USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 89 CYS SG : rot -92:sc= 0.00738 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.319 K(o=-0.85,f=-2.3) USER MOD Set 1.3: A 97 HIS : no HD1:sc= -0.542 K(o=-0.85,f=-3.2!) USER MOD Set 2.1: A 29 HIS : no HE2:sc= -1.67 K(o=-0.85,f=-9.1!) USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= 0.821 USER MOD Set 3.1: A 17 CYS SG : rot 87:sc= -7.38! USER MOD Set 3.2: A 67 MET CE :methyl 140:sc= -3.1 (180deg=-5.49!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.018) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0243 USER MOD Single : A 24 MET CE :methyl -171:sc= -0.0552 (180deg=-0.221) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc=-0.00479 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.0304 USER MOD Single : A 51 HIS : no HD1:sc=-0.000496 X(o=-0.0005,f=-0.11) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -2.04! K(o=-2!,f=0.29) USER MOD Single : A 58 MET CE :methyl 163:sc= 0 (180deg=-0.243) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 110:sc= 1.14 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -124:sc= 0.187 (180deg=0) USER MOD Single : A 72 TYR OH : rot 27:sc= -0.228 USER MOD Single : A 76 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 85 MET CE :methyl 156:sc= -0.194 (180deg=-0.968) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -1.9! X(o=-1.9!,f=-1.4) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.035 (180deg=-0.334) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -130:sc= -3.84! (180deg=-9.09!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 112 MET CE :methyl -156:sc= -0.155 (180deg=-0.747) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 MET CE :methyl -171:sc= 0 (180deg=-0.0977) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.763 18.104 6.468 1.00 0.00 N ATOM 115 CA SER A 11 -5.793 18.953 5.882 1.00 0.00 C ATOM 116 C SER A 11 -7.131 18.223 5.824 1.00 0.00 C ATOM 117 O SER A 11 -7.192 17.004 5.986 1.00 0.00 O ATOM 118 CB SER A 11 -5.379 19.396 4.477 1.00 0.00 C ATOM 119 OG SER A 11 -4.537 20.534 4.528 1.00 0.00 O ATOM 0 HA SER A 11 -5.907 19.833 6.514 1.00 0.00 H new ATOM 0 HB2 SER A 11 -4.862 18.580 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.267 19.623 3.888 1.00 0.00 H new ATOM 0 HG SER A 11 -4.285 20.796 3.618 1.00 0.00 H new ATOM 125 N GLU A 12 -8.201 18.978 5.593 1.00 0.00 N ATOM 126 CA GLU A 12 -9.538 18.403 5.514 1.00 0.00 C ATOM 127 C GLU A 12 -9.552 17.180 4.601 1.00 0.00 C ATOM 128 O GLU A 12 -10.450 16.341 4.683 1.00 0.00 O ATOM 129 CB GLU A 12 -10.536 19.445 5.005 1.00 0.00 C ATOM 130 CG GLU A 12 -10.070 20.175 3.757 1.00 0.00 C ATOM 131 CD GLU A 12 -11.224 20.656 2.898 1.00 0.00 C ATOM 132 OE1 GLU A 12 -12.352 20.155 3.086 1.00 0.00 O ATOM 133 OE2 GLU A 12 -10.998 21.533 2.038 1.00 0.00 O ATOM 0 H GLU A 12 -8.167 19.988 5.457 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.830 18.089 6.516 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.486 18.954 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.722 20.174 5.794 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.457 21.029 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.435 19.512 3.169 1.00 0.00 H new ATOM 140 N HIS A 13 -8.552 17.087 3.731 1.00 0.00 N ATOM 141 CA HIS A 13 -8.448 15.968 2.802 1.00 0.00 C ATOM 142 C HIS A 13 -7.666 14.815 3.424 1.00 0.00 C ATOM 143 O HIS A 13 -8.141 13.680 3.468 1.00 0.00 O ATOM 144 CB HIS A 13 -7.775 16.415 1.504 1.00 0.00 C ATOM 145 CG HIS A 13 -8.707 17.091 0.547 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.290 18.025 -0.377 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.043 16.963 0.374 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.329 18.444 -1.077 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.406 17.814 -0.641 1.00 0.00 N ATOM 0 H HIS A 13 -7.802 17.773 3.650 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.456 15.620 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -6.958 17.095 1.744 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.334 15.546 1.016 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -10.701 16.313 0.931 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.303 19.176 -1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.353 17.939 -1.000 1.00 0.00 H new ATOM 157 N LEU A 14 -6.464 15.114 3.905 1.00 0.00 N ATOM 158 CA LEU A 14 -5.614 14.103 4.524 1.00 0.00 C ATOM 159 C LEU A 14 -6.280 13.520 5.767 1.00 0.00 C ATOM 160 O LEU A 14 -6.363 12.302 5.924 1.00 0.00 O ATOM 161 CB LEU A 14 -4.257 14.706 4.894 1.00 0.00 C ATOM 162 CG LEU A 14 -3.172 14.623 3.820 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.027 15.571 4.144 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.663 13.196 3.684 1.00 0.00 C ATOM 0 H LEU A 14 -6.056 16.049 3.878 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.463 13.299 3.803 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.406 15.755 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.892 14.206 5.791 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.608 14.924 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.264 15.498 3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.403 16.593 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.593 15.301 5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.891 13.157 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.245 12.867 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.488 12.541 3.404 1.00 0.00 H new ATOM 176 N ARG A 15 -6.753 14.398 6.645 1.00 0.00 N ATOM 177 CA ARG A 15 -7.412 13.970 7.873 1.00 0.00 C ATOM 178 C ARG A 15 -8.385 12.827 7.599 1.00 0.00 C ATOM 179 O ARG A 15 -8.619 11.977 8.458 1.00 0.00 O ATOM 180 CB ARG A 15 -8.155 15.144 8.514 1.00 0.00 C ATOM 181 CG ARG A 15 -9.418 15.545 7.769 1.00 0.00 C ATOM 182 CD ARG A 15 -10.371 16.321 8.665 1.00 0.00 C ATOM 183 NE ARG A 15 -11.132 15.440 9.546 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.675 15.837 10.692 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.541 