USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 776 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.34) USER MOD Set 2.1: A 40 CYS SG : rot -117:sc= -6.06! USER MOD Set 2.2: A 59 TYR OH : rot 50:sc= -1.18! USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.00783 USER MOD Single : A 16 GLN : amide:sc= -15.6! C(o=-16!,f=-19!) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0286 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.17 X(o=-0.17,f=-0.18) USER MOD Single : A 35 CYS SG : rot -16:sc= -3.02! USER MOD Single : A 36 MET CE :methyl -168:sc= -1.94! (180deg=-2.36!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 154:sc= -0.638 (180deg=-2.05!) USER MOD Single : A 43 TYR OH : rot 55:sc= 0.933 USER MOD Single : A 46 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-0.16) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -154:sc= -0.498 (180deg=-2.48!) USER MOD Single : A 51 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.21) USER MOD Single : A 53 ASN : amide:sc= -0.836 K(o=-0.84,f=-1.7) USER MOD Single : A 54 SER OG : rot -160:sc= -1.86 USER MOD Single : A 56 SER OG : rot -22:sc= 0.734 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 75 SER OG : rot 8:sc= 0.186 USER MOD Single : A 76 CYS SG : rot 24:sc= -3.16! USER MOD Single : A 83 THR OG1 : rot 149:sc= -1.74 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -5.88! C(o=-5.9!,f=-10!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -113:sc= -0.958! (180deg=-4.99!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0141 X(o=-0.014,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.377 7.201 3.231 1.00 0.00 N ATOM 121 CA THR A 11 4.034 7.142 2.680 1.00 0.00 C ATOM 122 C THR A 11 2.994 7.242 3.799 1.00 0.00 C ATOM 123 O THR A 11 3.042 6.482 4.765 1.00 0.00 O ATOM 124 CB THR A 11 3.917 5.860 1.855 1.00 0.00 C ATOM 125 OG1 THR A 11 4.556 6.181 0.622 1.00 0.00 O ATOM 126 CG2 THR A 11 2.473 5.550 1.456 1.00 0.00 C ATOM 0 HA THR A 11 3.839 7.988 2.021 1.00 0.00 H new ATOM 0 HB THR A 11 4.324 5.024 2.424 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.332 6.754 0.795 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.446 4.630 0.872 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.866 5.428 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.076 6.371 0.858 1.00 0.00 H new ATOM 134 N ILE A 12 2.080 8.185 3.631 1.00 0.00 N ATOM 135 CA ILE A 12 1.030 8.394 4.614 1.00 0.00 C ATOM 136 C ILE A 12 -0.190 7.552 4.237 1.00 0.00 C ATOM 137 O ILE A 12 -0.708 7.664 3.127 1.00 0.00 O ATOM 138 CB ILE A 12 0.726 9.886 4.764 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.949 10.646 5.280 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.503 10.108 5.648 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.875 12.126 4.899 1.00 0.00 C ATOM 0 H ILE A 12 2.044 8.814 2.829 1.00 0.00 H new ATOM 0 HA ILE A 12 1.357 8.059 5.598 1.00 0.00 H new ATOM 0 HB ILE A 12 0.491 10.288 3.778 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.012 10.548 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.856 10.205 4.867 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.698 11.177 5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.367 9.618 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.321 9.687 6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.756 12.644 5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.837 12.221 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.979 12.569 5.334 1.00 0.00 H new ATOM 153 N LEU A 13 -0.615 6.727 5.183 1.00 0.00 N ATOM 154 CA LEU A 13 -1.765 5.866 4.965 1.00 0.00 C ATOM 155 C LEU A 13 -2.852 6.205 5.986 1.00 0.00 C ATOM 156 O LEU A 13 -2.609 6.169 7.191 1.00 0.00 O ATOM 157 CB LEU A 13 -1.344 4.395 4.981 1.00 0.00 C ATOM 158 CG LEU A 13 -2.406 3.388 4.535 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.269 2.942 5.717 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.250 3.953 3.390 1.00 0.00 C ATOM 0 H LEU A 13 -0.183 6.637 6.103 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.190 6.042 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.471 4.281 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.031 4.138 5.993 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.898 2.502 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.016 2.227 5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.638 2.473 6.472 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.769 3.808 6.150 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.997 3.218 3.092 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.749 4.864 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.606 4.180 2.541 1.00 0.00 H new ATOM 172 N LEU A 14 -4.027 6.528 5.466 1.00 0.00 N ATOM 173 CA LEU A 14 -5.152 6.874 6.318 1.00 0.00 C ATOM 174 C LEU A 14 -6.337 5.964 5.986 1.00 0.00 C ATOM 175 O LEU A 14 -6.210 5.043 5.180 1.00 0.00 O ATOM 176 CB LEU A 14 -5.472 8.366 6.204 1.00 0.00 C ATOM 177 CG LEU A 14 -4.890 9.085 4.985 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.363 9.143 5.061 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.375 8.442 3.685 1.00 0.00 C ATOM 0 H LEU A 14 -4.224 6.557 4.466 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.902 6.704 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.555 8.485 6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.110 8.865 7.103 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.252 10.113 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.974 9.659 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.064 9.681 5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.962 8.130 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.946 8.972 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.062 7.398 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.463 8.496 3.636 1.00 0.00 H new ATOM 191 N VAL A 15 -7.461 6.253 6.624 1.00 0.00 N ATOM 192 CA VAL A 15 -8.667 5.472 6.406 1.00 0.00 C ATOM 193 C VAL A 15 -9.892 6.345 6.686 1.00 0.00 C ATOM 194 O VAL A 15 -9.908 7.107 7.651 1.00 0.00 O ATOM 195 CB VAL A 15 -8.630 4.203 7.260 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.008 3.900 7.852 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.107 3.014 6.452 1.00 0.00 C ATOM 0 H VAL A 15 -7.562 7.017 7.292 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.729 5.147 5.367 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.941 4.375 8.087 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.954 2.993 8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.326 4.733 8.478 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.727 3.757 7.045 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.091 2.125 7.082 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.759 2.840 5.596 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.098 3.228 6.101 1.00 0.00 H new ATOM 207 N GLN A 16 -10.889 6.204 5.824 1.00 0.00 N ATOM 208 CA GLN A 16 -12.115 6.970 5.966 1.00 0.00 C ATOM 209 C GLN A 16 -13.332 6.052 5.837 1.00 0.00 C ATOM 210 O GLN A 16 -13.783 5.764 4.730 1.00 0.00 O ATOM 211 CB GLN A 16 -12.174 8.106 4.942 1.00 0.00 C ATOM 212 CG GLN A 16 -12.589 9.421 5.604 1.00 0.00 C ATOM 213 CD GLN A 16 -13.962 9.291 6.268 1.00 0.00 C ATOM 214 OE1 GLN A 16 -14.997 9.505 5.659 1.00 0.00 O ATOM 215 NE2 GLN A 16 -13.912 8.929 7.547 1.00 0.00 N ATOM 0 H GLN A 16 -10.872 5.570 5.025 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.127 7.419 6.959 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.199 8.225 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.882 7.853 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -11.847 9.708 6.349 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.615 10.215 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -13.011 8.766 7.996 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.775 8.815 8.079 1.00 0.00 H new ATOM 224 N PRO A 17 -13.843 5.608 7.017 1.00 0.00 N ATOM 225 CA PRO A 17 -15.000 4.728 7.047 1.00 0.00 C ATOM 226 C PRO A 17 -16.285 5.501 6.742 1.00 0.00 C ATOM 227 O PRO A 17 -17.139 5.023 5.997 1.00 0.00 O ATOM 228 CB PRO A 17 -14.992 4.115 8.437 1.00 0.00 C ATOM 229 CG PRO A 17 -14.111 5.018 9.286 1.00 0.00 C ATOM 230 CD PRO A 17 -13.336 5.929 8.347 1.00 0.00 C ATOM 0 HA PRO A 17 -14.958 3.951 6.283 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.001 4.059 8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.601 3.098 8.413 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -14.718 5.606 9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -13.427 4.424 9.892 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.499 6.979 8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.263 5.749 8.416 1.00 0.00 H new ATOM 238 N THR A 18 -16.380 6.683 7.332 1.00 0.00 N ATOM 239 CA THR A 18 -17.546 7.527 7.133 1.00 0.00 C ATOM 240 C THR A 18 -17.130 8.996 7.029 1.00 0.00 C ATOM 241 O THR A 18 -17.325 9.628 5.992 1.00 0.00 O ATOM 242 CB THR A 18 -18.529 7.253 8.274 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.766 7.492 9.453 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.915 5.776 8.372 1.00 0.00 C ATOM 0 H THR A 18 -15.669 7.077 7.948 1.00 0.00 H new ATOM 0 HA THR A 18 -18.045 7.296 6.192 1.00 0.00 H new ATOM 0 HB THR A 18 -19.427 7.854 8.132 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.327 7.339 10.242 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.614 5.636 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.385 5.460 7.441 1.00 0.00 H new ATOM 0 HG23 THR A 18 -18.021 5.177 8.548 1.00 0.00 H new ATOM 252 N LYS A 19 -16.565 9.496 8.117 1.00 0.00 N ATOM 253 CA LYS A 19 -16.119 10.879 8.161 1.00 0.00 C ATOM 254 C LYS A 19 -15.877 11.286 9.616 1.00 0.00 C ATOM 255 O LYS A 19 -15.030 12.133 9.894 1.00 0.00 O ATOM 256 CB LYS A 19 -17.110 11.784 7.426 1.00 0.00 C ATOM 257 CG LYS A 19 -16.539 12.245 6.084 1.00 0.00 C ATOM 258 CD LYS A 19 -15.479 13.331 6.282 1.00 0.00 C ATOM 259 CE LYS A 19 -14.215 13.016 5.480 1.00 0.00 C ATOM 260 NZ LYS A 19 -13.059 13.769 6.017 1.00 0.00 N ATOM 0 H LYS A 19 -16.405 8.969 8.976 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.170 10.991 7.636 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -18.045 11.248 7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -17.343 12.651 8.044 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.101 11.395 5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.343 12.627 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.880 14.296 5.972 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.231 13.414 7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.010 11.946 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -14.369 13.273 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.209 13.544 5.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.251 14.789 5.