USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 820 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 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 32 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.979) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.48) USER MOD Single : A 45 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0355) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -5.68! C(o=-5.7!,f=-5.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.62 X(o=-0.62,f=-0.34) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -166:sc=-0.00227 (180deg=-0.101) USER MOD Single : A 68 TYR OH : rot 2:sc= 0.206 USER MOD Single : A 70 ASN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00978 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 141:sc= -0.491 (180deg=-2.05!) USER MOD Single : A 80 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.4) USER MOD Single : A 81 CYS SG : rot 172:sc= -1.19 USER MOD Single : A 85 ASN : amide:sc= -0.12 K(o=-0.12,f=-2.4!) USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HE2:sc= -0.175 K(o=-0.18,f=-0.77) USER MOD Single : A 92 THR OG1 : rot 74:sc= 1.04 USER MOD Single : A 93 TYR OH : rot 51:sc= 0.317 USER MOD Single : A 101 ASN : amide:sc= -0.855 K(o=-0.86,f=-3.1!) USER MOD Single : A 104 CYS SG : rot 158:sc= -9.05! USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 TYR OH : rot -139:sc= 0.193 USER MOD Single : A 110 ASN : amide:sc= -4.89! C(o=-4.9!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 143 N LEU A 13 8.587 2.558 5.447 1.00 0.00 N ATOM 144 CA LEU A 13 7.857 3.555 4.671 1.00 0.00 C ATOM 145 C LEU A 13 8.818 4.450 3.894 1.00 0.00 C ATOM 146 O LEU A 13 9.732 5.043 4.466 1.00 0.00 O ATOM 147 CB LEU A 13 6.983 4.407 5.593 1.00 0.00 C ATOM 148 CG LEU A 13 7.672 5.598 6.260 1.00 0.00 C ATOM 149 CD1 LEU A 13 7.782 6.763 5.288 1.00 0.00 C ATOM 150 CD2 LEU A 13 6.918 6.017 7.513 1.00 0.00 C ATOM 0 HA LEU A 13 7.220 3.031 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.136 4.779 5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.578 3.763 6.374 1.00 0.00 H new ATOM 0 HG LEU A 13 8.678 5.296 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.275 7.602 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.365 6.458 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.785 7.065 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.423 6.866 7.975 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.900 6.301 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.891 5.185 8.216 1.00 0.00 H new ATOM 162 N LYS A 14 8.603 4.543 2.586 1.00 0.00 N ATOM 163 CA LYS A 14 9.446 5.368 1.729 1.00 0.00 C ATOM 164 C LYS A 14 8.603 6.158 0.733 1.00 0.00 C ATOM 165 O LYS A 14 7.749 5.610 0.034 1.00 0.00 O ATOM 166 CB LYS A 14 10.455 4.495 0.979 1.00 0.00 C ATOM 167 CG LYS A 14 11.480 5.290 0.189 1.00 0.00 C ATOM 168 CD LYS A 14 12.582 5.827 1.087 1.00 0.00 C ATOM 169 CE LYS A 14 13.439 6.854 0.363 1.00 0.00 C ATOM 170 NZ LYS A 14 14.634 7.241 1.163 1.00 0.00 N ATOM 0 H LYS A 14 7.852 4.057 2.096 1.00 0.00 H new ATOM 0 HA LYS A 14 9.984 6.073 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.975 3.859 1.695 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.917 3.835 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.916 4.657 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.987 6.119 -0.318 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.141 6.280 1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.209 5.003 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.760 6.448 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.842 7.741 0.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.192 7.942 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 14.328 7.652 2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 15.218 6.400 1.345 1.00 0.00 H new ATOM 184 N PRO A 15 8.846 7.475 0.664 1.00 0.00 N ATOM 185 CA PRO A 15 8.120 8.367 -0.245 1.00 0.00 C ATOM 186 C PRO A 15 8.481 8.124 -1.707 1.00 0.00 C ATOM 187 O PRO A 15 9.591 7.707 -2.036 1.00 0.00 O ATOM 188 CB PRO A 15 8.571 9.763 0.192 1.00 0.00 C ATOM 189 CG PRO A 15 9.906 9.550 0.819 1.00 0.00 C ATOM 190 CD PRO A 15 9.848 8.194 1.467 1.00 0.00 C ATOM 0 HA PRO A 15 7.042 8.216 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.637 10.442 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.867 10.203 0.898 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.699 9.592 0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.120 10.325 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 15 10.817 7.695 1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.551 8.261 2.514 1.00 0.00 H new ATOM 198 N PRO A 16 7.522 8.392 -2.606 1.00 0.00 N ATOM 199 CA PRO A 16 7.717 8.211 -4.048 1.00 0.00 C ATOM 200 C PRO A 16 8.688 9.229 -4.634 1.00 0.00 C ATOM 201 O PRO A 16 8.838 10.331 -4.108 1.00 0.00 O ATOM 202 CB PRO A 16 6.314 8.417 -4.624 1.00 0.00 C ATOM 203 CG PRO A 16 5.618 9.278 -3.627 1.00 0.00 C ATOM 204 CD PRO A 16 6.175 8.892 -2.285 1.00 0.00 C ATOM 0 HA PRO A 16 8.150 7.238 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.354 8.897 -5.602 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.797 7.467 -4.756 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.794 10.334 -3.833 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.540 9.122 -3.662 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.214 9.744 -1.606 1.00 0.00 H new ATOM 0 HD3 PRO A 16 5.567 8.127 -1.802 1.00 0.00 H new ATOM 212 N GLU A 17 9.345 8.853 -5.727 1.00 0.00 N ATOM 213 CA GLU A 17 10.302 9.736 -6.384 1.00 0.00 C ATOM 214 C GLU A 17 9.624 10.554 -7.480 1.00 0.00 C ATOM 215 O GLU A 17 9.982 11.707 -7.718 1.00 0.00 O ATOM 216 CB GLU A 17 11.454 8.923 -6.978 1.00 0.00 C ATOM 217 CG GLU A 17 12.221 8.111 -5.947 1.00 0.00 C ATOM 218 CD GLU A 17 13.167 8.961 -5.121 1.00 0.00 C ATOM 219 OE1 GLU A 17 12.701 9.595 -4.152 1.00 0.00 O ATOM 220 OE2 GLU A 17 14.373 8.992 -5.444 1.00 0.00 O ATOM 0 H GLU A 17 9.232 7.944 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 17 10.699 10.422 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.058 8.249 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.144 9.600 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.514 7.612 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.788 7.330 -6.454 1.00 0.00 H new ATOM 227 N GLN A 18 8.646 9.947 -8.144 1.00 0.00 N ATOM 228 CA GLN A 18 7.919 10.618 -9.215 1.00 0.00 C ATOM 229 C GLN A 18 6.560 9.966 -9.444 1.00 0.00 C ATOM 230 O GLN A 18 6.443 8.741 -9.452 1.00 0.00 O ATOM 231 CB GLN A 18 8.736 10.590 -10.509 1.00 0.00 C ATOM 232 CG GLN A 18 8.918 9.194 -11.083 1.00 0.00 C ATOM 233 CD GLN A 18 9.886 8.353 -10.275 1.00 0.00 C ATOM 234 OE1 GLN A 18 11.067 8.681 -10.162 1.00 0.00 O ATOM 235 NE2 GLN A 18 9.389 7.260 -9.706 1.00 0.00 N ATOM 0 H GLN A 18 8.339 8.992 -7.959 1.00 0.00 H new ATOM 0 HA GLN A 18 7.758 11.654 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 18 8.245 11.218 -11.252 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.717 11.027 -10.319 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.951 8.692 -11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 18 9.278 9.271 -12.109 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.404 7.026 -9.826 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.993 6.655 -9.149 1.00 0.00 H new ATOM 244 N GLU A 19 5.535 10.792 -9.628 1.00 0.00 N ATOM 245 CA GLU A 19 4.184 10.294 -9.855 1.00 0.00 C ATOM 246 C GLU A 19 4.181 9.191 -10.910 1.00 0.00 C ATOM 247 O GLU A 19 4.740 9.354 -11.995 1.00 0.00 O ATOM 248 CB GLU A 19 3.263 11.435 -10.292 1.00 0.00 C ATOM 249 CG GLU A 19 1.843 10.988 -10.597 1.00 0.00 C ATOM 250 CD GLU A 19 0.915 12.151 -10.891 1.00 0.00 C ATOM 251 OE1 GLU A 19 0.994 13.168 -10.171 1.00 0.00 O ATOM 252 OE2 GLU A 19 0.111 12.044 -11.840 1.00 0.00 O ATOM 0 H GLU A 19 5.615 11.809 -9.624 1.00 0.00 H new ATOM 0 HA GLU A 19 3.815 9.878 -8.918 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.236 12.190 -9.507 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.683 11.911 -11.178 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.855 10.312 -11.452 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.454 10.423 -9.750 1.00 0.00 H new ATOM 259 N ILE A 20 3.548 8.069 -10.582 1.00 0.00 N ATOM 260 CA ILE A 20 3.472 6.940 -11.501 1.00 0.00 C ATOM 261 C ILE A 20 2.111 6.881 -12.187 1.00 0.00 C ATOM 262 O ILE A 20 1.277 7.767 -12.009 1.00 0.00 O ATOM 263 CB ILE A 20 3.727 5.606 -10.775 1.00 0.00 C ATOM 264 CG1 ILE A 20 2.611 5.329 -9.765 1.00 0.00 C ATOM 265 CG2 ILE A 20 5.081 5.630 -10.083 1.00 0.00 C ATOM 266 CD1 ILE A 20 2.341 3.856 -9.552 1.00 0.00 C ATOM 0 H ILE A 20 3.081 7.918 -9.688 1.00 0.00 H new ATOM 0 HA ILE A 20 4.248 7.090 -12.251 1.00 0.00 H new ATOM 0 HB ILE A 20 3.732 4.803 -11.512 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.875 5.783 -8.810 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.695 5.812 -10.106 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.247 4.680 -9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.865 5.787 -10.824 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.103 6.440 -9.354 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.539 3.735 -8.824 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.046 3.400 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.244 3.371 -9.181 1.00 0.00 H new ATOM 278 N GLU A 21 1.896 5.829 -12.972 1.00 0.00 N ATOM 279 CA GLU A 21 0.635 5.655 -13.684 1.00 0.00 C ATOM 280 C GLU A 21 -0.053 4.360 -13.262 1.00 0.00 C ATOM 281 O GLU A 21 0.602 3.344 -13.028 1.00 0.00 O ATOM 282 CB GLU A 21 0.875 5.649 -15.195 1.00 0.00 C ATOM 283 CG GLU A 21 -0.122 4.800 -15.966 1.00 0.00 C ATOM 284 CD GLU A 21 -0.214 5.192 -17.428 1.00 0.00 C ATOM 285 OE1 GLU A 21 0.731 4.885 -18.184 1.00 0.00 O ATOM 286 OE2 GLU A 21 -1.231 5.805 -17.816 1.00 0.00 O ATOM 0 H GLU A 21 2.577 5.086 -13.131 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.016 6.492 -13.430 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.831 6.673 -15.566 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.882 5.282 -15.393 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.166 3.751 -15.892 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.106 4.894 -15.506 1.00 0.00 H new ATOM 293 N ILE A 22 -1.377 4.405 -13.166 1.00 0.00 N ATOM 294 CA ILE A 22 -2.155 3.236 -12.773 1.00 0.00 C ATOM 295 C ILE A 22 -3.339 3.023 -13.710 1.00 0.00 C ATOM 296 O ILE A 22 -3.926 3.981 -14.213 1.00 0.00 O ATOM 297 CB ILE A 22 -2.674 3.365 -11.329 1.00 0.00 C ATOM 298 CG1 ILE A 22 -1.502 3.455 -10.349 1.00 0.00 C ATOM 299 CG2 ILE A 22 -3.572 2.187 -10.982 1.00 0.00 C ATOM 300 CD1 ILE A 22 -0.649 2.207 -10.311 1.00 0.00 C ATOM 0 H ILE A 22 -1.934 5.238 -13.355 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.487 2.377 -12.835 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.261 4.280 -11.250 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.876 4.305 -10.621 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.889 3.651 -9.349 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -3.931 2.292 -9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.422 2.164 -11.664 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -3.007 1.259 -11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.162 2.342 -9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.261 1.357 -10.009 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.232 2.021 -11.301 1.00 0.00 H new ATOM 312 N ASP A 23 -3.685 1.761 -13.939 1.00 0.00 N ATOM 313 CA ASP A 23 -4.802 1.421 -14.813 1.00 0.00 C ATOM 314 C ASP A 23 -5.992 0.916 -14.004 1.00 0.00 C ATOM 315 O ASP A 23 -5.828 0.153 -13.052 1.00 0.00 O ATOM 316 CB ASP A 23 -4.376 0.362 -15.832 1.00 0.00 C ATOM 317 CG ASP A 23 -3.679 0.965 -17.036 1.00 0.00 C ATOM 318 OD1 ASP A 23 -4.350 1.672 -17.817 1.00 0.00 O ATOM 319 OD2 ASP A 23 -2.463 0.728 -17.199 1.00 0.00 O ATOM 0 H ASP A 23 -3.208 0.957 -13.532 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.104 2.324 -15.343 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -3.710 -0.354 -15.351 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.254 -0.193 -16.164 1.00 0.00 H new ATOM 324 N ARG A 24 -7.188 1.348 -14.388 1.00 0.00 N ATOM 325 CA ARG A 24 -8.406 0.941 -13.696 1.00 0.00 C ATOM 326 C ARG A 24 -8.934 -0.377 -14.254 1.00 0.00 C ATOM 327 O ARG A 24 -9.889 -0.947 -13.729 1.00 0.00 O ATOM 328 CB ARG A 24 -9.476 2.026 -13.823 1.00 0.00 C ATOM 329 CG ARG A 24 -9.001 3.405 -13.394 1.00 0.00 C ATOM 330 CD ARG A 24 -9.245 3.642 -11.912 1.00 