17.094 11.092 1.00 0.00 N ATOM 186 NH2 ARG A 15 -12.354 14.976 11.440 1.00 0.00 N ATOM 0 H ARG A 15 -6.692 15.410 6.529 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.646 13.614 8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.416 14.882 9.539 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.485 16.003 8.565 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.154 16.153 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.917 14.653 7.391 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.805 17.033 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.059 16.899 8.048 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.254 14.467 9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.020 17.759 10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.959 17.396 11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.459 14.008 11.135 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.770 15.282 12.319 1.00 0.00 H new ATOM 200 N TYR A 16 -8.949 12.814 6.396 1.00 0.00 N ATOM 201 CA TYR A 16 -9.899 11.777 6.009 1.00 0.00 C ATOM 202 C TYR A 16 -9.175 10.559 5.444 1.00 0.00 C ATOM 203 O TYR A 16 -9.509 9.419 5.769 1.00 0.00 O ATOM 204 CB TYR A 16 -10.887 12.322 4.976 1.00 0.00 C ATOM 205 CG TYR A 16 -11.930 11.315 4.546 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.581 10.207 3.784 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.263 11.472 4.903 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.531 9.285 3.388 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.220 10.554 4.513 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.849 9.463 3.755 1.00 0.00 C ATOM 211 OH TYR A 16 -14.798 8.546 3.364 1.00 0.00 O ATOM 0 H TYR A 16 -8.765 13.509 5.673 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.447 11.470 6.900 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.388 13.197 5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.334 12.657 4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.550 10.064 3.496 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.557 12.326 5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.243 8.430 2.794 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.252 10.690 4.800 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.676 8.817 3.706 1.00 0.00 H new ATOM 221 N CYS A 17 -8.183 10.809 4.597 1.00 0.00 N ATOM 222 CA CYS A 17 -7.410 9.733 3.986 1.00 0.00 C ATOM 223 C CYS A 17 -6.699 8.902 5.049 1.00 0.00 C ATOM 224 O CYS A 17 -6.530 7.692 4.895 1.00 0.00 O ATOM 225 CB CYS A 17 -6.389 10.305 3.001 1.00 0.00 C ATOM 226 SG CYS A 17 -4.811 10.761 3.757 1.00 0.00 S ATOM 0 H CYS A 17 -7.895 11.747 4.318 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.101 9.085 3.446 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.205 9.570 2.217 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.817 11.185 2.520 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.027 9.725 3.783 1.00 0.00 H new ATOM 232 N ASP A 18 -6.284 9.559 6.126 1.00 0.00 N ATOM 233 CA ASP A 18 -5.590 8.881 7.215 1.00 0.00 C ATOM 234 C ASP A 18 -6.437 7.742 7.773 1.00 0.00 C ATOM 235 O ASP A 18 -5.936 6.644 8.017 1.00 0.00 O ATOM 236 CB ASP A 18 -5.251 9.874 8.328 1.00 0.00 C ATOM 237 CG ASP A 18 -4.725 9.189 9.574 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.083 8.126 9.441 1.00 0.00 O ATOM 239 OD2 ASP A 18 -4.955 9.716 10.682 1.00 0.00 O ATOM 0 H ASP A 18 -6.416 10.560 6.269 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.665 8.462 6.819 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.507 10.582 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.141 10.449 8.581 1.00 0.00 H new ATOM 244 N SER A 19 -7.723 8.011 7.974 1.00 0.00 N ATOM 245 CA SER A 19 -8.639 7.010 8.508 1.00 0.00 C ATOM 246 C SER A 19 -8.791 5.841 7.540 1.00 0.00 C ATOM 247 O SER A 19 -8.832 4.681 7.952 1.00 0.00 O ATOM 248 CB SER A 19 -10.007 7.637 8.787 1.00 0.00 C ATOM 249 OG SER A 19 -9.875 8.985 9.201 1.00 0.00 O ATOM 0 H SER A 19 -8.154 8.914 7.775 1.00 0.00 H new ATOM 0 HA SER A 19 -8.222 6.634 9.442 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.623 7.588 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.522 7.065 9.559 1.00 0.00 H new ATOM 0 HG SER A 19 -10.763 9.363 9.371 1.00 0.00 H new ATOM 255 N ILE A 20 -8.873 6.154 6.252 1.00 0.00 N ATOM 256 CA ILE A 20 -9.019 5.130 5.224 1.00 0.00 C ATOM 257 C ILE A 20 -8.125 3.930 5.514 1.00 0.00 C ATOM 258 O ILE A 20 -8.495 2.786 5.243 1.00 0.00 O ATOM 259 CB ILE A 20 -8.680 5.683 3.827 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.636 6.819 3.459 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.744 4.572 2.789 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.467 7.314 2.039 1.00 0.00 C ATOM 0 H ILE A 20 -8.841 7.109 5.895 1.00 0.00 H new ATOM 0 HA ILE A 20 -10.062 4.815 5.238 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.665 6.079 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.662 6.479 3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.481 7.651 4.146 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.502 4.978 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.027 3.792 3.046 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.749 4.149 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.177 8.119 1.847 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.451 7.685 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.651 6.495 1.344 1.00 0.00 H new ATOM 274 N LEU A 21 -6.947 4.196 6.069 1.00 0.00 N ATOM 275 CA LEU A 21 -6.000 3.137 6.399 1.00 0.00 C ATOM 276 C LEU A 21 -6.386 2.448 7.704 1.00 0.00 C ATOM 277 O LEU A 21 -6.381 1.220 7.794 1.00 0.00 O ATOM 278 CB LEU A 21 -4.585 3.707 6.509 1.00 0.00 C ATOM 279 CG LEU A 21 -3.551 2.811 7.190 1.00 0.00 C ATOM 280 CD1 LEU A 21 -3.172 1.649 6.284 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.317 3.615 7.573 1.00 0.00 C ATOM 0 H LEU A 21 -6.625 5.136 6.300 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.026 2.398 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.230 