USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -1.75! C(o=-11!,f=-5.6!) USER MOD Set 1.2: A 85 ASN : amide:sc= -9.63! C(o=-11!,f=-3.9!) USER MOD Set 2.1: A 56 MET CE :methyl -166:sc= -3.14 (180deg=-4.25!) USER MOD Set 2.2: A 69 TYR OH : rot 0:sc= -0.159 USER MOD Set 3.1: A 44 SER OG : rot 180:sc= -0.204 USER MOD Set 3.2: A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -3.07! C(o=-3.1!,f=-4.5!) USER MOD Single : A 20 HIS : no HD1:sc= -1.18! C(o=-1.2!,f=-3.1!) USER MOD Single : A 21 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.47) USER MOD Single : A 25 GLN : amide:sc= -0.758 K(o=-0.76,f=-3.6!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.0931 (180deg=-0.628) USER MOD Single : A 38 SER OG : rot 180:sc= 0.00256 USER MOD Single : A 40 HIS : no HE2:sc= -5.54! C(o=-5.5!,f=-6.3!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 47 HIS : no HD1:sc= -0.105 K(o=-0.1,f=-0.67) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -62:sc= 0.369 USER MOD Single : A 57 ASN : amide:sc= -10.2! C(o=-10!,f=-5.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -5.11! C(o=-5.1!,f=-3.8!) USER MOD Single : A 61 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.2!) USER MOD Single : A 62 CYS SG : rot -24:sc= -6.55! USER MOD Single : A 64 THR OG1 : rot -0:sc= 0.713! USER MOD Single : A 65 ASN : amide:sc= -0.693 X(o=-0.69,f=-0.72) USER MOD Single : A 70 LYS NZ :NH3+ 162:sc= -1.27 (180deg=-1.93) USER MOD Single : A 73 TYR OH : rot -110:sc= -2.35 USER MOD Single : A 77 TYR OH : rot 119:sc= -4.68! USER MOD Single : A 78 SER OG : rot 180:sc= 0.154 USER MOD Single : A 79 ASN : amide:sc= -1.51 K(o=-1.5,f=-7.9!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 57:sc= 0.598 USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 13 0.384 0.682 -4.051 1.00 0.00 N ATOM 174 CA VAL A 13 0.824 -0.695 -4.345 1.00 0.00 C ATOM 175 C VAL A 13 1.423 -0.793 -5.731 1.00 0.00 C ATOM 176 O VAL A 13 0.842 -0.342 -6.697 1.00 0.00 O ATOM 177 CB VAL A 13 -0.402 -1.609 -4.276 1.00 0.00 C ATOM 178 CG1 VAL A 13 -1.395 -1.193 -5.363 1.00 0.00 C ATOM 179 CG2 VAL A 13 0.042 -3.055 -4.514 1.00 0.00 C ATOM 0 HA VAL A 13 1.583 -0.988 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.876 -1.528 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.272 -1.839 -5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.698 -0.159 -5.202 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.923 -1.285 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.825 -3.714 -4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.506 -3.136 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.761 -3.346 -3.748 1.00 0.00 H new ATOM 189 N ASP A 14 2.580 -1.387 -5.805 1.00 0.00 N ATOM 190 CA ASP A 14 3.234 -1.528 -7.116 1.00 0.00 C ATOM 191 C ASP A 14 2.766 -2.811 -7.765 1.00 0.00 C ATOM 192 O ASP A 14 2.927 -3.882 -7.212 1.00 0.00 O ATOM 193 CB ASP A 14 4.755 -1.595 -6.903 1.00 0.00 C ATOM 194 CG ASP A 14 5.276 -0.205 -6.533 1.00 0.00 C ATOM 195 OD1 ASP A 14 4.593 0.438 -5.752 1.00 0.00 O ATOM 196 OD2 ASP A 14 6.326 0.136 -7.052 1.00 0.00 O ATOM 0 H ASP A 14 3.092 -1.776 -5.014 1.00 0.00 H new ATOM 0 HA ASP A 14 2.983 -0.681 -7.754 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.992 -2.307 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.245 -1.950 -7.809 1.00 0.00 H new ATOM 201 N THR A 15 2.185 -2.685 -8.923 1.00 0.00 N ATOM 202 CA THR A 15 1.697 -3.888 -9.619 1.00 0.00 C ATOM 203 C THR A 15 1.854 -3.752 -11.124 1.00 0.00 C ATOM 204 O THR A 15 0.975 -3.267 -11.809 1.00 0.00 O ATOM 205 CB THR A 15 0.213 -4.054 -9.272 1.00 0.00 C ATOM 206 OG1 THR A 15 -0.451 -2.982 -9.913 1.00 0.00 O ATOM 207 CG2 THR A 15 -0.018 -3.801 -7.773 1.00 0.00 C ATOM 0 H THR A 15 2.031 -1.802 -9.410 1.00 0.00 H new ATOM 0 HA THR A 15 2.277 -4.755 -9.302 1.00 0.00 H new ATOM 0 HB THR A 15 -0.124 -5.051 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.419 -3.111 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.076 -3.923 -7.542 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.565 -4.514 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 15 0.294 -2.787 -7.523 1.00 0.00 H new ATOM 215 N ALA A 16 2.980 -4.185 -11.610 1.00 0.00 N ATOM 216 CA ALA A 16 3.233 -4.098 -13.061 1.00 0.00 C ATOM 217 C ALA A 16 3.925 -5.356 -13.536 1.00 0.00 C ATOM 218 O ALA A 16 5.138 -5.431 -13.552 1.00 0.00 O ATOM 219 CB ALA A 16 4.149 -2.892 -13.328 1.00 0.00 C ATOM 0 H ALA A 16 3.734 -4.595 -11.060 1.00 0.00 H new ATOM 0 HA ALA A 16 2.288 -3.984 -13.592 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.346 -2.814 -14.397 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.661 -1.981 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.090 -3.025 -12.795 1.00 0.00 H new ATOM 225 N ILE A 17 3.132 -6.329 -13.907 1.00 0.00 N ATOM 226 CA ILE A 17 3.704 -7.601 -14.388 1.00 0.00 C ATOM 227 C ILE A 17 2.988 -8.047 -15.667 1.00 0.00 C ATOM 228 O ILE A 17 3.510 -7.895 -16.754 1.00 0.00 O ATOM 229 CB ILE A 17 3.527 -8.655 -13.284 1.00 0.00 C ATOM 230 CG1 ILE A 17 3.942 -10.004 -13.818 1.00 0.00 C ATOM 231 CG2 ILE A 17 2.043 -8.714 -12.852 1.00 0.00 C ATOM 232 CD1 ILE A 17 5.298 -9.850 -14.499 1.00 0.00 C ATOM 0 H ILE A 17 2.113 -6.288 -13.894 1.00 0.00 H new ATOM 0 HA ILE A 17 4.762 -7.476 -14.617 1.00 0.00 H new ATOM 0 HB ILE A 17 4.143 -8.388 -12.425 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.004 -10.731 -13.008 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.201 -10.377 -14.525 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.921 -9.463 -12.069 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.735 -7.739 -12.473 1.00 0.00 H new ATOM 0 HG23 ILE A 17 1.425 -8.982 -13.709 1.00 0.00 H new ATOM 0 HD11 ILE A 17 5.619 -10.814 -14.893 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.216 -9.133 -15.316 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.030 -9.492 -13.775 1.00 0.00 H new ATOM 244 N TYR A 18 1.813 -8.588 -15.517 1.00 0.00 N ATOM 245 CA TYR A 18 1.057 -9.041 -16.707 1.00 0.00 C ATOM 246 C TYR A 18 0.774 -7.849 -17.618 1.00 0.00 C ATOM 247 O TYR A 18 0.223 -7.996 -18.690 1.00 0.00 O ATOM 248 CB TYR A 18 -0.273 -9.639 -16.234 1.00 0.00 C ATOM 249 CG TYR A 18 -0.014 -10.615 -15.085 1.00 0.00 C ATOM 250 CD1 TYR A 18 0.927 -11.618 -15.208 1.00 0.00 C ATOM 251 CD2 TYR A 18 -0.711 -10.496 -13.901 1.00 0.00 C ATOM 252 CE1 TYR A 18 1.168 -12.484 -14.160 1.00 0.00 C ATOM 253 CE2 TYR A 18 -0.470 -11.360 -12.855 1.00 0.00 C ATOM 254 CZ TYR A 18 0.471 -12.361 -12.976 1.00 0.00 C ATOM 255 OH TYR A 18 0.716 -13.222 -11.924 1.00 0.00 O ATOM 0 H TYR A 18 1.347 -8.734 -14.622 1.00 0.00 H new ATOM 0 HA TYR A 18 1.635 -9.784 -17.257 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.945 -8.845 -15.907 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.766 -10.154 -17.059 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.478 -11.726 -16.130 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.453 -9.718 -13.793 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.908 -13.263 -14.268 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.022 -11.252 -11.933 1.00 0.00 H new ATOM 0 HH TYR A 18 0.136 -12.989 -11.169 1.00 0.00 H new ATOM 265 N HIS A 19 1.121 -6.683 -17.121 1.00 0.00 N ATOM 266 CA HIS A 19 0.912 -5.414 -17.886 1.00 0.00 C ATOM 267 C HIS A 19 1.269 -5.540 -19.359 1.00 0.00 C ATOM 268 O HIS A 19 1.060 -4.607 -20.108 1.00 0.00 O ATOM 269 CB HIS A 19 1.798 -4.327 -17.261 1.00 0.00 C ATOM 270 CG HIS A 19 3.266 -4.662 -17.535 1.00 0.00 C ATOM 271 ND1 HIS A 19 4.115 -4.921 -16.657 1.00 0.00 N ATOM 272 CD2 HIS A 19 3.938 -4.760 -18.738 1.00 0.00 C ATOM 273 CE1 HIS A 19 5.248 -5.173 -17.168 1.00 0.00 C ATOM 274 NE2 HIS A 19 5.235 -5.095 -18.498 1.00 0.00 N ATOM 0 H HIS A 19 1.547 -6.558 -16.203 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.148 -5.166 -17.830 1.00 0.00 H new ATOM 0 HB2 HIS A 19 1.550 -3.352 -17.680 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.620 -4.267 -16.187 1.00 0.00 H new ATOM 0 HD2 HIS A 19 3.503 -4.597 -19.713 1.00 0.00 H new ATOM 0 HE1 HIS A 19 6.125 -5.423 -16.590 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.996 -5.246 -19.161 1.00 0.00 H new ATOM 282 N HIS A 20 1.826 -6.665 -19.745 1.00 0.00 N ATOM 283 CA HIS A 20 2.199 -6.851 -21.175 1.00 0.00 C ATOM 284 C HIS A 20 1.220 -6.112 -22.084 1.00 0.00 C ATOM 285 O HIS A 20 1.570 -5.114 -22.684 1.00 0.00 O ATOM 286 CB HIS A 20 2.123 -8.355 -21.487 1.00 0.00 C ATOM 287 CG HIS A 20 2.645 -8.618 -22.899 1.00 0.00 C ATOM 288 ND1 HIS A 20 2.781 -7.750 -23.784 1.00 0.00 N ATOM 289 CD2 HIS A 20 3.054 -9.804 -23.481 1.00 0.00 C ATOM 290 CE1 HIS A 20 3.229 -8.249 -24.861 1.00 0.00 C ATOM 291 NE2 HIS A 20 3.435 -9.563 -24.764 1.00 0.00 N ATOM 0 H HIS A 20 2.035 -7.454 -19.133 1.00 0.00 H new ATOM 0 HA HIS A 20 3.201 -6.458 -21.347 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.712 -8.916 -20.761 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.094 -8.702 -21.399 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.069 -10.768 -22.994 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.422 -7.675 -25.755 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.785 -10.215 -25.466 1.00 0.00 H new ATOM 299 N LYS A 21 0.008 -6.606 -22.167 1.00 0.00 N ATOM 300 CA LYS A 21 -0.990 -5.927 -23.034 1.00 0.00 C ATOM 301 C LYS A 21 -1.890 -4.986 -22.211 1.00 0.00 C ATOM 302 O LYS A 21 -1.758 -3.780 -22.283 1.00 0.00 O ATOM 303 CB LYS A 21 -1.856 -7.009 -23.696 1.00 0.00 C ATOM 304 CG LYS A 21 -0.958 -7.880 -24.586 1.00 0.00 C ATOM 305 CD LYS A 21 -1.688 -9.178 -24.931 1.00 0.00 C ATOM 306 CE LYS A 21 -1.745 -10.071 -23.690 1.00 0.00 C ATOM 307 NZ LYS A 21 -1.744 -11.508 -24.083 1.00 0.00 N ATOM 0 H LYS A 21 -0.324 -7.437 -21.678 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.471 -5.327 -23.782 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.343 -7.621 -22.936 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.646 -6.550 -24.290 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.700 -7.342 -25.498 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.023 -8.102 -24.071 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.696 -8.959 -25.282 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.173 -9.694 -25.741 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.891 -9.863 -23.045 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.642 -9.846 -23.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.416 -12.032 -23.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.025 -11.595 -25.