0.00 C ATOM 331 NE ARG A 24 -9.479 5.053 -11.615 1.00 0.00 N ATOM 332 CZ ARG A 24 -8.556 5.997 -11.759 1.00 0.00 C ATOM 333 NH1 ARG A 24 -7.344 5.683 -12.194 1.00 0.00 N ATOM 334 NH2 ARG A 24 -8.846 7.259 -11.468 1.00 0.00 N ATOM 0 H ARG A 24 -7.340 1.980 -15.174 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.165 0.799 -12.642 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.812 2.073 -14.859 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.339 1.745 -13.220 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.938 3.508 -13.610 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.520 4.167 -13.976 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.105 3.056 -11.588 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.385 3.289 -11.342 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.402 5.328 -11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.118 4.714 -12.419 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.637 6.410 -12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.778 7.504 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.137 7.984 -11.579 1.00 0.00 H new ATOM 348 N ASN A 25 -8.305 -0.856 -15.323 1.00 0.00 N ATOM 349 CA ASN A 25 -8.712 -2.106 -15.953 1.00 0.00 C ATOM 350 C ASN A 25 -7.530 -3.064 -16.074 1.00 0.00 C ATOM 351 O ASN A 25 -7.674 -4.184 -16.566 1.00 0.00 O ATOM 352 CB ASN A 25 -9.306 -1.835 -17.336 1.00 0.00 C ATOM 353 CG ASN A 25 -10.586 -1.024 -17.267 1.00 0.00 C ATOM 354 OD1 ASN A 25 -11.629 -1.526 -16.848 1.00 0.00 O ATOM 355 ND2 ASN A 25 -10.511 0.236 -17.679 1.00 0.00 N ATOM 0 H ASN A 25 -7.512 -0.397 -15.771 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.471 -2.570 -15.324 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.575 -1.303 -17.945 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.506 -2.783 -17.835 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.340 0.830 -17.656 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.625 0.610 -18.019 1.00 0.00 H new ATOM 362 N ILE A 26 -6.364 -2.617 -15.621 1.00 0.00 N ATOM 363 CA ILE A 26 -5.159 -3.435 -15.676 1.00 0.00 C ATOM 364 C ILE A 26 -4.427 -3.428 -14.338 1.00 0.00 C ATOM 365 O ILE A 26 -4.245 -2.376 -13.725 1.00 0.00 O ATOM 366 CB ILE A 26 -4.198 -2.947 -16.777 1.00 0.00 C ATOM 367 CG1 ILE A 26 -4.898 -2.960 -18.138 1.00 0.00 C ATOM 368 CG2 ILE A 26 -2.948 -3.813 -16.810 1.00 0.00 C ATOM 369 CD1 ILE A 26 -5.601 -1.662 -18.468 1.00 0.00 C ATOM 0 H ILE A 26 -6.228 -1.693 -15.212 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.478 -4.451 -15.907 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.901 -1.923 -16.552 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.163 -3.173 -18.914 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.625 -3.772 -18.156 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.279 -3.456 -17.593 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.442 -3.758 -15.846 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.227 -4.847 -17.015 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.075 -1.743 -19.446 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.360 -1.457 -17.713 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.875 -0.849 -18.483 1.00 0.00 H new ATOM 381 N ILE A 27 -4.009 -4.608 -13.893 1.00 0.00 N ATOM 382 CA ILE A 27 -3.294 -4.737 -12.629 1.00 0.00 C ATOM 383 C ILE A 27 -1.871 -5.236 -12.851 1.00 0.00 C ATOM 384 O ILE A 27 -1.628 -6.441 -12.908 1.00 0.00 O ATOM 385 CB ILE A 27 -4.019 -5.697 -11.668 1.00 0.00 C ATOM 386 CG1 ILE A 27 -5.447 -5.212 -11.408 1.00 0.00 C ATOM 387 CG2 ILE A 27 -3.249 -5.820 -10.361 1.00 0.00 C ATOM 388 CD1 ILE A 27 -6.239 -6.125 -10.499 1.00 0.00 C ATOM 0 H ILE A 27 -4.153 -5.488 -14.388 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.262 -3.744 -12.181 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.069 -6.682 -12.132 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -5.409 -4.216 -10.966 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.969 -5.118 -12.360 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.774 -6.502 -9.692 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.250 -6.207 -10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.171 -4.840 -9.891 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -7.241 -5.719 -10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -6.308 -7.115 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.739 -6.199 -9.533 1.00 0.00 H new ATOM 400 N GLN A 28 -0.934 -4.301 -12.974 1.00 0.00 N ATOM 401 CA GLN A 28 0.467 -4.647 -13.188 1.00 0.00 C ATOM 402 C GLN A 28 1.114 -5.124 -11.893 1.00 0.00 C ATOM 403 O GLN A 28 0.700 -4.734 -10.801 1.00 0.00 O ATOM 404 CB GLN A 28 1.232 -3.445 -13.743 1.00 0.00 C ATOM 405 CG GLN A 28 0.523 -2.751 -14.895 1.00 0.00 C ATOM 406 CD GLN A 28 0.836 -1.269 -14.965 1.00 0.00 C ATOM 407 OE1 GLN A 28 1.958 -0.846 -14.687 1.00 0.00 O ATOM 408 NE2 GLN A 28 -0.158 -0.471 -15.338 1.00 0.00 N ATOM 0 H GLN A 28 -1.119 -3.299 -12.929 1.00 0.00 H new ATOM 0 HA GLN A 28 0.508 -5.460 -13.913 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.393 -2.725 -12.940 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.216 -3.774 -14.078 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.813 -3.224 -15.833 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.553 -2.887 -14.789 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.073 -0.865 -15.559 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.007 0.536 -15.403 1.00 0.00 H new ATOM 417 N GLU A 29 2.132 -5.969 -12.021 1.00 0.00 N ATOM 418 CA GLU A 29 2.836 -6.499 -10.859 1.00 0.00 C ATOM 419 C GLU A 29 3.120 -5.395 -9.845 1.00 0.00 C ATOM 420 O GLU A 29 3.001 -5.603 -8.638 1.00 0.00 O ATOM 421 CB GLU A 29 4.146 -7.163 -11.288 1.00 0.00 C ATOM 422 CG GLU A 29 5.075 -6.238 -12.055 1.00 0.00 C ATOM 423 CD GLU A 29 6.357 -6.923 -12.485 1.00 0.00 C ATOM 424 OE1 GLU A 29 7.178 -7.252 -11.603 1.00 0.00 O ATOM 425 OE2 GLU A 29 6.540 -7.131 -13.702 1.00 0.00 O ATOM 0 H GLU A 29 2.488 -6.301 -12.917 1.00 0.00 H new ATOM 0 HA GLU A 29 2.197 -7.245 -10.388 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.664 -7.531 -10.402 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.918 -8.030 -11.908 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.557 -5.858 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.319 -5.377 -11.433 1.00 0.00 H new ATOM 432 N GLU A 30 3.497 -4.223 -10.345 1.00 0.00 N ATOM 433 CA GLU A 30 3.799 -3.087 -9.483 1.00 0.00 C ATOM 434 C GLU A 30 2.807 -3.002 -8.326 1.00 0.00 C ATOM 435 O GLU A 30 3.169 -2.629 -7.211 1.00 0.00 O ATOM 436 CB GLU A 30 3.774 -1.786 -10.288 1.00 0.00 C ATOM 437 CG GLU A 30 5.119 -1.416 -10.889 1.00 0.00 C ATOM 438 CD GLU A 30 4.985 -0.594 -12.157 1.00 0.00 C ATOM 439 OE1 GLU A 30 4.668 -1.180 -13.213 1.00 0.00 O ATOM 440 OE2 GLU A 30 5.197 0.635 -12.092 1.00 0.00 O ATOM 0 H GLU A 30 3.601 -4.035 -11.342 1.00 0.00 H new ATOM 0 HA GLU A 30 4.798 -3.232 -9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.041 -1.878 -11.089 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.439 -0.975 -9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.698 -0.855 -10.156 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.678 -2.326 -11.108 1.00 0.00 H new ATOM 447 N GLU A 31 1.554 -3.351 -8.602 1.00 0.00 N ATOM 448 CA GLU A 31 0.510 -3.313 -7.586 1.00 0.00 C ATOM 449 C GLU A 31 0.389 -4.660 -6.879 1.00 0.00 C ATOM 450 O GLU A 31 0.219 -4.723 -5.662 1.00 0.00 O ATOM 451 CB GLU A 31 -0.832 -2.932 -8.215 1.00 0.00 C ATOM 452 CG GLU A 31 -0.802 -1.604 -8.954 1.00 0.00 C ATOM 453 CD GLU A 31 -1.777 -1.561 -10.115 1.00 0.00 C ATOM 454 OE1 GLU A 31 -1.852 -2.558 -10.864 1.00 0.00 O ATOM 455 OE2 GLU A 31 -2.466 -0.532 -10.274 1.00 0.00 O ATOM 0 H GLU A 31 1.238 -3.663 -9.520 1.00 0.00 H new ATOM 0 HA GLU A 31 0.784 -2.559 -6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.135 -3.717 -8.908 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.590 -2.886 -7.433 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.037 -0.799 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.207 -1.421 -9.324 1.00 0.00 H new ATOM 462 N LYS A 32 0.477 -5.737 -7.653 1.00 0.00 N ATOM 463 CA LYS A 32 0.378 -7.084 -7.104 1.00 0.00 C ATOM 464 C LYS A 32 1.488 -7.341 -6.090 1.00 0.00 C ATOM 465 O LYS A 32 1.380 -8.237 -5.253 1.00 0.00 O ATOM 466 CB LYS A 32 0.449 -8.121 -8.227 1.00 0.00 C ATOM 467 CG LYS A 32 -0.606 -7.925 -9.303 1.00 0.00 C ATOM 468 CD LYS A 32 -0.462 -8.949 -10.417 1.00 0.00 C ATOM 469 CE LYS A 32 -1.680 -8.954 -11.329 1.00 0.00 C ATOM 470 NZ LYS A 32 -2.730 -9.892 -10.846 1.00 0.00 N ATOM 0 H LYS A 32 0.617 -5.703 -8.663 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.582 -7.173 -6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.437 -8.080 -8.686 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.338 -9.117 -7.798 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.599 -8.005 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.522 -6.920 -9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.431 -8.729 -11.002 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.325 -9.941 -9.986 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.093 -7.947 -11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.377 -9.236 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.465 -9.995 -11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.303 -10.820 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.157 -9.517 -9.975 1.00 0.00 H new ATOM 484 N GLN A 33 2.552 -6.548 -6.170 1.00 0.00 N ATOM 485 CA GLN A 33 3.681 -6.691 -5.258 1.00 0.00 C ATOM 486 C GLN A 33 3.381 -6.034 -3.914 1.00 0.00 C ATOM 487 O GLN A 33 4.020 -6.338 -2.908 1.00 0.00 O ATOM 488 CB GLN A 33 4.939 -6.075 -5.871 1.00 0.00 C ATOM 489 CG GLN A 33 5.732 -7.042 -6.735 1.00 0.00 C ATOM 490 CD GLN A 33 7.217 -6.740 -6.739 1.00 0.00 C ATOM 491 OE1 GLN A 33 7.904 -6.931 -5.736 1.00 0.00 O ATOM 492 NE2 GLN A 33 7.721 -6.264 -7.872 1.00 0.00 N ATOM 0 H GLN A 33 2.656 -5.801 -6.856 1.00 0.00 H new ATOM 0 HA GLN A 33 3.850 -7.755 -5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.654 -5.212 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.580 -5.707 -5.070 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.573 -8.059 -6.375 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.355 -7.003 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.115 -6.121 -8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.714 -6.041 -7.934 1.00 0.00 H new ATOM 501 N ALA A 34 2.405 -5.132 -3.907 1.00 0.00 N ATOM 502 CA ALA A 34 2.020 -4.434 -2.687 1.00 0.00 C ATOM 503 C ALA A 34 0.667 -4.922 -2.179 1.00 0.00 C ATOM 504 O ALA A 34 0.309 -4.695 -1.023 1.00 0.00 O ATOM 505 CB ALA A 34 1.985 -2.932 -2.927 1.00 0.00 C ATOM 0 H ALA A 34 1.867 -4.868 -4.732 1.00 0.00 H new ATOM 0 HA ALA A 34 2.766 -4.652 -1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.696 -2.423 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.973 -2.590 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 34 1.261 -2.705 -3.710 1.00 0.00 H new ATOM 511 N ILE A 35 -0.080 -5.593 -3.049 1.00 0.00 N ATOM 512 CA ILE A 35 -1.392 -6.113 -2.687 1.00 0.00 C ATOM 513 C ILE A 35 -1.571 -7.545 -3.178 1.00 0.00 C ATOM 514 O ILE A 35 -2.543 -7.879 -3.856 1.00 0.00 O ATOM 515 CB ILE A 35 -2.522 -5.240 -3.265 1.00 0.00 C ATOM 516 CG1 ILE A 35 -2.110 -3.766 -3.264 1.00 0.00 C ATOM 517 CG2 ILE A 35 -3.804 -5.437 -2.469 1.00 0.00 C ATOM 518 CD1 ILE A 35 -2.183 -3.119 -1.898 1.00 0.00 C ATOM 0 H ILE A 35 0.201 -5.789 -4.010 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.449 -6.095 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.706 -5.546 -4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.092 -3.682 -3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.753 -3.217 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.593 -4.813 -2.890 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.105 -6.484 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.634 -5.155 -1.430 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.877 -2.075 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.206 -3.172 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.519 -3.643 -1.211 1.00 0.00 H new ATOM 530 N PRO A 36 -0.611 -8.414 -2.828 1.00 0.00 N ATOM 531 CA PRO A 36 -0.640 -9.826 -3.220 1.00 0.00 C ATOM 532 C PRO A 36 -1.740 -10.604 -2.506 1.00 0.00 C ATOM 533 O PRO A 36 -2.231 -11.611 -3.015 1.00 0.00 O ATOM 534 CB PRO A 36 0.738 -10.341 -2.798 1.00 0.00 C ATOM 535 CG PRO A 36 1.160 -9.432 -1.695 1.00 0.00 C ATOM 536 CD PRO A 36 0.577 -8.085 -2.022 1.00 0.00 C ATOM 0 HA PRO A 36 -0.849 -9.949 -4.283 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.688 -11.376 -2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.444 -10.310 -3.628 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.796 -9.791 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 36 2.247 -9.381 -1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.311 -7.533 -1.121 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.281 -7.467 -2.578 1.00 0.00 H new ATOM 544 N GLU A 37 -2.123 -10.128 -1.325 1.00 0.00 N ATOM 545 CA GLU A 37 -3.166 -10.780 -0.542 1.00 0.00 C ATOM 546 C GLU A 37 -4.421 -10.999 -1.382 1.00 0.00 C ATOM 547 O GLU A 37 -5.089 -12.027 -1.264 1.00 0.00 O ATOM 548 CB GLU A 37 -3.506 -9.944 0.693 1.00 0.00 C ATOM 549 CG GLU A 37 -2.290 -9.321 1.360 1.00 0.00 C ATOM 550 CD GLU A 37 -1.168 -10.319 1.574 1.00 0.00 C ATOM 551 OE1 GLU A 37 -0.661 -10.866 0.573 1.00 0.00 O ATOM 552 OE2 GLU A 37 -0.798 -10.551 2.744 1.00 0.00 O ATOM 0 H GLU A 37 -1.727 -9.295 -0.890 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.790 -11.752 -0.222 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.198 -9.152 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.024 -10.574 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.926 -8.497 0.747 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.584 -8.898 2.321 1.00 0.00 H new ATOM 559 N PHE A 38 -4.736 -10.026 -2.230 1.00 0.00 N ATOM 560 CA PHE A 38 -5.911 -10.110 -3.089 1.00 0.00 C ATOM 561 C PHE A 38 -5.640 -11.005 -4.295 1.00 0.00 C ATOM 562 O PHE A 38 -6.563 -11.403 -5.007 1.00 0.00 O ATOM 563 CB PHE A 38 -6.327 -8.714 -3.559 1.00 0.00 C ATOM 564 CG PHE A 38 -6.773 -7.814 -2.443 1.00 0.00 C ATOM 565 CD1 PHE A 38 -5.855 -7.303 -1.539 1.00 0.00 C ATOM 566 CD2 PHE A 38 -8.109 -7.478 -2.298 1.00 0.00 C ATOM 567 CE1 PHE A 38 -6.263 -6.475 -0.510 1.00 0.00 C ATOM 568 CE2 PHE A 38 -8.523 -6.650 -1.271 1.00 0.00 C ATOM 569 CZ PHE A 38 -7.598 -6.147 -0.377 1.00 0.00 C ATOM 0 H PHE A 38 -4.193 -9.169 -2.341 1.00 0.00 H new ATOM 0 HA PHE A 38 -6.724 -10.547 -2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.488 -8.249 -4.077 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -7.136 -8.809 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.810 -7.554 -1.640 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -8.836 -7.867 -2.995 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.538 -6.085 0.189 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -9.568 -6.397 -1.168 1.00 0.00 H new ATOM 0 HZ PHE A 38 -7.918 -5.498 0.425 1.00 0.00 H new ATOM 579 N PHE A 39 -4.368 -11.318 -4.518 1.00 0.00 N ATOM 580 CA PHE A 39 -3.974 -12.165 -5.638 1.00 0.00 C ATOM 581 C PHE A 39 -3.462 -13.515 -5.145 1.00 0.00 C ATOM 582 O PHE A 39 -2.858 -14.274 -5.901 1.00 0.00 O ATOM 583 CB PHE A 39 -2.896 -11.472 -6.474 1.00 0.00 C ATOM 584 CG PHE A 39 -3.292 -10.104 -6.949 1.00 0.00 C ATOM 585 CD1 PHE A 39 -4.246 -9.951 -7.942 1.00 0.00 C ATOM 586 CD2 PHE A 39 -2.711 -8.971 -6.403 1.00 0.00 C ATOM 587 CE1 PHE A 39 -4.614 -8.693 -8.382 1.00 0.00 C ATOM 588 CE2 PHE A 39 -3.075 -7.710 -6.839 1.00 0.00 C ATOM 589 CZ PHE A 39 -4.026 -7.571 -7.830 1.00 0.00 C ATOM 0 H PHE A 39 -3.592 -10.998 -3.938 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.853 -12.335 -6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.984 -11.392 -5.882 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.662 -12.094 -7.338 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.708 -10.825 -8.378 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.966 -9.074 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.360 -8.587 -9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -2.616 -6.835 -6.404 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.310 -6.587 -8.173 1.00 0.00 H new ATOM 599 N GLU A 40 -3.710 -13.806 -3.872 1.00 0.00 N ATOM 600 CA GLU A 40 -3.273 -15.064 -3.278 1.00 0.00 C ATOM 601 C GLU A 40 -4.377 -16.114 -3.353 1.00 0.00 C ATOM 602 O GLU A 40 -4.591 -16.875 -2.411 1.00 0.00 O ATOM 603 CB GLU A 40 -2.858 -14.849 -1.821 1.00 0.00 C ATOM 604 CG GLU A 40 -1.401 -14.450 -1.655 1.00 0.00 C ATOM 605 CD GLU A 40 -0.857 -14.785 -0.280 1.00 0.00 C ATOM 606 OE1 GLU A 40 -1.414 -15.693 0.373 1.00 0.00 O ATOM 607 OE2 GLU A 40 0.124 -14.140 0.144 1.00 0.00 O ATOM 0 H GLU A 40 -4.211 -13.189 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.414 -15.424 -3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.490 -14.076 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.041 -15.766 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.801 -14.956 -2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -1.299 -13.379 -1.831 1.00 0.00 H new ATOM 614 N GLY A 41 -5.077 -16.148 -4.483 1.00 0.00 N ATOM 615 CA GLY A 41 -6.152 -17.107 -4.662 1.00 0.00 C ATOM 616 C GLY A 41 -6.895 -17.392 -3.372 1.00 0.00 C ATOM 617 O GLY A 41 -7.067 -18.550 -2.990 1.00 0.00 O ATOM 0 H GLY A 41 -4.919 -15.529 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.853 -16.728 -5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.743 -18.038 -5.055 1.00 0.00 H new ATOM 621 N ARG A 42 -7.334 -16.335 -2.697 1.00 0.00 N ATOM 622 CA ARG A 42 -8.060 -16.477 -1.441 1.00 0.00 C ATOM 623 C ARG A 42 -9.566 -16.416 -1.673 1.00 0.00 C ATOM 624 O ARG A 42 -10.025 -16.338 -2.813 1.00 0.00 O ATOM 625 CB ARG A 42 -7.640 -15.383 -0.458 1.00 0.00 C ATOM 626 CG ARG A 42 -6.256 -15.594 0.134 1.00 0.00 C ATOM 627 CD ARG A 42 -5.870 -14.458 1.067 1.00 0.00 C ATOM 628 NE ARG A 42 -4.635 -14.742 1.794 1.00 0.00 N ATOM 629 CZ ARG A 42 -4.178 -13.990 2.789 1.00 0.00 C ATOM 630 NH1 ARG A 42 -4.851 -12.914 3.174 1.00 0.00 N ATOM 631 NH2 ARG A 42 -3.046 -14.313 3.402 1.00 0.00 N ATOM 0 H ARG A 42 -7.199 -15.370 -2.999 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.815 -17.451 -1.017 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.665 -14.420 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.368 -15.334 0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.232 -16.538 0.679 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.523 -15.671 -0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.749 -13.541 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.677 -14.283 1.778 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.094 -15.563 1.523 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.722 -12.662 2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.498 -12.338 3.938 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.525 -15.140 3.109 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.697 -13.734 4.166 1.00 0.00 H new ATOM 645 N GLN A 43 -10.330 -16.453 -0.586 1.00 0.00 N ATOM 646 CA GLN A 43 -11.784 -16.403 -0.672 1.00 0.00 C ATOM 647 C GLN A 43 -12.278 -14.961 -0.707 1.00 0.00 C ATOM 648 O GLN A 43 -12.761 -14.485 -1.734 1.00 0.00 O ATOM 649 CB GLN A 43 -12.412 -17.141 0.511 1.00 0.00 C ATOM 650 CG GLN A 43 -11.644 -18.385 0.929 1.00 0.00 C ATOM 651 CD GLN A 43 -12.053 -19.615 0.143 1.00 0.00 C ATOM 652 OE1 GLN A 43 -13.241 -19.876 -0.051 1.00 0.00 O ATOM 653 NE2 GLN A 43 -11.068 -20.379 -0.316 1.00 0.00 N ATOM 0 H GLN A 43 -9.966 -16.517 0.365 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.085 -16.893 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -12.476 -16.461 1.360 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -13.432 -17.424 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.577 -18.211 0.794 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -11.806 -18.567 1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.097 -20.125 -0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.282 -21.220 -0.853 1.00 0.00 H new ATOM 662 N ALA A 44 -12.155 -14.271 0.422 1.00 0.00 N ATOM 663 CA ALA A 44 -12.588 -12.882 0.520 1.00 0.00 C ATOM 664 C ALA A 44 -11.577 -11.945 -0.133 1.00 0.00 C ATOM 665 O ALA A 44 -11.948 -10.938 -0.735 1.00 0.00 O ATOM 666 CB ALA A 44 -12.803 -12.498 1.976 1.00 0.00 C ATOM 0 H ALA A 44 -11.759 -14.651 1.282 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.533 -12.783 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -13.126 -11.459 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.568 -13.141 2.413 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -11.870 -12.619 2.526 1.00 0.00 H new ATOM 672 N LYS A 45 -10.298 -12.283 -0.009 1.00 0.00 N ATOM 673 CA LYS A 45 -9.232 -11.473 -0.586 1.00 0.00 C ATOM 674 C LYS A 45 -9.087 -11.750 -2.079 1.00 0.00 C ATOM 675 O LYS A 45 -8.083 -12.308 -2.523 1.00 0.00 O ATOM 676 CB LYS A 45 -7.908 -11.752 0.127 1.00 0.00 C ATOM 677 CG LYS A 45 -7.730 -10.962 1.412 1.00 0.00 C ATOM 678 CD LYS A 45 -7.024 -9.640 1.160 1.00 0.00 C ATOM 679 CE LYS A 45 -7.318 -8.633 2.262 1.00 0.00 C ATOM 680 NZ LYS A 45 -6.859 -9.117 3.593 1.00 0.00 N ATOM 0 H LYS A 45 -9.974 -13.114 0.487 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.494 -10.423 -0.453 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.844 -12.816 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.085 -11.520 -0.549 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.704 -10.775 1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.156 -11.552 2.126 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.949 -9.807 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.342 -9.234 0.200 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.827 -7.688 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.389 -8.436 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.969 -8.358 4.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.429 -9.938 3.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.858 -9.394 3.536 1.00 0.00 H new ATOM 694 N THR A 46 -10.095 -11.354 -2.851 1.00 0.00 N ATOM 695 CA THR A 46 -10.079 -11.559 -4.294 1.00 0.00 C ATOM 696 C THR A 46 -9.543 -10.330 -5.018 1.00 0.00 C ATOM 697 O THR A 46 -9.664 -9.199 -4.546 1.00 0.00 O ATOM 698 CB THR A 46 -11.485 -11.885 -4.831 1.00 0.00 C ATOM 699 OG1 THR A 46 -12.348 -10.755 -4.662 1.00 0.00 O ATOM 700 CG2 THR A 46 -12.073 -13.090 -4.112 1.00 0.00 C ATOM 0 H THR A 46 -10.933 -10.889 -2.500 1.00 0.00 H new ATOM 0 HA THR A 46 -9.420 -12.406 -4.485 1.00 0.00 H new ATOM 0 HB THR A 46 -11.399 -12.121 -5.892 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.240 -10.970 -5.007 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.066 -13.301 -4.508 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.429 -13.956 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.146 -12.878 -3.045 1.00 0.00 H new ATOM 708 N PRO A 47 -8.936 -10.552 -6.194 1.00 0.00 N ATOM 709 CA PRO A 47 -8.370 -9.473 -7.009 1.00 0.00 C ATOM 710 C PRO A 47 -9.447 -8.584 -7.622 1.00 0.00 C ATOM 711 O PRO A 47 -9.270 -7.372 -7.741 1.00 0.00 O ATOM 712 CB PRO A 47 -7.606 -10.220 -8.105 1.00 0.00 C ATOM 713 CG PRO A 47 -8.285 -11.542 -8.206 1.00 0.00 C ATOM 714 CD PRO A 47 -8.756 -11.874 -6.817 1.00 0.00 C ATOM 0 HA PRO A 47 -7.748 -8.800 -6.419 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.645 -9.682 -9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.553 -10.334 -7.846 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.123 -11.498 -8.902 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.601 -12.304 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -9.687 -12.441 -6.833 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.025 -12.476 -6.278 1.00 0.00 H new ATOM 722 N GLU A 48 -10.563 -9.195 -8.007 1.00 0.00 N ATOM 723 CA GLU A 48 -11.668 -8.457 -8.608 1.00 0.00 C ATOM 724 C GLU A 48 -12.220 -7.417 -7.637 1.00 0.00 C ATOM 725 O GLU A 48 -12.738 -6.380 -8.050 1.00 0.00 O ATOM 726 CB GLU A 48 -12.781 -9.417 -9.032 1.00 0.00 C ATOM 727 CG GLU A 48 -12.453 -10.216 -10.282 1.00 0.00 C ATOM 728 CD GLU A 48 -13.693 -10.713 -10.999 1.00 0.00 C ATOM 729 OE1 GLU A 48 -14.445 -11.510 -10.400 1.00 0.00 O ATOM 730 OE2 GLU A 48 -13.912 -10.305 -12.159 1.00 0.00 O ATOM 0 H GLU A 48 -10.726 -10.198 -7.914 1.00 0.00 H new ATOM 0 HA GLU A 48 -11.289 -7.940 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -12.985 -10.107 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.694 -8.847 -9.204 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.869 -9.596 -10.962 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.829 -11.067 -10.011 1.00 0.00 H new ATOM 737 N ARG A 49 -12.106 -7.705 -6.344 1.00 0.00 N ATOM 738 CA ARG A 49 -12.595 -6.797 -5.314 1.00 0.00 C ATOM 739 C ARG A 49 -11.656 -5.606 -5.148 1.00 0.00 C ATOM 740 O ARG A 49 -12.099 -4.461 -5.048 1.00 0.00 O ATOM 741 CB ARG A 49 -12.740 -7.534 -3.981 1.00 0.00 C ATOM 742 CG ARG A 49 -13.689 -6.854 -3.009 1.00 0.00 C ATOM 743 CD ARG A 49 -13.925 -7.706 -1.772 1.00 0.00 C ATOM 744 NE ARG A 49 -14.624 -8.949 -2.089 1.00 0.00 N ATOM 745 CZ ARG A 49 -15.005 -9.832 -1.173 1.00 0.00 C ATOM 746 NH1 ARG A 49 -14.757 -9.610 0.111 1.00 0.00 N ATOM 747 NH2 ARG A 49 -15.637 -10.940 -1.539 1.00 0.00 N ATOM 0 H ARG A 49 -11.680 -8.559 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.572 -6.427 -5.626 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.094 -8.547 -4.172 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.758 -7.622 -3.516 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.279 -5.888 -2.714 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.640 -6.658 -3.504 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.969 -7.937 -1.303 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.507 -7.138 -1.046 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.831 -9.150 -3.067 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.272 -8.759 0.397 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.051 -10.290 0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.831 -11.115 -2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.929 -11.617 -0.834 1.00 0.00 H new ATOM 761 N TYR A 50 -10.357 -5.883 -5.121 1.00 0.00 N ATOM 762 CA TYR A 50 -9.355 -4.835 -4.965 1.00 0.00 C ATOM 763 C TYR A 50 -9.560 -3.728 -5.994 1.00 0.00 C ATOM 764 O TYR A 50 -9.408 -2.544 -5.689 1.00 0.00 O ATOM 765 CB TYR A 50 -7.948 -5.420 -5.102 1.00 0.00 C ATOM 766 CG TYR A 50 -6.885 -4.382 -5.379 1.00 0.00 C ATOM 767 CD1 TYR A 50 -6.625 -3.954 -6.675 1.00 0.00 C ATOM 768 CD2 TYR A 50 -6.139 -3.830 -4.344 1.00 0.00 C ATOM 769 CE1 TYR A 50 -5.654 -3.006 -6.932 1.00 0.00 C ATOM 770 CE2 TYR A 50 -5.167 -2.881 -4.593 1.00 0.00 C ATOM 771 CZ TYR A 50 -4.927 -2.472 -5.888 1.00 0.00 C ATOM 772 OH TYR A 50 -3.959 -1.528 -6.139 1.00 0.00 O ATOM 0 H TYR A 50 -9.973 -6.824 -5.205 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.467 -4.406 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.694 -5.952 -4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.946 -6.154 -5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.192 -4.370 -7.495 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.323 -4.148 -3.328 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -5.465 -2.684 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.597 -2.461 -3.777 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.542 -1.255 -5.295 1.00 0.00 H new ATOM 782 N LEU A 51 -9.906 -4.121 -7.215 1.00 0.00 N ATOM 783 CA LEU A 51 -10.133 -3.163 -8.291 1.00 0.00 C ATOM 784 C LEU A 51 -11.262 -2.200 -7.935 1.00 0.00 C ATOM 785 O LEU A 51 -11.074 -0.983 -7.922 1.00 0.00 O ATOM 786 CB LEU A 51 -10.465 -3.896 -9.592 1.00 0.00 C ATOM 787 CG LEU A 51 -9.276 -4.250 -10.485 1.00 0.00 C ATOM 788 CD1 LEU A 51 -9.755 -4.730 -11.847 1.00 0.00 C ATOM 789 CD2 LEU A 51 -8.347 -3.054 -10.635 1.00 0.00 C ATOM 0 H LEU A 51 -10.035 -5.096 -7.484 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.218 -2.586 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.993 -4.816 -9.342 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.155 -3.279 -10.167 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.720 -5.060 -10.013 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.895 -4.977 -12.469 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.379 -5.615 -11.722 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.335 -3.942 -12.327 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.506 -3.324 -11.274 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.892 -2.224 -11.084 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.976 -2.756 -9.654 1.00 0.00 H new ATOM 801 N LYS A 52 -12.434 -2.753 -7.643 1.00 0.00 N ATOM 802 CA LYS A 52 -13.593 -1.946 -7.282 1.00 0.00 C ATOM 803 C LYS A 52 -13.204 -0.843 -6.302 1.00 0.00 C ATOM 804 O LYS A 52 -13.493 0.332 -6.530 1.00 0.00 O ATOM 805 CB LYS A 52 -14.684 -2.827 -6.669 1.00 0.00 C ATOM 806 CG LYS A 52 -16.005 -2.106 -6.464 1.00 0.00 C ATOM 807 CD LYS A 52 -17.172 -3.078 -6.438 1.00 0.00 C ATOM 808 CE LYS A 52 -18.499 -2.351 -6.278 1.00 0.00 C ATOM 809 NZ LYS A 52 -19.636 -3.146 -6.820 1.00 0.00 N ATOM 0 H LYS A 52 -12.606 -3.758 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.978 -1.482 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -14.847 -3.690 -7.314 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.335 -3.208 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.974 -1.548 -5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -16.152 -1.380 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.183 -3.660 -7.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -17.041 -3.784 -5.618 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.673 -2.141 -5.223 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.451 -1.390 -6.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.522 -2.617 -6.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -19.483 -3.325 -7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -19.698 -4.052 -6.314 1.00 0.00 H new ATOM 823 N ILE A 53 -12.548 -1.230 -5.214 1.00 0.00 N ATOM 824 CA ILE A 53 -12.117 -0.274 -4.202 1.00 0.00 C ATOM 825 C ILE A 53 -11.113 0.720 -4.776 1.00 0.00 C ATOM 826 O ILE A 53 -11.165 1.913 -4.477 1.00 0.00 O ATOM 827 CB ILE A 53 -11.486 -0.983 -2.989 1.00 0.00 C ATOM 828 CG1 ILE A 53 -12.523 -1.861 -2.287 1.00 0.00 C ATOM 829 CG2 ILE A 53 -10.905 0.037 -2.022 1.00 0.00 C ATOM 830 CD1 ILE A 53 -11.918 -2.857 -1.322 1.00 0.00 C ATOM 0 H ILE A 53 -12.303 -2.199 -5.010 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.008 0.262 -3.875 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.676 -1.622 -3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.222 -1.222 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -13.100 -2.400 -3.039 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -10.463 -0.480 -1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -10.138 0.623 -2.529 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.697 0.700 -1.673 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.712 -3.445 -0.861 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.241 -3.520 -1.860 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -11.365 -2.324 -0.548 1.00 0.00 H new ATOM 842 N ARG A 54 -10.201 0.220 -5.602 1.00 0.00 N ATOM 843 CA ARG A 54 -9.184 1.063 -6.219 1.00 0.00 C ATOM 844 C ARG A 54 -9.827 2.172 -7.047 1.00 0.00 C ATOM 845 O ARG A 54 -9.673 3.355 -6.744 1.00 0.00 O ATOM 846 CB ARG A 54 -8.261 0.223 -7.103 1.00 0.00 C ATOM 847 CG ARG A 54 -7.310 1.051 -7.952 1.00 0.00 C ATOM 848 CD ARG A 54 -6.980 0.352 -9.262 1.00 0.00 C ATOM 849 NE ARG A 54 -5.800 -0.500 -9.145 1.00 0.00 N ATOM 850 CZ ARG A 54 -5.442 -1.390 -10.064 1.00 0.00 C ATOM 851 NH1 ARG A 54 -6.170 -1.543 -11.162 1.00 0.00 N ATOM 852 NH2 ARG A 54 -4.355 -2.129 -9.886 1.00 0.00 N ATOM 0 H ARG A 54 -10.145 -0.765 -5.860 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.596 1.520 -5.423 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.679 -0.449 -6.471 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.869 -0.402 -7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.758 2.023 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.391 1.236 -7.396 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -7.832 -0.250 -9.576 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.813 1.098 -10.039 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.219 -0.407 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.007 -0.977 -11.302 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.893 -2.227 -11.866 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.793 -2.014 -9.043 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -4.081 -2.812 -10.592 1.00 0.00 H new ATOM 866 N ASN A 55 -10.548 1.781 -8.093 1.00 0.00 N ATOM 867 CA ASN A 55 -11.214 2.742 -8.965 1.00 0.00 C ATOM 868 C ASN A 55 -11.866 3.855 -8.150 1.00 0.00 C ATOM 869 O ASN A 55 -11.761 5.033 -8.492 1.00 0.00 O ATOM 870 CB ASN A 55 -12.266 2.039 -9.824 1.00 0.00 C ATOM 871 CG ASN A 55 -11.668 1.399 -11.062 1.00 0.00 C ATOM 872 OD1 ASN A 55 -12.240 1.471 -12.149 1.00 0.00 O ATOM 873 ND2 ASN A 55 -10.511 0.767 -10.901 1.00 0.00 N ATOM 0 H ASN A 55 -10.686 0.806 -8.357 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.462 3.186 -9.616 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.766 1.275 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -13.028 2.759 -10.123 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.061 0.316 -11.698 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.072 0.733 -9.981 1.00 0.00 H new ATOM 880 N TYR A 56 -12.541 3.473 -7.071 1.00 0.00 N ATOM 881 CA TYR A 56 -13.212 4.437 -6.208 1.00 0.00 C ATOM 882 C TYR A 56 -12.213 5.423 -5.612 1.00 0.00 C ATOM 883 O TYR A 56 -12.404 6.638 -5.685 1.00 0.00 O ATOM 884 CB TYR A 56 -13.963 3.715 -5.088 1.00 0.00 C ATOM 885 CG TYR A 56 -14.827 4.630 -4.250 1.00 0.00 C ATOM 886 CD1 TYR A 56 -14.294 5.325 -3.172 1.00 0.00 C ATOM 887 CD2 TYR A 56 -16.176 4.798 -4.536 1.00 0.00 C ATOM 888 CE1 TYR A 56 -15.080 6.162 -2.403 1.00 0.00 C ATOM 889 CE2 TYR A 56 -16.969 5.634 -3.773 1.00 0.00 C ATOM 890 CZ TYR A 56 -16.416 6.313 -2.708 1.00 0.00 C ATOM 891 OH TYR A 56 -17.203 7.145 -1.945 1.00 0.00 O ATOM 0 H TYR A 56 -12.638 2.502 -6.774 1.00 0.00 H new ATOM 0 HA TYR A 56 -13.926 4.994 -6.815 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -14.589 2.937 -5.525 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.241 3.217 -4.440 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.248 5.209 -2.931 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -16.612 4.266 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -14.650 6.695 -1.568 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -18.016 5.755 -4.010 1.00 0.00 H new ATOM 0 HH TYR A 56 -18.119 7.140 -2.294 1.00 0.00 H new ATOM 901 N ILE A 57 -11.147 4.892 -5.022 1.00 0.00 N ATOM 902 CA ILE A 57 -10.116 5.724 -4.415 1.00 0.00 C ATOM 903 C ILE A 57 -9.491 6.662 -5.442 1.00 0.00 C ATOM 904 O ILE A 57 -9.520 7.883 -5.284 1.00 0.00 O ATOM 905 CB ILE A 57 -9.007 4.869 -3.774 1.00 0.00 C ATOM 906 CG1 ILE A 57 -9.550 4.120 -2.555 1.00 0.00 C ATOM 907 CG2 ILE A 57 -7.825 5.742 -3.383 1.00 0.00 C ATOM 908 CD1 ILE A 57 -8.564 3.141 -1.959 1.00 0.00 C ATOM 0 H ILE A 57 -10.975 3.889 -4.952 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.603 6.313 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.666 4.136 -4.505 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.837 4.844 -1.792 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -10.454 3.583 -2.842 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.049 5.123 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.426 6.233 -4.271 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.151 6.496 -2.666 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.016 2.647 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.295 2.395 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.668 3.675 -1.641 1.00 0.00 H new ATOM 920 N LEU A 58 -8.926 6.083 -6.496 1.00 0.00 N ATOM 921 CA LEU A 58 -8.294 6.867 -7.552 1.00 0.00 C ATOM 922 C LEU A 58 -9.247 7.932 -8.084 1.00 0.00 C ATOM 923 O LEU A 58 -8.832 9.046 -8.403 1.00 0.00 O ATOM 924 CB LEU A 58 -7.844 5.952 -8.693 1.00 0.00 C ATOM 925 CG LEU A 58 -6.534 5.196 -8.470 1.00 0.00 C ATOM 926 CD1 LEU A 58 -6.383 4.078 -9.490 1.00 0.00 C ATOM 927 CD2 LEU A 58 -5.349 6.149 -8.541 1.00 0.00 C ATOM 0 H LEU A 58 -8.893 5.074 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.422 7.366 -7.129 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.633 5.224 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.744 6.554 -9.596 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.558 4.752 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.445 3.551 -9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.215 3.381 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.381 4.500 -10.495 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.425 5.593 -8.380 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.321 6.623 -9.522 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.451 6.914 -7.772 1.00 0.00 H new ATOM 939 N ASP A 59 -10.525 7.582 -8.175 1.00 0.00 N ATOM 940 CA ASP A 59 -11.538 8.509 -8.665 1.00 0.00 C ATOM 941 C ASP A 59 -11.696 9.694 -7.717 1.00 0.00 C ATOM 942 O ASP A 59 -11.642 10.849 -8.138 1.00 0.00 O ATOM 943 CB ASP A 59 -12.879 7.792 -8.832 1.00 0.00 C ATOM 944 CG ASP A 59 -13.885 8.617 -9.610 1.00 0.00 C ATOM 945 OD1 ASP A 59 -13.457 