USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 407 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 15 THR OG1 : rot 140:sc= 0.414 USER MOD Set 1.2: A 21 GLN : amide:sc= 0.587 K(o=1,f=-0.15) USER MOD Single : A 9 SER OG : rot -18:sc= 0.231 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 120:sc= -2.73 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 140:sc= 0.55 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.381 K(o=-0.38,f=-2.9!) USER MOD Single : A 66 CYS SG : rot -66:sc= -4.82! USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0883 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 9 -12.120 1.442 4.137 1.00 0.00 N ATOM 79 CA SER A 9 -11.245 0.349 3.748 1.00 0.00 C ATOM 80 C SER A 9 -12.077 -0.856 3.306 1.00 0.00 C ATOM 81 O SER A 9 -13.302 -0.844 3.419 1.00 0.00 O ATOM 82 CB SER A 9 -10.310 -0.043 4.894 1.00 0.00 C ATOM 83 OG SER A 9 -10.994 -0.103 6.143 1.00 0.00 O ATOM 0 HA SER A 9 -10.631 0.684 2.912 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.860 -1.013 4.680 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.496 0.678 4.961 1.00 0.00 H new ATOM 0 HG SER A 9 -11.837 0.392 6.078 1.00 0.00 H new ATOM 89 N LYS A 10 -11.379 -1.868 2.811 1.00 0.00 N ATOM 90 CA LYS A 10 -12.039 -3.078 2.351 1.00 0.00 C ATOM 91 C LYS A 10 -11.006 -4.200 2.224 1.00 0.00 C ATOM 92 O LYS A 10 -9.812 -3.937 2.093 1.00 0.00 O ATOM 93 CB LYS A 10 -12.815 -2.808 1.061 1.00 0.00 C ATOM 94 CG LYS A 10 -11.882 -2.317 -0.048 1.00 0.00 C ATOM 95 CD LYS A 10 -12.355 -2.806 -1.419 1.00 0.00 C ATOM 96 CE LYS A 10 -12.710 -1.628 -2.328 1.00 0.00 C ATOM 97 NZ LYS A 10 -13.918 -1.936 -3.126 1.00 0.00 N ATOM 0 H LYS A 10 -10.363 -1.875 2.719 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.781 -3.407 3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.320 -3.719 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.588 -2.063 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -11.843 -1.228 -0.040 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.869 -2.673 0.140 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.574 -3.407 -1.884 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.225 -3.452 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.882 -0.735 -1.726 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.874 -1.409 -2.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.146 -1.126 -3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.741 -2.775 -3.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.717 -2.123 -2.488 1.00 0.00 H new ATOM 111 N PRO A 11 -11.517 -5.459 2.269 1.00 0.00 N ATOM 112 CA PRO A 11 -10.652 -6.622 2.161 1.00 0.00 C ATOM 113 C PRO A 11 -10.186 -6.826 0.718 1.00 0.00 C ATOM 114 O PRO A 11 -10.983 -7.169 -0.153 1.00 0.00 O ATOM 115 CB PRO A 11 -11.484 -7.781 2.686 1.00 0.00 C ATOM 116 CG PRO A 11 -12.929 -7.314 2.633 1.00 0.00 C ATOM 117 CD PRO A 11 -12.926 -5.809 2.424 1.00 0.00 C ATOM 0 HA PRO A 11 -9.732 -6.517 2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.339 -8.673 2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.194 -8.040 3.704 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.461 -7.811 1.822 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.447 -7.570 3.557 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.503 -5.531 1.542 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.372 -5.290 3.273 1.00 0.00 H new ATOM 125 N ILE A 12 -8.896 -6.605 0.510 1.00 0.00 N ATOM 126 CA ILE A 12 -8.314 -6.760 -0.812 1.00 0.00 C ATOM 127 C ILE A 12 -7.422 -8.003 -0.829 1.00 0.00 C ATOM 128 O ILE A 12 -7.148 -8.590 0.217 1.00 0.00 O ATOM 129 CB ILE A 12 -7.591 -5.479 -1.233 1.00 0.00 C ATOM 130 CG1 ILE A 12 -6.422 -5.175 -0.293 1.00 0.00 C ATOM 131 CG2 ILE A 12 -8.567 -4.306 -1.331 1.00 0.00 C ATOM 132 CD1 ILE A 12 -5.390 -4.275 -0.975 1.00 0.00 C ATOM 0 H ILE A 12 -8.238 -6.320 1.235 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.095 -6.917 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.173 -5.634 -2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -6.793 -4.690 0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.949 -6.106 0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.027 -3.408 -1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.335 -4.533 -2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.035 -4.140 -0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.570 -4.074 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.003 -4.774 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.861 -3.335 -1.262 1.00 0.00 H new ATOM 144 N LYS A 13 -6.994 -8.369 -2.029 1.00 0.00 N ATOM 145 CA LYS A 13 -6.139 -9.532 -2.196 1.00 0.00 C ATOM 146 C LYS A 13 -4.858 -9.117 -2.923 1.00 0.00 C ATOM 147 O LYS A 13 -4.912 -8.429 -3.941 1.00 0.00 O ATOM 148 CB LYS A 13 -6.901 -10.662 -2.891 1.00 0.00 C ATOM 149 CG LYS A 13 -5.940 -11.731 -3.415 1.00 0.00 C ATOM 150 CD LYS A 13 -6.354 -13.123 -2.935 1.00 0.00 C ATOM 151 CE LYS A 13 -7.668 -13.559 -3.587 1.00 0.00 C ATOM 152 NZ LYS A 13 -8.610 -14.067 -2.565 1.00 0.00 N ATOM 0 H LYS A 13 -7.224 -7.881 -2.895 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.842 -9.929 -1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.606 -11.113 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.485 -10.257 -3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.924 -11.708 -4.505 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.927 -11.512 -3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.570 -13.842 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.465 -13.120 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.115 -12.717 -4.116 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.473 -14.334 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.496 -14.359 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.187 -14.883 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.809 -13.317 -1.873 1.00 0.00 H new ATOM 166 N VAL A 14 -3.735 -9.553 -2.371 1.00 0.00 N ATOM 167 CA VAL A 14 -2.442 -9.236 -2.953 1.00 0.00 C ATOM 168 C VAL A 14 -1.695 -10.535 -3.264 