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.790 -11.902 -23.957 1.00 0.00 H new ATOM 321 N LEU A 22 -2.785 -5.563 -21.441 1.00 0.00 N ATOM 322 CA LEU A 22 -3.704 -4.724 -20.605 1.00 0.00 C ATOM 323 C LEU A 22 -4.178 -5.499 -19.375 1.00 0.00 C ATOM 324 O LEU A 22 -5.060 -5.059 -18.650 1.00 0.00 O ATOM 325 CB LEU A 22 -4.929 -4.370 -21.460 1.00 0.00 C ATOM 326 CG LEU A 22 -5.824 -5.605 -21.598 1.00 0.00 C ATOM 327 CD1 LEU A 22 -6.960 -5.296 -22.578 1.00 0.00 C ATOM 328 CD2 LEU A 22 -4.998 -6.771 -22.140 1.00 0.00 C ATOM 0 H LEU A 22 -2.918 -6.571 -21.356 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.175 -3.830 -20.273 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.485 -3.554 -20.999 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.612 -4.024 -22.444 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.237 -5.869 -20.624 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.601 -6.172 -22.680 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.548 -4.459 -22.202 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.541 -5.037 -23.551 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.633 -7.651 -22.239 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.590 -6.506 -23.116 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.181 -6.989 -21.452 1.00 0.00 H new ATOM 340 N ARG A 23 -3.575 -6.623 -19.149 1.00 0.00 N ATOM 341 CA ARG A 23 -3.970 -7.440 -17.991 1.00 0.00 C ATOM 342 C ARG A 23 -3.603 -6.783 -16.663 1.00 0.00 C ATOM 343 O ARG A 23 -4.122 -7.162 -15.631 1.00 0.00 O ATOM 344 CB ARG A 23 -3.255 -8.790 -18.102 1.00 0.00 C ATOM 345 CG ARG A 23 -4.229 -9.909 -17.729 1.00 0.00 C ATOM 346 CD ARG A 23 -3.584 -11.260 -18.045 1.00 0.00 C ATOM 347 NE ARG A 23 -3.905 -11.634 -19.450 1.00 0.00 N ATOM 348 CZ ARG A 23 -3.127 -12.467 -20.085 1.00 0.00 C ATOM 349 NH1 ARG A 23 -3.234 -13.743 -19.838 1.00 0.00 N ATOM 350 NH2 ARG A 23 -2.263 -11.995 -20.942 1.00 0.00 N ATOM 0 H ARG A 23 -2.824 -7.009 -19.721 1.00 0.00 H new ATOM 0 HA ARG A 23 -5.054 -7.556 -18.003 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.886 -8.937 -19.117 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.388 -8.811 -17.441 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.481 -9.851 -16.670 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.160 -9.798 -18.285 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.504 -11.203 -17.908 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.952 -12.023 -17.359 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.726 -11.242 -19.912 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.918 -14.075 -19.158 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.634 -14.409 -20.325 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.204 -10.990 -21.106 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.647 -12.631 -21.448 1.00 0.00 H new ATOM 364 N ASP A 24 -2.722 -5.813 -16.696 1.00 0.00 N ATOM 365 CA ASP A 24 -2.350 -5.160 -15.413 1.00 0.00 C ATOM 366 C ASP A 24 -3.298 -4.024 -15.088 1.00 0.00 C ATOM 367 O ASP A 24 -3.696 -3.855 -13.953 1.00 0.00 O ATOM 368 CB ASP A 24 -0.932 -4.591 -15.503 1.00 0.00 C ATOM 369 CG ASP A 24 -0.570 -3.954 -14.160 1.00 0.00 C ATOM 370 OD1 ASP A 24 -0.897 -4.574 -13.161 1.00 0.00 O ATOM 371 OD2 ASP A 24 0.012 -2.883 -14.208 1.00 0.00 O ATOM 0 H ASP A 24 -2.259 -5.456 -17.532 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.406 -5.916 -14.630 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.223 -5.382 -15.749 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.873 -3.850 -16.300 1.00 0.00 H new ATOM 376 N GLN A 25 -3.649 -3.256 -16.083 1.00 0.00 N ATOM 377 CA GLN A 25 -4.566 -2.142 -15.817 1.00 0.00 C ATOM 378 C GLN A 25 -5.847 -2.705 -15.294 1.00 0.00 C ATOM 379 O GLN A 25 -6.551 -2.065 -14.540 1.00 0.00 O ATOM 380 CB GLN A 25 -4.804 -1.352 -17.131 1.00 0.00 C ATOM 381 CG GLN A 25 -6.038 -1.890 -17.866 1.00 0.00 C ATOM 382 CD GLN A 25 -6.272 -1.062 -19.134 1.00 0.00 C ATOM 383 OE1 GLN A 25 -6.403 -1.588 -20.216 1.00 0.00 O ATOM 384 NE2 GLN A 25 -6.335 0.236 -19.041 1.00 0.00 N ATOM 0 H GLN A 25 -3.340 -3.358 -17.050 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.146 -1.459 -15.079 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.940 -0.294 -16.907 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.927 -1.431 -17.774 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.893 -2.939 -18.124 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.913 -1.839 -17.218 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.226 0.688 -18.133 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.494 0.800 -19.876 1.00 0.00 H new ATOM 393 N VAL A 26 -6.141 -3.903 -15.704 1.00 0.00 N ATOM 394 CA VAL A 26 -7.373 -4.519 -15.228 1.00 0.00 C ATOM 395 C VAL A 26 -7.179 -4.934 -13.785 1.00 0.00 C ATOM 396 O VAL A 26 -7.802 -4.404 -12.893 1.00 0.00 O ATOM 397 CB VAL A 26 -7.678 -5.765 -16.085 1.00 0.00 C ATOM 398 CG1 VAL A 26 -8.810 -6.565 -15.438 1.00 0.00 C ATOM 399 CG2 VAL A 26 -8.112 -5.322 -17.485 1.00 0.00 C ATOM 0 H VAL A 26 -5.579 -4.466 -16.342 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.202 -3.815 -15.304 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.785 -6.386 -16.154 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.026 -7.445 -16.043 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.509 -6.877 -14.438 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.703 -5.943 -15.371 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.328 -6.200 -18.094 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.006 -4.703 -17.410 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.311 -4.747 -17.949 1.00 0.00 H new ATOM 409 N LEU A 27 -6.295 -5.858 -13.582 1.00 0.00 N ATOM 410 CA LEU A 27 -6.034 -6.325 -12.212 1.00 0.00 C ATOM 411 C LEU A 27 -5.808 -5.141 -11.285 1.00 0.00 C ATOM 412 O LEU A 27 -6.003 -5.237 -10.084 1.00 0.00 O ATOM 413 CB LEU A 27 -4.740 -7.185 -12.250 1.00 0.00 C ATOM 414 CG LEU A 27 -5.032 -8.634 -11.818 1.00 0.00 C ATOM 415 CD1 LEU A 27 -4.456 -9.601 -12.856 1.00 0.00 C ATOM 416 CD2 LEU A 27 -4.353 -8.896 -10.469 1.00 0.00 C ATOM 0 H LEU A 27 -5.742 -6.309 -14.311 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.885 -6.900 -11.845 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.323 -7.178 -13.257 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.989 -6.749 -11.591 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.109 -8.782 -11.734 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.662 -10.627 -12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.917 -9.411 -13.825 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.379 -9.454 -12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.553 -9.920 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.277 -8.751 -10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.745 -8.204 -9.724 1.00 0.00 H new ATOM 428 N LYS A 28 -5.425 -4.033 -11.856 1.00 0.00 N ATOM 429 CA LYS A 28 -5.184 -2.842 -11.013 1.00 0.00 C ATOM 430 C LYS A 28 -6.468 -2.082 -10.812 1.00 0.00 C ATOM 431 O LYS A 28 -6.776 -1.651 -9.719 1.00 0.00 O ATOM 432 CB LYS A 28 -4.169 -1.932 -11.720 1.00 0.00 C ATOM 433 CG LYS A 28 -4.099 -0.588 -10.980 1.00 0.00 C ATOM 434 CD LYS A 28 -2.635 -0.229 -10.712 1.00 0.00 C ATOM 435 CE LYS A 28 -1.993 0.266 -12.009 1.00 0.00 C ATOM 436 NZ LYS A 28 -0.523 0.425 -11.831 1.00 0.00 N ATOM 0 H LYS A 28 -5.272 -3.906 -12.856 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.800 -3.158 -10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.187 -2.405 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.463 -1.775 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.573 0.192 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.648 -0.649 -10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.572 0.542 -9.944 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.098 -1.099 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.194 -0.440 -12.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.436 1.218 -12.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.100 0.762 -12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.337 1.116 -11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.103 -0.491 -11.573 1.00 0.00 H new ATOM 450 N ALA A 29 -7.197 -1.926 -11.867 1.00 0.00 N ATOM 451 CA ALA A 29 -8.468 -1.196 -11.754 1.00 0.00 C ATOM 452 C ALA A 29 -9.455 -1.978 -10.901 1.00 0.00 C ATOM 453 O ALA A 29 -10.336 -1.416 -10.302 1.00 0.00 O ATOM 454 CB ALA A 29 -9.059 -1.026 -13.163 1.00 0.00 C ATOM 0 H ALA A 29 -6.967 -2.272 -12.799 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.286 -0.227 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.004 -0.486 -13.099 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.362 -0.465 -13.785 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.231 -2.007 -13.606 1.00 0.00 H new ATOM 460 N LEU A 30 -9.272 -3.266 -10.835 1.00 0.00 N ATOM 461 CA LEU A 30 -10.197 -4.079 -10.027 1.00 0.00 C ATOM 462 C LEU A 30 -9.859 -4.007 -8.556 1.00 0.00 C ATOM 463 O LEU A 30 -10.707 -3.700 -7.731 1.00 0.00 O ATOM 464 CB LEU A 30 -10.077 -5.538 -10.490 1.00 0.00 C ATOM 465 CG LEU A 30 -10.523 -5.635 -11.948 1.00 0.00 C ATOM 466 CD1 LEU A 30 -10.150 -7.012 -12.498 1.00 0.00 C ATOM 467 CD2 LEU A 30 -12.031 -5.450 -12.020 1.00 0.00 C ATOM 0 H LEU A 30 -8.526 -3.780 -11.304 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.209 -3.697 -10.161 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.048 -5.882 -10.387 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.693 -6.184 -9.864 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.031 -4.862 -12.539 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.466 -7.086 -13.538 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.070 -7.148 -12.436 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.647 -7.785 -11.912 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.357 -5.518 -13.058 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.521 -6.227 -11.434 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.297 -4.472 -11.620 1.00 0.00 H new ATOM 479 N TYR A 31 -8.627 -4.258 -8.242 1.00 0.00 N ATOM 480 CA TYR A 31 -8.238 -4.208 -6.826 1.00 0.00 C ATOM 481 C TYR A 31 -8.086 -2.780 -6.302 1.00 0.00 C ATOM 482 O TYR A 31 -8.388 -2.512 -5.162 1.00 0.00 O ATOM 483 CB TYR A 31 -6.899 -4.940 -6.672 1.00 0.00 C ATOM 484 CG TYR A 31 -6.247 -4.516 -5.362 1.00 0.00 C ATOM 485 CD1 TYR A 31 -5.655 -3.279 -5.249 1.00 0.00 C ATOM 486 CD2 TYR A 31 -6.251 -5.360 -4.273 1.00 0.00 C ATOM 487 CE1 TYR A 31 -5.076 -2.885 -4.065 1.00 0.00 C ATOM 488 CE2 TYR A 31 -5.672 -4.969 -3.086 1.00 0.00 C ATOM 489 CZ TYR A 31 -5.079 -3.728 -2.970 1.00 0.00 C ATOM 490 OH TYR A 31 -4.501 -3.334 -1.778 1.00 0.00 O ATOM 0 H TYR A 31 -7.884 -4.493 -8.900 1.00 0.00 H new ATOM 0 HA TYR A 31 -9.029 -4.681 -6.244 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.057 -6.018 -6.682 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.244 -4.706 -7.511 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.645 -2.611 -6.098 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -6.711 -6.334 -4.351 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.616 -1.911 -3.991 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -5.682 -5.639 -2.239 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.596 -4.050 -1.116 1.00 0.00 H new ATOM 500 N ASP A 32 -7.636 -1.893 -7.133 1.00 0.00 N ATOM 501 CA ASP A 32 -7.467 -0.490 -6.673 1.00 0.00 C ATOM 502 C ASP A 32 -8.781 0.290 -6.627 1.00 0.00 C ATOM 503 O ASP A 32 -8.898 1.237 -5.876 1.00 0.00 O ATOM 504 CB ASP A 32 -6.509 0.226 -7.639 1.00 0.00 C ATOM 505 CG ASP A 32 -5.916 1.456 -6.944 1.00 0.00 C ATOM 506 OD1 ASP A 32 -5.896 1.432 -5.724 1.00 0.00 O ATOM 507 OD2 ASP A 32 -5.519 2.351 -7.672 1.00 0.00 