USER MOD reduce.3.24.130724 H: found=0, std=0, add=1092, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 1092 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 87 GLN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Set 1.2: A 128 TYR OH : rot 174:sc= -1.2 USER MOD Set 2.1: A 75 GLN : amide:sc= -2.25! C(o=-2.2!,f=-2.1!) USER MOD Set 2.2: A 109 SER OG : rot -170:sc= 0.0733 USER MOD Set 2.3: A 114 MET CE :methyl 180:sc=-0.00374 (180deg=-0.00374) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= -5.78! (180deg=-5.82!) USER MOD Single : A 23 GLN : amide:sc= -0.173 K(o=-0.17,f=-2.6) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0338) USER MOD Single : A 43 GLN : amide:sc= -0.245 K(o=-0.24,f=-2.9!) USER MOD Single : A 45 MET CE :methyl -110:sc= -2.12! (180deg=-3.66!) USER MOD Single : A 54 THR OG1 : rot -105:sc= 1.24 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.105 USER MOD Single : A 66 GLN : amide:sc= -0.0303 X(o=-0.03,f=-0.4) USER MOD Single : A 68 HIS : no HD1:sc= -1.96 K(o=-2,f=-2.5) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 73 SER OG : rot 180:sc= -0.0834 USER MOD Single : A 76 GLN : amide:sc= -3.66 K(o=-3.7,f=-7.2!) USER MOD Single : A 79 THR OG1 : rot -50:sc= 0.209! USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 82 SER OG : rot -67:sc= 0.526 USER MOD Single : A 91 ASN : amide:sc= 0.323 K(o=0.32,f=-4.1!) USER MOD Single : A 106 CYS SG : rot 180:sc= -1.78! USER MOD Single : A 111 ASN : amide:sc= 0.382 K(o=0.38,f=-2.6!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc=-0.00428 K(o=-0.0043,f=-1.9) USER MOD Single : A 122 GLN : amide:sc= -3.28! C(o=-3.3!,f=-2!) USER MOD Single : A 125 MET CE :methyl -162:sc= -1.5 (180deg=-2.48!) USER MOD Single : A 131 THR OG1 : rot 54:sc= 1.15 USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 139 SER OG : rot 58:sc= 0.663 USER MOD Single : A 140 SER OG : rot 82:sc= 0.0987 USER MOD Single : A 147 THR OG1 : rot -21:sc= 0.305 USER MOD Single : A 150 TYR OH : rot 150:sc= -2.38! USER MOD Single : A 165 ASN : amide:sc= -0.709 X(o=-0.71,f=-0.31) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N ASP A 8 -12.035 11.579 11.099 1.00 0.00 N ATOM 87 CA ASP A 8 -10.988 10.697 11.602 1.00 0.00 C ATOM 88 C ASP A 8 -10.275 9.989 10.453 1.00 0.00 C ATOM 89 O ASP A 8 -10.871 9.181 9.744 1.00 0.00 O ATOM 90 CB ASP A 8 -11.578 9.664 12.562 1.00 0.00 C ATOM 91 CG ASP A 8 -10.622 9.306 13.681 1.00 0.00 C ATOM 92 OD1 ASP A 8 -9.429 9.667 13.582 1.00 0.00 O ATOM 93 OD2 ASP A 8 -11.064 8.666 14.658 1.00 0.00 O ATOM 0 HA ASP A 8 -10.261 11.307 12.138 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.503 10.054 12.988 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -11.838 8.763 12.007 1.00 0.00 H new ATOM 98 N THR A 9 -8.995 10.298 10.276 1.00 0.00 N ATOM 99 CA THR A 9 -8.204 9.687 9.212 1.00 0.00 C ATOM 100 C THR A 9 -7.730 8.295 9.614 1.00 0.00 C ATOM 101 O THR A 9 -7.523 7.430 8.762 1.00 0.00 O ATOM 102 CB THR A 9 -7.006 10.569 8.863 1.00 0.00 C ATOM 103 OG1 THR A 9 -7.392 11.930 8.785 1.00 0.00 O ATOM 104 CG2 THR A 9 -6.356 10.198 7.546 1.00 0.00 C ATOM 0 H THR A 9 -8.484 10.966 10.853 1.00 0.00 H new ATOM 0 HA THR A 9 -8.841 9.592 8.332 1.00 0.00 H new ATOM 0 HB THR A 9 -6.284 10.410 9.664 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.611 12.479 8.562 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.512 10.862 7.357 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.004 9.167 7.592 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.084 10.297 6.740 1.00 0.00 H new ATOM 112 N ARG A 10 -7.564 8.084 10.917 1.00 0.00 N ATOM 113 CA ARG A 10 -7.117 6.796 11.434 1.00 0.00 C ATOM 114 C ARG A 10 -8.126 5.702 11.107 1.00 0.00 C ATOM 115 O ARG A 10 -7.766 4.644 10.591 1.00 0.00 O ATOM 116 CB ARG A 10 -6.907 6.875 12.948 1.00 0.00 C ATOM 117 CG ARG A 10 -6.153 8.119 13.393 1.00 0.00 C ATOM 118 CD ARG A 10 -5.016 7.777 14.345 1.00 0.00 C ATOM 119 NE ARG A 10 -4.370 8.977 14.877 1.00 0.00 N ATOM 120 CZ ARG A 10 -4.587 9.461 16.099 1.00 0.00 C ATOM 121 NH1 ARG A 10 -5.428 8.852 16.927 1.00 0.00 N ATOM 122 NH2 ARG A 10 -3.962 10.562 16.494 1.00 0.00 N ATOM 0 H ARG A 10 -7.733 8.790 11.634 1.00 0.00 H new ATOM 0 HA ARG A 10 -6.169 6.549 10.955 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.878 6.852 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.360 5.991 13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.754 8.635 12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.843 8.807 13.882 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.401 7.176 15.169 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.277 7.168 13.824 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.713 9.474 14.275 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.914 8.006 16.629 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.588 9.230 17.861 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.317 11.037 15.863 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.127 10.934 17.429 1.00 0.00 H new ATOM 136 N ALA A 11 -9.395 5.967 11.407 1.00 0.00 N ATOM 137 CA ALA A 11 -10.462 5.008 11.144 1.00 0.00 C ATOM 138 C ALA A 11 -10.381 4.470 9.720 1.00 0.00 C ATOM 139 O ALA A 11 -10.442 3.262 9.497 1.00 0.00 O ATOM 140 CB ALA A 11 -11.817 5.652 11.391 1.00 0.00 C ATOM 0 H ALA A 11 -9.709 6.839 11.833 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.339 4.167 11.827 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -12.606 4.927 11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.880 5.981 12.428 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.938 6.511 10.730 1.00 0.00 H new ATOM 146 N LEU A 12 -10.242 5.377 8.758 1.00 0.00 N ATOM 147 CA LEU A 12 -10.150 4.993 7.356 1.00 0.00 C ATOM 148 C LEU A 12 -8.898 4.162 7.103 1.00 0.00 C ATOM 149 O LEU A 12 -8.888 3.280 6.245 1.00 0.00 O ATOM 150 CB LEU A 12 -10.140 6.235 6.464 1.00 0.00 C ATOM 151 CG LEU A 12 -11.285 7.217 6.710 1.00 0.00 C ATOM 152 CD1 LEU A 12 -11.073 8.491 5.910 1.00 0.00 C ATOM 153 CD2 LEU A 12 -12.620 6.577 6.357 1.00 0.00 C ATOM 0 H LEU A 12 -10.191 6.382 8.925 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.023 4.388 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.195 6.759 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.173 5.916 5.422 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.298 7.475 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.897 9.179 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.135 8.958 6.211 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.034 8.251 4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.424 7.290 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -12.619 6.290 5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.774 5.692 6.974 1.00 0.00 H new ATOM 165 N VAL A 13 -7.842 4.448 7.857 1.00 0.00 N ATOM 166 CA VAL A 13 -6.589 3.724 7.712 1.00 0.00 C ATOM 167 C VAL A 13 -6.766 2.253 8.069 1.00 0.00 C ATOM 168 O VAL A 13 -6.732 1.388 7.194 1.00 0.00 O ATOM 169 CB VAL A 13 -5.478 4.331 8.592 1.00 0.00 C ATOM 170 CG1 VAL A 13 -4.148 3.646 8.318 1.00 0.00 C ATOM 171 CG2 VAL A 13 -5.370 5.831 8.356 1.00 0.00 C ATOM 0 H VAL A 13 -7.831 5.175 8.573 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.292 3.809 6.667 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.738 4.168 9.638 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.375 4.087 8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.234 2.582 8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.880 3.777 7.270 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.581 6.242 8.985 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.134 6.018 7.309 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.318 6.308 8.605 1.00 0.00 H new ATOM 181 N ALA A 14 -6.970 1.974 9.354 1.00 0.00 N ATOM 182 CA ALA A 14 -7.161 0.605 9.818 1.00 0.00 C ATOM 183 C ALA A 14 -8.344 -0.053 9.116 1.00 0.00 C ATOM 184 O ALA A 14 -8.430 -1.279 9.047 1.00 0.00 O ATOM 185 CB ALA A 14 -7.365 0.583 11.324 1.00 0.00 C ATOM 0 H ALA A 14 -7.007 2.678 10.091 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.263 0.037 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.506 -0.445 11.657 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.489 1.007 11.816 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.246 1.172 11.581 1.00 0.00 H new ATOM 191 N ASP A 15 -9.256 0.764 8.596 1.00 0.00 N ATOM 192 CA ASP A 15 -10.428 0.246 7.903 1.00 0.00 C ATOM 193 C ASP A 15 -10.014 -0.556 6.674 1.00 0.00 C ATOM 194 O ASP A 15 -10.355 -1.731 6.546 1.00 0.00 O ATOM 195 CB ASP A 15 -11.361 1.388 7.495 1.00 0.00 C ATOM 196 CG ASP A 15 -12.554 1.514 8.422 1.00 0.00 C ATOM 197 OD1 ASP A 15 -12.350 1.524 9.655 1.00 0.00 O ATOM 198 OD2 ASP A 15 -13.693 1.600 7.917 1.00 0.00 O ATOM 0 H ASP A 15 -9.205 1.782 8.642 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.962 -0.414 8.587 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -10.805 2.325 7.492 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.711 1.222 6.476 1.00 0.00 H new ATOM 203 N PHE A 16 -9.275 0.088 5.777 1.00 0.00 N ATOM 204 CA PHE A 16 -8.808 -0.562 4.558 1.00 0.00 C ATOM 205 C PHE A 16 -7.806 -1.661 4.875 1.00 0.00 C ATOM 206 O PHE A 16 -7.687 -2.632 4.135 1.00 0.00 O ATOM 207 CB PHE A 16 -8.156 0.458 3.628 1.00 0.00 C ATOM 208 CG PHE A 16 -7.975 -0.042 2.223 1.00 0.00 C ATOM 209 CD1 PHE A 16 -6.935 -0.898 1.911 1.00 0.00 C ATOM 210 CD2 PHE A 16 -8.845 0.340 1.219 1.00 0.00 C ATOM 211 CE1 PHE A 16 -6.766 -1.365 0.621 1.00 0.00 C ATOM 212 CE2 PHE A 16 -8.683 -0.121 -0.074 1.00 0.00 C ATOM 213 CZ PHE A 16 -7.646 -0.974 -0.373 1.00 0.00 C ATOM 0 H PHE A 16 -8.986 1.062 5.872 1.00 0.00 H new ATOM 0 HA PHE A 16 -9.674 -1.004 4.066 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.766 1.361 3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -7.184 0.738 4.034 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -6.247 -1.205 2.684 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -9.662 1.008 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.950 -2.033 0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.370 0.188 -0.848 1.00 0.00 H new ATOM 0 HZ PHE A 16 -7.519 -1.338 -1.382 1.00 0.00 H new ATOM 223 N VAL A 17 -7.091 -1.503 5.981 1.00 0.00 N ATOM 224 CA VAL A 17 -6.099 -2.485 6.390 1.00 0.00 C ATOM 225 C VAL A 17 -6.760 -3.793 6.812 1.00 0.00 C ATOM 226 O VAL A 17 -6.656 -4.804 6.119 1.00 0.00 O ATOM 227 CB VAL A 17 -5.229 -1.953 7.544 1.00 0.00 C ATOM 228 CG1 VAL A 17 -4.194 -2.991 7.959 1.00 0.00 C ATOM 229 CG2 VAL A 17 -4.553 -0.649 7.142 1.00 0.00 C ATOM 0 H VAL A 17 -7.180 -0.705 6.610 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.461 -2.674 5.527 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.874 -1.756 8.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.589 -2.596 8.775 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.700 -3.898 8.289 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.550 -3.223 7.110 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.942 -0.286 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.921 -0.820 6.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.312 0.094 6.898 1.00 0.00 H new ATOM 239 N GLY A 18 -7.441 -3.766 7.954 1.00 0.00 N ATOM 240 CA GLY A 18 -8.110 -4.957 8.449 1.00 0.00 C ATOM 241 C GLY A 18 -8.922 -5.659 7.376 1.00 0.00 C ATOM 242 O GLY A 18 -8.851 -6.880 7.234 1.00 0.00 O ATOM 0 H GLY A 18 -7.542 -2.941 8.546 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.367 -5.648 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.766 -4.684 9.275 1.00 0.00 H new ATOM 246 N TYR A 19 -9.691 -4.884 6.616 1.00 0.00 N ATOM 247 CA TYR A 19 -10.514 -5.440 5.549 1.00 0.00 C ATOM 248 C TYR A 19 -9.644 -6.090 4.488 1.00 0.00 C ATOM 249 O TYR A 19 -9.938 -7.188 4.016 1.00 0.00 O ATOM 250 CB TYR A 19 -11.380 -4.349 4.913 1.00 0.00 C ATOM 251 CG TYR A 19 -12.851 -4.480 5.233 1.00 0.00 C ATOM 252 CD1 TYR A 19 -13.330 -4.215 6.509 1.00 0.00 C ATOM 253 CD2 TYR A 19 -13.762 -4.871 4.257 1.00 0.00 C ATOM 254 CE1 TYR A 19 -14.675 -4.335 6.805 1.00 0.00 C ATOM 255 CE2 TYR A 19 -15.108 -4.993 4.546 1.00 0.00 C ATOM 256 CZ TYR A 19 -15.559 -4.723 5.821 1.00 0.00 C ATOM 257 OH TYR A 19 -16.899 -4.843 6.113 1.00 0.00 O ATOM 0 H TYR A 19 -9.761 -3.872 6.720 1.00 0.00 H new ATOM 0 HA TYR A 19 -11.165 -6.198 5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.029 -3.374 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -11.248 -4.377 3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -12.641 -3.910 7.283 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -13.412 -5.083 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.032 -4.126 7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -15.803 -5.298 3.778 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.385 -5.124 5.310 1.00 0.00 H new ATOM 267 N LYS A 20 -8.573 -5.405 4.112 1.00 0.00 N ATOM 268 CA LYS A 20 -7.666 -5.921 3.104 1.00 0.00 C ATOM 269 C LYS A 20 -7.065 -7.253 3.532 1.00 0.00 C ATOM 270 O LYS A 20 -6.686 -8.070 2.693 1.00 0.00 O ATOM 271 CB LYS A 20 -6.555 -4.926 2.809 1.00 0.00 C ATOM 272 CG LYS A 20 -6.038 -5.033 1.388 1.00 0.00 C ATOM 273 CD LYS A 20 -4.633 -5.608 1.349 1.00 0.00 C ATOM 274 CE LYS A 20 -3.711 -4.765 0.489 1.00 0.00 C ATOM 275 NZ LYS A 20 -2.408 -4.520 1.152 1.00 0.00 N ATOM 0 H LYS A 20 -8.314 -4.494 4.490 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.247 -6.078 2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.923 -3.915 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.732 -5.090 3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.707 -5.664 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.042 -4.047 0.923 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.235 -5.667 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.666 -6.626 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.545 -5.266 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.191 -3.812 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.896 -3.771 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.569 -4.224 2.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.844 -5.393 1.142 1.00 0.00 H new ATOM 289 N LEU A 21 -6.984 -7.469 4.840 1.00 0.00 N ATOM 290 CA LEU A 21 -6.433 -8.706 5.377 1.00 0.00 C ATOM 291 C LEU A 21 -7.447 -9.840 5.259 1.00 0.00 C ATOM 292 O LEU A 21 -7.095 -10.973 4.932 1.00 0.00 O ATOM 293 CB LEU A 21 -6.032 -8.511 6.841 1.00 0.00 C ATOM 294 CG LEU A 21 -4.987 -9.492 7.375 1.00 0.00 C ATOM 295 CD1 LEU A 21 -4.676 -9.185 8.832 1.00 0.00 C ATOM 296 CD2 LEU A 21 -5.467 -10.928 7.217 1.00 0.00 C ATOM 0 H LEU A 21 -7.293 -6.803 5.548 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.548 -8.970 4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.649 -7.498 6.963 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.927 -8.590 7.458 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.072 -9.377 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.931 -9.890 9.201 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.288 -8.170 8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.586 -9.275 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.709 -11.610 7.603 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.395 -11.065 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.642 -11.139 6.162 1.00 0.00 H new ATOM 308 N ARG A 22 -8.710 -9.523 5.533 1.00 0.00 N ATOM 309 CA ARG A 22 -9.783 -10.512 5.466 1.00 0.00 C ATOM 310 C ARG A 22 -10.193 -10.794 4.023 1.00 0.00 C ATOM 311 O ARG A 22 -10.467 -11.937 3.661 1.00 0.00 O ATOM 312 CB ARG A 22 -10.996 -10.039 6.268 1.00 0.00 C ATOM 313 CG ARG A 22 -12.092 -11.089 6.380 1.00 0.00 C ATOM 314 CD ARG A 22 -12.722 -11.103 7.762 1.00 0.00 C ATOM 315 NE ARG A 22 -14.028 -10.451 7.769 1.00 0.00 N ATOM 316 CZ ARG A 22 -14.366 -9.466 8.596 1.00 0.00 C ATOM 317 NH1 ARG A 22 -13.496 -9.005 9.489 1.00 0.00 N ATOM 318 NH2 ARG A 22 -15.581 -8.940 8.533 1.00 0.00 N ATOM 0 H ARG A 22 -9.016 -8.588 5.804 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.405 -11.438 5.899 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -10.672 -9.754 7.269 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.406 -9.145 5.799 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -12.861 -10.893 5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.677 -12.073 6.160 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.828 -12.133 8.103 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.061 -10.600 8.468 1.00 0.00 H new ATOM 0 HE ARG A 22 -14.725 -10.771 7.097 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.560 -9.407 9.544 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.764 -8.249 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.254 -9.291 7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.843 -8.184 9.166 1.00 0.00 H new ATOM 332 N GLN A 23 -10.231 -9.748 3.199 1.00 0.00 N ATOM 333 CA GLN A 23 -10.606 -9.903 1.795 1.00 0.00 C ATOM 334 C GLN A 23 -9.613 -10.800 1.057 1.00 0.00 C ATOM 335 O GLN A 23 -9.877 -11.241 -0.060 1.00 0.00 O ATOM 336 CB GLN A 23 -10.688 -8.540 1.104 1.00 0.00 C ATOM 337 CG GLN A 23 -9.452 -7.685 1.292 1.00 0.00 C ATOM 338 CD GLN A 23 -8.557 -7.669 0.068 1.00 0.00 C ATOM 339 OE1 GLN A 23 -7.654 -8.497 -0.064 1.00 0.00 O ATOM 340 NE2 GLN A 23 -8.801 -6.725 -0.832 1.00 0.00 N ATOM 0 H GLN A 23 -10.009 -8.792 3.476 1.00 0.00 H new ATOM 0 HA GLN A 23 -11.588 -10.375 1.765 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.854 -8.693 0.038 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -11.554 -8.000 1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -9.754 -6.665 1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.885 -8.056 2.146 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.560 -6.060 -0.681 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.230 -6.664 -1.675 1.00 0.00 H new ATOM 349 N LYS A 24 -8.471 -11.069 1.689 1.00 0.00 N ATOM 350 CA LYS A 24 -7.446 -11.916 1.092 1.00 0.00 C ATOM 351 C LYS A 24 -7.249 -13.195 1.905 1.00 0.00 C ATOM 352 O LYS A 24 -6.454 -14.059 1.533 1.00 0.00 O ATOM 353 CB LYS A 24 -6.125 -11.150 0.987 1.00 0.00 C ATOM 354 CG LYS A 24 -5.653 -10.947 -0.444 1.00 0.00 C ATOM 355 CD LYS A 24 -4.238 -11.469 -0.649 1.00 0.00 C ATOM 356 CE LYS A 24 -4.011 -11.913 -2.085 1.00 0.00 C ATOM 357 NZ LYS A 24 -4.259 -10.808 -3.053 1.00 0.00 N ATOM 0 H LYS A 24 -8.235 -10.711 2.615 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.777 -12.196 0.092 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.240 -10.177 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.357 -11.689 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.332 -11.458 -1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.689 -9.886 -0.692 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.521 -10.690 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.057 -12.306 0.025 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.988 -12.271 -2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.669 -12.751 -2.