATOM 988 CG PHE A 65 -9.841 -4.763 -3.677 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.031 -4.622 -2.594 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.302 -4.992 -4.904 1.00 0.00 C ATOM 991 CE1 PHE A 65 -7.622 -4.714 -2.745 1.00 0.00 C ATOM 992 CE2 PHE A 65 -7.893 -5.084 -5.055 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.082 -4.943 -3.972 1.00 0.00 C ATOM 0 H PHE A 65 -11.373 -6.542 -2.018 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.277 -3.698 -1.557 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -11.818 -5.562 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.723 -3.821 -4.102 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.459 -4.440 -1.619 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.946 -5.104 -5.764 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.979 -4.602 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.465 -5.266 -6.030 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.010 -5.013 -4.086 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.131 -5.165 -1.924 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.571 -4.972 -1.898 1.00 0.00 C ATOM 1005 C ASP A 66 -15.947 -4.134 -0.674 1.00 0.00 C ATOM 1006 O ASP A 66 -17.011 -3.518 -0.643 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.305 -6.311 -1.797 1.00 0.00 C ATOM 1008 CG ASP A 66 -16.765 -6.899 -3.133 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -16.947 -6.096 -4.074 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -16.924 -8.137 -3.184 1.00 0.00 O ATOM 0 H ASP A 66 -13.829 -6.135 -1.835 1.00 0.00 H new ATOM 0 HA ASP A 66 -15.860 -4.471 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.650 -7.031 -1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.176 -6.183 -1.154 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.053 -4.139 0.304 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.278 -3.387 1.526 1.00 0.00 C ATOM 1017 C PHE A 67 -14.595 -2.020 1.462 1.00 0.00 C ATOM 1018 O PHE A 67 -14.949 -1.109 2.210 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.663 -4.198 2.669 1.00 0.00 C ATOM 1020 CG PHE A 67 -14.010 -3.343 3.758 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.765 -2.839 4.770 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.675 -3.088 3.712 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -14.159 -2.045 5.780 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -12.070 -2.295 4.722 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.824 -1.790 5.735 1.00 0.00 C ATOM 0 H PHE A 67 -14.172 -4.652 0.275 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.346 -3.223 1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.439 -4.814 3.122 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -13.916 -4.877 2.258 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.825 -3.042 4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.076 -3.488 2.908 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.759 -1.644 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.010 -2.092 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.363 -1.187 6.503 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.628 -1.918 0.562 1.00 0.00 N ATOM 1036 CA ILE A 68 -12.893 -0.677 0.390 1.00 0.00 C ATOM 1037 C ILE A 68 -13.836 0.399 -0.150 1.00 0.00 C ATOM 1038 O ILE A 68 -13.682 1.579 0.162 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.655 -0.904 -0.480 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.508 -1.496 0.341 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.243 0.386 -1.194 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.375 -1.979 -0.567 1.00 0.00 C ATOM 0 H ILE A 68 -13.337 -2.675 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.519 -0.320 1.349 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.908 -1.632 -1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.128 -0.746 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.877 -2.328 0.941 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.361 0.197 -1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.060 0.726 -1.830 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.015 1.154 -0.455 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.573 -2.395 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.752 -2.746 -1.243 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.992 -1.140 -1.148 1.00 0.00 H new ATOM 1054 N ASP A 69 -14.792 -0.045 -0.952 1.00 0.00 N ATOM 1055 CA ASP A 69 -15.761 0.865 -1.539 1.00 0.00 C ATOM 1056 C ASP A 69 -16.797 1.251 -0.482 1.00 0.00 C ATOM 1057 O ASP A 69 -17.497 2.252 -0.631 1.00 0.00 O ATOM 1058 CB ASP A 69 -16.499 0.207 -2.707 1.00 0.00 C ATOM 1059 CG ASP A 69 -15.757 0.244 -4.044 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -15.852 1.293 -4.717 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -15.111 -0.778 -4.364 1.00 0.00 O ATOM 0 H ASP A 69 -14.917 -1.024 -1.210 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.224 1.742 -1.901 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.701 -0.833 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.464 0.699 -2.830 1.00 0.00 H new ATOM 1066 N ASP A 70 -16.862 0.438 0.561 1.00 0.00 N ATOM 1067 CA ASP A 70 -17.802 0.682 1.643 1.00 0.00 C ATOM 1068 C ASP A 70 -17.328 1.884 2.463 1.00 0.00 C ATOM 1069 O ASP A 70 -18.115 2.500 3.179 1.00 0.00 O ATOM 1070 CB ASP A 70 -17.889 -0.525 2.579 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.215 -0.668 3.328 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.219 -0.977 2.650 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.196 -0.465 4.561 