O ATOM 0 H ASP A 32 -7.379 -2.073 -8.104 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.075 -0.526 -5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.712 -0.451 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.041 0.525 -8.542 1.00 0.00 H new ATOM 512 N VAL A 33 -9.752 -0.097 -7.410 1.00 0.00 N ATOM 513 CA VAL A 33 -11.025 0.661 -7.365 1.00 0.00 C ATOM 514 C VAL A 33 -11.902 0.193 -6.225 1.00 0.00 C ATOM 515 O VAL A 33 -12.515 0.991 -5.552 1.00 0.00 O ATOM 516 CB VAL A 33 -11.775 0.462 -8.683 1.00 0.00 C ATOM 517 CG1 VAL A 33 -13.120 1.184 -8.605 1.00 0.00 C ATOM 518 CG2 VAL A 33 -10.948 1.067 -9.822 1.00 0.00 C ATOM 0 H VAL A 33 -9.719 -0.883 -8.060 1.00 0.00 H new ATOM 0 HA VAL A 33 -10.791 1.714 -7.212 1.00 0.00 H new ATOM 0 HB VAL A 33 -11.935 -0.601 -8.863 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.661 1.047 -9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.706 0.773 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.953 2.248 -8.435 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -11.475 0.930 -10.766 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.801 2.132 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.979 0.570 -9.872 1.00 0.00 H new ATOM 528 N LEU A 34 -11.956 -1.088 -6.019 1.00 0.00 N ATOM 529 CA LEU A 34 -12.802 -1.592 -4.915 1.00 0.00 C ATOM 530 C LEU A 34 -12.108 -1.434 -3.572 1.00 0.00 C ATOM 531 O LEU A 34 -12.754 -1.351 -2.545 1.00 0.00 O ATOM 532 CB LEU A 34 -13.071 -3.073 -5.148 1.00 0.00 C ATOM 533 CG LEU A 34 -13.536 -3.266 -6.579 1.00 0.00 C ATOM 534 CD1 LEU A 34 -13.599 -4.762 -6.895 1.00 0.00 C ATOM 535 CD2 LEU A 34 -14.932 -2.660 -6.739 1.00 0.00 C ATOM 0 H LEU A 34 -11.459 -1.797 -6.558 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.729 -1.018 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.168 -3.654 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -13.830 -3.433 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 34 -12.839 -2.777 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.933 -4.903 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.609 -5.202 -6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.300 -5.248 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.272 -2.795 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -15.624 -3.156 -6.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.896 -1.596 -6.506 1.00 0.00 H new ATOM 547 N ALA A 35 -10.809 -1.395 -3.597 1.00 0.00 N ATOM 548 CA ALA A 35 -10.068 -1.244 -2.326 1.00 0.00 C ATOM 549 C ALA A 35 -10.226 0.158 -1.749 1.00 0.00 C ATOM 550 O ALA A 35 -10.825 0.341 -0.708 1.00 0.00 O ATOM 551 CB ALA A 35 -8.581 -1.490 -2.606 1.00 0.00 C ATOM 0 H ALA A 35 -10.234 -1.461 -4.437 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.465 -1.958 -1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -8.014 -1.384 -1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -8.447 -2.497 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.223 -0.764 -3.336 1.00 0.00 H new ATOM 557 N LYS A 36 -9.684 1.118 -2.439 1.00 0.00 N ATOM 558 CA LYS A 36 -9.783 2.521 -1.959 1.00 0.00 C ATOM 559 C LYS A 36 -11.223 2.914 -1.631 1.00 0.00 C ATOM 560 O LYS A 36 -11.490 3.483 -0.591 1.00 0.00 O ATOM 561 CB LYS A 36 -9.265 3.446 -3.071 1.00 0.00 C ATOM 562 CG LYS A 36 -9.111 4.864 -2.517 1.00 0.00 C ATOM 563 CD LYS A 36 -7.959 5.565 -3.242 1.00 0.00 C ATOM 564 CE LYS A 36 -7.797 6.976 -2.678 1.00 0.00 C ATOM 565 NZ LYS A 36 -7.472 6.919 -1.226 1.00 0.00 N ATOM 0 H LYS A 36 -9.177 0.992 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.193 2.614 -1.047 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.308 3.083 -3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.957 3.445 -3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.037 5.423 -2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.915 4.829 -1.445 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.035 5.001 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.160 5.609 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.006 7.500 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.715 7.543 -2.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.024 7.811 -0.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.346 6.776 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.819 6.130 -1.047 1.00 0.00 H new ATOM 579 N GLU A 37 -12.124 2.606 -2.521 1.00 0.00 N ATOM 580 CA GLU A 37 -13.551 2.960 -2.274 1.00 0.00 C ATOM 581 C GLU A 37 -14.029 2.470 -0.915 1.00 0.00 C ATOM 582 O GLU A 37 -14.276 3.258 -0.020 1.00 0.00 O ATOM 583 CB GLU A 37 -14.417 2.298 -3.352 1.00 0.00 C ATOM 584 CG GLU A 37 -15.774 3.007 -3.404 1.00 0.00 C ATOM 585 CD GLU A 37 -16.473 2.673 -4.722 1.00 0.00 C ATOM 586 OE1 GLU A 37 -16.193 3.378 -5.679 1.00 0.00 O ATOM 587 OE2 GLU A 37 -17.250 1.733 -4.699 1.00 0.00 O ATOM 0 H GLU A 37 -11.937 2.128 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.637 4.046 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.923 2.358 -4.322 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.553 1.240 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.392 2.694 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.637 4.085 -3.316 1.00 0.00 H new ATOM 594 N SER A 38 -14.155 1.173 -0.795 1.00 0.00 N ATOM 595 CA SER A 38 -14.616 0.582 0.491 1.00 0.00 C ATOM 596 C SER A 38 -13.588 -0.387 1.040 1.00 0.00 C ATOM 597 O SER A 38 -13.375 -1.450 0.490 1.00 0.00 O ATOM 598 CB SER A 38 -15.921 -0.180 0.222 1.00 0.00 C ATOM 599 OG SER A 38 -15.958 -0.318 -1.192 1.00 0.00 O ATOM 0 H SER A 38 -13.957 0.499 -1.535 1.00 0.00 H new ATOM 0 HA SER A 38 -14.764 1.378 1.221 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.925 -1.151 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.787 0.370 0.591 1.00 0.00 H new ATOM 0 HG SER A 38 -16.770 -0.802 -1.452 1.00 0.00 H new ATOM 605 N GLU A 39 -12.966 0.001 2.113 1.00 0.00 N ATOM 606 CA GLU A 39 -11.946 -0.873 2.725 1.00 0.00 C ATOM 607 C GLU A 39 -12.546 -1.712 3.857 1.00 0.00 C ATOM 608 O GLU A 39 -12.086 -2.806 4.124 1.00 0.00 O ATOM 609 CB GLU A 39 -10.837 0.029 3.303 1.00 0.00 C ATOM 610 CG GLU A 39 -11.309 1.486 3.247 1.00 0.00 C ATOM 611 CD GLU A 39 -10.283 2.389 3.934 1.00 0.00 C ATOM 612 OE1 GLU A 39 -9.225 1.870 4.247 1.00 0.00 O ATOM 613 OE2 GLU A 39 -10.616 3.550 4.106 1.00 0.00 O ATOM 0 H GLU A 39 -13.123 0.888 2.591 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.553 -1.553 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.615 -0.257 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.916 -0.092 2.733 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.443 1.795 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.278 1.583 3.736 1.00 0.00 H new ATOM 620 N HIS A 40 -13.574 -1.188 4.501 1.00 0.00 N ATOM 621 CA HIS A 40 -14.204 -1.958 5.622 1.00 0.00 C ATOM 622 C HIS A 40 -15.433 -2.768 5.184 1.00 0.00 C ATOM 623 O HIS A 40 -15.671 -3.853 5.679 1.00 0.00 O ATOM 624 CB HIS A 40 -14.651 -0.973 6.720 1.00 0.00 C ATOM 625 CG HIS A 40 -14.083 0.417 6.436 1.00 0.00 C ATOM 626 ND1 HIS A 40 -14.746 1.474 6.452 1.00 0.00 N ATOM 627 CD2 HIS A 40 -12.795 0.796 6.119 1.00 0.00 C ATOM 628 CE1 HIS A 40 -14.027 2.480 6.180 1.00 0.00 C ATOM 629 NE2 HIS A 40 -12.756 2.147 5.950 1.00 0.00 N ATOM 0 H HIS A 40 -13.993 -0.280 4.301 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.452 -2.660 5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.739 -0.929 6.760 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.310 -1.322 7.695 1.00 0.00 H new ATOM 0 HD1 HIS A 40 -15.744 1.522 6.659 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -11.952 0.128 6.021 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -14.400 3.493 6.139 1.00 0.00 H new ATOM 637 N PRO A 41 -16.217 -2.199 4.296 1.00 0.00 N ATOM 638 CA PRO A 41 -17.430 -2.860 3.790 1.00 0.00 C ATOM 639 C PRO A 41 -17.289 -3.597 2.402 1.00 0.00 C ATOM 640 O PRO A 41 -18.289 -3.812 1.742 1.00 0.00 O ATOM 641 CB PRO A 41 -18.388 -1.663 3.582 1.00 0.00 C ATOM 642 CG PRO A 41 -17.498 -0.369 3.558 1.00 0.00 C ATOM 643 CD PRO A 41 -16.058 -0.816 3.871 1.00 0.00 C ATOM 0 HA PRO A 41 -17.735 -3.643 4.484 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -18.942 -1.769 2.649 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -19.123 -1.612 4.385 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -17.549 0.118 2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -17.847 0.355 4.295 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -15.414 -0.737 2.995 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -15.609 -0.205 4.654 1.00 0.00 H new ATOM 651 N PRO A 42 -16.084 -3.995 1.974 1.00 0.00 N ATOM 652 CA PRO A 42 -15.952 -4.677 0.688 1.00 0.00 C ATOM 653 C PRO A 42 -16.458 -6.111 0.754 1.00 0.00 C ATOM 654 O PRO A 42 -16.836 -6.595 1.802 1.00 0.00 O ATOM 655 CB PRO A 42 -14.448 -4.702 0.408 1.00 0.00 C ATOM 656 CG PRO A 42 -13.735 -4.344 1.746 1.00 0.00 C ATOM 657 CD PRO A 42 -14.819 -3.817 2.704 1.00 0.00 C ATOM 0 HA PRO A 42 -16.533 -4.167 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -14.137 -5.685 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.188 -3.986 -0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -13.241 -5.220 2.166 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -12.964 -3.591 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.822 -4.372 3.642 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -14.651 -2.770 2.954 1.00 0.00 H new ATOM 665 N GLN A 43 -16.458 -6.758 -0.379 1.00 0.00 N ATOM 666 CA GLN A 43 -16.928 -8.163 -0.429 1.00 0.00 C ATOM 667 C GLN A 43 -15.734 -9.116 -0.368 1.00 0.00 C ATOM 668 O GLN A 43 -15.672 -9.999 0.464 1.00 0.00 O ATOM 669 CB GLN A 43 -17.679 -8.409 -1.767 1.00 0.00 C ATOM 670 CG GLN A 43 -18.069 -7.074 -2.433 1.00 0.00 C ATOM 671 CD GLN A 43 -19.349 -6.540 -1.785 1.00 0.00 C ATOM 672 OE1 GLN A 43 -19.321 -5.612 -1.001 1.00 0.00 O ATOM 673 NE2 GLN A 43 -20.494 -7.097 -2.086 1.00 0.00 N ATOM 0 H GLN A 43 -16.152 -6.370 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 43 -17.590 -8.342 0.419 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.047 -8.986 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -18.574 -9.003 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -17.262 -6.350 -2.322 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -18.222 -7.219 -3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -20.525 -7.876 -2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -21.356 -6.752 -1.663 1.00 0.00 H new ATOM 682 N SER A 44 -14.809 -8.902 -1.267 1.00 0.00 N ATOM 683 CA SER A 44 -13.591 -9.749 -1.328 1.00 0.00 C ATOM 684 C SER A 44 -12.770 -9.350 -2.535 1.00 0.00 C ATOM 685 O SER A 44 -12.526 -10.135 -3.416 1.00 0.00 O ATOM 686 CB SER A 44 -14.017 -11.218 -1.454 1.00 0.00 C ATOM 687 OG SER A 44 -15.181 -11.178 -2.265 1.00 0.00 O ATOM 0 H SER A 44 -14.851 -8.164 -1.970 1.00 0.00 H new ATOM 0 HA SER A 44 -12.994 -9.617 -0.426 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.233 -11.821 -1.912 1.00 0.00 H new ATOM 0 HB3 SER A 44 -14.227 -11.656 -0.478 1.00 0.00 H new ATOM 0 HG SER A 44 -15.519 -12.088 -2.397 1.00 0.00 H new ATOM 693 N ILE A 45 -12.362 -8.116 -2.528 