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.934 -11.095 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.277 -10.598 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.740 -9.959 -2.751 1.00 0.00 H new ATOM 589 N GLN A 43 -15.452 3.631 -2.367 1.00 0.00 N ATOM 590 CA GLN A 43 -15.114 4.029 -3.728 1.00 0.00 C ATOM 591 C GLN A 43 -13.657 4.461 -3.823 1.00 0.00 C ATOM 592 O GLN A 43 -12.873 3.863 -4.556 1.00 0.00 O ATOM 593 CB GLN A 43 -16.020 5.171 -4.194 1.00 0.00 C ATOM 594 CG GLN A 43 -16.004 5.374 -5.700 1.00 0.00 C ATOM 595 CD GLN A 43 -16.364 6.790 -6.107 1.00 0.00 C ATOM 596 OE1 GLN A 43 -16.554 7.663 -5.260 1.00 0.00 O ATOM 597 NE2 GLN A 43 -16.459 7.022 -7.410 1.00 0.00 N ATOM 0 HA GLN A 43 -15.266 3.165 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -17.042 4.969 -3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -15.709 6.095 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -15.013 5.131 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -16.704 4.679 -6.163 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -16.293 6.267 -8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -16.698 7.955 -7.746 1.00 0.00 H new ATOM 606 N ALA A 44 -13.302 5.501 -3.071 1.00 0.00 N ATOM 607 CA ALA A 44 -11.937 6.019 -3.063 1.00 0.00 C ATOM 608 C ALA A 44 -10.946 4.939 -2.651 1.00 0.00 C ATOM 609 O ALA A 44 -9.959 4.680 -3.341 1.00 0.00 O ATOM 610 CB ALA A 44 -11.835 7.201 -2.106 1.00 0.00 C ATOM 0 H ALA A 44 -13.944 6.003 -2.457 1.00 0.00 H new ATOM 0 HA ALA A 44 -11.691 6.346 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -10.814 7.582 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -12.516 7.989 -2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.102 6.879 -1.100 1.00 0.00 H new ATOM 616 N MET A 45 -11.221 4.323 -1.510 1.00 0.00 N ATOM 617 CA MET A 45 -10.373 3.272 -0.963 1.00 0.00 C ATOM 618 C MET A 45 -10.109 2.165 -1.984 1.00 0.00 C ATOM 619 O MET A 45 -8.957 1.866 -2.307 1.00 0.00 O ATOM 620 CB MET A 45 -11.031 2.701 0.289 1.00 0.00 C ATOM 621 CG MET A 45 -11.089 3.696 1.437 1.00 0.00 C ATOM 622 SD MET A 45 -9.882 3.348 2.724 1.00 0.00 S ATOM 623 CE MET A 45 -8.590 4.515 2.311 1.00 0.00 C ATOM 0 H MET A 45 -12.037 4.537 -0.937 1.00 0.00 H new ATOM 0 HA MET A 45 -9.406 3.706 -0.707 1.00 0.00 H new ATOM 0 HB2 MET A 45 -12.043 2.377 0.045 1.00 0.00 H new ATOM 0 HB3 MET A 45 -10.481 1.816 0.610 1.00 0.00 H new ATOM 0 HG2 MET A 45 -10.920 4.701 1.050 1.00 0.00 H new ATOM 0 HG3 MET A 45 -12.089 3.685 1.871 1.00 0.00 H new ATOM 0 HE1 MET A 45 -7.722 3.977 1.931 1.00 0.00 H new ATOM 0 HE2 MET A 45 -8.952 5.204 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 45 -8.308 5.076 3.202 1.00 0.00 H new ATOM 633 N ARG A 46 -11.178 1.557 -2.482 1.00 0.00 N ATOM 634 CA ARG A 46 -11.069 0.485 -3.464 1.00 0.00 C ATOM 635 C ARG A 46 -10.427 0.994 -4.754 1.00 0.00 C ATOM 636 O ARG A 46 -9.535 0.352 -5.310 1.00 0.00 O ATOM 637 CB ARG A 46 -12.450 -0.087 -3.790 1.00 0.00 C ATOM 638 CG ARG A 46 -12.943 -1.132 -2.801 1.00 0.00 C ATOM 639 CD ARG A 46 -12.695 -2.543 -3.311 1.00 0.00 C ATOM 640 NE ARG A 46 -13.157 -2.718 -4.690 1.00 0.00 N ATOM 641 CZ ARG A 46 -14.168 -3.507 -5.046 1.00 0.00 C ATOM 642 NH1 ARG A 46 -14.823 -4.216 -4.135 1.00 0.00 N ATOM 643 NH2 ARG A 46 -14.523 -3.593 -6.320 1.00 0.00 N ATOM 0 H ARG A 46 -12.136 1.790 -2.220 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.442 -0.296 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.170 0.731 -3.826 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.421 -0.530 -4.785 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.438 -0.996 -1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.009 -0.991 -2.622 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.630 -2.767 -3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.205 -3.257 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.673 -2.202 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -14.553 -4.159 -3.153 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.597 -4.818 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.022 -3.055 -7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.298 -4.197 -6.594 1.00 0.00 H new ATOM 657 N ALA A 47 -10.899 2.149 -5.230 1.00 0.00 N ATOM 658 CA ALA A 47 -10.383 2.745 -6.461 1.00 0.00 C ATOM 659 C ALA A 47 -8.864 2.796 -6.455 1.00 0.00 C ATOM 660 O ALA A 47 -8.223 2.338 -7.393 1.00 0.00 O ATOM 661 CB ALA A 47 -10.959 4.137 -6.671 1.00 0.00 C ATOM 0 H ALA A 47 -11.638 2.689 -4.780 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.697 2.111 -7.290 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -10.561 4.560 -7.593 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.045 4.075 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.685 4.775 -5.831 1.00 0.00 H new ATOM 667 N ALA A 48 -8.295 3.350 -5.389 1.00 0.00 N ATOM 668 CA ALA A 48 -6.844 3.448 -5.261 1.00 0.00 C ATOM 669 C ALA A 48 -6.200 2.074 -5.386 1.00 0.00 C ATOM 670 O ALA A 48 -5.388 1.832 -6.279 1.00 0.00 O ATOM 671 CB ALA A 48 -6.472 4.078 -3.927 1.00 0.00 C ATOM 0 H ALA A 48 -8.815 3.738 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.472 4.081 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.387 4.144 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.902 5.077 -3.864 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.860 3.464 -3.114 1.00 0.00 H new ATOM 677 N GLY A 49 -6.571 1.180 -4.477 1.00 0.00 N ATOM 678 CA GLY A 49 -6.028 -0.165 -4.486 1.00 0.00 C ATOM 679 C GLY A 49 -6.142 -0.832 -5.844 1.00 0.00 C ATOM 680 O GLY A 49 -5.148 -1.292 -6.408 1.00 0.00 O ATOM 0 H GLY A 49 -7.241 1.364 -3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.980 -0.132 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.551 -0.769 -3.744 1.00 0.00 H new ATOM 684 N ASP A 50 -7.360 -0.882 -6.369 1.00 0.00 N ATOM 685 CA ASP A 50 -7.606 -1.494 -7.669 1.00 0.00 C ATOM 686 C ASP A 50 -6.923 -0.708 -8.785 1.00 0.00 C ATOM 687 O ASP A 50 -6.663 -1.242 -9.860 1.00 0.00 O ATOM 688 CB ASP A 50 -9.110 -1.582 -7.938 1.00 0.00 C ATOM 689 CG ASP A 50 -9.532 -2.964 -8.393 1.00 0.00 C ATOM 690 OD1 ASP A 50 -8.770 -3.596 -9.155 1.00 0.00 O ATOM 691 OD2 ASP A 50 -10.623 -3.417 -7.985 1.00 0.00 O ATOM 0 H ASP A 50 -8.193 -0.506 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.186 -2.500 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.655 -1.318 -7.032 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.384 -0.852 -8.699 1.00 0.00 H new ATOM 696 N GLU A 51 -6.636 0.564 -8.525 1.00 0.00 N ATOM 697 CA GLU A 51 -5.988 1.416 -9.513 1.00 0.00 C ATOM 698 C GLU A 51 -4.590 0.902 -9.836 1.00 0.00 C ATOM 699 O GLU A 51 -4.234 0.745 -11.002 1.00 0.00 O ATOM 700 CB GLU A 51 -5.908 2.863 -9.010 1.00 0.00 C ATOM 701 CG GLU A 51 -6.662 3.851 -9.887 1.00 0.00 C ATOM 702 CD GLU A 51 -7.834 4.497 -9.172 1.00 0.00 C ATOM 703 OE1 GLU A 51 -8.937 3.912 -9.194 1.00 0.00 O ATOM 704 OE2 GLU A 51 -7.647 5.586 -8.592 1.00 0.00 O ATOM 0 H GLU A 51 -6.842 1.026 -7.639 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.589 1.392 -10.422 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.307 2.910 -7.997 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.862 3.163 -8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.976 4.627 -10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.024 3.337 -10.777 1.00 0.00 H new ATOM 711 N PHE A 52 -3.803 0.643 -8.795 1.00 0.00 N ATOM 712 CA PHE A 52 -2.439 0.152 -8.968 1.00 0.00 C ATOM 713 C PHE A 52 -2.424 -1.287 -9.482 1.00 0.00 C ATOM 714 O PHE A 52 -1.560 -1.661 -10.266 1.00 0.00 O ATOM 715 CB PHE A 52 -1.658 0.244 -7.647 1.00 0.00 C ATOM 716 CG PHE A 52 -2.063 -0.785 -6.625 1.00 0.00 C ATOM 717 CD1 PHE A 52 -1.747 -2.125 -6.801 1.00 0.00 C ATOM 718 CD2 PHE A 52 -2.764 -0.412 -5.491 1.00 0.00 C ATOM 719 CE1 PHE A 52 -2.127 -3.071 -5.867 1.00 0.00 C ATOM 720 CE2 PHE A 52 -3.146 -1.355 -4.555 1.00 0.00 C ATOM 721 CZ PHE A 52 -2.830 -2.684 -4.742 1.00 0.00 C ATOM 0 H PHE A 52 -4.087 0.765 -7.823 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.956 0.785 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.594 0.134 -7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.798 1.238 -7.222 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.197 -2.433 -7.678 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.015 0.627 -5.336 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.875 -4.110 -6.016 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.693 -1.050 -3.675 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.131 -3.420 -4.011 1.00 0.00 H new ATOM 731 N GLU A 53 -3.366 -2.099 -9.016 1.00 0.00 N ATOM 732 CA GLU A 53 -3.424 -3.500 -9.420 1.00 0.00 C ATOM 733 C GLU A 53 -3.881 -3.657 -10.869 1.00 0.00 C ATOM 734 O GLU A 53 -3.531 -4.631 -11.533 1.00 0.00 O ATOM 735 CB GLU A 53 -4.350 -4.280 -8.488 1.00 0.00 C ATOM 736 CG GLU A 53 -3.691 -5.503 -7.870 1.00 0.00 C ATOM 737 CD GLU A 53 -4.129 -6.793 -8.532 1.00 0.00 C ATOM 738 OE1 GLU A 53 -4.237 -6.814 -9.777 1.00 0.00 O ATOM 739 OE2 GLU A 53 -4.365 -7.782 -7.808 1.00 0.00 O ATOM 0 H GLU A 53 -4.096 -1.815 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.414 -3.905 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.693 -3.619 -7.692 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.233 -4.594 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.608 -5.407 -7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.931 -5.544 -6.808 1.00 0.00 H new ATOM 746 N THR A 54 -4.662 -2.700 -11.356 1.00 0.00 N ATOM 747 CA THR A 54 -5.155 -2.748 -12.727 1.00 0.00 C ATOM 748 C THR A 54 -4.188 -2.046 -13.670 1.00 0.00 C ATOM 749 O THR A 54 -3.939 -2.509 -14.783 1.00 0.00 O ATOM 750 CB THR A 54 -6.530 -2.087 -12.819 1.00 0.00 C ATOM 751 OG1 THR A 54 -6.467 -0.745 -12.371 1.00 0.00 O ATOM 752 CG2 THR A 54 -7.593 -2.791 -12.006 1.00 0.00 C ATOM 0 H THR A 54 -4.967 -1.884 -10.824 1.00 0.00 H new ATOM 0 HA THR A 54 -5.238 -3.794 -13.021 1.00 0.00 H new ATOM 0 HB THR A 54 -6.808 -2.144 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.868 -0.679 -11.479 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.543 -2.268 -12.118 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.700 -3.817 -12.358 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.303 -2.796 -10.955 1.00 0.00 H new ATOM 760 N ARG A 55 -3.653 -0.916 -13.216 1.00 0.00 N ATOM 761 CA ARG A 55 -2.719 -0.132 -14.015 1.00 0.00 C ATOM 762 C ARG A 55 -1.635 -1.011 -14.645 1.00 0.00 C ATOM 763 O ARG A 55 -1.436 -0.994 -15.859 1.00 0.00 O ATOM 764 CB ARG A 55 -2.081 0.963 -13.151 1.00 0.00 C ATOM 765 CG ARG A 55 -2.448 2.377 -13.586 1.00 0.00 C ATOM 766 CD ARG A 55 -3.363 3.062 -12.588 1.00 0.00 C ATOM 767 NE ARG A 55 -4.731 3.203 -13.099 1.00 0.00 N ATOM 768 CZ ARG A 55 -5.506 4.275 -12.893 1.00 0.00 C ATOM 769 NH1 ARG A 55 -5.058 5.310 -12.197 1.00 0.00 N ATOM 770 NH2 ARG A 55 -6.740 4.304 -13.381 1.00 0.00 N ATOM 0 H ARG A 55 -3.852 -0.523 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.280 0.330 -14.827 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.387 0.820 -12.115 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.997 0.853 -13.182 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.539 2.966 -13.707 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -2.937 2.341 -14.560 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -3.380 2.490 -11.661 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -2.963 4.047 -12.347 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.117 2.434 -13.647 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -4.114 5.295 -11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.658 6.121 -12.047 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.097 3.510 -13.912 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -7.331 5.120 -13.225 1.00 0.00 H new ATOM 784 N PHE A 56 -0.939 -1.776 -13.809 1.00 0.00 N ATOM 785 CA PHE A 56 0.125 -2.668 -14.268 1.00 0.00 C ATOM 786 C PHE A 56 -0.422 -4.065 -14.558 1.00 0.00 C ATOM 787 O PHE A 56 -1.531 -4.220 -15.068 1.00 0.00 O ATOM 788 CB PHE A 56 1.244 -2.743 -13.220 1.00 0.00 C ATOM 789 CG PHE A 56 1.554 -1.431 -12.558 1.00 0.00 C ATOM 790 CD1 PHE A 56 0.654 -0.859 -11.677 1.00 0.00 C ATOM 791 CD2 PHE A 56 2.739 -0.769 -12.816 1.00 0.00 C ATOM 792 CE1 PHE A 56 0.924 0.346 -11.069 1.00 0.00 C ATOM 793 CE2 PHE A 56 3.012 0.438 -12.207 1.00 0.00 C ATOM 794 CZ PHE A 56 2.105 0.995 -11.336 1.00 0.00 C ATOM 0 H PHE A 56 -1.094 -1.797 -12.801 1.00 0.00 H new ATOM 0 HA PHE A 56 0.534 -2.263 -15.194 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.962 -3.466 -12.455 1.00 0.00 H new ATOM 0 HB3 PHE A 56 2.149 -3.120 -13.697 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.275 -1.366 -11.463 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.456 -1.200 -13.499 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.210 0.780 -10.385 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.941 0.948 -12.415 1.00 0.00 H new ATOM 0 HZ PHE A 56 2.321 1.941 -10.863 1.00 0.00 H new ATOM 804 N ARG A 57 0.363 -5.078 -14.207 1.00 0.00 N ATOM 805 CA ARG A 57 -0.032 -6.459 -14.396 1.00 0.00 C ATOM 806 C ARG A 57 0.414 -7.293 -13.200 1.00 0.00 C ATOM 807 O ARG A 57 -0.316 -7.418 -12.218 1.00 0.00 O ATOM 808 CB ARG A 57 0.554 -7.021 -15.693 1.00 0.00 C ATOM 809 CG ARG A 57 0.041 -6.337 -16.947 1.00 0.00 C ATOM 810 CD ARG A 57 1.129 -6.238 -18.005 1.00 0.00 C ATOM 811 NE ARG A 57 1.652 -7.552 -18.375 1.00 0.00 N ATOM 812 CZ ARG A 57 2.596 -7.744 -19.293 1.00 0.00 C ATOM 813 NH1 ARG A 57 3.132 -6.711 -19.933 1.00 0.00 N ATOM 814 NH2 ARG A 57 3.002 -8.974 -19.580 1.00 0.00 N ATOM 0 H ARG A 57 1.285 -4.961 -13.786 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.118 -6.504 -14.473 1.00 0.00 H new ATOM 0 HB2 ARG A 57 1.640 -6.929 -15.659 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.326 -8.085 -15.752 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.808 -6.892 -17.346 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.320 -5.339 -16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.730 -5.744 -18.891 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.942 -5.616 -17.632 1.00 0.00 H new ATOM 0 HE ARG A 57 1.270 -8.371 -17.901 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.820 -5.763 -19.722 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.855 -6.866 -20.635 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.591 -9.773 -19.097 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.726 -9.121 -20.284 1.00 0.00 H new