9.448 -10.439 1.00 0.00 O ATOM 946 OD2 ASP A 59 -15.100 8.433 -9.390 1.00 0.00 O ATOM 0 H ASP A 59 -10.884 6.663 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.212 8.884 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.719 6.843 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -13.288 7.559 -7.849 1.00 0.00 H new ATOM 951 N GLN A 60 -11.892 9.397 -6.436 1.00 0.00 N ATOM 952 CA GLN A 60 -12.059 10.438 -5.429 1.00 0.00 C ATOM 953 C GLN A 60 -10.869 11.392 -5.428 1.00 0.00 C ATOM 954 O GLN A 60 -11.037 12.610 -5.366 1.00 0.00 O ATOM 955 CB GLN A 60 -12.228 9.814 -4.043 1.00 0.00 C ATOM 956 CG GLN A 60 -13.524 9.036 -3.879 1.00 0.00 C ATOM 957 CD GLN A 60 -14.739 9.828 -4.320 1.00 0.00 C ATOM 958 OE1 GLN A 60 -15.011 10.910 -3.800 1.00 0.00 O ATOM 959 NE2 GLN A 60 -15.479 9.291 -5.283 1.00 0.00 N ATOM 0 H GLN A 60 -11.939 8.445 -6.072 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.956 11.006 -5.676 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.387 9.148 -3.849 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.190 10.603 -3.292 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.466 8.114 -4.458 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.642 8.749 -2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.217 8.392 -5.686 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.310 9.778 -5.620 1.00 0.00 H new ATOM 968 N TRP A 61 -9.668 10.830 -5.497 1.00 0.00 N ATOM 969 CA TRP A 61 -8.449 11.631 -5.504 1.00 0.00 C ATOM 970 C TRP A 61 -8.569 12.797 -6.479 1.00 0.00 C ATOM 971 O TRP A 61 -8.345 13.950 -6.111 1.00 0.00 O ATOM 972 CB TRP A 61 -7.245 10.762 -5.875 1.00 0.00 C ATOM 973 CG TRP A 61 -6.157 11.522 -6.571 1.00 0.00 C ATOM 974 CD1 TRP A 61 -5.566 11.203 -7.760 1.00 0.00 C ATOM 975 CD2 TRP A 61 -5.528 12.726 -6.119 1.00 0.00 C ATOM 976 NE1 TRP A 61 -4.608 12.136 -8.075 1.00 0.00 N ATOM 977 CE2 TRP A 61 -4.566 13.082 -7.084 1.00 0.00 C ATOM 978 CE3 TRP A 61 -5.686 13.540 -4.993 1.00 0.00 C ATOM 979 CZ2 TRP A 61 -3.766 14.214 -6.955 1.00 0.00 C ATOM 980 CZ3 TRP A 61 -4.891 14.663 -4.867 1.00 0.00 C ATOM 981 CH2 TRP A 61 -3.941 14.992 -5.844 1.00 0.00 C ATOM 0 H TRP A 61 -9.512 9.823 -5.549 1.00 0.00 H new ATOM 0 HA TRP A 61 -8.303 12.033 -4.502 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -6.840 10.309 -4.970 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -7.578 9.947 -6.518 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.815 10.343 -8.364 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -4.023 12.126 -8.911 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.416 13.295 -4.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.033 14.469 -7.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.003 15.298 -4.001 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.335 15.877 -5.717 1.00 0.00 H new ATOM 992 N GLU A 62 -8.925 12.489 -7.722 1.00 0.00 N ATOM 993 CA GLU A 62 -9.074 13.514 -8.749 1.00 0.00 C ATOM 994 C GLU A 62 -10.302 14.379 -8.480 1.00 0.00 C ATOM 995 O GLU A 62 -10.383 15.520 -8.935 1.00 0.00 O ATOM 996 CB GLU A 62 -9.185 12.869 -10.132 1.00 0.00 C ATOM 997 CG GLU A 62 -8.411 11.568 -10.261 1.00 0.00 C ATOM 998 CD GLU A 62 -7.947 11.303 -11.680 1.00 0.00 C ATOM 999 OE1 GLU A 62 -6.896 11.853 -12.072 1.00 0.00 O ATOM 1000 OE2 GLU A 62 -8.634 10.547 -12.398 1.00 0.00 O ATOM 0 H GLU A 62 -9.115 11.539 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.189 14.150 -8.722 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.236 12.680 -10.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.824 13.573 -10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.545 11.598 -9.599 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.039 10.742 -9.928 1.00 0.00 H new ATOM 1007 N ILE A 63 -11.256 13.828 -7.737 1.00 0.00 N ATOM 1008 CA ILE A 63 -12.479 14.548 -7.406 1.00 0.00 C ATOM 1009 C ILE A 63 -12.215 15.628 -6.362 1.00 0.00 C ATOM 1010 O ILE A 63 -12.971 16.595 -6.250 1.00 0.00 O ATOM 1011 CB ILE A 63 -13.569 13.596 -6.879 1.00 0.00 C ATOM 1012 CG1 ILE A 63 -14.080 12.697 -8.007 1.00 0.00 C ATOM 1013 CG2 ILE A 63 -14.713 14.389 -6.266 1.00 0.00 C ATOM 1014 CD1 ILE A 63 -14.904 11.526 -7.520 1.00 0.00 C ATOM 0 H ILE A 63 -11.205 12.885 -7.353 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.830 15.013 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.136 12.964 -6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -14.682 13.294 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.229 12.321 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.475 13.702 -5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.336 14.990 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -15.148 15.043 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -15.233 10.932 -8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -14.299 10.906 -6.858 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.775 11.894 -6.977 1.00 0.00 H new ATOM 1026 N CYS A 64 -11.139 15.459 -5.603 1.00 0.00 N ATOM 1027 CA CYS A 64 -10.775 16.420 -4.568 1.00 0.00 C ATOM 1028 C CYS A 64 -9.561 17.241 -4.992 1.00 0.00 C ATOM 1029 O CYS A 64 -9.448 18.421 -4.658 1.00 0.00 O ATOM 1030 CB CYS A 64 -10.483 15.698 -3.252 1.00 0.00 C ATOM 1031 SG CYS A 64 -11.936 15.457 -2.204 1.00 0.00 S ATOM 0 H CYS A 64 -10.503 14.666 -5.684 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.617 17.097 -4.423 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -10.043 14.726 -3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -9.737 16.266 -2.696 1.00 0.00 H new ATOM 0 HG CYS A 64 -11.588 14.836 -1.116 1.00 0.00 H new ATOM 1037 N LYS A 65 -8.654 16.609 -5.729 1.00 0.00 N ATOM 1038 CA LYS A 65 -7.447 17.279 -6.199 1.00 0.00 C ATOM 1039 C LYS A 65 -7.771 18.670 -6.735 1.00 0.00 C ATOM 1040 O LYS A 65 -8.888 18.949 -7.173 1.00 0.00 O ATOM 1041 CB LYS A 65 -6.768 16.447 -7.288 1.00 0.00 C ATOM 1042 CG LYS A 65 -7.224 16.797 -8.694 1.00 0.00 C ATOM 1043 CD LYS A 65 -6.463 16.002 -9.742 1.00 0.00 C ATOM 1044 CE LYS A 65 -5.099 16.613 -10.024 1.00 0.00 C ATOM 1045 NZ LYS A 65 -5.162 17.631 -11.110 1.00 0.00 N ATOM 0 H LYS A 65 -8.732 15.633 -6.014 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.767 17.383 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.689 16.586 -7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.966 15.391 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.292 16.600 -8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.080 17.863 -8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.339 14.974 -9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.043 15.964 -10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.713 17.075 -9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.399 15.826 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.213 18.024 -11.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.507 17.185 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.810 18.395 -10.832 1.00 0.00 H new ATOM 1059 N PRO A 66 -6.773 19.565 -6.702 1.00 0.00 N ATOM 1060 CA PRO A 66 -5.440 19.246 -6.182 1.00 0.00 C ATOM 1061 C PRO A 66 -5.440 19.044 -4.670 1.00 0.00 C ATOM 1062 O PRO A 66 -4.404 18.751 -4.072 1.00 0.00 O ATOM 1063 CB PRO A 66 -4.609 20.475 -6.557 1.00 0.00 C ATOM 1064 CG PRO A 66 -5.598 21.584 -6.662 1.00 0.00 C ATOM 1065 CD PRO A 66 -6.868 20.959 -7.168 1.00 0.00 C ATOM 0 HA PRO A 66 -5.055 18.313 -6.593 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.854 20.688 -5.800 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.082 20.324 -7.499 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.756 22.059 -5.694 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.245 22.358 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.749 21.458 -6.765 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.938 21.015 -8.254 1.00 0.00 H new ATOM 1073 N LYS A 67 -6.608 19.201 -4.057 1.00 0.00 N ATOM 1074 CA LYS A 67 -6.745 19.035 -2.615 1.00 0.00 C ATOM 1075 C LYS A 67 -6.346 17.625 -2.190 1.00 0.00 C ATOM 1076 O LYS A 67 -6.393 16.689 -2.989 1.00 0.00 O ATOM 1077 CB LYS A 67 -8.184 19.322 -2.182 1.00 0.00 C ATOM 1078 CG LYS A 67 -8.718 20.651 -2.688 1.00 0.00 C ATOM 1079 CD LYS A 67 -8.183 21.815 -1.872 1.00 0.00 C ATOM 1080 CE LYS A 67 -8.874 21.912 -0.521 1.00 0.00 C ATOM 1081 NZ LYS A 67 -10.272 22.409 -0.647 1.00 0.00 N ATOM 0 H LYS A 67 -7.475 19.443 -4.537 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.077 19.745 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.829 18.520 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.236 19.310 -1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.440 20.781 -3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.807 20.646 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.110 21.695 -1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.327 22.744 -2.423 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.879 20.932 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.308 22.580 0.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.628 22.686 0.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.292 23.232 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.874 21.656 -1.037 1.00 0.00 H new ATOM 1095 N TYR A 68 -5.956 17.480 -0.929 1.00 0.00 N ATOM 1096 CA TYR A 68 -5.549 16.185 -0.399 1.00 0.00 C ATOM 1097 C TYR A 68 -6.757 15.278 -0.188 1.00 0.00 C ATOM 1098 O TYR A 68 -7.884 15.751 -0.033 1.00 0.00 O ATOM 1099 CB TYR A 68 -4.795 16.364 0.920 1.00 0.00 C ATOM 1100 CG TYR A 68 -4.473 15.060 1.616 1.00 0.00 C ATOM 1101 CD1 TYR A 68 -3.523 14.189 1.098 1.00 0.00 C ATOM 1102 CD2 TYR A 68 -5.120 14.700 2.792 1.00 0.00 C ATOM 1103 CE1 TYR A 68 -3.227 12.997 1.730 1.00 0.00 C ATOM 1104 CE2 TYR A 68 -4.829 13.511 3.432 1.00 0.00 C ATOM 1105 CZ TYR A 68 -3.882 12.663 2.896 1.00 0.00 C ATOM 1106 OH TYR A 68 -3.589 11.476 3.530 1.00 0.00 O ATOM 0 H TYR A 68 -5.913 18.244 -0.255 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.888 15.715 -1.127 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -3.867 16.902 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.391 16.985 1.588 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.007 14.448 0.185 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -5.863 15.361 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.487 12.330 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.340 13.247 4.346 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.882 11.008 3.038 1.00 0.00 H new ATOM 1116 N LEU A 69 -6.515 13.972 -0.182 1.00 0.00 N ATOM 1117 CA LEU A 69 -7.583 12.997 0.010 1.00 0.00 C ATOM 1118 C LEU A 69 -7.263 12.062 1.172 1.00 0.00 C ATOM 1119 O LEU A 69 -6.186 11.469 1.227 1.00 0.00 O ATOM 1120 CB LEU A 69 -7.796 12.185 -1.268 1.00 0.00 C ATOM 1121 CG LEU A 69 -8.813 11.047 -1.180 1.00 0.00 C ATOM 1122 CD1 LEU A 69 -10.228 11.600 -1.104 1.00 0.00 C ATOM 1123 CD2 LEU A 69 -8.669 10.108 -2.369 1.00 0.00 C ATOM 0 H LEU A 69 -5.589 13.564 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.499 13.540 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.111 12.866 -2.059 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.837 11.765 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.616 10.481 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.938 10.775 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.325 12.230 -0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.436 12.191 -1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.401 9.304 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.838 10.662 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.665 9.684 -2.378 1.00 0.00 H new ATOM 1135 N ASN A 70 -8.207 11.933 2.099 1.00 0.00 N ATOM 1136 CA ASN A 70 -8.026 11.069 3.260 1.00 0.00 C ATOM 1137 C ASN A 70 -8.729 9.730 3.055 1.00 0.00 C ATOM 1138 O ASN A 70 -9.649 9.616 2.245 1.00 0.00 O ATOM 1139 CB ASN A 70 -8.562 11.752 4.519 1.00 0.00 C ATOM 1140 CG ASN A 70 -7.573 12.741 5.106 1.00 0.00 C ATOM 1141 OD1 ASN A 70 -6.693 12.369 5.882 1.00 0.00 O ATOM 1142 ND2 ASN A 70 -7.715 14.009 4.736 1.00 0.00 N ATOM 0 H ASN A 70 -9.105 12.416 2.069 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.959 10.885 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.491 12.270 4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.801 10.995 5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.080 14.720 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.459 14.271 4.090 1.00 0.00 H new ATOM 1149 N LYS A 71 -8.290 8.718 3.797 1.00 0.00 N ATOM 1150 CA LYS A 71 -8.877 7.387 3.700 1.00 0.00 C ATOM 1151 C LYS A 71 -10.196 7.318 4.463 1.00 0.00 C ATOM 1152 O LYS A 71 -11.044 6.469 4.183 1.00 0.00 O ATOM 1153 CB LYS A 71 -7.905 6.338 4.244 1.00 0.00 C ATOM 1154 CG LYS A 71 -7.489 6.584 5.684 1.00 0.00 C ATOM 1155 CD LYS A 71 -6.830 5.356 6.291 1.00 0.00 C ATOM 1156 CE LYS A 71 -7.863 4.377 6.827 1.00 0.00 C ATOM 1157 NZ LYS A 71 -7.227 3.239 7.547 1.00 0.00 N ATOM 0 H LYS A 71 -7.529 8.795 4.472 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.074 7.179 2.