3.939 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.636 4.649 7.055 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.993 2.406 8.100 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.435 1.022 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.060 1.057 6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.749 2.034 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.592 2.960 8.057 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.873 4.049 6.677 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.601 4.412 8.260 1.00 0.00 H new ATOM 293 N ARG A 22 -6.720 3.246 8.712 1.00 0.00 N ATOM 294 CA ARG A 22 -7.110 2.713 10.012 1.00 0.00 C ATOM 295 C ARG A 22 -8.021 1.500 9.851 1.00 0.00 C ATOM 296 O ARG A 22 -7.794 0.456 10.462 1.00 0.00 O ATOM 297 CB ARG A 22 -7.817 3.790 10.837 1.00 0.00 C ATOM 298 CG ARG A 22 -6.878 4.597 11.718 1.00 0.00 C ATOM 299 CD ARG A 22 -6.703 3.951 13.084 1.00 0.00 C ATOM 300 NE ARG A 22 -5.574 3.025 13.110 1.00 0.00 N ATOM 301 CZ ARG A 22 -5.194 2.361 14.196 1.00 0.00 C ATOM 302 NH1 ARG A 22 -5.850 2.518 15.337 1.00 0.00 N ATOM 303 NH2 ARG A 22 -4.156 1.536 14.141 1.00 0.00 N ATOM 0 H ARG A 22 -6.729 4.264 8.654 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.206 2.400 10.535 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.340 4.467 10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.573 3.317 11.464 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.908 4.688 11.230 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.269 5.607 11.839 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.553 4.726 13.835 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.615 3.418 13.353 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.049 2.880 12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.649 3.150 15.383 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.556 2.007 16.169 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.649 1.411 13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.865 1.026 14.975 1.00 0.00 H new ATOM 317 N GLU A 23 -9.052 1.646 9.025 1.00 0.00 N ATOM 318 CA GLU A 23 -9.998 0.562 8.786 1.00 0.00 C ATOM 319 C GLU A 23 -9.308 -0.624 8.118 1.00 0.00 C ATOM 320 O GLU A 23 -9.430 -1.762 8.571 1.00 0.00 O ATOM 321 CB GLU A 23 -11.157 1.049 7.913 1.00 0.00 C ATOM 322 CG GLU A 23 -11.823 -0.057 7.112 1.00 0.00 C ATOM 323 CD GLU A 23 -12.604 -1.020 7.985 1.00 0.00 C ATOM 324 OE1 GLU A 23 -11.980 -1.936 8.562 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.837 -0.859 8.091 1.00 0.00 O ATOM 0 H GLU A 23 -9.254 2.503 8.510 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.390 0.237 9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.904 1.526 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.788 1.811 7.227 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.494 0.386 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.063 -0.609 6.559 1.00 0.00 H new ATOM 332 N MET A 24 -8.584 -0.349 7.038 1.00 0.00 N ATOM 333 CA MET A 24 -7.874 -1.393 6.308 1.00 0.00 C ATOM 334 C MET A 24 -6.986 -2.204 7.246 1.00 0.00 C ATOM 335 O MET A 24 -6.685 -3.369 6.979 1.00 0.00 O ATOM 336 CB MET A 24 -7.028 -0.778 5.191 1.00 0.00 C ATOM 337 CG MET A 24 -7.853 -0.186 4.060 1.00 0.00 C ATOM 338 SD MET A 24 -6.992 -0.225 2.477 1.00 0.00 S ATOM 339 CE MET A 24 -5.458 0.596 2.906 1.00 0.00 C ATOM 0 H MET A 24 -8.474 0.587 6.649 1.00 0.00 H new ATOM 0 HA MET A 24 -8.614 -2.062 5.868 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.394 0.001 5.614 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.366 -1.543 4.785 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.790 -0.736 3.973 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.110 0.845 4.304 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.885 0.793 2.000 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.678 1.538 3.408 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.877 -0.043 3.571 1.00 0.00 H new ATOM 349 N LEU A 25 -6.570 -1.584 8.344 1.00 0.00 N ATOM 350 CA LEU A 25 -5.716 -2.249 9.322 1.00 0.00 C ATOM 351 C LEU A 25 -6.552 -2.973 10.372 1.00 0.00 C ATOM 352 O LEU A 25 -6.120 -3.148 11.511 1.00 0.00 O ATOM 353 CB LEU A 25 -4.795 -1.232 10.000 1.00 0.00 C ATOM 354 CG LEU A 25 -3.442 -0.998 9.326 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.808 0.287 9.835 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.516 -2.182 9.564 1.00 0.00 C ATOM 0 H LEU A 25 -6.810 -0.621 8.580 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.109 -2.986 8.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.320 -0.278 10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.616 -1.560 11.024 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.604 -0.899 8.253 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.846 0.437 9.345 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.464 1.129 9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.659 0.217 10.912 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.558 -1.998 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.360 -2.312 10.635 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.966 -3.085 9.150 1.00 0.00 H new ATOM 368 N SER A 26 -7.749 -3.395 9.979 1.00 0.00 N ATOM 369 CA SER A 26 -8.647 -4.100 10.886 1.00 0.00 C ATOM 370 C SER A 26 -8.548 -5.609 10.684 1.00 0.00 C ATOM 371 O SER A 26 -8.246 -6.083 9.589 1.00 0.00 O ATOM 372 CB SER A 26 -10.090 -3.639 10.671 1.00 0.00 C ATOM 373 OG SER A 26 -10.958 -4.212 11.634 1.00 0.00 O ATOM 0 H SER A 26 -8.120 -3.261 9.038 1.00 0.00 H new ATOM 0 HA SER A 26 -8.347 -3.867 11.908 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.141 -2.552 10.733 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.418 -3.917 9.670 1.00 0.00 H new ATOM 0 HG SER A 26 -11.874 -3.900 11.476 1.00 0.00 H new ATOM 379 N LYS A 27 -8.805 -6.360 11.750 1.00 0.00 N ATOM 380 CA LYS A 27 -8.748 -7.816 11.692 1.00 0.00 C ATOM 381 C LYS A 27 -9.679 -8.355 10.611 1.00 0.00 C ATOM 382 O LYS A 27 -9.397 -9.380 9.989 1.00 0.00 O ATOM 383 CB LYS A 27 -9.123 -8.416 13.049 1.00 0.00 C ATOM 384 CG LYS A 27 -8.017 -8.317 14.085 1.00 0.00 C ATOM 385 CD LYS A 27 -6.999 -9.434 13.922 1.00 0.00 C ATOM 386 CE LYS A 27 -5.660 -9.062 14.542 1.00 0.00 C ATOM 387 NZ LYS A 27 -4.812 -8.279 13.601 1.00 0.00 N ATOM 0 H LYS A 27 -9.055 -5.984 12.665 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.727 -8.105 11.444 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.011 -7.909 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.388 -9.464 12.912 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.518 -7.352 13.995 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.449 -8.360 15.085 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.377 -10.344 14.389 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.863 -9.652 12.863 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.828 -8.481 15.449 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.132 -9.969 14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.909 -8.045 14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.630 -8.843 12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.304 -7.401 13.338 1.00 0.00 H new ATOM 401 N LYS A 28 -10.789 -7.659 10.391 1.00 0.00 N ATOM 402 CA LYS A 28 -11.761 -8.065 9.383 1.00 0.00 C ATOM 403 C LYS A 28 -11.129 -8.086 7.995 1.00 0.00 C ATOM 404 O LYS A 28 -11.359 -9.007 7.211 1.00 0.00 O ATOM 405 CB LYS A 28 -12.963 -7.119 9.394 1.00 0.00 C ATOM 406 CG LYS A 28 -14.025 -7.473 8.367 1.00 0.00 C ATOM 407 CD LYS A 28 -14.772 -6.239 7.889 1.00 0.00 C ATOM 408 CE LYS A 28 -15.675 -5.678 8.977 1.00 0.00 C ATOM 409 NZ LYS A 28 -16.763 -4.833 8.412 1.00 0.00 N ATOM 0 H LYS A 28 -11.038 -6.810 10.898 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.098 -9.073 9.624 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.413 -7.128 10.387 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.616 -6.102 9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.558 -7.969 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.731 -8.181 8.801 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.057 -5.477 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.369 -6.491 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.111 -6.499 9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.081 -5.087 9.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.357 -4.469 9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.347 -4.035 7.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.346 -5.403 7.767 1.00 0.00 H new ATOM 423 N HIS A 29 -10.330 -7.066 7.698 1.00 0.00 N ATOM 424 CA HIS A 29 -9.662 -6.969 6.405 1.00 0.00 C ATOM 425 C HIS A 29 -8.298 -7.652 6.445 1.00 0.00 C ATOM 426 O HIS A 29 -7.720 -7.964 5.405 1.00 0.00 O ATOM 427 CB HIS A 29 -9.501 -5.504 5.999 1.00 0.00 C ATOM 428 CG HIS A 29 -10.794 -4.750 5.952 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.966 -5.295 5.472 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.096 -3.485 6.329 1.00 0.00 C ATOM 431 CE1 HIS A 29 -12.932 -4.398 5.555 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.431 -3.291 6.072 1.00 0.00 N ATOM 0 H HIS A 29 -10.129 -6.295 8.335 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.281 -7.477 5.665 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.829 -5.012 6.702 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.027 -5.457 5.019 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -12.071 -6.243 5.110 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.414 -2.763 6.753 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.958 -4.545 5.251 1.00 0.00 H new ATOM 440 N ALA A 30 -7.791 -7.879 7.652 1.00 0.00 N ATOM 441 CA ALA A 30 -6.496 -8.525 7.827 1.00 0.00 C ATOM 442 C ALA A 30 -6.423 -9.830 7.041 1.00 0.00 C ATOM 443 O ALA A 30 -5.400 -10.142 6.432 1.00 0.00 O ATOM 444 CB ALA A 30 -6.228 -8.780 9.302 1.00 0.00 C ATOM 0 H ALA A 30 -8.257 -7.625 8.523 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.728 -7.855 7.440 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.258 -9.263 9.417 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.228 -7.833 9.841 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.006 -9.428 9.706 1.00 0.00 H new ATOM 450 N ALA A 31 -7.514 -10.588 7.059 1.00 0.00 N ATOM 451 CA ALA A 31 -7.573 -11.859 6.347 1.00 0.00 C ATOM 452 C ALA A 31 -7.073 -11.709 4.915 1.00 0.00 C ATOM 453 O ALA A 31 -6.315 -12.544 4.421 1.00 0.00 O ATOM 454 CB ALA A 31 -8.994 -12.403 6.358 1.00 0.00 C ATOM 0 H ALA A 31 -8.369 -10.344 7.559 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.921 -12.566 6.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.024 -13.352 5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.317 -12.556 7.388 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -9.660 -11.691 5.871 1.00 0.00 H new ATOM 460 N TYR A 32 -7.501 -10.641 4.252 1.00 0.00 N ATOM 461 CA TYR A 32 -7.099 -10.383 2.874 1.00 0.00 C ATOM 462 C TYR A 32 -6.351 -9.058 2.763 1.00 0.00 C ATOM 463 O TYR A 32 -6.261 -8.472 1.685 1.00 0.00 O ATOM 464 CB TYR A 32 -8.323 -10.369 1.957 1.00 0.00 C ATOM 465 CG TYR A 32 -9.515 -9.652 2.550 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.668 -8.279 2.404 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.490 -10.348 3.254 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.754 -7.619 2.944 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.581 -9.697 3.797 1.00 0.00 C ATOM 470 CZ TYR A 32 -11.708 -8.333 3.639 1.00 0.00 C ATOM 471 OH TYR A 32 -12.794 -7.680 4.178 1.00 0.00 O ATOM 0 H TYR A 32 -8.127 -9.939 4.647 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.429 -11.184 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.055 -9.892 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.605 -11.396 1.726 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.924 -7.718 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.393 -11.416 3.379 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.856 -6.551 2.823 