ATOM 828 N ARG A 58 1.623 -7.845 -13.275 1.00 0.00 N ATOM 829 CA ARG A 58 2.158 -8.649 -12.190 1.00 0.00 C ATOM 830 C ARG A 58 3.537 -8.154 -11.777 1.00 0.00 C ATOM 831 O ARG A 58 4.505 -8.908 -11.793 1.00 0.00 O ATOM 832 CB ARG A 58 2.238 -10.119 -12.600 1.00 0.00 C ATOM 833 CG ARG A 58 0.946 -10.666 -13.186 1.00 0.00 C ATOM 834 CD ARG A 58 -0.227 -10.461 -12.240 1.00 0.00 C ATOM 835 NE ARG A 58 0.022 -11.048 -10.924 1.00 0.00 N ATOM 836 CZ ARG A 58 0.140 -10.342 -9.798 1.00 0.00 C ATOM 837 NH1 ARG A 58 0.006 -9.020 -9.810 1.00 0.00 N ATOM 838 NH2 ARG A 58 0.390 -10.963 -8.653 1.00 0.00 N ATOM 0 H ARG A 58 2.246 -7.748 -14.076 1.00 0.00 H new ATOM 0 HA ARG A 58 1.483 -8.554 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.037 -10.239 -13.332 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.511 -10.715 -11.729 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.739 -10.173 -14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.063 -11.729 -13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.422 -9.394 -12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.123 -10.906 -12.672 1.00 0.00 H new ATOM 0 HE ARG A 58 0.111 -12.062 -10.863 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.189 -8.535 -10.686 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.098 -8.490 -8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.492 -11.978 -8.635 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.481 -10.426 -7.791 1.00 0.00 H new ATOM 852 N THR A 59 3.610 -6.881 -11.411 1.00 0.00 N ATOM 853 CA THR A 59 4.863 -6.260 -10.992 1.00 0.00 C ATOM 854 C THR A 59 5.394 -6.887 -9.705 1.00 0.00 C ATOM 855 O THR A 59 6.601 -6.900 -9.463 1.00 0.00 O ATOM 856 CB THR A 59 4.663 -4.757 -10.798 1.00 0.00 C ATOM 857 OG1 THR A 59 4.023 -4.187 -11.926 1.00 0.00 O ATOM 858 CG2 THR A 59 5.955 -3.997 -10.571 1.00 0.00 C ATOM 0 H THR A 59 2.808 -6.251 -11.396 1.00 0.00 H new ATOM 0 HA THR A 59 5.600 -6.429 -11.777 1.00 0.00 H new ATOM 0 HB THR A 59 4.048 -4.665 -9.903 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.902 -3.225 -11.782 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.736 -2.937 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.449 -4.377 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.611 -4.129 -11.431 1.00 0.00 H new ATOM 866 N PHE A 60 4.480 -7.391 -8.876 1.00 0.00 N ATOM 867 CA PHE A 60 4.841 -8.010 -7.599 1.00 0.00 C ATOM 868 C PHE A 60 6.077 -8.899 -7.735 1.00 0.00 C ATOM 869 O PHE A 60 7.140 -8.578 -7.210 1.00 0.00 O ATOM 870 CB PHE A 60 3.660 -8.826 -7.059 1.00 0.00 C ATOM 871 CG PHE A 60 3.085 -8.290 -5.774 1.00 0.00 C ATOM 872 CD1 PHE A 60 3.880 -8.148 -4.647 1.00 0.00 C ATOM 873 CD2 PHE A 60 1.745 -7.934 -5.692 1.00 0.00 C ATOM 874 CE1 PHE A 60 3.352 -7.661 -3.464 1.00 0.00 C ATOM 875 CE2 PHE A 60 1.213 -7.449 -4.511 1.00 0.00 C ATOM 876 CZ PHE A 60 2.017 -7.312 -3.396 1.00 0.00 C ATOM 0 H PHE A 60 3.478 -7.383 -9.067 1.00 0.00 H new ATOM 0 HA PHE A 60 5.081 -7.212 -6.896 1.00 0.00 H new ATOM 0 HB2 PHE A 60 2.874 -8.853 -7.814 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.984 -9.854 -6.900 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.924 -8.421 -4.693 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.111 -8.037 -6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.983 -7.554 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.169 -7.177 -4.461 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.603 -6.933 -2.473 1.00 0.00 H new ATOM 886 N SER A 61 5.922 -10.022 -8.428 1.00 0.00 N ATOM 887 CA SER A 61 7.019 -10.965 -8.619 1.00 0.00 C ATOM 888 C SER A 61 8.226 -10.290 -9.271 1.00 0.00 C ATOM 889 O SER A 61 9.231 -10.029 -8.613 1.00 0.00 O ATOM 890 CB SER A 61 6.549 -12.148 -9.473 1.00 0.00 C ATOM 891 OG SER A 61 5.721 -11.715 -10.540 1.00 0.00 O ATOM 0 H SER A 61 5.045 -10.302 -8.868 1.00 0.00 H new ATOM 0 HA SER A 61 7.328 -11.328 -7.639 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.414 -12.677 -9.873 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.002 -12.855 -8.849 1.00 0.00 H new ATOM 0 HG SER A 61 5.437 -12.490 -11.069 1.00 0.00 H new ATOM 897 N ASP A 62 8.126 -10.033 -10.572 1.00 0.00 N ATOM 898 CA ASP A 62 9.218 -9.410 -11.325 1.00 0.00 C ATOM 899 C ASP A 62 9.919 -8.329 -10.496 1.00 0.00 C ATOM 900 O ASP A 62 11.102 -8.455 -10.178 1.00 0.00 O ATOM 901 CB ASP A 62 8.700 -8.808 -12.643 1.00 0.00 C ATOM 902 CG ASP A 62 7.480 -7.923 -12.470 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.641 -8.239 -11.607 1.00 0.00 O ATOM 904 OD2 ASP A 62 7.366 -6.914 -13.201 1.00 0.00 O ATOM 0 H ASP A 62 7.300 -10.246 -11.131 1.00 0.00 H new ATOM 0 HA ASP A 62 9.943 -10.190 -11.556 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.498 -8.226 -13.105 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.456 -9.617 -13.331 1.00 0.00 H new ATOM 909 N LEU A 63 9.187 -7.276 -10.154 1.00 0.00 N ATOM 910 CA LEU A 63 9.739 -6.173 -9.371 1.00 0.00 C ATOM 911 C LEU A 63 10.285 -6.677 -8.037 1.00 0.00 C ATOM 912 O LEU A 63 11.222 -6.105 -7.482 1.00 0.00 O ATOM 913 CB LEU A 63 8.660 -5.107 -9.138 1.00 0.00 C ATOM 914 CG LEU A 63 9.169 -3.687 -8.846 1.00 0.00 C ATOM 915 CD1 LEU A 63 9.082 -2.810 -10.090 1.00 0.00 C ATOM 916 CD2 LEU A 63 8.372 -3.065 -7.708 1.00 0.00 C ATOM 0 H LEU A 63 8.206 -7.161 -10.407 1.00 0.00 H new ATOM 0 HA LEU A 63 10.563 -5.728 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.019 -5.068 -10.019 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.036 -5.427 -8.304 1.00 0.00 H new ATOM 0 HG LEU A 63 10.216 -3.755 -8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.448 -1.810 -9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.690 -3.243 -10.884 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.045 -2.749 -10.420 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.743 -2.059 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.319 -3.016 -7.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.482 -3.674 -6.811 1.00 0.00 H new ATOM 928 N ALA A 64 9.693 -7.755 -7.534 1.00 0.00 N ATOM 929 CA ALA A 64 10.125 -8.340 -6.271 1.00 0.00 C ATOM 930 C ALA A 64 11.584 -8.776 -6.345 1.00 0.00 C ATOM 931 O ALA A 64 12.411 -8.333 -5.553 1.00 0.00 O ATOM 932 CB ALA A 64 9.235 -9.514 -5.888 1.00 0.00 C ATOM 0 H ALA A 64 8.915 -8.240 -7.981 1.00 0.00 H new ATOM 0 HA ALA A 64 10.037 -7.576 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.576 -9.935 -4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.206 -9.171 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.286 -10.277 -6.664 1.00 0.00 H new ATOM 938 N ALA A 65 11.895 -9.647 -7.301 1.00 0.00 N ATOM 939 CA ALA A 65 13.260 -10.139 -7.470 1.00 0.00 C ATOM 940 C ALA A 65 14.228 -9.000 -7.790 1.00 0.00 C ATOM 941 O ALA A 65 15.319 -8.914 -7.216 1.00 0.00 O ATOM 942 CB ALA A 65 13.305 -11.198 -8.563 1.00 0.00 C ATOM 0 H ALA A 65 11.223 -10.026 -7.969 1.00 0.00 H new ATOM 0 HA ALA A 65 13.575 -10.588 -6.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.327 -11.557 -8.680 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.657 -12.031 -8.290 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.963 -10.765 -9.503 1.00 0.00 H new ATOM 948 N GLN A 66 13.822 -8.124 -8.709 1.00 0.00 N ATOM 949 CA GLN A 66 14.649 -6.987 -9.105 1.00 0.00 C ATOM 950 C GLN A 66 15.079 -6.187 -7.875 1.00 0.00 C ATOM 951 O GLN A 66 16.268 -6.104 -7.564 1.00 0.00 O ATOM 952 CB GLN A 66 13.883 -6.100 -10.105 1.00 0.00 C ATOM 953 CG GLN A 66 14.277 -4.625 -10.087 1.00 0.00 C ATOM 954 CD GLN A 66 14.921 -4.174 -11.384 1.00 0.00 C ATOM 955 OE1 GLN A 66 15.663 -4.926 -12.014 1.00 0.00 O ATOM 956 NE2 GLN A 66 14.644 -2.938 -11.786 1.00 0.00 N ATOM 0 H GLN A 66 12.926 -8.181 -9.192 1.00 0.00 H new ATOM 0 HA GLN A 66 15.549 -7.356 -9.596 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.040 -6.491 -11.110 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.816 -6.179 -9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.391 -4.019 -9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 66 14.968 -4.448 -9.263 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.023 -2.349 -11.232 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.053 -2.579 -12.649 1.00 0.00 H new ATOM 965 N LEU A 67 14.112 -5.602 -7.180 1.00 0.00 N ATOM 966 CA LEU A 67 14.408 -4.816 -5.990 1.00 0.00 C ATOM 967 C LEU A 67 14.947 -5.705 -4.872 1.00 0.00 C ATOM 968 O LEU A 67 15.631 -5.225 -3.967 1.00 0.00 O ATOM 969 CB LEU A 67 13.160 -4.071 -5.513 1.00 0.00 C ATOM 970 CG LEU A 67 12.695 -2.936 -6.429 1.00 0.00 C ATOM 971 CD1 LEU A 67 11.564 -2.155 -5.778 1.00 0.00 C ATOM 972 CD2 LEU A 67 13.858 -2.014 -6.765 1.00 0.00 C ATOM 0 H LEU A 67 13.122 -5.656 -7.418 1.00 0.00 H new ATOM 0 HA LEU A 67 15.174 -4.086 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.346 -4.788 -5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 67 13.356 -3.661 -4.522 1.00 0.00 H new ATOM 0 HG LEU A 67 12.322 -3.371 -7.356 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.246 -1.352 -6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.724 -2.822 -5.587 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.911 -1.730 -4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.510 -1.213 -7.417 1.00 0.00 H new ATOM 0 HD22 LEU A 67 14.260 -1.586 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 67 14.638 -2.582 -7.272 1.00 0.00 H new ATOM 984 N HIS A 68 14.641 -7.001 -4.937 1.00 0.00 N ATOM 985 CA HIS A 68 15.102 -7.949 -3.923 1.00 0.00 C ATOM 986 C HIS A 68 16.608 -7.828 -3.722 1.00 0.00 C ATOM 987 O HIS A 68 17.061 -7.315 -2.698 1.00 0.00 O ATOM 988 CB HIS A 68 14.730 -9.385 -4.311 1.00 0.00 C ATOM 989 CG HIS A 68 13.496 -9.901 -3.627 1.00 0.00 C ATOM 990 ND1 HIS A 68 12.732 -9.137 -2.769 1.00 0.00 N ATOM 991 CD2 HIS A 68 12.893 -11.114 -3.680 1.00 0.00 C ATOM 992 CE1 HIS A 68 11.715 -9.855 -2.324 1.00 0.00 C ATOM 993 NE2 HIS A 68 11.788 -11.058 -2.863 1.00 0.00 N ATOM 0 H HIS A 68 14.078 -7.417 -5.679 1.00 0.00 H new ATOM 0 HA HIS A 68 14.605 -7.708 -2.983 1.00 0.00 H new ATOM 0 HB2 HIS A 68 14.582 -9.433 -5.390 1.00 0.00 H new ATOM 0 HB3 HIS A 68 15.566 -10.043 -4.075 1.00 0.00 H new ATOM 0 HD2 HIS A 68 13.220 -11.966 -4.257 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.954 -9.515 -1.637 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.132 -11.822 -2.700 1.00 0.00 H new ATOM 1001 N VAL A 69 17.380 -8.296 -4.708 1.00 0.00 N ATOM 1002 CA VAL A 69 18.845 -8.226 -4.634 1.00 0.00 C ATOM 1003 C VAL A 69 19.307 -6.958 -3.892 1.00 0.00 C ATOM 1004 O VAL A 69 19.885 -7.046 -2.809 1.00 0.00 O ATOM 1005 CB VAL A 69 19.477 -8.283 -6.047 1.00 0.00 C ATOM 1006 CG1 VAL A 69 20.848 -7.611 -6.083 1.00 0.00 C ATOM 1007 CG2 VAL A 69 19.580 -9.724 -6.521 1.00 0.00 C ATOM 0 H VAL A 69 17.020 -8.724 -5.561 1.00 0.00 H new ATOM 0 HA VAL A 69 19.185 -9.094 -4.069 1.00 0.00 H new ATOM 0 HB VAL A 69 18.824 -7.731 -6.723 1.00 0.00 H new ATOM 0 HG11 VAL A 69 21.257 -7.673 -7.091 1.00 0.00 H new ATOM 0 HG12 VAL A 69 20.748 -6.564 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 69 21.519 -8.116 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 69 20.026 -9.749 -7.515 1.00 0.00 H new ATOM 0 HG22 VAL A 69 20.203 -10.291 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 69 18.585 -10.167 -6.559 1.00 0.00 H new ATOM 1017 N THR A 70 19.047 -5.782 -4.473 1.00 0.00 N ATOM 1018 CA THR A 70 19.429 -4.518 -3.854 1.00 0.00 C ATOM 1019 C THR A 70 19.073 -4.502 -2.360 1.00 0.00 C ATOM 1020 O THR A 70 17.897 -4.433 -1.999 1.00 0.00 O ATOM 1021 CB THR A 70 18.726 -3.356 -4.565 1.00 0.00 C ATOM 1022 OG1 THR A 70 18.293 -3.741 -5.860 1.00 0.00 O ATOM 1023 CG2 THR A 70 19.603 -2.134 -4.717 1.00 0.00 C ATOM 0 H THR A 70 18.573 -5.684 -5.371 1.00 0.00 H new ATOM 0 HA THR A 70 20.509 -4.407 -3.950 1.00 0.00 H new ATOM 0 HB THR A 70 17.878 -3.100 -3.930 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.846 -2.984 -6.294 1.00 0.00 H new ATOM 0 HG21 THR A 70 19.047 -1.348 -5.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.909 -1.781 -3.732 1.00 0.00 H new ATOM 0 HG23 THR A 70 20.487 -2.391 -5.301 1.00 0.00 H new ATOM 1031 N PRO A 71 20.087 -4.569 -1.472 1.00 0.00 N ATOM 1032 CA PRO A 71 19.875 -4.561 -0.016 1.00 0.00 C ATOM 1033 C PRO A 71 18.999 -3.396 0.433 1.00 0.00 C ATOM 1034 O PRO A 71 19.451 -2.252 0.488 1.00 0.00 O ATOM 1035 CB PRO A 71 21.292 -4.412 0.549 1.00 0.00 C ATOM 1036 CG PRO A 71 22.178 -4.976 -0.506 1.00 0.00 C ATOM 1037 CD PRO A 71 21.516 -4.658 -1.818 1.00 0.00 C ATOM 0 HA PRO A 71 19.357 -5.457 0.326 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.531 -3.368 0.751 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.403 -4.952 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.174 -4.536 -0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.298 -6.052 -0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.886 -3.722 -2.237 1.00 0.00 H new ATOM 0 HD3 PRO A 71 21.701 -5.435 -2.559 1.00 0.00 H new ATOM 1045 N GLY A 72 17.742 -3.693 0.750 1.00 0.00 N ATOM 1046 CA GLY A 72 16.824 -2.656 1.184 1.00 0.00 C ATOM 1047 C GLY A 72 16.249 -2.925 2.557 1.00 0.00 C ATOM 1048 O GLY A 72 16.049 -4.077 2.940 1.00 0.00 O ATOM 0 H GLY A 72 17.344 -4.631 0.714 1.00 0.00 H new ATOM 0 HA2 GLY A 72 17.343 -1.697 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 72 16.010 -2.572 0.464 1.00 0.00 H new ATOM 1052 N SER A 73 15.959 -1.858 3.288 1.00 0.00 N ATOM 1053 CA SER A 73 15.386 -1.974 4.618 1.00 0.00 C ATOM 1054 C SER A 73 13.929 -2.439 4.550 1.00 0.00 C ATOM 1055 O SER A 73 13.366 -2.599 3.467 1.00 0.00 O ATOM 1056 CB SER A 73 15.484 -0.635 5.346 1.00 0.00 C ATOM 1057 OG SER A 73 15.152 -0.773 6.714 1.00 0.00 O ATOM 0 H SER A 73 16.113 -0.898 2.979 1.00 0.00 H new ATOM 0 HA SER A 73 15.952 -2.723 5.172 1.00 0.00 H new ATOM 0 HB2 SER A 73 16.496 -0.240 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.815 0.087 4.877 1.00 0.00 H new ATOM 0 HG SER A 73 15.224 0.098 7.158 1.00 0.00 H new ATOM 1063 N ALA A 74 13.334 -2.663 5.716 1.00 0.00 N ATOM 1064 CA ALA A 74 11.950 -3.125 5.805 1.00 0.00 C ATOM 1065 C ALA A 74 10.947 -2.042 5.385 1.00 0.00 C ATOM 1066 O ALA A 74 11.271 -1.159 4.593 1.00 0.00 O ATOM 1067 CB ALA A 74 11.661 -3.596 7.220 1.00 0.00 C ATOM 0 H ALA A 74 13.790 -2.532 6.619 1.00 0.00 H new ATOM 0 HA ALA A 74 11.830 -3.955 5.