USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 649 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 62 CYS SG : rot -112:sc= 1.05 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.0741 USER MOD Single : A 14 SER OG : rot 65:sc= 1.28 USER MOD Single : A 17 SER OG : rot -97:sc= 1.16 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 31 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.071) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -85:sc= 1.05 USER MOD Single : A 44 SER OG : rot -102:sc= 0.82 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -91:sc= 0.787 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= -0.0397 X(o=-0.04,f=-0.058) USER MOD Single : A 67 GLN : amide:sc= 0.897 K(o=0.9,f=-8.4!) USER MOD Single : A 69 THR OG1 : rot -78:sc= 1.04 USER MOD Single : A 72 SER OG : rot 106:sc= 1.24 USER MOD Single : A 74 MET CE :methyl -162:sc= -0.242 (180deg=-0.634) USER MOD Single : A 76 ASN : amide:sc= -0.558 K(o=-0.56,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.368 K(o=-0.37,f=-4.3!) USER MOD Single : A 83 SER OG : rot 78:sc= 0.161 USER MOD Single : A 91 ASN : amide:sc= 1.27 K(o=1.3,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 9 10.622 4.602 -11.942 1.00 0.00 N ATOM 121 CA PRO A 9 9.721 5.749 -11.903 1.00 0.00 C ATOM 122 C PRO A 9 8.283 5.329 -12.175 1.00 0.00 C ATOM 123 O PRO A 9 7.346 5.878 -11.596 1.00 0.00 O ATOM 124 CB PRO A 9 10.266 6.652 -13.014 1.00 0.00 C ATOM 125 CG PRO A 9 11.721 6.334 -13.065 1.00 0.00 C ATOM 126 CD PRO A 9 11.787 4.847 -12.836 1.00 0.00 C ATOM 0 HA PRO A 9 9.691 6.242 -10.931 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.780 6.447 -13.968 1.00 0.00 H new ATOM 0 HB3 PRO A 9 10.096 7.705 -12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.154 6.608 -14.027 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.274 6.879 -12.300 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.706 4.290 -13.769 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.726 4.551 -12.368 1.00 0.00 H new ATOM 134 N ALA A 10 8.114 4.352 -13.060 1.00 0.00 N ATOM 135 CA ALA A 10 6.787 3.891 -13.449 1.00 0.00 C ATOM 136 C ALA A 10 6.035 3.309 -12.260 1.00 0.00 C ATOM 137 O ALA A 10 4.842 3.557 -12.085 1.00 0.00 O ATOM 138 CB ALA A 10 6.889 2.862 -14.566 1.00 0.00 C ATOM 0 H ALA A 10 8.881 3.864 -13.522 1.00 0.00 H new ATOM 0 HA ALA A 10 6.226 4.752 -13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 10 5.890 2.528 -14.845 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.376 3.311 -15.431 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.474 2.009 -14.223 1.00 0.00 H new ATOM 144 N VAL A 11 6.740 2.532 -11.444 1.00 0.00 N ATOM 145 CA VAL A 11 6.152 1.948 -10.244 1.00 0.00 C ATOM 146 C VAL A 11 5.872 3.014 -9.192 1.00 0.00 C ATOM 147 O VAL A 11 4.835 2.989 -8.530 1.00 0.00 O ATOM 148 CB VAL A 11 7.092 0.882 -9.653 1.00 0.00 C ATOM 149 CG1 VAL A 11 6.559 0.383 -8.318 1.00 0.00 C ATOM 150 CG2 VAL A 11 7.252 -0.269 -10.634 1.00 0.00 C ATOM 0 H VAL A 11 7.720 2.292 -11.592 1.00 0.00 H new ATOM 0 HA VAL A 11 5.208 1.484 -10.530 1.00 0.00 H new ATOM 0 HB VAL A 11 8.070 1.330 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.236 -0.370 -7.915 1.00 0.00 H new ATOM 0 HG12 VAL A 11 6.487 1.217 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.572 -0.056 -8.462 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.919 -1.019 -10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.278 -0.718 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.674 0.104 -11.567 1.00 0.00 H new ATOM 160 N ASP A 12 6.803 3.950 -9.044 1.00 0.00 N ATOM 161 CA ASP A 12 6.641 5.049 -8.100 1.00 0.00 C ATOM 162 C ASP A 12 5.396 5.868 -8.417 1.00 0.00 C ATOM 163 O ASP A 12 4.623 6.211 -7.523 1.00 0.00 O ATOM 164 CB ASP A 12 7.874 5.957 -8.116 1.00 0.00 C ATOM 165 CG ASP A 12 7.867 6.985 -6.992 1.00 0.00 C ATOM 166 OD1 ASP A 12 8.052 6.601 -5.862 1.00 0.00 O ATOM 167 OD2 ASP A 12 7.678 8.143 -7.276 1.00 0.00 O ATOM 0 H ASP A 12 7.679 3.969 -9.567 1.00 0.00 H new ATOM 0 HA ASP A 12 6.527 4.617 -7.106 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.772 5.344 -8.035 1.00 0.00 H new ATOM 0 HB3 ASP A 12 7.926 6.474 -9.074 1.00 0.00 H new ATOM 172 N ARG A 13 5.209 6.179 -9.695 1.00 0.00 N ATOM 173 CA ARG A 13 4.031 6.916 -10.139 1.00 0.00 C ATOM 174 C ARG A 13 2.766 6.086 -9.970 1.00 0.00 C ATOM 175 O ARG A 13 1.716 6.606 -9.592 1.00 0.00 O ATOM 176 CB ARG A 13 4.175 7.325 -11.598 1.00 0.00 C ATOM 177 CG ARG A 13 5.238 8.379 -11.865 1.00 0.00 C ATOM 178 CD ARG A 13 5.284 8.761 -13.299 1.00 0.00 C ATOM 179 NE ARG A 13 4.167 9.615 -13.669 1.00 0.00 N ATOM 180 CZ ARG A 13 3.689 9.751 -14.922 1.00 0.00 C ATOM 181 NH1 ARG A 13 4.240 9.083 -15.911 1.00 0.00 N ATOM 182 NH2 ARG A 13 2.667 10.554 -15.155 1.00 0.00 N ATOM 0 H ARG A 13 5.858 5.932 -10.442 1.00 0.00 H new ATOM 0 HA ARG A 13 3.950 7.809 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.407 6.438 -12.188 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.215 7.701 -11.952 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.035 9.262 -11.259 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.212 7.999 -11.558 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.221 9.278 -13.507 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.273 7.862 -13.915 1.00 0.00 H new ATOM 0 HE ARG A 13 3.713 10.149 -12.928 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.029 8.462 -15.730 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.879 9.185 -16.859 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.239 11.071 -14.387 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.305 10.657 -16.103 1.00 0.00 H new ATOM 196 N SER A 14 2.871 4.792 -10.253 1.00 0.00 N ATOM 197 CA SER A 14 1.744 3.879 -10.097 1.00 0.00 C ATOM 198 C SER A 14 1.243 3.863 -8.659 1.00 0.00 C ATOM 199 O SER A 14 0.039 3.797 -8.411 1.00 0.00 O ATOM 200 CB SER A 14 2.145 2.479 -10.518 1.00 0.00 C ATOM 201 OG SER A 14 2.428 2.428 -11.889 1.00 0.00 O ATOM 0 H SER A 14 3.726 4.351 -10.592 1.00 0.00 H new ATOM 0 HA SER A 14 0.935 4.231 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.020 2.161 -9.951 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.342 1.781 -10.283 1.00 0.00 H new ATOM 0 HG SER A 14 3.216 2.978 -12.081 1.00 0.00 H new ATOM 207 N LEU A 15 2.174 3.925 -7.713 1.00 0.00 N ATOM 208 CA LEU A 15 1.826 3.982 -6.298 1.00 0.00 C ATOM 209 C LEU A 15 1.162 5.307 -5.947 1.00 0.00 C ATOM 210 O LEU A 15 0.136 5.337 -5.267 1.00 0.00 O ATOM 211 CB LEU A 15 3.079 3.787 -5.436 1.00 0.00 C ATOM 212 CG LEU A 15 2.860 3.852 -3.919 1.00 0.00 C ATOM 213 CD1 LEU A 15 1.883 2.762 -3.499 1.00 0.00 C ATOM 214 CD2 LEU A 15 4.194 3.694 -3.205 1.00 0.00 C ATOM 0 H LEU A 15 3.176 3.937 -7.901 1.00 0.00 H new ATOM 0 HA LEU A 15 1.118 3.178 -6.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.518 2.820 -5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.809 4.548 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 15 2.436 4.818 -3.646 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.728 2.808 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.931 2.910 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.290 1.786 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.038 3.740 -2.127 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.635 2.732 -3.467 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.867 4.496 -3.509 1.00 0.00 H new ATOM 226 N ARG A 16 1.753 6.401 -6.414 1.00 0.00 N ATOM 227 CA ARG A 16 1.310 7.736 -6.028 1.00 0.00 C ATOM 228 C ARG A 16 0.095 8.169 -6.837 1.00 0.00 C ATOM 229 O ARG A 16 -0.571 9.147 -6.499 1.00 0.00 O ATOM 230 CB ARG A 16 2.430 8.748 -6.219 1.00 0.00 C ATOM 231 CG ARG A 16 3.572 8.634 -5.222 1.00 0.00 C ATOM 232 CD ARG A 16 4.549 9.743 -5.377 1.00 0.00 C ATOM 233 NE ARG A 16 5.379 9.573 -6.559 1.00 0.00 N ATOM 234 CZ ARG A 16 5.197 10.228 -7.722 1.00 0.00 C ATOM 235 NH1 ARG A 16 4.213 11.091 -7.844 1.00 0.00 N ATOM 236 NH2 ARG A 16 6.008 10.003 -8.741 1.00 0.00 N ATOM 0 H ARG A 16 2.541 6.390 -7.061 1.00 0.00 H new ATOM 0 HA ARG A 16 1.034 7.697 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.833 8.636 -7.226 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.009 9.751 -6.154 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.172 8.640 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.080 7.679 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.015 10.691 -5.442 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.183 9.794 -4.492 1.00 0.00 H new ATOM 0 HE ARG A 16 6.153 8.911 -6.504 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.587 11.265 -7.058 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.076 11.587 -8.725 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.772 9.333 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.870 10.499 -9.622 1.00 0.00 H new ATOM 250 N SER A 17 -0.190 7.434 -7.907 1.00 0.00 N ATOM 251 CA SER A 17 -1.348 7.719 -8.746 1.00 0.00 C ATOM 252 C SER A 17 -2.500 6.773 -8.435 1.00 0.00 C ATOM 253 O SER A 17 -2.306 5.723 -7.822 1.00 0.00 O ATOM 254 CB SER A 17 -0.971 7.608 -10.210 1.00 0.00 C ATOM 255 OG SER A 17 -0.660 6.284 -10.549 1.00 0.00 O ATOM 0 H SER A 17 0.366 6.636 -8.214 1.00 0.00 H new ATOM 0 HA SER A 17 -1.675 8.737 -8.533 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.795 7.962 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.116 8.251 -10.419 1.00 0.00 H new ATOM 0 HG SER A 17 0.311 6.157 -10.513 1.00 0.00 H new ATOM 261 N VAL A 18 -3.701 7.151 -8.861 1.00 0.00 N ATOM 262 CA VAL A 18 -4.875 6.303 -8.693 1.00 0.00 C ATOM 263 C VAL A 18 -5.615 6.119 -10.011 1.00 0.00 C ATOM 264 O VAL A 18 -5.475 6.926 -10.931 1.00 0.00 O ATOM 265 CB VAL A 18 -5.831 6.915 -7.652 1.00 0.00 C ATOM 266 CG1 VAL A 18 -5.134 7.055 -6.306 1.00 0.00 C ATOM 267 CG2 VAL A 18 -6.335 8.264 -8.141 1.00 0.00 C ATOM 0 H VAL A 18 -3.887 8.040 -9.325 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.532 5.328 -8.347 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.685 6.250 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.824 7.489 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.814 6.073 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.264 7.704 -6.412 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.011 