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -12.903 13.504 7.010 1.00 0.00 H new ATOM 274 N ARG A 20 -16.636 10.663 10.506 1.00 0.00 N ATOM 275 CA ARG A 20 -16.514 10.950 11.925 1.00 0.00 C ATOM 276 C ARG A 20 -15.047 11.172 12.298 1.00 0.00 C ATOM 277 O ARG A 20 -14.158 10.521 11.750 1.00 0.00 O ATOM 278 CB ARG A 20 -17.080 9.805 12.769 1.00 0.00 C ATOM 279 CG ARG A 20 -18.588 9.661 12.555 1.00 0.00 C ATOM 280 CD ARG A 20 -19.356 10.744 13.315 1.00 0.00 C ATOM 281 NE ARG A 20 -20.710 10.903 12.740 1.00 0.00 N ATOM 282 CZ ARG A 20 -21.622 11.773 13.194 1.00 0.00 C ATOM 283 NH1 ARG A 20 -21.331 12.568 14.233 1.00 0.00 N ATOM 284 NH2 ARG A 20 -22.826 11.847 12.610 1.00 0.00 N ATOM 0 H ARG A 20 -17.338 9.961 10.272 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.085 11.855 12.130 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -16.581 8.873 12.505 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -16.874 9.989 13.823 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -18.816 9.727 11.491 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -18.914 8.676 12.890 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -19.429 10.478 14.369 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.816 11.689 13.262 1.00 0.00 H new ATOM 0 HE ARG A 20 -20.965 10.313 11.948 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.415 12.511 14.678 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.025 13.230 14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.048 11.241 11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -23.521 12.509 12.955 1.00 0.00 H new ATOM 298 N PRO A 21 -14.833 12.117 13.252 1.00 0.00 N ATOM 299 CA PRO A 21 -13.488 12.433 13.704 1.00 0.00 C ATOM 300 C PRO A 21 -12.946 11.335 14.621 1.00 0.00 C ATOM 301 O PRO A 21 -11.759 11.318 14.941 1.00 0.00 O ATOM 302 CB PRO A 21 -13.613 13.779 14.398 1.00 0.00 C ATOM 303 CG PRO A 21 -15.090 13.948 14.718 1.00 0.00 C ATOM 304 CD PRO A 21 -15.861 12.907 13.922 1.00 0.00 C ATOM 0 HA PRO A 21 -12.770 12.487 12.885 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.011 13.807 15.306 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.258 14.584 13.755 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.266 13.820 15.786 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.425 14.952 14.458 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -16.476 12.286 14.573 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.532 13.376 13.202 1.00 0.00 H new ATOM 312 N GLU A 22 -13.843 10.445 15.019 1.00 0.00 N ATOM 313 CA GLU A 22 -13.470 9.346 15.894 1.00 0.00 C ATOM 314 C GLU A 22 -13.074 8.121 15.067 1.00 0.00 C ATOM 315 O GLU A 22 -12.498 7.171 15.595 1.00 0.00 O ATOM 316 CB GLU A 22 -14.603 9.009 16.866 1.00 0.00 C ATOM 317 CG GLU A 22 -15.808 8.430 16.123 1.00 0.00 C ATOM 318 CD GLU A 22 -16.753 7.710 17.088 1.00 0.00 C ATOM 319 OE1 GLU A 22 -16.335 6.653 17.608 1.00 0.00 O ATOM 320 OE2 GLU A 22 -17.871 8.233 17.283 1.00 0.00 O ATOM 0 H GLU A 22 -14.827 10.462 14.752 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.609 9.655 16.486 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.250 8.292 17.608 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.902 9.907 17.407 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.344 9.230 15.613 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.467 7.735 15.356 1.00 0.00 H new ATOM 327 N GLY A 23 -13.400 8.182 13.784 1.00 0.00 N ATOM 328 CA GLY A 23 -13.086 7.089 12.880 1.00 0.00 C ATOM 329 C GLY A 23 -12.247 7.579 11.698 1.00 0.00 C ATOM 330 O GLY A 23 -12.600 7.347 10.543 1.00 0.00 O ATOM 0 H GLY A 23 -13.878 8.971 13.349 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.544 6.312 13.418 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -14.009 6.639 12.514 1.00 0.00 H new ATOM 334 N ARG A 24 -11.153 8.249 12.028 1.00 0.00 N ATOM 335 CA ARG A 24 -10.261 8.774 11.008 1.00 0.00 C ATOM 336 C ARG A 24 -8.867 9.010 11.592 1.00 0.00 C ATOM 337 O ARG A 24 -8.709 9.776 12.541 1.00 0.00 O ATOM 338 CB ARG A 24 -10.794 10.088 10.433 1.00 0.00 C ATOM 339 CG ARG A 24 -11.113 11.085 11.549 1.00 0.00 C ATOM 340 CD ARG A 24 -10.010 12.137 11.676 1.00 0.00 C ATOM 341 NE ARG A 24 -10.606 13.491 11.731 1.00 0.00 N ATOM 342 CZ ARG A 24 -9.896 14.626 11.680 1.00 0.00 C ATOM 343 NH1 ARG A 24 -8.561 14.578 11.571 1.00 0.00 N ATOM 344 NH2 ARG A 24 -10.521 15.810 11.736 1.00 0.00 N ATOM 0 H ARG A 24 -10.864 8.440 12.987 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.203 8.037 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.056 10.518 9.756 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.692 9.895 9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.065 11.574 11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.225 10.554 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.422 11.953 12.575 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.328 12.065 10.829 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.620 13.564 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.085 13.677 11.527 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.021 15.443 11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.537 15.847 11.817 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.981 16.674 11.697 1.00 0.00 H new ATOM 358 N THR A 25 -7.890 8.337 11.001 1.00 0.00 N ATOM 359 CA THR A 25 -6.515 8.464 11.451 1.00 0.00 C ATOM 360 C THR A 25 -5.550 8.252 10.283 1.00 0.00 C ATOM 361 O THR A 25 -5.974 7.949 9.170 1.00 0.00 O ATOM 362 CB THR A 25 -6.301 7.478 12.602 1.00 0.00 C ATOM 363 OG1 THR A 25 -4.987 7.769 13.069 1.00 0.00 O ATOM 364 CG2 THR A 25 -6.213 6.028 12.123 1.00 0.00 C ATOM 0 H THR A 25 -8.024 7.702 10.214 1.00 0.00 H new ATOM 0 HA THR A 25 -6.312 9.469 11.822 1.00 0.00 H new ATOM 0 HB THR A 25 -7.117 7.575 13.318 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.767 7.176 13.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.061 5.371 12.979 1.00 0.00 H new ATOM 0 HG22 THR A 25 -7.139 5.755 11.616 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.376 5.923 11.432 1.00 0.00 H new ATOM 372 N TYR A 26 -4.269 8.421 10.578 1.00 0.00 N ATOM 373 CA TYR A 26 -3.240 8.252 9.565 1.00 0.00 C ATOM 374 C TYR A 26 -2.037 7.493 10.128 1.00 0.00 C ATOM 375 O TYR A 26 -1.931 7.298 11.338 1.00 0.00 O ATOM 376 CB TYR A 26 -2.799 9.664 9.173 1.00 0.00 C ATOM 377 CG TYR A 26 -3.936 10.687 9.149 1.00 0.00 C ATOM 378 CD1 TYR A 26 -4.426 11.202 10.332 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.472 11.094 7.944 1.00 0.00 C ATOM 380 CE1 TYR A 26 -5.497 12.165 10.309 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.542 12.057 7.921 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.002 12.545 9.105 1.00 0.00 C ATOM 383 OH TYR A 26 -7.013 13.454 9.083 1.00 0.00 O ATOM 0 H TYR A 26 -3.920 8.673 11.503 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.624 7.684 8.718 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.035 10.002 9.873 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.335 9.628 8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.007 10.883 11.275 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.089 10.690 7.019 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.890 12.576 11.227 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.970 12.385 6.985 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.273 13.632 8.155 1.00 0.00 H new ATOM 393 N ALA A 27 -1.160 7.084 9.223 1.00 0.00 N ATOM 394 CA ALA A 27 0.032 6.350 9.614 1.00 0.00 C ATOM 395 C ALA A 27 1.204 6.780 8.729 1.00 0.00 C ATOM 396 O ALA A 27 1.020 7.527 7.769 1.00 0.00 O ATOM 397 CB ALA A 27 -0.243 4.847 9.529 1.00 0.00 C ATOM 0 H ALA A 27 -1.251 7.247 8.220 1.00 0.00 H new ATOM 0 HA ALA A 27 0.300 6.574 10.647 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.651 4.296 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.064 4.589 10.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.512 4.584 8.506 1.00 0.00 H new ATOM 403 N ASP A 28 2.382 6.289 9.083 1.00 0.00 N ATOM 404 CA ASP A 28 3.584 6.613 8.332 1.00 0.00 C ATOM 405 C ASP A 28 4.509 5.395 8.309 1.00 0.00 C ATOM 406 O ASP A 28 4.838 4.841 9.357 1.00 0.00 O ATOM 407 CB ASP A 28 4.343 7.771 8.982 1.00 0.00 C ATOM 408 CG ASP A 28 4.406 7.728 10.510 1.00 0.00 C ATOM 409 OD1 ASP A 28 5.173 6.884 11.023 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.685 8.539 11.131 1.00 0.00 O ATOM 0 H ASP A 28 2.531 5.669 9.879 1.00 0.00 H new ATOM 0 HA ASP A 28 3.285 6.898 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.361 7.783 8.592 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.875 8.708 8.679 1.00 0.00 H new ATOM 415 N TYR A 29 4.903 5.014 7.103 1.00 0.00 N ATOM 416 CA TYR A 29 5.784 3.872 6.929 1.00 0.00 C ATOM 417 C TYR A 29 7.035 4.259 6.138 1.00 0.00 C ATOM 418 O TYR A 29 7.202 5.418 5.762 1.00 0.00 O ATOM 419 CB TYR A 29 4.986 2.842 6.127 1.00 0.00 C ATOM 420 CG TYR A 29 3.765 2.288 6.865 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.561 2.960 6.807 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.869 1.117 7.588 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.413 2.439 7.502 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.720 0.596 8.283 1.00 0.00 C ATOM 425 CZ TYR A 29 1.548 1.283 8.205 1.00 0.00 C ATOM 426 OH TYR A 29 0.463 0.791 8.861 1.00 0.00 O ATOM 0 H TYR A 29 4.628 5.476 6.236 1.00 0.00 H new ATOM 0 HA TYR A 29 6.110 3.488 7.896 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.657 3.299 5.194 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.644 2.014 5.862 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.480 3.876 6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.811 0.592 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.465 2.955 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.787 -0.319 8.853 1.00 0.00 H new ATOM 0 HH TYR A 29 0.707 -0.040 9.319 1.00 0.00 H new ATOM 436 N GLU A 30 7.882 3.267 5.908 1.00 0.00 N ATOM 437 CA GLU A 30 9.112 3.489 5.168 1.00 0.00 C ATOM 438 C GLU A 30 8.898 3.197 3.681 1.00 0.00 C ATOM 439 O GLU A 30 9.560 3.785 2.828 1.00 0.00 O ATOM 440 CB GLU A 30 10.253 2.641 5.734 1.00 0.00 C ATOM 441 CG GLU A 30 10.707 3.172 7.095 1.00 0.00 C ATOM 442 CD GLU A 30 12.155 2.771 7.385 1.00 0.00 C ATOM 443 OE1 GLU A 30 13.020 3.130 6.557 1.00 0.00 O ATOM 444 OE2 GLU A 30 12.364 2.114 8.428 1.00 0.00 O ATOM 0 H GLU A 30 7.740 2.307 6.221 1.00 0.00 H new ATOM 0 HA GLU A 30 9.393 4.537 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.927 1.606 5.834 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.093 2.645 5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.616 4.258 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.055 2.783 7.877 1.00 0.00 H new ATOM 451 N SER A 31 7.970 2.289 3.417 1.00 0.00 N ATOM 452 CA SER A 31 7.660 1.913 2.048 1.00 0.00 C ATOM 453 C SER A 31 6.151 1.998 1.811 1.00 0.00 C ATOM 454 O SER A 31 5.381 2.194 2.750 1.00 0.00 O ATOM 455 CB SER A 31 8.167 0.503 1.737 1.00 0.00 C ATOM 456 OG SER A 31 9.273 0.520 0.838 1.00 0.00 O ATOM 0 H SER A 31 7.423 1.803 4.127 1.00 0.00 H new ATOM 0 HA SER A 31 8.166 2.609 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.461 0.011 2.664 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.358 -0.086 1.305 1.00 0.00 H new ATOM 0 HG SER A 31 9.569 -0.398 0.666 1.00 0.00 H new ATOM 462 N VAL A 32 5.772 1.847 0.550 1.00 0.00 N ATOM 463 CA VAL A 32 4.369 1.904 0.178 1.00 0.00 C ATOM 464 C VAL A 32 3.682 0.602 0.593 1.00 0.00 C ATOM 465 O VAL A 32 2.654 0.627 1.269 1.00 0.00 O ATOM 466 CB VAL A 32 4.237 2.199 -1.318 1.00 0.00 C ATOM 467 CG1 VAL A 32 2.961 1.575 -1.889 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.278 3.705 -1.585 1.00 0.00 C ATOM 0 H VAL A 32 6.413 1.685 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 32 3.867 2.717 0.703 1.00 0.00 H new ATOM 0 HB VAL A 32 5.088 1.745 -1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.891 1.799 -2.953 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.989 0.495 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.093 1.986 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.182 3.887 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.456 4.190 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.225 4.112 -1.231 1.00 0.00 H new ATOM 478 N ASN A 33 4.277 -0.504 0.172 1.00 0.00 N ATOM 479 CA ASN A 33 3.734 -1.814 0.493 1.00 0.00 C ATOM 480 C ASN A 33 3.226 -1.812 1.935 1.00 0.00 C ATOM 481 O ASN A 33 2.051 -2.081 2.184 1.00 0.00 O ATOM 482 CB ASN A 33 4.806 -2.899 0.371 1.00 0.00 C ATOM 483 CG ASN A 33 5.482 -2.851 -1.001 1.00 0.00 C ATOM 484 OD1 ASN A 33 4.839 -2.773 -2.035 1.00 0.00 O ATOM 485 ND2 ASN A 33 6.810 -2.902 -0.953 1.00 0.00 N ATOM 0 H ASN A 33 5.129 -0.521 -0.388 1.00 0.00 H new ATOM 0 HA ASN A 33 2.926 -2.025 -0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.553 -2.766 1.153 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.355 -3.879 0.524 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.353 -2.876 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.286 -2.967 -0.053 1.00 0.00 H new ATOM 492 N GLU A 34 4.135 -1.505 2.849 1.00 0.00 N ATOM 493 CA GLU A 34 3.793 -1.464 4.261 1.00 0.00 C ATOM 494 C GLU A 34 2.417 -0.823 4.455 1.00 0.00 C ATOM 495 O GLU A 34 1.584 -1.346 5.193 1.00 0.00 O ATOM 496 CB GLU A 34 4.863 -0.720 5.063 1.00 0.00 C ATOM 497 CG GLU A 34 6.232 -1.382 4.896 1.00 0.00 C ATOM 498 CD GLU A 34 6.156 -2.881 5.192 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.881 -3.636 4.235 1.00 0.00 O ATOM 500 OE2 GLU A 34 6.376 -3.239 6.370 1.00 0.00 O ATOM 0 H GLU A 34 5.108 -1.282 2.639 1.00 0.00 H new ATOM 0 HA GLU A 34 3.752 -2.487 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.914 0.318 4.733 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.588 -0.706 6.118 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.594 -1.226 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.952 -0.911 5.566 1.00 0.00 H new ATOM 507 N CYS A 35 2.223 0.301 