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.629 -3.940 7.285 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.333 -4.415 7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.813 -2.771 7.916 1.00 0.00 H new ATOM 1073 N GLN A 75 9.722 -2.132 5.921 1.00 0.00 N ATOM 1074 CA GLN A 75 8.656 -1.175 5.615 1.00 0.00 C ATOM 1075 C GLN A 75 9.201 0.253 5.537 1.00 0.00 C ATOM 1076 O GLN A 75 9.018 0.946 4.535 1.00 0.00 O ATOM 1077 CB GLN A 75 7.564 -1.254 6.684 1.00 0.00 C ATOM 1078 CG GLN A 75 6.138 -1.267 6.147 1.00 0.00 C ATOM 1079 CD GLN A 75 5.343 -2.466 6.628 1.00 0.00 C ATOM 1080 OE1 GLN A 75 4.456 -2.335 7.471 1.00 0.00 O ATOM 1081 NE2 GLN A 75 5.655 -3.639 6.091 1.00 0.00 N ATOM 0 H GLN A 75 9.446 -2.865 6.574 1.00 0.00 H new ATOM 0 HA GLN A 75 8.236 -1.434 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 75 7.721 -2.155 7.277 1.00 0.00 H new ATOM 0 HB3 GLN A 75 7.675 -0.405 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.630 -0.353 6.454 1.00 0.00 H new ATOM 0 HG3 GLN A 75 6.164 -1.267 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.398 -3.700 5.395 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.152 -4.480 6.374 1.00 0.00 H new ATOM 1090 N GLN A 76 9.876 0.681 6.605 1.00 0.00 N ATOM 1091 CA GLN A 76 10.454 2.022 6.669 1.00 0.00 C ATOM 1092 C GLN A 76 11.197 2.375 5.379 1.00 0.00 C ATOM 1093 O GLN A 76 11.303 3.545 5.012 1.00 0.00 O ATOM 1094 CB GLN A 76 11.413 2.123 7.860 1.00 0.00 C ATOM 1095 CG GLN A 76 12.173 3.442 7.930 1.00 0.00 C ATOM 1096 CD GLN A 76 11.270 4.649 7.763 1.00 0.00 C ATOM 1097 OE1 GLN A 76 10.061 4.569 7.978 1.00 0.00 O ATOM 1098 NE2 GLN A 76 11.856 5.777 7.377 1.00 0.00 N ATOM 0 H GLN A 76 10.036 0.116 7.439 1.00 0.00 H new ATOM 0 HA GLN A 76 9.636 2.731 6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.847 1.992 8.782 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.130 1.304 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.688 3.509 8.888 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.939 3.457 7.155 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.862 5.798 7.210 1.00 0.00 H new ATOM 0 HE22 GLN A 76 11.300 6.622 7.248 1.00 0.00 H new ATOM 1107 N ARG A 77 11.711 1.353 4.700 1.00 0.00 N ATOM 1108 CA ARG A 77 12.446 1.547 3.454 1.00 0.00 C ATOM 1109 C ARG A 77 11.522 1.955 2.324 1.00 0.00 C ATOM 1110 O ARG A 77 11.796 2.905 1.591 1.00 0.00 O ATOM 1111 CB ARG A 77 13.151 0.260 3.040 1.00 0.00 C ATOM 1112 CG ARG A 77 14.309 0.494 2.085 1.00 0.00 C ATOM 1113 CD ARG A 77 13.822 0.830 0.684 1.00 0.00 C ATOM 1114 NE ARG A 77 14.910 0.813 -0.295 1.00 0.00 N ATOM 1115 CZ ARG A 77 15.609 1.890 -0.653 1.00 0.00 C ATOM 1116 NH1 ARG A 77 15.353 3.074 -0.107 1.00 0.00 N ATOM 1117 NH2 ARG A 77 16.571 1.781 -1.560 1.00 0.00 N ATOM 0 H ARG A 77 11.631 0.379 4.993 1.00 0.00 H new ATOM 0 HA ARG A 77 13.173 2.338 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.520 -0.248 3.931 1.00 0.00 H new ATOM 0 HB3 ARG A 77 12.429 -0.407 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.931 1.307 2.459 1.00 0.00 H new ATOM 0 HG3 ARG A 77 14.937 -0.396 2.049 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.055 0.115 0.386 1.00 0.00 H new ATOM 0 HD3 ARG A 77 13.355 1.815 0.689 1.00 0.00 H new ATOM 0 HE ARG A 77 15.148 -0.078 -0.730 1.00 0.00 H new ATOM 0 HH11 ARG A 77 14.616 3.164 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 77 15.893 3.892 -0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.774 0.875 -1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.107 2.604 -1.836 1.00 0.00 H new ATOM 1131 N PHE A 78 10.423 1.227 2.197 1.00 0.00 N ATOM 1132 CA PHE A 78 9.439 1.481 1.162 1.00 0.00 C ATOM 1133 C PHE A 78 8.959 2.929 1.211 1.00 0.00 C ATOM 1134 O PHE A 78 8.940 3.618 0.191 1.00 0.00 O ATOM 1135 CB PHE A 78 8.278 0.508 1.341 1.00 0.00 C ATOM 1136 CG PHE A 78 7.893 -0.228 0.090 1.00 0.00 C ATOM 1137 CD1 PHE A 78 7.267 0.435 -0.948 1.00 0.00 C ATOM 1138 CD2 PHE A 78 8.153 -1.585 -0.044 1.00 0.00 C ATOM 1139 CE1 PHE A 78 6.906 -0.236 -2.100 1.00 0.00 C ATOM 1140 CE2 PHE A 78 7.794 -2.262 -1.195 1.00 0.00 C ATOM 1141 CZ PHE A 78 7.169 -1.586 -2.225 1.00 0.00 C ATOM 0 H PHE A 78 10.191 0.445 2.809 1.00 0.00 H new ATOM 0 HA PHE A 78 9.890 1.327 0.182 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.543 -0.218 2.110 1.00 0.00 H new ATOM 0 HB3 PHE A 78 7.411 1.058 1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 78 7.057 1.491 -0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 78 8.641 -2.118 0.759 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.418 0.295 -2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 78 8.002 -3.318 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 78 6.887 -2.112 -3.125 1.00 0.00 H new ATOM 1151 N THR A 79 8.583 3.392 2.398 1.00 0.00 N ATOM 1152 CA THR A 79 8.121 4.767 2.558 1.00 0.00 C ATOM 1153 C THR A 79 9.217 5.745 2.154 1.00 0.00 C ATOM 1154 O THR A 79 9.028 6.582 1.272 1.00 0.00 O ATOM 1155 CB THR A 79 7.697 5.034 4.004 1.00 0.00 C ATOM 1156 OG1 THR A 79 7.553 3.821 4.721 1.00 0.00 O ATOM 1157 CG2 THR A 79 6.391 5.793 4.106 1.00 0.00 C ATOM 0 H THR A 79 8.588 2.842 3.257 1.00 0.00 H new ATOM 0 HA THR A 79 7.257 4.910 1.909 1.00 0.00 H new ATOM 0 HB THR A 79 8.491 5.646 4.433 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.987 3.205 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 79 6.143 5.952 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.490 6.757 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.598 5.218 3.629 1.00 0.00 H new ATOM 1165 N GLN A 80 10.367 5.629 2.812 1.00 0.00 N ATOM 1166 CA GLN A 80 11.510 6.495 2.537 1.00 0.00 C ATOM 1167 C GLN A 80 11.710 6.697 1.035 1.00 0.00 C ATOM 1168 O GLN A 80 12.048 7.792 0.586 1.00 0.00 O ATOM 1169 CB GLN A 80 12.778 5.904 3.159 1.00 0.00 C ATOM 1170 CG GLN A 80 13.681 6.943 3.802 1.00 0.00 C ATOM 1171 CD GLN A 80 15.153 6.616 3.644 1.00 0.00 C ATOM 1172 OE1 GLN A 80 15.567 5.465 3.799 1.00 0.00 O ATOM 1173 NE2 GLN A 80 15.953 7.628 3.334 1.00 0.00 N ATOM 0 H GLN A 80 10.533 4.939 3.544 1.00 0.00 H new ATOM 0 HA GLN A 80 11.307 7.469 2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 80 12.495 5.166 3.910 1.00 0.00 H new ATOM 0 HB3 GLN A 80 13.338 5.375 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.480 7.918 3.358 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.442 7.020 4.863 1.00 0.00 H new ATOM 0 HE21 GLN A 80 15.568 8.565 3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 80 16.953 7.469 3.215 1.00 0.00 H new ATOM 1182 N VAL A 81 11.491 5.637 0.261 1.00 0.00 N ATOM 1183 CA VAL A 81 11.640 5.708 -1.188 1.00 0.00 C ATOM 1184 C VAL A 81 10.589 6.629 -1.801 1.00 0.00 C ATOM 1185 O VAL A 81 10.909 7.533 -2.577 1.00 0.00 O ATOM 1186 CB VAL A 81 11.525 4.315 -1.837 1.00 0.00 C ATOM 1187 CG1 VAL A 81 11.825 4.390 -3.327 1.00 0.00 C ATOM 1188 CG2 VAL A 81 12.449 3.322 -1.144 1.00 0.00 C ATOM 0 H VAL A 81 11.211 4.722 0.613 1.00 0.00 H new ATOM 0 HA VAL A 81 12.634 6.109 -1.384 1.00 0.00 H new ATOM 0 HB VAL A 81 10.500 3.964 -1.717 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.738 3.396 -3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.114 5.062 -3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.837 4.765 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.353 2.345 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.480 3.666 -1.227 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.176 3.244 -0.092 1.00 0.00 H new ATOM 1198 N SER A 82 9.331 6.392 -1.445 1.00 0.00 N ATOM 1199 CA SER A 82 8.223 7.195 -1.953 1.00 0.00 C ATOM 1200 C SER A 82 8.437 8.672 -1.641 1.00 0.00 C ATOM 1201 O SER A 82 8.440 9.514 -2.539 1.00 0.00 O ATOM 1202 CB SER A 82 6.906 6.716 -1.343 1.00 0.00 C ATOM 1203 OG SER A 82 6.843 7.028 0.038 1.00 0.00 O ATOM 0 H SER A 82 9.052 5.648 -0.805 1.00 0.00 H new ATOM 0 HA SER A 82 8.180 7.075 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.069 7.182 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.807 5.639 -1.481 1.00 0.00 H new ATOM 0 HG SER A 82 7.518 6.508 0.522 1.00 0.00 H new ATOM 1209 N ASP A 83 8.618 8.977 -0.360 1.00 0.00 N ATOM 1210 CA ASP A 83 8.836 10.352 0.078 1.00 0.00 C ATOM 1211 C ASP A 83 10.040 10.962 -0.631 1.00 0.00 C ATOM 1212 O ASP A 83 10.085 12.168 -0.884 1.00 0.00 O ATOM 1213 CB ASP A 83 9.045 10.395 1.594 1.00 0.00 C ATOM 1214 CG ASP A 83 8.675 11.738 2.193 1.00 0.00 C ATOM 1215 OD1 ASP A 83 7.479 11.947 2.488 1.00 0.00 O ATOM 1216 OD2 ASP A 83 9.581 12.579 2.369 1.00 0.00 O ATOM 0 H ASP A 83 8.618 8.290 0.394 1.00 0.00 H new ATOM 0 HA ASP A 83 7.952 10.937 -0.178 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.446 9.614 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.088 10.175 1.820 1.00 0.00 H new ATOM 1221 N GLU A 84 11.011 10.118 -0.962 1.00 0.00 N ATOM 1222 CA GLU A 84 12.213 10.573 -1.650 1.00 0.00 C ATOM 1223 C GLU A 84 11.850 11.257 -2.964 1.00 0.00 C ATOM 1224 O GLU A 84 12.289 12.375 -3.236 1.00 0.00 O ATOM 1225 CB GLU A 84 13.159 9.397 -1.904 1.00 0.00 C ATOM 1226 CG GLU A 84 14.403 9.416 -1.029 1.00 0.00 C ATOM 1227 CD GLU A 84 15.662 9.738 -1.809 1.00 0.00 C ATOM 1228 OE1 GLU A 84 15.579 10.531 -2.769 1.00 0.00 O ATOM 1229 OE2 GLU A 84 16.732 9.196 -1.457 1.00 0.00 O ATOM 0 H GLU A 84 10.989 9.117 -0.765 1.00 0.00 H new ATOM 0 HA GLU A 84 12.722 11.297 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.620 8.465 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 84 13.461 9.404 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.273 10.153 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.518 8.445 -0.547 1.00 0.00 H new ATOM 1236 N LEU A 85 11.042 10.578 -3.778 1.00 0.00 N ATOM 1237 CA LEU A 85 10.623 11.123 -5.065 1.00 0.00 C ATOM 1238 C LEU A 85 9.514 12.164 -4.887 1.00 0.00 C ATOM 1239 O LEU A 85 9.623 13.281 -5.394 1.00 0.00 O ATOM 1240 CB LEU A 85 10.167 9.996 -6.001 1.00 0.00 C ATOM 1241 CG LEU A 85 10.590 10.159 -7.467 1.00 0.00 C ATOM 1242 CD1 LEU A 85 11.732 9.210 -7.815 1.00 0.00 C ATOM 1243 CD2 LEU A 85 9.405 9.928 -8.393 1.00 0.00 C ATOM 0 H LEU A 85 10.667 9.653 -3.568 1.00 0.00 H new ATOM 0 HA LEU A 85 11.479 11.623 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.563 9.052 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.080 9.926 -5.958 1.00 0.00 H new ATOM 0 HG LEU A 85 10.945 11.180 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.013 9.346 -8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.590 9.424 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.411 8.181 -7.657 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.724 10.048 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.020 8.919 -8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.621 10.652 -8.169 1.00 0.00 H new ATOM 1255 N PHE A 86 8.446 11.805 -4.164 1.00 0.00 N ATOM 1256 CA PHE A 86 7.330 12.726 -3.931 1.00 0.00 C ATOM 1257 C PHE A 86 7.802 14.022 -3.278 1.00 0.00 C ATOM 1258 O PHE A 86 7.038 14.975 -3.179 1.00 0.00 O ATOM 1259 CB PHE A 86 6.265 12.057 -3.046 1.00 0.00 C ATOM 1260 CG PHE A 86 5.236 13.009 -2.474 1.00 0.00 C ATOM 1261 CD1 PHE A 86 5.467 13.692 -1.286 1.00 0.00 C ATOM 1262 CD2 PHE A 86 4.032 13.213 -3.127 1.00 0.00 C ATOM 1263 CE1 PHE A 86 4.513 14.558 -0.774 1.00 0.00 C ATOM 1264 CE2 PHE A 86 3.082 14.066 -2.625 1.00 0.00 C ATOM 1265 CZ PHE A 86 3.318 14.745 -1.444 1.00 0.00 C ATOM 0 H PHE A 86 8.332 10.888 -3.733 1.00 0.00 H new ATOM 0 HA PHE A 86 6.896 12.972 -4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.751 11.295 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 86 6.764 11.544 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 86 6.397 13.547 -0.757 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.837 12.689 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 86 4.703 15.087 0.148 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.150 14.207 -3.152 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.573 15.418 -1.047 1.00 0.00 H new ATOM 1275 N GLN A 87 9.054 14.047 -2.829 1.00 0.00 N ATOM 1276 CA GLN A 87 9.623 15.226 -2.187 1.00 0.00 C ATOM 1277 C GLN A 87 9.233 16.518 -2.915 1.00 0.00 C ATOM 1278 O GLN A 87 10.002 17.042 -3.722 1.00 0.00 O ATOM 1279 CB GLN A 87 11.143 15.100 -2.112 1.00 0.00 C ATOM 1280 CG GLN A 87 11.649 14.738 -0.725 1.00 0.00 C ATOM 1281 CD GLN A 87 11.924 15.960 0.129 1.00 0.00 C ATOM 1282 OE1 GLN A 87 11.038 16.458 0.824 1.00 0.00 O ATOM 1283 NE2 GLN A 87 13.157 16.447 0.083 1.00 0.00 N ATOM 0 H GLN A 87 9.697 13.258 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 87 9.214 15.283 -1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.473 14.341 -2.821 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.594 16.043 -2.421 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.913 14.108 -0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.562 14.150 -0.817 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.860 16.002 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.403 17.267 0.638 1.00 0.00 H new ATOM 1292 N GLY A 88 8.032 17.014 -2.631 1.00 0.00 N ATOM 1293 CA GLY A 88 7.555 18.231 -3.267 1.00 0.00 C ATOM 1294 C GLY A 88 6.779 17.964 -4.541 1.00 0.00 C ATOM 1295 O GLY A 88 6.790 18.775 -5.467 1.00 0.00 O ATOM 0 H GLY A 88 7.379 16.594 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.920 18.776 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.405 18.874 -3.493 1.00 0.00 H new ATOM 1299 N GLY A 89 6.100 16.825 -4.587 1.00 0.00 N ATOM 1300 CA GLY A 89 5.318 16.470 -5.754 1.00 0.00 C ATOM 1301 C GLY A 89 3.844 16.310 -5.440 1.00 0.00 C ATOM 1302 O GLY A 89 3.395 15.214 -5.102 1.00 0.00 O ATOM 0 H GLY A 89 6.077 16.138 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.442 17.238 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.700 15.539 -6.173 1.00 0.00 H new ATOM 1306 N PRO A 90 3.054 17.391 -5.550 1.00 0.00 N ATOM 1307 CA PRO A 90 1.612 17.349 -5.274 1.00 0.00 C ATOM 1308 C PRO A 90 0.826 16.613 -6.354 1.00 0.00 C ATOM 1309 O PRO A 90 -0.318 16.959 -6.645 1.00 0.00 O ATOM 1310 CB PRO A 90 1.214 18.824 -5.251 1.00 0.00 C ATOM 1311 CG PRO A 90 2.223 19.508 -6.108 1.00 0.00 C ATOM 1312 CD PRO A 90 3.505 18.738 -5.947 1.00 0.00 C ATOM 0 HA PRO A 90 1.396 16.813 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.205 18.967 -5.638 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.225 19.220 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.904 19.519 -7.150 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.352 20.546 -5.803 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.076 18.712 -6.875 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.148 19.185 -5.189 1.00 0.00 H new ATOM 1320 N ASN A 91 1.444 15.599 -6.946 1.00 0.00 N ATOM 1321 CA ASN A 91 0.792 14.817 -7.992 1.00 0.00 C ATOM 1322 C ASN A 91 0.066 13.615 -7.404 1.00 0.00 C ATOM 1323 O ASN A 91 0.341 13.196 -6.280 1.00 0.00 O ATOM 1324 CB ASN A 91 1.806 14.351 -9.042 1.00 0.00 C ATOM 1325 CG ASN A 91 1.136 13.724 -10.248 1.00 0.00 C ATOM 1326 OD1 ASN A 91 1.262 12.523 -10.485 1.00 0.00 O ATOM 1327 ND2 ASN A 91 0.416 14.533 -11.018 1.00 0.00 N ATOM 0 H ASN A 91 2.393 15.298 -6.722 1.00 0.00 H new ATOM 0 HA ASN A 91 0.060 15.464 -8.476 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.409 15.200 -9.364 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.487 13.629 -8.591 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.059 14.164 -11.842 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.338 15.523 -10.785 1.00 0.00 H new ATOM 1334 N TRP A 92 -0.854 13.061 -8.175 1.00 0.00 N ATOM 1335 CA TRP A 92 -1.620 11.897 -7.738 1.00 0.00 C ATOM 1336 C TRP A 92 -0.770 10.624 -7.816 1.00 0.00 C ATOM 1337 O TRP A 92 -1.022 9.651 -7.108 1.00 0.00 O ATOM 1338 CB TRP A 92 -2.892 11.741 -8.583 1.00 0.00 C ATOM 1339 CG TRP A 92 -3.202 12.944 -9.426 1.00 0.00 C ATOM 1340 CD1 TRP A 92 -3.727 14.133 -9.003 1.00 0.00 C ATOM 1341 CD2 TRP A 92 -2.988 13.079 -10.837 1.00 0.00 C ATOM 1342 NE1 TRP A 92 -3.859 14.994 -10.067 1.00 0.00 N ATOM 1343 CE2 TRP A 92 -3.411 14.370 -11.201 1.00 0.00 C ATOM 1344 CE3 TRP A 92 -2.481 12.233 -11.828 1.00 0.00 C ATOM 1345 CZ2 TRP A 92 -3.343 14.834 -12.515 1.00 0.00 C ATOM 1346 CZ3 TRP A 92 -2.414 12.694 -13.129 1.00 0.00 C ATOM 1347 CH2 TRP A 92 -2.842 13.984 -13.463 1.00 0.00 C ATOM 0 H TRP A 92 -1.092 13.396 -9.109 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.909 12.053 -6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -2.784 10.871 -9.231 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -3.736 11.543 -7.922 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -3.998 14.362 -7.983 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.230 15.943 -10.019 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -2.147 11.236 -11.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.674 15.829 -12.