1.00 0.00 O ATOM 0 H ASP A 70 -16.279 -0.391 0.681 1.00 0.00 H new ATOM 0 HA ASP A 70 -18.782 0.869 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -17.719 -1.430 1.997 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.082 -0.459 3.309 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.043 2.180 2.331 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.455 3.297 3.050 1.00 0.00 C ATOM 1080 C LEU A 71 -15.958 4.609 2.446 1.00 0.00 C ATOM 1081 O LEU A 71 -16.452 4.629 1.319 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.930 3.175 3.074 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.364 1.983 3.849 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.872 1.800 3.560 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.646 2.119 5.346 1.00 0.00 C ATOM 0 H LEU A 71 -15.393 1.665 1.737 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.769 3.286 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.574 3.116 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.519 4.089 3.502 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.871 1.081 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.494 0.946 4.123 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.727 1.625 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.331 2.698 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.233 1.259 5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.183 3.032 5.722 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.723 2.163 5.511 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.815 5.674 3.221 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.248 6.987 2.776 1.00 0.00 C ATOM 1099 C ALA A 72 -15.316 7.479 1.667 1.00 0.00 C ATOM 1100 O ALA A 72 -15.769 8.068 0.687 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.288 7.943 3.970 1.00 0.00 C ATOM 0 H ALA A 72 -15.405 5.654 4.155 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.255 6.939 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.613 8.928 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.986 7.564 4.716 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.293 8.018 4.409 1.00 0.00 H new ATOM 1107 N ASP A 73 -14.032 7.218 1.858 1.00 0.00 N ATOM 1108 CA ASP A 73 -13.032 7.626 0.886 1.00 0.00 C ATOM 1109 C ASP A 73 -11.642 7.246 1.400 1.00 0.00 C ATOM 1110 O ASP A 73 -11.102 7.905 2.287 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.059 9.141 0.672 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.097 9.660 -0.399 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -12.445 9.519 -1.591 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.035 10.185 -0.001 1.00 0.00 O ATOM 0 H ASP A 73 -13.660 6.729 2.672 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.253 7.124 -0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.073 9.437 0.402 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.825 9.631 1.617 1.00 0.00 H new ATOM 1119 N LEU A 74 -11.102 6.184 0.820 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.785 5.707 1.208 1.00 0.00 C ATOM 1121 C LEU A 74 -8.748 6.217 0.206 1.00 0.00 C ATOM 1122 O LEU A 74 -8.902 6.034 -1.001 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.791 4.186 1.366 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.424 3.526 1.557 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -8.201 3.139 3.020 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.256 2.331 0.616 1.00 0.00 C ATOM 0 H LEU A 74 -11.553 5.640 0.084 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.508 6.104 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.418 3.932 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -10.262 3.751 0.485 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.655 4.253 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.222 2.672 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -8.248 4.032 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.974 2.437 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.276 1.880 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.032 1.594 0.822 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.340 2.667 -0.417 1.00 0.00 H new ATOM 1138 N SER A 75 -7.714 6.848 0.743 1.00 0.00 N ATOM 1139 CA SER A 75 -6.651 7.386 -0.089 1.00 0.00 C ATOM 1140 C SER A 75 -5.293 7.133 0.568 1.00 0.00 C ATOM 1141 O SER A 75 -5.223 6.570 1.659 1.00 0.00 O ATOM 1142 CB SER A 75 -6.850 8.882 -0.338 1.00 0.00 C ATOM 1143 OG SER A 75 -8.129 9.165 -0.900 1.00 0.00 O ATOM 0 H SER A 75 -7.590 6.999 1.744 1.00 0.00 H new ATOM 0 HA SER A 75 -6.681 6.878 -1.053 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.739 9.424 0.601 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.071 9.244 -1.009 1.00 0.00 H new ATOM 0 HG SER A 75 -8.217 10.131 -1.042 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.247 7.563 -0.123 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.895 7.390 0.380 1.00 0.00 C ATOM 1151 C CYS A 76 -2.006 8.460 -0.256 1.00 0.00 C ATOM 1152 O CYS A 76 -2.212 8.839 -1.408 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.369 5.978 0.114 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.463 5.601 -1.674 1.00 0.00 S ATOM 0 H CYS A 76 -4.309 8.031 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.889 7.511 1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.338 5.894 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.953 5.251 0.678 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.284 5.270 -2.110 1.00 0.00 H new ATOM 1160 N LEU A 77 -1.035 8.916 0.522 1.00 0.00 N ATOM 1161 CA LEU A 77 -0.113 9.935 0.049 1.00 0.00 C ATOM 1162 C LEU A 77 