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.330 -10.253 4.342 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.371 -8.327 4.635 1.00 0.00 H new ATOM 481 N ALA A 33 -5.816 -8.593 3.887 1.00 0.00 N ATOM 482 CA ALA A 33 -5.073 -7.339 3.917 1.00 0.00 C ATOM 483 C ALA A 33 -3.735 -7.511 4.627 1.00 0.00 C ATOM 484 O ALA A 33 -2.996 -6.545 4.822 1.00 0.00 O ATOM 485 CB ALA A 33 -5.897 -6.254 4.595 1.00 0.00 C ATOM 0 H ALA A 33 -5.883 -9.065 4.788 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.873 -7.039 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.330 -5.323 4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.825 -6.104 4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.126 -6.556 5.617 1.00 0.00 H new ATOM 491 N TRP A 34 -3.429 -8.744 5.013 1.00 0.00 N ATOM 492 CA TRP A 34 -2.178 -9.041 5.702 1.00 0.00 C ATOM 493 C TRP A 34 -1.028 -9.171 4.710 1.00 0.00 C ATOM 494 O TRP A 34 0.128 -8.877 5.016 1.00 0.00 O ATOM 495 CB TRP A 34 -2.315 -10.329 6.516 1.00 0.00 C ATOM 496 CG TRP A 34 -2.399 -11.562 5.668 1.00 0.00 C ATOM 497 CD1 TRP A 34 -3.522 -12.286 5.383 1.00 0.00 C ATOM 498 CD2 TRP A 34 -1.317 -12.216 4.996 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.202 -13.350 4.575 1.00 0.00 N ATOM 500 CE2 TRP A 34 -1.856 -13.329 4.323 1.00 0.00 C ATOM 501 CE3 TRP A 34 0.055 -11.968 4.897 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.070 -14.191 3.563 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.834 -12.825 4.143 1.00 0.00 C ATOM 504 CH2 TRP A 34 0.270 -13.925 3.483 1.00 0.00 C ATOM 0 H TRP A 34 -4.029 -9.554 4.861 1.00 0.00 H new ATOM 0 HA TRP A 34 -1.958 -8.214 6.377 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -1.462 -10.417 7.189 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.207 -10.264 7.139 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -4.515 -12.056 5.740 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -3.860 -14.044 4.220 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.498 -11.122 5.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -1.503 -15.040 3.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.896 -12.644 4.061 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.905 -14.575 2.900 1.00 0.00 H new ATOM 515 N PRO A 35 -1.346 -9.624 3.489 1.00 0.00 N ATOM 516 CA PRO A 35 -0.265 -9.762 2.508 1.00 0.00 C ATOM 517 C PRO A 35 0.616 -8.520 2.438 1.00 0.00 C ATOM 518 O PRO A 35 1.743 -8.573 1.945 1.00 0.00 O ATOM 519 CB PRO A 35 -1.010 -9.965 1.186 1.00 0.00 C ATOM 520 CG PRO A 35 -2.322 -10.554 1.577 1.00 0.00 C ATOM 521 CD PRO A 35 -2.652 -10.024 2.938 1.00 0.00 C ATOM 0 HA PRO A 35 0.413 -10.577 2.760 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.142 -9.021 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.460 -10.630 0.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.096 -10.282 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.267 -11.643 1.590 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.338 -9.179 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.131 -10.783 3.557 1.00 0.00 H new ATOM 529 N PHE A 36 0.096 -7.402 2.934 1.00 0.00 N ATOM 530 CA PHE A 36 0.836 -6.146 2.927 1.00 0.00 C ATOM 531 C PHE A 36 1.368 -5.820 4.320 1.00 0.00 C ATOM 532 O PHE A 36 2.356 -5.099 4.466 1.00 0.00 O ATOM 533 CB PHE A 36 -0.056 -5.006 2.431 1.00 0.00 C ATOM 534 CG PHE A 36 -0.660 -5.263 1.080 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.827 -6.001 0.956 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.062 -4.767 -0.067 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.384 -6.239 -0.286 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.615 -5.001 -1.312 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.778 -5.738 -1.421 1.00 0.00 C ATOM 0 H PHE A 36 -0.835 -7.341 3.346 1.00 0.00 H new ATOM 0 HA PHE A 36 1.683 -6.257 2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.856 -4.841 3.153 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.530 -4.088 2.390 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.306 -6.394 1.840 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.848 -4.190 0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.293 -6.817 -0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.138 -4.608 -2.198 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.213 -5.922 -2.392 1.00 0.00 H new ATOM 549 N TYR A 37 0.707 -6.356 5.339 1.00 0.00 N ATOM 550 CA TYR A 37 1.110 -6.121 6.721 1.00 0.00 C ATOM 551 C TYR A 37 2.625 -6.223 6.870 1.00 0.00 C ATOM 552 O TYR A 37 3.271 -5.320 7.403 1.00 0.00 O ATOM 553 CB TYR A 37 0.426 -7.123 7.652 1.00 0.00 C ATOM 554 CG TYR A 37 -0.902 -6.641 8.190 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.813 -5.992 7.365 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.246 -6.833 9.522 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.028 -5.549 7.852 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.458 -6.395 10.017 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.346 -5.753 9.179 1.00 0.00 C ATOM 560 OH TYR A 37 -4.554 -5.313 9.669 1.00 0.00 O ATOM 0 H TYR A 37 -0.111 -6.957 5.235 1.00 0.00 H new ATOM 0 HA TYR A 37 0.802 -5.112 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.273 -8.059 7.115 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.090 -7.341 8.489 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.567 -5.831 6.326 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.553 -7.334 10.182 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.725 -5.046 7.198 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -2.710 -6.554 11.055 1.00 0.00 H new ATOM 0 HH TYR A 37 -4.622 -5.536 10.621 1.00 0.00 H new ATOM 570 N LYS A 38 3.187 -7.330 6.396 1.00 0.00 N ATOM 571 CA LYS A 38 4.626 -7.552 6.474 1.00 0.00 C ATOM 572 C LYS A 38 5.303 -7.202 5.153 1.00 0.00 C ATOM 573 O LYS A 38 4.760 -7.428 4.071 1.00 0.00 O ATOM 574 CB LYS A 38 4.919 -9.009 6.839 1.00 0.00 C ATOM 575 CG LYS A 38 4.584 -9.993 5.731 1.00 0.00 C ATOM 576 CD LYS A 38 4.854 -11.426 6.158 1.00 0.00 C