1.00 0.00 C ATOM 169 O VAL A 14 -1.344 -11.286 -2.356 1.00 0.00 O ATOM 170 CB VAL A 14 -1.662 -8.306 -2.021 1.00 0.00 C ATOM 171 CG1 VAL A 14 -0.228 -8.110 -2.517 1.00 0.00 C ATOM 172 CG2 VAL A 14 -2.377 -6.963 -1.864 1.00 0.00 C ATOM 0 H VAL A 14 -3.694 -10.123 -1.526 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.568 -8.700 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.615 -8.777 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.305 -7.445 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.279 -9.074 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.245 -7.671 -3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.802 -6.321 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.469 -6.484 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.370 -7.126 -1.444 1.00 0.00 H new ATOM 182 N THR A 15 -1.475 -10.759 -4.551 1.00 0.00 N ATOM 183 CA THR A 15 -0.776 -11.954 -4.993 1.00 0.00 C ATOM 184 C THR A 15 0.735 -11.718 -4.996 1.00 0.00 C ATOM 185 O THR A 15 1.219 -10.778 -5.625 1.00 0.00 O ATOM 186 CB THR A 15 -1.332 -12.347 -6.364 1.00 0.00 C ATOM 187 OG1 THR A 15 -2.616 -12.895 -6.074 1.00 0.00 O ATOM 188 CG2 THR A 15 -0.565 -13.510 -6.995 1.00 0.00 C ATOM 0 H THR A 15 -1.768 -10.134 -5.302 1.00 0.00 H new ATOM 0 HA THR A 15 -0.942 -12.785 -4.308 1.00 0.00 H new ATOM 0 HB THR A 15 -1.297 -11.485 -7.030 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.259 -12.599 -6.752 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.000 -13.749 -7.966 1.00 0.00 H new ATOM 0 HG22 THR A 15 0.480 -13.229 -7.125 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.628 -14.383 -6.345 1.00 0.00 H new ATOM 196 N LEU A 16 1.439 -12.587 -4.286 1.00 0.00 N ATOM 197 CA LEU A 16 2.886 -12.484 -4.198 1.00 0.00 C ATOM 198 C LEU A 16 3.489 -12.634 -5.596 1.00 0.00 C ATOM 199 O LEU A 16 2.841 -13.155 -6.503 1.00 0.00 O ATOM 200 CB LEU A 16 3.433 -13.488 -3.182 1.00 0.00 C ATOM 201 CG LEU A 16 2.930 -13.332 -1.746 1.00 0.00 C ATOM 202 CD1 LEU A 16 3.198 -14.597 -0.929 1.00 0.00 C ATOM 203 CD2 LEU A 16 3.528 -12.087 -1.087 1.00 0.00 C ATOM 0 H LEU A 16 1.034 -13.366 -3.766 1.00 0.00 H new ATOM 0 HA LEU A 16 3.177 -11.501 -3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.186 -14.493 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.520 -13.412 -3.175 1.00 0.00 H new ATOM 0 HG LEU A 16 1.849 -13.193 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.830 -14.458 0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.685 -15.442 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.270 -14.793 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.154 -12.000 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.615 -12.171 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.242 -11.202 -1.655 1.00 0.00 H new ATOM 215 N PRO A 17 4.755 -12.155 -5.731 1.00 0.00 N ATOM 216 CA PRO A 17 5.452 -12.230 -7.003 1.00 0.00 C ATOM 217 C PRO A 17 5.925 -13.657 -7.286 1.00 0.00 C ATOM 218 O PRO A 17 6.570 -13.912 -8.302 1.00 0.00 O ATOM 219 CB PRO A 17 6.597 -11.238 -6.883 1.00 0.00 C ATOM 220 CG PRO A 17 6.777 -10.987 -5.395 1.00 0.00 C ATOM 221 CD PRO A 17 5.552 -11.531 -4.679 1.00 0.00 C ATOM 0 HA PRO A 17 4.812 -11.979 -7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.509 -11.639 -7.324 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.368 -10.312 -7.410 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.680 -11.477 -5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.892 -9.921 -5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.830 -12.253 -3.912 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.998 -10.735 -4.182 1.00 0.00 H new ATOM 229 N ASP A 18 5.586 -14.551 -6.368 1.00 0.00 N ATOM 230 CA ASP A 18 5.969 -15.946 -6.506 1.00 0.00 C ATOM 231 C ASP A 18 4.755 -16.761 -6.957 1.00 0.00 C ATOM 232 O ASP A 18 4.889 -17.924 -7.336 1.00 0.00 O ATOM 233 CB ASP A 18 6.453 -16.519 -5.172 1.00 0.00 C ATOM 234 CG ASP A 18 7.616 -15.762 -4.528 1.00 0.00 C ATOM 235 OD1 ASP A 18 8.597 -15.502 -5.257 1.00 0.00 O ATOM 236 OD2 ASP A 18 7.497 -15.461 -3.320 1.00 0.00 O ATOM 0 H ASP A 18 5.051 -14.336 -5.527 1.00 0.00 H new ATOM 0 HA ASP A 18 6.775 -16.004 -7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.616 -16.531 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.754 -17.555 -5.327 1.00 0.00 H new ATOM 241 N GLY A 19 3.597 -16.119 -6.902 1.00 0.00 N ATOM 242 CA GLY A 19 2.361 -16.769 -7.301 1.00 0.00 C ATOM 243 C GLY A 19 1.405 -16.905 -6.113 1.00 0.00 C ATOM 244 O GLY A 19 0.188 -16.858 -6.283 1.00 0.00 O ATOM 0 H GLY A 19 3.489 -15.155 -6.587 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.883 -16.194 -8.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.580 -17.755 -7.711 1.00 0.00 H new ATOM 248 N LYS A 20 1.993 -17.071 -4.938 1.00 0.00 N ATOM 249 CA LYS A 20 1.210 -17.214 -3.722 1.00 0.00 C ATOM 250 C LYS A 20 0.250 -16.029 -3.597 1.00 0.00 C ATOM 251 O LYS A 20 0.390 -15.034 -4.307 1.00 0.00 O ATOM 252 CB LYS A 20 2.127 -17.393 -2.511 1.00 0.00 C ATOM 253 CG LYS A 20 2.157 -18.854 -2.057 1.00 0.00 C ATOM 254 CD LYS A 20 3.318 -19.607 -2.710 1.00 0.00 C ATOM 255 CE LYS A 20 2.906 -20.180 -4.068 1.00 0.00 C ATOM 256 NZ LYS A 20 3.969 -21.060 -4.603 1.00 0.00 N ATOM 0 H LYS A 20 3.003 -17.110 -4.802 1.00 0.00 H new ATOM 0 HA LYS A 20 0.600 -18.116 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.136 -17.066 -2.763 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.782 -16.761 -1.693 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.253 -18.900 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.215 -19.338 -2.314 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.166 -18.935 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.647 -20.414 -2.055 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.978 -20.742 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.711 -19.368 -4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.674 -21.440 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.846 -20.514 -4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.135 -21.845 -3.942 1.00 0.00 H new ATOM 270 N GLN A 21 -0.704 -16.174 -2.689 1.00 0.00 N ATOM 271 CA GLN A 21 -1.686 -15.128 -2.461 1.00 0.00 C ATOM 272 C GLN A 21 -1.688 -14.713 -0.988 1.00 0.00 C ATOM 273 O GLN A 21 -1.312 -15.497 -0.118 1.00 0.00 O ATOM 274 CB GLN A 21 -3.079 -15.577 -2.906 1.00 0.00 C ATOM 275 CG GLN A 21 -3.120 -15.822 -4.416 1.00 0.00 C ATOM 276 CD GLN A 21 -4.559 -15.813 -4.935 1.00 0.00 C ATOM 277 OE1 GLN A 21 -5.396 -16.603 -4.532 1.00 0.00 O ATOM 278 NE2 GLN A 21 -4.799 -14.876 -5.848 1.00 0.00 N ATOM 0 H GLN A 21 -0.818 -17.001 -2.102 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.411 -14.261 -3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.357 -16.489 -2.378 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.813 -14.817 -2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.540 -15.054 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.653 -16.780 -4.645 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.052 -14.246 -6.141 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.730 -14.787 -6.255 1.00 0.00 H new ATOM 287 N VAL A 22 -2.116 -13.481 -0.754 1.00 0.00 N ATOM 288 CA VAL A 22 -2.173 -12.953 0.598 1.00 0.00 C ATOM 289 C VAL A 22 -3.424 -12.085 0.751 1.00 0.00 C ATOM 290 O VAL A 22 -3.974 -11.605 -0.239 1.00 0.00 O ATOM 291 CB VAL A 22 -0.880 -12.200 0.920 1.00 0.00 C ATOM 292 CG1 VAL A 22 -0.816 -11.831 2.404 1.00 0.00 C ATOM 293 CG2 VAL A 22 0.347 -13.014 0.504 1.00 0.00 C ATOM 0 H VAL A 22 -2.427 -12.833 -1.478 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.251 -13.764 1.322 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.879 -11.275 0.344 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.112 -11.297 2.606 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.664 -11.194 2.657 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.851 -12.739 3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.252 -12.456 0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.353 -13.963 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.311 -13.204 -0.569 1.00 0.00 H new ATOM 303 N ASP A 23 -3.836 -11.911 1.998 1.00 0.00 N ATOM 304 CA ASP A 23 -5.012 -11.110 2.292 1.00 0.00 C ATOM 305 C ASP A 23 -4.572 -9.741 2.815 1.00 0.00 C ATOM 306 O ASP A 23 -3.766 -9.655 3.740 1.00 0.00 O ATOM 307 CB ASP A 23 -5.874 -11.772 3.368 1.00 0.00 C ATOM 308 CG ASP A 23 -5.140 -12.112 4.667 1.00 0.00 C ATOM 309 OD1 ASP A 23 -4.599 -13.237 4.736 1.00 0.00 O ATOM 310 OD2 ASP A 23 -5.136 -11.239 5.562 1.00 0.00 O ATOM 0 H ASP A 23 -3.377 -12.311 2.816 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.592 -11.013 1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.708 -11.110 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.300 -12.688 2.958 1.00 0.00 H new ATOM 315 N ALA A 24 -5.122 -8.704 2.200 1.00 0.00 N ATOM 316 CA ALA A 24 -4.797 -7.343 2.592 1.00 0.00 C ATOM 317 C ALA A 24 -6.070 -6.494 2.573 1.00 0.00 C ATOM 318 O ALA A 24 -7.145 -6.987 2.237 1.00 0.00 O ATOM 319 CB ALA A 24 -3.713 -6.789 1.664 1.00 0.00 C ATOM 0 H ALA A 24 -5.790 -8.779 1.433 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.400 -7.320 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.469 -5.768 1.958 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.820 -7.410 1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.077 -6.794 0.636 1.00 0.00 H new ATOM 325 N GLU A 25 -5.905 -5.231 2.939 1.00 0.00 N ATOM 326 CA GLU A 25 -7.028 -4.308 2.968 1.00 0.00 C ATOM 327 C GLU A 25 -6.620 -2.957 2.377 1.00 0.00 C ATOM 328 O GLU A 25 -5.524 -2.466 2.641 1.00 0.00 O ATOM 329 CB GLU A 25 -7.565 -4.144 4.391 1.00 0.00 C ATOM 330 CG GLU A 25 -8.388 -5.364 4.810 1.00 0.00 C ATOM 331 CD GLU A 25 -7.989 -5.841 6.208 1.00 0.00 C ATOM 332 OE1 GLU A 25 -6.766 -5.917 6.454 1.00 0.00 O ATOM 333 OE2 GLU A 25 -8.916 -6.118 7.000 1.00 0.00 O ATOM 0 H GLU A 25 -5.012 -4.825 3.218 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.830 -4.722 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.735 -4.006 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.182 -3.247 4.450 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.449 -5.114 4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.241 -6.170 4.091 1.00 0.00 H new ATOM 340 N SER A 26 -7.525 -2.395 1.589 1.00 0.00 N ATOM 341 CA SER A 26 -7.273 -1.111 0.958 1.00 0.00 C ATOM 342 C SER A 26 -7.145 -0.020 2.024 1.00 0.00 C ATOM 343 O SER A 26 -8.016 0.119 2.882 1.00 0.00 O ATOM 344 CB SER A 26 -8.383 -0.757 -0.033 1.00 0.00 C ATOM 345 OG SER A 26 -9.678 -0.874 0.551 1.00 0.00 O ATOM 0 H SER A 26 -8.434 -2.805 1.373 1.00 0.00 H new ATOM 0 HA SER A 26 -6.337 -1.180 0.404 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.238 0.262 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.316 -1.413 -0.901 1.00 0.00 H new ATOM 0 HG SER A 26 -10.130 -0.005 0.520 1.00 0.00 H new ATOM 351 N TRP A 27 -6.054 0.725 1.935 1.00 0.00 N ATOM 352 CA TRP A 27 -5.802 1.799 2.881 1.00 0.00 C ATOM 353 C TRP A 27 -5.718 1.186 4.280 1.00 0.00 C ATOM 354 O TRP A 27 -6.218 1.762 5.245 1.00 0.00 O ATOM 355 CB TRP A 27 -6.868 2.890 2.769 1.00 0.00 C ATOM 356 CG TRP A 27 -7.323 3.171 1.336 1.00 0.00 C ATOM 357 CD1 TRP A 27 -8.392 2.676 0.697 1.00 0.00 C ATOM 358 CD2 TRP A 27 -6.674 4.039 0.382 1.00 0.00 C ATOM 359 NE1 TRP A 27 -8.480 3.159 -0.592 1.00 0.00 N ATOM 360 CE2 TRP A 27 -7.402 4.014 -0.790 1.00 0.00 C ATOM 361 CE3 TRP A 27 -5.511 4.818 0.506 1.00 0.00 C ATOM 362 CZ2 TRP A 27 -7.048 4.749 -1.928 1.00 0.00 C ATOM 363 CZ3 TRP A 27 -5.170 5.547 -0.640 1.00 0.00 C ATOM 364 CH2 TRP A 27 -5.892 5.533 -1.828 1.00 0.00 C ATOM 0 H TRP A 27 -5.334 0.607 1.222 1.00 0.00 H new ATOM 0 HA TRP A 27 -4.856 2.294 2.660 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.734 2.600 3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -6.478 3.811 3.202 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.096 1.985 1.136 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -9.203 2.931 -1.274 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -4.926 4.852 1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.635 4.713 -2.