8.691 -7.400 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.490 8.936 -8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.866 8.134 -9.084 1.00 0.00 H new ATOM 277 N PHE A 19 -6.404 5.054 -10.098 1.00 0.00 N ATOM 278 CA PHE A 19 -7.248 4.818 -11.263 1.00 0.00 C ATOM 279 C PHE A 19 -8.689 5.231 -10.992 1.00 0.00 C ATOM 280 O PHE A 19 -9.297 4.794 -10.014 1.00 0.00 O ATOM 281 CB PHE A 19 -7.202 3.343 -11.666 1.00 0.00 C ATOM 282 CG PHE A 19 -8.053 3.014 -12.860 1.00 0.00 C ATOM 283 CD1 PHE A 19 -7.925 3.732 -14.039 1.00 0.00 C ATOM 284 CD2 PHE A 19 -8.983 1.987 -12.806 1.00 0.00 C ATOM 285 CE1 PHE A 19 -8.707 3.431 -15.138 1.00 0.00 C ATOM 286 CE2 PHE A 19 -9.765 1.683 -13.903 1.00 0.00 C ATOM 287 CZ PHE A 19 -9.627 2.406 -15.070 1.00 0.00 C ATOM 0 H PHE A 19 -6.477 4.339 -9.374 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.862 5.427 -12.081 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -6.170 3.066 -11.880 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.526 2.735 -10.822 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.206 4.536 -14.099 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.097 1.418 -11.895 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.598 3.999 -16.050 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.484 0.879 -13.847 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.238 2.170 -15.928 1.00 0.00 H new ATOM 297 N VAL A 20 -9.232 6.074 -11.863 1.00 0.00 N ATOM 298 CA VAL A 20 -10.568 6.623 -11.668 1.00 0.00 C ATOM 299 C VAL A 20 -11.537 6.099 -12.720 1.00 0.00 C ATOM 300 O VAL A 20 -11.216 6.056 -13.908 1.00 0.00 O ATOM 301 CB VAL A 20 -10.529 8.161 -11.731 1.00 0.00 C ATOM 302 CG1 VAL A 20 -11.915 8.740 -11.489 1.00 0.00 C ATOM 303 CG2 VAL A 20 -9.535 8.696 -10.711 1.00 0.00 C ATOM 0 H VAL A 20 -8.766 6.392 -12.713 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.916 6.307 -10.684 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.205 8.466 -12.726 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.868 9.828 -11.537 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.601 8.372 -12.252 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.270 8.435 -10.504 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.513 9.785 -10.761 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -9.837 8.385 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.542 8.302 -10.929 1.00 0.00 H new ATOM 313 N GLY A 21 -12.726 5.702 -12.278 1.00 0.00 N ATOM 314 CA GLY A 21 -13.764 5.231 -13.187 1.00 0.00 C ATOM 315 C GLY A 21 -15.094 5.916 -12.906 1.00 0.00 C ATOM 316 O GLY A 21 -15.202 6.732 -11.990 1.00 0.00 O ATOM 0 H GLY A 21 -12.995 5.697 -11.294 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.464 5.423 -14.217 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.879 4.152 -13.084 1.00 0.00 H new ATOM 320 N ASN A 22 -16.106 5.581 -13.699 1.00 0.00 N ATOM 321 CA ASN A 22 -17.419 6.202 -13.571 1.00 0.00 C ATOM 322 C ASN A 22 -17.341 7.706 -13.801 1.00 0.00 C ATOM 323 O ASN A 22 -18.008 8.483 -13.118 1.00 0.00 O ATOM 324 CB ASN A 22 -18.022 5.900 -12.212 1.00 0.00 C ATOM 325 CG ASN A 22 -18.305 4.436 -12.018 1.00 0.00 C ATOM 326 OD1 ASN A 22 -18.507 3.696 -12.988 1.00 0.00 O ATOM 327 ND2 ASN A 22 -18.323 4.003 -10.783 1.00 0.00 N ATOM 0 H ASN A 22 -16.042 4.881 -14.439 1.00 0.00 H new ATOM 0 HA ASN A 22 -18.067 5.779 -14.339 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.341 6.241 -11.432 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -18.948 6.464 -12.096 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -18.509 3.019 -10.590 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -18.151 4.650 -10.013 1.00 0.00 H new ATOM 334 N ILE A 23 -16.523 8.111 -14.766 1.00 0.00 N ATOM 335 CA ILE A 23 -16.377 9.521 -15.106 1.00 0.00 C ATOM 336 C ILE A 23 -17.405 9.946 -16.148 1.00 0.00 C ATOM 337 O ILE A 23 -17.509 9.339 -17.214 1.00 0.00 O ATOM 338 CB ILE A 23 -14.961 9.816 -15.632 1.00 0.00 C ATOM 339 CG1 ILE A 23 -13.919 9.541 -14.544 1.00 0.00 C ATOM 340 CG2 ILE A 23 -14.862 11.255 -16.115 1.00 0.00 C ATOM 341 CD1 ILE A 23 -12.492 9.585 -15.039 1.00 0.00 C ATOM 0 H ILE A 23 -15.950 7.481 -15.328 1.00 0.00 H new ATOM 0 HA ILE A 23 -16.545 10.093 -14.194 1.00 0.00 H new ATOM 0 HB ILE A 23 -14.761 9.156 -16.476 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.039 10.273 -13.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -14.112 8.561 -14.109 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.854 11.447 -16.484 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -15.580 11.419 -16.919 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -15.081 11.932 -15.289 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.813 9.381 -14.211 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.353 8.833 -15.816 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.279 10.573 -15.447 1.00 0.00 H new ATOM 353 N PRO A 24 -18.163 10.990 -15.832 1.00 0.00 N ATOM 354 CA PRO A 24 -19.119 11.556 -16.777 1.00 0.00 C ATOM 355 C PRO A 24 -18.448 11.898 -18.101 1.00 0.00 C ATOM 356 O PRO A 24 -17.373 12.497 -18.127 1.00 0.00 O ATOM 357 CB PRO A 24 -19.615 12.812 -16.054 1.00 0.00 C ATOM 358 CG PRO A 24 -19.444 12.494 -14.608 1.00 0.00 C ATOM 359 CD PRO A 24 -18.159 11.711 -14.546 1.00 0.00 C ATOM 0 HA PRO A 24 -19.925 10.871 -17.039 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -19.036 13.690 -16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -20.657 13.025 -16.294 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -19.386 13.401 -14.006 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -20.283 11.912 -14.227 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -17.291 12.363 -14.449 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -18.141 11.027 -13.697 1.00 0.00 H new ATOM 367 N TYR A 25 -19.089 11.515 -19.200 1.00 0.00 N ATOM 368 CA TYR A 25 -18.547 11.764 -20.530 1.00 0.00 C ATOM 369 C TYR A 25 -18.530 13.254 -20.847 1.00 0.00 C ATOM 370 O TYR A 25 -17.677 13.729 -21.596 1.00 0.00 O ATOM 371 CB TYR A 25 -19.353 11.006 -21.587 1.00 0.00 C ATOM 372 CG TYR A 25 -19.231 9.501 -21.485 1.00 0.00 C ATOM 373 CD1 TYR A 25 -18.482 8.934 -20.464 1.00 0.00 C ATOM 374 CD2 TYR A 25 -19.867 8.689 -22.412 1.00 0.00 C ATOM 375 CE1 TYR A 25 -18.371 7.560 -20.370 1.00 0.00 C ATOM 376 CE2 TYR A 25 -19.755 7.316 -22.318 1.00 0.00 C ATOM 377 CZ TYR A 25 -19.011 6.751 -21.302 1.00 0.00 C ATOM 378 OH TYR A 25 -18.900 5.383 -21.209 1.00 0.00 O ATOM 0 H TYR A 25 -19.986 11.030 -19.195 1.00 0.00 H new ATOM 0 HA TYR A 25 -17.519 11.403 -20.546 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -20.403 11.283 -21.497 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -19.024 11.322 -22.577 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -17.986 9.567 -19.743 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -20.450 9.130 -23.207 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -17.789 7.116 -19.576 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -20.250 6.684 -23.040 1.00 0.00 H new ATOM 0 HH TYR A 25 -19.407 4.964 -21.935 1.00 0.00 H new ATOM 388 N GLU A 26 -19.478 13.987 -20.273 1.00 0.00 N ATOM 389 CA GLU A 26 -19.580 15.423 -20.501 1.00 0.00 C ATOM 390 C GLU A 26 -18.501 16.180 -19.736 1.00 0.00 C ATOM 391 O GLU A 26 -18.280 17.369 -19.969 1.00 0.00 O ATOM 392 CB GLU A 26 -20.963 15.932 -20.089 1.00 0.00 C ATOM 393 CG GLU A 26 -21.324 15.664 -18.635 1.00 0.00 C ATOM 394 CD GLU A 26 -21.923 14.302 -18.423 1.00 0.00 C ATOM 395 OE1 GLU A 26 -21.647 13.424 -19.205 1.00 0.00 O ATOM 396 OE2 GLU A 26 -22.658 14.138 -17.478 1.00 0.00 O ATOM 0 H GLU A 26 -20.188 13.609 -19.645 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.436 15.602 -21.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.010 17.006 -20.270 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.713 15.467 -20.729 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.430 15.762 -18.020 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.029 16.423 -18.295 1.00 0.00 H new ATOM 403 N ALA A 27 -17.832 15.484 -18.824 1.00 0.00 N ATOM 404 CA ALA A 27 -16.752 16.081 -18.046 1.00 0.00 C ATOM 405 C ALA A 27 -15.499 16.262 -18.892 1.00 0.00 C ATOM 406 O ALA A 27 -15.196 15.438 -19.755 1.00 0.00 O ATOM 407 CB ALA A 27 -16.446 15.228 -16.823 1.00 0.00 C ATOM 0 H ALA A 27 -18.018 14.505 -18.605 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.080 17.066 -17.715 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -15.638 15.686 -16.253 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.336 15.156 -16.198 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.144 14.230 -17.142 1.00 0.00 H new ATOM 413 N THR A 28 -14.772 17.346 -18.640 1.00 0.00 N ATOM 414 CA THR A 28 -13.562 17.649 -19.394 1.00 0.00 C ATOM 415 C THR A 28 -12.313 17.350 -18.575 1.00 0.00 C ATOM 416 O THR A 28 -12.394 17.086 -17.376 1.00 0.00 O ATOM 417 CB THR A 28 -13.544 19.122 -19.844 1.00 0.00 C ATOM 418 OG1 THR A 28 -13.443 19.974 -18.696 1.00 0.00 O ATOM 419 CG2 THR A 28 -14.813 19.460 -20.612 1.00 0.00 C ATOM 0 H THR A 28 -15.001 18.030 -17.918 1.00 0.00 H new ATOM 0 HA THR A 28 -13.564 17.010 -20.277 1.00 0.00 H new ATOM 0 HB THR A 28 -12.684 19.277 -20.496 1.00 0.00 H new ATOM 0 HG1 THR A 28 -13.430 20.911 -18.984 1.00 0.00 H new ATOM 0 HG21 THR A 28 -14.783 20.505 -20.922 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.886 18.822 -21.493 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.680 19.296 -19.972 1.00 0.00 H new ATOM 427 N GLU A 29 -11.158 17.392 -19.231 1.00 0.00 N ATOM 428 CA GLU A 29 -9.887 17.149 -18.559 1.00 0.00 C ATOM 429 C GLU A 29 -9.601 18.222 -17.516 1.00 0.00 C ATOM 430 O GLU A 29 -9.104 17.927 -16.429 1.00 0.00 O ATOM 431 CB GLU A 29 -8.746 17.098 -19.578 1.00 0.00 C ATOM 432 CG GLU A 29 -8.757 15.867 -20.473 1.00 0.00 C ATOM 433 CD GLU A 29 -7.670 15.888 -21.511 1.00 0.00 C ATOM 434 OE1 GLU A 29 -7.022 16.899 -21.644 1.00 0.00 O ATOM 435 OE2 GLU A 29 -7.488 14.893 -22.172 1.00 0.00 O ATOM 0 H GLU A 29 -11.076 17.592 -20.228 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.958 16.187 -18.051 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.795 17.988 -20.205 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.796 17.136 -19.044 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.646 14.975 -19.856 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.725 15.794 -20.969 1.00 0.00 H new ATOM 442 N GLU A 30 -9.919 19.467 -17.853 1.00 0.00 N ATOM 443 CA GLU A 30 -9.735 20.581 -16.931 1.00 0.00 C ATOM 444 C GLU A 30 -10.687 20.478 -15.746 1.00 0.00 C ATOM 445 O GLU A 30 -10.324 20.805 -14.616 1.00 0.00 O ATOM 446 CB GLU A 30 -9.947 21.913 -17.654 1.00 0.00 C ATOM 447 CG GLU A 30 -8.868 22.254 -18.672 1.00 0.00 C ATOM 448 CD GLU A 30 -9.138 23.540 -19.402 1.00 0.00 C ATOM 449 OE1 GLU A 30 -10.209 24.076 -19.246 1.00 0.00 O ATOM 450 OE2 GLU A 30 -8.273 23.988 -20.116 1.00 0.00 O ATOM 0 H GLU A 30 -10.306 19.730 -18.759 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.713 20.537 -16.555 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.912 21.888 -18.