1.294 9.342 -0.038 1.00 0.00 C ATOM 1163 O LEU A 77 1.742 8.659 0.882 1.00 0.00 O ATOM 1164 CB LEU A 77 -0.201 11.186 0.926 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.553 11.901 0.941 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -2.084 12.100 -0.480 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.556 11.160 1.829 1.00 0.00 C ATOM 0 H LEU A 77 -0.867 8.599 1.477 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.385 10.259 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.051 10.907 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.558 11.894 0.592 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.410 12.891 1.373 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.046 12.610 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.377 12.701 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.207 11.130 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.509 11.689 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.700 10.148 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.174 11.114 2.849 1.00 0.00 H new ATOM 1179 N VAL A 78 1.953 9.625 -1.152 1.00 0.00 N ATOM 1180 CA VAL A 78 3.301 9.128 -1.371 1.00 0.00 C ATOM 1181 C VAL A 78 4.241 10.309 -1.621 1.00 0.00 C ATOM 1182 O VAL A 78 3.885 11.251 -2.327 1.00 0.00 O ATOM 1183 CB VAL A 78 3.304 8.109 -2.513 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.707 7.540 -2.735 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.293 6.991 -2.252 1.00 0.00 C ATOM 0 H VAL A 78 1.579 10.192 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 78 3.664 8.605 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 78 3.004 8.625 -3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.682 6.818 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.392 8.349 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.048 7.046 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.315 6.280 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.549 6.478 -1.325 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.293 7.417 -2.166 1.00 0.00 H new ATOM 1195 N TYR A 79 5.423 10.219 -1.028 1.00 0.00 N ATOM 1196 CA TYR A 79 6.416 11.269 -1.178 1.00 0.00 C ATOM 1197 C TYR A 79 7.324 10.998 -2.379 1.00 0.00 C ATOM 1198 O TYR A 79 7.865 9.902 -2.518 1.00 0.00 O ATOM 1199 CB TYR A 79 7.258 11.238 0.100 1.00 0.00 C ATOM 1200 CG TYR A 79 8.577 12.006 -0.006 1.00 0.00 C ATOM 1201 CD1 TYR A 79 8.575 13.386 0.013 1.00 0.00 C ATOM 1202 CD2 TYR A 79 9.768 11.319 -0.119 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.817 14.109 -0.086 1.00 0.00 C ATOM 1204 CE2 TYR A 79 11.010 12.041 -0.218 1.00 0.00 C ATOM 1205 CZ TYR A 79 10.973 13.401 -0.197 1.00 0.00 C ATOM 1206 OH TYR A 79 12.145 14.084 -0.290 1.00 0.00 O ATOM 0 H TYR A 79 5.715 9.436 -0.443 1.00 0.00 H new ATOM 0 HA TYR A 79 5.934 12.233 -1.338 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.672 11.654 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.473 10.201 0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.643 13.924 0.102 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.769 10.239 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.830 15.189 -0.072 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.949 11.515 -0.307 1.00 0.00 H new ATOM 0 HH TYR A 79 12.888 13.450 -0.363 1.00 0.00 H new ATOM 1216 N ARG A 80 7.463 12.015 -3.217 1.00 0.00 N ATOM 1217 CA ARG A 80 8.295 11.900 -4.402 1.00 0.00 C ATOM 1218 C ARG A 80 9.358 13.000 -4.413 1.00 0.00 C ATOM 1219 O ARG A 80 9.055 14.158 -4.696 1.00 0.00 O ATOM 1220 CB ARG A 80 7.455 11.999 -5.677 1.00 0.00 C ATOM 1221 CG ARG A 80 6.786 13.370 -5.787 1.00 0.00 C ATOM 1222 CD ARG A 80 5.514 13.293 -6.634 1.00 0.00 C ATOM 1223 NE ARG A 80 5.814 12.669 -7.943 1.00 0.00 N ATOM 1224 CZ ARG A 80 4.969 12.659 -8.982 1.00 0.00 C ATOM 1225 NH1 ARG A 80 3.765 13.238 -8.872 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.326 12.070 -10.131 1.00 0.00 N ATOM 0 H ARG A 80 7.013 12.923 -3.098 1.00 0.00 H new ATOM 0 HA ARG A 80 8.778 10.923 -4.374 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.088 11.828 -6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.695 11.218 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.542 13.741 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.481 14.083 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.754 12.713 -6.111 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.106 14.293 -6.783 1.00 0.00 H new ATOM 0 HE ARG A 80 6.721 12.218 -8.061 1.00 0.00 H new ATOM 0 HH11 ARG A 80 3.493 13.686 -7.997 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.121 13.231 -9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 80 6.242 11.629 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.682 12.063 -10.922 1.00 0.00 H new ATOM 1240 N ALA A 81 10.582 12.600 -4.100 1.00 0.00 N ATOM 1241 CA ALA A 81 11.691 13.538 -4.071 1.00 0.00 C ATOM 1242 C ALA A 81 11.830 14.201 -5.443 1.00 0.00 C ATOM 1243 O ALA A 81 12.438 15.263 -5.564 1.00 0.00 O ATOM 1244 CB ALA A 81 12.966 12.807 -3.644 1.00 0.00 C ATOM 0 H ALA A 81 10.830 11.639 -3.864 1.00 0.00 H new ATOM 0 HA ALA A 81 11.507 14.327 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 81 13.799 13.510 -3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 81 12.825 12.380 -2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.183 12.009 -4.354 1.00 0.00 H new ATOM 1250 N ASP A 82 11.256 13.546 -6.441 1.00 0.00 N ATOM 1251 CA ASP A 82 11.308 14.059 -7.800 1.00 0.00 C ATOM 1252 C ASP A 82 10.932 15.542 -7.796 1.00 0.00 C ATOM 1253 O ASP A 82 11.698 16.382 -8.265 1.00 0.00 O ATOM 1254 CB