1.00 0.00 N ATOM 694 CA ILE A 45 -11.549 -7.576 -3.643 1.00 0.00 C ATOM 695 C ILE A 45 -10.607 -8.601 -4.239 1.00 0.00 C ATOM 696 O ILE A 45 -10.544 -8.760 -5.442 1.00 0.00 O ATOM 697 CB ILE A 45 -10.701 -6.437 -3.088 1.00 0.00 C ATOM 698 CG1 ILE A 45 -11.544 -5.511 -2.198 1.00 0.00 C ATOM 699 CG2 ILE A 45 -10.139 -5.635 -4.266 1.00 0.00 C ATOM 700 CD1 ILE A 45 -12.960 -5.376 -2.764 1.00 0.00 C ATOM 0 H ILE A 45 -12.562 -7.449 -1.783 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.233 -7.256 -4.429 1.00 0.00 H new ATOM 0 HB ILE A 45 -9.895 -6.851 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.587 -5.909 -1.184 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.075 -4.529 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.529 -4.814 -3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.527 -6.286 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -10.961 -5.233 -4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -13.547 -4.717 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.912 -4.957 -3.769 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.431 -6.358 -2.803 1.00 0.00 H new ATOM 712 N LEU A 46 -9.894 -9.278 -3.407 1.00 0.00 N ATOM 713 CA LEU A 46 -8.958 -10.286 -3.938 1.00 0.00 C ATOM 714 C LEU A 46 -9.704 -11.367 -4.704 1.00 0.00 C ATOM 715 O LEU A 46 -9.359 -11.692 -5.819 1.00 0.00 O ATOM 716 CB LEU A 46 -8.213 -10.933 -2.757 1.00 0.00 C ATOM 717 CG LEU A 46 -6.695 -10.854 -2.997 1.00 0.00 C ATOM 718 CD1 LEU A 46 -5.991 -11.816 -2.042 1.00 0.00 C ATOM 719 CD2 LEU A 46 -6.374 -11.260 -4.440 1.00 0.00 C ATOM 0 H LEU A 46 -9.915 -9.181 -2.392 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.259 -9.798 -4.618 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.471 -10.424 -1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.520 -11.973 -2.646 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.354 -9.833 -2.824 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.914 -11.767 -2.205 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.216 -11.536 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.340 -12.832 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.298 -11.202 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.713 -12.281 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.883 -10.586 -5.129 1.00 0.00 H new ATOM 731 N HIS A 47 -10.722 -11.885 -4.096 1.00 0.00 N ATOM 732 CA HIS A 47 -11.514 -12.949 -4.757 1.00 0.00 C ATOM 733 C HIS A 47 -12.309 -12.429 -5.956 1.00 0.00 C ATOM 734 O HIS A 47 -12.447 -13.118 -6.946 1.00 0.00 O ATOM 735 CB HIS A 47 -12.491 -13.513 -3.714 1.00 0.00 C ATOM 736 CG HIS A 47 -12.755 -14.990 -4.004 1.00 0.00 C ATOM 737 ND1 HIS A 47 -12.482 -15.569 -5.076 1.00 0.00 N ATOM 738 CD2 HIS A 47 -13.323 -15.958 -3.197 1.00 0.00 C ATOM 739 CE1 HIS A 47 -12.812 -16.794 -5.041 1.00 0.00 C ATOM 740 NE2 HIS A 47 -13.360 -17.138 -3.875 1.00 0.00 N ATOM 0 H HIS A 47 -11.043 -11.618 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 47 -10.830 -13.710 -5.133 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.076 -13.397 -2.713 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -13.427 -12.954 -3.738 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.680 -15.803 -2.190 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -12.666 -17.480 -5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.713 -18.045 -3.571 1.00 0.00 H new ATOM 748 N THR A 48 -12.815 -11.241 -5.855 1.00 0.00 N ATOM 749 CA THR A 48 -13.591 -10.699 -6.987 1.00 0.00 C ATOM 750 C THR A 48 -12.690 -10.424 -8.166 1.00 0.00 C ATOM 751 O THR A 48 -12.810 -11.044 -9.201 1.00 0.00 O ATOM 752 CB THR A 48 -14.247 -9.386 -6.546 1.00 0.00 C ATOM 753 OG1 THR A 48 -15.333 -9.768 -5.729 1.00 0.00 O ATOM 754 CG2 THR A 48 -14.895 -8.667 -7.742 1.00 0.00 C ATOM 0 H THR A 48 -12.726 -10.628 -5.045 1.00 0.00 H new ATOM 0 HA THR A 48 -14.345 -11.428 -7.284 1.00 0.00 H new ATOM 0 HB THR A 48 -13.505 -8.743 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 48 -15.799 -8.968 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 48 -15.354 -7.738 -7.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 -14.133 -8.444 -8.489 1.00 0.00 H new ATOM 0 HG23 THR A 48 -15.658 -9.309 -8.183 1.00 0.00 H new ATOM 762 N ALA A 49 -11.794 -9.510 -7.992 1.00 0.00 N ATOM 763 CA ALA A 49 -10.883 -9.192 -9.104 1.00 0.00 C ATOM 764 C ALA A 49 -10.199 -10.449 -9.623 1.00 0.00 C ATOM 765 O ALA A 49 -9.988 -10.592 -10.810 1.00 0.00 O ATOM 766 CB ALA A 49 -9.817 -8.212 -8.599 1.00 0.00 C ATOM 0 H ALA A 49 -11.654 -8.974 -7.136 1.00 0.00 H new ATOM 0 HA ALA A 49 -11.458 -8.751 -9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.134 -7.967 -9.412 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.299 -7.302 -8.243 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.259 -8.670 -7.782 1.00 0.00 H new ATOM 772 N LYS A 50 -9.867 -11.349 -8.732 1.00 0.00 N ATOM 773 CA LYS A 50 -9.197 -12.591 -9.194 1.00 0.00 C ATOM 774 C LYS A 50 -9.978 -13.255 -10.319 1.00 0.00 C ATOM 775 O LYS A 50 -9.396 -13.847 -11.206 1.00 0.00 O ATOM 776 CB LYS A 50 -9.128 -13.581 -8.026 1.00 0.00 C ATOM 777 CG LYS A 50 -7.782 -13.432 -7.305 1.00 0.00 C ATOM 778 CD LYS A 50 -6.836 -14.544 -7.767 1.00 0.00 C ATOM 779 CE LYS A 50 -6.591 -14.409 -9.271 1.00 0.00 C ATOM 780 NZ LYS A 50 -5.731 -15.526 -9.759 1.00 0.00 N ATOM 0 H LYS A 50 -10.028 -11.277 -7.727 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.203 -12.325 -9.555 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.947 -13.397 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -9.245 -14.601 -8.393 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.347 -12.456 -7.520 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.926 -13.486 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.892 -14.481 -7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.267 -15.520 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.542 -14.415 -9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.112 -13.453 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.573 -15.421 -10.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.817 -15.502 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.203 -16.434 -9.573 1.00 0.00 H new ATOM 794 N ALA A 51 -11.282 -13.146 -10.267 1.00 0.00 N ATOM 795 CA ALA A 51 -12.106 -13.778 -11.333 1.00 0.00 C ATOM 796 C ALA A 51 -12.490 -12.802 -12.450 1.00 0.00 C ATOM 797 O ALA A 51 -12.226 -13.051 -13.610 1.00 0.00 O ATOM 798 CB ALA A 51 -13.395 -14.299 -10.686 1.00 0.00 C ATOM 0 H ALA A 51 -11.803 -12.653 -9.542 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.513 -14.574 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -14.020 -14.768 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -13.146 -15.031 -9.918 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -13.937 -13.468 -10.234 1.00 0.00 H new ATOM 804 N ILE A 52 -13.106 -11.715 -12.082 1.00 0.00 N ATOM 805 CA ILE A 52 -13.517 -10.718 -13.111 1.00 0.00 C ATOM 806 C ILE A 52 -12.352 -10.291 -14.005 1.00 0.00 C ATOM 807 O ILE A 52 -12.558 -9.713 -15.052 1.00 0.00 O ATOM 808 CB ILE A 52 -14.057 -9.481 -12.385 1.00 0.00 C ATOM 809 CG1 ILE A 52 -15.504 -9.713 -11.978 1.00 0.00 C ATOM 810 CG2 ILE A 52 -14.014 -8.282 -13.350 1.00 0.00 C ATOM 811 CD1 ILE A 52 -15.556 -10.789 -10.895 1.00 0.00 C ATOM 0 H ILE A 52 -13.342 -11.473 -11.120 1.00 0.00 H new ATOM 0 HA ILE A 52 -14.272 -11.178 -13.749 1.00 0.00 H new ATOM 0 HB ILE A 52 -13.450 -9.289 -11.500 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.943 -8.786 -11.608 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.092 -10.022 -12.842 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.396 -7.395 -12.845 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -12.986 -8.106 -13.665 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.630 -8.496 -14.224 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.592 -10.959 -10.600 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.132 -11.716 -11.282 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.981 -10.461 -10.029 1.00 0.00 H new ATOM 823 N GLU A 53 -11.157 -10.589 -13.591 1.00 0.00 N ATOM 824 CA GLU A 53 -9.983 -10.195 -14.422 1.00 0.00 C ATOM 825 C GLU A 53 -9.669 -11.222 -15.515 1.00 0.00 C ATOM 826 O GLU A 53 -9.052 -10.894 -16.509 1.00 0.00 O ATOM 827 CB GLU A 53 -8.766 -10.084 -13.495 1.00 0.00 C ATOM 828 CG GLU A 53 -8.394 -11.478 -12.989 1.00 0.00 C ATOM 829 CD GLU A 53 -7.427 -11.344 -11.810 1.00 0.00 C ATOM 830 OE1 GLU A 53 -7.583 -10.372 -11.091 1.00 0.00 O ATOM 831 OE2 GLU A 53 -6.588 -12.221 -11.697 1.00 0.00 O ATOM 0 H GLU A 53 -10.939 -11.082 -12.725 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.214 -9.250 -14.913 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.925 -9.641 -14.029 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.992 -9.427 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.290 -12.017 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.933 -12.057 -13.789 1.00 0.00 H new ATOM 838 N SER A 54 -10.094 -12.439 -15.315 1.00 0.00 N ATOM 839 CA SER A 54 -9.820 -13.491 -16.338 1.00 0.00 C ATOM 840 C SER A 54 -10.986 -13.687 -17.315 1.00 0.00 C ATOM 841 O SER A 54 -10.856 -14.409 -18.285 1.00 0.00 O ATOM 842 CB SER A 54 -9.577 -14.816 -15.602 1.00 0.00 C ATOM 843 OG SER A 54 -10.874 -15.238 -15.213 1.00 0.00 O ATOM 0 H SER A 54 -10.615 -12.750 -14.495 1.00 0.00 H new ATOM 0 HA SER A 54 -8.954 -13.175 -16.920 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.097 -15.549 -16.250 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.927 -14.679 -14.738 1.00 0.00 H new ATOM 0 HG SER A 54 -11.263 -14.578 -14.602 1.00 0.00 H new ATOM 849 N GLU A 55 -12.106 -13.058 -17.048 1.00 0.00 N ATOM 850 CA GLU A 55 -13.269 -13.226 -17.974 1.00 0.00 C ATOM 851 C GLU A 55 -13.362 -12.123 -19.020 1.00 0.00 C ATOM 852 O GLU A 55 -13.139 -12.359 -20.186 1.00 0.00 O ATOM 853 CB GLU A 55 -14.560 -13.214 -17.145 1.00 0.00 C ATOM 854 CG GLU A 55 -15.534 -14.238 -17.730 1.00 0.00 C ATOM 855 CD GLU A 55 -15.957 -13.796 -19.135 1.00 0.00 C ATOM 856 OE1 GLU A 55 -16.839 -12.954 -19.195 1.00 0.00 O ATOM 857 OE2 GLU A 55 -15.374 -14.324 -20.069 1.00 0.00 O ATOM 0 H GLU A 55 -12.264 -12.448 -16.246 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.129 -14.169 -18.502 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.342 -13.453 -16.104 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.006 -12.220 -17.157 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.064 -15.220 -17.772 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.410 -14.331 -17.088 1.00 0.00 H new ATOM 864 N MET A 56 -13.701 -10.949 -18.594 1.00 0.00 N ATOM 865 CA MET A 56 -13.811 -9.832 -19.568 1.00 0.00 C ATOM 866 C MET A 56 -12.529 -9.661 -20.375 1.00 0.00 C ATOM 867 O MET A 56 -12.508 -8.932 -21.347 1.00 0.00 O ATOM 868 CB MET A 56 -14.077 -8.527 -18.793 1.00 0.00 C ATOM 869 CG MET A 56 -13.580 -8.677 -17.356 1.00 0.00 C ATOM 870 SD MET A 56 -13.462 -7.170 -16.358 1.00 0.00 S ATOM 871 CE MET A 56 -11.872 -6.589 -17.002 1.00 0.00 C ATOM 0 H MET A 56 -13.906 -10.711 -17.624 1.00 0.00 H new ATOM 0 HA MET A 56 -14.624 -10.059 -20.257 1.00 0.00 H new ATOM 0 HB2 MET A 56 -13.570 -7.693 -19.279 1.00 0.00 H new ATOM 0 HB3 MET A 56 -15.143 -8.299 -18.798 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.243 -9.372 -16.840 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.594 -9.140 -17.387 1.00 0.00 H new ATOM 0 HE1 MET A 56 -11.482 -5.804 -16.354 1.00 0.00 H new ATOM 0 HE2 MET A 56 -11.166 -7.419 -17.032 1.00 0.00 H new ATOM 0 HE3 MET A 56 -12.010 -6.193 -18.008 1.00 0.00 H new ATOM 881 N ASN A 57 -11.484 -10.334 -19.965 1.00 0.00 N ATOM 882 CA ASN A 57 -10.196 -10.206 -20.713 1.00 0.00 C ATOM 883 C ASN A 57 -9.976 -11.344 -21.716 1.00 0.00 C ATOM 884 O ASN A 57 -9.067 -11.288 -22.520 1.00 0.00 O ATOM 885 CB ASN A 57 -9.051 -10.207 -19.693 1.00 0.00 C ATOM 886 CG ASN A 57 -8.669 -11.647 -19.353 1.00 0.00 C ATOM 887 OD1 ASN A 57 -7.510 -12.010 -19.351 1.00 0.00 O ATOM 888 ND2 ASN A 57 -9.610 -12.496 -19.056 1.00 0.00 N ATOM 0 H ASN A 57 -11.465 -10.957 -19.158 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.228 -9.279 -21.285 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.189 -9.677 -20.098 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.355 -9.678 -18.790 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -9.372 -13.460 -18.