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.996 22.711 -16.913 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.906 22.325 -18.164 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.788 21.442 -19.395 1.00 0.00 H new ATOM 457 N GLN A 31 -11.906 20.023 -16.011 1.00 0.00 N ATOM 458 CA GLN A 31 -12.894 19.818 -14.958 1.00 0.00 C ATOM 459 C GLN A 31 -12.447 18.731 -13.989 1.00 0.00 C ATOM 460 O GLN A 31 -12.576 18.879 -12.773 1.00 0.00 O ATOM 461 CB GLN A 31 -14.253 19.454 -15.561 1.00 0.00 C ATOM 462 CG GLN A 31 -15.373 19.331 -14.543 1.00 0.00 C ATOM 463 CD GLN A 31 -15.695 20.655 -13.874 1.00 0.00 C ATOM 464 OE1 GLN A 31 -15.937 21.662 -14.545 1.00 0.00 O ATOM 465 NE2 GLN A 31 -15.699 20.660 -12.546 1.00 0.00 N ATOM 0 H GLN A 31 -12.235 19.789 -16.948 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.990 20.752 -14.405 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.526 20.211 -16.296 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.159 18.509 -16.097 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.267 18.949 -15.035 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.091 18.602 -13.783 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.493 19.803 -12.032 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.908 21.521 -12.040 1.00 0.00 H new ATOM 474 N LEU A 32 -11.922 17.639 -14.533 1.00 0.00 N ATOM 475 CA LEU A 32 -11.407 16.547 -13.715 1.00 0.00 C ATOM 476 C LEU A 32 -10.222 17.001 -12.873 1.00 0.00 C ATOM 477 O LEU A 32 -10.087 16.611 -11.713 1.00 0.00 O ATOM 478 CB LEU A 32 -10.987 15.370 -14.606 1.00 0.00 C ATOM 479 CG LEU A 32 -12.134 14.590 -15.261 1.00 0.00 C ATOM 480 CD1 LEU A 32 -11.564 13.589 -16.256 1.00 0.00 C ATOM 481 CD2 LEU A 32 -12.950 13.888 -14.186 1.00 0.00 C ATOM 0 H LEU A 32 -11.842 17.486 -15.538 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.204 16.228 -13.044 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.334 15.748 -15.392 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.396 14.677 -14.007 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.790 15.274 -15.799 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -12.379 13.035 -16.722 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.001 14.120 -17.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.904 12.895 -15.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.765 13.334 -14.652 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.310 13.198 -13.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.360 14.628 -13.499 1.00 0.00 H new ATOM 493 N LYS A 33 -9.366 17.829 -13.462 1.00 0.00 N ATOM 494 CA LYS A 33 -8.242 18.411 -12.739 1.00 0.00 C ATOM 495 C LYS A 33 -8.711 19.143 -11.488 1.00 0.00 C ATOM 496 O LYS A 33 -8.129 18.993 -10.414 1.00 0.00 O ATOM 497 CB LYS A 33 -7.458 19.363 -13.643 1.00 0.00 C ATOM 498 CG LYS A 33 -6.226 19.978 -12.993 1.00 0.00 C ATOM 499 CD LYS A 33 -5.486 20.889 -13.960 1.00 0.00 C ATOM 500 CE LYS A 33 -4.272 21.528 -13.302 1.00 0.00 C ATOM 501 NZ LYS A 33 -3.551 22.440 -14.231 1.00 0.00 N ATOM 0 H LYS A 33 -9.430 18.112 -14.440 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.587 17.596 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.150 18.823 -14.538 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.121 20.165 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.523 20.545 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.558 19.186 -12.653 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.170 20.316 -14.832 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.160 21.668 -14.317 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.589 22.085 -12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.592 20.748 -12.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.731 22.854 -13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.226 21.904 -15.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.191 23.200 -14.538 1.00 0.00 H new ATOM 515 N ASP A 34 -9.767 19.937 -11.634 1.00 0.00 N ATOM 516 CA ASP A 34 -10.353 20.648 -10.505 1.00 0.00 C ATOM 517 C ASP A 34 -10.934 19.678 -9.484 1.00 0.00 C ATOM 518 O ASP A 34 -10.724 19.829 -8.281 1.00 0.00 O ATOM 519 CB ASP A 34 -11.444 21.609 -10.983 1.00 0.00 C ATOM 520 CG ASP A 34 -10.885 22.823 -11.714 1.00 0.00 C ATOM 521 OD1 ASP A 34 -9.706 23.063 -11.612 1.00 0.00 O ATOM 522 OD2 ASP A 34 -11.644 23.498 -12.368 1.00 0.00 O ATOM 0 H ASP A 34 -10.235 20.104 -12.525 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.558 21.219 -10.026 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.127 21.076 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.027 21.944 -10.125 1.00 0.00 H new ATOM 527 N ILE A 35 -11.666 18.682 -9.972 1.00 0.00 N ATOM 528 CA ILE A 35 -12.288 17.691 -9.103 1.00 0.00 C ATOM 529 C ILE A 35 -11.245 16.952 -8.275 1.00 0.00 C ATOM 530 O ILE A 35 -11.451 16.690 -7.090 1.00 0.00 O ATOM 531 CB ILE A 35 -13.106 16.677 -9.923 1.00 0.00 C ATOM 532 CG1 ILE A 35 -14.321 17.360 -10.558 1.00 0.00 C ATOM 533 CG2 ILE A 35 -13.544 15.514 -9.047 1.00 0.00 C ATOM 534 CD1 ILE A 35 -15.305 17.914 -9.553 1.00 0.00 C ATOM 0 H ILE A 35 -11.843 18.540 -10.966 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.957 18.226 -8.428 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.474 16.287 -10.721 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.976 18.171 -11.199 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.835 16.643 -11.199 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.121 14.807 -9.643 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.665 15.014 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.160 15.887 -8.229 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -16.137 18.382 -10.079 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -15.680 17.105 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -14.808 18.656 -8.928 1.00 0.00 H new ATOM 546 N PHE A 36 -10.125 16.618 -8.905 1.00 0.00 N ATOM 547 CA PHE A 36 -9.099 15.804 -8.265 1.00 0.00 C ATOM 548 C PHE A 36 -8.215 16.647 -7.355 1.00 0.00 C ATOM 549 O PHE A 36 -7.925 16.260 -6.223 1.00 0.00 O ATOM 550 CB PHE A 36 -8.236 15.106 -9.318 1.00 0.00 C ATOM 551 CG PHE A 36 -8.995 14.136 -10.178 1.00 0.00 C ATOM 552 CD1 PHE A 36 -10.219 13.631 -9.765 1.00 0.00 C ATOM 553 CD2 PHE A 36 -8.487 13.727 -11.402 1.00 0.00 C ATOM 554 CE1 PHE A 36 -10.918 12.739 -10.555 1.00 0.00 C ATOM 555 CE2 PHE A 36 -9.184 12.836 -12.194 1.00 0.00 C ATOM 556 CZ PHE A 36 -10.401 12.342 -11.770 1.00 0.00 C ATOM 0 H PHE A 36 -9.904 16.899 -9.860 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.604 15.053 -7.658 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.777 15.861 -9.956 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.426 14.576 -8.817 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -10.630 13.939 -8.815 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.535 14.110 -11.740 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.870 12.353 -10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.777 12.526 -13.145 1.00 0.00 H new ATOM 0 HZ PHE A 36 -10.947 11.646 -12.389 1.00 0.00 H new ATOM 566 N SER A 37 -7.790 17.802 -7.856 1.00 0.00 N ATOM 567 CA SER A 37 -6.876 18.666 -7.119 1.00 0.00 C ATOM 568 C SER A 37 -7.546 19.249 -5.881 1.00 0.00 C ATOM 569 O SER A 37 -6.879 19.586 -4.903 1.00 0.00 O ATOM 570 CB SER A 37 -6.382 19.787 -8.013 1.00 0.00 C ATOM 571 OG SER A 37 -7.432 20.644 -8.370 1.00 0.00 O ATOM 0 H SER A 37 -8.064 18.161 -8.770 1.00 0.00 H new ATOM 0 HA SER A 37 -6.029 18.061 -6.796 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.605 20.352 -7.498 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.929 19.368 -8.911 1.00 0.00 H new ATOM 0 HG SER A 37 -7.895 20.285 -9.156 1.00 0.00 H new ATOM 577 N GLU A 38 -8.868 19.366 -5.930 1.00 0.00 N ATOM 578 CA GLU A 38 -9.636 19.862 -4.795 1.00 0.00 C ATOM 579 C GLU A 38 -9.330 19.066 -3.533 1.00 0.00 C ATOM 580 O GLU A 38 -9.280 19.620 -2.435 1.00 0.00 O ATOM 581 CB GLU A 38 -11.135 19.801 -5.097 1.00 0.00 C ATOM 582 CG GLU A 38 -12.022 20.358 -3.993 1.00 0.00 C ATOM 583 CD GLU A 38 -13.481 20.355 -4.356 1.00 0.00 C ATOM 584 OE1 GLU A 38 -13.801 19.950 -5.448 1.00 0.00 O ATOM 585 OE2 GLU A 38 -14.277 20.758 -3.541 1.00 0.00 O ATOM 0 H GLU A 38 -9.431 19.124 -6.745 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.347 20.899 -4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.331 20.353 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.414 18.764 -5.282 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.877 19.770 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.712 21.378 -3.765 1.00 0.00 H new ATOM 592 N VAL A 39 -9.126 17.763 -3.696 1.00 0.00 N ATOM 593 CA VAL A 39 -9.075 16.848 -2.562 1.00 0.00 C ATOM 594 C VAL A 39 -7.691 16.230 -2.415 1.00 0.00 C ATOM 595 O VAL A 39 -7.533 15.175 -1.801 1.00 0.00 O ATOM 596 CB VAL A 39 -10.118 15.727 -2.733 1.00 0.00 C ATOM 597 CG1 VAL A 39 -11.526 16.303 -2.715 1.00 0.00 C ATOM 598 CG2 VAL A 39 -9.861 14.973 -4.029 1.00 0.00 C ATOM 0 H VAL A 39 -8.993 17.317 -4.604 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.298 17.422 -1.663 1.00 0.00 H new ATOM 0 HB VAL A 39 -10.027 15.030 -1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.250 15.498 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -11.701 16.807 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.637 17.018 