ASP A 82 10.319 13.322 -8.705 1.00 0.00 C ATOM 1255 CG ASP A 82 10.359 13.734 -10.178 1.00 0.00 C ATOM 1256 OD1 ASP A 82 11.487 13.917 -10.685 1.00 0.00 O ATOM 1257 OD2 ASP A 82 9.262 13.856 -10.763 1.00 0.00 O ATOM 0 H ASP A 82 10.753 12.665 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 82 12.320 13.912 -8.177 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.516 12.252 -8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.311 13.486 -8.325 1.00 0.00 H new ATOM 1262 N THR A 83 9.752 15.818 -7.260 1.00 0.00 N ATOM 1263 CA THR A 83 9.264 17.185 -7.189 1.00 0.00 C ATOM 1264 C THR A 83 9.004 17.583 -5.735 1.00 0.00 C ATOM 1265 O THR A 83 8.584 18.706 -5.460 1.00 0.00 O ATOM 1266 CB THR A 83 8.024 17.292 -8.079 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.150 16.284 -7.579 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.300 16.863 -9.522 1.00 0.00 C ATOM 0 H THR A 83 9.120 15.119 -6.871 1.00 0.00 H new ATOM 0 HA THR A 83 10.008 17.890 -7.559 1.00 0.00 H new ATOM 0 HB THR A 83 7.658 18.319 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.319 16.284 -8.099 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.388 16.958 -10.111 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.075 17.499 -9.949 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.634 15.826 -9.536 1.00 0.00 H new ATOM 1276 N GLN A 84 9.264 16.640 -4.841 1.00 0.00 N ATOM 1277 CA GLN A 84 9.063 16.878 -3.422 1.00 0.00 C ATOM 1278 C GLN A 84 7.612 17.283 -3.151 1.00 0.00 C ATOM 1279 O GLN A 84 7.315 18.465 -2.983 1.00 0.00 O ATOM 1280 CB GLN A 84 10.035 17.939 -2.901 1.00 0.00 C ATOM 1281 CG GLN A 84 11.438 17.356 -2.720 1.00 0.00 C ATOM 1282 CD GLN A 84 11.922 17.530 -1.280 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.531 18.444 -0.572 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.794 16.605 -0.887 1.00 0.00 N ATOM 0 H GLN A 84 9.612 15.710 -5.072 1.00 0.00 H new ATOM 0 HA GLN A 84 9.267 15.951 -2.886 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.072 18.776 -3.598 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.675 18.331 -1.950 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.432 16.298 -2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.131 17.848 -3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.079 15.867 -1.530 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.177 16.634 0.058 1.00 0.00 H new ATOM 1293 N THR A 85 6.748 16.280 -3.118 1.00 0.00 N ATOM 1294 CA THR A 85 5.336 16.517 -2.871 1.00 0.00 C ATOM 1295 C THR A 85 4.613 15.196 -2.596 1.00 0.00 C ATOM 1296 O THR A 85 5.176 14.122 -2.803 1.00 0.00 O ATOM 1297 CB THR A 85 4.768 17.282 -4.068 1.00 0.00 C ATOM 1298 OG1 THR A 85 3.422 17.564 -3.694 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.632 16.403 -5.314 1.00 0.00 C ATOM 0 H THR A 85 6.998 15.301 -3.258 1.00 0.00 H new ATOM 0 HA THR A 85 5.188 17.125 -1.978 1.00 0.00 H new ATOM 0 HB THR A 85 5.411 18.133 -4.292 1.00 0.00 H new ATOM 0 HG1 THR A 85 2.980 18.061 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.225 16.995 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.612 16.018 -5.596 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.963 15.570 -5.100 1.00 0.00 H new ATOM 1307 N TYR A 86 3.378 15.320 -2.134 1.00 0.00 N ATOM 1308 CA TYR A 86 2.573 14.149 -1.828 1.00 0.00 C ATOM 1309 C TYR A 86 1.505 13.923 -2.900 1.00 0.00 C ATOM 1310 O TYR A 86 0.587 14.729 -3.047 1.00 0.00 O ATOM 1311 CB TYR A 86 1.885 14.447 -0.494 1.00 0.00 C ATOM 1312 CG TYR A 86 0.798 15.520 -0.581 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.142 16.856 -0.541 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.527 15.152 -0.699 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.119 17.866 -0.622 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.550 16.163 -0.781 1.00 0.00 C ATOM 1317 CZ TYR A 86 -1.176 17.470 -0.738 1.00 0.00 C ATOM 1318 OH TYR A 86 -2.143 18.424 -0.815 1.00 0.00 O ATOM 0 H TYR A 86 2.915 16.213 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 86 3.196 13.255 -1.787 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.443 13.527 -0.111 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.637 14.764 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.179 17.144 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.797 14.107 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.375 18.915 -0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.591 15.889 -0.875 1.00 0.00 H new ATOM 0 HH TYR A 86 -3.020 17.995 -0.896 1.00 0.00 H new ATOM 1328 N GLN A 87 1.659 12.823 -3.622 1.00 0.00 N ATOM 1329 CA GLN A 87 0.720 12.481 -4.676 1.00 0.00 C ATOM 1330 C GLN A 87 -0.484 11.738 -4.093 1.00 0.00 C ATOM 1331 O GLN A 87 -0.350 10.616 -3.607 1.00 0.00 O ATOM 1332 CB GLN A 87 1.399 11.652 -5.768 1.00 0.00 C ATOM 1333 CG GLN A 87 0.871 12.033 -7.153 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.561 11.531 -7.351 1.00 0.00 C ATOM 1335 OE1 GLN A 87 -1.099 10.780 -6.554 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -1.145 11.986 -8.456 1.00 0.00 N ATOM 0 H GLN A 87 2.421 12.156 -3.497 1.00 0.00 H new ATOM 0 HA GLN A 87 0.366 13.405 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.477 11.808 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.223 10.592 -5.587 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.900 13.116 -7.272 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.518 11.610 -7.922 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.637 12.613 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.101 11.708 -8.679 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.664 