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -10.585 -12.197 -19.056 1.00 0.00 H new ATOM 895 N LYS A 58 -10.803 -12.349 -21.661 1.00 0.00 N ATOM 896 CA LYS A 58 -10.630 -13.481 -22.614 1.00 0.00 C ATOM 897 C LYS A 58 -10.712 -13.021 -24.075 1.00 0.00 C ATOM 898 O LYS A 58 -9.713 -12.988 -24.767 1.00 0.00 O ATOM 899 CB LYS A 58 -11.744 -14.507 -22.356 1.00 0.00 C ATOM 900 CG LYS A 58 -11.143 -15.914 -22.421 1.00 0.00 C ATOM 901 CD LYS A 58 -10.593 -16.159 -23.830 1.00 0.00 C ATOM 902 CE LYS A 58 -9.940 -17.543 -23.882 1.00 0.00 C ATOM 903 NZ LYS A 58 -10.919 -18.563 -24.353 1.00 0.00 N ATOM 0 H LYS A 58 -11.581 -12.437 -21.008 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.642 -13.914 -22.454 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.197 -14.335 -21.380 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.535 -14.400 -23.098 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.347 -16.018 -21.683 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.901 -16.659 -22.178 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.397 -16.095 -24.563 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.865 -15.390 -24.088 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.079 -17.521 -24.550 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.570 -17.815 -22.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.461 -19.496 -24.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -11.728 -18.595 -23.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.252 -18.311 -25.305 1.00 0.00 H new ATOM 917 N VAL A 59 -11.905 -12.671 -24.514 1.00 0.00 N ATOM 918 CA VAL A 59 -12.077 -12.209 -25.930 1.00 0.00 C ATOM 919 C VAL A 59 -12.623 -10.790 -25.978 1.00 0.00 C ATOM 920 O VAL A 59 -13.688 -10.518 -25.462 1.00 0.00 O ATOM 921 CB VAL A 59 -13.093 -13.134 -26.616 1.00 0.00 C ATOM 922 CG1 VAL A 59 -12.353 -14.274 -27.322 1.00 0.00 C ATOM 923 CG2 VAL A 59 -14.032 -13.717 -25.561 1.00 0.00 C ATOM 0 H VAL A 59 -12.758 -12.686 -23.955 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.108 -12.233 -26.429 1.00 0.00 H new ATOM 0 HB VAL A 59 -13.667 -12.567 -27.348 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.075 -14.930 -27.809 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -11.677 -13.860 -28.070 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.780 -14.844 -26.591 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -14.756 -14.375 -26.042 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -13.453 -14.285 -24.833 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -14.558 -12.907 -25.055 1.00 0.00 H new ATOM 933 N ASN A 60 -11.889 -9.904 -26.598 1.00 0.00 N ATOM 934 CA ASN A 60 -12.372 -8.503 -26.676 1.00 0.00 C ATOM 935 C ASN A 60 -11.860 -7.791 -27.928 1.00 0.00 C ATOM 936 O ASN A 60 -11.636 -8.402 -28.955 1.00 0.00 O ATOM 937 CB ASN A 60 -11.862 -7.755 -25.439 1.00 0.00 C ATOM 938 CG ASN A 60 -12.352 -8.471 -24.178 1.00 0.00 C ATOM 939 OD1 ASN A 60 -13.376 -8.135 -23.617 1.00 0.00 O ATOM 940 ND2 ASN A 60 -11.652 -9.462 -23.699 1.00 0.00 N ATOM 0 H ASN A 60 -10.991 -10.089 -27.046 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.461 -8.514 -26.720 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.773 -7.714 -25.448 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.220 -6.725 -25.449 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.965 -9.949 -22.859 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.791 -9.750 -24.164 1.00 0.00 H new ATOM 947 N ASN A 61 -11.689 -6.501 -27.805 1.00 0.00 N ATOM 948 CA ASN A 61 -11.195 -5.697 -28.951 1.00 0.00 C ATOM 949 C ASN A 61 -9.680 -5.521 -28.882 1.00 0.00 C ATOM 950 O ASN A 61 -9.080 -4.976 -29.776 1.00 0.00 O ATOM 951 CB ASN A 61 -11.863 -4.315 -28.888 1.00 0.00 C ATOM 952 CG ASN A 61 -13.384 -4.488 -28.905 1.00 0.00 C ATOM 953 OD1 ASN A 61 -13.927 -5.365 -28.264 1.00 0.00 O ATOM 954 ND2 ASN A 61 -14.106 -3.676 -29.629 1.00 0.00 N ATOM 0 H ASN A 61 -11.873 -5.971 -26.953 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.439 -6.210 -29.881 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.555 -3.790 -27.984 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.545 -3.706 -29.734 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -15.120 -3.780 -29.654 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.656 -2.937 -30.170 1.00 0.00 H new ATOM 961 N CYS A 62 -9.109 -5.957 -27.794 1.00 0.00 N ATOM 962 CA CYS A 62 -7.629 -5.841 -27.611 1.00 0.00 C ATOM 963 C CYS A 62 -6.846 -6.262 -28.867 1.00 0.00 C ATOM 964 O CYS A 62 -5.642 -6.109 -28.920 1.00 0.00 O ATOM 965 CB CYS A 62 -7.218 -6.766 -26.454 1.00 0.00 C ATOM 966 SG CYS A 62 -8.277 -6.783 -24.986 1.00 0.00 S ATOM 0 H CYS A 62 -9.605 -6.392 -27.016 1.00 0.00 H new ATOM 0 HA CYS A 62 -7.395 -4.796 -27.407 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.161 -7.784 -26.840 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.212 -6.487 -26.141 1.00 0.00 H new ATOM 0 HG CYS A 62 -8.940 -5.667 -24.917 1.00 0.00 H new ATOM 972 N ASP A 63 -7.533 -6.782 -29.848 1.00 0.00 N ATOM 973 CA ASP A 63 -6.822 -7.212 -31.086 1.00 0.00 C ATOM 974 C ASP A 63 -6.664 -6.071 -32.105 1.00 0.00 C ATOM 975 O ASP A 63 -5.796 -6.128 -32.955 1.00 0.00 O ATOM 976 CB ASP A 63 -7.641 -8.336 -31.737 1.00 0.00 C ATOM 977 CG ASP A 63 -9.097 -7.887 -31.872 1.00 0.00 C ATOM 978 OD1 ASP A 63 -9.759 -7.884 -30.846 1.00 0.00 O ATOM 979 OD2 ASP A 63 -9.465 -7.570 -32.990 1.00 0.00 O ATOM 0 H ASP A 63 -8.543 -6.926 -29.847 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.822 -7.541 -30.804 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.231 -8.580 -32.717 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.582 -9.241 -31.133 1.00 0.00 H new ATOM 984 N THR A 64 -7.493 -5.062 -32.017 1.00 0.00 N ATOM 985 CA THR A 64 -7.365 -3.937 -32.992 1.00 0.00 C ATOM 986 C THR A 64 -7.803 -2.612 -32.383 1.00 0.00 C ATOM 987 O THR A 64 -7.610 -1.565 -32.970 1.00 0.00 O ATOM 988 CB THR A 64 -8.251 -4.238 -34.205 1.00 0.00 C ATOM 989 OG1 THR A 64 -8.235 -3.057 -34.980 1.00 0.00 O ATOM 990 CG2 THR A 64 -9.718 -4.404 -33.787 1.00 0.00 C ATOM 0 H THR A 64 -8.239 -4.968 -31.327 1.00 0.00 H new ATOM 0 HA THR A 64 -6.317 -3.850 -33.279 1.00 0.00 H new ATOM 0 HB THR A 64 -7.894 -5.138 -34.707 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.676 -2.384 -34.539 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.325 -4.617 -34.667 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.804 -5.228 -33.079 1.00 0.00 H new ATOM 0 HG23 THR A 64 -10.069 -3.485 -33.318 1.00 0.00 H new ATOM 998 N ASN A 65 -8.380 -2.674 -31.224 1.00 0.00 N ATOM 999 CA ASN A 65 -8.831 -1.422 -30.572 1.00 0.00 C ATOM 1000 C ASN A 65 -8.747 -1.551 -29.060 1.00 0.00 C ATOM 1001 O ASN A 65 -9.713 -1.890 -28.407 1.00 0.00 O ATOM 1002 CB ASN A 65 -10.290 -1.156 -30.976 1.00 0.00 C ATOM 1003 CG ASN A 65 -10.325 -0.574 -32.392 1.00 0.00 C ATOM 1004 OD1 ASN A 65 -10.990 -1.087 -33.269 1.00 0.00 O ATOM 1005 ND2 ASN A 65 -9.623 0.494 -32.654 1.00 0.00 N ATOM 0 H ASN A 65 -8.559 -3.531 -30.701 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.190 -0.599 -30.889 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -10.865 -2.081 -30.936 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -10.753 -0.463 -30.274 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.634 0.894 -33.592 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.063 0.929 -31.921 1.00 0.00 H new ATOM 1012 N GLU A 66 -7.589 -1.277 -28.533 1.00 0.00 N ATOM 1013 CA GLU A 66 -7.412 -1.376 -27.063 1.00 0.00 C ATOM 1014 C GLU A 66 -8.231 -0.310 -26.361 1.00 0.00 C ATOM 1015 O GLU A 66 -8.605 -0.456 -25.208 1.00 0.00 O ATOM 1016 CB GLU A 66 -5.928 -1.152 -26.737 1.00 0.00 C ATOM 1017 CG GLU A 66 -5.106 -2.300 -27.327 1.00 0.00 C ATOM 1018 CD GLU A 66 -5.133 -3.492 -26.366 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -5.808 -3.360 -25.358 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -4.480 -4.468 -26.695 1.00 0.00 O ATOM 0 H GLU A 66 -6.761 -0.990 -29.055 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.741 -2.358 -26.724 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.593 -0.200 -27.148 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.784 -1.102 -25.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.511 -2.591 -28.296 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.078 -1.977 -27.495 1.00 0.00 H new ATOM 1027 N ALA A 67 -8.505 0.742 -27.073 1.00 0.00 N ATOM 1028 CA ALA A 67 -9.295 1.833 -26.482 1.00 0.00 C ATOM 1029 C ALA A 67 -10.709 1.360 -26.217 1.00 0.00 C ATOM 1030 O ALA A 67 -11.381 1.846 -25.328 1.00 0.00 O ATOM 1031 CB ALA A 67 -9.328 2.993 -27.484 1.00 0.00 C ATOM 0 H ALA A 67 -8.213 0.887 -28.039 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.848 2.151 -25.540 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.909 3.816 -27.068 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.311 3.331 -27.683 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.787 2.658 -28.414 1.00 0.00 H new ATOM 1037 N ALA A 68 -11.136 0.411 -27.000 1.00 0.00 N ATOM 1038 CA ALA A 68 -12.500 -0.121 -26.825 1.00 0.00 C ATOM 1039 C ALA A 68 -12.564 -1.005 -25.589 1.00 0.00 C ATOM 1040 O ALA A 68 -13.584 -1.094 -24.936 1.00 0.00 O ATOM 1041 CB ALA A 68 -12.843 -0.962 -28.060 1.00 0.00 C ATOM 0 H ALA A 68 -10.594 -0.015 -27.752 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.205 0.702 -26.706 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.849 -1.368 -27.956 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.795 -0.336 -28.951 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -12.129 -1.781 -28.153 1.00 0.00 H new ATOM 1047 N TYR A 69 -11.466 -1.647 -25.291 1.00 0.00 N ATOM 1048 CA TYR A 69 -11.440 -2.528 -24.103 1.00 0.00 C ATOM 1049 C TYR A 69 -11.608 -1.706 -22.841 1.00 0.00 C ATOM 1050 O TYR A 69 -12.417 -2.020 -21.991 1.00 0.00 O ATOM 1051 CB TYR A 69 -10.079 -3.239 -24.046 1.00 