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -10.602 14.182 -4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -9.933 15.662 -4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.864 14.534 -4.003 1.00 0.00 H new ATOM 608 N GLY A 40 -6.689 16.894 -2.981 1.00 0.00 N ATOM 609 CA GLY A 40 -5.301 16.479 -2.811 1.00 0.00 C ATOM 610 C GLY A 40 -4.422 17.029 -3.926 1.00 0.00 C ATOM 611 O GLY A 40 -4.857 17.149 -5.072 1.00 0.00 O ATOM 0 H GLY A 40 -6.812 17.723 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.930 16.827 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.243 15.391 -2.801 1.00 0.00 H new ATOM 615 N PRO A 41 -3.181 17.361 -3.585 1.00 0.00 N ATOM 616 CA PRO A 41 -2.233 17.886 -4.560 1.00 0.00 C ATOM 617 C PRO A 41 -2.035 16.913 -5.715 1.00 0.00 C ATOM 618 O PRO A 41 -1.622 15.771 -5.514 1.00 0.00 O ATOM 619 CB PRO A 41 -0.951 18.055 -3.738 1.00 0.00 C ATOM 620 CG PRO A 41 -1.436 18.249 -2.342 1.00 0.00 C ATOM 621 CD PRO A 41 -2.618 17.325 -2.224 1.00 0.00 C ATOM 0 HA PRO A 41 -2.563 18.814 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.308 17.179 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.368 18.910 -4.080 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.663 18.000 -1.615 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.722 19.285 -2.161 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.319 16.318 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.333 17.673 -1.479 1.00 0.00 H new ATOM 629 N VAL A 42 -2.332 17.372 -6.926 1.00 0.00 N ATOM 630 CA VAL A 42 -2.186 16.543 -8.117 1.00 0.00 C ATOM 631 C VAL A 42 -0.961 16.949 -8.925 1.00 0.00 C ATOM 632 O VAL A 42 -0.744 18.132 -9.189 1.00 0.00 O ATOM 633 CB VAL A 42 -3.442 16.654 -9.002 1.00 0.00 C ATOM 634 CG1 VAL A 42 -3.229 15.927 -10.322 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.647 16.091 -8.264 1.00 0.00 C ATOM 0 H VAL A 42 -2.676 18.315 -7.109 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.060 15.511 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.628 17.705 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.126 16.015 -10.935 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.384 16.370 -10.849 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.024 14.874 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.531 16.173 -8.896 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.469 15.043 -8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.805 16.653 -7.344 1.00 0.00 H new ATOM 645 N VAL A 43 -0.162 15.962 -9.316 1.00 0.00 N ATOM 646 CA VAL A 43 1.004 16.207 -10.157 1.00 0.00 C ATOM 647 C VAL A 43 0.658 16.063 -11.633 1.00 0.00 C ATOM 648 O VAL A 43 1.072 16.876 -12.460 1.00 0.00 O ATOM 649 CB VAL A 43 2.136 15.226 -9.799 1.00 0.00 C ATOM 650 CG1 VAL A 43 3.310 15.398 -10.751 1.00 0.00 C ATOM 651 CG2 VAL A 43 2.573 15.442 -8.359 1.00 0.00 C ATOM 0 H VAL A 43 -0.301 14.984 -9.064 1.00 0.00 H new ATOM 0 HA VAL A 43 1.336 17.229 -9.975 1.00 0.00 H new ATOM 0 HB VAL A 43 1.765 14.206 -9.901 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.101 14.697 -10.484 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.982 15.203 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.689 16.417 -10.680 1.00 0.00 H new ATOM 0 HG21 VAL A 43 3.374 14.745 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.932 16.464 -8.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.727 15.273 -7.693 1.00 0.00 H new ATOM 661 N SER A 44 -0.103 15.024 -11.959 1.00 0.00 N ATOM 662 CA SER A 44 -0.521 14.781 -13.335 1.00 0.00 C ATOM 663 C SER A 44 -1.815 13.979 -13.384 1.00 0.00 C ATOM 664 O SER A 44 -2.341 13.567 -12.351 1.00 0.00 O ATOM 665 CB SER A 44 0.570 14.046 -14.089 1.00 0.00 C ATOM 666 OG SER A 44 0.642 12.706 -13.687 1.00 0.00 O ATOM 0 H SER A 44 -0.444 14.335 -11.288 1.00 0.00 H new ATOM 0 HA SER A 44 -0.700 15.746 -13.808 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.375 14.098 -15.160 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.529 14.534 -13.915 1.00 0.00 H new ATOM 0 HG SER A 44 1.401 12.587 -13.079 1.00 0.00 H new ATOM 672 N PHE A 45 -2.324 13.761 -14.592 1.00 0.00 N ATOM 673 CA PHE A 45 -3.543 12.985 -14.781 1.00 0.00 C ATOM 674 C PHE A 45 -3.689 12.531 -16.227 1.00 0.00 C ATOM 675 O PHE A 45 -2.992 13.021 -17.115 1.00 0.00 O ATOM 676 CB PHE A 45 -4.768 13.805 -14.373 1.00 0.00 C ATOM 677 CG PHE A 45 -4.917 15.091 -15.135 1.00 0.00 C ATOM 678 CD1 PHE A 45 -5.637 15.133 -16.320 1.00 0.00 C ATOM 679 CD2 PHE A 45 -4.338 16.262 -14.669 1.00 0.00 C ATOM 680 CE1 PHE A 45 -5.774 16.315 -17.022 1.00 0.00 C ATOM 681 CE2 PHE A 45 -4.475 17.446 -15.368 1.00 0.00 C ATOM 682 CZ PHE A 45 -5.194 17.472 -16.546 1.00 0.00 C ATOM 0 H PHE A 45 -1.910 14.112 -15.456 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.474 12.101 -14.146 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.663 13.201 -14.519 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -4.705 14.029 -13.308 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -6.096 14.231 -16.698 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.773 16.248 -13.749 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.336 16.333 -17.944 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.020 18.351 -14.993 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.302 18.397 -17.094 1.00 0.00 H new ATOM 692 N ARG A 46 -4.600 11.591 -16.459 1.00 0.00 N ATOM 693 CA ARG A 46 -4.799 11.029 -17.789 1.00 0.00 C ATOM 694 C ARG A 46 -6.267 10.704 -18.035 1.00 0.00 C ATOM 695 O ARG A 46 -6.960 10.207 -17.147 1.00 0.00 O ATOM 696 CB ARG A 46 -3.968 9.767 -17.967 1.00 0.00 C ATOM 697 CG ARG A 46 -4.097 9.103 -19.329 1.00 0.00 C ATOM 698 CD ARG A 46 -3.204 7.922 -19.451 1.00 0.00 C ATOM 699 NE ARG A 46 -3.353 7.260 -20.737 1.00 0.00 N ATOM 700 CZ ARG A 46 -2.749 6.105 -21.077 1.00 0.00 C ATOM 701 NH1 ARG A 46 -1.960 5.498 -20.219 1.00 0.00 N ATOM 702 NH2 ARG A 46 -2.950 5.582 -22.274 1.00 0.00 N ATOM 0 H ARG A 46 -5.212 11.203 -15.742 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.479 11.779 -18.512 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.920 10.012 -17.796 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.256 9.048 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.131 8.796 -19.488 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.855 9.824 -20.110 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.168 8.235 -19.322 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.425 7.215 -18.651 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.957 7.701 -21.430 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.805 5.901 -19.295 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.503 4.623 -20.477 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.562 6.053 -22.940 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -2.493 4.707 -22.532 1.00 0.00 H new ATOM 716 N LEU A 47 -6.736 10.988 -19.245 1.00 0.00 N ATOM 717 CA LEU A 47 -8.095 10.640 -19.642 1.00 0.00 C ATOM 718 C LEU A 47 -8.101 9.472 -20.620 1.00 0.00 C ATOM 719 O LEU A 47 -7.429 9.510 -21.651 1.00 0.00 O ATOM 720 CB LEU A 47 -8.789 11.851 -20.277 1.00 0.00 C ATOM 721 CG LEU A 47 -10.195 11.596 -20.834 1.00 0.00 C ATOM 722 CD1 LEU A 47 -11.138 11.244 -19.691 1.00 0.00 C ATOM 723 CD2 LEU A 47 -10.678 12.831 -21.580 1.00 0.00 C ATOM 0 H LEU A 47 -6.194 11.459 -19.969 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.639 10.341 -18.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.852 12.643 -19.531 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -8.160 12.224 -21.085 1.00 0.00 H new ATOM 0 HG LEU A 47 -10.173 10.759 -21.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -12.137 11.063 -20.087 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -10.779 10.347 -19.186 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -11.173 12.070 -18.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.677 12.649 -21.976 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.707 13.680 -20.897 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.996 13.049 -22.402 1.00 0.00 H new ATOM 735 N VAL A 48 -8.864 8.435 -20.291 1.00 0.00 N ATOM 736 CA VAL A 48 -9.053 7.306 -21.193 1.00 0.00 C ATOM 737 C VAL A 48 -10.333 7.458 -22.005 1.00 0.00 C ATOM 738 O VAL A 48 -11.429 7.517 -21.448 1.00 0.00 O ATOM 739 CB VAL A 48 -9.107 5.989 -20.397 1.00 0.00 C ATOM 740 CG1 VAL A 48 -9.350 4.812 -21.330 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.814 5.802 -19.618 1.00 0.00 C ATOM 0 H VAL A 48 -9.362 8.354 -19.405 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.206 7.284 -21.878 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.936 6.036 -19.691 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.385 3.890 -20.750 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.298 4.950 -21.850 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.541 4.752 -22.058 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.859 4.868 -19.057 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.973 5.769 -20.311 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.682 6.634 -18.927 1.00 0.00 H new ATOM 751 N TYR A 49 -10.187 7.520 -23.324 1.00 0.00 N ATOM 752 CA TYR A 49 -11.311 7.809 -24.207 1.00 0.00 C ATOM 753 C TYR A 49 -11.166 7.085 -25.539 1.00 0.00 C ATOM 754 O TYR A 49 -10.080 6.624 -25.891 1.00 0.00 O ATOM 755 CB TYR A 49 -11.438 9.317 -24.434 1.00 0.00 C ATOM 756 CG TYR A 49 -10.275 9.921 -25.189 1.00 0.00 C ATOM 757 CD1 TYR A 49 -10.352 10.089 -26.564 1.00 0.00 C ATOM 758 CD2 TYR A 49 -9.131 10.307 -24.507 1.00 0.00 C ATOM 759 CE1 TYR A 49 -9.290 10.641 -27.254 1.00 0.00 C ATOM 760 CE2 TYR A 49 -8.068 10.858 -25.196 1.00 0.00 C ATOM 761 CZ TYR A 49 -8.145 11.025 -26.564 1.00 0.00 C ATOM 762 OH TYR A 49 -7.087 11.575 -27.251 1.00 0.00 O ATOM 0 H TYR A 49 -9.300 7.374 -23.806 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.218 7.448 -23.723 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -12.358 9.516 -24.983 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.529 9.814 -23.468 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.243 9.788 -27.095 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.071 10.177 -23.437 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.349 10.774 -28.324 