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.284 6.163 -0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -5.563 6.124 -2.670 1.00 0.00 H new ATOM 375 N LYS A 28 -5.082 0.025 4.346 1.00 0.00 N ATOM 376 CA LYS A 28 -4.927 -0.672 5.611 1.00 0.00 C ATOM 377 C LYS A 28 -3.558 -1.355 5.648 1.00 0.00 C ATOM 378 O LYS A 28 -2.690 -0.971 6.429 1.00 0.00 O ATOM 379 CB LYS A 28 -6.098 -1.629 5.843 1.00 0.00 C ATOM 380 CG LYS A 28 -7.178 -0.975 6.707 1.00 0.00 C ATOM 381 CD LYS A 28 -7.910 -2.018 7.554 1.00 0.00 C ATOM 382 CE LYS A 28 -8.404 -1.410 8.868 1.00 0.00 C ATOM 383 NZ LYS A 28 -9.210 -2.394 9.624 1.00 0.00 N ATOM 0 H LYS A 28 -4.668 -0.450 3.544 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.954 0.035 6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.524 -1.926 4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.740 -2.537 6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.725 -0.227 7.357 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.892 -0.453 6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.755 -2.418 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.243 -2.854 7.764 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.553 -1.089 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.002 -0.522 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.537 -1.965 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.032 -2.680 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.628 -3.229 9.836 1.00 0.00 H new ATOM 397 N THR A 29 -3.409 -2.356 4.792 1.00 0.00 N ATOM 398 CA THR A 29 -2.161 -3.095 4.717 1.00 0.00 C ATOM 399 C THR A 29 -1.335 -2.626 3.518 1.00 0.00 C ATOM 400 O THR A 29 -1.880 -2.368 2.446 1.00 0.00 O ATOM 401 CB THR A 29 -2.497 -4.587 4.677 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.149 -4.830 5.920 1.00 0.00 O ATOM 403 CG2 THR A 29 -1.249 -5.471 4.732 1.00 0.00 C ATOM 0 H THR A 29 -4.132 -2.672 4.145 1.00 0.00 H new ATOM 0 HA THR A 29 -1.539 -2.910 5.593 1.00 0.00 H new ATOM 0 HB THR A 29 -3.058 -4.808 3.769 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.403 -5.775 5.977 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.544 -6.520 4.701 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.608 -5.249 3.879 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.705 -5.275 5.656 1.00 0.00 H new ATOM 411 N THR A 30 -0.032 -2.530 3.739 1.00 0.00 N ATOM 412 CA THR A 30 0.875 -2.097 2.689 1.00 0.00 C ATOM 413 C THR A 30 1.771 -3.256 2.246 1.00 0.00 C ATOM 414 O THR A 30 1.709 -4.345 2.814 1.00 0.00 O ATOM 415 CB THR A 30 1.657 -0.889 3.210 1.00 0.00 C ATOM 416 OG1 THR A 30 2.855 -1.452 3.739 1.00 0.00 O ATOM 417 CG2 THR A 30 0.987 -0.235 4.420 1.00 0.00 C ATOM 0 H THR A 30 0.417 -2.745 4.629 1.00 0.00 H new ATOM 0 HA THR A 30 0.330 -1.790 1.796 1.00 0.00 H new ATOM 0 HB THR A 30 1.762 -0.154 2.412 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.616 -0.879 3.507 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.582 0.616 4.750 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.011 0.105 4.144 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.911 -0.960 5.230 1.00 0.00 H new ATOM 425 N PRO A 31 2.605 -2.973 1.209 1.00 0.00 N ATOM 426 CA PRO A 31 3.512 -3.979 0.684 1.00 0.00 C ATOM 427 C PRO A 31 4.699 -4.193 1.625 1.00 0.00 C ATOM 428 O PRO A 31 5.349 -5.236 1.583 1.00 0.00 O ATOM 429 CB PRO A 31 3.924 -3.460 -0.684 1.00 0.00 C ATOM 430 CG PRO A 31 3.605 -1.974 -0.680 1.00 0.00 C ATOM 431 CD PRO A 31 2.705 -1.694 0.513 1.00 0.00 C ATOM 0 HA PRO A 31 3.048 -4.962 0.600 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.986 -3.631 -0.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 3.380 -3.974 -1.477 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.521 -1.387 -0.613 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.110 -1.687 -1.608 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.130 -0.924 1.158 1.00 0.00 H new ATOM 0 HD3 PRO A 31 1.725 -1.338 0.195 1.00 0.00 H new ATOM 439 N TYR A 32 4.945 -3.188 2.453 1.00 0.00 N ATOM 440 CA TYR A 32 6.042 -3.253 3.403 1.00 0.00 C ATOM 441 C TYR A 32 5.753 -4.274 4.506 1.00 0.00 C ATOM 442 O TYR A 32 6.670 -4.905 5.029 1.00 0.00 O ATOM 443 CB TYR A 32 6.142 -1.860 4.028 1.00 0.00 C ATOM 444 CG TYR A 32 7.437 -1.619 4.805 1.00 0.00 C ATOM 445 CD1 TYR A 32 8.658 -1.815 4.191 1.00 0.00 C ATOM 446 CD2 TYR A 32 7.386 -1.204 6.120 1.00 0.00 C ATOM 447 CE1 TYR A 32 9.877 -1.587 4.923 1.00 0.00 C ATOM 448 CE2 TYR A 32 8.605 -0.977 6.852 1.00 0.00 C ATOM 449 CZ TYR A 32 9.790 -1.179 6.217 1.00 0.00 C ATOM 450 OH TYR A 32 10.942 -0.964 6.908 1.00 0.00 O ATOM 0 H TYR A 32 4.403 -2.324 2.485 1.00 0.00 H new ATOM 0 HA TYR A 32 6.963 -3.555 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.059 -1.112 3.239 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.295 -1.712 4.698 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.699 -2.139 3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.431 -1.049 6.600 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.839 -1.737 4.455 1.00 0.00 H new ATOM 0 HE2 TYR A 32 8.579 -0.654 7.882 1.00 0.00 H new ATOM 0 HH TYR A 32 10.728 -0.675 7.820 1.00 0.00 H new ATOM 460 N GLN A 33 4.474 -4.405 4.826 1.00 0.00 N ATOM 461 CA GLN A 33 4.052 -5.338 5.857 1.00 0.00 C ATOM 462 C GLN A 33 3.826 -6.727 5.256 1.00 0.00 C ATOM 463 O GLN A 33 4.092 -7.738 5.904 1.00 0.00 O ATOM 464 CB GLN A 33 2.793 -4.837 6.568 1.00 0.00 C ATOM 465 CG GLN A 33 3.153 -3.998 7.795 1.00 0.00 C ATOM 466 CD GLN A 33 1.899 -3.409 8.444 1.00 0.00 C ATOM 467 OE1 GLN A 33 1.512 -3.768 9.544 1.00 0.00 O ATOM 468 NE2 GLN A 33 1.289 -2.488 7.704 1.00 0.00 N ATOM 0 H GLN A 33 3.716 -3.880 4.389 1.00 0.00 H new ATOM 0 HA GLN A 33 4.845 -5.410 6.601 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.195 -4.241 5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.180 -5.686 6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.685 -4.615 8.519 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.828 -3.193 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.667 -2.235 6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.443 -2.035 8.049 1.00 0.00 H new ATOM 477 N ILE A 34 3.339 -6.731 4.024 1.00 0.00 N ATOM 478 CA ILE A 34 3.075 -7.979 3.328 1.00 0.00 C ATOM 479 C ILE A 34 4.373 -8.782 3.219 1.00 0.00 C ATOM 480 O ILE A 34 4.380 -9.991 3.443 1.00 0.00 O ATOM 481 CB ILE A 34 2.404 -7.709 1.979 1.00 0.00 C ATOM 482 CG1 ILE A 34 0.936 -7.322 2.166 1.00 0.00 C ATOM 483 CG2 ILE A 34 2.568 -8.903 1.037 1.00 0.00 C ATOM 484 CD1 ILE A 34 0.104 -7.725 0.946 1.00 0.00 C ATOM 0 H ILE A 34 3.120 -5.890 3.490 1.00 0.00 H new ATOM 0 HA ILE A 34 2.369 -8.588 3.893 1.00 0.00 H new ATOM 0 HB ILE A 34 2.903 -6.860 1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.539 -7.807 3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.857 -6.247 2.326 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.082 -8.685 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.628 -9.091 0.868 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.110 -9.785 1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.936 -7.439 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.489 -7.220 0.060 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.166 -8.804 0.804 1.00 0.00 H new ATOM 663 N ILE A 48 11.647 -1.653 -3.752 1.00 0.00 N ATOM 664 CA ILE A 48 10.375 -1.051 -4.114 1.00 0.00 C ATOM 665 C ILE A 48 9.379 -2.153 -4.478 1.00 0.00 C ATOM 666 O ILE A 48 9.760 -3.177 -5.045 1.00 0.00 O ATOM 667 CB ILE A 48 10.570 -0.010 -5.218 1.00 0.00 C ATOM 668 CG1 ILE A 48 10.845 1.374 -4.625 1.00 0.00 C ATOM 669 CG2 ILE A 48 9.378 0.004 -6.176 1.00 0.00 C ATOM 670 CD1 ILE A 48 9.714 1.803 -3.687 1.00 0.00 C ATOM 0 HA ILE A 48 9.956 -0.509 -3.266 1.00 0.00 H new ATOM 0 HB ILE A 48 11.447 -0.291 -5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.789 1.359 -4.080 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.953 2.103 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.543 0.753 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.270 -0.978 -6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.470 0.247 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.934 2.790 -3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.776 1.840 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.625 1.085 -2.872 1.00 0.00 H new ATOM 682 N ALA A 49 8.122 -1.907 -4.138 1.00 0.00 N ATOM 683 CA ALA A 49 7.068 -2.867 -4.421 1.00 0.00 C ATOM 684 C ALA A 49 6.198 -2.339 -5.563 1.00 0.00 C ATOM 685 O ALA A 49 5.853 -1.158 -5.591 1.00 0.00 O ATOM 686 CB ALA A 49 6.262 -3.131 -3.148 1.00 0.00 C ATOM 0 H ALA A 49 7.810 -1.057 -3.669 1.00 0.00 H new ATOM 0 HA ALA A 49 7.491 -3.819 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.472 -3.851 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.920 -3.532 -2.377 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.819 -2.199 -2.798 1.00 0.00 H new ATOM 692 N LYS A 50 5.867 -3.238 -6.478 1.00 0.00 N ATOM 693 CA LYS A 50 5.044 -2.878 -7.619 1.00 0.00 C ATOM 694 C LYS A 50 3.594 -3.281 -7.344 1.00 0.00 C ATOM 695 O LYS A 50 3.314 -4.442 -7.047 1.00 0.00 O ATOM 696 CB LYS A 50 5.616 -3.479 -8.904 1.00 0.00 C ATOM 697 CG LYS A 50 6.719 -2.590 -9.482 1.00 0.00 C ATOM 698 CD LYS A 50 7.113 -3.049 -10.887 1.00 0.00 C ATOM 699 CE LYS A 50 7.759 -1.908 -11.676 1.00 0.00 C ATOM 700 NZ LYS A 50 9.137 -2.270 -12.077 1.00 0.00 N ATOM 0 H LYS A 50 6.155 -4.216 -6.452 1.00 0.00 H new ATOM 0 HA LYS A 50 5.052 -1.798 -7.769 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.015 -4.472 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.820 -3.601 -9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.377 -1.556 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.591 -2.616 -8.829 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.807 -3.887 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.231 -3.408 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.163 -1.687 -12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.777 -1.003 -11.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.561 -1.485 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.707 -2.459 -11.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.113 -3.121 -12.674 1.00 0.00 H new ATOM 714 N VAL A 51 2.709 -2.301 -7.453 1.00 0.00 N ATOM 715 CA VAL A 51 1.295 -2.539 -7.220 1.00 0.00 C ATOM 716 C VAL A 51 0.531 -2.379 -8.536 1.00 0.00 C ATOM 717 O VAL A 51 0.287 -1.260 -8.984 1.00 0.00 O ATOM 718 CB VAL A 51 0.783 -1.612 -6.115 1.00 0.00 C ATOM 719 CG1 VAL A 51 -0.744 -1.644 -6.037 1.00 0.00 C ATOM 720 CG2 VAL A 51 1.409 -1.970 -4.766 1.00 0.00 C ATOM 0 H VAL A 51 2.944 -1.340 -7.700 1.00 0.00 H new ATOM 0 HA VAL A 51 1.132 -3.559 -6.872 1.00 0.00 H new ATOM 0 HB VAL A 51 1.084 -0.595 -6.364 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.082 -0.977 -5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.164 -1.318 -6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.076 -2.660 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.029 -1.296 -3.998 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.153 -2.997 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.493 -1.872 -4.830 1.00 0.00 H new ATOM 730 N ASN A 52 0.175 -3.515 -9.118 1.00 0.00 N ATOM 731 CA ASN A 52 -0.556 -3.515 -10.374 1.00 0.00 C ATOM 732 C ASN A 52 0.415 -3.239 -11.524 1.00 0.00 C ATOM 733 O ASN A 52 0.014 -2.735 -12.572 1.00 0.00 O ATOM 734 CB ASN A 52 -1.627 -2.423 -10.388 1.00 0.00 C ATOM 735 CG ASN A 52 -2.853 -2.867 -11.188 1.00 0.00 C ATOM 736 OD1 ASN A 52 -3.668 -3.680 -10.523 1.00 0.00 O flip ATOM 737 ND2 ASN A 52 -3.045 -2.496 -12.335 1.00 0.00 N flip ATOM 0 H ASN A 52 0.379 -4.441 -8.743 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.032 -4.489 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -1.922 -2.185 -9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.216 -1.511 -10.822 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.378 -1.870 -12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -3.872 -2.812 -12.841 1.00 0.00 H new ATOM 744 N ASN A 53 1.673 -3.582 -11.289 1.00 0.00 N