12.411 -4.163 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.891 11.827 -3.648 1.00 0.00 C ATOM 1347 C PRO A 88 -3.416 10.739 -4.587 1.00 0.00 C ATOM 1348 O PRO A 88 -3.733 11.013 -5.744 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.850 12.996 -3.498 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.289 14.111 -4.366 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.860 13.741 -4.732 1.00 0.00 C ATOM 0 HA PRO A 88 -2.748 11.321 -2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.855 12.720 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.922 13.311 -2.457 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.893 14.236 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.313 15.060 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.717 13.734 -5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.148 14.457 -4.321 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.492 9.529 -4.054 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.973 8.398 -4.830 1.00 0.00 C ATOM 1361 C TYR A 89 -5.229 7.795 -4.198 1.00 0.00 C ATOM 1362 O TYR A 89 -5.198 7.344 -3.054 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.852 7.358 -4.800 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.574 7.799 -5.517 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.611 8.119 -6.859 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.385 7.878 -4.821 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.409 8.534 -7.533 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.818 8.293 -5.496 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.746 8.601 -6.818 1.00 0.00 C ATOM 1370 OH TYR A 89 1.882 8.993 -7.456 1.00 0.00 O ATOM 0 H TYR A 89 -3.229 9.306 -3.094 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.228 8.708 -5.843 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.613 7.127 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.213 6.437 -5.257 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.542 8.058 -7.403 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.356 7.629 -3.771 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.424 8.787 -8.583 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.756 8.358 -4.964 1.00 0.00 H new ATOM 0 HH TYR A 89 2.629 8.996 -6.822 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.306 7.807 -4.971 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.570 7.266 -4.501 1.00 0.00 C ATOM 1382 C ASN A 90 -7.358 5.830 -4.020 1.00 0.00 C ATOM 1383 O ASN A 90 -6.230 5.340 -3.994 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.609 7.240 -5.624 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.931 7.857 -5.163 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.816 7.186 -4.658 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.015 9.169 -5.364 1.00 0.00 N ATOM 0 H ASN A 90 -6.329 8.183 -5.919 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.929 7.902 -3.692 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.230 7.787 -6.487 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.776 6.212 -5.946 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -10.858 9.674 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -9.237 9.670 -5.792 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.461 5.195 -3.650 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.410 3.824 -3.171 1.00 0.00 C ATOM 1396 C LYS A 91 -8.115 2.888 -4.345 1.00 0.00 C ATOM 1397 O LYS A 91 -7.347 1.937 -4.208 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.692 3.474 -2.413 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.924 3.673 -3.298 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.032 4.407 -2.538 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.339 3.612 -2.573 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.166 4.025 -3.729 1.00 0.00 N ATOM 0 H LYS A 91 -9.395 5.605 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.599 3.701 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.647 2.439 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.774 4.098 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.650 4.241 -4.187 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -11.292 2.705 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.726 4.565 -1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.189 5.392 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.121 2.546 -2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.893 3.770 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.703 3.207 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.827 4.772 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.550 4.387 -4.485 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.741 3.191 -5.473 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.555 2.389 -6.671 1.00 0.00 C ATOM 1418 C ASP A 92 -7.058 2.209 -6.931 1.00 0.00 C ATOM 1419 O ASP A 92 -6.633 1.174 -7.442 1.00 0.00 O ATOM 1420 CB ASP A 92 -9.169 3.073 -7.893 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.451 2.148 -9.079 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -10.354 1.297 -8.932 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -8.757 2.313 -10.105 1.00 0.00 O ATOM 0 H ASP A 92 -9.377 3.981 -5.583 1.00 0.00 H new ATOM 0 HA ASP A 92 -9.044 1.428 -6.513 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -10.102 3.549 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.498 3.866 -8.222 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.299 3.234 -6.570 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.859 3.202 -6.758 1.00 0.00 C ATOM 1430 C