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.177 11.158 -24.664 1.00 0.00 H new ATOM 0 HH TYR A 49 -6.366 11.790 -26.623 1.00 0.00 H new ATOM 772 N ASP A 50 -12.267 6.986 -26.276 1.00 0.00 N ATOM 773 CA ASP A 50 -12.245 6.406 -27.613 1.00 0.00 C ATOM 774 C ASP A 50 -11.711 7.401 -28.636 1.00 0.00 C ATOM 775 O ASP A 50 -12.355 8.406 -28.934 1.00 0.00 O ATOM 776 CB ASP A 50 -13.647 5.947 -28.023 1.00 0.00 C ATOM 777 CG ASP A 50 -13.672 5.259 -29.381 1.00 0.00 C ATOM 778 OD1 ASP A 50 -12.621 5.051 -29.939 1.00 0.00 O ATOM 779 OD2 ASP A 50 -14.742 4.948 -29.847 1.00 0.00 O ATOM 0 H ASP A 50 -13.187 7.301 -25.969 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.579 5.544 -27.588 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.035 5.263 -27.268 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.314 6.809 -28.046 1.00 0.00 H new ATOM 784 N ARG A 51 -10.529 7.113 -29.172 1.00 0.00 N ATOM 785 CA ARG A 51 -9.872 8.018 -30.108 1.00 0.00 C ATOM 786 C ARG A 51 -10.562 8.002 -31.466 1.00 0.00 C ATOM 787 O ARG A 51 -10.371 8.904 -32.281 1.00 0.00 O ATOM 788 CB ARG A 51 -8.409 7.638 -30.281 1.00 0.00 C ATOM 789 CG ARG A 51 -7.545 7.841 -29.047 1.00 0.00 C ATOM 790 CD ARG A 51 -6.154 7.370 -29.266 1.00 0.00 C ATOM 791 NE ARG A 51 -6.089 5.926 -29.426 1.00 0.00 N ATOM 792 CZ ARG A 51 -4.984 5.245 -29.789 1.00 0.00 C ATOM 793 NH1 ARG A 51 -3.863 5.890 -30.025 1.00 0.00 N ATOM 794 NH2 ARG A 51 -5.028 3.930 -29.907 1.00 0.00 N ATOM 0 H ARG A 51 -10.007 6.260 -28.974 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.938 9.024 -29.693 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.353 6.591 -30.577 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.991 8.224 -31.100 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.533 8.898 -28.781 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.982 7.305 -28.205 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.743 7.852 -30.153 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.532 7.670 -28.423 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.940 5.391 -29.251 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.830 6.905 -29.933 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.026 5.375 -30.300 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.898 3.430 -29.723 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.192 3.414 -30.182 1.00 0.00 H new ATOM 808 N GLU A 52 -11.365 6.970 -31.704 1.00 0.00 N ATOM 809 CA GLU A 52 -12.072 6.826 -32.971 1.00 0.00 C ATOM 810 C GLU A 52 -13.268 7.767 -33.045 1.00 0.00 C ATOM 811 O GLU A 52 -13.502 8.409 -34.069 1.00 0.00 O ATOM 812 CB GLU A 52 -12.536 5.380 -33.161 1.00 0.00 C ATOM 813 CG GLU A 52 -13.246 5.116 -34.481 1.00 0.00 C ATOM 814 CD GLU A 52 -12.348 5.291 -35.674 1.00 0.00 C ATOM 815 OE1 GLU A 52 -11.154 5.216 -35.510 1.00 0.00 O ATOM 816 OE2 GLU A 52 -12.856 5.499 -36.750 1.00 0.00 O ATOM 0 H GLU A 52 -11.542 6.221 -31.035 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.379 7.088 -33.771 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.671 4.721 -33.090 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -13.206 5.116 -32.343 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -13.643 4.101 -34.477 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -14.097 5.791 -34.571 1.00 0.00 H new ATOM 823 N THR A 53 -14.022 7.843 -31.954 1.00 0.00 N ATOM 824 CA THR A 53 -15.243 8.640 -31.921 1.00 0.00 C ATOM 825 C THR A 53 -15.050 9.911 -31.105 1.00 0.00 C ATOM 826 O THR A 53 -15.738 10.909 -31.320 1.00 0.00 O ATOM 827 CB THR A 53 -16.419 7.829 -31.346 1.00 0.00 C ATOM 828 OG1 THR A 53 -16.123 7.446 -29.996 1.00 0.00 O ATOM 829 CG2 THR A 53 -16.665 6.581 -32.180 1.00 0.00 C ATOM 0 H THR A 53 -13.809 7.362 -31.080 1.00 0.00 H new ATOM 0 HA THR A 53 -15.475 8.917 -32.949 1.00 0.00 H new ATOM 0 HB THR A 53 -17.314 8.450 -31.368 1.00 0.00 H new ATOM 0 HG1 THR A 53 -15.681 6.571 -29.994 1.00 0.00 H new ATOM 0 HG21 THR A 53 -17.500 6.020 -31.759 1.00 0.00 H new ATOM 0 HG22 THR A 53 -16.901 6.869 -33.204 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.770 5.958 -32.175 1.00 0.00 H new ATOM 837 N GLY A 54 -14.110 9.869 -30.167 1.00 0.00 N ATOM 838 CA GLY A 54 -13.827 11.016 -29.313 1.00 0.00 C ATOM 839 C GLY A 54 -14.626 10.949 -28.018 1.00 0.00 C ATOM 840 O GLY A 54 -14.568 11.862 -27.194 1.00 0.00 O ATOM 0 H GLY A 54 -13.530 9.051 -29.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -12.762 11.049 -29.085 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.068 11.937 -29.845 1.00 0.00 H new ATOM 844 N LYS A 55 -15.371 9.863 -27.844 1.00 0.00 N ATOM 845 CA LYS A 55 -16.212 9.692 -26.665 1.00 0.00 C ATOM 846 C LYS A 55 -15.426 9.083 -25.511 1.00 0.00 C ATOM 847 O LYS A 55 -14.825 8.017 -25.651 1.00 0.00 O ATOM 848 CB LYS A 55 -17.425 8.820 -26.994 1.00 0.00 C ATOM 849 CG LYS A 55 -18.417 8.664 -25.849 1.00 0.00 C ATOM 850 CD LYS A 55 -19.573 7.756 -26.239 1.00 0.00 C ATOM 851 CE LYS A 55 -20.484 8.425 -27.258 1.00 0.00 C ATOM 852 NZ LYS A 55 -21.668 7.585 -27.583 1.00 0.00 N ATOM 0 H LYS A 55 -15.410 9.087 -28.505 1.00 0.00 H new ATOM 0 HA LYS A 55 -16.559 10.678 -26.357 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -17.943 9.249 -27.852 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -17.076 7.832 -27.294 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -17.908 8.254 -24.977 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -18.801 9.643 -25.562 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -19.184 6.826 -26.652 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.148 7.494 -25.351 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.818 9.387 -26.869 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.922 8.627 -28.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -22.262 8.077 -28.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -21.351 6.677 -27.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -22.220 7.413 -26.718 1.00 0.00 H new ATOM 866 N PRO A 56 -15.434 9.765 -24.371 1.00 0.00 N ATOM 867 CA PRO A 56 -14.783 9.256 -23.169 1.00 0.00 C ATOM 868 C PRO A 56 -15.303 7.871 -22.805 1.00 0.00 C ATOM 869 O PRO A 56 -16.477 7.564 -23.014 1.00 0.00 O ATOM 870 CB PRO A 56 -15.156 10.297 -22.109 1.00 0.00 C ATOM 871 CG PRO A 56 -15.383 11.547 -22.887 1.00 0.00 C ATOM 872 CD PRO A 56 -16.053 11.084 -24.153 1.00 0.00 C ATOM 0 HA PRO A 56 -13.706 9.131 -23.281 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -16.050 10.003 -21.559 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.358 10.423 -21.377 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -16.012 12.248 -22.338 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.444 12.059 -23.099 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -17.134 11.012 -24.038 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.866 11.764 -24.984 1.00 0.00 H new ATOM 880 N LYS A 57 -14.423 7.039 -22.259 1.00 0.00 N ATOM 881 CA LYS A 57 -14.807 5.708 -21.806 1.00 0.00 C ATOM 882 C LYS A 57 -15.221 5.723 -20.340 1.00 0.00 C ATOM 883 O LYS A 57 -15.745 4.737 -19.822 1.00 0.00 O ATOM 884 CB LYS A 57 -13.661 4.718 -22.019 1.00 0.00 C ATOM 885 CG LYS A 57 -13.326 4.448 -23.480 1.00 0.00 C ATOM 886 CD LYS A 57 -12.260 3.371 -23.613 1.00 0.00 C ATOM 887 CE LYS A 57 -11.934 3.090 -25.072 1.00 0.00 C ATOM 888 NZ LYS A 57 -10.919 2.012 -25.218 1.00 0.00 N ATOM 0 H LYS A 57 -13.438 7.264 -22.119 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.664 5.389 -22.399 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.770 5.099 -21.519 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.918 3.774 -21.537 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.227 4.139 -24.011 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.978 5.367 -23.951 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.356 3.685 -23.091 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.604 2.455 -23.133 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.845 2.804 -25.599 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.566 4.001 -25.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.725 1.852 -26.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.041 2.295 -24.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.280 1.135 -24.791 1.00 0.00 H new ATOM 902 N GLY A 58 -14.980 6.848 -19.674 1.00 0.00 N ATOM 903 CA GLY A 58 -15.381 7.015 -18.283 1.00 0.00 C ATOM 904 C GLY A 58 -14.265 6.600 -17.334 1.00 0.00 C ATOM 905 O GLY A 58 -14.496 6.381 -16.145 1.00 0.00 O ATOM 0 H GLY A 58 -14.508 7.658 -20.076 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.648 8.056 -18.101 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.271 6.418 -18.084 1.00 0.00 H new ATOM 909 N TYR A 59 -13.052 6.493 -17.866 1.00 0.00 N ATOM 910 CA TYR A 59 -11.899 6.088 -17.071 1.00 0.00 C ATOM 911 C TYR A 59 -10.749 7.075 -17.227 1.00 0.00 C ATOM 912 O TYR A 59 -10.678 7.811 -18.211 1.00 0.00 O ATOM 913 CB TYR A 59 -11.446 4.680 -17.463 1.00 0.00 C ATOM 914 CG TYR A 59 -12.525 3.629 -17.316 1.00 0.00 C ATOM 915 CD1 TYR A 59 -13.210 3.178 -18.435 1.00 0.00 C ATOM 916 CD2 TYR A 59 -12.830 3.118 -16.064 1.00 0.00 C ATOM 917 CE1 TYR A 59 -14.195 2.218 -18.302 1.00 0.00 C ATOM 918 CE2 TYR A 59 -13.815 2.159 -15.930 1.00 0.00 C ATOM 919 CZ TYR A 59 -14.496 1.709 -17.043 1.00 0.00 C ATOM 920 OH TYR A 59 -15.477 0.754 -16.910 1.00 0.00 O ATOM 0 H TYR A 59 -12.842 6.682 -18.846 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.200 6.082 -16.024 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.103 4.693 -18.498 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.591 4.399 -16.848 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.973 3.577 -19.410 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -12.297 3.470 -15.193 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -14.729 1.864 -19.172 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -14.052 1.761 -14.954 1.00 0.00 H new ATOM 0 HH TYR A 59 -15.564 0.503 -15.967 1.00 0.00 H new ATOM 930 N GLY A 60 -9.848 7.085 -16.250 1.00 0.00 N ATOM 931 CA GLY A 60 -8.667 7.937 -16.305 1.00 0.00 C ATOM 932 C GLY A 60 -7.761 7.703 -15.103 1.00 0.00 C ATOM 933 O GLY A 60 -8.042 6.853 -14.258 1.00 0.00 O ATOM 0 H GLY A 60 -9.914 6.511 -15.409 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.115 