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.368 5.354 4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -7.015 6.319 3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.799 7.427 5.726 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.363 6.859 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.215 4.862 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.163 5.661 7.098 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.543 4.899 7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.464 3.995 6.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.964 2.594 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.598 2.725 6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.674 3.602 8.350 1.00 0.00 H new ATOM 1171 N THR A 72 -10.365 8.216 5.428 1.00 0.00 N ATOM 1172 CA THR A 72 -11.581 8.257 6.231 1.00 0.00 C ATOM 1173 C THR A 72 -12.789 8.628 5.379 1.00 0.00 C ATOM 1174 O THR A 72 -13.925 8.295 5.718 1.00 0.00 O ATOM 1175 CB THR A 72 -11.455 9.263 7.390 1.00 0.00 C ATOM 1176 OG1 THR A 72 -10.128 9.228 7.928 1.00 0.00 O ATOM 1177 CG2 THR A 72 -12.461 8.951 8.488 1.00 0.00 C ATOM 0 H THR A 72 -9.674 8.926 5.673 1.00 0.00 H new ATOM 0 HA THR A 72 -11.723 7.257 6.642 1.00 0.00 H new ATOM 0 HB THR A 72 -11.662 10.260 7.001 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.056 9.872 8.663 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.354 9.674 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 72 -13.471 9.007 8.083 1.00 0.00 H new ATOM 0 HG23 THR A 72 -12.280 7.947 8.873 1.00 0.00 H new ATOM 1185 N SER A 73 -12.538 9.320 4.273 1.00 0.00 N ATOM 1186 CA SER A 73 -13.607 9.739 3.374 1.00 0.00 C ATOM 1187 C SER A 73 -14.095 8.568 2.527 1.00 0.00 C ATOM 1188 O SER A 73 -15.274 8.485 2.182 1.00 0.00 O ATOM 1189 CB SER A 73 -13.124 10.873 2.467 1.00 0.00 C ATOM 1190 OG SER A 73 -14.214 11.636 1.980 1.00 0.00 O ATOM 0 H SER A 73 -11.604 9.603 3.978 1.00 0.00 H new ATOM 0 HA SER A 73 -14.439 10.097 3.981 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.442 11.519 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.563 10.459 1.629 1.00 0.00 H new ATOM 0 HG SER A 73 -13.879 12.355 1.404 1.00 0.00 H new ATOM 1196 N VAL A 74 -13.179 7.664 2.194 1.00 0.00 N ATOM 1197 CA VAL A 74 -13.515 6.496 1.388 1.00 0.00 C ATOM 1198 C VAL A 74 -13.872 5.304 2.270 1.00 0.00 C ATOM 1199 O VAL A 74 -14.417 4.309 1.794 1.00 0.00 O ATOM 1200 CB VAL A 74 -12.352 6.103 0.458 1.00 0.00 C ATOM 1201 CG1 VAL A 74 -12.064 7.216 -0.537 1.00 0.00 C ATOM 1202 CG2 VAL A 74 -11.110 5.769 1.271 1.00 0.00 C ATOM 0 H VAL A 74 -12.199 7.718 2.470 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.379 6.767 0.782 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.642 5.214 -0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.239 6.920 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.952 7.403 -1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.794 8.125 0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.298 5.493 0.598 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.815 6.638 1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -11.326 4.936 1.939 1.00 0.00 H new ATOM 1212 N ARG A 75 -13.561 5.414 3.557 1.00 0.00 N ATOM 1213 CA ARG A 75 -13.849 4.345 4.506 1.00 0.00 C ATOM 1214 C ARG A 75 -15.333 3.991 4.493 1.00 0.00 C ATOM 1215 O ARG A 75 -15.724 2.858 4.210 1.00 0.00 O ATOM 1216 CB ARG A 75 -13.424 4.758 5.916 1.00 0.00 C ATOM 1217 CG ARG A 75 -12.022 4.306 6.287 1.00 0.00 C ATOM 1218 CD ARG A 75 -11.775 4.425 7.783 1.00 0.00 C ATOM 1219 NE ARG A 75 -12.977 4.136 8.561 1.00 0.00 N ATOM 1220 CZ ARG A 75 -13.883 5.054 8.881 1.00 0.00 C ATOM 1221 NH1 ARG A 75 -13.724 6.311 8.493 1.00 0.00 N ATOM 1222 NH2 ARG A 75 -14.951 4.713 9.592 1.00 0.00 N ATOM 0 H ARG A 75 -13.110 6.232 3.967 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.281 3.464 4.206 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.481 5.843 6.000 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -14.132 4.345 6.635 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.878 3.272 5.975 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -11.290 4.907 5.747 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.980 3.738 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.427 5.432 8.014 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.129 3.178 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.904 6.576 7.947 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.421 7.013 8.740 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.076 3.746 9.893 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.646 5.418 9.838 1.00 0.00 H new ATOM 1236 N PRO A 76 -16.181 4.982 4.807 1.00 0.00 N ATOM 1237 CA PRO A 76 -17.635 4.799 4.838 1.00 0.00 C ATOM 1238 C PRO A 76 -18.225 4.603 3.446 1.00 0.00 C ATOM 1239 O PRO A 76 -19.406 4.291 3.299 1.00 0.00 O ATOM 1240 CB PRO A 76 -18.143 6.105 5.455 1.00 0.00 C ATOM 1241 CG PRO A 76 -17.087 7.108 5.141 1.00 0.00 C ATOM 1242 CD PRO A 76 -15.785 6.357 5.154 1.00 0.00 C ATOM 0 HA PRO A 76 -17.922 3.907 5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -19.104 6.396 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -18.287 6.005 6.531 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -17.262 7.568 4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -17.081 7.912 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -15.078 6.766 4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.305 6.402 6.131 1.00 0.00 H new ATOM 1250 N GLY A 77 -17.394 4.789 2.424 1.00 0.00 N ATOM 1251 CA GLY A 77 -17.852 4.627 1.057 1.00 0.00 C ATOM 1252 C GLY A 77 -17.889 3.175 0.625 1.00 0.00 C ATOM 1253 O GLY A 77 -18.520 2.833 -0.376 1.00 0.00 O ATOM 0 H GLY A 77 -16.412 5.049 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -18.848 5.058 0.958 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -17.196 5.185 0.389 1.00 0.00 H new ATOM 1257 N LEU A 78 -17.212 2.317 1.381 1.00 0.00 N ATOM 1258 CA LEU A 78 -17.169 0.893 1.070 1.00 0.00 C ATOM 1259 C LEU A 78 -17.094 0.059 2.346 1.00 0.00 C ATOM 1260 O LEU A 78 -16.050 -0.012 2.994 1.00 0.00 O ATOM 1261 CB LEU A 78 -15.968 0.582 0.174 1.00 0.00 C ATOM 1262 CG LEU A 78 -15.783 1.494 -1.039 1.00 0.00 C ATOM 1263 CD1 LEU A 78 -14.325 1.518 -1.471 1.00 0.00 C ATOM 1264 CD2 LEU A 78 -16.674 1.043 -2.187 1.00 0.00 C ATOM 0 H LEU A 78 -16.686 2.583 2.213 1.00 0.00 H new ATOM 0 HA LEU A 78 -18.086 0.634 0.541 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.064 0.631 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -16.060 -0.445 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.074 2.506 -0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -14.212 2.172 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.709 1.890 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.007 0.509 -1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -16.529 1.704 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.415 0.023 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -17.717 1.079 -1.874 1.00 0.00 H new ATOM 1276 N LYS A 79 -18.209 -0.571 2.700 1.00 0.00 N ATOM 1277 CA LYS A 79 -18.271 -1.403 3.896 1.00 0.00 C ATOM 1278 C LYS A 79 -18.320 -2.883 3.527 1.00 0.00 C ATOM 1279 O LYS A 79 -17.383 -3.631 3.802 1.00 0.00 O ATOM 1280 CB LYS A 79 -19.496 -1.035 4.735 1.00 0.00 C ATOM 1281 CG LYS A 79 -19.243 0.094 5.719 1.00 0.00 C ATOM 1282 CD LYS A 79 -20.543 0.673 6.251 1.00 0.00 C ATOM 1283 CE LYS A 79 -21.137 1.688 5.287 1.00 0.00 C ATOM 1284 NZ LYS A 79 -22.027 1.044 4.282 1.00 0.00 N ATOM 0 H LYS A 79 -19.082 -0.521 2.175 1.00 0.00 H new ATOM 0 HA LYS A 79 -17.370 -1.222 4.482 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -20.310 -0.749 4.069 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -19.828 -1.916 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -18.641 -0.274 6.550 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -18.666 0.880 5.232 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -21.259 -0.132 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -20.363 1.148 7.216 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -21.701 2.434 5.847 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -20.333 2.216 4.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -22.854 1.651 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -21.506 0.910 3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -22.343 0.120 4.640 1.00 0.00 H new ATOM 1298 N ASN A 80 -19.418 -3.296 2.903 1.00 0.00 N ATOM 1299 CA ASN A 80 -19.588 -4.686 2.496 1.00 0.00 C ATOM 1300 C ASN A 80 -18.400 -5.158 1.662 1.00 0.00 C ATOM 1301 O ASN A 80 -17.817 -6.209 1.933 1.00 0.00 O ATOM 1302 CB ASN A 80 -20.883 -4.851 1.698 1.00 0.00 C ATOM 1303 CG ASN A 80 -22.048 -4.112 2.328 1.00 0.00 C ATOM 1304 OD1 ASN A 80 -22.046 -3.834 3.527 1.00 0.00 O ATOM 1305 ND2 ASN A 80 -23.050 -3.789 1.518 1.00 0.00 N ATOM 0 H ASN A 80 -20.203 -2.688 2.668 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.643 -5.298 3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -20.730 -4.485 0.683 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -21.127 -5.911 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -23.861 -3.290 1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -23.009 -4.040 0.530 1.00 0.00 H new ATOM 1312 N CYS A 81 -18.048 -4.375 0.649 1.00 0.00 N ATOM 1313 CA CYS A 81 -16.930 -4.713 -0.225 1.00 0.00 C ATOM 1314 C CYS A 81 -15.670 -4.996 0.588 1.00 0.00 C ATOM 1315 O CYS A 81 -15.269 -6.148 0.748 1.00 0.00 O ATOM 1316 CB CYS A 81 -16.668 -3.576 -1.214 1.00 0.00 C ATOM 1317 SG CYS A 81 -15.224 -3.836 -2.271 1.00 0.00 S ATOM 0 H CYS A 81 -18.520 -3.502 0.412 1.00 0.00 H new ATOM 0 HA CYS A 81 -17.193 -5.614 -0.779 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -17.548 -3.447 -1.844 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.535 -2.648 -0.658 1.00 0.00 H new ATOM 0 HG CYS A 81 -15.182 -2.912 -3.184 1.00 0.00 H new ATOM 1323 N GLY A 82 -15.050 -3.936 1.098 1.00 0.00 N ATOM 1324 CA GLY A 82 -13.842 -4.092 1.886 1.00 0.00 C ATOM 1325 C GLY A 82 -14.004 -3.578 3.303 1.00 0.00 C ATOM 1326 O GLY A 82 -15.018 -2.966 3.636 1.00 0.00 O ATOM 0 H GLY A 82 -15.363 -2.972 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.564 -5.146 1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.024 -3.559 1.401 1.00 0.00 H new ATOM 1330 N ASP A 83 -13.002 -3.828 4.139 1.00 0.00 N ATOM 1331 CA ASP A 83 -13.038 -3.387 5.529 1.00 0.00 C ATOM 1332 C ASP A 83 -12.048 -2.250 5.763 1.00 0.00 C ATOM 1333 O ASP A 83 -11.058 -2.116 5.044 1.00 0.00 O ATOM 1334 CB ASP A 83 -12.723 -4.554 6.465 1.00 0.00 C ATOM 1335 CG ASP A 83 -13.557 -5.783 6.159 1.00 0.00 C ATOM 1336 OD1 ASP A 83 -13.275 -6.453 5.144 1.00 0.00 O ATOM 1337 OD2 ASP A 83 -14.492 -6.074 6.934 1.00 0.00 O ATOM 0 H ASP A 83 -12.155 -4.333 3.879 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.042 -3.021 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.666 -4.806 6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.899 -4.247 7.496 1.00 0.00 H new ATOM 1342 N VAL A 84 -12.324 -1.431 6.774 1.00 0.00 N ATOM 1343 CA VAL A 84 -11.459 -0.305 7.103 1.00 0.00 C ATOM 1344 C VAL A 84 -9.993 -0.648 6.860 1.00 0.00 C ATOM 1345 O VAL A 84 -9.286 0.071 6.156 1.00 0.00 O ATOM 1346 CB VAL A 84 -11.636 0.128 8.571 1.00 0.00 C ATOM 1347 CG1 VAL A 84 -10.534 1.095 8.979 1.00 0.00 C ATOM 1348 CG2 VAL A 84 -13.008 0.752 8.780 1.00 0.00 C ATOM 0 H VAL A 84 -13.140 -1.527 7.379 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.750 0.518 6.451 1.00 0.00 H new ATOM 0 HB VAL A 84 -11.564 -0.756 9.204 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.675 1.390 10.019 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.564 0.609 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.572 1.979 8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -13.116 1.052 9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.112 1.627 8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.780 0.025 8.530 1.00 0.00 H new ATOM 1358 N ASN A 85 -9.545 -1.753 7.447 1.00 0.00 N ATOM 1359 CA ASN A 85 -8.162 -2.192 7.293 1.00 0.00 C ATOM 1360 C ASN A 85 -7.804 -2.356 5.819 1.00 