3.781 1.00 0.00 N ATOM 508 CA CYS A 35 0.963 1.019 3.870 1.00 0.00 C ATOM 509 C CYS A 35 -0.158 0.079 3.423 1.00 0.00 C ATOM 510 O CYS A 35 -1.156 -0.081 4.125 1.00 0.00 O ATOM 511 CB CYS A 35 0.988 2.310 3.049 1.00 0.00 C ATOM 512 SG CYS A 35 2.291 3.429 3.680 1.00 0.00 S ATOM 0 H CYS A 35 2.917 0.732 3.171 1.00 0.00 H new ATOM 0 HA CYS A 35 0.788 1.326 4.901 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.172 2.080 2.000 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.017 2.803 3.102 1.00 0.00 H new ATOM 0 HG CYS A 35 2.663 3.038 4.863 1.00 0.00 H new ATOM 518 N MET A 36 0.043 -0.518 2.258 1.00 0.00 N ATOM 519 CA MET A 36 -0.939 -1.438 1.709 1.00 0.00 C ATOM 520 C MET A 36 -1.348 -2.486 2.745 1.00 0.00 C ATOM 521 O MET A 36 -2.487 -2.950 2.748 1.00 0.00 O ATOM 522 CB MET A 36 -0.353 -2.136 0.480 1.00 0.00 C ATOM 523 CG MET A 36 0.088 -1.116 -0.572 1.00 0.00 C ATOM 524 SD MET A 36 -1.246 0.017 -0.920 1.00 0.00 S ATOM 525 CE MET A 36 -0.315 1.515 -1.201 1.00 0.00 C ATOM 0 H MET A 36 0.871 -0.383 1.679 1.00 0.00 H new ATOM 0 HA MET A 36 -1.825 -0.869 1.427 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.498 -2.749 0.777 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.096 -2.809 0.051 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.959 -0.567 -0.215 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.388 -1.630 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.994 2.367 -1.221 1.00 0.00 H new ATOM 0 HE2 MET A 36 0.410 1.648 -0.398 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.208 1.445 -2.155 1.00 0.00 H new ATOM 535 N GLU A 37 -0.396 -2.829 3.601 1.00 0.00 N ATOM 536 CA GLU A 37 -0.643 -3.814 4.640 1.00 0.00 C ATOM 537 C GLU A 37 -1.799 -3.363 5.535 1.00 0.00 C ATOM 538 O GLU A 37 -2.818 -4.045 5.628 1.00 0.00 O ATOM 539 CB GLU A 37 0.621 -4.070 5.464 1.00 0.00 C ATOM 540 CG GLU A 37 0.935 -5.566 5.536 1.00 0.00 C ATOM 541 CD GLU A 37 1.723 -5.900 6.804 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.103 -4.938 7.506 1.00 0.00 O ATOM 543 OE2 GLU A 37 1.928 -7.110 7.043 1.00 0.00 O ATOM 0 H GLU A 37 0.548 -2.442 3.596 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.923 -4.754 4.164 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.463 -3.539 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.490 -3.673 6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.007 -6.137 5.519 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.508 -5.864 4.658 1.00 0.00 H new ATOM 550 N GLY A 38 -1.601 -2.217 6.170 1.00 0.00 N ATOM 551 CA GLY A 38 -2.615 -1.667 7.054 1.00 0.00 C ATOM 552 C GLY A 38 -3.999 -1.727 6.405 1.00 0.00 C ATOM 553 O GLY A 38 -4.994 -1.991 7.079 1.00 0.00 O ATOM 0 H GLY A 38 -0.754 -1.654 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.625 -2.222 7.992 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.368 -0.634 7.298 1.00 0.00 H new ATOM 557 N VAL A 39 -4.019 -1.476 5.104 1.00 0.00 N ATOM 558 CA VAL A 39 -5.265 -1.497 4.357 1.00 0.00 C ATOM 559 C VAL A 39 -5.865 -2.903 4.415 1.00 0.00 C ATOM 560 O VAL A 39 -6.883 -3.121 5.070 1.00 0.00 O ATOM 561 CB VAL A 39 -5.025 -1.008 2.927 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.242 -1.285 2.042 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.663 0.479 2.910 1.00 0.00 C ATOM 0 H VAL A 39 -3.192 -1.257 4.548 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.990 -0.816 4.802 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.180 -1.564 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.046 -0.928 1.031 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.437 -2.357 2.017 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.112 -0.768 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.497 0.801 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.478 1.057 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.755 0.639 3.491 1.00 0.00 H new ATOM 573 N CYS A 40 -5.209 -3.821 3.721 1.00 0.00 N ATOM 574 CA CYS A 40 -5.665 -5.200 3.685 1.00 0.00 C ATOM 575 C CYS A 40 -6.082 -5.605 5.100 1.00 0.00 C ATOM 576 O CYS A 40 -7.190 -6.097 5.308 1.00 0.00 O ATOM 577 CB CYS A 40 -4.596 -6.135 3.115 1.00 0.00 C ATOM 578 SG CYS A 40 -5.386 -7.609 2.371 1.00 0.00 S ATOM 0 H CYS A 40 -4.365 -3.637 3.179 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.522 -5.285 3.016 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.005 -5.611 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.909 -6.440 3.905 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.017 -8.673 3.020 1.00 0.00 H new ATOM 584 N LYS A 41 -5.172 -5.383 6.037 1.00 0.00 N ATOM 585 CA LYS A 41 -5.431 -5.719 7.427 1.00 0.00 C ATOM 586 C LYS A 41 -6.913 -5.495 7.733 1.00 0.00 C ATOM 587 O LYS A 41 -7.577 -6.374 8.280 1.00 0.00 O ATOM 588 CB LYS A 41 -4.488 -4.945 8.350 1.00 0.00 C ATOM 589 CG LYS A 41 -3.037 -5.388 8.149 1.00 0.00 C ATOM 590 CD LYS A 41 -2.671 -6.518 9.112 1.00 0.00 C ATOM 591 CE LYS A 41 -1.167 -6.798 9.082 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.496 -6.149 10.231 1.00 0.00 N ATOM 0 H LYS A 41 -4.254 -4.974 5.861 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.223 -6.773 7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.576 -3.877 8.153 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.779 -5.103 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.894 -5.721 7.121 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.369 -4.541 8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.975 -6.251 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.218 -7.421 8.843 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.991 -7.873 9.110 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.741 -6.429 8.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.524 -6.349 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.649 -5.121 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.891 -6.520 11.119 1.00 0.00 H new ATOM 606 N MET A 42 -7.388 -4.314 7.367 1.00 0.00 N ATOM 607 CA MET A 42 -8.779 -3.963 7.596 1.00 0.00 C ATOM 608 C MET A 42 -9.689 -5.178 7.408 1.00 0.00 C ATOM 609 O MET A 42 -10.426 -5.553 8.319 1.00 0.00 O ATOM 610 CB MET A 42 -9.195 -2.859 6.622 1.00 0.00 C ATOM 611 CG MET A 42 -8.460 -1.552 6.928 1.00 0.00 C ATOM 612 SD MET A 42 -9.374 -0.168 6.268 1.00 0.00 S ATOM 613 CE MET A 42 -8.651 -0.068 4.640 1.00 0.00 C ATOM 0 H MET A 42 -6.834 -3.588 6.913 1.00 0.00 H new ATOM 0 HA MET A 42 -8.880 -3.611 8.623 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.980 -3.171 5.600 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.271 -2.699 6.686 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.338 -1.437 8.005 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.460 -1.578 6.495 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.364 0.388 3.953 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.746 0.539 4.680 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.401 -1.070 4.291 1.00 0.00 H new ATOM 623 N TYR A 43 -9.608 -5.761 6.221 1.00 0.00 N ATOM 624 CA TYR A 43 -10.415 -6.926 5.902 1.00 0.00 C ATOM 625 C TYR A 43 -9.985 -8.135 6.735 1.00 0.00 C ATOM 626 O TYR A 43 -10.824 -8.827 7.310 1.00 0.00 O ATOM 627 CB TYR A 43 -10.159 -7.225 4.423 1.00 0.00 C ATOM 628 CG TYR A 43 -11.272 -8.029 3.749 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.546 -7.507 3.663 1.00 0.00 C ATOM 630 CD2 TYR A 43 -11.001 -9.278 3.227 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.594 -8.264 3.028 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.049 -10.036 2.593 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.293 -9.491 2.525 1.00 0.00 C ATOM 634 OH TYR A 43 -14.283 -10.207 1.926 1.00 0.00 O ATOM 0 H TYR A 43 -8.995 -5.448 5.468 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.467 -6.734 6.114 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -10.031 -6.283 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.222 -7.774 4.331 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.758 -6.530 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -10.004 -9.687 3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.595 -7.866 2.953 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.851 -11.015 2.181 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.694 -9.668 1.218 1.00 0.00 H new ATOM 644 N GLU A 44 -8.679 -8.353 6.774 1.00 0.00 N ATOM 645 CA GLU A 44 -8.128 -9.467 7.527 1.00 0.00 C ATOM 646 C GLU A 44 -8.823 -9.584 8.885 1.00 0.00 C ATOM 647 O GLU A 44 -9.578 -10.526 9.120 1.00 0.00 O ATOM 648 CB GLU A 44 -6.615 -9.318 7.697 1.00 0.00 C ATOM 649 CG GLU A 44 -5.879 -9.699 6.410 1.00 0.00 C ATOM 650 CD GLU A 44 -6.001 -8.592 5.361 1.00 0.00 C ATOM 651 OE1 GLU A 44 -7.121 -8.438 4.826 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.972 -7.925 5.117 1.00 0.00 O ATOM 0 H GLU A 44 -7.986 -7.777 6.296 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.309 -10.385 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.375 -8.289 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.273 -9.950 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.827 -9.883 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.289 -10.628 6.013 1.00 0.00 H new ATOM 659 N GLU A 45 -8.542 -8.615 9.744 1.00 0.00 N ATOM 660 CA GLU A 45 -9.131 -8.598 11.072 1.00 0.00 C ATOM 661 C GLU A 45 -10.638 -8.846 10.988 1.00 0.00 C ATOM 662 O GLU A 45 -11.184 -9.640 11.753 1.00 0.00 O ATOM 663 CB GLU A 45 -8.831 -7.279 11.788 1.00 0.00 C ATOM 664 CG GLU A 45 -9.145 -6.083 10.887 1.00 0.00 C ATOM 665 CD GLU A 45 -8.115 -4.967 11.079 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.915 -5.308 11.146 1.00 0.00 O ATOM 667 OE2 GLU A 45 -8.553 -3.799 11.154 1.00 0.00 O ATOM 0 H GLU A 45 -7.914 -7.836 9.546 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.683 -9.401 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.421 -7.215 12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.782 -7.251 12.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.152 -6.401 9.844 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.142 -5.705 11.112 1.00 0.00 H new ATOM 674 N HIS A 46 -11.268 -8.152 10.051 1.00 0.00 N ATOM 675 CA HIS A 46 -12.702 -8.287 9.857 1.00 0.00 C ATOM 676 C HIS A 46 -13.039 -9.740 9.516 1.00 0.00 C ATOM 677 O HIS A 46 -14.158 -10.194 9.752 1.00 0.00 O ATOM 678 CB HIS A 46 -13.203 -7.299 8.802 1.00 0.00 C ATOM 679 CG HIS A 46 -14.406 -7.784 8.029 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.686 -7.780 8.554 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.510 -8.287 6.765 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.516 -8.261 7.640 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.785 -8.575 6.532 1.00 0.00 N ATOM 0 H HIS A 46 -10.812 -7.495 9.418 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.223 -8.037 10.781 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.453 -6.357 9.291 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.394 -7.090 8.102 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -13.694 -8.427 6.072 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.583 -8.383 7.752 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -16.157 -8.967 5.667 1.00 0.00 H new ATOM 691 N LEU A 47 -12.050 -10.430 8.967 1.00 0.00 N ATOM 692 CA LEU A 47 -12.228 -11.823 8.591 1.00 0.00 C ATOM 693 C LEU A 47 -11.974 -12.712 9.810 1.00 0.00 C ATOM 694 O LEU A 47 -12.747 -13.627 10.087 1.00 0.00 O ATOM 695 CB LEU A 47 -11.352 -12.168 7.385 1.00 0.00 C ATOM 696 CG LEU A 47 -12.038 -12.107 6.019 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.859 -10.824 5.875 1.00 0.00 C ATOM 698 CD2 LEU A 47 -11.021 -12.267 4.887 1.00 0.00 C ATOM 0 H LEU A 47 -11.123 -10.051 8.773 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.255 -12.004 8.272 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.501 -11.487 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.954 -13.173 7.525 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.733 -12.944 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.336 -10.805 4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.623 -10.792 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.203 -9.959 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.535 -12.220 3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.284 -11.466 4.944 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.518 -13.229 4.983 1.00 0.00 H new ATOM 710 N LYS A 48 -10.887 -12.411 10.506 1.00 0.00 N ATOM 711 CA LYS A 48 -10.521 -13.171 11.689 1.00 0.00 C ATOM 712 C LYS A 48 -11.788 -13.540 12.464 1.00 0.00 C ATOM 713 O LYS A 48 -12.086 -14.720 12.646 1.00 0.00 O ATOM 714 CB LYS A 48 -9.492 -12.404 12.522 1.00 0.00 C ATOM 715 CG LYS A 48 -8.390 -13.338 13.027 1.00 0.00 C ATOM 716 CD LYS A 48 -7.005 -12.773 12.709 1.00 0.00 C ATOM 717 CE LYS A 48 -6.514 -13.260 11.344 1.00 0.00 C ATOM 718 NZ LYS A 48 -5.080 -13.620 11.407 1.00 0.00 N ATOM 0 H LYS A 48 -10.248 -11.651 10.273 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.035 -14.105 11.407 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.052 -11.608 11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.986 -11.928 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.491 -13.478 14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.501 -14.320 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.042 -11.684 12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.299 -13.075 13.482 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.098 -14.124 11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.667 -12.481 10.