7.739 -17.224 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.971 8.983 -16.336 1.00 0.00 H new ATOM 937 N PHE A 61 -6.673 8.462 -15.031 1.00 0.00 N ATOM 938 CA PHE A 61 -5.729 8.345 -13.927 1.00 0.00 C ATOM 939 C PHE A 61 -5.450 9.702 -13.294 1.00 0.00 C ATOM 940 O PHE A 61 -5.670 10.743 -13.913 1.00 0.00 O ATOM 941 CB PHE A 61 -4.417 7.722 -14.409 1.00 0.00 C ATOM 942 CG PHE A 61 -4.569 6.325 -14.939 1.00 0.00 C ATOM 943 CD1 PHE A 61 -4.901 6.103 -16.267 1.00 0.00 C ATOM 944 CD2 PHE A 61 -4.381 5.229 -14.110 1.00 0.00 C ATOM 945 CE1 PHE A 61 -5.041 4.818 -16.755 1.00 0.00 C ATOM 946 CE2 PHE A 61 -4.519 3.943 -14.595 1.00 0.00 C ATOM 947 CZ PHE A 61 -4.850 3.738 -15.920 1.00 0.00 C ATOM 0 H PHE A 61 -6.423 9.166 -15.726 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.179 7.698 -13.174 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.991 8.353 -15.190 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.705 7.712 -13.584 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.052 6.944 -16.927 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.124 5.383 -13.072 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.300 4.660 -17.791 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.368 3.099 -13.939 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.959 2.733 -16.301 1.00 0.00 H new ATOM 957 N CYS A 62 -4.963 9.684 -12.058 1.00 0.00 N ATOM 958 CA CYS A 62 -4.580 10.910 -11.367 1.00 0.00 C ATOM 959 C CYS A 62 -3.369 10.682 -10.471 1.00 0.00 C ATOM 960 O CYS A 62 -3.432 9.915 -9.510 1.00 0.00 O ATOM 961 CB CYS A 62 -5.740 11.437 -10.523 1.00 0.00 C ATOM 962 SG CYS A 62 -5.407 13.022 -9.717 1.00 0.00 S ATOM 0 H CYS A 62 -4.824 8.833 -11.513 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.321 11.647 -12.128 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.619 11.543 -11.159 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.985 10.698 -9.760 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.337 12.848 -8.431 1.00 0.00 H new ATOM 968 N GLU A 63 -2.267 11.351 -10.792 1.00 0.00 N ATOM 969 CA GLU A 63 -1.051 11.251 -9.995 1.00 0.00 C ATOM 970 C GLU A 63 -1.015 12.316 -8.907 1.00 0.00 C ATOM 971 O GLU A 63 -1.224 13.499 -9.176 1.00 0.00 O ATOM 972 CB GLU A 63 0.185 11.379 -10.890 1.00 0.00 C ATOM 973 CG GLU A 63 1.510 11.285 -10.148 1.00 0.00 C ATOM 974 CD GLU A 63 2.699 11.465 -11.050 1.00 0.00 C ATOM 975 OE1 GLU A 63 2.511 11.549 -12.240 1.00 0.00 O ATOM 976 OE2 GLU A 63 3.798 11.519 -10.548 1.00 0.00 O ATOM 0 H GLU A 63 -2.191 11.969 -11.600 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.047 10.272 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.151 10.598 -11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.142 12.334 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.537 12.042 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.577 10.315 -9.656 1.00 0.00 H new ATOM 983 N TYR A 64 -0.748 11.890 -7.677 1.00 0.00 N ATOM 984 CA TYR A 64 -0.697 12.805 -6.544 1.00 0.00 C ATOM 985 C TYR A 64 0.725 12.955 -6.020 1.00 0.00 C ATOM 986 O TYR A 64 1.607 12.166 -6.357 1.00 0.00 O ATOM 987 CB TYR A 64 -1.626 12.325 -5.426 1.00 0.00 C ATOM 988 CG TYR A 64 -3.097 12.445 -5.761 1.00 0.00 C ATOM 989 CD1 TYR A 64 -3.733 11.432 -6.463 1.00 0.00 C ATOM 990 CD2 TYR A 64 -3.808 13.568 -5.366 1.00 0.00 C ATOM 991 CE1 TYR A 64 -5.076 11.542 -6.768 1.00 0.00 C ATOM 992 CE2 TYR A 64 -5.151 13.678 -5.672 1.00 0.00 C ATOM 993 CZ TYR A 64 -5.784 12.671 -6.370 1.00 0.00 C ATOM 994 OH TYR A 64 -7.122 12.780 -6.674 1.00 0.00 O ATOM 0 H TYR A 64 -0.563 10.915 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.035 13.782 -6.888 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -1.398 11.283 -5.199 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.420 12.900 -4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.179 10.558 -6.771 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.312 14.357 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -5.574 10.754 -7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.705 14.553 -5.365 1.00 0.00 H new ATOM 0 HH TYR A 64 -7.469 13.627 -6.324 1.00 0.00 H new ATOM 1004 N GLN A 65 0.942 13.972 -5.193 1.00 0.00 N ATOM 1005 CA GLN A 65 2.281 14.305 -4.722 1.00 0.00 C ATOM 1006 C GLN A 65 2.927 13.119 -4.018 1.00 0.00 C ATOM 1007 O GLN A 65 4.120 12.862 -4.183 1.00 0.00 O ATOM 1008 CB GLN A 65 2.233 15.510 -3.778 1.00 0.00 C ATOM 1009 CG GLN A 65 3.597 15.990 -3.312 1.00 0.00 C ATOM 1010 CD GLN A 65 4.441 16.526 -4.453 1.00 0.00 C ATOM 1011 OE1 GLN A 65 4.007 17.401 -5.208 1.00 0.00 O ATOM 1012 NE2 GLN A 65 5.655 16.004 -4.585 1.00 0.00 N ATOM 0 H GLN A 65 0.206 14.581 -4.835 1.00 0.00 H new ATOM 0 HA GLN A 65 2.886 14.559 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.723 16.332 -4.281 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.634 15.250 -2.905 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.468 16.770 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.124 15.167 -2.829 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.973 15.282 -3.938 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.269 16.325 -5.333 1.00 0.00 H new ATOM 1021 N ASP A 66 2.133 12.398 -3.233 1.00 0.00 N ATOM 1022 CA ASP A 66 2.605 11.188 -2.570 1.00 0.00 C ATOM 1023 C ASP A 66 1.467 10.199 -2.353 1.00 0.00 C ATOM 1024 O ASP A 66 0.309 10.496 -2.649 1.00 0.00 O ATOM 1025 CB ASP A 66 3.254 11.531 -1.227 1.00 0.00 C ATOM 1026 CG ASP A 66 2.289 12.196 -0.255 1.00 0.00 C ATOM 1027 OD1 ASP A 66 1.103 12.071 -0.447 1.00 0.00 O ATOM 1028 OD2 ASP A 66 2.748 12.823 0.670 1.00 0.00 O ATOM 0 H ASP A 66 1.159 12.631 -3.040 1.00 0.00 H new ATOM 0 HA ASP A 66 3.347 10.724 -3.219 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.646 10.620 -0.775 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.103 12.193 -1.398 1.00 0.00 H new ATOM 1033 N GLN A 67 1.802 9.023 -1.835 1.00 0.00 N ATOM 1034 CA GLN A 67 0.829 7.948 -1.681 1.00 0.00 C ATOM 1035 C GLN A 67 -0.151 8.248 -0.554 1.00 0.00 C ATOM 1036 O GLN A 67 -1.233 7.665 -0.488 1.00 0.00 O ATOM 1037 CB GLN A 67 1.539 6.617 -1.416 1.00 0.00 C ATOM 1038 CG GLN A 67 2.250 6.547 -0.076 1.00 0.00 C ATOM 1039 CD GLN A 67 3.659 7.106 -0.139 1.00 0.00 C ATOM 1040 OE1 GLN A 67 3.949 8.009 -0.928 1.00 0.00 O ATOM 1041 NE2 GLN A 67 4.545 6.570 0.694 1.00 0.00 N ATOM 0 H GLN A 67 2.742 8.789 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 67 0.267 7.873 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.807 5.811 -1.469 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.265 6.441 -2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.675 7.101 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.288 5.510 0.258 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.261 5.825 1.330 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.509 6.904 0.697 1.00 0.00 H new ATOM 1050 N GLU A 68 0.235 9.162 0.330 1.00 0.00 N ATOM 1051 CA GLU A 68 -0.626 9.570 1.434 1.00 0.00 C ATOM 1052 C GLU A 68 -1.755 10.470 0.949 1.00 0.00 C ATOM 1053 O GLU A 68 -2.897 10.342 1.390 1.00 0.00 O ATOM 1054 CB GLU A 68 0.191 10.294 2.507 1.00 0.00 C ATOM 1055 CG GLU A 68 1.185 9.408 3.245 1.00 0.00 C ATOM 1056 CD GLU A 68 0.522 8.295 4.008 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -0.458 8.551 4.664 1.00 0.00 O ATOM 1058 OE2 GLU A 68 0.997 7.186 3.933 1.00 0.00 O ATOM 0 H GLU A 68 1.139 9.634 0.303 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.066 8.670 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.733 11.117 2.040 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.493 10.734 3.232 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.887 8.982 2.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.766 10.019 3.935 1.00 0.00 H new ATOM 1065 N THR A 69 -1.429 11.381 0.038 1.00 0.00 N ATOM 1066 CA THR A 69 -2.433 12.234 -0.586 1.00 0.00 C ATOM 1067 C THR A 69 -3.216 11.474 -1.650 1.00 0.00 C ATOM 1068 O THR A 69 -4.369 11.799 -1.936 1.00 0.00 O ATOM 1069 CB THR A 69 -1.787 13.483 -1.213 1.00 0.00 C ATOM 1070 OG1 THR A 69 -0.770 13.084 -2.141 1.00 0.00 O ATOM 1071 CG2 THR A 69 -1.170 14.362 -0.136 1.00 0.00 C ATOM 0 H THR A 69 -0.476 11.547 -0.285 1.00 0.00 H new ATOM 0 HA THR A 69 -3.121 12.550 0.198 1.00 0.00 H new ATOM 0 HB THR A 69 -2.559 14.051 -1.732 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.039 12.828 -1.650 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.718 15.240 -0.598 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.944 14.678 0.564 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.405 13.799 0.399 1.00 0.00 H new ATOM 1079 N ALA A 70 -2.584 10.462 -2.233 1.00 0.00 N ATOM 1080 CA ALA A 70 -3.249 9.599 -3.201 1.00 0.00 C ATOM 1081 C ALA A 70 -4.363 8.793 -2.546 1.00 0.00 C ATOM 1082 O ALA A 70 -5.486 8.746 -3.048 1.00 0.00 O ATOM 1083 CB ALA A 70 -2.242 8.668 -3.862 1.00 0.00 C ATOM 0 H ALA A 70 -1.610 10.219 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.696 10.234 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.754 8.030 -4.582 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.483 9.258 -4.376 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.766 8.048 -3.102 1.00 0.00 H new ATOM 1089 N LEU A 71 -4.046 8.159 -1.422 1.00 0.00 N ATOM 1090 CA LEU A 71 -5.013 7.330 -0.711 1.00 0.00 C ATOM 1091 C LEU A 71 -6.075 8.184 -0.031 1.00 0.00 C ATOM 1092 O LEU A 71 -7.243 7.801 0.036 1.00 0.00 O ATOM 1093 CB LEU A 71 -4.299 6.462 0.333 1.00 0.00 C ATOM 1094 CG LEU A 71 -3.398 5.354 -0.227 1.00 0.00 C ATOM 1095 CD1 LEU A 71 -2.639 4.691 0.914 1.00 0.00 C ATOM 1096 CD2 LEU A 71 -4.248 4.341 -0.980 1.00 0.00 C ATOM 0 H LEU A 71 -3.126 8.203 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.505 6.687 -1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.694 7.111 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.052 6.003 0.974 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.673 5.778 -0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.999 3.904 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.026 5.434 1.424 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.348 4.260 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.608 3.553 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.981 