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -2.025 12.048 -13.902 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -2.776 14.315 -14.489 1.00 0.00 H new ATOM 1358 N GLY A 93 0.235 10.639 -8.687 1.00 0.00 N ATOM 1359 CA GLY A 93 1.107 9.487 -8.852 1.00 0.00 C ATOM 1360 C GLY A 93 1.567 8.903 -7.531 1.00 0.00 C ATOM 1361 O GLY A 93 1.492 7.692 -7.319 1.00 0.00 O ATOM 0 H GLY A 93 0.463 11.433 -9.285 1.00 0.00 H new ATOM 0 HA2 GLY A 93 0.583 8.719 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 93 1.979 9.778 -9.438 1.00 0.00 H new ATOM 1365 N ARG A 94 2.046 9.769 -6.643 1.00 0.00 N ATOM 1366 CA ARG A 94 2.528 9.338 -5.342 1.00 0.00 C ATOM 1367 C ARG A 94 1.384 8.848 -4.462 1.00 0.00 C ATOM 1368 O ARG A 94 1.604 8.161 -3.468 1.00 0.00 O ATOM 1369 CB ARG A 94 3.282 10.481 -4.666 1.00 0.00 C ATOM 1370 CG ARG A 94 4.305 11.138 -5.578 1.00 0.00 C ATOM 1371 CD ARG A 94 5.497 10.230 -5.816 1.00 0.00 C ATOM 1372 NE ARG A 94 6.624 10.964 -6.381 1.00 0.00 N ATOM 1373 CZ ARG A 94 6.535 11.727 -7.463 1.00 0.00 C ATOM 1374 NH1 ARG A 94 5.421 11.730 -8.186 1.00 0.00 N ATOM 1375 NH2 ARG A 94 7.574 12.457 -7.843 1.00 0.00 N ATOM 0 H ARG A 94 2.109 10.774 -6.804 1.00 0.00 H new ATOM 0 HA ARG A 94 3.210 8.500 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.567 11.232 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.786 10.101 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 94 3.839 11.386 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.642 12.075 -5.134 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.797 9.768 -4.876 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.212 9.423 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 94 7.530 10.886 -5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 94 4.632 11.145 -7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.354 12.317 -9.017 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.440 12.431 -7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.508 13.044 -8.674 1.00 0.00 H new ATOM 1389 N LEU A 95 0.158 9.189 -4.841 1.00 0.00 N ATOM 1390 CA LEU A 95 -1.015 8.763 -4.089 1.00 0.00 C ATOM 1391 C LEU A 95 -1.261 7.271 -4.297 1.00 0.00 C ATOM 1392 O LEU A 95 -1.322 6.508 -3.338 1.00 0.00 O ATOM 1393 CB LEU A 95 -2.247 9.573 -4.507 1.00 0.00 C ATOM 1394 CG LEU A 95 -2.653 10.676 -3.531 1.00 0.00 C ATOM 1395 CD1 LEU A 95 -3.457 11.754 -4.241 1.00 0.00 C ATOM 1396 CD2 LEU A 95 -3.446 10.095 -2.372 1.00 0.00 C ATOM 0 H LEU A 95 -0.049 9.758 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.832 8.942 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.055 10.023 -5.481 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.088 8.890 -4.631 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.746 11.133 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.736 12.529 -3.527 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.855 12.193 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.358 11.314 -4.669 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.727 10.894 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.345 9.611 -2.753 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.835 9.363 -1.844 1.00 0.00 H new ATOM 1408 N VAL A 96 -1.387 6.859 -5.556 1.00 0.00 N ATOM 1409 CA VAL A 96 -1.615 5.454 -5.881 1.00 0.00 C ATOM 1410 C VAL A 96 -0.438 4.586 -5.432 1.00 0.00 C ATOM 1411 O VAL A 96 -0.631 3.491 -4.903 1.00 0.00 O ATOM 1412 CB VAL A 96 -1.846 5.253 -7.395 1.00 0.00 C ATOM 1413 CG1 VAL A 96 -2.210 3.804 -7.694 1.00 0.00 C ATOM 1414 CG2 VAL A 96 -2.931 6.194 -7.904 1.00 0.00 C ATOM 0 H VAL A 96 -1.335 7.477 -6.366 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.513 5.148 -5.344 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.918 5.488 -7.916 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.369 3.682 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.399 3.151 -7.371 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.123 3.540 -7.160 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.078 6.036 -8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.863 5.994 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.629 7.226 -7.728 1.00 0.00 H new ATOM 1424 N ALA A 97 0.779 5.083 -5.650 1.00 0.00 N ATOM 1425 CA ALA A 97 1.991 4.357 -5.268 1.00 0.00 C ATOM 1426 C ALA A 97 2.115 4.233 -3.756 1.00 0.00 C ATOM 1427 O ALA A 97 1.938 3.156 -3.188 1.00 0.00 O ATOM 1428 CB ALA A 97 3.224 5.058 -5.824 1.00 0.00 C ATOM 0 H ALA A 97 0.953 5.987 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 97 1.919 3.354 -5.689 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.118 4.507 -5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.161 5.097 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.276 6.072 -5.427 1.00 0.00 H new ATOM 1434 N PHE A 98 2.432 5.351 -3.108 1.00 0.00 N ATOM 1435 CA PHE A 98 2.596 5.386 -1.662 1.00 0.00 C ATOM 1436 C PHE A 98 1.484 4.609 -0.959 1.00 0.00 C ATOM 1437 O PHE A 98 1.683 4.061 0.125 1.00 0.00 O ATOM 1438 CB PHE A 98 2.618 6.835 -1.181 1.00 0.00 C ATOM 1439 CG PHE A 98 2.633 6.970 0.309 1.00 0.00 C ATOM 1440 CD1 PHE A 98 1.476 6.771 1.044 1.00 0.00 C ATOM 1441 CD2 PHE A 98 3.801 7.294 0.974 1.00 0.00 C ATOM 1442 CE1 PHE A 98 1.486 6.892 2.418 1.00 0.00 C ATOM 1443 CE2 PHE A 98 3.819 7.416 2.348 1.00 0.00 C ATOM 1444 CZ PHE A 98 2.660 7.215 3.071 1.00 0.00 C ATOM 0 H PHE A 98 2.581 6.249 -3.568 1.00 0.00 H new ATOM 0 HA PHE A 98 3.543 4.908 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.497 7.332 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.744 7.354 -1.576 1.00 0.00 H new ATOM 0 HD1 PHE A 98 0.557 6.519 0.536 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.709 7.453 0.412 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.578 6.735 2.982 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.738 7.668 2.857 1.00 0.00 H new ATOM 0 HZ PHE A 98 2.671 7.310 4.147 1.00 0.00 H new ATOM 1454 N PHE A 99 0.314 4.565 -1.581 1.00 0.00 N ATOM 1455 CA PHE A 99 -0.817 3.852 -1.014 1.00 0.00 C ATOM 1456 C PHE A 99 -0.629 2.345 -1.146 1.00 0.00 C ATOM 1457 O PHE A 99 -0.637 1.622 -0.150 1.00 0.00 O ATOM 1458 CB PHE A 99 -2.113 4.271 -1.706 1.00 0.00 C ATOM 1459 CG PHE A 99 -3.274 4.428 -0.768 1.00 0.00 C ATOM 1460 CD1 PHE A 99 -3.108 5.031 0.468 1.00 0.00 C ATOM 1461 CD2 PHE A 99 -4.531 3.969 -1.123 1.00 0.00 C ATOM 1462 CE1 PHE A 99 -4.174 5.172 1.333 1.00 0.00 C ATOM 1463 CE2 PHE A 99 -5.602 4.107 -0.263 1.00 0.00 C ATOM 1464 CZ PHE A 99 -5.423 4.710 0.968 1.00 0.00 C ATOM 0 H PHE A 99 0.125 5.015 -2.477 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.878 4.106 0.044 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.948 5.214 -2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.367 3.529 -2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -2.133 5.395 0.758 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.675 3.498 -2.084 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.032 5.643 2.294 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.578 3.745 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 99 -6.259 4.820 1.643 1.00 0.00 H new ATOM 1474 N VAL A 100 -0.458 1.872 -2.382 1.00 0.00 N ATOM 1475 CA VAL A 100 -0.268 0.443 -2.628 1.00 0.00 C ATOM 1476 C VAL A 100 0.820 -0.116 -1.730 1.00 0.00 C ATOM 1477 O VAL A 100 0.753 -1.261 -1.288 1.00 0.00 O ATOM 1478 CB VAL A 100 0.101 0.140 -4.097 1.00 0.00 C ATOM 1479 CG1 VAL A 100 1.408 0.816 -4.478 1.00 0.00 C ATOM 1480 CG2 VAL A 100 0.182 -1.365 -4.323 1.00 0.00 C ATOM 0 H VAL A 100 -0.447 2.452 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 100 -1.223 -0.034 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 100 -0.683 0.543 -4.739 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.646 0.588 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.308 1.895 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.208 0.451 -3.834 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.443 -1.563 -5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.944 -1.790 -3.670 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.783 -1.819 -4.098 1.00 0.00 H new ATOM 1490 N PHE A 101 1.826 0.703 -1.466 1.00 0.00 N ATOM 1491 CA PHE A 101 2.928 0.293 -0.623 1.00 0.00 C ATOM 1492 C PHE A 101 2.488 0.183 0.838 1.00 0.00 C ATOM 1493 O PHE A 101 2.537 -0.895 1.428 1.00 0.00 O ATOM 1494 CB PHE A 101 4.088 1.282 -0.763 1.00 0.00 C ATOM 1495 CG PHE A 101 4.507 1.892 0.537 1.00 0.00 C ATOM 1496 CD1 PHE A 101 5.153 1.131 1.490 1.00 0.00 C ATOM 1497 CD2 PHE A 101 4.231 3.215 0.810 1.00 0.00 C ATOM 1498 CE1 PHE A 101 5.524 1.683 2.699 1.00 0.00 C ATOM 1499 CE2 PHE A 101 4.598 3.776 2.012 1.00 0.00 C ATOM 1500 CZ PHE A 101 5.248 3.008 2.960 1.00 0.00 C ATOM 0 H PHE A 101 1.898 1.655 -1.825 1.00 0.00 H new ATOM 0 HA PHE A 101 3.263 -0.693 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 101 4.941 0.770 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 101 3.798 2.076 -1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.370 0.093 1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.721 3.818 0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 101 6.029 1.079 3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.379 4.814 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.539 3.445 3.904 1.00 0.00 H new ATOM 1510 N GLY A 102 2.078 1.311 1.422 1.00 0.00 N ATOM 1511 CA GLY A 102 1.654 1.318 2.808 1.00 0.00 C ATOM 1512 C GLY A 102 0.693 0.196 3.133 1.00 0.00 C ATOM 1513 O GLY A 102 0.849 -0.485 4.142 1.00 0.00 O ATOM 0 H GLY A 102 2.034 2.217 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 102 2.530 1.238 3.452 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.180 2.273 3.033 1.00 0.00 H new ATOM 1517 N ALA A 103 -0.305 0.010 2.274 1.00 0.00 N ATOM 1518 CA ALA A 103 -1.305 -1.033 2.473 1.00 0.00 C ATOM 1519 C ALA A 103 -0.714 -2.424 2.268 1.00 0.00 C ATOM 1520 O ALA A 103 -0.819 -3.287 3.140 1.00 0.00 O ATOM 1521 CB ALA A 103 -2.488 -0.815 1.542 1.00 0.00 C ATOM 0 H ALA A 103 -0.442 0.569 1.432 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.650 -0.970 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.226 -1.601 1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.940 0.155 1.749 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.147 -0.843 0.507 1.00 0.00 H new ATOM 1527 N ALA A 104 -0.102 -2.645 1.108 1.00 0.00 N ATOM 1528 CA ALA A 104 0.494 -3.939 0.793 1.00 0.00 C ATOM 1529 C ALA A 104 1.488 -4.370 1.861 1.00 0.00 C ATOM 1530 O ALA A 104 1.378 -5.464 2.418 1.00 0.00 O ATOM 1531 CB ALA A 104 1.167 -3.891 -0.567 1.00 0.00 C ATOM 0 H ALA A 104 -0.006 -1.946 0.372 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.307 -4.678 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 104 1.608 -4.863 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.429 -3.644 -1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.949 -3.131 -0.559 1.00 0.00 H new ATOM 1537 N LEU A 105 2.457 -3.508 2.144 1.00 0.00 N ATOM 1538 CA LEU A 105 3.473 -3.804 3.146 1.00 0.00 C ATOM 1539 C LEU A 105 2.825 -4.094 4.495 1.00 0.00 C ATOM 1540 O LEU A 105 2.960 -5.193 5.033 1.00 0.00 O ATOM 1541 CB LEU A 105 4.473 -2.647 3.249 1.00 0.00 C ATOM 1542 CG LEU A 105 5.817 -2.900 2.561 1.00 0.00 C ATOM 1543 CD1 LEU A 105 5.612 -3.159 1.073 1.00 0.00 C ATOM 1544 CD2 LEU A 105 6.757 -1.725 2.785 1.00 0.00 C ATOM 0 H LEU A 105 2.561 -2.599 1.694 1.00 0.00 H new ATOM 0 HA LEU A 105 4.019 -4.696 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.021 -1.754 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.654 -2.434 4.303 1.00 0.00 H new ATOM 0 HG LEU A 105 6.273 -3.787 3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.577 -3.337 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.975 -4.034 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.137 -2.292 0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.708 -1.920 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.312 -0.819 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.925 -1.592 3.854 1.00 0.00 H new ATOM 1556 N CYS A 106 2.121 -3.104 5.040 1.00 0.00 N ATOM 1557 CA CYS A 106 1.448 -3.259 6.327 1.00 0.00 C ATOM 1558 C CYS A 106 0.821 -4.643 6.448 1.00 0.00 C ATOM 1559 O CYS A 106 1.122 -5.391 7.377 1.00 0.00 O ATOM 1560 CB CYS A 106 0.364 -2.195 6.492 1.00 0.00 C ATOM 1561 SG CYS A 106 0.807 -0.858 7.623 1.00 0.00 S ATOM 0 H CYS A 106 2.002 -2.187 4.610 1.00 0.00 H new ATOM 0 HA CYS A 106 2.195 -3.140 7.112 1.00 0.00 H new ATOM 0 HB2 CYS A 106 0.137 -1.769 5.515 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -0.547 -2.673 6.851 1.00 0.00 H new ATOM 0 HG CYS A 106 -0.173 -0.007 7.694 1.00 0.00 H new ATOM 1567 N ALA A 107 -0.042 -4.977 5.491 1.00 0.00 N ATOM 1568 CA ALA A 107 -0.710 -6.273 5.478 1.00 0.00 C ATOM 1569 C ALA A 107 0.273 -7.413 5.738 1.00 0.00 C ATOM 1570 O ALA A 107 0.166 -8.119 6.737 1.00 0.00 O ATOM 1571 CB ALA A 107 -1.421 -6.479 4.150 1.00 0.00 C ATOM 0 H ALA A 107 -0.294 -4.366 4.714 1.00 0.00 H new ATOM 0 HA ALA A 107 -1.445 -6.281 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.917 -7.450 4.150 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.162 -5.693 4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.694 -6.443 3.339 1.00 0.00 H new ATOM 1577 N GLU A 108 1.220 -7.591 4.826 1.00 0.00 N ATOM 1578 CA GLU A 108 2.219 -8.653 4.956 1.00 0.00 C ATOM 1579 C GLU A 108 2.786 -8.699 6.371 1.00 0.00 C ATOM 1580 O GLU A 108 2.783 -9.747 7.019 1.00 0.00 O ATOM 1581 CB GLU A 108 3.352 -8.460 3.948 1.00 0.00 C ATOM 1582 CG GLU A 108 4.397 -9.565 3.990 1.00 0.00 C ATOM 1583 CD GLU A 108 5.814 -9.030 4.057 1.00 0.00 C ATOM 1584 OE1 GLU A 108 6.033 -8.013 4.747 1.00 0.00 O ATOM 1585 OE2 GLU A 108 6.706 -9.630 3.419 1.00 0.00 O ATOM 0 H GLU A 108 1.320 -7.017 3.989 1.00 0.00 H new ATOM 0 HA GLU A 108 1.722 -9.601 4.749 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.930 -8.408 2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 108 3.838 -7.503 4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.212 -10.201 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.292 -10.193 3.105 1.00 0.00 H new ATOM 1592 N SER A 109 3.266 -7.557 6.848 1.00 0.00 N ATOM 1593 CA SER A 109 3.831 -7.468 8.187 1.00 0.00 C ATOM 1594 C SER A 109 2.797 -7.841 9.249 1.00 0.00 C ATOM 1595 O SER A 109 3.152 -8.191 10.374 1.00 0.00 O ATOM 1596 CB SER A 109 4.369 -6.059 8.443 1.00 0.00 C ATOM 1597 OG SER A 109 5.712 -5.938 8.000 1.00 0.00 O ATOM 0 H SER A 109 3.275 -6.680 6.327 1.00 0.00 H new ATOM 0 HA SER A 109 4.654 -8.179 8.253 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.745 -5.329 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 109 4.312 -5.832 9.508 1.00 0.00 H new ATOM 0 HG SER A 109 6.084 -5.087 8.313 1.00 0.00 H new ATOM 1603 N VAL A 110 1.515 -7.766 8.887 1.00 0.00 N ATOM 1604 CA VAL A 110 0.437 -8.101 9.817 1.00 0.00 C ATOM 1605 C VAL A 110 0.341 -9.612 10.032 1.00 0.00 C ATOM 1606 O VAL A 110 0.528 -10.102 11.145 1.00 0.00 O ATOM 1607 CB VAL A 110 -0.936 -7.583 9.328 1.00 0.00 C ATOM 1608 CG1 VAL A 110 -2.032 -7.974 10.307 1.00 0.00 C ATOM 1609 CG2 VAL A 110 -0.910 -6.074 9.127 1.00 0.00 C ATOM 0 H VAL A 110 1.200 -7.478 7.961 1.00 0.00 H new ATOM 0 HA VAL A 110 0.684 -7.609 10.758 1.00 0.00 H new ATOM 0 HB VAL A 110 -1.150 -8.047 8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.991 -7.601 9.947 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -2.073 -9.060 10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -1.818 -7.541 11.284 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -1.887 -5.736 8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -0.668 -5.585 10.071 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -0.155 -5.819 8.383 1.00 0.00 H new ATOM 1619 N ASN A 111 0.041 -10.343 8.960 1.00 0.00 N ATOM 1620 CA ASN A 111 -0.091 -11.798 9.028 1.00 0.00 C ATOM 1621 C ASN A 111 1.083 -12.434 9.769 1.00 0.00 C ATOM 1622 O ASN A 111 0.893 -13.285 10.638 1.00 0.00 O ATOM 1623 CB ASN A 111 -0.189 -12.388 7.622 1.00 0.00 C ATOM 1624 CG ASN A 111 -1.213 -11.675 6.761 1.00 0.00 C ATOM 1625 OD1 ASN A 111 -1.022 -10.522 6.374 1.00 0.00 O ATOM 1626 ND2 ASN A 111 -2.308 -12.361 6.453 1.00 0.00 N ATOM 0 H ASN A 111 -0.116 -9.951 8.032 1.00 0.00 H new ATOM 0 HA ASN A 111 -1.004 -12.019 9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 111 0.787 -12.333 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -0.451 -13.444 7.692 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -3.031 -11.934 5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.425 -13.315 6.795 1.00 0.00 H new ATOM 1633 N LYS A 112 2.296 -12.011 9.425 1.00 0.00 N ATOM 1634 CA LYS A 112 3.500 -12.540 10.060 1.00 0.00 C ATOM 1635 C LYS A 112 3.546 -12.200 11.554 1.00 0.00 C ATOM 1636 O LYS A 112 4.530 -12.491 12.234 1.00 0.00 O ATOM 1637 CB LYS A 112 4.742 -11.994 9.352 1.00 0.00 C ATOM 1638 CG LYS A 112 5.726 -13.070 8.926 1.00 0.00 C ATOM 1639 CD LYS A 112 6.810 -13.281 9.972 1.00 0.00 C ATOM 1640 CE LYS A 112 7.524 -14.611 9.780 1.00 0.00 C ATOM 1641 NZ LYS A 112 8.854 -14.627 10.451 1.00 0.00 N ATOM 0 H LYS A 112 2.472 -11.304 8.711 1.00 0.00 H new ATOM 0 HA LYS A 112 3.480 -13.626 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 112 4.430 -11.431 8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.249 -11.293 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 112 5.193 -14.006 8.759 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.184 -12.790 7.977 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.534 -12.468 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.367 -13.246 10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.906 -15.416 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.652 -14.804 8.