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.763 -13.948 10.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.525 -12.787 11.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.943 -14.378 12.105 1.00 0.00 H new ATOM 732 N ARG A 49 -12.498 -12.510 12.900 1.00 0.00 N ATOM 733 CA ARG A 49 -13.725 -12.712 13.651 1.00 0.00 C ATOM 734 C ARG A 49 -14.638 -13.700 12.921 1.00 0.00 C ATOM 735 O ARG A 49 -15.255 -14.560 13.548 1.00 0.00 O ATOM 736 CB ARG A 49 -14.472 -11.391 13.852 1.00 0.00 C ATOM 737 CG ARG A 49 -14.445 -10.547 12.576 1.00 0.00 C ATOM 738 CD ARG A 49 -15.862 -10.281 12.065 1.00 0.00 C ATOM 739 NE ARG A 49 -16.230 -8.868 12.305 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.403 -8.326 11.950 1.00 0.00 C ATOM 741 NH1 ARG A 49 -18.329 -9.076 11.338 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.650 -7.034 12.208 1.00 0.00 N ATOM 0 H ARG A 49 -12.247 -11.533 12.748 1.00 0.00 H new ATOM 0 HA ARG A 49 -13.454 -13.115 14.627 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -15.505 -11.593 14.137 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -14.018 -10.833 14.671 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.942 -9.600 12.772 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.868 -11.061 11.808 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.921 -10.505 11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -16.569 -10.940 12.569 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.548 -8.269 12.770 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.141 -10.059 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.222 -8.664 11.068 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.945 -6.463 12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.543 -6.622 11.938 1.00 0.00 H new ATOM 756 N MET A 50 -14.696 -13.543 11.607 1.00 0.00 N ATOM 757 CA MET A 50 -15.523 -14.410 10.785 1.00 0.00 C ATOM 758 C MET A 50 -14.933 -15.820 10.710 1.00 0.00 C ATOM 759 O MET A 50 -15.663 -16.807 10.780 1.00 0.00 O ATOM 760 CB MET A 50 -15.632 -13.826 9.376 1.00 0.00 C ATOM 761 CG MET A 50 -16.345 -12.473 9.397 1.00 0.00 C ATOM 762 SD MET A 50 -17.736 -12.498 8.278 1.00 0.00 S ATOM 763 CE MET A 50 -16.960 -13.205 6.834 1.00 0.00 C ATOM 0 H MET A 50 -14.184 -12.828 11.091 1.00 0.00 H new ATOM 0 HA MET A 50 -16.512 -14.474 11.238 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.636 -13.710 8.949 1.00 0.00 H new ATOM 0 HB3 MET A 50 -16.176 -14.518 8.733 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.685 -12.248 10.408 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.651 -11.683 9.110 1.00 0.00 H new ATOM 0 HE1 MET A 50 -17.495 -12.885 5.940 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.924 -12.870 6.777 1.00 0.00 H new ATOM 0 HE3 MET A 50 -16.986 -14.293 6.902 1.00 0.00 H new ATOM 773 N ASN A 51 -13.616 -15.869 10.568 1.00 0.00 N ATOM 774 CA ASN A 51 -12.920 -17.142 10.482 1.00 0.00 C ATOM 775 C ASN A 51 -11.972 -17.281 11.674 1.00 0.00 C ATOM 776 O ASN A 51 -10.913 -16.655 11.707 1.00 0.00 O ATOM 777 CB ASN A 51 -12.086 -17.228 9.202 1.00 0.00 C ATOM 778 CG ASN A 51 -12.923 -16.856 7.976 1.00 0.00 C ATOM 779 OD1 ASN A 51 -13.320 -17.697 7.186 1.00 0.00 O ATOM 780 ND2 ASN A 51 -13.166 -15.554 7.862 1.00 0.00 N ATOM 0 H ASN A 51 -13.013 -15.048 10.510 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.667 -17.936 10.480 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.228 -16.560 9.277 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -11.694 -18.239 9.086 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.715 -15.205 7.077 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.803 -14.904 8.560 1.00 0.00 H new ATOM 787 N PRO A 52 -12.397 -18.126 12.651 1.00 0.00 N ATOM 788 CA PRO A 52 -11.597 -18.355 13.843 1.00 0.00 C ATOM 789 C PRO A 52 -10.400 -19.257 13.535 1.00 0.00 C ATOM 790 O PRO A 52 -9.256 -18.886 13.795 1.00 0.00 O ATOM 791 CB PRO A 52 -12.558 -18.967 14.849 1.00 0.00 C ATOM 792 CG PRO A 52 -13.735 -19.486 14.040 1.00 0.00 C ATOM 793 CD PRO A 52 -13.645 -18.884 12.647 1.00 0.00 C ATOM 0 HA PRO A 52 -11.158 -17.439 14.237 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.080 -19.774 15.404 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -12.883 -18.226 15.579 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.712 -20.574 13.988 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -14.676 -19.210 14.515 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -13.635 -19.659 11.881 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -14.499 -18.240 12.438 1.00 0.00 H new ATOM 801 N ASN A 53 -10.704 -20.424 12.985 1.00 0.00 N ATOM 802 CA ASN A 53 -9.667 -21.381 12.639 1.00 0.00 C ATOM 803 C ASN A 53 -8.644 -20.708 11.722 1.00 0.00 C ATOM 804 O ASN A 53 -7.448 -20.981 11.815 1.00 0.00 O ATOM 805 CB ASN A 53 -10.253 -22.582 11.894 1.00 0.00 C ATOM 806 CG ASN A 53 -10.898 -22.147 10.576 1.00 0.00 C ATOM 807 OD1 ASN A 53 -10.248 -22.007 9.553 1.00 0.00 O ATOM 808 ND2 ASN A 53 -12.210 -21.943 10.657 1.00 0.00 N ATOM 0 H ASN A 53 -11.654 -20.728 12.771 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.201 -21.723 13.563 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.467 -23.310 11.695 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.995 -23.077 12.521 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.733 -21.651 9.831 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.693 -22.078 11.545 1.00 0.00 H new ATOM 815 N SER A 54 -9.151 -19.842 10.857 1.00 0.00 N ATOM 816 CA SER A 54 -8.295 -19.128 9.925 1.00 0.00 C ATOM 817 C SER A 54 -6.989 -18.728 10.613 1.00 0.00 C ATOM 818 O SER A 54 -6.943 -17.731 11.333 1.00 0.00 O ATOM 819 CB SER A 54 -9.001 -17.891 9.366 1.00 0.00 C ATOM 820 OG SER A 54 -9.707 -18.178 8.161 1.00 0.00 O ATOM 0 H SER A 54 -10.143 -19.619 10.782 1.00 0.00 H new ATOM 0 HA SER A 54 -8.069 -19.793 9.091 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.697 -17.503 10.110 1.00 0.00 H new ATOM 0 HB3 SER A 54 -8.266 -17.108 9.178 1.00 0.00 H new ATOM 0 HG SER A 54 -9.871 -17.345 7.672 1.00 0.00 H new ATOM 826 N PRO A 55 -5.933 -19.546 10.362 1.00 0.00 N ATOM 827 CA PRO A 55 -4.629 -19.288 10.950 1.00 0.00 C ATOM 828 C PRO A 55 -3.934 -18.118 10.250 1.00 0.00 C ATOM 829 O PRO A 55 -3.355 -17.253 10.905 1.00 0.00 O ATOM 830 CB PRO A 55 -3.870 -20.597 10.815 1.00 0.00 C ATOM 831 CG PRO A 55 -4.601 -21.395 9.748 1.00 0.00 C ATOM 832 CD PRO A 55 -5.951 -20.736 9.516 1.00 0.00 C ATOM 0 HA PRO A 55 -4.691 -18.986 11.995 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.833 -20.420 10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.851 -21.137 11.762 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -4.023 -21.416 8.824 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.731 -22.429 10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.089 -20.474 8.467 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.769 -21.403 9.788 1.00 0.00 H new ATOM 840 N SER A 56 -4.015 -18.130 8.927 1.00 0.00 N ATOM 841 CA SER A 56 -3.401 -17.082 8.131 1.00 0.00 C ATOM 842 C SER A 56 -4.466 -16.366 7.298 1.00 0.00 C ATOM 843 O SER A 56 -4.155 -15.442 6.548 1.00 0.00 O ATOM 844 CB SER A 56 -2.308 -17.649 7.222 1.00 0.00 C ATOM 845 OG SER A 56 -1.728 -16.644 6.394 1.00 0.00 O ATOM 0 H SER A 56 -4.497 -18.849 8.387 1.00 0.00 H new ATOM 0 HA SER A 56 -2.936 -16.366 8.809 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.531 -18.109 7.833 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.729 -18.436 6.596 1.00 0.00 H new ATOM 0 HG SER A 56 -2.354 -15.895 6.301 1.00 0.00 H new ATOM 851 N ILE A 57 -5.700 -16.819 7.457 1.00 0.00 N ATOM 852 CA ILE A 57 -6.813 -16.234 6.729 1.00 0.00 C ATOM 853 C ILE A 57 -6.657 -16.537 5.238 1.00 0.00 C ATOM 854 O ILE A 57 -5.598 -16.983 4.799 1.00 0.00 O ATOM 855 CB ILE A 57 -6.933 -14.741 7.044 1.00 0.00 C ATOM 856 CG1 ILE A 57 -7.164 -14.513 8.540 1.00 0.00 C ATOM 857 CG2 ILE A 57 -8.020 -14.086 6.190 1.00 0.00 C ATOM 858 CD1 ILE A 57 -8.508 -13.825 8.788 1.00 0.00 C ATOM 0 H ILE A 57 -5.954 -17.585 8.080 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.754 -16.681 7.049 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.989 -14.261 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.138 -15.468 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.358 -13.902 8.947 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -8.084 -13.026 6.434 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.773 -14.201 5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.979 -14.564 6.392 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -8.648 -13.675 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.522 -12.860 8.281 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -9.313 -14.450 8.401 1.00 0.00 H new ATOM 870 N THR A 58 -7.727 -16.282 4.500 1.00 0.00 N ATOM 871 CA THR A 58 -7.723 -16.522 3.067 1.00 0.00 C ATOM 872 C THR A 58 -9.018 -16.008 2.436 1.00 0.00 C ATOM 873 O THR A 58 -10.107 -16.273 2.942 1.00 0.00 O ATOM 874 CB THR A 58 -7.487 -18.016 2.839 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.728 -18.068 1.634 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.776 -18.768 2.500 1.00 0.00 C ATOM 0 H THR A 58 -8.603 -15.911 4.868 1.00 0.00 H new ATOM 0 HA THR A 58 -6.920 -15.973 2.576 1.00 0.00 H new ATOM 0 HB THR A 58 -7.036 -18.452 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.529 -19.002 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.552 -19.824 2.348 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.486 -18.662 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.210 -18.354 1.590 1.00 0.00 H new ATOM 884 N TYR A 59 -8.857 -15.281 1.340 1.00 0.00 N ATOM 885 CA TYR A 59 -10.000 -14.728 0.634 1.00 0.00 C ATOM 886 C TYR A 59 -9.596 -14.217 -0.750 1.00 0.00 C ATOM 887 O TYR A 59 -8.409 -14.145 -1.067 1.00 0.00 O ATOM 888 CB TYR A 59 -10.486 -13.547 1.478 1.00 0.00 C ATOM 889 CG TYR A 59 -9.363 -12.635 1.975 1.00 0.00 C ATOM 890 CD1 TYR A 59 -8.852 -11.656 1.147 1.00 0.00 C ATOM 891 CD2 TYR A 59 -8.862 -12.790 3.252 1.00 0.00 C ATOM 892 CE1 TYR A 59 -7.795 -10.797 1.615 1.00 0.00 C ATOM 893 CE2 TYR A 59 -7.805 -11.930 3.720 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.324 -10.976 2.878 1.00 0.00 C ATOM 895 OH TYR A 59 -6.326 -10.165 3.320 1.00 0.00 O ATOM 0 H TYR A 59 -7.952 -15.062 0.924 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.769 -15.488 0.495 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.186 -12.956 0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -11.037 -13.930 2.337 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.245 -11.534 0.148 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -9.262 -13.556 3.900 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.386 -10.028 0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.404 -12.040 4.717 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.560 -9.230 3.141 1.00 0.00 H new ATOM 905 N ASP A 60 -10.605 -13.875 -1.538 1.00 0.00 N ATOM 906 CA ASP A 60 -10.369 -13.372 -2.881 1.00 0.00 C ATOM 907 C ASP A 60 -9.978 -11.895 -2.807 1.00 0.00 C ATOM 908 O ASP A 60 -10.548 -11.137 -2.023 1.00 0.00 O ATOM 909 CB ASP A 60 -11.629 -13.485 -3.740 1.00 0.00 C ATOM 910 CG ASP A 60 -12.139 -14.912 -3.956 1.00 0.00 C ATOM 911 OD1 ASP A 60 -12.856 -15.400 -3.055 1.00 0.00 O ATOM 912 OD2 ASP A 60 -11.801 -15.481 -5.015 1.00 0.00 O ATOM 0 H ASP A 60 -11.588 -13.936 -1.272 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.573 -13.967 -3.329 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.421 -12.899 -3.275 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.429 -13.036 -4.713 1.00 0.00 H new ATOM 917 N ILE A 61 -9.009 -11.530 -3.633 1.00 0.00 N ATOM 918 CA ILE A 61 -8.535 -10.157 -3.671 1.00 0.00 C ATOM 919 C ILE A 61 -9.693 -9.233 -4.052 1.00 0.00 C ATOM 920 O ILE A 61 -9.686 -8.051 -3.712 1.00 0.00 O ATOM 921 CB ILE A 61 -7.321 -10.035 -4.595 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.098 -9.526 -3.828 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.641 -9.160 -5.808 1.00 0.00 C ATOM 924 CD1 ILE A 61 -4.905 -9.334 -4.766 1.00 0.00 C ATOM 0 H ILE A 61 -8.539 -12.161 -4.282 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.189 -9.846 -2.685 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.076 -11.029 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.337 -8.581 -3.340 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.837 -10.234 -3.041 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.762 -9.090 -6.