3.905 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.765 4.838 -1.801 1.00 0.00 H new ATOM 1108 N SER A 72 -5.663 9.342 0.473 1.00 0.00 N ATOM 1109 CA SER A 72 -6.595 10.294 1.066 1.00 0.00 C ATOM 1110 C SER A 72 -7.585 10.813 0.030 1.00 0.00 C ATOM 1111 O SER A 72 -8.791 10.844 0.272 1.00 0.00 O ATOM 1112 CB SER A 72 -5.836 11.454 1.679 1.00 0.00 C ATOM 1113 OG SER A 72 -5.059 11.028 2.764 1.00 0.00 O ATOM 0 H SER A 72 -4.689 9.644 0.483 1.00 0.00 H new ATOM 0 HA SER A 72 -7.155 9.777 1.845 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.195 11.912 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 72 -6.539 12.219 2.008 1.00 0.00 H new ATOM 0 HG SER A 72 -4.114 11.012 2.504 1.00 0.00 H new ATOM 1119 N ALA A 73 -7.067 11.221 -1.123 1.00 0.00 N ATOM 1120 CA ALA A 73 -7.909 11.684 -2.220 1.00 0.00 C ATOM 1121 C ALA A 73 -8.749 10.547 -2.787 1.00 0.00 C ATOM 1122 O ALA A 73 -9.899 10.748 -3.179 1.00 0.00 O ATOM 1123 CB ALA A 73 -7.056 12.308 -3.315 1.00 0.00 C ATOM 0 H ALA A 73 -6.067 11.241 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.588 12.441 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.698 12.649 -4.127 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.505 13.156 -2.908 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.353 11.567 -3.695 1.00 0.00 H new ATOM 1129 N MET A 74 -8.169 9.352 -2.828 1.00 0.00 N ATOM 1130 CA MET A 74 -8.898 8.160 -3.244 1.00 0.00 C ATOM 1131 C MET A 74 -10.179 7.989 -2.437 1.00 0.00 C ATOM 1132 O MET A 74 -11.248 7.743 -2.996 1.00 0.00 O ATOM 1133 CB MET A 74 -8.012 6.924 -3.106 1.00 0.00 C ATOM 1134 CG MET A 74 -8.695 5.615 -3.474 1.00 0.00 C ATOM 1135 SD MET A 74 -9.657 4.926 -2.113 1.00 0.00 S ATOM 1136 CE MET A 74 -8.351 4.440 -0.988 1.00 0.00 C ATOM 0 H MET A 74 -7.195 9.184 -2.578 1.00 0.00 H new ATOM 0 HA MET A 74 -9.175 8.280 -4.291 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.132 7.050 -3.737 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.659 6.858 -2.077 1.00 0.00 H new ATOM 0 HG2 MET A 74 -9.350 5.780 -4.330 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.941 4.891 -3.784 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.742 3.726 -0.263 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.539 3.979 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 74 -7.976 5.319 -0.464 1.00 0.00 H new ATOM 1146 N ARG A 75 -10.064 8.119 -1.120 1.00 0.00 N ATOM 1147 CA ARG A 75 -11.221 8.030 -0.237 1.00 0.00 C ATOM 1148 C ARG A 75 -12.164 9.208 -0.443 1.00 0.00 C ATOM 1149 O ARG A 75 -13.382 9.066 -0.344 1.00 0.00 O ATOM 1150 CB ARG A 75 -10.781 7.984 1.219 1.00 0.00 C ATOM 1151 CG ARG A 75 -10.084 6.699 1.637 1.00 0.00 C ATOM 1152 CD ARG A 75 -9.606 6.766 3.041 1.00 0.00 C ATOM 1153 NE ARG A 75 -8.942 5.537 3.447 1.00 0.00 N ATOM 1154 CZ ARG A 75 -8.283 5.372 4.611 1.00 0.00 C ATOM 1155 NH1 ARG A 75 -8.209 6.363 5.471 1.00 0.00 N ATOM 1156 NH2 ARG A 75 -7.711 4.213 4.887 1.00 0.00 N ATOM 0 H ARG A 75 -9.180 8.287 -0.640 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.751 7.110 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.110 8.822 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -11.656 8.128 1.853 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.771 5.860 1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.240 6.510 0.974 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -8.917 7.604 3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.450 6.958 3.703 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.978 4.745 2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.650 7.257 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.710 6.238 6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.768 3.444 4.219 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.212 4.087 5.768 1.00 0.00 H new ATOM 1170 N ASN A 76 -11.592 10.373 -0.731 1.00 0.00 N ATOM 1171 CA ASN A 76 -12.381 11.581 -0.944 1.00 0.00 C ATOM 1172 C ASN A 76 -13.184 11.494 -2.235 1.00 0.00 C ATOM 1173 O ASN A 76 -14.306 11.995 -2.314 1.00 0.00 O ATOM 1174 CB ASN A 76 -11.486 12.807 -0.953 1.00 0.00 C ATOM 1175 CG ASN A 76 -10.967 13.154 0.415 1.00 0.00 C ATOM 1176 OD1 ASN A 76 -11.592 12.827 1.431 1.00 0.00 O ATOM 1177 ND2 ASN A 76 -9.836 13.810 0.461 1.00 0.00 N ATOM 0 H ASN A 76 -10.585 10.506 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.086 11.672 -0.117 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.644 12.633 -1.623 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.042 13.655 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.435 14.073 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.355 14.059 -0.403 1.00 0.00 H new ATOM 1184 N LEU A 77 -12.604 10.855 -3.245 1.00 0.00 N ATOM 1185 CA LEU A 77 -13.228 10.774 -4.560 1.00 0.00 C ATOM 1186 C LEU A 77 -14.140 9.558 -4.663 1.00 0.00 C ATOM 1187 O LEU A 77 -15.209 9.621 -5.271 1.00 0.00 O ATOM 1188 CB LEU A 77 -12.154 10.709 -5.654 1.00 0.00 C ATOM 1189 CG LEU A 77 -11.302 11.973 -5.824 1.00 0.00 C ATOM 1190 CD1 LEU A 77 -10.185 11.702 -6.823 1.00 0.00 C ATOM 1191 CD2 LEU A 77 -12.184 13.122 -6.289 1.00 0.00 C ATOM 0 H LEU A 77 -11.701 10.385 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.832 11.670 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.490 9.872 -5.437 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.642 10.491 -6.604 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.852 12.250 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.579 12.600 -6.944 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.559 10.889 -6.457 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.616 11.423 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.578 14.020 -6.410 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.645 12.864 -7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.962 13.306 -5.548 1.00 0.00 H new ATOM 1203 N ASN A 78 -13.712 8.451 -4.066 1.00 0.00 N ATOM 1204 CA ASN A 78 -14.461 7.202 -4.138 1.00 0.00 C ATOM 1205 C ASN A 78 -15.780 7.307 -3.383 1.00 0.00 C ATOM 1206 O ASN A 78 -15.800 7.346 -2.153 1.00 0.00 O ATOM 1207 CB ASN A 78 -13.630 6.050 -3.605 1.00 0.00 C ATOM 1208 CG ASN A 78 -14.321 4.723 -3.753 1.00 0.00 C ATOM 1209 OD1 ASN A 78 -15.500 4.581 -3.408 1.00 0.00 O ATOM 1210 ND2 ASN A 78 -13.611 3.747 -4.258 1.00 0.00 N ATOM 0 H ASN A 78 -12.849 8.393 -3.526 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.690 7.008 -5.186 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.676 6.020 -4.132 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.407 6.224 -2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.027 2.824 -4.381 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.641 3.909 -4.529 1.00 0.00 H new ATOM 1217 N GLY A 79 -16.880 7.352 -4.127 1.00 0.00 N ATOM 1218 CA GLY A 79 -18.200 7.518 -3.532 1.00 0.00 C ATOM 1219 C GLY A 79 -18.706 8.945 -3.705 1.00 0.00 C ATOM 1220 O GLY A 79 -19.852 9.251 -3.377 1.00 0.00 O ATOM 0 H GLY A 79 -16.883 7.276 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.900 6.822 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.158 7.270 -2.471 1.00 0.00 H new ATOM 1224 N ARG A 80 -17.845 9.814 -4.223 1.00 0.00 N ATOM 1225 CA ARG A 80 -18.206 11.208 -4.449 1.00 0.00 C ATOM 1226 C ARG A 80 -19.042 11.363 -5.713 1.00 0.00 C ATOM 1227 O ARG A 80 -18.636 10.938 -6.794 1.00 0.00 O ATOM 1228 CB ARG A 80 -16.959 12.073 -4.561 1.00 0.00 C ATOM 1229 CG ARG A 80 -17.225 13.559 -4.745 1.00 0.00 C ATOM 1230 CD ARG A 80 -15.963 14.330 -4.880 1.00 0.00 C ATOM 1231 NE ARG A 80 -16.212 15.752 -5.053 1.00 0.00 N ATOM 1232 CZ ARG A 80 -15.275 16.656 -5.398 1.00 0.00 C ATOM 1233 NH1 ARG A 80 -14.035 16.272 -5.603 1.00 0.00 N ATOM 1234 NH2 ARG A 80 -15.603 17.930 -5.531 1.00 0.00 N ATOM 0 H ARG A 80 -16.891 9.577 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 80 -18.798 11.535 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -16.357 11.935 -3.663 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -16.363 11.719 -5.402 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -17.841 13.711 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -17.792 13.935 -3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -15.346 14.175 -3.995 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -15.397 13.954 -5.733 1.00 0.00 H new ATOM 0 HE ARG A 80 -17.163 16.089 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -13.782 15.289 -5.501 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.326 16.957 -5.864 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -16.565 18.228 -5.372 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.894 18.615 -5.792 1.00 0.00 H new ATOM 1248 N GLU A 81 -20.213 11.975 -5.570 1.00 0.00 N ATOM 1249 CA GLU A 81 -21.106 12.193 -6.701 1.00 0.00 C ATOM 1250 C GLU A 81 -20.580 13.294 -7.614 1.00 0.00 C ATOM 1251 O GLU A 81 -20.462 14.449 -7.205 1.00 0.00 O ATOM 1252 CB GLU A 81 -22.511 12.552 -6.211 1.00 0.00 C ATOM 1253 CG GLU A 81 -23.537 12.732 -7.320 1.00 0.00 C ATOM 1254 CD GLU A 81 -24.904 13.085 -6.801 1.00 0.00 C ATOM 1255 OE1 GLU A 81 -25.067 13.147 -5.606 1.00 0.00 O ATOM 1256 OE2 GLU A 81 -25.786 13.292 -7.601 1.00 0.00 O ATOM 0 H GLU A 81 -20.565 12.329 -4.681 1.00 0.00 H new ATOM 0 HA GLU A 81 -21.152 11.266 -7.272 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.858 11.770 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -22.456 13.473 -5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -23.198 13.515 -7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -23.601 11.812 -7.902 1.00 0.00 H new ATOM 1263 N PHE A 82 -20.266 12.928 -8.853 1.00 0.00 N ATOM 1264 CA PHE A 82 -19.780 13.890 -9.835 1.00 0.00 C ATOM 1265 C PHE A 82 -20.739 14.008 -11.012 1.00 0.00 C ATOM 1266 O PHE A 82 -20.807 13.118 -11.861 1.00 0.00 O ATOM 1267 CB PHE A 82 -18.393 13.484 -10.338 1.00 0.00 C ATOM 1268 CG PHE A 82 -17.813 14.433 -11.347 1.00 0.00 C ATOM 1269 CD1 PHE A 82 -16.903 13.989 -12.295 1.00 0.00 C ATOM 1270 CD2 PHE A 82 -18.175 15.772 -11.351 1.00 0.00 C ATOM 1271 CE1 PHE A 82 -16.368 14.862 -13.224 1.00 0.00 C ATOM 1272 CE2 PHE A 82 -17.643 16.646 -12.278 1.00 0.00 C ATOM 1273 CZ PHE A 82 -16.738 16.190 -13.216 1.00 0.00 C ATOM 0 H PHE A 82 -20.340 11.972 -9.200 1.00 0.00 H new ATOM 0 HA PHE A 82 -19.715 