0.00 C ATOM 1361 O ASN A 85 -6.894 -1.697 5.315 1.00 0.00 O ATOM 1362 CB ASN A 85 -7.940 -3.513 8.033 1.00 0.00 C ATOM 1363 CG ASN A 85 -7.998 -3.348 9.540 1.00 0.00 C ATOM 1364 OD1 ASN A 85 -8.757 -2.529 10.057 1.00 0.00 O ATOM 1365 ND2 ASN A 85 -7.192 -4.128 10.251 1.00 0.00 N ATOM 0 H ASN A 85 -10.118 -2.360 8.033 1.00 0.00 H new ATOM 0 HA ASN A 85 -7.514 -1.428 7.723 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.696 -4.233 7.720 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.971 -3.925 7.752 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.186 -4.062 11.269 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -6.579 -4.793 9.779 1.00 0.00 H new ATOM 1372 N CYS A 86 -8.525 -3.237 5.135 1.00 0.00 N ATOM 1373 CA CYS A 86 -8.283 -3.488 3.719 1.00 0.00 C ATOM 1374 C CYS A 86 -8.234 -2.180 2.936 1.00 0.00 C ATOM 1375 O CYS A 86 -7.427 -2.023 2.020 1.00 0.00 O ATOM 1376 CB CYS A 86 -9.371 -4.398 3.148 1.00 0.00 C ATOM 1377 SG CYS A 86 -9.357 -6.077 3.819 1.00 0.00 S ATOM 0 H CYS A 86 -9.282 -3.789 5.538 1.00 0.00 H new ATOM 0 HA CYS A 86 -7.317 -3.984 3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -10.345 -3.949 3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.255 -4.450 2.065 1.00 0.00 H new ATOM 0 HG CYS A 86 -10.315 -6.769 3.277 1.00 0.00 H new ATOM 1383 N ILE A 87 -9.104 -1.245 3.302 1.00 0.00 N ATOM 1384 CA ILE A 87 -9.161 0.049 2.633 1.00 0.00 C ATOM 1385 C ILE A 87 -7.814 0.761 2.699 1.00 0.00 C ATOM 1386 O ILE A 87 -7.372 1.368 1.724 1.00 0.00 O ATOM 1387 CB ILE A 87 -10.239 0.957 3.253 1.00 0.00 C ATOM 1388 CG1 ILE A 87 -11.634 0.400 2.964 1.00 0.00 C ATOM 1389 CG2 ILE A 87 -10.108 2.376 2.719 1.00 0.00 C ATOM 1390 CD1 ILE A 87 -12.650 0.726 4.036 1.00 0.00 C ATOM 0 H ILE A 87 -9.779 -1.359 4.058 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.417 -0.145 1.591 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.095 0.982 4.333 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -11.984 0.796 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -11.568 -0.682 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.877 3.006 3.167 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.124 2.770 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -10.229 2.370 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.615 0.299 3.764 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -12.323 0.306 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -12.745 1.808 4.130 1.00 0.00 H new ATOM 1402 N GLY A 88 -7.164 0.681 3.856 1.00 0.00 N ATOM 1403 CA GLY A 88 -5.872 1.320 4.027 1.00 0.00 C ATOM 1404 C GLY A 88 -4.810 0.734 3.118 1.00 0.00 C ATOM 1405 O GLY A 88 -3.948 1.454 2.616 1.00 0.00 O ATOM 0 H GLY A 88 -7.509 0.185 4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.969 2.387 3.827 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.554 1.218 5.065 1.00 0.00 H new ATOM 1409 N ARG A 89 -4.871 -0.577 2.908 1.00 0.00 N ATOM 1410 CA ARG A 89 -3.904 -1.260 2.056 1.00 0.00 C ATOM 1411 C ARG A 89 -3.860 -0.626 0.669 1.00 0.00 C ATOM 1412 O ARG A 89 -2.791 -0.271 0.172 1.00 0.00 O ATOM 1413 CB ARG A 89 -4.255 -2.744 1.940 1.00 0.00 C ATOM 1414 CG ARG A 89 -3.743 -3.583 3.099 1.00 0.00 C ATOM 1415 CD ARG A 89 -2.253 -3.858 2.974 1.00 0.00 C ATOM 1416 NE ARG A 89 -1.972 -4.929 2.022 1.00 0.00 N ATOM 1417 CZ ARG A 89 -0.749 -5.241 1.606 1.00 0.00 C ATOM 1418 NH1 ARG A 89 0.300 -4.566 2.056 1.00 0.00 N ATOM 1419 NH2 ARG A 89 -0.574 -6.229 0.738 1.00 0.00 N ATOM 0 H ARG A 89 -5.579 -1.187 3.316 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.919 -1.161 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -5.338 -2.849 1.877 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.843 -3.135 1.010 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.941 -3.067 4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.286 -4.527 3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.742 -2.949 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.851 -4.127 3.951 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.757 -5.467 1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.169 -3.805 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.238 -4.807 1.735 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.379 -6.750 0.389 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.365 -6.468 0.419 1.00 0.00 H new ATOM 1433 N ILE A 90 -5.027 -0.489 0.049 1.00 0.00 N ATOM 1434 CA ILE A 90 -5.121 0.102 -1.280 1.00 0.00 C ATOM 1435 C ILE A 90 -4.856 1.603 -1.234 1.00 0.00 C ATOM 1436 O ILE A 90 -3.954 2.106 -1.906 1.00 0.00 O ATOM 1437 CB ILE A 90 -6.505 -0.144 -1.909 1.00 0.00 C ATOM 1438 CG1 ILE A 90 -6.836 -1.638 -1.896 1.00 0.00 C ATOM 1439 CG2 ILE A 90 -6.546 0.401 -3.329 1.00 0.00 C ATOM 1440 CD1 ILE A 90 -8.319 -1.927 -1.811 1.00 0.00 C ATOM 0 H ILE A 90 -5.921 -0.779 0.446 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.361 -0.380 -1.894 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.255 0.381 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.435 -2.099 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.334 -2.106 -1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.531 0.220 -3.760 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.349 1.473 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.788 -0.098 -3.932 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.480 -3.005 -1.806 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.722 -1.496 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.825 -1.489 -2.671 1.00 0.00 H new ATOM 1452 N HIS A 91 -5.645 2.314 -0.436 1.00 0.00 N ATOM 1453 CA HIS A 91 -5.494 3.759 -0.300 1.00 0.00 C ATOM 1454 C HIS A 91 -4.050 4.125 0.027 1.00 0.00 C ATOM 1455 O HIS A 91 -3.410 4.885 -0.701 1.00 0.00 O ATOM 1456 CB HIS A 91 -6.427 4.290 0.789 1.00 0.00 C ATOM 1457 CG HIS A 91 -6.691 5.761 0.686 1.00 0.00 C ATOM 1458 ND1 HIS A 91 -5.878 6.713 1.264 1.00 0.00 N ATOM 1459 CD2 HIS A 91 -7.683 6.441 0.066 1.00 0.00 C ATOM 1460 CE1 HIS A 91 -6.360 7.916 1.006 1.00 0.00 C ATOM 1461 NE2 HIS A 91 -7.455 7.778 0.279 1.00 0.00 N ATOM 0 H HIS A 91 -6.396 1.914 0.127 1.00 0.00 H new ATOM 0 HA HIS A 91 -5.760 4.219 -1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.375 3.754 0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -5.992 4.075 1.765 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -5.036 6.519 1.806 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.502 6.012 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.932 8.852 1.333 1.00 0.00 H new ATOM 1469 N THR A 92 -3.541 3.582 1.129 1.00 0.00 N ATOM 1470 CA THR A 92 -2.174 3.853 1.554 1.00 0.00 C ATOM 1471 C THR A 92 -1.185 3.590 0.425 1.00 0.00 C ATOM 1472 O THR A 92 -0.528 4.508 -0.066 1.00 0.00 O ATOM 1473 CB THR A 92 -1.784 2.996 2.773 1.00 0.00 C ATOM 1474 OG1 THR A 92 -2.720 3.204 3.837 1.00 0.00 O ATOM 1475 CG2 THR A 92 -0.382 3.341 3.250 1.00 0.00 C ATOM 0 H THR A 92 -4.056 2.951 1.743 1.00 0.00 H new ATOM 0 HA THR A 92 -2.133 4.906 1.832 1.00 0.00 H new ATOM 0 HB THR A 92 -1.801 1.948 2.474 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.560 2.745 3.628 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.129 2.723 4.112 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.332 3.155 2.447 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.343 4.393 3.534 1.00 0.00 H new ATOM 1483 N TYR A 93 -1.083 2.330 0.016 1.00 0.00 N ATOM 1484 CA TYR A 93 -0.172 1.945 -1.056 1.00 0.00 C ATOM 1485 C TYR A 93 -0.181 2.981 -2.176 1.00 0.00 C ATOM 1486 O TYR A 93 0.817 3.663 -2.415 1.00 0.00 O ATOM 1487 CB TYR A 93 -0.555 0.573 -1.611 1.00 0.00 C ATOM 1488 CG TYR A 93 0.099 0.251 -2.936 1.00 0.00 C ATOM 1489 CD1 TYR A 93 1.478 0.111 -3.035 1.00 0.00 C ATOM 1490 CD2 TYR A 93 -0.660 0.090 -4.088 1.00 0.00 C ATOM 1491 CE1 TYR A 93 2.081 -0.182 -4.244 1.00 0.00 C ATOM 1492 CE2 TYR A 93 -0.066 -0.205 -5.300 1.00 0.00 C ATOM 1493 CZ TYR A 93 1.304 -0.340 -5.373 1.00 0.00 C ATOM 1494 OH TYR A 93 1.900 -0.631 -6.578 1.00 0.00 O ATOM 0 H TYR A 93 -1.620 1.558 0.411 1.00 0.00 H new ATOM 0 HA TYR A 93 0.835 1.893 -0.642 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.281 -0.193 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.638 0.528 -1.729 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.089 0.233 -2.153 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.733 0.197 -4.035 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.154 -0.287 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.672 -0.329 -6.185 1.00 0.00 H new ATOM 0 HH TYR A 93 2.503 -1.396 -6.468 1.00 0.00 H new ATOM 1504 N LEU A 94 -1.314 3.092 -2.860 1.00 0.00 N ATOM 1505 CA LEU A 94 -1.455 4.045 -3.956 1.00 0.00 C ATOM 1506 C LEU A 94 -0.843 5.393 -3.589 1.00 0.00 C ATOM 1507 O LEU A 94 -0.313 6.098 -4.446 1.00 0.00 O ATOM 1508 CB LEU A 94 -2.931 4.223 -4.316 1.00 0.00 C ATOM 1509 CG LEU A 94 -3.661 2.969 -4.797 1.00 0.00 C ATOM 1510 CD1 LEU A 94 -5.153 3.081 -4.524 1.00 0.00 C ATOM 1511 CD2 LEU A 94 -3.405 2.737 -6.279 1.00 0.00 C ATOM 0 H LEU A 94 -2.148 2.535 -2.676 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.922 3.649 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.453 4.610 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.005 4.983 -5.094 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.274 2.113 -4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.656 2.179 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.319 3.197 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.555 3.947 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.933 1.840 -6.603 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.763 3.595 -6.849 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.336 2.610 -6.448 1.00 0.00 H new ATOM 1523 N GLU A 95 -0.920 5.742 -2.308 1.00 0.00 N ATOM 1524 CA GLU A 95 -0.372 7.005 -1.828 1.00 0.00 C ATOM 1525 C GLU A 95 1.149 6.934 -1.723 1.00 0.00 C ATOM 1526 O GLU A 95 1.848 7.911 -1.994 1.00 0.00 O ATOM 1527 CB GLU A 95 -0.972 7.362 -0.466 1.00 0.00 C ATOM 1528 CG GLU A 95 -0.761 8.814 -0.070 1.00 0.00 C ATOM 1529 CD GLU A 95 -1.500 9.184 1.202 1.00 0.00 C ATOM 1530 OE1 GLU A 95 -2.188 8.308 1.766 1.00 0.00 O ATOM 1531 OE2 GLU A 95 -1.389 10.351 1.633 1.00 0.00 O ATOM 0 H GLU A 95 -1.356 5.169 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 95 -0.633 7.781 -2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.041 7.150 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -0.531 6.719 0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.305 8.999 0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.095 9.461 -0.881 1.00 0.00 H new ATOM 1538 N LEU A 96 1.654 5.771 -1.328 1.00 0.00 N ATOM 1539 CA LEU A 96 3.092 5.570 -1.186 1.00 0.00 C ATOM 1540 C LEU A 96 3.783 5.599 -2.546 1.00 0.00 C ATOM 1541 O LEU A 96 4.873 6.153 -2.688 1.00 0.00 O ATOM 1542 CB LEU A 96 3.375 4.240 -0.486 1.00 0.00 C ATOM 1543 CG LEU A 96 2.670 4.023 0.853 1.00 0.00 C ATOM 1544 CD1 LEU A 96 2.992 2.645 1.409 1.00 0.00 C ATOM 1545 CD2 LEU A 96 3.065 5.106 1.846 1.00 0.00 C ATOM 0 H LEU A 96 1.089 4.953 -1.100 1.00 0.00 H new ATOM 0 HA LEU A 96 3.489 6.384 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.091 3.431 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.450 4.158 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 96 1.594 4.084 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.481 2.509 2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.658 1.882 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.068 2.555 1.558 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.553 4.935 2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.143 5.078 2.005 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.782 6.082 1.452 1.00 0.00 H new ATOM 1557 N ILE A 97 3.139 5.001 -3.543 1.00 0.00 N ATOM 1558 CA ILE A 97 3.690 4.962 -4.892 1.00 0.00 C ATOM 1559 C ILE A 97 3.549 6.313 -5.583 1.00 0.00 C ATOM 1560 O ILE A 97 4.246 6.601 -6.556 1.00 0.00 O ATOM 1561 CB ILE A 97 3.001 3.884 -5.750 1.00 0.00 C ATOM 1562 CG1 ILE A 97 1.484 3.942 -5.558 1.00 0.00 C ATOM 1563 CG2 ILE A 97 3.534 2.504 -5.396 1.00 0.00 C ATOM 1564 CD1 ILE A 97 0.714 3.141 -6.584 1.00 0.00 C ATOM 0 H ILE A 97 2.236 4.537 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 97 4.747 4.716 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 97 3.223 4.078 -6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.238 3.574 -4.562 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.160 4.982 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 97 3.037 1.753 -6.011 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.608 