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.464 -9.603 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.926 -8.163 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.049 -8.972 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.653 -10.286 -5.234 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.162 -8.607 -5.537 1.00 0.00 H new ATOM 936 N SER A 62 -10.660 -9.807 -4.753 1.00 0.00 N ATOM 937 CA SER A 62 -11.823 -9.049 -5.184 1.00 0.00 C ATOM 938 C SER A 62 -12.891 -9.063 -4.089 1.00 0.00 C ATOM 939 O SER A 62 -13.816 -8.252 -4.109 1.00 0.00 O ATOM 940 CB SER A 62 -12.393 -9.610 -6.488 1.00 0.00 C ATOM 941 OG SER A 62 -13.652 -10.247 -6.291 1.00 0.00 O ATOM 0 H SER A 62 -10.662 -10.788 -5.033 1.00 0.00 H new ATOM 0 HA SER A 62 -11.513 -8.020 -5.367 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.505 -8.802 -7.212 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.688 -10.324 -6.914 1.00 0.00 H new ATOM 0 HG SER A 62 -13.983 -10.590 -7.147 1.00 0.00 H new ATOM 947 N GLN A 63 -12.728 -9.992 -3.158 1.00 0.00 N ATOM 948 CA GLN A 63 -13.667 -10.121 -2.057 1.00 0.00 C ATOM 949 C GLN A 63 -13.274 -9.186 -0.912 1.00 0.00 C ATOM 950 O GLN A 63 -14.099 -8.865 -0.057 1.00 0.00 O ATOM 951 CB GLN A 63 -13.752 -11.571 -1.576 1.00 0.00 C ATOM 952 CG GLN A 63 -14.635 -12.407 -2.506 1.00 0.00 C ATOM 953 CD GLN A 63 -16.096 -12.368 -2.055 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.440 -11.812 -1.025 1.00 0.00 O ATOM 955 NE2 GLN A 63 -16.934 -12.988 -2.881 1.00 0.00 N ATOM 0 H GLN A 63 -11.959 -10.662 -3.144 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.656 -9.832 -2.413 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -12.752 -12.003 -1.533 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.155 -11.599 -0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.555 -12.030 -3.526 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.282 -13.438 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -16.580 -13.434 -3.727 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.931 -13.018 -2.668 1.00 0.00 H new ATOM 964 N LEU A 64 -12.015 -8.774 -0.932 1.00 0.00 N ATOM 965 CA LEU A 64 -11.503 -7.882 0.094 1.00 0.00 C ATOM 966 C LEU A 64 -11.916 -6.446 -0.233 1.00 0.00 C ATOM 967 O LEU A 64 -12.264 -5.677 0.662 1.00 0.00 O ATOM 968 CB LEU A 64 -9.993 -8.066 0.259 1.00 0.00 C ATOM 969 CG LEU A 64 -9.168 -6.781 0.354 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.643 -5.909 1.518 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.673 -7.095 0.446 1.00 0.00 C ATOM 0 H LEU A 64 -11.334 -9.042 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.938 -8.126 1.063 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.815 -8.656 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.624 -8.650 -0.584 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.321 -6.208 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.040 -5.002 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.689 -5.642 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.539 -6.461 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.109 -6.165 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.482 -7.699 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.361 -7.645 -0.442 1.00 0.00 H new ATOM 983 N PHE A 65 -11.864 -6.127 -1.518 1.00 0.00 N ATOM 984 CA PHE A 65 -12.228 -4.796 -1.974 1.00 0.00 C ATOM 985 C PHE A 65 -13.739 -4.578 -1.877 1.00 0.00 C ATOM 986 O PHE A 65 -14.222 -3.462 -2.062 1.00 0.00 O ATOM 987 CB PHE A 65 -11.802 -4.694 -3.440 1.00 0.00 C ATOM 988 CG PHE A 65 -10.294 -4.822 -3.660 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.429 -4.457 -2.676 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.817 -5.301 -4.841 1.00 0.00 C ATOM 991 CE1 PHE A 65 -8.029 -4.576 -2.881 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.417 -5.420 -5.045 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.553 -5.055 -4.061 1.00 0.00 C ATOM 0 H PHE A 65 -11.575 -6.767 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.739 -4.043 -1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.309 -5.472 -4.010 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.137 -3.737 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.807 -4.077 -1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.503 -5.591 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.342 -4.286 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.038 -5.801 -5.982 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.488 -5.146 -4.217 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.444 -5.662 -1.588 1.00 0.00 N ATOM 1004 CA ASP A 66 -15.891 -5.603 -1.465 1.00 0.00 C ATOM 1005 C ASP A 66 -16.262 -4.676 -0.305 1.00 0.00 C ATOM 1006 O ASP A 66 -17.381 -4.169 -0.246 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.475 -6.986 -1.170 1.00 0.00 C ATOM 1008 CG ASP A 66 -16.680 -7.877 -2.397 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -16.443 -7.367 -3.514 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -17.068 -9.047 -2.191 1.00 0.00 O ATOM 0 H ASP A 66 -14.040 -6.586 -1.435 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.295 -5.234 -2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.815 -7.501 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -17.434 -6.859 -0.668 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.302 -4.484 0.587 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.515 -3.627 1.741 1.00 0.00 C ATOM 1017 C PHE A 67 -14.979 -2.217 1.483 1.00 0.00 C ATOM 1018 O PHE A 67 -15.530 -1.238 1.985 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.742 -4.247 2.907 1.00 0.00 C ATOM 1020 CG PHE A 67 -14.005 -3.227 3.778 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.698 -2.463 4.665 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.657 -3.085 3.666 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -14.014 -1.517 5.473 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -11.974 -2.139 4.474 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.666 -1.375 5.360 1.00 0.00 C ATOM 0 H PHE A 67 -14.375 -4.907 0.534 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.581 -3.549 1.955 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.436 -4.809 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.020 -4.961 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.768 -2.576 4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.107 -3.692 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.564 -0.910 6.177 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.904 -2.026 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.145 -0.655 5.974 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.912 -2.157 0.700 1.00 0.00 N ATOM 1036 CA ILE A 68 -13.297 -0.884 0.369 1.00 0.00 C ATOM 1037 C ILE A 68 -14.356 0.054 -0.214 1.00 0.00 C ATOM 1038 O ILE A 68 -14.222 1.274 -0.134 1.00 0.00 O ATOM 1039 CB ILE A 68 -12.090 -1.094 -0.547 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.866 -1.545 0.253 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.803 0.161 -1.374 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.700 -1.890 -0.676 1.00 0.00 C ATOM 0 H ILE A 68 -13.458 -2.971 0.285 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.907 -0.405 1.267 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.329 -1.894 -1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.566 -0.755 0.941 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.123 -2.414 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.940 -0.016 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.671 0.398 -1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.593 0.997 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.843 -2.207 -0.082 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.996 -2.697 -1.347 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.430 -1.012 -1.262 1.00 0.00 H new ATOM 1054 N ASP A 69 -15.384 -0.553 -0.789 1.00 0.00 N ATOM 1055 CA ASP A 69 -16.466 0.213 -1.385 1.00 0.00 C ATOM 1056 C ASP A 69 -17.380 0.743 -0.279 1.00 0.00 C ATOM 1057 O ASP A 69 -18.085 1.733 -0.473 1.00 0.00 O ATOM 1058 CB ASP A 69 -17.309 -0.660 -2.318 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.841 0.051 -3.563 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -17.087 0.889 -4.104 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -18.989 -0.260 -3.947 1.00 0.00 O ATOM 0 H ASP A 69 -15.491 -1.565 -0.855 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.026 1.031 -1.955 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.708 -1.513 -2.634 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.154 -1.056 -1.755 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.340 0.061 0.856 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.156 0.451 1.993 1.00 0.00 C ATOM 1068 C ASP A 70 -17.547 1.691 2.651 1.00 0.00 C ATOM 1069 O ASP A 70 -18.270 2.548 3.157 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.209 -0.662 3.041 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.352 -0.546 4.051 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -19.456 0.535 4.669 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -20.098 -1.541 4.181 1.00 0.00 O ATOM 0 H ASP A 70 -16.755 -0.760 1.013 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.164 0.653 1.631 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.294 -1.620 2.528 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.264 -0.674 3.584 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.223 1.747 2.622 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.509 2.868 3.210 1.00 0.00 C ATOM 1080 C LEU A 71 -16.022 4.172 2.597 1.00 0.00 C ATOM 1081 O LEU A 71 -16.665 4.158 1.548 1.00 0.00 O ATOM 1082 CB LEU A 71 -13.998 2.674 3.067 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.375 1.589 3.948 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.935 1.296 3.520 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.468 1.964 5.428 1.00 0.00 C ATOM 0 H LEU A 71 -15.627 1.035 2.201 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.701 2.922 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.779 2.439 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.507 3.621 3.290 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.945 0.670 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.515 0.522 4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.925 0.954 2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.338 2.203 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.018 1.176 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.938 2.901 5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.515 2.083 5.708 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.719 5.268 3.277 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.142 6.578 2.812 1.00 0.00 C ATOM 1099 C ALA A 72 -15.233 7.025 1.665 1.00 0.00 C ATOM 1100 O ALA A 72 -15.698 7.629 0.699 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.131 7.563 3.982 1.00 0.00 C ATOM 0 H ALA A 72 -15.186 5.276 4.146 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.162 6.539 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.448 