TRP A 93 -4.275 2.189 -5.771 1.00 0.00 C ATOM 1431 O TRP A 93 -3.412 1.391 -6.133 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.256 4.600 -6.607 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.733 4.639 -6.751 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -2.014 4.877 -7.857 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.765 4.424 -5.702 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.659 4.830 -7.599 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.503 4.546 -6.247 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.949 4.136 -4.339 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.672 4.396 -5.501 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.765 3.988 -3.606 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.513 4.108 -4.140 1.00 0.00 C ATOM 0 H TRP A 93 -6.655 4.092 -6.148 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.609 2.885 -7.770 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.698 5.258 -7.355 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.529 4.999 -5.630 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.441 5.080 -8.828 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.090 4.977 -8.276 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.927 4.037 -3.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.649 4.497 -5.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.851 3.765 -2.553 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.379 3.980 -3.508 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.769 2.255 -4.544 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.307 1.354 -3.502 1.00 0.00 C ATOM 1454 C ILE A 94 -4.627 -0.088 -3.902 1.00 0.00 C ATOM 1455 O ILE A 94 -3.730 -0.923 -3.998 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.888 1.759 -2.146 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.590 3.228 -1.838 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.393 0.829 -1.037 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.660 3.825 -0.923 1.00 0.00 C ATOM 0 H ILE A 94 -5.485 2.919 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.225 1.423 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.972 1.654 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.612 3.313 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.543 3.796 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.821 1.139 -0.084 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.699 -0.194 -1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.306 0.878 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.424 4.870 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.633 3.761 -1.411 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.687 3.270 0.015 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.910 -0.336 -4.124 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.360 -1.662 -4.512 1.00 0.00 C ATOM 1473 C LYS A 95 -5.325 -2.294 -5.445 1.00 0.00 C ATOM 1474 O LYS A 95 -5.063 -3.494 -5.366 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.767 -1.597 -5.108 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.742 -0.924 -4.140 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.190 -1.279 -4.484 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.554 -0.795 -5.889 1.00 0.00 C ATOM 1479 NZ LYS A 95 -11.789 -1.460 -6.363 1.00 0.00 N ATOM 0 H LYS A 95 -6.652 0.359 -4.042 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.439 -2.309 -3.638 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.743 -1.045 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.115 -2.604 -5.339 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.520 -1.236 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.610 0.157 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.329 -2.358 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.862 -0.827 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.696 0.286 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -9.734 -1.005 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.022 -1.120 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -11.641 -2.489 -6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.573 -1.238 -5.716 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.765 -1.459 -6.308 1.00 0.00 N ATOM 1494 CA GLU A 96 -3.765 -1.922 -7.255 1.00 0.00 C ATOM 1495 C GLU A 96 -2.471 -2.288 -6.525 1.00 0.00 C ATOM 1496 O GLU A 96 -1.955 -3.393 -6.686 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.505 -0.870 -8.335 1.00 0.00 C ATOM 1498 CG GLU A 96 -4.753 -0.643 -9.191 1.00 0.00 C ATOM 1499 CD GLU A 96 -4.940 -1.778 -10.200 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.048 -1.922 -11.064 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.970 -2.476 -10.084 1.00 0.00 O ATOM 0 H GLU A 96 -4.985 -0.465 -6.371 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.147 -2.816 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.204 0.068 -7.869 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -2.678 -1.191 -8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.631 -0.574 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.669 0.307 -9.719 1.00 0.00 H new ATOM 1508 N LYS A 97 -1.985 -1.341 -5.737 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.761 -1.550 -4.981 1.00 0.00 C ATOM 1510 C LYS A 97 -0.933 -2.766 -4.068 1.00 0.00 C ATOM 1511 O LYS A 97 -0.227 -3.762 -4.216 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.366 -0.273 -4.237 1.00 0.00 C ATOM 1513 CG LYS A 97 0.993 0.242 -4.715 1.00 0.00 C ATOM 1514 CD LYS A 97 0.955 0.587 -6.205 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.046 1.712 -6.482 1.00 0.00 C ATOM 1516 NZ LYS A 97 -1.200 1.201 -7.255 1.00 0.00 N ATOM 0 H LYS A 97 -2.416 -0.426 -5.605 1.00 0.00 H new ATOM 0 HA LYS A 97 0.069 -1.769 -5.652 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.125 0.493 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.328 -0.469 -3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.274 1.125 -4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.757 -0.514 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.948 0.889 -6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.682 -0.298 -6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.392 2.139 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.443 2.514 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.390 1.836 -8.