0.00 C ATOM 1052 CG TYR A 69 -10.120 -4.311 -22.955 1.00 0.00 C ATOM 1053 CD1 TYR A 69 -9.908 -3.977 -21.633 1.00 0.00 C ATOM 1054 CD2 TYR A 69 -10.388 -5.623 -23.277 1.00 0.00 C ATOM 1055 CE1 TYR A 69 -9.967 -4.942 -20.650 1.00 0.00 C ATOM 1056 CE2 TYR A 69 -10.447 -6.586 -22.297 1.00 0.00 C ATOM 1057 CZ TYR A 69 -10.237 -6.254 -20.973 1.00 0.00 C ATOM 1058 OH TYR A 69 -10.305 -7.218 -19.989 1.00 0.00 O ATOM 0 H TYR A 69 -10.595 -1.596 -25.819 1.00 0.00 H new ATOM 0 HA TYR A 69 -12.252 -3.252 -24.175 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.851 -3.693 -25.011 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.287 -2.520 -23.837 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.694 -2.952 -21.366 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.553 -5.898 -24.308 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.800 -4.667 -19.619 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -10.659 -7.610 -22.565 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.144 -6.805 -19.115 1.00 0.00 H new ATOM 1068 N LYS A 70 -10.835 -0.661 -22.740 1.00 0.00 N ATOM 1069 CA LYS A 70 -10.931 0.199 -21.541 1.00 0.00 C ATOM 1070 C LYS A 70 -12.330 0.791 -21.409 1.00 0.00 C ATOM 1071 O LYS A 70 -12.903 0.803 -20.338 1.00 0.00 O ATOM 1072 CB LYS A 70 -9.916 1.345 -21.693 1.00 0.00 C ATOM 1073 CG LYS A 70 -10.375 2.544 -20.861 1.00 0.00 C ATOM 1074 CD LYS A 70 -9.157 3.390 -20.491 1.00 0.00 C ATOM 1075 CE LYS A 70 -8.484 3.887 -21.774 1.00 0.00 C ATOM 1076 NZ LYS A 70 -9.508 4.234 -22.799 1.00 0.00 N ATOM 0 H LYS A 70 -10.146 -0.371 -23.434 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.723 -0.397 -20.652 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.929 1.017 -21.365 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.826 1.629 -22.741 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.091 3.142 -21.425 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.885 2.204 -19.960 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.460 4.236 -19.873 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.455 2.800 -19.902 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.870 4.760 -21.555 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.817 3.118 -22.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.079 4.841 -23.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.866 3.363 -23.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.295 4.741 -22.346 1.00 0.00 H new ATOM 1090 N ALA A 71 -12.856 1.268 -22.502 1.00 0.00 N ATOM 1091 CA ALA A 71 -14.215 1.863 -22.461 1.00 0.00 C ATOM 1092 C ALA A 71 -15.224 0.890 -21.860 1.00 0.00 C ATOM 1093 O ALA A 71 -15.837 1.172 -20.851 1.00 0.00 O ATOM 1094 CB ALA A 71 -14.644 2.191 -23.899 1.00 0.00 C ATOM 0 H ALA A 71 -12.404 1.271 -23.417 1.00 0.00 H new ATOM 0 HA ALA A 71 -14.188 2.760 -21.842 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -15.642 2.630 -23.890 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -13.940 2.899 -24.336 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -14.655 1.277 -24.493 1.00 0.00 H new ATOM 1100 N ARG A 72 -15.377 -0.241 -22.492 1.00 0.00 N ATOM 1101 CA ARG A 72 -16.342 -1.243 -21.973 1.00 0.00 C ATOM 1102 C ARG A 72 -16.058 -1.580 -20.515 1.00 0.00 C ATOM 1103 O ARG A 72 -16.850 -1.291 -19.646 1.00 0.00 O ATOM 1104 CB ARG A 72 -16.204 -2.527 -22.805 1.00 0.00 C ATOM 1105 CG ARG A 72 -16.451 -2.199 -24.277 1.00 0.00 C ATOM 1106 CD ARG A 72 -17.956 -2.219 -24.551 1.00 0.00 C ATOM 1107 NE ARG A 72 -18.284 -3.429 -25.354 1.00 0.00 N ATOM 1108 CZ ARG A 72 -17.898 -3.492 -26.597 1.00 0.00 C ATOM 1109 NH1 ARG A 72 -16.690 -3.912 -26.861 1.00 0.00 N ATOM 1110 NH2 ARG A 72 -18.732 -3.135 -27.532 1.00 0.00 N ATOM 0 H ARG A 72 -14.878 -0.511 -23.340 1.00 0.00 H new ATOM 0 HA ARG A 72 -17.347 -0.828 -22.045 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.209 -2.953 -22.677 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.918 -3.276 -22.462 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.038 -1.219 -24.518 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.944 -2.924 -24.914 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -18.510 -2.228 -23.612 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.253 -1.318 -25.088 1.00 0.00 H new ATOM 0 HE ARG A 72 -18.805 -4.200 -24.936 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -16.067 -4.184 -26.100 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -16.370 -3.968 -27.828 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.668 -2.813 -27.285 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.449 -3.177 -28.511 1.00 0.00 H new ATOM 1124 N TYR A 73 -14.930 -2.189 -20.284 1.00 0.00 N ATOM 1125 CA TYR A 73 -14.558 -2.564 -18.893 1.00 0.00 C ATOM 1126 C TYR A 73 -14.976 -1.504 -17.876 1.00 0.00 C ATOM 1127 O TYR A 73 -15.852 -1.731 -17.079 1.00 0.00 O ATOM 1128 CB TYR A 73 -13.035 -2.727 -18.832 1.00 0.00 C ATOM 1129 CG TYR A 73 -12.578 -2.673 -17.372 1.00 0.00 C ATOM 1130 CD1 TYR A 73 -12.906 -3.688 -16.494 1.00 0.00 C ATOM 1131 CD2 TYR A 73 -11.832 -1.608 -16.913 1.00 0.00 C ATOM 1132 CE1 TYR A 73 -12.492 -3.638 -15.178 1.00 0.00 C ATOM 1133 CE2 TYR A 73 -11.418 -1.557 -15.598 1.00 0.00 C ATOM 1134 CZ TYR A 73 -11.745 -2.572 -14.721 1.00 0.00 C ATOM 1135 OH TYR A 73 -11.328 -2.523 -13.406 1.00 0.00 O ATOM 0 H TYR A 73 -14.249 -2.444 -20.999 1.00 0.00 H new ATOM 0 HA TYR A 73 -15.076 -3.489 -18.640 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.741 -3.675 -19.282 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.550 -1.938 -19.406 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.491 -4.527 -16.840 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.570 -0.807 -17.589 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -12.755 -4.438 -14.502 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -10.834 -0.717 -15.252 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.815 -1.816 -12.934 1.00 0.00 H new ATOM 1145 N ARG A 74 -14.346 -0.368 -17.934 1.00 0.00 N ATOM 1146 CA ARG A 74 -14.691 0.722 -16.972 1.00 0.00 C ATOM 1147 C ARG A 74 -16.191 1.035 -16.952 1.00 0.00 C ATOM 1148 O ARG A 74 -16.828 0.955 -15.921 1.00 0.00 O ATOM 1149 CB ARG A 74 -13.936 1.992 -17.397 1.00 0.00 C ATOM 1150 CG ARG A 74 -13.867 2.958 -16.207 1.00 0.00 C ATOM 1151 CD ARG A 74 -14.291 4.360 -16.661 1.00 0.00 C ATOM 1152 NE ARG A 74 -15.776 4.471 -16.572 1.00 0.00 N ATOM 1153 CZ ARG A 74 -16.304 5.314 -15.726 1.00 0.00 C ATOM 1154 NH1 ARG A 74 -16.354 4.991 -14.461 1.00 0.00 N ATOM 1155 NH2 ARG A 74 -16.767 6.448 -16.172 1.00 0.00 N ATOM 0 H ARG A 74 -13.609 -0.143 -18.602 1.00 0.00 H new ATOM 0 HA ARG A 74 -14.408 0.391 -15.973 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -12.931 1.737 -17.733 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.442 2.467 -18.238 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -14.519 2.611 -15.405 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.854 2.985 -15.805 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -13.819 5.117 -16.035 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -13.961 4.540 -17.684 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.373 3.895 -17.166 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.984 4.093 -14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -16.763 5.637 -13.786 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -16.713 6.665 -17.167 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -17.183 7.119 -15.526 1.00 0.00 H new ATOM 1169 N ILE A 75 -16.721 1.384 -18.084 1.00 0.00 N ATOM 1170 CA ILE A 75 -18.175 1.710 -18.149 1.00 0.00 C ATOM 1171 C ILE A 75 -19.044 0.647 -17.473 1.00 0.00 C ATOM 1172 O ILE A 75 -19.817 0.946 -16.582 1.00 0.00 O ATOM 1173 CB ILE A 75 -18.587 1.799 -19.619 1.00 0.00 C ATOM 1174 CG1 ILE A 75 -17.987 3.048 -20.256 1.00 0.00 C ATOM 1175 CG2 ILE A 75 -20.117 1.905 -19.683 1.00 0.00 C ATOM 1176 CD1 ILE A 75 -18.187 2.981 -21.776 1.00 0.00 C ATOM 0 H ILE A 75 -16.217 1.459 -18.967 1.00 0.00 H new ATOM 0 HA ILE A 75 -18.327 2.653 -17.624 1.00 0.00 H new ATOM 0 HB ILE A 75 -18.232 0.917 -20.152 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -18.463 3.942 -19.853 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -16.925 3.118 -20.019 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -20.434 1.970 -20.724 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -20.562 1.023 -19.222 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -20.443 2.797 -19.148 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -17.760 3.871 -22.239 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -17.691 2.094 -22.170 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.252 2.930 -22.001 1.00 0.00 H new ATOM 1188 N ILE A 76 -18.903 -0.567 -17.910 1.00 0.00 N ATOM 1189 CA ILE A 76 -19.709 -1.668 -17.315 1.00 0.00 C ATOM 1190 C ILE A 76 -19.069 -2.225 -16.039 1.00 0.00 C ATOM 1191 O ILE A 76 -19.669 -3.022 -15.349 1.00 0.00 O ATOM 1192 CB ILE A 76 -19.815 -2.787 -18.359 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -20.014 -2.156 -19.742 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -21.041 -3.665 -18.017 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -20.791 -3.110 -20.655 1.00 0.00 C ATOM 0 H ILE A 76 -18.265 -0.848 -18.654 1.00 0.00 H new ATOM 0 HA ILE A 76 -20.690 -1.279 -17.042 1.00 0.00 H new ATOM 0 HB ILE A 76 -18.910 -3.395 -18.359 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -20.554 -1.214 -19.645 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -19.046 -1.924 -20.186 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -21.131 -4.466 -18.751 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -20.915 -4.095 -17.023 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -21.943 -3.053 -18.036 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -20.925 -2.649 -21.634 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -20.235 -4.041 -20.766 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -21.767 -3.320 -20.216 1.00 0.00 H new ATOM 1207 N TYR A 77 -17.864 -1.796 -15.744 1.00 0.00 N ATOM 1208 CA TYR A 77 -17.186 -2.308 -14.509 1.00 0.00 C ATOM 1209 C TYR A 77 -18.164 -2.431 -13.345 1.00 0.00 C ATOM 1210 O TYR A 77 -17.998 -3.270 -12.481 1.00 0.00 O ATOM 1211 CB TYR A 77 -16.061 -1.335 -14.090 1.00 0.00 C ATOM 1212 CG TYR A 77 -15.420 -1.824 -12.769 1.00 0.00 C ATOM 1213 CD1 TYR A 77 -15.084 -3.160 -12.591 1.00 0.00 C ATOM 1214 CD2 TYR A 77 -15.151 -0.935 -11.746 1.00 0.00 C ATOM 1215 CE1 TYR A 77 -14.501 -3.583 -11.424 1.00 0.00 C ATOM 1216 CE2 TYR A 77 -14.561 -1.370 -10.578 1.00 0.00 C ATOM 1217 CZ TYR A 77 -14.232 -2.697 -10.413 1.00 0.00 C ATOM 1218 OH TYR A 77 -13.625 -3.127 -9.263 1.00 0.00 O ATOM 0 H TYR A 77 -17.328 -1.125 -16.294 1.00 0.00 H new ATOM 0 HA TYR A 77 -16.782 -3.293 -14.742 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -15.305 -1.277 -14.873 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -16.464 -0.330 -13.961 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -15.284 -3.872 -13.378 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -15.405 0.108 -11.862 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.251 -4.626 -11.300 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -14.355 -0.665 -9.787 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.770 -2.662 -9.151 1.00 0.00 H new ATOM 1228 N SER A 78 -19.164 -1.591 -13.334 1.00 0.00 N ATOM 1229 CA SER A 78 -20.151 -1.658 -12.230 1.00 0.00 C ATOM 1230 C SER A 78 -20.895 -2.979 -12.254 1.00 0.00 C ATOM 1231 O SER A 78 -20.785 -3.772 -11.343 1.00 0.00 O ATOM 1232 CB SER A 78 -21.163 -0.514 -12.401 1.00 0.00 C ATOM 1233 OG SER A 78 -21.330 -0.405 -13.806 1.00 0.00 O ATOM 0 H SER A 78 -19.335 -0.871 -14.035 1.00 0.00 H new ATOM 0 HA SER A 78 -19.624 -1.569 -11.280 1.00 0.00 H new ATOM 0 HB2 SER A 78 -22.107 -0.739 -11.904 1.00 0.00 H new ATOM 0 HB3 SER A 78 -20.790 0.415 -11.971 1.00 0.00 H new ATOM 0 HG SER A 78 -21.970 0.310 -14.005 1.00 0.00 H new ATOM 1239 N ASN A 79 -21.637 -3.196 -13.295 1.00 0.00 N ATOM 1240 CA ASN A 79 -22.390 -4.466 -13.384 1.00 0.00 C ATOM 1241 C ASN A 79 -21.436 -5.646 -13.374 1.00 0.00 C ATOM 1242 O ASN A 79 -21.796 -6.735 -12.974 1.00 0.00 O ATOM 1243 CB ASN A 79 -23.187 -4.477 -14.697 1.00 0.00 C ATOM 1244 CG ASN A 79 -24.079 -5.717 -14.726 1.00 0.00 C ATOM 1245 OD1 ASN A 79 -24.306 -6.352 -13.718 1.00 0.00 O ATOM 1246 ND2 ASN A 79 -24.604 -6.097 -15.857 1.00 0.00 N ATOM 0 H ASN A 79 -21.754 -2.556 -14.081 1.00 0.00 H new ATOM 0 HA ASN A 79 -23.061 -4.546 -12.529 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.793 -3.575 -14.777 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.508 -4.481 -15.550 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.201 -6.923 -15.890 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -24.418 -5.568 -16.709 1.00 0.00 H new ATOM 1253 N VAL A 80 -20.233 -5.415 -13.820 1.00 0.00 N ATOM 1254 CA VAL A 80 -19.249 -6.518 -13.839 1.00 0.00 C ATOM 1255 C VAL A 80 -18.978 -7.012 -12.429 1.00 0.00 C ATOM 1256 O VAL A 80 -18.823 -8.195 -12.206 1.00 0.00 O ATOM 1257 CB VAL A 80 -17.934 -5.994 -14.432 1.00 0.00 C ATOM 1258 CG1 VAL A 80 -16.864 -7.082 -14.322 1.00 0.00 C ATOM 1259 CG2 VAL A 80 -18.146 -5.650 -15.902 1.00 0.00 C ATOM 0 H VAL A 80 -19.896 -4.517 -14.168 1.00 0.00 H new ATOM 0 HA VAL A 80 -19.647 -7.338 -14.436 1.00 0.00 H new ATOM 0 HB VAL A 80 -17.615 -5.105 -13.888 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.927 -6.715 -14.742 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.715 -7.341 -13.274 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.186 -7.966 -14.872 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -17.214 -5.277 -16.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -18.460 -6.543 -16.443 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -18.916 -4.884 -15.989 1.00 0.00 H new ATOM 1269 N ILE A 81 -18.929 -6.098 -11.492 1.00 0.00 N ATOM 1270 CA ILE A 81 -18.667 -6.521 -10.101 1.00 0.00 C ATOM 1271 C ILE A 81 -19.911 -7.135 -9.488 1.00 0.00 C ATOM 1272 O ILE A 81 -19.847 -7.808 -8.478 1.00 0.00 O ATOM 1273 CB ILE A 81 -18.266 -5.307 -9.289 1.00 0.00 C ATOM 1274 CG1 ILE A 81 -17.096 -4.621 -9.977 1.00 0.00 C ATOM 1275 CG2 ILE A 81 -17.806 -5.780 -7.896 1.00 0.00 C ATOM 1276 CD1 ILE A 81 -17.295 -3.124 -9.922 1.00 0.00 C ATOM 0 H ILE A 81 -19.058 -5.096 -11.635 1.00 0.00 H new ATOM 0 HA ILE A 81 -17.870 -7.264 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 81 -19.107 -4.619 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -16.161 -4.894 -9.488 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -17.023 -4.952 -11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.513 -4.918 -7.297 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -18.624 -6.304 -7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -16.955 -6.453 -8.003 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -16.459 -2.627 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -18.223 -2.861 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -17.347 -2.802 -8.882 1.00 0.00 H new ATOM 1288 N SER A 82 -21.030 -6.893 -10.118 1.00 0.00 N ATOM 1289 CA SER A 82 -22.300 -7.450 -9.596 1.00 0.00 C ATOM 1290 C SER A 82 -22.660 -8.774 -10.266 1.00 0.00 C ATOM 1291 O SER A 82 -22.592 -9.821 -9.652 1.00 0.00 O ATOM 1292 CB SER A 82 -23.415 -6.443 -9.892 1.00 0.00 C ATOM 1293 OG SER A 82 -23.220 -5.420 -8.931 1.00 0.00 O ATOM 0 H SER A 82 -21.114 -6.335 -10.968 1.00 0.00 H new ATOM 0 HA SER A 82 -22.184 -7.631 -8.527 1.00 0.00 H new ATOM 0 HB2 SER A 82 -23.342 -6.055 -10.908 1.00 0.00 H new ATOM 0 HB3 SER A 82 -24.400 -6.899 -9.795 1.00 0.00 H new ATOM 0 HG SER A 82 -23.899 -4.724 -9.052 1.00 0.00 H new ATOM 1299 N LYS A 83 -23.032 -8.703 -11.516 1.00 0.00 N ATOM 1300 CA LYS A 83 -23.400 -9.946 -12.238 1.00 0.00 C ATOM 1301 C LYS A 83 -22.158 -10.719 -12.679 1.00 0.00 C ATOM 1302 O LYS A 83 -21.207 -10.836 -11.930 1.00 0.00 O ATOM 1303 CB LYS A 83 -24.232 -9.554 -13.475 1.00 0.00 C ATOM 1304 CG LYS A 83 -25.592 -9.017 -13.015 1.00 0.00 C ATOM 1305 CD LYS A 83 -26.524 -8.916 -14.227 1.00 0.00 C ATOM 1306 CE LYS A 83 -27.929 -8.541 -13.751 1.00 0.00 C ATOM 1307 NZ LYS A 83 -28.014 -7.080 -13.477 1.00 0.00 N ATOM 0 H LYS A 83 -23.095 -7.843 -12.061 1.00 0.00 H new ATOM 0 HA LYS A 83 -23.974 -10.591 -11.573 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -23.706 -8.797 -14.057 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -24.369 -10.418 -14.125 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -26.023 -9.678 -12.263 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -25.473 -8.039 -12.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -26.152 -8.167 -14.926 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -26.549 -9.866 -14.761 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -28.662 -8.818 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -28.175 -9.101 -12.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -28.974 -6.842 -13.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -27.328 -6.825 -12.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -27.800 -6.551 -14.346 1.00 0.00 H new ATOM 1321 N ASN A 84 -22.192 -11.235 -13.893 1.00 0.00 N ATOM 1322 CA ASN A 84 -21.026 -12.004 -14.405 1.00 0.00 C ATOM 1323 C ASN A 84 -20.485 -11.399 -15.694 1.00 0.00 C ATOM 1324 O ASN A 84 -20.111 -10.249 -15.730 1.00 0.00 O ATOM 1325 CB ASN A 84 -21.493 -13.442 -14.692 1.00 0.00 C ATOM 1326 CG ASN A 84 -20.283 -14.303 -15.070 1.00 0.00 C ATOM 1327 OD1 ASN A 84 -20.230 -14.883 -16.135 1.00 0.00 O ATOM 1328 ND2 ASN A 84 -19.293 -14.414 -14.225 1.00 0.00 N ATOM 0 H ASN A 84 -22.976 -11.152 -14.540 1.00 0.00 H new ATOM 0 HA ASN A 84 -20.232 -11.982 -13.658 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -21.989 -13.857 -13.815 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -22.223 -13.445 -15.502 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -18.482 -14.985 -14.462 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -19.331 -13.929 -13.328 1.00 0.00 H new ATOM 1335 N ASN A 85 -20.466 -12.191 -16.731 1.00 0.00 N ATOM 1336 CA ASN A 85 -19.953 -11.698 -18.038 1.00 0.00 C ATOM 1337 C ASN A 85 -20.998 -10.818 -18.773 1.00 0.00 C ATOM 1338 O ASN A 85 -22.067 -11.287 -19.109 1.00 0.00 O ATOM 1339 CB ASN A 85 -19.666 -12.930 -18.906 1.00 0.00 C ATOM 1340 CG ASN A 85 -20.956 -13.742 -19.073 1.00 0.00 C ATOM 1341 OD1 ASN A 85 -21.073 -14.561 -19.963 1.00 0.00 O ATOM 1342 ND2 ASN A 85 -21.945 -13.547 -18.240 1.00 0.00 N ATOM 0 H ASN A 85 -20.785 -13.160 -16.728 1.00 0.00 H new ATOM 0 HA ASN A 85 -19.064 -11.091 -17.866 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -19.287 -12.622 -19.881 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -18.893 -13.544 -18.443 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -22.808 -14.081 -18.339 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -21.853 -12.861 -17.491 1.00 0.00 H new ATOM 1349 N PRO A 86 -20.663 -9.543 -19.014 1.00 0.00 N ATOM 1350 CA PRO A 86 -21.581 -8.632 -19.703 1.00 0.00 C ATOM 1351 C PRO A 86 -21.675 -8.956 -21.194 1.00 0.00 C ATOM 1352 O PRO A 86 -22.536 -8.451 -21.886 1.00 0.00 O ATOM 1353 CB PRO A 86 -20.953 -7.235 -19.531 1.00 0.00 C ATOM 1354 CG PRO A 86 -19.527 -7.442 -18.942 1.00 0.00 C ATOM 1355 CD PRO A 86 -19.389 -8.934 -18.595 1.00 0.00 C ATOM 0 HA PRO A 86 -22.589 -8.707 -19.295 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -20.903 -6.715 -20.488 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -21.559 -6.620 -18.866 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -18.766 -7.143 -19.663 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -19.385 -6.826 -18.054 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -18.545 -9.384 -19.118 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -19.215 -9.077 -17.528 1.00 0.00 H new ATOM 1363 N ASP A 87 -20.780 -9.791 -21.656 1.00 0.00 N ATOM 1364 CA ASP A 87 -20.789 -10.168 -23.095 1.00 0.00 C ATOM 1365 C ASP A 87 -20.516 -8.956 -23.976 1.00 0.00 C ATOM 1366 O ASP A 87 -21.235 -8.701 -24.919 1.00 0.00 O ATOM 1367 CB ASP A 87 -22.169 -10.746 -23.454 1.00 0.00 C ATOM 1368 CG ASP A 87 -22.688 -11.586 -22.286 1.00 0.00 C ATOM 1369 OD1 ASP A 87 -21.858 -12.251 -21.687 1.00 0.00 O ATOM 1370 OD2 ASP A 87 -23.885 -11.515 -22.059 1.00 0.00 O ATOM 0 H ASP A 87 -20.046 -10.226 -21.097 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.007 -10.908 -23.266 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -22.867 -9.939 -23.674 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -22.096 -11.359 -24.353 1.00 0.00 H new ATOM 1375 N LEU A 88 -19.484 -8.222 -23.635 1.00 0.00 N ATOM 1376 CA LEU A 88 -19.128 -7.007 -24.438 1.00 0.00 C ATOM 1377 C LEU A 88 -19.366 -7.231 -25.934 1.00 0.00 C ATOM 1378 O LEU A 88 -19.737 -6.321 -26.649 1.00 0.00 O ATOM 1379 CB LEU A 88 -17.627 -6.707 -24.234 1.00 0.00 C ATOM 1380 CG LEU A 88 -17.316 -6.606 -22.737 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -18.441 -5.839 -22.040 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -17.215 -8.016 -22.138 1.00 0.00 C ATOM 0 H LEU A 88 -18.874 -8.410 -22.839 1.00 0.00 H new ATOM 0 HA LEU A 88 -19.755 -6.181 -24.103 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -17.025 -7.494 -24.687 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -17.362 -5.775 -24.733 1.00 0.00 H new ATOM 0 HG LEU A 88 -16.370 -6.083 -22.595 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -18.225 -5.764 -20.974 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -18.517 -4.838 -22.466 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -19.384 -6.367 -22.183 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -16.994 -7.944 -21.073 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -18.161 -8.539 -22.