ATOM 745 CA ASN A 53 2.704 -3.378 -12.293 1.00 0.00 C ATOM 746 C ASN A 53 3.155 -1.917 -12.265 1.00 0.00 C ATOM 747 O ASN A 53 3.706 -1.414 -13.243 1.00 0.00 O ATOM 748 CB ASN A 53 2.175 -3.683 -13.696 1.00 0.00 C ATOM 749 CG ASN A 53 3.189 -4.501 -14.498 1.00 0.00 C ATOM 750 OD1 ASN A 53 4.227 -4.909 -14.004 1.00 0.00 O ATOM 751 ND2 ASN A 53 2.831 -4.718 -15.761 1.00 0.00 N ATOM 0 H ASN A 53 2.002 -4.000 -10.418 1.00 0.00 H new ATOM 0 HA ASN A 53 3.533 -4.049 -12.066 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.236 -4.232 -13.623 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.960 -2.751 -14.218 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.440 -5.255 -16.379 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.948 -4.348 -16.111 1.00 0.00 H new ATOM 758 N VAL A 54 2.903 -1.275 -11.133 1.00 0.00 N ATOM 759 CA VAL A 54 3.276 0.119 -10.965 1.00 0.00 C ATOM 760 C VAL A 54 4.028 0.286 -9.643 1.00 0.00 C ATOM 761 O VAL A 54 3.654 -0.308 -8.633 1.00 0.00 O ATOM 762 CB VAL A 54 2.035 1.009 -11.063 1.00 0.00 C ATOM 763 CG1 VAL A 54 0.916 0.306 -11.834 1.00 0.00 C ATOM 764 CG2 VAL A 54 1.558 1.439 -9.674 1.00 0.00 C ATOM 0 H VAL A 54 2.445 -1.695 -10.324 1.00 0.00 H new ATOM 0 HA VAL A 54 3.948 0.433 -11.764 1.00 0.00 H new ATOM 0 HB VAL A 54 2.309 1.907 -11.616 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.046 0.960 -11.889 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.259 0.073 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.645 -0.617 -11.321 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.675 2.071 -9.772 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.309 0.556 -9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.350 1.997 -9.174 1.00 0.00 H new ATOM 774 N VAL A 55 5.075 1.096 -9.692 1.00 0.00 N ATOM 775 CA VAL A 55 5.883 1.348 -8.511 1.00 0.00 C ATOM 776 C VAL A 55 4.975 1.794 -7.363 1.00 0.00 C ATOM 777 O VAL A 55 4.162 2.703 -7.527 1.00 0.00 O ATOM 778 CB VAL A 55 6.981 2.364 -8.835 1.00 0.00 C ATOM 779 CG1 VAL A 55 7.625 2.901 -7.555 1.00 0.00 C ATOM 780 CG2 VAL A 55 8.033 1.756 -9.765 1.00 0.00 C ATOM 0 H VAL A 55 5.383 1.587 -10.532 1.00 0.00 H new ATOM 0 HA VAL A 55 6.387 0.436 -8.191 1.00 0.00 H new ATOM 0 HB VAL A 55 6.519 3.203 -9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.402 3.621 -7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.866 3.389 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.066 2.076 -6.996 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.802 2.498 -9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 55 8.489 0.891 -9.283 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.559 1.445 -10.696 1.00 0.00 H new ATOM 790 N TRP A 56 5.144 1.134 -6.227 1.00 0.00 N ATOM 791 CA TRP A 56 4.350 1.452 -5.052 1.00 0.00 C ATOM 792 C TRP A 56 5.296 1.543 -3.853 1.00 0.00 C ATOM 793 O TRP A 56 6.039 0.604 -3.572 1.00 0.00 O ATOM 794 CB TRP A 56 3.230 0.428 -4.854 1.00 0.00 C ATOM 795 CG TRP A 56 1.960 1.008 -4.229 1.00 0.00 C ATOM 796 CD1 TRP A 56 1.606 1.016 -2.937 1.00 0.00 C ATOM 797 CD2 TRP A 56 0.883 1.669 -4.927 1.00 0.00 C ATOM 798 NE1 TRP A 56 0.384 1.631 -2.751 1.00 0.00 N ATOM 799 CE2 TRP A 56 -0.069 2.041 -4.000 1.00 0.00 C ATOM 800 CE3 TRP A 56 0.719 1.944 -6.296 1.00 0.00 C ATOM 801 CZ2 TRP A 56 -1.252 2.708 -4.340 1.00 0.00 C ATOM 802 CZ3 TRP A 56 -0.468 2.611 -6.620 1.00 0.00 C ATOM 803 CH2 TRP A 56 -1.437 2.992 -5.699 1.00 0.00 C ATOM 0 H TRP A 56 5.819 0.381 -6.095 1.00 0.00 H new ATOM 0 HA TRP A 56 3.848 2.412 -5.173 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.979 -0.012 -5.819 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.598 -0.380 -4.221 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.202 0.594 -2.141 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.098 1.761 -1.861 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.451 1.663 -7.039 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -1.982 2.988 -3.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -0.644 2.846 -7.659 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.328 3.505 -6.030 1.00 0.00 H new ATOM 814 N ASP A 57 5.236 2.681 -3.178 1.00 0.00 N ATOM 815 CA ASP A 57 6.078 2.906 -2.015 1.00 0.00 C ATOM 816 C ASP A 57 5.691 1.920 -0.911 1.00 0.00 C ATOM 817 O ASP A 57 4.514 1.605 -0.740 1.00 0.00 O ATOM 818 CB ASP A 57 5.894 4.323 -1.468 1.00 0.00 C ATOM 819 CG ASP A 57 6.731 5.399 -2.163 1.00 0.00 C ATOM 820 OD1 ASP A 57 7.363 5.053 -3.185 1.00 0.00 O ATOM 821 OD2 ASP A 57 6.721 6.542 -1.657 1.00 0.00 O ATOM 0 H ASP A 57 4.618 3.457 -3.414 1.00 0.00 H new ATOM 0 HA ASP A 57 7.116 2.768 -2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.841 4.594 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.141 4.321 -0.406 1.00 0.00 H new ATOM 826 N LEU A 58 6.703 1.460 -0.191 1.00 0.00 N ATOM 827 CA LEU A 58 6.483 0.515 0.891 1.00 0.00 C ATOM 828 C LEU A 58 5.643 1.183 1.982 1.00 0.00 C ATOM 829 O LEU A 58 4.773 0.547 2.576 1.00 0.00 O ATOM 830 CB LEU A 58 7.816 -0.041 1.396 1.00 0.00 C ATOM 831 CG LEU A 58 8.825 -0.446 0.319 1.00 0.00 C ATOM 832 CD1 LEU A 58 10.209 0.134 0.618 1.00 0.00 C ATOM 833 CD2 LEU A 58 8.865 -1.966 0.149 1.00 0.00 C ATOM 0 H LEU A 58 7.678 1.724 -0.335 1.00 0.00 H new ATOM 0 HA LEU A 58 5.919 -0.347 0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.280 0.708 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.611 -0.911 2.020 1.00 0.00 H new ATOM 0 HG LEU A 58 8.498 -0.024 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.907 -0.169 -0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.149 1.222 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 58 10.559 -0.237 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.590 -2.227 -0.622 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.155 -2.430 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.879 -2.325 -0.144 1.00 0.00 H new ATOM 845 N ASP A 59 5.932 2.455 2.212 1.00 0.00 N ATOM 846 CA ASP A 59 5.214 3.215 3.220 1.00 0.00 C ATOM 847 C ASP A 59 3.919 3.760 2.616 1.00 0.00 C ATOM 848 O ASP A 59 3.625 4.948 2.736 1.00 0.00 