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.984 0.248 -7.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.038 1.159 -6.641 1.00 0.00 H new ATOM 1530 N ILE A 98 -1.875 -2.644 -3.145 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.148 -3.721 -2.208 1.00 0.00 C ATOM 1532 C ILE A 98 -2.143 -5.055 -2.956 1.00 0.00 C ATOM 1533 O ILE A 98 -1.467 -5.998 -2.546 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.446 -3.450 -1.444 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -3.758 -4.589 -0.472 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.604 -3.184 -2.407 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -4.923 -4.221 0.450 1.00 0.00 C ATOM 0 H ILE A 98 -2.459 -1.816 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.365 -3.776 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.310 -2.547 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.004 -5.492 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.874 -4.814 0.125 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.514 -2.994 -1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.373 -2.314 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -4.751 -4.053 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.124 -5.048 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.665 -3.332 1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -5.811 -4.020 -0.149 1.00 0.00 H new ATOM 1549 N TYR A 99 -2.903 -5.093 -4.040 1.00 0.00 N ATOM 1550 CA TYR A 99 -2.994 -6.297 -4.849 1.00 0.00 C ATOM 1551 C TYR A 99 -1.611 -6.742 -5.327 1.00 0.00 C ATOM 1552 O TYR A 99 -1.250 -7.910 -5.193 1.00 0.00 O ATOM 1553 CB TYR A 99 -3.846 -5.925 -6.064 1.00 0.00 C ATOM 1554 CG TYR A 99 -3.908 -7.014 -7.137 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -2.783 -7.321 -7.874 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.090 -7.688 -7.368 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -2.841 -8.346 -8.884 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.149 -8.713 -8.378 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.021 -8.991 -9.086 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.077 -9.959 -10.040 1.00 0.00 O ATOM 0 H TYR A 99 -3.462 -4.309 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.424 -7.116 -4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -4.859 -5.701 -5.730 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.448 -5.013 -6.509 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -1.859 -6.793 -7.694 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -5.971 -7.447 -6.791 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.967 -8.597 -9.468 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.067 -9.248 -8.569 1.00 0.00 H new ATOM 0 HH TYR A 99 -4.982 -10.334 -10.073 1.00 0.00 H new ATOM 1570 N VAL A 100 -0.874 -5.787 -5.876 1.00 0.00 N ATOM 1571 CA VAL A 100 0.462 -6.066 -6.375 1.00 0.00 C ATOM 1572 C VAL A 100 1.383 -6.392 -5.198 1.00 0.00 C ATOM 1573 O VAL A 100 2.493 -6.885 -5.392 1.00 0.00 O ATOM 1574 CB VAL A 100 0.962 -4.891 -7.217 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.339 -5.190 -7.813 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.045 -4.535 -8.313 1.00 0.00 C ATOM 0 H VAL A 100 -1.177 -4.819 -5.986 1.00 0.00 H new ATOM 0 HA VAL A 100 0.451 -6.937 -7.031 1.00 0.00 H new ATOM 0 HB VAL A 100 1.062 -4.027 -6.560 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.671 -4.338 -8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.052 -5.372 -7.009 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.276 -6.073 -8.449 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.334 -3.697 -8.897 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.192 -5.395 -8.966 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.996 -4.259 -7.858 1.00 0.00 H new ATOM 1586 N LEU A 101 0.889 -6.104 -4.003 1.00 0.00 N ATOM 1587 CA LEU A 101 1.654 -6.361 -2.794 1.00 0.00 C ATOM 1588 C LEU A 101 1.465 -7.820 -2.377 1.00 0.00 C ATOM 1589 O LEU A 101 2.308 -8.385 -1.681 1.00 0.00 O ATOM 1590 CB LEU A 101 1.284 -5.355 -1.702 1.00 0.00 C ATOM 1591 CG LEU A 101 1.242 -5.902 -0.274 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.511 -5.527 0.494 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.024 -5.443 0.452 1.00 0.00 C ATOM 0 H LEU A 101 -0.032 -5.695 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 101 2.719 -6.218 -2.979 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.000 -4.534 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.306 -4.935 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 101 1.207 -6.990 -0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.456 -5.928 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.380 -5.944 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.602 -4.442 