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.418 -8.567 -22.638 1.00 0.00 H new ATOM 1579 N PHE A 101 -36.940 1.655 -34.290 1.00 0.00 N ATOM 1580 CA PHE A 101 -37.385 1.028 -33.014 1.00 0.00 C ATOM 1581 C PHE A 101 -36.998 1.869 -31.796 1.00 0.00 C ATOM 1582 O PHE A 101 -37.760 1.986 -30.857 1.00 0.00 O ATOM 1583 CB PHE A 101 -36.718 -0.366 -32.909 1.00 0.00 C ATOM 1584 CG PHE A 101 -36.369 -0.677 -31.448 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -35.258 -0.102 -30.857 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -37.157 -1.538 -30.702 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -34.940 -0.382 -29.546 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -36.835 -1.815 -29.390 1.00 0.00 C ATOM 1589 CZ PHE A 101 -35.728 -1.238 -28.813 1.00 0.00 C ATOM 0 HA PHE A 101 -38.472 0.950 -33.022 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -37.390 -1.129 -33.300 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -35.816 -0.392 -33.520 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -34.635 0.571 -31.428 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -38.027 -1.994 -31.150 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -34.071 0.071 -29.093 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -37.454 -2.487 -28.814 1.00 0.00 H new ATOM 0 HZ PHE A 101 -35.478 -1.457 -27.785 1.00 0.00 H new ATOM 1599 N LEU A 102 -35.832 2.439 -31.829 1.00 0.00 N ATOM 1600 CA LEU A 102 -35.397 3.267 -30.676 1.00 0.00 C ATOM 1601 C LEU A 102 -36.206 4.557 -30.571 1.00 0.00 C ATOM 1602 O LEU A 102 -36.099 5.279 -29.600 1.00 0.00 O ATOM 1603 CB LEU A 102 -33.927 3.625 -30.869 1.00 0.00 C ATOM 1604 CG LEU A 102 -33.821 4.640 -31.988 1.00 0.00 C ATOM 1605 CD1 LEU A 102 -33.540 6.019 -31.390 1.00 0.00 C ATOM 1606 CD2 LEU A 102 -32.674 4.249 -32.921 1.00 0.00 C ATOM 0 H LEU A 102 -35.165 2.369 -32.597 1.00 0.00 H new ATOM 0 HA LEU A 102 -35.551 2.695 -29.761 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -33.513 4.033 -29.947 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -33.349 2.733 -31.111 1.00 0.00 H new ATOM 0 HG LEU A 102 -34.755 4.666 -32.550 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -33.463 6.754 -32.191 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -34.353 6.297 -30.719 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -32.604 5.990 -30.833 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -32.596 4.978 -33.727 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -31.740 4.227 -32.360 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -32.868 3.262 -33.342 1.00 0.00 H new ATOM 1618 N ALA A 103 -36.998 4.828 -31.571 1.00 0.00 N ATOM 1619 CA ALA A 103 -37.817 6.071 -31.536 1.00 0.00 C ATOM 1620 C ALA A 103 -39.068 5.876 -30.693 1.00 0.00 C ATOM 1621 O ALA A 103 -39.182 6.417 -29.611 1.00 0.00 O ATOM 1622 CB ALA A 103 -38.238 6.411 -32.973 1.00 0.00 C ATOM 0 H ALA A 103 -37.113 4.249 -32.403 1.00 0.00 H new ATOM 0 HA ALA A 103 -37.225 6.874 -31.097 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -38.840 7.320 -32.970 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -37.350 6.566 -33.585 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -38.824 5.589 -33.385 1.00 0.00 H new ATOM 1628 N THR A 104 -39.987 5.109 -31.201 1.00 0.00 N ATOM 1629 CA THR A 104 -41.233 4.871 -30.439 1.00 0.00 C ATOM 1630 C THR A 104 -41.801 3.514 -30.753 1.00 0.00 C ATOM 1631 O THR A 104 -42.534 3.340 -31.706 1.00 0.00 O ATOM 1632 CB THR A 104 -42.258 5.911 -30.814 1.00 0.00 C ATOM 1633 OG1 THR A 104 -42.238 5.970 -32.227 1.00 0.00 O ATOM 1634 CG2 THR A 104 -41.816 7.308 -30.355 1.00 0.00 C ATOM 0 H THR A 104 -39.928 4.641 -32.105 1.00 0.00 H new ATOM 0 HA THR A 104 -40.997 4.927 -29.376 1.00 0.00 H new ATOM 0 HB THR A 104 -43.221 5.654 -30.372 1.00 0.00 H new ATOM 0 HG1 THR A 104 -42.428 5.082 -32.594 1.00 0.00 H new ATOM 0 HG21 THR A 104 -42.573 8.040 -30.638 1.00 0.00 H new ATOM 0 HG22 THR A 104 -41.693 7.313 -29.272 1.00 0.00 H new ATOM 0 HG23 THR A 104 -40.869 7.564 -30.829 1.00 0.00 H new ATOM 1642 N CYS A 105 -41.450 2.586 -29.944 1.00 0.00 N ATOM 1643 CA CYS A 105 -41.939 1.204 -30.139 1.00 0.00 C ATOM 1644 C CYS A 105 -43.137 0.906 -29.239 1.00 0.00 C ATOM 1645 O CYS A 105 -43.783 -0.110 -29.384 1.00 0.00 O ATOM 1646 CB CYS A 105 -40.794 0.244 -29.775 1.00 0.00 C ATOM 1647 SG CYS A 105 -40.271 0.189 -28.044 1.00 0.00 S ATOM 0 H CYS A 105 -40.836 2.718 -29.140 1.00 0.00 H new ATOM 0 HA CYS A 105 -42.254 1.079 -31.175 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -41.092 -0.762 -30.069 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -39.927 0.509 -30.380 1.00 0.00 H new ATOM 0 HG CYS A 105 -39.303 -0.668 -27.910 1.00 0.00 H new ATOM 1653 N ASP A 106 -43.415 1.802 -28.332 1.00 0.00 N ATOM 1654 CA ASP A 106 -44.565 1.582 -27.412 1.00 0.00 C ATOM 1655 C ASP A 106 -45.882 1.385 -28.138 1.00 0.00 C ATOM 1656 O ASP A 106 -46.407 0.290 -28.179 1.00 0.00 O ATOM 1657 CB ASP A 106 -44.693 2.810 -26.501 1.00 0.00 C ATOM 1658 CG ASP A 106 -43.708 2.686 -25.339 1.00 0.00 C ATOM 1659 OD1 ASP A 106 -42.701 2.031 -25.551 1.00 0.00 O ATOM 1660 OD2 ASP A 106 -44.014 3.255 -24.304 1.00 0.00 O ATOM 0 H ASP A 106 -42.900 2.671 -28.189 1.00 0.00 H new ATOM 0 HA ASP A 106 -44.365 0.669 -26.851 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -44.491 3.719 -27.067 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -45.712 2.890 -26.122 1.00 0.00 H new ATOM 1665 N ALA A 107 -46.397 2.429 -28.695 1.00 0.00 N ATOM 1666 CA ALA A 107 -47.680 2.290 -29.411 1.00 0.00 C ATOM 1667 C ALA A 107 -47.529 1.400 -30.616 1.00 0.00 C ATOM 1668 O ALA A 107 -48.502 1.034 -31.235 1.00 0.00 O ATOM 1669 CB ALA A 107 -48.157 3.676 -29.861 1.00 0.00 C ATOM 0 H ALA A 107 -45.992 3.365 -28.687 1.00 0.00 H new ATOM 0 HA ALA A 107 -48.409 1.840 -28.737 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -49.105 3.580 -30.391 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -48.292 4.315 -28.989 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -47.414 4.119 -30.524 1.00 0.00 H new ATOM 1675 N LYS A 108 -46.317 1.061 -30.934 1.00 0.00 N ATOM 1676 CA LYS A 108 -46.108 0.184 -32.112 1.00 0.00 C ATOM 1677 C LYS A 108 -46.010 -1.233 -31.652 1.00 0.00 C ATOM 1678 O LYS A 108 -46.094 -2.158 -32.436 1.00 0.00 O ATOM 1679 CB LYS A 108 -44.805 0.580 -32.819 1.00 0.00 C ATOM 1680 CG LYS A 108 -44.753 -0.100 -34.193 1.00 0.00 C ATOM 1681 CD LYS A 108 -43.705 0.603 -35.066 1.00 0.00 C ATOM 1682 CE LYS A 108 -42.599 -0.393 -35.425 1.00 0.00 C ATOM 1683 NZ LYS A 108 -41.487 0.299 -36.137 1.00 0.00 N ATOM 0 H LYS A 108 -45.473 1.348 -30.438 1.00 0.00 H new ATOM 0 HA LYS A 108 -46.943 0.292 -32.804 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -44.753 1.663 -32.933 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -43.946 0.281 -32.219 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -44.501 -1.155 -34.081 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -45.731 -0.055 -34.671 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -44.170 0.991 -35.972 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -43.284 1.456 -34.534 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -42.220 -0.867 -34.520 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -43.005 -1.185 -36.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -40.745 -0.390 -36.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -41.850 0.731 -37.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -41.090 1.039 -35.524 1.00 0.00 H new ATOM 1697 N ASP A 109 -45.833 -1.393 -30.374 1.00 0.00 N ATOM 1698 CA ASP A 109 -45.733 -2.752 -29.843 1.00 0.00 C ATOM 1699 C ASP A 109 -47.119 -3.285 -29.759 1.00 0.00 C ATOM 1700 O ASP A 109 -47.360 -4.470 -29.876 1.00 0.00 O ATOM 1701 CB ASP A 109 -45.107 -2.712 -28.443 1.00 0.00 C ATOM 1702 CG ASP A 109 -43.589 -2.570 -28.567 1.00 0.00 C ATOM 1703 OD1 ASP A 109 -43.130 -2.607 -29.697 1.00 0.00 O ATOM 1704 OD2 ASP A 109 -42.973 -2.430 -27.523 1.00 0.00 O ATOM 0 H ASP A 109 -45.755 -0.642 -29.689 1.00 0.00 H new ATOM 0 HA ASP A 109 -45.110 -3.380 -30.480 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -45.516 -1.877 -27.874 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -45.354 -3.622 -27.896 1.00 0.00 H new ATOM 1709 N LEU A 110 -48.020 -2.377 -29.554 1.00 0.00 N ATOM 1710 CA LEU A 110 -49.417 -2.753 -29.455 1.00 0.00 C ATOM 1711 C LEU A 110 -50.289 -1.549 -29.713 1.00 0.00 C ATOM 1712 O LEU A 110 -50.748 -0.901 -28.794 1.00 0.00 O ATOM 1713 CB LEU A 110 -49.688 -3.251 -28.032 1.00 0.00 C ATOM 1714 CG LEU A 110 -49.104 -2.245 -27.040 1.00 0.00 C ATOM 1715 CD1 LEU A 110 -50.178 -1.855 -26.021 1.00 0.00 C ATOM 1716 CD2 LEU A 110 -47.926 -2.889 -26.306 1.00 0.00 C ATOM 0 H LEU A 110 -47.830 -1.380 -29.451 1.00 0.00 H new ATOM 0 HA LEU A 110 -49.638 -3.530 -30.187 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -50.760 -3.363 -27.869 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -49.238 -4.233 -27.883 1.00 0.00 H new ATOM 0 HG LEU A 110 -48.766 -1.357 -27.575 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -49.764 -1.138 -25.312 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -51.025 -1.406 -26.539 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -50.511 -2.744 -25.485 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -47.505 -2.176 -25.597 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -48.271 -3.773 -25.770 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -47.161 -3.177 -27.027 1.00 0.00 H new ATOM 1728 N ALA A 111 -50.507 -1.261 -30.966 1.00 0.00 N ATOM 1729 CA ALA A 111 -51.359 -0.098 -31.286 1.00 0.00 C ATOM 1730 C ALA A 111 -52.630 -0.131 -30.432 1.00 0.00 C ATOM 1731 O ALA A 111 -52.982 0.850 -29.808 1.00 0.00 O ATOM 1732 CB ALA A 111 -51.734 -0.137 -32.778 1.00 0.00 C ATOM 0 H ALA A 111 -50.136 -1.775 -31.765 1.00 0.00 H new ATOM 0 HA ALA A 111 -50.812 0.820 -31.071 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -52.363 0.720 -33.018 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -50.827 -0.102 -33.382 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -52.278 -1.057 -32.993 1.00 0.00 H new ATOM 1738 N PRO A 112 -53.302 -1.278 -30.412 1.00 0.00 N ATOM 1739 CA PRO A 112 -54.525 -1.425 -29.630 1.00 0.00 C ATOM 1740 C PRO A 112 -54.208 -1.453 -28.136 1.00 0.00 C ATOM 1741 O PRO A 112 -53.057 -1.402 -27.747 1.00 0.00 O ATOM 1742 CB PRO A 112 -55.107 -2.792 -30.055 1.00 0.00 C ATOM 1743 CG PRO A 112 -54.064 -3.470 -30.997 1.00 0.00 C ATOM 1744 CD PRO A 112 -52.902 -2.478 -31.178 1.00 0.00 C ATOM 0 HA PRO A 112 -55.214 -0.598 -29.802 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -55.298 -3.416 -29.182 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -56.060 -2.661 -30.568 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -53.708 -4.406 -30.566 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -54.515 -3.714 -31.959 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -51.967 -2.893 -30.802 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -52.746 -2.241 -32.230 1.00 0.00 H new ATOM 1752 N ALA A 113 -55.228 -1.537 -27.324 1.00 0.00 N ATOM 1753 CA ALA A 113 -54.988 -1.571 -25.857 1.00 0.00 C ATOM 1754 C ALA A 113 -56.300 -1.509 -25.062 1.00 0.00 C ATOM 1755 O ALA A 113 -56.535 -2.326 -24.194 1.00 0.00 O ATOM 1756 CB ALA A 113 -54.097 -0.377 -25.462 1.00 0.00 C ATOM 0 H ALA A 113 -56.206 -1.583 -27.611 1.00 0.00 H new ATOM 0 HA ALA A 113 -54.495 -2.514 -25.618 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -53.918 -0.397 -24.387 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -53.146 -0.443 -25.990 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -54.597 0.554 -25.729 1.00 0.00 H new