8.546 3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.814 7.215 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.123 7.631 4.391 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.954 6.712 1.809 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.976 7.074 0.797 1.00 0.00 C ATOM 1109 C ASP A 73 -11.569 6.936 1.382 1.00 0.00 C ATOM 1110 O ASP A 73 -11.184 7.697 2.268 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.161 8.524 0.346 1.00 0.00 C ATOM 1112 CG ASP A 73 -11.925 9.168 -0.284 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.492 8.654 -1.338 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -11.440 10.160 0.302 1.00 0.00 O ATOM 0 H ASP A 73 -13.572 6.212 2.611 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.113 6.411 -0.057 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.979 8.563 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.464 9.120 1.207 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.839 5.960 0.861 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.483 5.713 1.320 1.00 0.00 C ATOM 1121 C LEU A 74 -8.493 6.266 0.294 1.00 0.00 C ATOM 1122 O LEU A 74 -8.752 6.227 -0.908 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.284 4.228 1.628 1.00 0.00 C ATOM 1124 CG LEU A 74 -7.842 3.719 1.572 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.071 4.116 2.832 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -7.803 2.209 1.328 1.00 0.00 C ATOM 0 H LEU A 74 -11.161 5.331 0.125 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.297 6.237 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.681 4.027 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.881 3.648 0.924 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.344 4.195 0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.049 3.742 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.055 5.202 2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.559 3.687 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.767 1.873 1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.323 1.696 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.291 1.981 0.380 1.00 0.00 H new ATOM 1138 N SER A 75 -7.379 6.770 0.805 1.00 0.00 N ATOM 1139 CA SER A 75 -6.349 7.331 -0.053 1.00 0.00 C ATOM 1140 C SER A 75 -4.971 7.125 0.581 1.00 0.00 C ATOM 1141 O SER A 75 -4.864 6.574 1.675 1.00 0.00 O ATOM 1142 CB SER A 75 -6.597 8.818 -0.312 1.00 0.00 C ATOM 1143 OG SER A 75 -7.660 9.028 -1.237 1.00 0.00 O ATOM 0 H SER A 75 -7.167 6.802 1.802 1.00 0.00 H new ATOM 0 HA SER A 75 -6.383 6.813 -1.011 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.831 9.316 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.686 9.276 -0.697 1.00 0.00 H new ATOM 0 HG SER A 75 -8.106 8.175 -1.422 1.00 0.00 H new ATOM 1149 N CYS A 76 -3.953 7.579 -0.135 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.587 7.451 0.344 1.00 0.00 C ATOM 1151 C CYS A 76 -1.749 8.561 -0.293 1.00 0.00 C ATOM 1152 O CYS A 76 -2.100 9.079 -1.352 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.012 6.064 0.052 1.00 0.00 C ATOM 1154 SG CYS A 76 -0.462 5.817 0.994 1.00 0.00 S ATOM 0 H CYS A 76 -4.046 8.036 -1.042 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.568 7.559 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.737 5.296 0.322 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -1.819 5.959 -1.016 1.00 0.00 H new ATOM 0 HG CYS A 76 -0.453 6.604 2.029 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.657 8.895 0.379 1.00 0.00 N ATOM 1161 CA LEU A 77 0.234 9.934 -0.109 1.00 0.00 C ATOM 1162 C LEU A 77 1.619 9.335 -0.364 1.00 0.00 C ATOM 1163 O LEU A 77 2.118 8.552 0.443 1.00 0.00 O ATOM 1164 CB LEU A 77 0.246 11.124 0.853 1.00 0.00 C ATOM 1165 CG LEU A 77 -1.043 11.946 0.920 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.623 12.170 -0.478 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -2.057 11.299 1.865 1.00 0.00 C ATOM 0 H LEU A 77 -0.369 8.464 1.258 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.124 10.326 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.470 10.754 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.062 11.788 0.568 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.802 12.927 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.539 12.757 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.898 12.706 -1.091 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.846 11.207 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.964 11.903 1.894 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.299 10.298 1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.631 11.234 2.866 1.00 0.00 H new ATOM 1179 N VAL A 78 2.199 9.726 -1.488 1.00 0.00 N ATOM 1180 CA VAL A 78 3.516 9.237 -1.860 1.00 0.00 C ATOM 1181 C VAL A 78 4.483 10.419 -1.962 1.00 0.00 C ATOM 1182 O VAL A 78 4.238 11.363 -2.711 1.00 0.00 O ATOM 1183 CB VAL A 78 3.427 8.423 -3.152 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.789 7.832 -3.522 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.366 7.328 -3.038 1.00 0.00 C ATOM 0 H VAL A 78 1.782 10.376 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 78 3.904 8.564 -1.095 1.00 0.00 H new ATOM 0 HB VAL A 78 3.126 9.098 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.698 7.258 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.508 8.638 -3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.132 7.178 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.323 6.764 -3.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.623 6.656 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.394 7.782 -2.844 1.00 0.00 H new ATOM 1195 N TYR A 79 5.563 10.327 -1.199 1.00 0.00 N ATOM 1196 CA TYR A 79 6.568 11.376 -1.195 1.00 0.00 C ATOM 1197 C TYR A 79 7.683 11.071 -2.197 1.00 0.00 C ATOM 1198 O TYR A 79 8.252 9.980 -2.185 1.00 0.00 O ATOM 1199 CB TYR A 79 7.157 11.390 0.217 1.00 0.00 C ATOM 1200 CG TYR A 79 7.815 12.716 0.604 1.00 0.00 C ATOM 1201 CD1 TYR A 79 8.997 13.100 0.004 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.227 13.528 1.552 1.00 0.00 C ATOM 1203 CE1 TYR A 79 9.617 14.348 0.368 1.00 0.00 C ATOM 1204 CE2 TYR A 79 7.846 14.776 1.916 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.011 15.124 1.306 1.00 0.00 C ATOM 1206 OH TYR A 79 9.596 16.303 1.649 1.00 0.00 O ATOM 0 H TYR A 79 5.764 9.542 -0.579 1.00 0.00 H new ATOM 0 HA TYR A 79 6.125 12.333 -1.473 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.365 11.167 0.932 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.895 10.592 0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.457 12.465 -0.738 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.302 13.227 2.021 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.542 14.660 -0.093 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.396 15.421 2.656 1.00 0.00 H new ATOM 0 HH TYR A 79 9.052 16.752 2.329 1.00 0.00 H new ATOM 1216 N ARG A 80 7.962 12.053 -3.040 1.00 0.00 N ATOM 1217 CA ARG A 80 8.999 11.904 -4.047 1.00 0.00 C ATOM 1218 C ARG A 80 10.009 13.049 -3.943 1.00 0.00 C ATOM 1219 O ARG A 80 9.744 14.158 -4.403 1.00 0.00 O ATOM 1220 CB ARG A 80 8.402 11.886 -5.455 1.00 0.00 C ATOM 1221 CG ARG A 80 7.253 12.890 -5.576 1.00 0.00 C ATOM 1222 CD ARG A 80 7.197 13.493 -6.981 1.00 0.00 C ATOM 1223 NE ARG A 80 6.744 12.472 -7.952 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.461 12.137 -8.146 1.00 0.00 C ATOM 1225 NH1 ARG A 80 4.497 12.741 -7.438 1.00 0.00 N ATOM 1226 NH2 ARG A 80 5.142 11.199 -9.049 1.00 0.00 N ATOM 0 H ARG A 80 7.488 12.956 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 80 9.502 10.954 -3.866 1.00 0.00 H new ATOM 0 HB2 ARG A 80 9.176 12.124 -6.185 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.041 10.884 -5.688 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.308 12.395 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 80 7.380 13.684 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.517 14.345 -6.993 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.181 13.866 -7.265 1.00 0.00 H new ATOM 0 HE ARG A 80 7.453 11.993 -8.508 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.740 13.455 -6.752 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.520 12.486 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.876 10.740 -9.589 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.165 10.944 -9.196 1.00 0.00 H new ATOM 1240 N ALA A 81 11.146 12.739 -3.336 1.00 0.00 N ATOM 1241 CA ALA A 81 12.196 13.729 -3.166 1.00 0.00 C ATOM 1242 C ALA A 81 12.407 14.474 -4.485 1.00 0.00 C ATOM 1243 O ALA A 81 12.857 15.619 -4.490 1.00 0.00 O ATOM 1244 CB ALA A 81 13.471 13.040 -2.675 1.00 0.00 C ATOM 0 H ALA A 81 11.363 11.817 -2.956 1.00 0.00 H new ATOM 0 HA ALA A 81 11.912 14.465 -2.414 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.259 13.782 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.276 12.550 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.788 12.297 -3.407 1.00 0.00 H new ATOM 1250 N ASP A 82 12.073 13.794 -5.572 1.00 0.00 N ATOM 1251 CA ASP A 82 12.220 14.378 -6.895 1.00 0.00 C ATOM 1252 C ASP A 82 11.710 15.820 -6.871 1.00 0.00 C ATOM 1253 O ASP A 82 12.435 16.745 -7.233 1.00 0.00 O ATOM 1254 CB ASP A 82 11.404 13.605 -7.932 1.00 0.00 C ATOM 1255 CG ASP A 82 12.228 12.757 -8.902 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.667 11.668 -8.473 1.00 0.00 O ATOM 1257 OD2 ASP A 82 12.401 13.216 -10.052 1.00 0.00 O ATOM 0 H ASP A 82 11.701 12.844 -5.564 1.00 0.00 H new ATOM 0 HA ASP A 82 13.275 14.339 -7.165 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.703 12.954 -7.409 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.810 14.315 -8.508 1.00 0.00 H new ATOM 1262 N THR A 83 10.465 15.967 -6.440 1.00 0.00 N ATOM 1263 CA THR A 83 9.849 17.280 -6.364 1.00 0.00 C ATOM 1264 C THR A 83 9.492 17.619 -4.916 1.00 0.00 C ATOM 1265 O THR A 83 9.107 18.748 -4.615 1.00 0.00 O ATOM 1266 CB THR A 83 8.644 17.293 -7.306 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.857 16.185 -6.877 1.00 0.00 O ATOM 1268 CG2 THR A 83 9.023 16.944 -8.747 1.00 0.00 C ATOM 0 H THR A 83 9.867 15.197 -6.140 1.00 0.00 H new ATOM 0 HA THR A 83 10.540 18.059 -6.686 1.00 0.00 H new ATOM 0 HB THR A 83 8.175 18.277 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.909 16.376 -7.037 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.131 16.968 -9.374 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.747 17.669 -9.119 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.461 15.946 -8.777 1.00 0.00 H new ATOM 1276 N GLN A 84 9.633 16.621 -4.056 1.00 0.00 N ATOM 1277 CA GLN A 84 9.330 16.798 -2.646 1.00 0.00 C ATOM 1278 C GLN A 84 7.858 17.173 -2.463 1.00 0.00 C ATOM 1279 O GLN A 84 7.546 18.230 -1.918 1.00 0.00 O ATOM 1280 CB GLN A 84 10.246 17.850 -2.017 1.00 0.00 C ATOM 1281 CG GLN A 84 11.693 17.357 -1.967 1.00 0.00 C ATOM 1282 CD GLN A 84 12.144 17.127 -0.523 1.00 0.00 C ATOM 1283 OE1 GLN A 84 11.892 17.922 0.368 1.00 0.00 O ATOM 1284 NE2 GLN A 84 12.823 15.998 -0.341 1.00 0.00 N ATOM 0 H GLN A 84 9.953 15.686 -4.309 1.00 0.00 H new ATOM 0 HA GLN A 84 9.511 15.853 -2.134 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.193 18.774 -2.592 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.902 18.081 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.785 16.430 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.347 18.087 -2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.000 15.376 -1.130 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.167 15.754 0.588 1.00 0.00 H new ATOM 1293 N THR A 85 6.992 16.285 -2.929 1.00 0.00 N ATOM 1294 CA THR A 85 5.560 16.509 -2.823 1.00 0.00 C ATOM 1295 C THR A 85 4.835 15.195 -2.526 1.00 0.00 C ATOM 1296 O THR A 85 5.399 14.116 -2.707 1.00 0.00 O ATOM 1297 CB THR A 85 5.091 17.183 -4.114 1.00 0.00 C ATOM 1298 OG1 THR A 85 3.825 17.742 -3.773 1.00 0.00 O ATOM 1299 CG2 THR A 85 4.767 16.174 -5.218 1.00 0.00 C ATOM 0 H THR A 85 7.254 15.409 -3.381 1.00 0.00 H new ATOM 0 HA THR A 85 5.323 17.170 -1.989 1.00 0.00 H new ATOM 0 HB THR A 85 5.861 17.870 -4.465 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.449 18.200 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.439 16.705 -6.112 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.657 15.589 -5.449 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.973 15.508 -4.880 1.00 0.00 H new ATOM 