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.309 -15.549 10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 9.452 -13.875 10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.730 -14.468 11.471 1.00 0.00 H new ATOM 1655 N GLU A 113 2.473 -11.586 12.058 1.00 0.00 N ATOM 1656 CA GLU A 113 2.378 -11.213 13.464 1.00 0.00 C ATOM 1657 C GLU A 113 3.402 -10.140 13.821 1.00 0.00 C ATOM 1658 O GLU A 113 3.818 -10.027 14.973 1.00 0.00 O ATOM 1659 CB GLU A 113 2.566 -12.440 14.361 1.00 0.00 C ATOM 1660 CG GLU A 113 1.257 -13.105 14.758 1.00 0.00 C ATOM 1661 CD GLU A 113 1.399 -14.602 14.968 1.00 0.00 C ATOM 1662 OE1 GLU A 113 2.531 -15.115 14.852 1.00 0.00 O ATOM 1663 OE2 GLU A 113 0.375 -15.259 15.250 1.00 0.00 O ATOM 0 H GLU A 113 1.653 -11.337 11.505 1.00 0.00 H new ATOM 0 HA GLU A 113 1.382 -10.803 13.632 1.00 0.00 H new ATOM 0 HB2 GLU A 113 3.192 -13.167 13.843 1.00 0.00 H new ATOM 0 HB3 GLU A 113 3.102 -12.143 15.262 1.00 0.00 H new ATOM 0 HG2 GLU A 113 0.886 -12.647 15.675 1.00 0.00 H new ATOM 0 HG3 GLU A 113 0.511 -12.920 13.985 1.00 0.00 H new ATOM 1670 N MET A 114 3.803 -9.352 12.827 1.00 0.00 N ATOM 1671 CA MET A 114 4.782 -8.289 13.040 1.00 0.00 C ATOM 1672 C MET A 114 4.101 -6.933 13.179 1.00 0.00 C ATOM 1673 O MET A 114 4.566 -5.937 12.626 1.00 0.00 O ATOM 1674 CB MET A 114 5.779 -8.246 11.878 1.00 0.00 C ATOM 1675 CG MET A 114 6.226 -9.616 11.406 1.00 0.00 C ATOM 1676 SD MET A 114 7.858 -9.591 10.643 1.00 0.00 S ATOM 1677 CE MET A 114 7.531 -8.608 9.182 1.00 0.00 C ATOM 0 H MET A 114 3.466 -9.429 11.867 1.00 0.00 H new ATOM 0 HA MET A 114 5.313 -8.506 13.967 1.00 0.00 H new ATOM 0 HB2 MET A 114 5.326 -7.714 11.042 1.00 0.00 H new ATOM 0 HB3 MET A 114 6.655 -7.673 12.183 1.00 0.00 H new ATOM 0 HG2 MET A 114 6.236 -10.302 12.253 1.00 0.00 H new ATOM 0 HG3 MET A 114 5.501 -10.004 10.690 1.00 0.00 H new ATOM 0 HE1 MET A 114 8.448 -8.502 8.602 1.00 0.00 H new ATOM 0 HE2 MET A 114 6.773 -9.101 8.574 1.00 0.00 H new ATOM 0 HE3 MET A 114 7.173 -7.622 9.479 1.00 0.00 H new ATOM 1687 N GLU A 115 3.001 -6.897 13.925 1.00 0.00 N ATOM 1688 CA GLU A 115 2.260 -5.658 14.136 1.00 0.00 C ATOM 1689 C GLU A 115 3.145 -4.598 14.787 1.00 0.00 C ATOM 1690 O GLU A 115 3.034 -3.411 14.482 1.00 0.00 O ATOM 1691 CB GLU A 115 1.025 -5.921 15.000 1.00 0.00 C ATOM 1692 CG GLU A 115 -0.101 -4.927 14.769 1.00 0.00 C ATOM 1693 CD GLU A 115 -1.460 -5.484 15.145 1.00 0.00 C ATOM 1694 OE1 GLU A 115 -1.860 -5.332 16.318 1.00 0.00 O ATOM 1695 OE2 GLU A 115 -2.125 -6.071 14.265 1.00 0.00 O ATOM 0 H GLU A 115 2.603 -7.711 14.393 1.00 0.00 H new ATOM 0 HA GLU A 115 1.938 -5.283 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 115 0.658 -6.927 14.798 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.314 -5.893 16.051 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.091 -4.025 15.351 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.111 -4.633 13.719 1.00 0.00 H new ATOM 1702 N VAL A 116 4.025 -5.039 15.682 1.00 0.00 N ATOM 1703 CA VAL A 116 4.937 -4.133 16.378 1.00 0.00 C ATOM 1704 C VAL A 116 5.528 -3.099 15.418 1.00 0.00 C ATOM 1705 O VAL A 116 5.454 -1.896 15.666 1.00 0.00 O ATOM 1706 CB VAL A 116 6.081 -4.911 17.066 1.00 0.00 C ATOM 1707 CG1 VAL A 116 7.078 -3.957 17.713 1.00 0.00 C ATOM 1708 CG2 VAL A 116 5.517 -5.878 18.096 1.00 0.00 C ATOM 0 H VAL A 116 4.127 -6.020 15.943 1.00 0.00 H new ATOM 0 HA VAL A 116 4.355 -3.615 17.140 1.00 0.00 H new ATOM 0 HB VAL A 116 6.611 -5.484 16.305 1.00 0.00 H new ATOM 0 HG11 VAL A 116 7.873 -4.530 18.190 1.00 0.00 H new ATOM 0 HG12 VAL A 116 7.507 -3.307 16.950 1.00 0.00 H new ATOM 0 HG13 VAL A 116 6.568 -3.351 18.462 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.334 -6.419 18.573 1.00 0.00 H new ATOM 0 HG22 VAL A 116 4.961 -5.322 18.851 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.851 -6.587 17.603 1.00 0.00 H new ATOM 1718 N LEU A 117 6.106 -3.578 14.322 1.00 0.00 N ATOM 1719 CA LEU A 117 6.702 -2.695 13.325 1.00 0.00 C ATOM 1720 C LEU A 117 5.621 -1.984 12.515 1.00 0.00 C ATOM 1721 O LEU A 117 5.768 -0.817 12.154 1.00 0.00 O ATOM 1722 CB LEU A 117 7.619 -3.491 12.395 1.00 0.00 C ATOM 1723 CG LEU A 117 8.885 -4.039 13.056 1.00 0.00 C ATOM 1724 CD1 LEU A 117 9.361 -5.297 12.344 1.00 0.00 C ATOM 1725 CD2 LEU A 117 9.978 -2.981 13.065 1.00 0.00 C ATOM 0 H LEU A 117 6.175 -4.571 14.101 1.00 0.00 H new ATOM 0 HA LEU A 117 7.293 -1.941 13.845 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.054 -4.325 11.977 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.909 -2.853 11.560 1.00 0.00 H new ATOM 0 HG LEU A 117 8.650 -4.301 14.088 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.262 -5.671 12.830 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.582 -6.058 12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.580 -5.064 11.302 1.00 0.00 H new ATOM 0 HD21 LEU A 117 10.872 -3.386 13.539 1.00 0.00 H new ATOM 0 HD22 LEU A 117 10.210 -2.689 12.041 1.00 0.00 H new ATOM 0 HD23 LEU A 117 9.636 -2.109 13.622 1.00 0.00 H new ATOM 1737 N VAL A 118 4.530 -2.694 12.236 1.00 0.00 N ATOM 1738 CA VAL A 118 3.423 -2.125 11.474 1.00 0.00 C ATOM 1739 C VAL A 118 3.006 -0.770 12.048 1.00 0.00 C ATOM 1740 O VAL A 118 3.032 0.245 11.353 1.00 0.00 O ATOM 1741 CB VAL A 118 2.201 -3.072 11.458 1.00 0.00 C ATOM 1742 CG1 VAL A 118 1.023 -2.434 10.729 1.00 0.00 C ATOM 1743 CG2 VAL A 118 2.568 -4.410 10.826 1.00 0.00 C ATOM 0 H VAL A 118 4.390 -3.662 12.526 1.00 0.00 H new ATOM 0 HA VAL A 118 3.774 -1.991 10.451 1.00 0.00 H new ATOM 0 HB VAL A 118 1.898 -3.251 12.490 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.177 -3.122 10.733 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.741 -1.509 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.308 -2.215 9.700 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.695 -5.063 10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.903 -4.249 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 118 3.368 -4.876 11.400 1.00 0.00 H new ATOM 1753 N GLY A 119 2.624 -0.765 13.323 1.00 0.00 N ATOM 1754 CA GLY A 119 2.210 0.467 13.971 1.00 0.00 C ATOM 1755 C GLY A 119 3.239 1.579 13.845 1.00 0.00 C ATOM 1756 O GLY A 119 2.900 2.762 13.916 1.00 0.00 O ATOM 0 H GLY A 119 2.594 -1.593 13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.268 0.801 13.537 1.00 0.00 H new ATOM 0 HA3 GLY A 119 2.023 0.271 15.027 1.00 0.00 H new ATOM 1760 N GLN A 120 4.499 1.197 13.667 1.00 0.00 N ATOM 1761 CA GLN A 120 5.583 2.166 13.544 1.00 0.00 C ATOM 1762 C GLN A 120 5.575 2.848 12.183 1.00 0.00 C ATOM 1763 O GLN A 120 5.700 4.068 12.086 1.00 0.00 O ATOM 1764 CB GLN A 120 6.931 1.480 13.762 1.00 0.00 C ATOM 1765 CG GLN A 120 7.110 0.936 15.168 1.00 0.00 C ATOM 1766 CD GLN A 120 7.577 1.996 16.144 1.00 0.00 C ATOM 1767 OE1 GLN A 120 7.399 3.191 15.912 1.00 0.00 O ATOM 1768 NE2 GLN A 120 8.180 1.561 17.244 1.00 0.00 N ATOM 0 H GLN A 120 4.795 0.223 13.605 1.00 0.00 H new ATOM 0 HA GLN A 120 5.430 2.928 14.308 1.00 0.00 H new ATOM 0 HB2 GLN A 120 7.034 0.663 13.048 1.00 0.00 H new ATOM 0 HB3 GLN A 120 7.730 2.190 13.551 1.00 0.00 H new ATOM 0 HG2 GLN A 120 6.165 0.518 15.515 1.00 0.00 H new ATOM 0 HG3 GLN A 120 7.832 0.120 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 120 8.306 0.560 17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 120 8.517 2.228 17.938 1.00 0.00 H new ATOM 1777 N VAL A 121 5.442 2.051 11.135 1.00 0.00 N ATOM 1778 CA VAL A 121 5.434 2.572 9.775 1.00 0.00 C ATOM 1779 C VAL A 121 4.236 3.479 9.536 1.00 0.00 C ATOM 1780 O VAL A 121 4.370 4.566 8.972 1.00 0.00 O ATOM 1781 CB VAL A 121 5.418 1.440 8.735 1.00 0.00 C ATOM 1782 CG1 VAL A 121 5.897 1.956 7.387 1.00 0.00 C ATOM 1783 CG2 VAL A 121 6.269 0.267 9.201 1.00 0.00 C ATOM 0 H VAL A 121 5.338 1.038 11.199 1.00 0.00 H new ATOM 0 HA VAL A 121 6.352 3.149 9.659 1.00 0.00 H new ATOM 0 HB VAL A 121 4.393 1.086 8.623 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.881 1.144 6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.240 2.758 7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.914 2.336 7.483 1.00 0.00 H new ATOM 0 HG21 VAL A 121 6.243 -0.522 8.450 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.298 0.598 9.344 1.00 0.00 H new ATOM 0 HG23 VAL A 121 5.876 -0.116 10.143 1.00 0.00 H new ATOM 1793 N GLN A 122 3.065 3.029 9.969 1.00 0.00 N ATOM 1794 CA GLN A 122 1.846 3.809 9.799 1.00 0.00 C ATOM 1795 C GLN A 122 1.982 5.168 10.478 1.00 0.00 C ATOM 1796 O GLN A 122 1.874 6.208 9.829 1.00 0.00 O ATOM 1797 CB GLN A 122 0.636 3.051 10.350 1.00 0.00 C ATOM 1798 CG GLN A 122 0.917 2.278 11.627 1.00 0.00 C ATOM 1799 CD GLN A 122 -0.133 2.520 12.693 1.00 0.00 C ATOM 1800 OE1 GLN A 122 -1.204 1.917 12.671 1.00 0.00 O ATOM 1801 NE2 GLN A 122 0.170 3.407 13.633 1.00 0.00 N ATOM 0 H GLN A 122 2.934 2.133 10.438 1.00 0.00 H new ATOM 0 HA GLN A 122 1.690 3.970 8.732 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -0.169 3.761 10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 122 0.278 2.357 9.589 1.00 0.00 H new ATOM 0 HG2 GLN A 122 0.962 1.213 11.401 1.00 0.00 H new ATOM 0 HG3 GLN A 122 1.895 2.564 12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 122 1.071 3.884 13.612 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -0.498 3.611 14.376 1.00 0.00 H new ATOM 1810 N GLU A 123 2.227 5.156 11.786 1.00 0.00 N ATOM 1811 CA GLU A 123 2.377 6.392 12.547 1.00 0.00 C ATOM 1812 C GLU A 123 3.317 7.369 11.839 1.00 0.00 C ATOM 1813 O GLU A 123 3.044 8.568 11.773 1.00 0.00 O ATOM 1814 CB GLU A 123 2.907 6.090 13.951 1.00 0.00 C ATOM 1815 CG GLU A 123 1.822 6.051 15.014 1.00 0.00 C ATOM 1816 CD GLU A 123 1.214 7.415 15.279 1.00 0.00 C ATOM 1817 OE1 GLU A 123 0.617 7.991 14.346 1.00 0.00 O ATOM 1818 OE2 GLU A 123 1.336 7.906 16.420 1.00 0.00 O ATOM 0 H GLU A 123 2.326 4.305 12.340 1.00 0.00 H new ATOM 0 HA GLU A 123 1.394 6.857 12.624 1.00 0.00 H new ATOM 0 HB2 GLU A 123 3.425 5.131 13.937 1.00 0.00 H new ATOM 0 HB3 GLU A 123 3.644 6.846 14.223 1.00 0.00 H new ATOM 0 HG2 GLU A 123 1.037 5.362 14.701 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.241 5.658 15.941 1.00 0.00 H new ATOM 1825 N TRP A 124 4.421 6.847 11.312 1.00 0.00 N ATOM 1826 CA TRP A 124 5.402 7.672 10.610 1.00 0.00 C ATOM 1827 C TRP A 124 4.812 8.265 9.334 1.00 0.00 C ATOM 1828 O TRP A 124 5.053 9.428 9.003 1.00 0.00 O ATOM 1829 CB TRP A 124 6.641 6.845 10.265 1.00 0.00 C ATOM 1830 CG TRP A 124 7.492 6.519 11.454 1.00 0.00 C ATOM 1831 CD1 TRP A 124 7.105 6.505 12.763 1.00 0.00 C ATOM 1832 CD2 TRP A 124 8.877 6.159 11.441 1.00 0.00 C ATOM 1833 NE1 TRP A 124 8.165 6.159 13.564 1.00 0.00 N ATOM 1834 CE2 TRP A 124 9.265 5.941 12.775 1.00 0.00 C ATOM 1835 CE3 TRP A 124 9.827 6.001 10.428 1.00 0.00 C ATOM 1836 CZ2 TRP A 124 10.562 5.571 13.123 1.00 0.00 C ATOM 1837 CZ3 TRP A 124 11.113 5.634 10.774 1.00 0.00 C ATOM 1838 CH2 TRP A 124 11.471 5.422 12.110 1.00 0.00 C ATOM 0 H TRP A 124 4.660 5.856 11.357 1.00 0.00 H new ATOM 0 HA TRP A 124 5.684 8.489 11.273 1.00 0.00 H new ATOM 0 HB2 TRP A 124 6.327 5.917 9.787 1.00 0.00 H new ATOM 0 HB3 TRP A 124 7.241 7.391 9.537 1.00 0.00 H new ATOM 0 HD1 TRP A 124 6.110 6.733 13.117 1.00 0.00 H new ATOM 0 HE1 TRP A 124 8.139 6.077 14.580 1.00 0.00 H new ATOM 0 HE3 TRP A 124 9.561 6.163 9.394 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 10.840 5.408 14.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 11.855 5.508 10.000 1.00 0.00 H new ATOM 0 HH2 TRP A 124 12.485 5.135 12.347 1.00 0.00 H new ATOM 1849 N MET A 125 4.043 7.455 8.617 1.00 0.00 N ATOM 1850 CA MET A 125 3.419 7.891 7.374 1.00 0.00 C ATOM 1851 C MET A 125 2.525 9.102 7.610 1.00 0.00 C ATOM 1852 O MET A 125 2.775 10.184 7.079 1.00 0.00 O ATOM 1853 CB MET A 125 2.602 6.750 6.767 1.00 0.00 C ATOM 1854 CG MET A 125 3.456 5.595 6.274 1.00 0.00 C ATOM 1855 SD MET A 125 2.583 4.021 6.310 1.00 0.00 S ATOM 1856 CE MET A 125 1.753 4.070 4.728 1.00 0.00 C ATOM 0 H MET A 125 3.836 6.490 8.876 1.00 0.00 H new ATOM 0 HA MET A 125 4.208 8.176 6.678 1.00 0.00 H new ATOM 0 HB2 MET A 125 1.898 6.380 7.513 1.00 0.00 H new ATOM 0 HB3 MET A 125 2.012 7.137 5.936 1.00 0.00 H new ATOM 0 HG2 MET A 125 3.785 5.800 5.255 1.00 0.00 H new ATOM 0 HG3 MET A 125 4.353 5.523 6.890 1.00 0.00 H new ATOM 0 HE1 MET A 125 0.937 3.348 4.723 1.00 0.00 H new ATOM 0 HE2 MET A 125 1.354 5.070 4.557 1.00 0.00 H new ATOM 0 HE3 MET A 125 2.462 3.823 3.938 1.00 0.00 H new ATOM 1866 N VAL A 126 1.484 8.911 8.412 1.00 0.00 N ATOM 1867 CA VAL A 126 0.554 9.988 8.722 1.00 0.00 C ATOM 1868 C VAL A 126 1.273 11.175 9.358 1.00 0.00 C ATOM 1869 O VAL A 126 0.797 12.309 9.289 1.00 0.00 O ATOM 1870 CB VAL A 126 -0.559 9.521 9.673 1.00 0.00 C ATOM 1871 CG1 VAL A 126 -1.669 10.558 9.740 1.00 0.00 C ATOM 1872 CG2 VAL A 126 -1.105 8.166 9.242 1.00 0.00 C ATOM 0 H VAL A 126 1.264 8.021 8.859 1.00 0.00 H new ATOM 0 HA VAL A 126 0.110 10.294 7.775 1.00 0.00 H new ATOM 0 HB VAL A 126 -0.135 9.409 10.671 1.00 0.00 H new ATOM 0 HG11 VAL A 126 -2.450 10.212 10.418 1.00 0.00 H new ATOM 0 HG12 VAL A 126 -1.264 11.502 10.105 1.00 0.00 H new ATOM 0 HG13 VAL A 126 -2.091 10.704 8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -1.892 7.855 9.930 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.513 8.242 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.301 7.430 9.253 1.00 0.00 H new ATOM 1882 N ALA A 127 2.427 10.911 9.964 1.00 0.00 N ATOM 1883 CA ALA A 127 3.204 11.968 10.601 1.00 0.00 C ATOM 1884 C ALA A 127 3.606 13.028 9.580 1.00 0.00 C ATOM 1885 O ALA A 127 3.214 14.192 9.690 1.00 0.00 O ATOM 1886 CB ALA A 127 4.438 11.397 11.285 1.00 0.00 C ATOM 0 H ALA A 127 2.842 9.981 10.027 1.00 0.00 H new ATOM 0 HA ALA A 127 2.578 12.437 11.360 1.00 0.00 H new ATOM 0 HB1 ALA A 127 5.001 12.205 11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 127 4.133 10.679 12.046 1.00 0.00 H new ATOM 0 HB3 ALA A 127 5.065 10.898 10.546 1.00 0.00 H new ATOM 1892 N TYR A 128 4.373 12.614 8.572 1.00 0.00 N ATOM 1893 CA TYR A 128 4.808 13.530 7.522 1.00 0.00 C ATOM 1894 C TYR A 128 3.604 14.107 6.781 1.00 0.00 C ATOM 1895 O TYR A 128 3.659 15.226 6.270 1.00 0.00 O ATOM 1896 CB TYR A 128 5.740 12.822 6.530 1.00 0.00 C ATOM 1897 CG TYR A 128 6.389 13.759 5.530 1.00 0.00 C ATOM 1898 CD1 TYR A 128 5.635 14.398 4.552 1.00 0.00 C ATOM 1899 CD2 TYR A 128 7.757 14.009 5.564 1.00 0.00 C ATOM 1900 CE1 TYR A 128 6.224 15.256 3.643 1.00 0.00 C ATOM 1901 CE2 TYR A 128 8.351 14.868 4.657 1.00 0.00 C ATOM 1902 CZ TYR A 128 7.581 15.488 3.699 1.00 0.00 C ATOM 1903 OH TYR A 128 8.171 16.347 2.796 1.00 0.00 O ATOM 0 H TYR A 128 4.704 11.655 8.462 1.00 0.00 H new ATOM 0 HA TYR A 128 5.357 14.345 7.995 1.00 0.00 H new ATOM 0 HB2 TYR A 128 6.520 12.301 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 128 5.173 12.064 5.990 1.00 0.00 H new ATOM 0 HD1 TYR A 128 4.571 14.221 4.502 1.00 0.00 H new ATOM 0 HD2 TYR A 128 8.366 13.524 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.622 15.744 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 128 9.414 15.052 4.700 1.00 0.00 H new ATOM 0 HH TYR A 128 9.113 16.474 3.033 1.00 0.00 H new ATOM 1913 N LEU A 129 2.517 13.334 6.726 1.00 0.00 N ATOM 1914 CA LEU A 129 1.299 13.770 6.043 1.00 0.00 C ATOM 1915 C LEU A 129 0.852 15.141 6.547 1.00 0.00 C ATOM 1916 O LEU A 129 0.706 16.080 5.766 1.00 0.00 O ATOM 1917 CB LEU A 129 0.174 12.745 6.222 1.00 0.00 C ATOM 1918 CG LEU A 129 -0.265 12.044 4.927 1.00 0.00 C ATOM 1919 CD1 LEU A 129 -0.389 10.540 5.132 1.00 0.00 C ATOM 1920 CD2 LEU A 129 -1.579 12.624 4.426 1.00 0.00 C ATOM 0 H LEU A 129 2.456 12.406 7.145 1.00 0.00 H new ATOM 0 HA LEU A 129 1.525 13.851 4.980 1.00 0.00 H new ATOM 0 HB2 LEU A 129 0.500 11.989 6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.690 13.246 6.659 1.00 0.00 H new ATOM 0 HG LEU A 129 0.502 12.219 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -0.701 10.070 4.199 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.575 10.134 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -1.130 10.338 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -1.875 12.116 3.508 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -2.351 12.484 5.183 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.455 13.688 4.227 1.00 0.00 H new ATOM 1932 N GLU A 130 0.631 15.246 7.853 1.00 0.00 N ATOM 1933 CA GLU A 130 0.196 16.502 8.462 1.00 0.00 C ATOM 1934 C GLU A 130 1.376 17.454 8.659 1.00 0.00 C ATOM 1935 O GLU A 130 1.189 18.632 8.973 1.00 0.00 O ATOM 1936 CB GLU A 130 -0.488 16.231 9.804 1.00 0.00 C ATOM 1937 CG GLU A 130 -0.971 17.492 10.503 1.00 0.00 C ATOM 1938 CD GLU A 130 -1.787 17.203 11.749 1.00 0.00 C ATOM 1939 OE1 GLU A 130 -1.379 16.326 12.537 1.00 0.00 O ATOM 1940 OE2 GLU A 130 -2.834 17.859 11.938 1.00 0.00 O ATOM 0 H GLU A 130 0.746 14.476 8.513 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.517 16.976 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -1.337 15.566 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.208 15.706 10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.110 18.104 10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.573 18.078 9.809 1.00 0.00 H new ATOM 1947 N THR A 131 2.592 16.932 8.495 1.00 0.00 N ATOM 1948 CA THR A 131 3.798 17.734 8.662 1.00 0.00 C ATOM 1949 C THR A 131 4.059 18.601 7.429 1.00 0.00 C ATOM 1950 O THR A 131 3.875 19.818 7.459 1.00 0.00 O ATOM 1951 CB THR A 131 5.005 16.828 8.924 1.00 0.00 C ATOM 1952 OG1 THR A 131 4.808 16.046 10.090 1.00 0.00 O ATOM 1953 CG2 THR A 131 6.301 17.592 9.097 1.00 0.00 C ATOM 0 H THR A 131 2.765 15.958 8.247 1.00 0.00 H new ATOM 0 HA THR A 131 3.648 18.391 9.519 1.00 0.00 H new ATOM 0 HB THR A 131 5.087 16.198 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 131 3.961 15.558 10.017 1.00 0.00 H new ATOM 0 HG21 THR A 131 7.115 16.891 9.279 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.510 18.163 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.212 18.273 9.944 1.00 0.00 H new ATOM 1961 N ARG A 132 4.496 17.966 6.347 1.00 0.00 N ATOM 1962 CA ARG A 132 4.788 18.679 5.103 1.00 0.00 C ATOM 1963 C ARG A 132 3.793 18.324 4.000 1.00 0.00 C ATOM 1964 O ARG A 132 3.684 19.032 2.995 1.00 0.00 O ATOM 1965 CB ARG A 132 6.207 18.368 4.638 1.00 0.00 C ATOM 1966 CG ARG A 132 6.843 19.482 3.822 1.00 0.00 