ATOM 577 CE LYS A 38 4.791 -12.380 4.975 1.00 0.00 C ATOM 578 NZ LYS A 38 4.642 -13.796 5.413 1.00 0.00 N ATOM 0 H LYS A 38 2.667 -8.088 5.953 1.00 0.00 H new ATOM 0 HA LYS A 38 5.027 -6.901 7.251 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.975 -9.106 7.093 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.351 -9.272 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.535 -9.887 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.174 -9.759 4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.837 -11.489 6.626 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.124 -11.727 6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.953 -12.108 4.333 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.697 -12.278 4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.603 -14.415 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.454 -14.064 6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.765 -13.899 5.962 1.00 0.00 H new ATOM 592 N PRO A 39 6.517 -6.638 5.240 1.00 0.00 N ATOM 593 CA PRO A 39 7.295 -6.248 4.060 1.00 0.00 C ATOM 594 C PRO A 39 7.802 -7.452 3.275 1.00 0.00 C ATOM 595 O PRO A 39 8.051 -8.516 3.843 1.00 0.00 O ATOM 596 CB PRO A 39 8.467 -5.463 4.653 1.00 0.00 C ATOM 597 CG PRO A 39 8.613 -5.988 6.039 1.00 0.00 C ATOM 598 CD PRO A 39 7.224 -6.340 6.496 1.00 0.00 C ATOM 0 HA PRO A 39 6.698 -5.677 3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.378 -5.615 4.074 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.265 -4.392 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.264 -6.862 6.059 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.062 -5.241 6.694 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.228 -7.198 7.168 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.757 -5.515 7.034 1.00 0.00 H new ATOM 606 N VAL A 40 7.955 -7.278 1.966 1.00 0.00 N ATOM 607 CA VAL A 40 8.435 -8.351 1.103 1.00 0.00 C ATOM 608 C VAL A 40 9.909 -8.644 1.359 1.00 0.00 C ATOM 609 O VAL A 40 10.787 -7.933 0.870 1.00 0.00 O ATOM 610 CB VAL A 40 8.242 -8.003 -0.385 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.984 -6.722 -0.734 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.705 -9.155 -1.265 1.00 0.00 C ATOM 0 H VAL A 40 7.753 -6.404 1.480 1.00 0.00 H new ATOM 0 HA VAL A 40 7.845 -9.236 1.340 1.00 0.00 H new ATOM 0 HB VAL A 40 7.180 -7.840 -0.568 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.836 -6.492 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.600 -5.902 -0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 40 10.048 -6.853 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.562 -8.893 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.761 -9.351 -1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.124 -10.047 -1.032 1.00 0.00 H new ATOM 622 N ASP A 41 10.173 -9.695 2.126 1.00 0.00 N ATOM 623 CA ASP A 41 11.542 -10.084 2.446 1.00 0.00 C ATOM 624 C ASP A 41 12.061 -11.116 1.449 1.00 0.00 C ATOM 625 O ASP A 41 11.919 -12.320 1.657 1.00 0.00 O ATOM 626 CB ASP A 41 11.616 -10.647 3.866 1.00 0.00 C ATOM 627 CG ASP A 41 13.044 -10.815 4.348 1.00 0.00 C ATOM 628 OD1 ASP A 41 13.945 -10.955 3.496 1.00 0.00 O ATOM 629 OD2 ASP A 41 13.260 -10.806 5.579 1.00 0.00 O ATOM 0 H ASP A 41 9.457 -10.294 2.538 1.00 0.00 H new ATOM 0 HA ASP A 41 12.170 -9.196 2.382 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.082 -9.983 4.545 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.109 -11.611 3.898 1.00 0.00 H new ATOM 634 N ALA A 42 12.661 -10.634 0.366 1.00 0.00 N ATOM 635 CA ALA A 42 13.202 -11.514 -0.663 1.00 0.00 C ATOM 636 C ALA A 42 14.104 -12.582 -0.054 1.00 0.00 C ATOM 637 O ALA A 42 14.130 -13.722 -0.515 1.00 0.00 O ATOM 638 CB ALA A 42 13.965 -10.705 -1.702 1.00 0.00 C ATOM 0 H ALA A 42 12.785 -9.639 0.178 1.00 0.00 H new ATOM 0 HA ALA A 42 12.367 -12.017 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.363 -11.375 -2.464 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.293 -9.985 -2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.786 -10.175 -1.219 1.00 0.00 H new ATOM 751 N TYR A 50 12.737 -10.613 -6.812 1.00 0.00 N ATOM 752 CA TYR A 50 11.565 -9.777 -6.578 1.00 0.00 C ATOM 753 C TYR A 50 11.867 -8.315 -6.892 1.00 0.00 C ATOM 754 O TYR A 50 11.150 -7.672 -7.660 1.00 0.00 O ATOM 755 CB TYR A 50 11.097 -9.913 -5.128 1.00 0.00 C ATOM 756 CG TYR A 50 10.098 -8.857 -4.713 1.00 0.00 C ATOM 757 CD1 TYR A 50 10.520 -7.623 -4.235 1.00 0.00 C ATOM 758 CD2 TYR A 50 8.731 -9.094 -4.800 1.00 0.00 C ATOM 759 CE1 TYR A 50 9.610 -6.656 -3.854 1.00 0.00 C ATOM 760 CE2 TYR A 50 7.814 -8.131 -4.422 1.00 0.00 C ATOM 761 CZ TYR A 50 8.259 -6.914 -3.949 1.00 0.00 C ATOM 762 OH TYR A 50 7.350 -5.953 -3.572 1.00 0.00 O ATOM 0 HA TYR A 50 10.770 -10.116 -7.243 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.651 -10.898 -4.990 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.964 -9.861 -4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.577 -7.416 -4.160 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.380 -10.046 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.955 -5.702 -3.483 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.755 -8.330 -4.497 1.00 0.00 H new ATOM 0 HH TYR A 50 6.441 -6.294 -3.702 1.00 0.00 H new ATOM 772 N HIS A 51 12.933 -7.796 -6.292 1.00 0.00 N ATOM 773 CA HIS A 51 13.332 -6.410 -6.508 1.00 0.00 C ATOM 774 C HIS A 51 13.494 -6.116 -7.996 1.00 0.00 C ATOM 775 O HIS A 51 12.918 -5.160 -8.516 1.00 0.00 O ATOM 776 CB HIS A 51 14.640 -6.113 -5.772 1.00 0.00 C ATOM 777 CG HIS A 51 14.477 -5.983 -4.289 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.563 -5.133 -3.704 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.117 -6.604 -3.271 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.648 -5.234 -2.390 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.584 -6.121 -2.101 1.00 0.00 N ATOM 0 H HIS A 51 13.536 -8.314 -5.653 1.00 0.00 H new ATOM 0 HA HIS A 51 12.546 -5.766 -6.112 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.354 -6.909 -5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.067 -5.190 -6.165 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.901 -7.342 -3.362 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.054 -4.685 -1.674 1.00 0.00 H new ATOM 0 HE2 HIS A 51 14.865 -6.401 -1.161 1.00 0.00 H new ATOM 789 N ASP A 52 14.281 -6.943 -8.675 1.00 0.00 N ATOM 790 CA ASP A 52 14.518 -6.772 -10.104 1.00 0.00 C ATOM 791 C ASP A 52 13.259 -6.277 -10.808 1.00 0.00 C ATOM 792 O ASP A 52 13.284 -5.260 -11.502 1.00 0.00 O ATOM 793 CB ASP A 52 14.981 -8.090 -10.727 1.00 0.00 C ATOM 794 CG ASP A 52 16.280 -8.590 -10.126 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.542 -8.285 -8.944 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.034 -9.286 -10.838 1.00 0.00 O ATOM 0 H ASP A 52 14.766 -7.738 -8.259 1.00 0.00 H new ATOM 0 HA ASP A 52 15.301 -6.024 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.207 -8.845 -10.590 1.00 0.00 H new ATOM 0 HB3 ASP A 52 15.109 -7.956 -11.801 1.00 0.00 H new ATOM 801 N ILE A 53 12.161 -7.002 -10.626 1.00 0.00 N ATOM 802 CA ILE A 53 10.893 -6.636 -11.244 1.00 0.00 C ATOM 803 C ILE A 53 10.308 -5.384 -10.599 1.00 0.00 C ATOM 804 O ILE A 53 9.990 -4.411 -11.284 1.00 0.00 O ATOM 805 CB ILE A 53 9.866 -7.779 -11.143 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.326 -8.982 -11.970 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.497 -7.304 -11.606 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.852 -10.309 -11.422 1.00 0.00 C ATOM 0 H ILE A 53 12.124 -7.847 -10.055 1.00 0.00 H new ATOM 0 HA ILE A 53 11.101 -6.437 -12.295 1.00 0.00 H new ATOM 0 HB ILE A 53 9.789 -8.087 -10.100 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.964 -8.870 -12.992 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.415 -8.986 -12.017 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.782 -8.123 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.168 -6.475 -10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.558 -6.973 -12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.215 -11.116 -12.058 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.236 -10.443 -10.411 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.762 -10.326 -11.401 1.00 0.00 H new ATOM 820 N ILE A 54 10.171 -5.415 -9.278 1.00 0.00 N ATOM 821 CA ILE A 54 9.627 -4.282 -8.539 1.00 0.00 C ATOM 822 C ILE A 54 10.705 -3.241 -8.258 1.00 0.00 C ATOM 823 O ILE A 54 11.603 -3.464 -7.445 1.00 0.00 O ATOM 824 CB ILE A 54 9.000 -4.728 -7.206 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.901 -5.764 -7.455 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.443 -3.528 -6.455 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.931 -5.365 -8.544 1.00 0.00 C ATOM 0 H ILE A 54 10.429 -6.213 -8.697 1.00 0.00 H new ATOM 0 HA ILE A 54 8.852 -3.840 -9.165 1.00 0.00 H new ATOM 0 HB ILE A 54 9.775 -5.188 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.363 -6.715 -7.721 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.349 -5.926 -6.529 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.003 -3.860 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.247 -2.822 -6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.679 -3.042 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 54 6.180 -6.145 -8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.442 -4.430 -8.271 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.471 -5.231 -9.481 1.00 0.00 H new ATOM 839 N LYS A 55 10.610 -2.101 -8.935 1.00 0.00 N ATOM 840 CA LYS A 55 11.575 -1.023 -8.757 1.00 0.00 C ATOM 841 C LYS A 55 11.412 -0.367 -7.389 1.00 0.00 C ATOM 842 O LYS A 55 12.349 -0.331 -6.591 1.00 0.00 O ATOM 843 CB LYS A 55 11.408 0.025 -9.860 1.00 0.00 C ATOM 844 CG LYS A 55 11.862 -0.454 -11.228 1.00 0.00 C ATOM 845 CD LYS A 55 13.331 -0.148 -11.467 1.00 0.00 C ATOM 846 CE LYS A 55 14.227 -1.241 -10.904 1.00 0.00 C ATOM 847 NZ LYS A 55 15.562 -1.259 -11.564 1.00 0.00 N ATOM 0 H LYS A 55 9.874 -1.900 -9.612 1.00 0.00 H new ATOM 0 HA LYS A 55 12.576 -1.451 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.359 0.317 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 55 11.973 0.917 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.695 -1.528 -11.312 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.260 0.024 -12.000 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.512 -0.042 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.585 0.806 -11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.354 -1.090 -9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.744 -2.209 -11.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 16.143 -2.017 -11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 15.443 -1.428 -12.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.034 -0.344 -11.418 1.00 0.00 H new ATOM 861 N HIS A 56 10.216 0.149 -7.124 1.00 0.00 N ATOM 862 CA HIS A 56 9.930 0.802 -5.851 1.00 0.00 C ATOM 863 C HIS A 56 8.735 0.149 -5.163 1.00 0.00 C ATOM 864 O HIS A 56 7.579 0.483 -5.423 1.00 0.00 O ATOM 865 CB HIS A 56 9.658 2.291 -6.067 1.00 0.00 C ATOM 866 CG HIS A 56 8.999 2.595 -7.377 1.00 0.00 C ATOM 867 ND1 HIS A 56 9.205 3.771 -8.068 1.00 0.00 N ATOM 868 CD2 HIS A 56 8.134 1.869 -8.123 1.00 0.00 C ATOM 869 CE1 HIS A 56 8.495 3.755 -9.182 1.00 0.00 C ATOM 870 NE2 HIS A 56 7.836 2.611 -9.239 1.00 0.00 N ATOM 0 H HIS A 56 9.430 0.128 -7.773 1.00 0.00 H new ATOM 0 HA HIS A 56 10.803 0.690 -5.209 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.026 2.658 -5.258 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.600 2.836 -6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 56 7.750 0.888 -7.885 1.00 0.00 H new ATOM 0 HE1 HIS A 56 8.459 4.543 -9.920 1.00 0.00 H new ATOM 0 HE2 HIS A 56 7.208 2.326 -9.990 1.00 0.00 H new ATOM 878 N PRO A 57 9.019 -0.805 -4.263 1.00 0.00 N ATOM 879 CA PRO A 57 7.981 -1.525 -3.519 1.00 0.00 C ATOM 880 C PRO A 57 7.276 -0.636 -2.500 1.00 0.00 C ATOM 881 O PRO A 57 7.577 0.552 -2.386 1.00 0.00 O ATOM 882 CB PRO A 57 8.759 -2.637 -2.811 1.00 0.00 C ATOM 