2.471 -5.580 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.339 2.298 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.354 3.228 -6.386 1.00 0.00 H new ATOM 0 HD12 ILE A 97 0.931 3.523 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.010 2.094 -6.525 1.00 0.00 H new ATOM 1576 N GLY A 98 2.643 7.141 -5.073 1.00 0.00 N ATOM 1577 CA GLY A 98 2.427 8.454 -5.652 1.00 0.00 C ATOM 1578 C GLY A 98 1.176 8.513 -6.506 1.00 0.00 C ATOM 1579 O GLY A 98 0.604 9.584 -6.708 1.00 0.00 O ATOM 0 H GLY A 98 2.054 6.926 -4.268 1.00 0.00 H new ATOM 0 HA2 GLY A 98 2.353 9.192 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.290 8.727 -6.259 1.00 0.00 H new ATOM 1583 N ALA A 99 0.750 7.360 -7.009 1.00 0.00 N ATOM 1584 CA ALA A 99 -0.442 7.285 -7.845 1.00 0.00 C ATOM 1585 C ALA A 99 -1.485 8.307 -7.407 1.00 0.00 C ATOM 1586 O ALA A 99 -2.175 8.899 -8.238 1.00 0.00 O ATOM 1587 CB ALA A 99 -1.026 5.880 -7.806 1.00 0.00 C ATOM 0 H ALA A 99 1.212 6.464 -6.852 1.00 0.00 H new ATOM 0 HA ALA A 99 -0.153 7.518 -8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.916 5.838 -8.434 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.287 5.169 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.294 5.626 -6.781 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.596 8.508 -6.098 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.555 9.459 -5.551 1.00 0.00 C ATOM 1595 C ILE A 100 -1.902 10.360 -4.509 1.00 0.00 C ATOM 1596 O ILE A 100 -0.882 10.007 -3.919 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.758 8.740 -4.910 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.279 7.732 -3.864 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.591 8.048 -5.979 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.334 7.377 -2.840 1.00 0.00 C ATOM 0 H ILE A 100 -1.034 8.025 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.907 10.067 -6.384 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.384 9.481 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.954 6.823 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.408 8.140 -3.350 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.437 7.544 -5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.957 8.788 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.976 7.315 -6.502 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.925 6.658 -2.130 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.642 8.277 -2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -5.197 6.940 -3.343 1.00 0.00 H new ATOM 1612 N ASN A 101 -2.500 11.526 -4.285 1.00 0.00 N ATOM 1613 CA ASN A 101 -1.977 12.479 -3.312 1.00 0.00 C ATOM 1614 C ASN A 101 -0.454 12.544 -3.378 1.00 0.00 C ATOM 1615 O ASN A 101 0.230 12.378 -2.368 1.00 0.00 O ATOM 1616 CB ASN A 101 -2.421 12.093 -1.900 1.00 0.00 C ATOM 1617 CG ASN A 101 -3.860 11.617 -1.857 1.00 0.00 C ATOM 1618 OD1 ASN A 101 -4.674 11.986 -2.704 1.00 0.00 O ATOM 1619 ND2 ASN A 101 -4.181 10.792 -0.866 1.00 0.00 N ATOM 0 H ASN A 101 -3.347 11.834 -4.764 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.376 13.464 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.769 11.306 -1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.305 12.951 -1.238 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.134 10.438 -0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.474 10.512 -0.186 1.00 0.00 H new ATOM 1626 N PHE A 102 0.071 12.786 -4.575 1.00 0.00 N ATOM 1627 CA PHE A 102 1.513 12.873 -4.774 1.00 0.00 C ATOM 1628 C PHE A 102 2.036 14.248 -4.371 1.00 0.00 C ATOM 1629 O PHE A 102 1.416 15.270 -4.661 1.00 0.00 O ATOM 1630 CB PHE A 102 1.866 12.589 -6.235 1.00 0.00 C ATOM 1631 CG PHE A 102 3.327 12.752 -6.542 1.00 0.00 C ATOM 1632 CD1 PHE A 102 3.880 14.013 -6.696 1.00 0.00 C ATOM 1633 CD2 PHE A 102 4.148 11.644 -6.676 1.00 0.00 C ATOM 1634 CE1 PHE A 102 5.224 14.165 -6.979 1.00 0.00 C ATOM 1635 CE2 PHE A 102 5.493 11.790 -6.959 1.00 0.00 C ATOM 1636 CZ PHE A 102 6.032 13.053 -7.109 1.00 0.00 C ATOM 0 H PHE A 102 -0.481 12.925 -5.422 1.00 0.00 H new ATOM 0 HA PHE A 102 1.987 12.123 -4.141 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.562 11.572 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.292 13.258 -6.876 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.254 14.887 -6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.732 10.654 -6.558 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.642 15.153 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 102 6.122 10.918 -7.063 1.00 0.00 H new ATOM 0 HZ PHE A 102 7.083 13.170 -7.327 1.00 0.00 H new ATOM 1646 N GLY A 103 3.183 14.265 -3.699 1.00 0.00 N ATOM 1647 CA GLY A 103 3.771 15.520 -3.266 1.00 0.00 C ATOM 1648 C GLY A 103 2.775 16.409 -2.548 1.00 0.00 C ATOM 1649 O GLY A 103 2.435 17.489 -3.034 1.00 0.00 O ATOM 0 H GLY A 103 3.716 13.433 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.613 15.314 -2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 103 4.168 16.050 -4.132 1.00 0.00 H new ATOM 1653 N CYS A 104 2.306 15.956 -1.391 1.00 0.00 N ATOM 1654 CA CYS A 104 1.340 16.718 -0.607 1.00 0.00 C ATOM 1655 C CYS A 104 1.853 16.948 0.811 1.00 0.00 C ATOM 1656 O CYS A 104 2.709 16.211 1.299 1.00 0.00 O ATOM 1657 CB CYS A 104 -0.003 15.988 -0.565 1.00 0.00 C ATOM 1658 SG CYS A 104 0.041 14.410 0.316 1.00 0.00 S ATOM 0 H CYS A 104 2.579 15.066 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 104 1.203 17.687 -1.086 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -0.741 16.635 -0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.341 15.812 -1.586 1.00 0.00 H new ATOM 0 HG CYS A 104 -1.158 14.101 0.714 1.00 0.00 H new ATOM 1664 N GLU A 105 1.324 17.977 1.466 1.00 0.00 N ATOM 1665 CA GLU A 105 1.730 18.305 2.828 1.00 0.00 C ATOM 1666 C GLU A 105 0.942 17.483 3.844 1.00 0.00 C ATOM 1667 O GLU A 105 1.183 17.570 5.048 1.00 0.00 O ATOM 1668 CB GLU A 105 1.531 19.798 3.098 1.00 0.00 C ATOM 1669 CG GLU A 105 0.071 20.220 3.135 1.00 0.00 C ATOM 1670 CD GLU A 105 -0.109 21.714 2.952 1.00 0.00 C ATOM 1671 OE1 GLU A 105 -0.108 22.441 3.967 1.00 0.00 O ATOM 1672 OE2 GLU A 105 -0.250 22.156 1.792 1.00 0.00 O ATOM 0 H GLU A 105 0.614 18.597 1.076 1.00 0.00 H new ATOM 0 HA GLU A 105 2.787 18.062 2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.998 20.052 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.047 20.370 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.475 19.693 2.353 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -0.366 19.919 4.087 1.00 0.00 H new ATOM 1679 N GLN A 106 0.000 16.687 3.349 1.00 0.00 N ATOM 1680 CA GLN A 106 -0.825 15.852 4.214 1.00 0.00 C ATOM 1681 C GLN A 106 -0.582 14.372 3.934 1.00 0.00 C ATOM 1682 O GLN A 106 -1.306 13.510 4.429 1.00 0.00 O ATOM 1683 CB GLN A 106 -2.305 16.183 4.018 1.00 0.00 C ATOM 1684 CG GLN A 106 -2.741 17.460 4.718 1.00 0.00 C ATOM 1685 CD GLN A 106 -3.961 18.091 4.076 1.00 0.00 C ATOM 1686 OE1 GLN A 106 -5.097 17.762 4.419 1.00 0.00 O ATOM 1687 NE2 GLN A 106 -3.732 19.002 3.138 1.00 0.00 N ATOM 0 H GLN A 106 -0.211 16.603 2.355 1.00 0.00 H new ATOM 0 HA GLN A 106 -0.548 16.059 5.248 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.510 16.275 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.906 15.352 4.388 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -2.958 17.241 5.763 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.918 18.175 4.706 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -2.774 19.244 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -4.514 19.460 2.670 1.00 0.00 H new ATOM 1696 N ALA A 107 0.443 14.087 3.137 1.00 0.00 N ATOM 1697 CA ALA A 107 0.783 12.712 2.792 1.00 0.00 C ATOM 1698 C ALA A 107 1.080 11.890 4.042 1.00 0.00 C ATOM 1699 O ALA A 107 1.238 12.437 5.134 1.00 0.00 O ATOM 1700 CB ALA A 107 1.973 12.684 1.845 1.00 0.00 C ATOM 0 H ALA A 107 1.052 14.790 2.718 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.076 12.266 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.216 11.651 1.596 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.726 13.228 0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.832 13.153 2.326 1.00 0.00 H new ATOM 1706 N VAL A 108 1.154 10.574 3.876 1.00 0.00 N ATOM 1707 CA VAL A 108 1.432 9.676 4.991 1.00 0.00 C ATOM 1708 C VAL A 108 2.927 9.401 5.114 1.00 0.00 C ATOM 1709 O VAL A 108 3.377 8.782 6.079 1.00 0.00 O ATOM 1710 CB VAL A 108 0.686 8.338 4.834 1.00 0.00 C ATOM 1711 CG1 VAL A 108 0.971 7.723 3.472 1.00 0.00 C ATOM 1712 CG2 VAL A 108 1.070 7.380 5.952 1.00 0.00 C ATOM 0 H VAL A 108 1.025 10.105 2.979 1.00 0.00 H new ATOM 0 HA VAL A 108 1.081 10.174 5.895 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.385 8.529 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.435 6.778 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.641 8.405 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.041 7.544 3.370 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.534 6.440 5.826 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.143 7.193 5.918 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.809 7.820 6.914 1.00 0.00 H new ATOM 1722 N TYR A 109 3.691 9.864 4.132 1.00 0.00 N ATOM 1723 CA TYR A 109 5.136 9.666 4.129 1.00 0.00 C ATOM 1724 C TYR A 109 5.864 10.963 4.468 1.00 0.00 C ATOM 1725 O TYR A 109 6.925 10.948 5.091 1.00 0.00 O ATOM 1726 CB TYR A 109 5.598 9.150 2.766 1.00 0.00 C ATOM 1727 CG TYR A 109 4.916 9.828 1.599 1.00 0.00 C ATOM 1728 CD1 TYR A 109 5.444 10.983 1.035 1.00 0.00 C ATOM 1729 CD2 TYR A 109 3.743 9.313 1.060 1.00 0.00 C ATOM 1730 CE1 TYR A 109 4.824 11.606 -0.031 1.00 0.00 C ATOM 1731 CE2 TYR A 109 3.117 9.929 -0.007 1.00 0.00 C ATOM 1732 CZ TYR A 109 3.661 11.075 -0.548 1.00 0.00 C ATOM 1733 OH TYR A 109 3.040 11.691 -1.610 1.00 0.00 O ATOM 0 H TYR A 109 3.334 10.379 3.327 1.00 0.00 H new ATOM 0 HA TYR A 109 5.377 8.925 4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 109 6.675 9.292 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 109 5.413 8.077 2.711 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.355 11.401 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 109 3.314 8.416 1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 109 5.248 12.504 -0.457 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.207 9.515 -0.415 1.00 0.00 H new ATOM 0 HH TYR A 109 2.070 11.683 -1.471 1.00 0.00 H new ATOM 1743 N ASN A 110 5.285 12.085 4.054 1.00 0.00 N ATOM 1744 CA ASN A 110 5.878 13.393 4.313 1.00 0.00 C ATOM 1745 C ASN A 110 6.097 13.603 5.808 1.00 0.00 C ATOM 1746 O ASN A 110 7.046 14.271 6.218 1.00 0.00 O ATOM 1747 CB ASN A 110 4.982 14.501 3.756 1.00 0.00 C ATOM 1748 CG ASN A 110 5.176 14.707 2.266 1.00 0.00 C ATOM 1749 OD1 ASN A 110 5.321 13.747 1.509 1.00 0.00 O ATOM 1750 ND2 ASN A 110 5.179 15.965 1.839 1.00 0.00 N ATOM 0 H ASN A 110 4.406 12.115 3.538 1.00 0.00 H new ATOM 0 HA ASN A 110 6.846 13.432 3.813 1.00 0.00 H new ATOM 0 HB2 ASN A 110 3.939 14.254 3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 110 5.194 15.433 4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 110 5.305 16.167 0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 110 5.055 16.729 2.503 1.00 0.00 H new ATOM 1757 N ARG A 111 5.213 13.029 6.617 1.00 0.00 N ATOM 1758 CA ARG A 111 5.309 13.154 8.066 1.00 0.00 C ATOM 1759 C ARG A 111 6.745 12.937 8.537 1.00 0.00 C ATOM 1760 O ARG A 111 7.372 11.931 8.203 1.00 0.00 O ATOM 1761 CB ARG A 111 4.380 12.149 8.750 1.00 0.00 C ATOM 1762 CG ARG A 111 2.915 12.331 8.387 1.00 0.00 C ATOM 1763 CD ARG A 111 2.343 13.599 9.000 1.00 0.00 C ATOM 1764 NE ARG A 111 2.106 13.455 10.434 1.00 0.00 N ATOM 1765 CZ ARG A 111 1.079 12.787 10.946 1.00 0.00 C ATOM 1766 NH1 ARG A 111 0.198 12.203 10.145 1.00 0.00 N ATOM 1767 NH2 ARG A 111 0.931 12.700 12.262 1.00 0.00 N ATOM 0 H ARG A 111 4.422 12.473 6.293 1.00 0.00 H new ATOM 0 HA ARG A 111 5.004 14.164 8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 111 4.690 11.139 8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.492 12.240 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 111 2.810 12.370 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.344 11.469 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.031 14.427 8.828 1.00 0.00 H new ATOM 0 HD3 ARG A 111 1.407 13.852 8.502 1.00 0.00 H new ATOM 0 HE ARG A 111 2.766 13.892 11.078 1.00 0.00 H new ATOM 0 HH11 ARG A 111 0.308 12.266 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -0.590 11.690 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 111 1.607 13.147 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 111 0.141 12.186 12.654 1.00 0.00 H new