14.861 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.715 13.413 -9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -18.454 12.490 -10.781 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.609 12.950 -12.308 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.882 16.135 -10.620 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.660 14.503 -13.956 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.935 17.686 -12.270 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.321 16.872 -13.942 1.00 0.00 H new ATOM 1283 N SER A 83 -21.478 15.111 -11.058 1.00 0.00 N ATOM 1284 CA SER A 83 -22.475 15.321 -12.101 1.00 0.00 C ATOM 1285 C SER A 83 -23.458 14.160 -12.166 1.00 0.00 C ATOM 1286 O SER A 83 -23.914 13.779 -13.244 1.00 0.00 O ATOM 1287 CB SER A 83 -21.796 15.496 -13.445 1.00 0.00 C ATOM 1288 OG SER A 83 -20.955 16.617 -13.441 1.00 0.00 O ATOM 0 H SER A 83 -21.405 15.874 -10.385 1.00 0.00 H new ATOM 0 HA SER A 83 -23.031 16.226 -11.856 1.00 0.00 H new ATOM 0 HB2 SER A 83 -21.217 14.604 -13.683 1.00 0.00 H new ATOM 0 HB3 SER A 83 -22.549 15.605 -14.225 1.00 0.00 H new ATOM 0 HG SER A 83 -20.119 16.397 -12.980 1.00 0.00 H new ATOM 1294 N GLY A 84 -23.782 13.600 -11.005 1.00 0.00 N ATOM 1295 CA GLY A 84 -24.806 12.566 -10.913 1.00 0.00 C ATOM 1296 C GLY A 84 -24.183 11.182 -10.795 1.00 0.00 C ATOM 1297 O GLY A 84 -24.830 10.235 -10.349 1.00 0.00 O ATOM 0 H GLY A 84 -23.350 13.845 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -25.442 12.756 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -25.446 12.605 -11.794 1.00 0.00 H new ATOM 1301 N ARG A 85 -22.921 11.070 -11.197 1.00 0.00 N ATOM 1302 CA ARG A 85 -22.240 9.782 -11.235 1.00 0.00 C ATOM 1303 C ARG A 85 -21.203 9.674 -10.124 1.00 0.00 C ATOM 1304 O ARG A 85 -20.227 10.422 -10.099 1.00 0.00 O ATOM 1305 CB ARG A 85 -21.561 9.575 -12.581 1.00 0.00 C ATOM 1306 CG ARG A 85 -22.505 9.514 -13.771 1.00 0.00 C ATOM 1307 CD ARG A 85 -21.771 9.288 -15.043 1.00 0.00 C ATOM 1308 NE ARG A 85 -22.672 9.198 -16.180 1.00 0.00 N ATOM 1309 CZ ARG A 85 -23.140 10.255 -16.872 1.00 0.00 C ATOM 1310 NH1 ARG A 85 -22.783 11.474 -16.530 1.00 0.00 N ATOM 1311 NH2 ARG A 85 -23.957 10.068 -17.893 1.00 0.00 N ATOM 0 H ARG A 85 -22.349 11.858 -11.501 1.00 0.00 H new ATOM 0 HA ARG A 85 -22.994 9.009 -11.087 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -20.850 10.385 -12.741 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -20.987 8.649 -12.543 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -23.229 8.713 -13.621 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -23.069 10.445 -13.836 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -21.064 10.102 -15.204 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -21.188 8.370 -14.968 1.00 0.00 H new ATOM 0 HE ARG A 85 -22.971 8.269 -16.475 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -22.152 11.618 -15.741 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -23.137 12.275 -17.053 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -24.234 9.123 -18.158 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.311 10.869 -18.416 1.00 0.00 H new ATOM 1325 N ALA A 86 -21.422 8.737 -9.207 1.00 0.00 N ATOM 1326 CA ALA A 86 -20.467 8.476 -8.137 1.00 0.00 C ATOM 1327 C ALA A 86 -19.162 7.916 -8.687 1.00 0.00 C ATOM 1328 O ALA A 86 -19.158 6.917 -9.407 1.00 0.00 O ATOM 1329 CB ALA A 86 -21.065 7.518 -7.116 1.00 0.00 C ATOM 0 H ALA A 86 -22.253 8.146 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 86 -20.246 9.423 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -20.340 7.333 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -21.966 7.958 -6.689 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -21.317 6.577 -7.604 1.00 0.00 H new ATOM 1335 N LEU A 87 -18.054 8.566 -8.345 1.00 0.00 N ATOM 1336 CA LEU A 87 -16.746 8.171 -8.853 1.00 0.00 C ATOM 1337 C LEU A 87 -16.228 6.931 -8.136 1.00 0.00 C ATOM 1338 O LEU A 87 -16.407 6.782 -6.927 1.00 0.00 O ATOM 1339 CB LEU A 87 -15.745 9.320 -8.690 1.00 0.00 C ATOM 1340 CG LEU A 87 -16.047 10.587 -9.501 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -15.046 11.675 -9.136 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -15.986 10.264 -10.987 1.00 0.00 C ATOM 0 H LEU A 87 -18.037 9.370 -7.717 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.856 7.935 -9.911 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.698 9.589 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.756 8.958 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.048 10.949 -9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.261 12.575 -9.712 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.123 11.898 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -14.037 11.331 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.200 11.164 -11.564 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -14.990 9.900 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -16.724 9.497 -11.223 1.00 0.00 H new ATOM 1354 N ARG A 88 -15.585 6.044 -8.887 1.00 0.00 N ATOM 1355 CA ARG A 88 -14.912 4.890 -8.304 1.00 0.00 C ATOM 1356 C ARG A 88 -13.401 4.992 -8.469 1.00 0.00 C ATOM 1357 O ARG A 88 -12.886 4.959 -9.587 1.00 0.00 O ATOM 1358 CB ARG A 88 -15.404 3.601 -8.946 1.00 0.00 C ATOM 1359 CG ARG A 88 -14.754 2.333 -8.415 1.00 0.00 C ATOM 1360 CD ARG A 88 -15.463 1.115 -8.885 1.00 0.00 C ATOM 1361 NE ARG A 88 -15.456 1.010 -10.335 1.00 0.00 N ATOM 1362 CZ ARG A 88 -14.486 0.411 -11.054 1.00 0.00 C ATOM 1363 NH1 ARG A 88 -13.455 -0.130 -10.445 1.00 0.00 N ATOM 1364 NH2 ARG A 88 -14.573 0.367 -12.372 1.00 0.00 N ATOM 0 H ARG A 88 -15.516 6.103 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 88 -15.149 4.877 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.482 3.528 -8.800 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.231 3.658 -10.021 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.713 2.295 -8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.750 2.355 -7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -14.991 0.232 -8.455 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.492 1.133 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 88 -16.240 1.418 -10.844 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.389 -0.097 -9.428 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.721 -0.583 -10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.374 0.786 -12.845 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -13.839 -0.086 -12.917 1.00 0.00 H new ATOM 1378 N VAL A 89 -12.695 5.115 -7.350 1.00 0.00 N ATOM 1379 CA VAL A 89 -11.265 5.399 -7.374 1.00 0.00 C ATOM 1380 C VAL A 89 -10.491 4.402 -6.521 1.00 0.00 C ATOM 1381 O VAL A 89 -10.901 4.072 -5.408 1.00 0.00 O ATOM 1382 CB VAL A 89 -10.996 6.827 -6.861 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -9.507 7.137 -6.907 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -11.783 7.831 -7.689 1.00 0.00 C ATOM 0 H VAL A 89 -13.090 5.022 -6.414 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.927 5.311 -8.406 1.00 0.00 H new ATOM 0 HB VAL A 89 -11.323 6.899 -5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -9.335 8.149 -6.541 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.968 6.428 -6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -9.150 7.056 -7.934 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.588 8.838 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.477 7.761 -8.733 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.848 7.615 -7.607 1.00 0.00 H new ATOM 1394 N ASP A 90 -9.369 3.925 -7.050 1.00 0.00 N ATOM 1395 CA ASP A 90 -8.490 3.033 -6.304 1.00 0.00 C ATOM 1396 C ASP A 90 -7.045 3.170 -6.767 1.00 0.00 C ATOM 1397 O ASP A 90 -6.781 3.595 -7.892 1.00 0.00 O ATOM 1398 CB ASP A 90 -8.945 1.580 -6.456 1.00 0.00 C ATOM 1399 CG ASP A 90 -8.414 0.674 -5.353 1.00 0.00 C ATOM 1400 OD1 ASP A 90 -7.734 1.166 -4.483 1.00 0.00 O ATOM 1401 OD2 ASP A 90 -8.692 -0.500 -5.391 1.00 0.00 O ATOM 0 H ASP A 90 -9.047 4.142 -7.993 1.00 0.00 H new ATOM 0 HA ASP A 90 -8.545 3.317 -5.253 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.034 1.544 -6.456 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -8.614 1.200 -7.422 1.00 0.00 H new ATOM 1406 N ASN A 91 -6.112 2.808 -5.893 1.00 0.00 N ATOM 1407 CA ASN A 91 -4.692 2.984 -6.172 1.00 0.00 C ATOM 1408 C ASN A 91 -4.279 2.226 -7.428 1.00 0.00 C ATOM 1409 O ASN A 91 -4.600 1.049 -7.587 1.00 0.00 O ATOM 1410 CB ASN A 91 -3.856 2.544 -4.984 1.00 0.00 C ATOM 1411 CG ASN A 91 -2.421 2.980 -5.094 1.00 0.00 C ATOM 1412 OD1 ASN A 91 -1.718 2.610 -6.041 1.00 0.00 O ATOM 1413 ND2 ASN A 91 -1.973 3.761 -4.144 1.00 0.00 N ATOM 0 H ASN A 91 -6.314 2.391 -4.985 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.514 4.045 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.287 2.952 -4.070 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -3.896 1.458 -4.898 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.008 4.089 -4.167 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.589 4.041 -3.381 1.00 0.00 H new ATOM 1420 N ALA A 92 -3.566 2.909 -8.317 1.00 0.00 N ATOM 1421 CA ALA A 92 -3.245 2.357 -9.628 1.00 0.00 C ATOM 1422 C ALA A 92 -2.277 1.188 -9.511 1.00 0.00 C ATOM 1423 O ALA A 92 -2.140 0.387 -10.437 1.00 0.00 O ATOM 1424 CB ALA A 92 -2.665 3.437 -10.530 1.00 0.00 C ATOM 0 H ALA A 92 -3.199 3.847 -8.153 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.169 1.986 -10.072 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.430 3.010 -11.505 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.393 4.239 -10.651 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.756 3.837 -10.081 1.00 0.00 H new ATOM 1430 N ALA A 93 -1.605 1.094 -8.368 1.00 0.00 N ATOM 1431 CA ALA A 93 -0.653 0.017 -8.126 1.00 0.00 C ATOM 1432 C ALA A 93 -1.367 -1.278 -7.760 1.00 0.00 C ATOM 1433 O ALA A 93 -0.753 -2.344 -7.711 1.00 0.00 O ATOM 1434 CB ALA A 93 0.323 0.411 -7.027 1.00 0.00 C ATOM 0 H ALA A 93 -1.703 1.752 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.097 -0.154 -9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.028 -0.403 -6.857 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.868 1.306 -7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.227 0.613 -6.108 1.00 0.00 H new