1307 N TYR A 86 3.597 15.328 -2.075 1.00 0.00 N ATOM 1308 CA TYR A 86 2.789 14.165 -1.750 1.00 0.00 C ATOM 1309 C TYR A 86 1.732 13.913 -2.828 1.00 0.00 C ATOM 1310 O TYR A 86 0.820 14.719 -3.008 1.00 0.00 O ATOM 1311 CB TYR A 86 2.087 14.493 -0.431 1.00 0.00 C ATOM 1312 CG TYR A 86 1.077 15.637 -0.532 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.507 16.946 -0.454 1.00 0.00 C ATOM 1314 CD2 TYR A 86 -0.265 15.360 -0.700 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.555 18.023 -0.548 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -1.216 16.437 -0.794 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.759 17.715 -0.714 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.657 18.732 -0.803 1.00 0.00 O ATOM 0 H TYR A 86 3.133 16.224 -1.927 1.00 0.00 H new ATOM 0 HA TYR A 86 3.412 13.273 -1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 86 1.575 13.600 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.839 14.751 0.315 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.557 17.163 -0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.601 14.336 -0.761 1.00 0.00 H new ATOM 0 HE1 TYR A 86 0.878 19.052 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.269 16.234 -0.925 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.558 18.364 -0.921 1.00 0.00 H new ATOM 1328 N GLN A 87 1.890 12.793 -3.517 1.00 0.00 N ATOM 1329 CA GLN A 87 0.961 12.426 -4.571 1.00 0.00 C ATOM 1330 C GLN A 87 -0.272 11.739 -3.978 1.00 0.00 C ATOM 1331 O GLN A 87 -0.175 10.635 -3.445 1.00 0.00 O ATOM 1332 CB GLN A 87 1.638 11.532 -5.612 1.00 0.00 C ATOM 1333 CG GLN A 87 1.065 11.785 -7.008 1.00 0.00 C ATOM 1334 CD GLN A 87 -0.337 11.188 -7.143 1.00 0.00 C ATOM 1335 OE1 GLN A 87 -0.794 10.418 -6.313 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.991 11.583 -8.231 1.00 0.00 N ATOM 0 H GLN A 87 2.648 12.127 -3.366 1.00 0.00 H new ATOM 0 HA GLN A 87 0.638 13.336 -5.076 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.711 11.721 -5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 87 1.500 10.485 -5.343 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.027 12.857 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.723 11.349 -7.759 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.550 12.230 -8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.934 11.240 -8.412 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.431 12.441 -4.093 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.681 11.911 -3.575 1.00 0.00 C ATOM 1347 C PRO A 88 -3.222 10.800 -4.477 1.00 0.00 C ATOM 1348 O PRO A 88 -3.524 11.037 -5.646 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.610 13.110 -3.486 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.005 14.173 -4.389 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.583 13.751 -4.718 1.00 0.00 C ATOM 0 HA PRO A 88 -2.566 11.440 -2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.617 12.849 -3.811 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.689 13.468 -2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.592 14.278 -5.301 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.010 15.143 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.425 13.696 -5.795 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.858 14.464 -4.325 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.328 9.612 -3.901 1.00 0.00 N ATOM 1360 CA TYR A 89 -3.828 8.464 -4.638 1.00 0.00 C ATOM 1361 C TYR A 89 -5.108 7.918 -4.002 1.00 0.00 C ATOM 1362 O TYR A 89 -5.152 7.678 -2.797 1.00 0.00 O ATOM 1363 CB TYR A 89 -2.734 7.398 -4.551 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.602 7.584 -5.562 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.813 7.297 -6.896 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.368 8.039 -5.141 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.747 7.472 -7.847 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.698 8.214 -6.093 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.456 7.922 -7.399 1.00 0.00 C ATOM 1370 OH TYR A 89 1.463 8.088 -8.298 1.00 0.00 O ATOM 0 H TYR A 89 -3.076 9.419 -2.932 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.062 8.740 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.314 7.405 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.184 6.417 -4.702 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.778 6.941 -7.226 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.202 8.264 -4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.899 7.251 -8.893 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.668 8.569 -5.777 1.00 0.00 H new ATOM 0 HH TYR A 89 2.263 8.416 -7.836 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.118 7.739 -4.841 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.395 7.226 -4.376 1.00 0.00 C ATOM 1382 C ASN A 90 -7.238 5.755 -3.987 1.00 0.00 C ATOM 1383 O ASN A 90 -6.317 5.082 -4.447 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.457 7.314 -5.473 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.400 8.495 -5.231 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -9.108 9.633 -5.559 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.544 8.161 -4.641 1.00 0.00 N ATOM 0 H ASN A 90 -6.077 7.940 -5.840 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.708 7.827 -3.522 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.974 7.423 -6.444 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.030 6.387 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.241 8.877 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.725 7.188 -4.393 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.151 5.298 -3.142 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.125 3.919 -2.686 1.00 0.00 C ATOM 1396 C LYS A 91 -7.866 2.997 -3.879 1.00 0.00 C ATOM 1397 O LYS A 91 -7.094 2.045 -3.776 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.405 3.585 -1.917 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.646 3.915 -2.749 1.00 0.00 C ATOM 1400 CD LYS A 91 -11.898 3.275 -2.144 1.00 0.00 C ATOM 1401 CE LYS A 91 -13.141 4.116 -2.439 1.00 0.00 C ATOM 1402 NZ LYS A 91 -13.827 3.619 -3.653 1.00 0.00 N ATOM 0 H LYS A 91 -8.913 5.859 -2.761 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.308 3.766 -1.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.410 2.527 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.429 4.146 -0.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.775 4.996 -2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.509 3.559 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.029 2.271 -2.548 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.773 3.170 -1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.822 4.080 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.857 5.159 -2.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.669 4.201 -3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.180 3.676 -4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.115 2.630 -3.509 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.527 3.311 -4.984 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.377 2.522 -6.195 1.00 0.00 C ATOM 1418 C ASP A 92 -6.891 2.270 -6.455 1.00 0.00 C ATOM 1419 O ASP A 92 -6.468 1.125 -6.605 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.950 3.260 -7.407 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.861 2.420 -8.304 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -10.714 1.703 -7.735 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.685 2.513 -9.538 1.00 0.00 O ATOM 0 H ASP A 92 -9.167 4.101 -5.066 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.915 1.585 -6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.510 4.126 -7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.123 3.639 -8.007 1.00 0.00 H new ATOM 1428 N TRP A 93 -6.138 3.360 -6.499 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.707 3.271 -6.738 1.00 0.00 C ATOM 1430 C TRP A 93 -4.130 2.234 -5.773 1.00 0.00 C ATOM 1431 O TRP A 93 -3.367 1.359 -6.180 1.00 0.00 O ATOM 1432 CB TRP A 93 -4.044 4.644 -6.608 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.520 4.613 -6.740 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.789 4.591 -7.863 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.563 4.603 -5.660 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.437 4.567 -7.587 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.295 4.574 -6.205 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.762 4.617 -4.268 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 0.872 4.558 -5.431 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.585 4.600 -3.509 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.698 4.571 -4.042 1.00 0.00 C ATOM 0 H TRP A 93 -6.492 4.308 -6.373 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.505 2.946 -7.759 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.451 5.307 -7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.306 5.073 -5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -2.206 4.592 -8.859 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.319 4.548 -8.272 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.744 4.639 -3.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 1.853 4.537 -5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.681 4.610 -2.433 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.557 4.559 -3.388 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.517 2.366 -4.512 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.047 1.451 -3.486 1.00 0.00 C ATOM 1454 C ILE A 94 -4.532 0.036 -3.810 1.00 0.00 C ATOM 1455 O ILE A 94 -3.732 -0.897 -3.881 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.466 1.941 -2.099 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -3.739 3.237 -1.733 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.258 0.851 -1.046 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -4.641 4.453 -1.956 1.00 0.00 C ATOM 0 H ILE A 94 -5.150 3.093 -4.178 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.958 1.420 -3.473 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.532 2.165 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.424 3.200 -0.690 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.836 3.334 -2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.564 1.226 -0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.857 -0.023 -1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.205 0.572 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.100 5.361 -1.688 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.934 4.501 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.532 4.364 -1.334 1.00 0.00 H new ATOM 1471 N LYS A 95 -5.838 -0.079 -3.998 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.438 -1.365 -4.313 1.00 0.00 C ATOM 1473 C LYS A 95 -5.550 -2.106 -5.314 1.00 0.00 C ATOM 1474 O LYS A 95 -5.459 -3.332 -5.279 1.00 0.00 O ATOM 1475 CB LYS A 95 -7.880 -1.180 -4.789 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.857 -1.233 -3.613 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.190 -0.574 -3.977 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.564 -0.862 -5.432 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.035 -0.873 -5.596 1.00 0.00 N ATOM 0 H LYS A 95 -6.498 0.697 -3.938 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.498 -1.987 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.977 -0.224 -5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.131 -1.958 -5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.027 -2.270 -3.323 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.421 -0.728 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.975 -0.943 -3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -10.122 0.503 -3.821 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.125 -0.106 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.151 -1.824 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.272 -1.070 -6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.446 -1.611 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.421 0.054 -5.325 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.918 -1.331 -6.183 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.040 -1.899 -7.192 1.00 0.00 C ATOM 1495 C GLU A 96 -2.744 -2.396 -6.549 1.00 0.00 C ATOM 1496 O GLU A 96 -2.281 -3.497 -6.845 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.748 -0.884 -8.299 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.041 -0.425 -8.976 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.573 -1.498 -9.928 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.748 -2.025 -10.706 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -6.791 -1.766 -9.857 1.00 0.00 O ATOM 0 H GLU A 96 -4.996 -0.314 -6.209 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.546 -2.750 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.227 -0.023 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.084 -1.329 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.792 -0.201 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -4.859 0.498 -9.527 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.193 -1.561 -5.679 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.960 -1.902 -4.992 1.00 0.00 C ATOM 1510 C LYS A 97 -1.199 -3.120 -4.097 1.00 0.00 C ATOM 1511 O LYS A 97 -0.604 -4.176 -4.308 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.411 -0.686 -4.242 1.00 0.00 C ATOM 1513 CG LYS A 97 0.976 -0.301 -4.762 1.00 0.00 C ATOM 1514 CD LYS A 97 0.916 0.095 -6.239 1.00 0.00 C ATOM 1515 CE LYS A 97 -0.032 1.276 -6.453 1.00 0.00 C ATOM 1516 NZ LYS A 97 -1.184 0.871 -7.290 1.00 0.00 N ATOM 0 H LYS A 97 -2.579 -0.649 -5.435 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.189 -2.180 -5.710 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.093 0.156 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.355 -0.906 -3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.371 0.528 -4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.662 -1.138 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.914 0.358 -6.589 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.583 -0.756 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.386 1.645 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.502 2.097 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.139 1.364 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.154 -0.156 -7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.070 1.121 -6.806 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.071 -2.932 -3.118 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.396 -4.002 -2.190 1.00 0.00 C ATOM 1532 C ILE A 98 -2.517 -5.319 -2.960 1.00 0.00 C ATOM 1533 O ILE A 98 -1.928 -6.326 -2.570 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.644 -3.648 -1.379 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.061 -4.811 -0.478 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.784 -3.196 -2.295 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.148 -4.378 0.509 1.00 0.00 C ATOM 0 H ILE A 98 -2.563 -2.055 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.596 -4.130 -1.461 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.401 -2.808 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.427 -5.636 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.194 -5.181 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.659 -2.950 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.472 -2.316 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.034 -3.999 -2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.426 -5.224 1.138 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.770 -3.570 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.023 -4.032 -0.042 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.284 -5.269 -4.039 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.489 -6.445 -4.867 1.00 0.00 C ATOM 1551 C TYR A 99 -2.152 -7.042 -5.312 1.00 0.00 C ATOM 1552 O TYR A 99 -1.941 -8.249 -5.206 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.255 -5.964 -6.101 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.412 -7.028 -7.190 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.306 -7.465 -7.891 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.658 -7.549 -7.471 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.454 -8.466 -8.916 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.805 -8.550 -8.496 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.696 -8.959 -9.168 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.835 -9.904 -10.136 1.00 0.00 O ATOM 0 H TYR A 99 -3.771 -4.432 -4.359 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.028 -7.214 -4.314 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.244 -5.626 -5.793 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.740 -5.101 -6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.331 -7.057 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.523 -7.206 -6.923 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.597 -8.817 -9.472 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.775 -8.967 -8.726 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.777 -10.165 -10.206 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.284 -6.169 -5.802 1.00 0.00 N ATOM 1571 CA VAL A 100 0.026 -6.595 -6.264 1.00 0.00 C ATOM 1572 C VAL A 100 0.885 -6.984 -5.059 1.00 0.00 C ATOM 1573 O VAL A 100 1.760 -7.842 -5.167 1.00 0.00 O ATOM 1574 CB VAL A 100 0.661 -5.497 -7.121 1.00 0.00 C ATOM 1575 CG1 VAL A 100 1.914 -6.013 -7.831 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.347 -4.935 -8.125 1.00 0.00 C ATOM 0 H VAL A 100 -1.462 -5.169 -5.889 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.061 -7.476 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 100 0.962 -4.685 -6.459 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.346 -5.214 -8.433 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.642 -6.343 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.648 -6.850 -8.476 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.129 -4.157 -8.721 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.692 -5.735 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.197 -4.513 -7.589 1.00 0.00 H new ATOM 1586 N LEU A 101 0.605 -6.335 -3.939 1.00 0.00 N ATOM 1587 CA LEU A 101 1.341 -6.602 -2.715 1.00 0.00 C ATOM 1588 C LEU A 101 1.173 -8.075 -2.335 1.00 0.00 C ATOM 1589 O LEU A 101 2.114 -8.709 -1.860 1.00 0.00 O ATOM 1590 CB LEU A 101 0.918 -5.630 -1.612 1.00 0.00 C ATOM 1591 CG LEU A 101 1.240 -6.060 -0.179 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.540 -5.417 0.308 1.00 0.00 C ATOM 1593 CD2 LEU A 101 0.068 -5.765 0.759 1.00 0.00 C ATOM 0 H LEU A 101 -0.122 -5.624 -3.853 1.00 0.00 H new ATOM 0 HA LEU A 101 2.407 -6.431 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.398 -4.669 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.157 -5.470 -1.689 1.00 0.00 H new ATOM 0 HG LEU A 101 1.393 -7.139 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.745 -5.739 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.362 -5.721 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.441 -4.332 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.323 -6.080 1.771 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.141 -4.695 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.814 -6.309 0.421 1.00 0.00 H new ATOM 1605 N LEU A 102 -0.034 -8.576 -2.558 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.338 -9.962 -2.245 1.00 0.00 C ATOM 1607 C LEU A 102 0.293 -10.869 -3.303 1.00 0.00 C ATOM 1608 O LEU A 102 0.787 -11.950 -2.984 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.847 -10.157 -2.089 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.507 -9.390 -0.941 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.460 -8.873 0.047 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.397 -8.265 -1.474 1.00 0.00 C ATOM 0 H LEU A 102 -0.812 -8.047 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 102 0.097 -10.240 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.330 -9.863 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.044 -11.220 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.151 -10.080 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.956 -8.332 0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -0.905 -9.714 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.772 -8.204 -0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.854 -7.736 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.794 -7.570 -2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.178 -8.687 -2.106 1.00 0.00 H new ATOM 1624 N ARG A 103 0.257 -10.397 -4.540 1.00 0.00 N ATOM 1625 CA ARG A 103 0.819 -11.152 -5.647 1.00 0.00 C ATOM 1626 C ARG A 103 2.329 -11.320 -5.462 1.00 0.00 C ATOM 1627 O ARG A 103 2.864 -12.411 -5.654 1.00 0.00 O ATOM 1628 CB ARG A 103 0.550 -10.456 -6.982 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.936 -10.125 -7.138 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.650 -11.189 -7.974 1.00 0.00 C ATOM 1631 NE ARG A 103 -1.511 -12.515 -7.331 1.00 0.00 N ATOM 1632 CZ ARG A 103 -1.519 -13.678 -7.998 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -1.659 -13.685 -9.330 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -1.387 -14.833 -7.331 1.00 0.00 N ATOM 0 H ARG A 103 -0.153 -9.500 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 103 0.339 -12.131 -5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.139 -9.541 -7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 103 0.871 -11.098 -7.802 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.402 -10.057 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.047 -9.150 -7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.705 -10.935 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.229 -11.217 -8.979 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.402 -12.546 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.759 -12.806 -9.837 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -1.665 -14.570 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.281 -14.827 -6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -1.393 -15.718 -7.838 1.00 0.00 H new ATOM 1648 N ARG A 104 2.973 -10.223 -5.092 1.00 0.00 N ATOM 1649 CA ARG A 104 4.410 -10.234 -4.880 1.00 0.00 C ATOM 1650 C ARG A 104 4.745 -10.909 -3.548 1.00 0.00 C ATOM 1651 O ARG A 104 5.776 -11.567 -3.424 1.00 0.00 O ATOM 1652 CB ARG A 104 4.979 -8.814 -4.881 1.00 0.00 C ATOM 1653 CG ARG A 104 4.659 -8.095 -3.569 1.00 0.00 C ATOM 1654 CD ARG A 104 5.141 -6.643 -3.607 1.00 0.00 C ATOM 1655 NE ARG A 104 6.539 -6.561 -3.128 1.00 0.00 N ATOM 1656 CZ ARG A 104 6.913 -6.793 -1.862 1.00 0.00 C ATOM 1657 NH1 ARG A 104 5.997 -7.124 -0.942 1.00 0.00 N ATOM 1658 NH2 ARG A 104 8.205 -6.695 -1.517 1.00 0.00 N ATOM 0 H ARG A 104 2.526 -9.320 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 104 4.861 -10.794 -5.699 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.059 -8.851 -5.026 1.00 0.00 H new ATOM 0 HB3 ARG A 104 4.564 -8.253 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.584 -8.120 -3.389 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.134 -8.618 -2.739 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.073 -6.255 -4.623 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.498 -6.021 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 104 7.262 -6.313 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.014 -7.200 -1.205 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.282 -7.300 0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 104 8.902 -6.444 -2.218 1.00 0.00 H new ATOM 0 HH22 ARG A 104 8.490 -6.871 -0.554 1.00 0.00 H new ATOM 1672 N GLN A 105 3.852 -10.723 -2.587 1.00 0.00 N ATOM 1673 CA GLN A 105 4.040 -11.306 -1.269 1.00 0.00 C ATOM 1674 C GLN A 105 4.162 -12.828 -1.374 1.00 0.00 C ATOM 1675 O GLN A 105 4.903 -13.448 -0.613 1.00 0.00 O ATOM 1676 CB GLN A 105 2.900 -10.911 -0.327 1.00 0.00 C ATOM 1677 CG GLN A 105 3.279 -9.687 0.508 1.00 0.00 C ATOM 1678 CD GLN A 105 3.207 -10.000 2.004 1.00 0.00 C ATOM 1679 OE1 GLN A 105 3.701 -11.010 2.477 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.565 -9.081 2.719 1.00 0.00 N ATOM 0 H GLN A 105 2.997 -10.177 -2.694 1.00 0.00 H new ATOM 0 HA GLN A 105 4.967 -10.915 -0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.002 -10.697 -0.907 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.662 -11.746 0.332 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.287 -9.363 0.249 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.609 -8.860 0.273 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.175 -8.258 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.463 -9.199 3.727 1.00 0.00 H new