C ATOM 1967 CD ARG A 132 8.357 19.346 3.775 1.00 0.00 C ATOM 1968 NE ARG A 132 8.994 20.512 3.167 1.00 0.00 N ATOM 1969 CZ ARG A 132 9.570 20.506 1.964 1.00 0.00 C ATOM 1970 NH1 ARG A 132 9.576 19.404 1.223 1.00 0.00 N ATOM 1971 NH2 ARG A 132 10.143 21.609 1.500 1.00 0.00 N ATOM 0 H ARG A 132 4.657 16.960 6.303 1.00 0.00 H new ATOM 0 HA ARG A 132 4.696 19.746 5.307 1.00 0.00 H new ATOM 0 HB2 ARG A 132 6.830 18.168 5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 132 6.192 17.456 4.041 1.00 0.00 H new ATOM 0 HG2 ARG A 132 6.444 19.465 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 132 6.577 20.447 4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 132 8.740 19.210 4.786 1.00 0.00 H new ATOM 0 HD3 ARG A 132 8.623 18.452 3.211 1.00 0.00 H new ATOM 0 HE ARG A 132 8.998 21.385 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 132 9.137 18.552 1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 132 10.019 19.410 0.304 1.00 0.00 H new ATOM 0 HH21 ARG A 132 10.143 22.460 2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 132 10.584 21.606 0.580 1.00 0.00 H new ATOM 1985 N LEU A 133 3.050 17.238 4.200 1.00 0.00 N ATOM 1986 CA LEU A 133 2.054 16.804 3.227 1.00 0.00 C ATOM 1987 C LEU A 133 0.716 17.490 3.490 1.00 0.00 C ATOM 1988 O LEU A 133 -0.257 17.259 2.781 1.00 0.00 O ATOM 1989 CB LEU A 133 1.878 15.285 3.297 1.00 0.00 C ATOM 1990 CG LEU A 133 2.247 14.512 2.030 1.00 0.00 C ATOM 1991 CD1 LEU A 133 3.671 13.983 2.117 1.00 0.00 C ATOM 1992 CD2 LEU A 133 1.268 13.369 1.805 1.00 0.00 C ATOM 0 H LEU A 133 3.120 16.644 5.026 1.00 0.00 H new ATOM 0 HA LEU A 133 2.401 17.080 2.231 1.00 0.00 H new ATOM 0 HB2 LEU A 133 2.483 14.906 4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.838 15.070 3.541 1.00 0.00 H new ATOM 0 HG LEU A 133 2.188 15.194 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.912 13.436 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.363 14.817 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 133 3.759 13.316 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 133 1.543 12.827 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.299 12.690 2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 133 0.260 13.769 1.696 1.00 0.00 H new ATOM 2004 N ALA A 134 0.674 18.325 4.523 1.00 0.00 N ATOM 2005 CA ALA A 134 -0.540 19.036 4.890 1.00 0.00 C ATOM 2006 C ALA A 134 -0.830 20.166 3.914 1.00 0.00 C ATOM 2007 O ALA A 134 -1.962 20.635 3.818 1.00 0.00 O ATOM 2008 CB ALA A 134 -0.427 19.581 6.305 1.00 0.00 C ATOM 0 H ALA A 134 1.474 18.525 5.123 1.00 0.00 H new ATOM 0 HA ALA A 134 -1.369 18.330 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -1.343 20.111 6.565 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -0.274 18.756 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.418 20.267 6.364 1.00 0.00 H new ATOM 2014 N ASP A 135 0.194 20.596 3.179 1.00 0.00 N ATOM 2015 CA ASP A 135 0.030 21.664 2.203 1.00 0.00 C ATOM 2016 C ASP A 135 -0.609 21.128 0.929 1.00 0.00 C ATOM 2017 O ASP A 135 -1.731 21.498 0.580 1.00 0.00 O ATOM 2018 CB ASP A 135 1.388 22.295 1.875 1.00 0.00 C ATOM 2019 CG ASP A 135 1.591 23.624 2.575 1.00 0.00 C ATOM 2020 OD1 ASP A 135 1.097 23.776 3.711 1.00 0.00 O ATOM 2021 OD2 ASP A 135 2.246 24.510 1.988 1.00 0.00 O ATOM 0 H ASP A 135 1.141 20.221 3.242 1.00 0.00 H new ATOM 0 HA ASP A 135 -0.623 22.424 2.632 1.00 0.00 H new ATOM 0 HB2 ASP A 135 2.184 21.609 2.165 1.00 0.00 H new ATOM 0 HB3 ASP A 135 1.468 22.439 0.798 1.00 0.00 H new ATOM 2026 N TRP A 136 0.113 20.252 0.236 1.00 0.00 N ATOM 2027 CA TRP A 136 -0.378 19.662 -1.006 1.00 0.00 C ATOM 2028 C TRP A 136 -1.778 19.076 -0.820 1.00 0.00 C ATOM 2029 O TRP A 136 -2.567 19.014 -1.763 1.00 0.00 O ATOM 2030 CB TRP A 136 0.582 18.574 -1.491 1.00 0.00 C ATOM 2031 CG TRP A 136 1.949 19.088 -1.832 1.00 0.00 C ATOM 2032 CD1 TRP A 136 3.138 18.459 -1.596 1.00 0.00 C ATOM 2033 CD2 TRP A 136 2.273 20.331 -2.469 1.00 0.00 C ATOM 2034 NE1 TRP A 136 4.179 19.235 -2.046 1.00 0.00 N ATOM 2035 CE2 TRP A 136 3.675 20.387 -2.588 1.00 0.00 C ATOM 2036 CE3 TRP A 136 1.516 21.403 -2.954 1.00 0.00 C ATOM 2037 CZ2 TRP A 136 4.332 21.468 -3.168 1.00 0.00 C ATOM 2038 CZ3 TRP A 136 2.170 22.475 -3.529 1.00 0.00 C ATOM 2039 CH2 TRP A 136 3.565 22.500 -3.633 1.00 0.00 C ATOM 0 H TRP A 136 1.042 19.934 0.514 1.00 0.00 H new ATOM 0 HA TRP A 136 -0.433 20.452 -1.755 1.00 0.00 H new ATOM 0 HB2 TRP A 136 0.672 17.810 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 136 0.155 18.090 -2.370 1.00 0.00 H new ATOM 0 HD1 TRP A 136 3.245 17.493 -1.125 1.00 0.00 H new ATOM 0 HE1 TRP A 136 5.168 18.992 -1.986 1.00 0.00 H new ATOM 0 HE3 TRP A 136 0.439 21.392 -2.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 136 5.409 21.491 -3.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 136 1.595 23.308 -3.905 1.00 0.00 H new ATOM 0 HH2 TRP A 136 4.046 23.352 -4.090 1.00 0.00 H new ATOM 2050 N ILE A 137 -2.076 18.654 0.404 1.00 0.00 N ATOM 2051 CA ILE A 137 -3.378 18.078 0.721 1.00 0.00 C ATOM 2052 C ILE A 137 -4.424 19.177 0.909 1.00 0.00 C ATOM 2053 O ILE A 137 -5.502 19.126 0.319 1.00 0.00 O ATOM 2054 CB ILE A 137 -3.312 17.195 1.990 1.00 0.00 C ATOM 2055 CG1 ILE A 137 -2.378 16.002 1.757 1.00 0.00 C ATOM 2056 CG2 ILE A 137 -4.700 16.714 2.392 1.00 0.00 C ATOM 2057 CD1 ILE A 137 -2.936 14.965 0.806 1.00 0.00 C ATOM 0 H ILE A 137 -1.433 18.700 1.194 1.00 0.00 H new ATOM 0 HA ILE A 137 -3.669 17.449 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 137 -2.915 17.798 2.806 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -1.429 16.367 1.365 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -2.166 15.526 2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -4.626 16.096 3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -5.338 17.574 2.597 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -5.131 16.128 1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -2.218 14.153 0.692 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -3.870 14.570 1.205 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -3.122 15.424 -0.165 1.00 0.00 H new ATOM 2069 N HIS A 138 -4.098 20.170 1.733 1.00 0.00 N ATOM 2070 CA HIS A 138 -5.008 21.283 1.994 1.00 0.00 C ATOM 2071 C HIS A 138 -5.505 21.903 0.690 1.00 0.00 C ATOM 2072 O HIS A 138 -6.640 22.371 0.607 1.00 0.00 O ATOM 2073 CB HIS A 138 -4.311 22.352 2.840 1.00 0.00 C ATOM 2074 CG HIS A 138 -5.246 23.138 3.704 1.00 0.00 C ATOM 2075 ND1 HIS A 138 -5.918 22.591 4.776 1.00 0.00 N ATOM 2076 CD2 HIS A 138 -5.624 24.438 3.652 1.00 0.00 C ATOM 2077 CE1 HIS A 138 -6.670 23.516 5.344 1.00 0.00 C ATOM 2078 NE2 HIS A 138 -6.508 24.646 4.681 1.00 0.00 N ATOM 0 H HIS A 138 -3.210 20.227 2.232 1.00 0.00 H new ATOM 0 HA HIS A 138 -5.866 20.893 2.541 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -3.563 21.873 3.471 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -3.779 23.036 2.179 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -5.292 25.174 2.934 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -7.308 23.373 6.203 1.00 0.00 H new ATOM 0 HE2 HIS A 138 -6.966 25.531 4.898 1.00 0.00 H new ATOM 2086 N SER A 139 -4.648 21.902 -0.326 1.00 0.00 N ATOM 2087 CA SER A 139 -5.002 22.466 -1.624 1.00 0.00 C ATOM 2088 C SER A 139 -6.136 21.678 -2.271 1.00 0.00 C ATOM 2089 O SER A 139 -7.207 22.221 -2.538 1.00 0.00 O ATOM 2090 CB SER A 139 -3.785 22.483 -2.550 1.00 0.00 C ATOM 2091 OG SER A 139 -2.868 21.458 -2.208 1.00 0.00 O ATOM 0 H SER A 139 -3.705 21.517 -0.276 1.00 0.00 H new ATOM 0 HA SER A 139 -5.340 23.490 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 139 -4.109 22.356 -3.583 1.00 0.00 H new ATOM 0 HB3 SER A 139 -3.291 23.453 -2.488 1.00 0.00 H new ATOM 0 HG SER A 139 -3.317 20.588 -2.257 1.00 0.00 H new ATOM 2097 N SER A 140 -5.893 20.398 -2.519 1.00 0.00 N ATOM 2098 CA SER A 140 -6.896 19.535 -3.134 1.00 0.00 C ATOM 2099 C SER A 140 -7.975 19.140 -2.129 1.00 0.00 C ATOM 2100 O SER A 140 -9.017 18.602 -2.503 1.00 0.00 O ATOM 2101 CB SER A 140 -6.232 18.283 -3.717 1.00 0.00 C ATOM 2102 OG SER A 140 -4.822 18.339 -3.577 1.00 0.00 O ATOM 0 H SER A 140 -5.011 19.933 -2.304 1.00 0.00 H new ATOM 0 HA SER A 140 -7.373 20.093 -3.940 1.00 0.00 H new ATOM 0 HB2 SER A 140 -6.615 17.396 -3.212 1.00 0.00 H new ATOM 0 HB3 SER A 140 -6.492 18.187 -4.771 1.00 0.00 H new ATOM 0 HG SER A 140 -4.571 18.055 -2.673 1.00 0.00 H new ATOM 2108 N GLY A 141 -7.721 19.402 -0.851 1.00 0.00 N ATOM 2109 CA GLY A 141 -8.682 19.059 0.178 1.00 0.00 C ATOM 2110 C GLY A 141 -8.521 17.629 0.658 1.00 0.00 C ATOM 2111 O GLY A 141 -8.771 17.329 1.823 1.00 0.00 O ATOM 0 H GLY A 141 -6.868 19.845 -0.511 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.566 19.739 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.691 19.199 -0.209 1.00 0.00 H new ATOM 2115 N GLY A 142 -8.104 16.745 -0.244 1.00 0.00 N ATOM 2116 CA GLY A 142 -7.918 15.363 0.100 1.00 0.00 C ATOM 2117 C GLY A 142 -8.033 14.472 -1.110 1.00 0.00 C ATOM 2118 O GLY A 142 -7.557 14.805 -2.192 1.00 0.00 O ATOM 0 H GLY A 142 -7.892 16.974 -1.215 1.00 0.00 H new ATOM 0 HA2 GLY A 142 -6.938 15.230 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 142 -8.660 15.069 0.842 1.00 0.00 H new ATOM 2122 N TRP A 143 -8.645 13.332 -0.911 1.00 0.00 N ATOM 2123 CA TRP A 143 -8.824 12.350 -1.969 1.00 0.00 C ATOM 2124 C TRP A 143 -9.937 12.769 -2.929 1.00 0.00 C ATOM 2125 O TRP A 143 -10.025 12.265 -4.048 1.00 0.00 O ATOM 2126 CB TRP A 143 -9.135 10.984 -1.359 1.00 0.00 C ATOM 2127 CG TRP A 143 -8.340 10.678 -0.123 1.00 0.00 C ATOM 2128 CD1 TRP A 143 -7.195 11.296 0.304 1.00 0.00 C ATOM 2129 CD2 TRP A 143 -8.636 9.670 0.846 1.00 0.00 C ATOM 2130 NE1 TRP A 143 -6.765 10.728 1.480 1.00 0.00 N ATOM 2131 CE2 TRP A 143 -7.633 9.728 1.832 1.00 0.00 C ATOM 2132 CE3 TRP A 143 -9.653 8.725 0.972 1.00 0.00 C ATOM 2133 CZ2 TRP A 143 -7.623 8.872 2.932 1.00 0.00 C ATOM 2134 CZ3 TRP A 143 -9.643 7.877 2.062 1.00 0.00 C ATOM 2135 CH2 TRP A 143 -8.635 7.955 3.029 1.00 0.00 C ATOM 0 H TRP A 143 -9.037 13.051 -0.012 1.00 0.00 H new ATOM 0 HA TRP A 143 -7.898 12.287 -2.540 1.00 0.00 H new ATOM 0 HB2 TRP A 143 -10.197 10.937 -1.118 1.00 0.00 H new ATOM 0 HB3 TRP A 143 -8.943 10.212 -2.104 1.00 0.00 H new ATOM 0 HD1 TRP A 143 -6.702 12.110 -0.208 1.00 0.00 H new ATOM 0 HE1 TRP A 143 -5.935 11.006 2.005 1.00 0.00 H new ATOM 0 HE3 TRP A 143 -10.435 8.657 0.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 143 -6.846 8.930 3.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 143 -10.426 7.141 2.170 1.00 0.00 H new ATOM 0 HH2 TRP A 143 -8.656 7.278 3.870 1.00 0.00 H new ATOM 2146 N ALA A 144 -10.795 13.683 -2.478 1.00 0.00 N ATOM 2147 CA ALA A 144 -11.913 14.165 -3.287 1.00 0.00 C ATOM 2148 C ALA A 144 -11.508 14.390 -4.740 1.00 0.00 C ATOM 2149 O ALA A 144 -12.122 13.841 -5.655 1.00 0.00 O ATOM 2150 CB ALA A 144 -12.480 15.447 -2.694 1.00 0.00 C ATOM 0 H ALA A 144 -10.736 14.106 -1.552 1.00 0.00 H new ATOM 0 HA ALA A 144 -12.682 13.393 -3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 144 -13.312 15.794 -3.307 1.00 0.00 H new ATOM 0 HB2 ALA A 144 -12.832 15.255 -1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 144 -11.703 16.211 -2.670 1.00 0.00 H new ATOM 2156 N GLU A 145 -10.477 15.202 -4.944 1.00 0.00 N ATOM 2157 CA GLU A 145 -9.994 15.497 -6.286 1.00 0.00 C ATOM 2158 C GLU A 145 -9.507 14.228 -6.983 1.00 0.00 C ATOM 2159 O GLU A 145 -9.516 14.143 -8.211 1.00 0.00 O ATOM 2160 CB GLU A 145 -8.867 16.532 -6.231 1.00 0.00 C ATOM 2161 CG GLU A 145 -9.178 17.806 -6.999 1.00 0.00 C ATOM 2162 CD GLU A 145 -10.307 18.602 -6.376 1.00 0.00 C ATOM 2163 OE1 GLU A 145 -10.285 18.798 -5.142 1.00 0.00 O ATOM 2164 OE2 GLU A 145 -11.215 19.029 -7.120 1.00 0.00 O ATOM 0 H GLU A 145 -9.960 15.667 -4.197 1.00 0.00 H new ATOM 0 HA GLU A 145 -10.824 15.907 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -8.666 16.784 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -7.956 16.088 -6.633 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -8.283 18.426 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -9.441 17.552 -8.026 1.00 0.00 H new ATOM 2171 N PHE A 146 -9.085 13.246 -6.192 1.00 0.00 N ATOM 2172 CA PHE A 146 -8.597 11.984 -6.735 1.00 0.00 C ATOM 2173 C PHE A 146 -9.760 11.088 -7.146 1.00 0.00 C ATOM 2174 O PHE A 146 -9.706 10.424 -8.178 1.00 0.00 O ATOM 2175 CB PHE A 146 -7.706 11.269 -5.706 1.00 0.00 C ATOM 2176 CG PHE A 146 -8.097 9.841 -5.435 1.00 0.00 C ATOM 2177 CD1 PHE A 146 -7.672 8.826 -6.272 1.00 0.00 C ATOM 2178 CD2 PHE A 146 -8.893 9.518 -4.351 1.00 0.00 C ATOM 2179 CE1 PHE A 146 -8.031 7.514 -6.031 1.00 0.00 C ATOM 2180 CE2 PHE A 146 -9.257 8.209 -4.105 1.00 0.00 C ATOM 2181 CZ PHE A 146 -8.826 7.205 -4.946 1.00 0.00 C ATOM 0 H PHE A 146 -9.071 13.300 -5.174 1.00 0.00 H new ATOM 0 HA PHE A 146 -8.002 12.199 -7.622 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -6.675 11.291 -6.058 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -7.734 11.825 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -7.052 9.062 -7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -9.234 10.300 -3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -7.690 6.730 -6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -9.879 7.972 -3.254 1.00 0.00 H new ATOM 0 HZ PHE A 146 -9.110 6.180 -4.756 1.00 0.00 H new ATOM 2191 N THR A 147 -10.801 11.067 -6.321 1.00 0.00 N ATOM 2192 CA THR A 147 -11.974 10.245 -6.590 1.00 0.00 C ATOM 2193 C THR A 147 -12.700 10.707 -7.850 1.00 0.00 C ATOM 2194 O THR A 147 -13.331 9.913 -8.547 1.00 0.00 O ATOM 2195 CB THR A 147 -12.934 10.278 -5.401 1.00 0.00 C ATOM 2196 OG1 THR A 147 -12.229 10.131 -4.181 1.00 0.00 O ATOM 2197 CG2 THR A 147 -13.989 9.196 -5.458 1.00 0.00 C ATOM 0 H THR A 147 -10.856 11.611 -5.460 1.00 0.00 H new ATOM 0 HA THR A 147 -11.630 9.223 -6.747 1.00 0.00 H new ATOM 0 HB THR A 147 -13.428 11.248 -5.454 1.00 0.00 H new ATOM 0 HG1 THR A 147 -11.360 9.713 -4.354 1.00 0.00 H new ATOM 0 HG21 THR A 147 -14.638 9.274 -4.586 1.00 0.00 H new ATOM 0 HG22 THR A 147 -14.583 9.314 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 147 -13.507 8.218 -5.465 1.00 0.00 H new ATOM 2205 N ALA A 148 -12.614 11.995 -8.134 1.00 0.00 N ATOM 2206 CA ALA A 148 -13.265 12.561 -9.310 1.00 0.00 C ATOM 2207 C ALA A 148 -12.336 12.552 -10.517 1.00 0.00 C ATOM 2208 O ALA A 148 -12.731 12.160 -11.615 1.00 0.00 O ATOM 2209 CB ALA A 148 -13.751 13.973 -9.024 1.00 0.00 C ATOM 0 H ALA A 148 -12.101 12.671 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 148 -14.126 11.936 -9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 148 -14.234 14.379 -9.913 1.00 0.00 H new ATOM 0 HB2 ALA A 148 -14.465 13.952 -8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 148 -12.903 14.602 -8.753 1.00 0.00 H new ATOM 2215 N LEU A 149 -11.102 12.996 -10.306 1.00 0.00 N ATOM 2216 CA LEU A 149 -10.114 13.053 -11.376 1.00 0.00 C ATOM 2217 C LEU A 149 -9.979 11.709 -12.086 1.00 0.00 C ATOM 2218 O LEU A 149 -9.824 11.658 -13.305 1.00 0.00 O ATOM 2219 CB LEU A 149 -8.756 13.487 -10.826 1.00 0.00 C ATOM 2220 CG LEU A 149 -7.657 13.625 -11.877 1.00 0.00 C ATOM 2221 CD1 LEU A 149 -7.795 14.950 -12.611 1.00 0.00 C ATOM 2222 CD2 LEU A 149 -6.280 13.501 -11.238 1.00 0.00 C ATOM 0 H LEU A 149 -10.762 13.322 -9.401 1.00 0.00 H new ATOM 0 HA LEU A 149 -10.460 13.788 -12.103 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -8.874 14.443 -10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -8.435 12.764 -10.077 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.765 12.816 -12.600 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -7.006 15.036 -13.358 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -8.766 14.994 -13.103 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -7.712 15.771 -11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -5.512 13.602 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -6.153 14.285 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -6.188 12.526 -10.759 1.00 0.00 H new ATOM 2234 N TYR A 150 -10.040 10.622 -11.323 1.00 0.00 N ATOM 2235 CA TYR A 150 -9.909 9.286 -11.897 1.00 0.00 C ATOM 2236 C TYR A 150 -11.264 8.741 -12.356 1.00 0.00 C ATOM 2237 O TYR A 150 -11.452 7.528 -12.454 1.00 0.00 O ATOM 2238 CB TYR A 150 -9.283 8.332 -10.868 1.00 0.00 C ATOM 2239 CG TYR A 150 -10.297 7.566 -10.045 1.00 0.00 C ATOM 2240 CD1 TYR A 150 -11.148 8.226 -9.170 1.00 0.00 C ATOM 2241 CD2 TYR A 150 -10.407 6.186 -10.152 1.00 0.00 C ATOM 2242 CE1 TYR A 150 -12.078 7.532 -8.422 1.00 0.00 C ATOM 2243 CE2 TYR A 150 -11.337 5.486 -9.407 1.00 0.00 C ATOM 2244 CZ TYR A 150 -12.169 6.167 -8.543 1.00 0.00 C ATOM 2245 OH TYR A 150 -13.100 5.479 -7.797 1.00 0.00 O ATOM 0 H TYR A 150 -10.178 10.638 -10.313 1.00 0.00 H new ATOM 0 HA TYR A 150 -9.260 9.357 -12.770 