O ATOM 849 CB ASP A 59 6.044 4.404 3.709 1.00 0.00 C ATOM 850 CG ASP A 59 7.055 4.078 4.810 1.00 0.00 C ATOM 851 OD1 ASP A 59 7.919 3.213 4.549 1.00 0.00 O ATOM 852 OD2 ASP A 59 6.941 4.700 5.888 1.00 0.00 O ATOM 0 H ASP A 59 6.654 2.979 1.717 1.00 0.00 H new ATOM 0 HA ASP A 59 5.007 2.550 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.579 4.828 2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.366 5.175 4.076 1.00 0.00 H new ATOM 857 N ARG A 60 3.178 2.865 1.978 1.00 0.00 N ATOM 858 CA ARG A 60 1.921 3.240 1.355 1.00 0.00 C ATOM 859 C ARG A 60 1.022 2.013 1.191 1.00 0.00 C ATOM 860 O ARG A 60 1.427 1.019 0.591 1.00 0.00 O ATOM 861 CB ARG A 60 2.155 3.879 -0.016 1.00 0.00 C ATOM 862 CG ARG A 60 0.932 4.683 -0.462 1.00 0.00 C ATOM 863 CD ARG A 60 1.352 5.983 -1.151 1.00 0.00 C ATOM 864 NE ARG A 60 0.241 6.959 -1.111 1.00 0.00 N ATOM 865 CZ ARG A 60 0.395 8.280 -1.279 1.00 0.00 C ATOM 866 NH1 ARG A 60 1.614 8.790 -1.500 1.00 0.00 N ATOM 867 NH2 ARG A 60 -0.671 9.091 -1.226 1.00 0.00 N ATOM 0 H ARG A 60 3.425 1.880 1.880 1.00 0.00 H new ATOM 0 HA ARG A 60 1.434 3.967 2.004 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.027 4.531 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.372 3.103 -0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.328 4.085 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.307 4.910 0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.230 6.399 -0.657 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.633 5.782 -2.185 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.701 6.605 -0.945 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.425 8.173 -1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.731 9.795 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.599 8.703 -1.058 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.554 10.096 -1.354 1.00 0.00 H new ATOM 881 N PRO A 61 -0.213 2.127 1.749 1.00 0.00 N ATOM 882 CA PRO A 61 -1.173 1.039 1.670 1.00 0.00 C ATOM 883 C PRO A 61 -1.777 0.941 0.268 1.00 0.00 C ATOM 884 O PRO A 61 -1.968 1.955 -0.402 1.00 0.00 O ATOM 885 CB PRO A 61 -2.206 1.347 2.742 1.00 0.00 C ATOM 886 CG PRO A 61 -2.045 2.824 3.063 1.00 0.00 C ATOM 887 CD PRO A 61 -0.727 3.290 2.466 1.00 0.00 C ATOM 0 HA PRO A 61 -0.718 0.064 1.843 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.214 1.132 2.387 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.043 0.734 3.629 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.875 3.397 2.650 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.053 2.983 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.874 4.136 1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.034 3.615 3.242 1.00 0.00 H new ATOM 895 N LEU A 62 -2.062 -0.289 -0.134 1.00 0.00 N ATOM 896 CA LEU A 62 -2.641 -0.533 -1.445 1.00 0.00 C ATOM 897 C LEU A 62 -3.997 0.170 -1.537 1.00 0.00 C ATOM 898 O LEU A 62 -4.476 0.734 -0.555 1.00 0.00 O ATOM 899 CB LEU A 62 -2.705 -2.034 -1.731 1.00 0.00 C ATOM 900 CG LEU A 62 -1.464 -2.843 -1.350 1.00 0.00 C ATOM 901 CD1 LEU A 62 -0.194 -2.004 -1.502 1.00 0.00 C ATOM 902 CD2 LEU A 62 -1.600 -3.426 0.058 1.00 0.00 C ATOM 0 H LEU A 62 -1.903 -1.127 0.425 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.009 -0.110 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.562 -2.449 -1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.892 -2.173 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.380 -3.683 -2.040 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.673 -2.603 -1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.094 -1.679 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.255 -1.131 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.704 -3.996 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.723 -2.616 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.470 -4.082 0.098 1.00 0.00 H new ATOM 914 N GLU A 63 -4.578 0.112 -2.726 1.00 0.00 N ATOM 915 CA GLU A 63 -5.869 0.735 -2.960 1.00 0.00 C ATOM 916 C GLU A 63 -6.949 -0.333 -3.144 1.00 0.00 C ATOM 917 O GLU A 63 -8.092 -0.143 -2.733 1.00 0.00 O ATOM 918 CB GLU A 63 -5.815 1.674 -4.167 1.00 0.00 C ATOM 919 CG GLU A 63 -5.056 2.958 -3.828 1.00 0.00 C ATOM 920 CD GLU A 63 -5.259 4.018 -4.914 1.00 0.00 C ATOM 921 OE1 GLU A 63 -4.688 3.825 -6.008 1.00 0.00 O ATOM 922 OE2 GLU A 63 -5.982 4.996 -4.624 1.00 0.00 O ATOM 0 H GLU A 63 -4.178 -0.357 -3.538 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.124 1.335 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.330 1.170 -5.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.828 1.919 -4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.399 3.345 -2.868 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.993 2.739 -3.722 1.00 0.00 H new ATOM 929 N GLU A 64 -6.547 -1.434 -3.764 1.00 0.00 N ATOM 930 CA GLU A 64 -7.466 -2.533 -4.008 1.00 0.00 C ATOM 931 C GLU A 64 -6.705 -3.757 -4.520 1.00 0.00 C ATOM 932 O GLU A 64 -5.486 -3.713 -4.679 1.00 0.00 O ATOM 933 CB GLU A 64 -8.565 -2.121 -4.989 1.00 0.00 C ATOM 934 CG GLU A 64 -7.988 -1.863 -6.382 1.00 0.00 C ATOM 935 CD GLU A 64 -8.658 -0.654 -7.039 1.00 0.00 C ATOM 936 OE1 GLU A 64 -8.430 0.465 -6.532 1.00 0.00 O ATOM 937 OE2 GLU A 64 -9.383 -0.878 -8.032 1.00 0.00 O ATOM 0 H GLU A 64 -5.598 -1.588 -4.104 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.946 -2.796 -3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.321 -2.905 -5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.063 -1.222 -4.626 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.914 -1.692 -6.