0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.029 -5.846 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.045 -4.354 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.902 -5.802 -0.085 1.00 0.00 H new ATOM 1605 N LEU A 102 0.353 -8.390 -2.819 1.00 0.00 N ATOM 1606 CA LEU A 102 0.043 -9.773 -2.500 1.00 0.00 C ATOM 1607 C LEU A 102 0.668 -10.688 -3.554 1.00 0.00 C ATOM 1608 O LEU A 102 1.366 -11.643 -3.217 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.467 -9.960 -2.341 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.248 -8.734 -1.863 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -3.708 -9.092 -1.576 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -1.569 -8.088 -0.654 1.00 0.00 C ATOM 0 H LEU A 102 -0.344 -7.919 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 102 0.478 -10.049 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.877 -10.276 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.640 -10.774 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 102 -2.248 -7.996 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.241 -8.203 -1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.175 -9.471 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -3.749 -9.857 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -2.145 -7.219 -0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.517 -8.809 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -0.561 -7.775 -0.927 1.00 0.00 H new ATOM 1624 N ARG A 103 0.395 -10.364 -4.810 1.00 0.00 N ATOM 1625 CA ARG A 103 0.923 -11.145 -5.916 1.00 0.00 C ATOM 1626 C ARG A 103 2.313 -11.683 -5.570 1.00 0.00 C ATOM 1627 O ARG A 103 2.599 -12.859 -5.789 1.00 0.00 O ATOM 1628 CB ARG A 103 1.011 -10.304 -7.191 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.356 -9.724 -7.560 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.479 -10.707 -7.223 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.270 -11.981 -7.946 1.00 0.00 N ATOM 1632 CZ ARG A 103 -2.039 -13.067 -7.792 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -3.073 -13.040 -6.941 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.775 -14.180 -8.490 1.00 0.00 N ATOM 0 H ARG A 103 -0.185 -9.571 -5.086 1.00 0.00 H new ATOM 0 HA ARG A 103 0.241 -11.977 -6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.727 -9.495 -7.048 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.383 -10.918 -8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.514 -8.788 -7.024 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.380 -9.490 -8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.504 -10.889 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -2.443 -10.278 -7.496 1.00 0.00 H new ATOM 0 HE ARG A 103 -0.492 -12.036 -8.603 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.275 -12.193 -6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -3.659 -13.867 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -0.988 -14.200 -9.139 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.361 -15.007 -8.372 1.00 0.00 H new ATOM 1648 N ARG A 104 3.140 -10.796 -5.037 1.00 0.00 N ATOM 1649 CA ARG A 104 4.493 -11.167 -4.659 1.00 0.00 C ATOM 1650 C ARG A 104 4.476 -12.009 -3.382 1.00 0.00 C ATOM 1651 O ARG A 104 5.137 -13.044 -3.308 1.00 0.00 O ATOM 1652 CB ARG A 104 5.361 -9.927 -4.432 1.00 0.00 C ATOM 1653 CG ARG A 104 4.819 -9.082 -3.278 1.00 0.00 C ATOM 1654 CD ARG A 104 5.374 -7.658 -3.333 1.00 0.00 C ATOM 1655 NE ARG A 104 6.834 -7.673 -3.088 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.390 -7.714 -1.870 1.00 0.00 C ATOM 1657 NH1 ARG A 104 6.613 -7.742 -0.778 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.724 -7.725 -1.743 1.00 0.00 N ATOM 0 H ARG A 104 2.899 -9.821 -4.858 1.00 0.00 H new ATOM 0 HA ARG A 104 4.917 -11.750 -5.477 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.385 -10.230 -4.215 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.392 -9.329 -5.343 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.730 -9.054 -3.323 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.086 -9.544 -2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.165 -7.215 -4.307 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.878 -7.037 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 104 7.455 -7.651 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.598 -7.732 -0.874 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.037 -7.773 0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.316 -7.702 -2.574 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.148 -7.756 -0.816 1.00 0.00 H new ATOM 1672 N GLN A 105 3.713 -11.535 -2.409 1.00 0.00 N ATOM 1673 CA GLN A 105 3.601 -12.232 -1.139 1.00 0.00 C ATOM 1674 C GLN A 105 3.536 -13.744 -1.367 1.00 0.00 C ATOM 1675 O GLN A 105 4.289 -14.500 -0.755 1.00 0.00 O ATOM 1676 CB GLN A 105 2.384 -11.744 -0.350 1.00 0.00 C ATOM 1677 CG GLN A 105 2.703 -10.453 0.407 1.00 0.00 C ATOM 1678 CD GLN A 105 2.498 -10.636 1.912 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.917 -11.615 2.507 1.00 0.00 O ATOM 1680 NE2 GLN A 105 1.832 -9.641 2.492 1.00 0.00 N ATOM 0 H GLN A 105 3.166 -10.677 -2.474 1.00 0.00 H new ATOM 0 HA GLN A 105 4.489 -12.011 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.549 -11.574 -1.030 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.070 -12.514 0.354 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.733 -10.157 0.210 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.065 -9.647 0.045 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.509 -8.850 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.644 -9.669 3.494 1.00 0.00 H new