1.00 0.00 H new ATOM 0 HB2 TYR A 150 -8.641 7.621 -11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 150 -8.644 8.906 -10.197 1.00 0.00 H new ATOM 0 HD1 TYR A 150 -11.082 9.300 -9.073 1.00 0.00 H new ATOM 0 HD2 TYR A 150 -9.756 5.651 -10.828 1.00 0.00 H new ATOM 0 HE1 TYR A 150 -12.732 8.061 -7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 150 -11.412 4.413 -9.501 1.00 0.00 H new ATOM 0 HH TYR A 150 -13.385 4.679 -8.287 1.00 0.00 H new ATOM 2255 N GLY A 151 -12.200 9.641 -12.646 1.00 0.00 N ATOM 2256 CA GLY A 151 -13.514 9.222 -13.097 1.00 0.00 C ATOM 2257 C GLY A 151 -13.510 8.742 -14.535 1.00 0.00 C ATOM 2258 O GLY A 151 -14.245 7.822 -14.891 1.00 0.00 O ATOM 0 H GLY A 151 -12.072 10.650 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 151 -13.878 8.422 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 151 -14.211 10.054 -12.997 1.00 0.00 H new ATOM 2262 N ASP A 152 -12.681 9.368 -15.362 1.00 0.00 N ATOM 2263 CA ASP A 152 -12.587 9.001 -16.769 1.00 0.00 C ATOM 2264 C ASP A 152 -11.184 9.262 -17.308 1.00 0.00 C ATOM 2265 O ASP A 152 -10.670 10.377 -17.215 1.00 0.00 O ATOM 2266 CB ASP A 152 -13.620 9.776 -17.591 1.00 0.00 C ATOM 2267 CG ASP A 152 -14.792 8.910 -18.004 1.00 0.00 C ATOM 2268 OD1 ASP A 152 -14.579 7.707 -18.265 1.00 0.00 O ATOM 2269 OD2 ASP A 152 -15.925 9.432 -18.066 1.00 0.00 O ATOM 0 H ASP A 152 -12.065 10.131 -15.083 1.00 0.00 H new ATOM 0 HA ASP A 152 -12.794 7.934 -16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 152 -13.984 10.622 -17.008 1.00 0.00 H new ATOM 0 HB3 ASP A 152 -13.141 10.184 -18.481 1.00 0.00 H new ATOM 2274 N GLY A 153 -10.571 8.226 -17.870 1.00 0.00 N ATOM 2275 CA GLY A 153 -9.233 8.361 -18.416 1.00 0.00 C ATOM 2276 C GLY A 153 -8.488 7.042 -18.446 1.00 0.00 C ATOM 2277 O GLY A 153 -8.596 6.239 -17.519 1.00 0.00 O ATOM 0 H GLY A 153 -10.977 7.294 -17.957 1.00 0.00 H new ATOM 0 HA2 GLY A 153 -9.295 8.764 -19.427 1.00 0.00 H new ATOM 0 HA3 GLY A 153 -8.671 9.080 -17.820 1.00 0.00 H new ATOM 2281 N ALA A 154 -7.730 6.817 -19.515 1.00 0.00 N ATOM 2282 CA ALA A 154 -6.962 5.586 -19.673 1.00 0.00 C ATOM 2283 C ALA A 154 -6.235 5.205 -18.384 1.00 0.00 C ATOM 2284 O ALA A 154 -5.501 6.011 -17.813 1.00 0.00 O ATOM 2285 CB ALA A 154 -5.967 5.732 -20.815 1.00 0.00 C ATOM 0 H ALA A 154 -7.631 7.475 -20.288 1.00 0.00 H new ATOM 0 HA ALA A 154 -7.663 4.785 -19.907 1.00 0.00 H new ATOM 0 HB1 ALA A 154 -5.400 4.808 -20.924 1.00 0.00 H new ATOM 0 HB2 ALA A 154 -6.504 5.939 -21.741 1.00 0.00 H new ATOM 0 HB3 ALA A 154 -5.284 6.554 -20.600 1.00 0.00 H new ATOM 2291 N LEU A 155 -6.449 3.972 -17.936 1.00 0.00 N ATOM 2292 CA LEU A 155 -5.817 3.478 -16.716 1.00 0.00 C ATOM 2293 C LEU A 155 -4.311 3.301 -16.911 1.00 0.00 C ATOM 2294 O LEU A 155 -3.512 3.754 -16.092 1.00 0.00 O ATOM 2295 CB LEU A 155 -6.445 2.148 -16.289 1.00 0.00 C ATOM 2296 CG LEU A 155 -7.875 2.244 -15.743 1.00 0.00 C ATOM 2297 CD1 LEU A 155 -8.882 1.789 -16.787 1.00 0.00 C ATOM 2298 CD2 LEU A 155 -8.017 1.420 -14.467 1.00 0.00 C ATOM 0 H LEU A 155 -7.056 3.296 -18.399 1.00 0.00 H new ATOM 0 HA LEU A 155 -5.980 4.218 -15.932 1.00 0.00 H new ATOM 0 HB2 LEU A 155 -6.445 1.474 -17.145 1.00 0.00 H new ATOM 0 HB3 LEU A 155 -5.812 1.694 -15.526 1.00 0.00 H new ATOM 0 HG LEU A 155 -8.080 3.288 -15.504 1.00 0.00 H new ATOM 0 HD11 LEU A 155 -9.890 1.865 -16.378 1.00 0.00 H new ATOM 0 HD12 LEU A 155 -8.800 2.421 -17.671 1.00 0.00 H new ATOM 0 HD13 LEU A 155 -8.679 0.754 -17.061 1.00 0.00 H new ATOM 0 HD21 LEU A 155 -9.038 1.500 -14.094 1.00 0.00 H new ATOM 0 HD22 LEU A 155 -7.790 0.376 -14.681 1.00 0.00 H new ATOM 0 HD23 LEU A 155 -7.325 1.795 -13.713 1.00 0.00 H new ATOM 2310 N GLU A 156 -3.931 2.643 -18.005 1.00 0.00 N ATOM 2311 CA GLU A 156 -2.523 2.407 -18.313 1.00 0.00 C ATOM 2312 C GLU A 156 -1.707 3.698 -18.234 1.00 0.00 C ATOM 2313 O GLU A 156 -0.491 3.662 -18.052 1.00 0.00 O ATOM 2314 CB GLU A 156 -2.385 1.796 -19.708 1.00 0.00 C ATOM 2315 CG GLU A 156 -2.533 0.283 -19.727 1.00 0.00 C ATOM 2316 CD GLU A 156 -3.670 -0.183 -20.616 1.00 0.00 C ATOM 2317 OE1 GLU A 156 -4.662 0.562 -20.752 1.00 0.00 O ATOM 2318 OE2 GLU A 156 -3.568 -1.295 -21.176 1.00 0.00 O ATOM 0 H GLU A 156 -4.581 2.263 -18.694 1.00 0.00 H new ATOM 0 HA GLU A 156 -2.133 1.713 -17.569 1.00 0.00 H new ATOM 0 HB2 GLU A 156 -3.137 2.235 -20.364 1.00 0.00 H new ATOM 0 HB3 GLU A 156 -1.411 2.063 -20.118 1.00 0.00 H new ATOM 0 HG2 GLU A 156 -1.601 -0.165 -20.072 1.00 0.00 H new ATOM 0 HG3 GLU A 156 -2.702 -0.074 -18.711 1.00 0.00 H new ATOM 2325 N GLU A 157 -2.385 4.836 -18.366 1.00 0.00 N ATOM 2326 CA GLU A 157 -1.721 6.133 -18.302 1.00 0.00 C ATOM 2327 C GLU A 157 -1.045 6.333 -16.947 1.00 0.00 C ATOM 2328 O GLU A 157 0.184 6.392 -16.853 1.00 0.00 O ATOM 2329 CB GLU A 157 -2.734 7.255 -18.553 1.00 0.00 C ATOM 2330 CG GLU A 157 -2.297 8.249 -19.618 1.00 0.00 C ATOM 2331 CD GLU A 157 -2.830 9.646 -19.361 1.00 0.00 C ATOM 2332 OE1 GLU A 157 -2.975 10.018 -18.178 1.00 0.00 O ATOM 2333 OE2 GLU A 157 -3.103 10.368 -20.343 1.00 0.00 O ATOM 0 H GLU A 157 -3.392 4.885 -18.518 1.00 0.00 H new ATOM 0 HA GLU A 157 -0.954 6.163 -19.076 1.00 0.00 H new ATOM 0 HB2 GLU A 157 -3.685 6.813 -18.850 1.00 0.00 H new ATOM 0 HB3 GLU A 157 -2.908 7.790 -17.619 1.00 0.00 H new ATOM 0 HG2 GLU A 157 -1.208 8.280 -19.657 1.00 0.00 H new ATOM 0 HG3 GLU A 157 -2.641 7.906 -20.594 1.00 0.00 H new ATOM 2340 N ALA A 158 -1.857 6.440 -15.898 1.00 0.00 N ATOM 2341 CA ALA A 158 -1.344 6.638 -14.547 1.00 0.00 C ATOM 2342 C ALA A 158 -0.242 5.637 -14.220 1.00 0.00 C ATOM 2343 O ALA A 158 0.729 5.971 -13.542 1.00 0.00 O ATOM 2344 CB ALA A 158 -2.476 6.543 -13.537 1.00 0.00 C ATOM 0 H ALA A 158 -2.874 6.393 -15.959 1.00 0.00 H new ATOM 0 HA ALA A 158 -0.908 7.636 -14.492 1.00 0.00 H new ATOM 0 HB1 ALA A 158 -2.081 6.692 -12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 158 -3.221 7.310 -13.752 1.00 0.00 H new ATOM 0 HB3 ALA A 158 -2.940 5.559 -13.602 1.00 0.00 H new ATOM 2350 N ARG A 159 -0.395 4.410 -14.704 1.00 0.00 N ATOM 2351 CA ARG A 159 0.593 3.370 -14.458 1.00 0.00 C ATOM 2352 C ARG A 159 1.966 3.809 -14.946 1.00 0.00 C ATOM 2353 O ARG A 159 2.831 4.166 -14.146 1.00 0.00 O ATOM 2354 CB ARG A 159 0.180 2.063 -15.147 1.00 0.00 C ATOM 2355 CG ARG A 159 1.103 0.902 -14.833 1.00 0.00 C ATOM 2356 CD ARG A 159 1.661 0.272 -16.099 1.00 0.00 C ATOM 2357 NE ARG A 159 3.039 -0.188 -15.925 1.00 0.00 N ATOM 2358 CZ ARG A 159 3.667 -0.991 -16.785 1.00 0.00 C ATOM 2359 NH1 ARG A 159 3.044 -1.423 -17.874 1.00 0.00 N ATOM 2360 NH2 ARG A 159 4.922 -1.364 -16.558 1.00 0.00 N ATOM 0 H ARG A 159 -1.192 4.113 -15.267 1.00 0.00 H new ATOM 0 HA ARG A 159 0.645 3.197 -13.383 1.00 0.00 H new ATOM 0 HB2 ARG A 159 -0.834 1.805 -14.842 1.00 0.00 H new ATOM 0 HB3 ARG A 159 0.159 2.220 -16.225 1.00 0.00 H new ATOM 0 HG2 ARG A 159 1.924 1.249 -14.206 1.00 0.00 H new ATOM 0 HG3 ARG A 159 0.560 0.150 -14.260 1.00 0.00 H new ATOM 0 HD2 ARG A 159 1.033 -0.569 -16.392 1.00 0.00 H new ATOM 0 HD3 ARG A 159 1.621 0.997 -16.912 1.00 0.00 H new ATOM 0 HE ARG A 159 3.549 0.123 -15.098 1.00 0.00 H new ATOM 0 HH11 ARG A 159 2.081 -1.141 -18.056 1.00 0.00 H new ATOM 0 HH12 ARG A 159 3.528 -2.037 -18.529 1.00 0.00 H new ATOM 0 HH21 ARG A 159 5.409 -1.036 -15.724 1.00 0.00 H new ATOM 0 HH22 ARG A 159 5.399 -1.978 -17.218 1.00 0.00 H new ATOM 2374 N ARG A 160 2.161 3.772 -16.263 1.00 0.00 N ATOM 2375 CA ARG A 160 3.429 4.152 -16.871 1.00 0.00 C ATOM 2376 C ARG A 160 4.045 5.351 -16.166 1.00 0.00 C ATOM 2377 O ARG A 160 5.266 5.461 -16.059 1.00 0.00 O ATOM 2378 CB ARG A 160 3.217 4.457 -18.352 1.00 0.00 C ATOM 2379 CG ARG A 160 2.989 3.207 -19.183 1.00 0.00 C ATOM 2380 CD ARG A 160 4.303 2.621 -19.666 1.00 0.00 C ATOM 2381 NE ARG A 160 4.106 1.452 -20.519 1.00 0.00 N ATOM 2382 CZ ARG A 160 5.072 0.897 -21.245 1.00 0.00 C ATOM 2383 NH1 ARG A 160 6.300 1.402 -21.223 1.00 0.00 N ATOM 2384 NH2 ARG A 160 4.814 -0.166 -21.997 1.00 0.00 N ATOM 0 H ARG A 160 1.449 3.480 -16.932 1.00 0.00 H new ATOM 0 HA ARG A 160 4.123 3.317 -16.769 1.00 0.00 H new ATOM 0 HB2 ARG A 160 2.361 5.122 -18.462 1.00 0.00 H new ATOM 0 HB3 ARG A 160 4.087 4.990 -18.737 1.00 0.00 H new ATOM 0 HG2 ARG A 160 2.454 2.466 -18.590 1.00 0.00 H new ATOM 0 HG3 ARG A 160 2.358 3.446 -20.039 1.00 0.00 H new ATOM 0 HD2 ARG A 160 4.857 3.381 -20.217 1.00 0.00 H new ATOM 0 HD3 ARG A 160 4.912 2.343 -18.806 1.00 0.00 H new ATOM 0 HE ARG A 160 3.175 1.038 -20.560 1.00 0.00 H new ATOM 0 HH11 ARG A 160 6.505 2.219 -20.648 1.00 0.00 H new ATOM 0 HH12 ARG A 160 7.038 0.973 -21.781 1.00 0.00 H new ATOM 0 HH21 ARG A 160 3.873 -0.559 -22.019 1.00 0.00 H new ATOM 0 HH22 ARG A 160 5.557 -0.590 -22.553 1.00 0.00 H new ATOM 2398 N LEU A 161 3.192 6.229 -15.663 1.00 0.00 N ATOM 2399 CA LEU A 161 3.650 7.407 -14.943 1.00 0.00 C ATOM 2400 C LEU A 161 4.237 7.015 -13.585 1.00 0.00 C ATOM 2401 O LEU A 161 5.387 7.328 -13.281 1.00 0.00 O ATOM 2402 CB LEU A 161 2.497 8.391 -14.754 1.00 0.00 C ATOM 2403 CG LEU A 161 2.913 9.853 -14.576 1.00 0.00 C ATOM 2404 CD1 LEU A 161 2.157 10.748 -15.547 1.00 0.00 C ATOM 2405 CD2 LEU A 161 2.679 10.298 -13.139 1.00 0.00 C ATOM 0 H LEU A 161 2.178 6.148 -15.740 1.00 0.00 H new ATOM 0 HA LEU A 161 4.432 7.888 -15.531 1.00 0.00 H new ATOM 0 HB2 LEU A 161 1.835 8.320 -15.617 1.00 0.00 H new ATOM 0 HB3 LEU A 161 1.918 8.085 -13.882 1.00 0.00 H new ATOM 0 HG LEU A 161 3.977 9.939 -14.795 1.00 0.00 H new ATOM 0 HD11 LEU A 161 2.467 11.783 -15.404 1.00 0.00 H new ATOM 0 HD12 LEU A 161 2.376 10.441 -16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 161 1.086 10.661 -15.363 1.00 0.00 H new ATOM 0 HD21 LEU A 161 2.979 11.340 -13.027 1.00 0.00 H new ATOM 0 HD22 LEU A 161 1.622 10.197 -12.894 1.00 0.00 H new ATOM 0 HD23 LEU A 161 3.268 9.676 -12.465 1.00 0.00 H new ATOM 2417 N ARG A 162 3.437 6.323 -12.777 1.00 0.00 N ATOM 2418 CA ARG A 162 3.878 5.882 -11.457 1.00 0.00 C ATOM 2419 C ARG A 162 5.147 5.032 -11.580 1.00 0.00 C ATOM 2420 O ARG A 162 6.197 5.398 -11.053 1.00 0.00 O ATOM 2421 CB ARG A 162 2.748 5.112 -10.758 1.00 0.00 C ATOM 2422 CG ARG A 162 3.203 3.902 -9.954 1.00 0.00 C ATOM 2423 CD ARG A 162 4.082 4.284 -8.777 1.00 0.00 C ATOM 2424 NE ARG A 162 4.515 3.103 -8.027 1.00 0.00 N ATOM 2425 CZ ARG A 162 5.536 2.329 -8.382 1.00 0.00 C ATOM 2426 NH1 ARG A 162 6.215 2.589 -9.483 1.00 0.00 N ATOM 2427 NH2 ARG A 162 5.867 1.285 -7.635 1.00 0.00 N ATOM 0 H ARG A 162 2.481 6.056 -13.013 1.00 0.00 H new ATOM 0 HA ARG A 162 4.120 6.752 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 162 2.219 5.795 -10.093 1.00 0.00 H new ATOM 0 HB3 ARG A 162 2.032 4.782 -11.511 1.00 0.00 H new ATOM 0 HG2 ARG A 162 2.329 3.362 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 162 3.750 3.221 -10.606 1.00 0.00 H new ATOM 0 HD2 ARG A 162 4.955 4.830 -9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 162 3.535 4.956 -8.116 1.00 0.00 H new ATOM 0 HE ARG A 162 4.002 2.859 -7.180 1.00 0.00 H new ATOM 0 HH11 ARG A 162 5.957 3.386 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 162 6.998 1.993 -9.752 1.00 0.00 H new ATOM 0 HH21 ARG A 162 5.338 1.076 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.650 0.691 -7.907 1.00 0.00 H new ATOM 2441 N GLU A 163 5.050 3.904 -12.282 1.00 0.00 N ATOM 2442 CA GLU A 163 6.206 3.027 -12.472 1.00 0.00 C ATOM 2443 C GLU A 163 7.311 3.735 -13.241 1.00 0.00 C ATOM 2444 O GLU A 163 8.472 3.332 -13.184 1.00 0.00 O ATOM 2445 CB GLU A 163 5.818 1.756 -13.219 1.00 0.00 C ATOM 2446 CG GLU A 163 6.325 0.489 -12.544 1.00 0.00 C ATOM 2447 CD GLU A 163 7.083 -0.412 -13.496 1.00 0.00 C ATOM 2448 OE1 GLU A 163 8.089 0.049 -14.074 1.00 0.00 O ATOM 2449 OE2 GLU A 163 6.671 -1.579 -13.664 1.00 0.00 O ATOM 0 H GLU A 163 4.191 3.577 -12.725 1.00 0.00 H new ATOM 0 HA GLU A 163 6.571 2.762 -11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 163 4.732 1.707 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 163 6.213 1.803 -14.234 1.00 0.00 H new ATOM 0 HG2 GLU A 163 6.974 0.760 -11.711 1.00 0.00 H new ATOM 0 HG3 GLU A 163 5.481 -0.059 -12.125 1.00 0.00 H new ATOM 2456 N GLY A 164 6.945 4.784 -13.969 1.00 0.00 N ATOM 2457 CA GLY A 164 7.926 5.515 -14.744 1.00 0.00 C ATOM 2458 C GLY A 164 8.944 6.209 -13.868 1.00 0.00 C ATOM 2459 O GLY A 164 10.131 5.896 -13.920 1.00 0.00 O ATOM 0 H GLY A 164 5.991 5.139 -14.035 1.00 0.00 H new ATOM 0 HA2 GLY A 164 8.438 4.829 -15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 164 7.419 6.254 -15.364 1.00 0.00 H new ATOM 2463 N ASN A 165 8.473 7.149 -13.060 1.00 0.00 N ATOM 2464 CA ASN A 165 9.343 7.895 -12.165 1.00 0.00 C ATOM 2465 C ASN A 165 9.928 6.997 -11.076 1.00 0.00 C ATOM 2466 O ASN A 165 11.132 7.030 -10.822 1.00 0.00 O ATOM 2467 CB ASN A 165 8.576 9.060 -11.535 1.00 0.00 C ATOM 2468 CG ASN A 165 7.771 9.842 -12.555 1.00 0.00 C ATOM 2469 OD1 ASN A 165 6.624 9.505 -12.848 1.00 0.00 O ATOM 2470 ND2 ASN A 165 8.371 10.893 -13.100 1.00 0.00 N ATOM 0 H ASN A 165 7.489 7.413 -13.007 1.00 0.00 H new ATOM 0 HA ASN A 165 10.172 8.288 -12.754 1.00 0.00 H new ATOM 0 HB2 ASN A 165 7.907 8.676 -10.765 1.00 0.00 H new ATOM 0 HB3 ASN A 165 9.280 9.730 -11.041 1.00 0.00 H new ATOM 0 HD21 ASN A 165 7.880 11.459 -13.792 1.00 0.00 H new ATOM 0 HD22 ASN A 165 9.323 11.135 -12.827 1.00 0.00 H new ATOM 2477 N TRP A 166 9.080 6.195 -10.428 1.00 0.00 N ATOM 2478 CA TRP A 166 9.547 5.305 -9.367 1.00 0.00 C ATOM 2479 C TRP A 166 10.626 4.358 -9.879 1.00 0.00 C ATOM 2480 O TRP A 166 11.779 4.428 -9.452 1.00 0.00 O ATOM 2481 CB TRP A 166 8.384 4.501 -8.790 1.00 0.00 C ATOM 2482 CG TRP A 166 7.591 5.259 -7.773 1.00 0.00 C ATOM 2483 CD1 TRP A 166 7.010 6.482 -7.936 1.00 0.00 C ATOM 2484 CD2 TRP A 166 7.297 4.846 -6.434 1.00 0.00 C ATOM 2485 NE1 TRP A 166 6.369 6.855 -6.780 1.00 0.00 N ATOM 2486 CE2 TRP A 166 6.531 5.867 -5.843 1.00 0.00 C ATOM 2487 CE3 TRP A 166 7.607 3.713 -5.678 1.00 0.00 C ATOM 2488 CZ2 TRP A 166 6.069 5.787 -4.532 1.00 0.00 C ATOM 2489 CZ3 TRP A 166 7.148 3.634 -4.378 1.00 0.00 C ATOM 2490 CH2 TRP A 166 6.386 4.666 -3.816 1.00 0.00 C ATOM 0 H TRP A 166 8.079 6.144 -10.617 1.00 0.00 H new ATOM 0 HA TRP A 166 9.976 5.925 -8.580 1.00 0.00 H new ATOM 0 HB2 TRP A 166 7.724 4.195 -9.602 1.00 0.00 H new ATOM 0 HB3 TRP A 166 8.771 3.590 -8.334 1.00 0.00 H new ATOM 0 HD1 TRP A 166 7.048 7.070 -8.841 1.00 0.00 H new ATOM 0 HE1 TRP A 166 5.856 7.725 -6.641 1.00 0.00 H new ATOM 0 HE3 TRP A 166 8.195 2.913 -6.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 166 5.481 6.582 -4.096 1.00 0.00 H new ATOM 0 HZ3 TRP A 166 7.380 2.762 -3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 166 6.042 4.575 -2.796 1.00 0.00 H new ATOM 2501 N ALA A 167 10.244 3.474 -10.794 1.00 0.00 N ATOM 2502 CA ALA A 167 11.178 2.513 -11.365 1.00 0.00 C ATOM 2503 C ALA A 167 12.370 3.214 -12.013 1.00 0.00 C ATOM 2504 O ALA A 167 13.422 2.604 -12.213 1.00 0.00 O ATOM 2505 CB ALA A 167 10.469 1.625 -12.374 1.00 0.00 C ATOM 0 H ALA A 167 9.293 3.404 -11.156 1.00 0.00 H new ATOM 0 HA ALA A 167 11.559 1.891 -10.555 1.00 0.00 H new ATOM 0 HB1 ALA A 167 11.179 0.912 -12.793 1.00 0.00 H new ATOM 0 HB2 ALA A 167 9.661 1.085 -11.880 1.00 0.00 H new ATOM 0 HB3 ALA A 167 10.058 2.240 -13.174 1.00 0.00 H new ATOM 2511 N SER A 168 12.212 4.501 -12.331 1.00 0.00 N ATOM 2512 CA SER A 168 13.289 5.277 -12.944 1.00 0.00 C ATOM 2513 C SER A 168 14.408 5.560 -11.944 1.00 0.00 C ATOM 2514 O SER A 168 15.225 6.455 -12.160 1.00 0.00 O ATOM 2515 CB SER A 168 12.752 6.600 -13.493 1.00 0.00 C ATOM 2516 OG SER A 168 13.077 6.753 -14.864 1.00 0.00 O ATOM 0 H SER A 168 11.351 5.025 -12.174 1.00 0.00 H new ATOM 0 HA SER A 168 13.695 4.683 -13.762 1.00 0.00 H new ATOM 0 HB2 SER A 168 11.670 6.637 -13.366 1.00 0.00 H new ATOM 0 HB3 SER A 168 13.169 7.430 -12.922 1.00 0.00 H new ATOM 0 HG SER A 168 12.721 7.605 -15.191 1.00 0.00 H new ATOM 2522 N VAL A 169 14.444 4.800 -10.852 1.00 0.00 N ATOM 2523 CA VAL A 169 15.464 4.975 -9.827 1.00 0.00 C ATOM 2524 C VAL A 169 16.846 5.159 -10.451 1.00 0.00 C ATOM 2525 O VAL A 169 17.315 4.311 -11.210 1.00 0.00 O ATOM 2526 CB VAL A 169 15.496 3.772 -8.864 1.00 0.00 C ATOM 2527 CG1 VAL A 169 15.713 2.477 -9.632 1.00 0.00 C ATOM 2528 CG2 VAL A 169 16.573 3.959 -7.804 1.00 0.00 C ATOM 0 H VAL A 169 13.775 4.055 -10.656 1.00 0.00 H new ATOM 0 HA VAL A 169 15.205 5.873 -9.266 1.00 0.00 H new ATOM 0 HB VAL A 169 14.532 3.712 -8.360 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.733 1.639 -8.935 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.901 2.337 -10.345 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.661 2.526 -10.167 1.00 0.00 H new ATOM 0 HG21 VAL A 169 16.578 3.099 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 169 17.546 4.050 -8.286 1.00 0.00 H new ATOM 0 HG23 VAL A 169 16.366 4.863 -7.231 1.00 0.00 H new