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.129 -2.745 -7.007 1.00 0.00 H new ATOM 944 N ASP A 65 -7.455 -4.821 -4.763 1.00 0.00 N ATOM 945 CA ASP A 65 -6.867 -6.056 -5.254 1.00 0.00 C ATOM 946 C ASP A 65 -5.920 -5.739 -6.413 1.00 0.00 C ATOM 947 O ASP A 65 -6.352 -5.255 -7.458 1.00 0.00 O ATOM 948 CB ASP A 65 -7.943 -7.012 -5.771 1.00 0.00 C ATOM 949 CG ASP A 65 -9.011 -6.366 -6.656 1.00 0.00 C ATOM 950 OD1 ASP A 65 -8.757 -5.232 -7.115 1.00 0.00 O ATOM 951 OD2 ASP A 65 -10.058 -7.021 -6.852 1.00 0.00 O ATOM 0 H ASP A 65 -8.466 -4.854 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.334 -6.527 -4.428 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.459 -7.809 -6.335 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.434 -7.479 -4.917 1.00 0.00 H new ATOM 956 N CYS A 66 -4.646 -6.025 -6.189 1.00 0.00 N ATOM 957 CA CYS A 66 -3.634 -5.777 -7.202 1.00 0.00 C ATOM 958 C CYS A 66 -2.495 -6.777 -6.999 1.00 0.00 C ATOM 959 O CYS A 66 -2.498 -7.540 -6.034 1.00 0.00 O ATOM 960 CB CYS A 66 -3.137 -4.330 -7.163 1.00 0.00 C ATOM 961 SG CYS A 66 -2.796 -3.833 -5.435 1.00 0.00 S ATOM 0 H CYS A 66 -4.291 -6.426 -5.321 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.066 -5.917 -8.193 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.233 -4.231 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -3.885 -3.668 -7.600 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.908 -3.814 -4.762 1.00 0.00 H new ATOM 967 N THR A 67 -1.546 -6.742 -7.924 1.00 0.00 N ATOM 968 CA THR A 67 -0.403 -7.636 -7.858 1.00 0.00 C ATOM 969 C THR A 67 0.778 -6.942 -7.176 1.00 0.00 C ATOM 970 O THR A 67 1.076 -5.785 -7.469 1.00 0.00 O ATOM 971 CB THR A 67 -0.091 -8.110 -9.279 1.00 0.00 C ATOM 972 OG1 THR A 67 -0.224 -6.935 -10.074 1.00 0.00 O ATOM 973 CG2 THR A 67 -1.162 -9.055 -9.829 1.00 0.00 C ATOM 0 H THR A 67 -1.546 -6.108 -8.723 1.00 0.00 H new ATOM 0 HA THR A 67 -0.621 -8.513 -7.248 1.00 0.00 H new ATOM 0 HB THR A 67 0.877 -8.612 -9.290 1.00 0.00 H new ATOM 0 HG1 THR A 67 -0.037 -7.151 -11.011 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.892 -9.362 -10.840 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.234 -9.935 -9.190 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.124 -8.542 -9.850 1.00 0.00 H new ATOM 981 N LEU A 68 1.419 -7.678 -6.280 1.00 0.00 N ATOM 982 CA LEU A 68 2.560 -7.148 -5.555 1.00 0.00 C ATOM 983 C LEU A 68 3.839 -7.815 -6.067 1.00 0.00 C ATOM 984 O LEU A 68 3.882 -9.032 -6.240 1.00 0.00 O ATOM 985 CB LEU A 68 2.352 -7.295 -4.046 1.00 0.00 C ATOM 986 CG LEU A 68 3.550 -6.935 -3.165 1.00 0.00 C ATOM 987 CD1 LEU A 68 3.979 -5.484 -3.391 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.253 -7.222 -1.692 1.00 0.00 C ATOM 0 H LEU A 68 1.169 -8.637 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 68 2.663 -6.078 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.510 -6.669 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.070 -8.327 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 68 4.389 -7.568 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.832 -5.253 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.259 -5.346 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.152 -4.818 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.121 -6.957 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.394 -6.632 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.032 -8.282 -1.565 1.00 0.00 H new ATOM 1000 N GLU A 69 4.849 -6.989 -6.294 1.00 0.00 N ATOM 1001 CA GLU A 69 6.125 -7.483 -6.782 1.00 0.00 C ATOM 1002 C GLU A 69 7.273 -6.660 -6.194 1.00 0.00 C ATOM 1003 O GLU A 69 7.431 -5.485 -6.522 1.00 0.00 O ATOM 1004 CB GLU A 69 6.169 -7.471 -8.311 1.00 0.00 C ATOM 1005 CG GLU A 69 7.536 -7.927 -8.824 1.00 0.00 C ATOM 1006 CD GLU A 69 7.472 -8.288 -10.310 1.00 0.00 C ATOM 1007 OE1 GLU A 69 6.672 -9.190 -10.640 1.00 0.00 O ATOM 1008 OE2 GLU A 69 8.224 -7.655 -11.081 1.00 0.00 O ATOM 0 H GLU A 69 4.810 -5.980 -6.149 1.00 0.00 H new ATOM 0 HA GLU A 69 6.241 -8.517 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.392 -8.125 -8.706 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.956 -6.466 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.269 -7.135 -8.670 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.874 -8.790 -8.251 1.00 0.00 H new ATOM 1015 N LEU A 70 8.046 -7.310 -5.336 1.00 0.00 N ATOM 1016 CA LEU A 70 9.175 -6.653 -4.700 1.00 0.00 C ATOM 1017 C LEU A 70 10.272 -6.414 -5.739 1.00 0.00 C ATOM 1018 O LEU A 70 10.471 -7.231 -6.637 1.00 0.00 O ATOM 1019 CB LEU A 70 9.644 -7.453 -3.483 1.00 0.00 C ATOM 1020 CG LEU A 70 8.577 -7.762 -2.432 1.00 0.00 C ATOM 1021 CD1 LEU A 70 7.554 -6.628 -2.338 1.00 0.00 C ATOM 1022 CD2 LEU A 70 7.912 -9.112 -2.706 1.00 0.00 C ATOM 0 H LEU A 70 7.912 -8.285 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 70 8.881 -5.676 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.065 -8.396 -3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.452 -6.903 -3.001 1.00 0.00 H new ATOM 0 HG LEU A 70 9.066 -7.835 -1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.807 -6.874 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.060 -5.704 -2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.065 -6.498 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.157 -9.307 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.439 -9.092 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.665 -9.900 -2.681 1.00 0.00 H new ATOM 1034 N LEU A 71 10.957 -5.290 -5.583 1.00 0.00 N ATOM 1035 CA LEU A 71 12.029 -4.933 -6.496 1.00 0.00 C ATOM 1036 C LEU A 71 13.371 -5.053 -5.772 1.00 0.00 C ATOM 1037 O LEU A 71 13.432 -4.947 -4.548 1.00 0.00 O ATOM 1038 CB LEU A 71 11.778 -3.551 -7.102 1.00 0.00 C ATOM 1039 CG LEU A 71 10.476 -3.389 -7.889 1.00 0.00 C ATOM 1040 CD1 LEU A 71 10.345 -1.971 -8.447 1.00 0.00 C ATOM 1041 CD2 LEU A 71 10.363 -4.450 -8.986 1.00 0.00 C ATOM 0 H LEU A 71 10.790 -4.615 -4.837 1.00 0.00 H new ATOM 0 HA LEU A 71 12.058 -5.624 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.786 -2.816 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.611 -3.309 -7.762 1.00 0.00 H new ATOM 0 HG LEU A 71 9.642 -3.543 -7.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.411 -1.883 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.348 -1.255 -7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 71 11.183 -1.763 -9.112 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.429 -4.312 -9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 71 11.202 -4.352 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.378 -5.442 -8.535 1.00 0.00 H new