883 CG PRO A 57 10.146 -2.109 -2.687 1.00 0.00 C ATOM 884 CD PRO A 57 10.374 -1.254 -3.903 1.00 0.00 C ATOM 0 HA PRO A 57 7.189 -1.890 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.331 -2.859 -1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.738 -3.563 -3.386 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.261 -1.526 -1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.870 -2.922 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.032 -0.412 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.838 -1.820 -4.711 1.00 0.00 H new ATOM 892 N MET A 58 6.338 -1.219 -1.761 1.00 0.00 N ATOM 893 CA MET A 58 5.592 -0.478 -0.750 1.00 0.00 C ATOM 894 C MET A 58 4.783 -1.426 0.130 1.00 0.00 C ATOM 895 O MET A 58 4.527 -2.570 -0.245 1.00 0.00 O ATOM 896 CB MET A 58 4.662 0.539 -1.415 1.00 0.00 C ATOM 897 CG MET A 58 3.871 1.377 -0.423 1.00 0.00 C ATOM 898 SD MET A 58 4.930 2.364 0.652 1.00 0.00 S ATOM 899 CE MET A 58 5.305 3.748 -0.421 1.00 0.00 C ATOM 0 H MET A 58 6.076 -2.201 -1.843 1.00 0.00 H new ATOM 0 HA MET A 58 6.307 0.052 -0.121 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.253 1.201 -2.047 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.967 0.011 -2.068 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.196 2.037 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.251 0.721 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.688 4.577 0.174 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.056 3.449 -1.152 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.399 4.062 -0.940 1.00 0.00 H new ATOM 909 N ASP A 59 4.384 -0.941 1.301 1.00 0.00 N ATOM 910 CA ASP A 59 3.603 -1.745 2.234 1.00 0.00 C ATOM 911 C ASP A 59 2.793 -0.855 3.172 1.00 0.00 C ATOM 912 O ASP A 59 2.952 0.367 3.177 1.00 0.00 O ATOM 913 CB ASP A 59 4.522 -2.659 3.046 1.00 0.00 C ATOM 914 CG ASP A 59 5.895 -2.055 3.263 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.023 -1.174 4.139 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.841 -2.462 2.557 1.00 0.00 O ATOM 0 H ASP A 59 4.588 0.004 1.626 1.00 0.00 H new ATOM 0 HA ASP A 59 2.911 -2.358 1.656 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.062 -2.865 4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.626 -3.614 2.532 1.00 0.00 H new ATOM 921 N LEU A 60 1.923 -1.474 3.963 1.00 0.00 N ATOM 922 CA LEU A 60 1.087 -0.738 4.905 1.00 0.00 C ATOM 923 C LEU A 60 1.929 -0.135 6.024 1.00 0.00 C ATOM 924 O LEU A 60 1.783 1.041 6.360 1.00 0.00 O ATOM 925 CB LEU A 60 0.017 -1.659 5.495 1.00 0.00 C ATOM 926 CG LEU A 60 -1.156 -2.000 4.576 1.00 0.00 C ATOM 927 CD1 LEU A 60 -1.999 -3.114 5.177 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.007 -0.765 4.317 1.00 0.00 C ATOM 0 H LEU A 60 1.778 -2.484 3.971 1.00 0.00 H new ATOM 0 HA LEU A 60 0.601 0.074 4.364 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.495 -2.589 5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.378 -1.192 6.397 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.757 -2.348 3.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.829 -3.343 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.384 -4.004 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.389 -2.794 6.143 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.837 -1.026 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.396 -0.387 5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.397 0.004 3.842 1.00 0.00 H new ATOM 940 N SER A 61 2.811 -0.947 6.598 1.00 0.00 N ATOM 941 CA SER A 61 3.676 -0.493 7.681 1.00 0.00 C ATOM 942 C SER A 61 4.323 0.844 7.335 1.00 0.00 C ATOM 943 O SER A 61 4.504 1.703 8.200 1.00 0.00 O ATOM 944 CB SER A 61 4.757 -1.537 7.969 1.00 0.00 C ATOM 945 OG SER A 61 4.316 -2.473 8.937 1.00 0.00 O ATOM 0 H SER A 61 2.945 -1.922 6.331 1.00 0.00 H new ATOM 0 HA SER A 61 3.063 -0.360 8.572 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.019 -2.058 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.661 -1.041 8.323 1.00 0.00 H new ATOM 0 HG SER A 61 5.024 -3.130 9.102 1.00 0.00 H new ATOM 951 N THR A 62 4.672 1.015 6.064 1.00 0.00 N ATOM 952 CA THR A 62 5.301 2.246 5.603 1.00 0.00 C ATOM 953 C THR A 62 4.308 3.403 5.600 1.00 0.00 C ATOM 954 O THR A 62 4.584 4.473 6.144 1.00 0.00 O ATOM 955 CB THR A 62 5.885 2.083 4.186 1.00 0.00 C ATOM 956 OG1 THR A 62 6.930 1.104 4.197 1.00 0.00 O ATOM 957 CG2 THR A 62 6.427 3.406 3.668 1.00 0.00 C ATOM 0 H THR A 62 4.529 0.316 5.335 1.00 0.00 H new ATOM 0 HA THR A 62 6.111 2.466 6.299 1.00 0.00 H new ATOM 0 HB THR A 62 5.085 1.753 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.633 0.303 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.834 3.265 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.622 4.140 3.633 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.214 3.762 4.333 1.00 0.00 H new ATOM 965 N VAL A 63 3.151 3.182 4.985 1.00 0.00 N ATOM 966 CA VAL A 63 2.115 4.206 4.914 1.00 0.00 C ATOM 967 C VAL A 63 1.777 4.743 6.300 1.00 0.00 C ATOM 968 O VAL A 63 1.877 5.944 6.555 1.00 0.00 O ATOM 969 CB VAL A 63 0.832 3.662 4.259 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.230 4.749 4.180 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.136 3.101 2.878 1.00 0.00 C ATOM 0 H VAL A 63 2.907 2.303 4.529 1.00 0.00 H new ATOM 0 HA VAL A 63 2.512 5.015 4.301 1.00 0.00 H new ATOM 0 HB VAL A 63 0.444 2.853 4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.129 4.346 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.467 5.099 5.184 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.145 5.581 3.585 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.218 2.721 2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.548 3.889 2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.860 2.291 2.966 1.00 0.00 H new ATOM 981 N LYS A 64 1.376 3.846 7.195 1.00 0.00 N ATOM 982 CA LYS A 64 1.024 4.227 8.557 1.00 0.00 C ATOM 983 C LYS A 64 2.121 5.082 9.183 1.00 0.00 C ATOM 984 O LYS A 64 1.847 6.134 9.762 1.00 0.00 O ATOM 985 CB LYS A 64 0.784 2.981 9.412 1.00 0.00 C ATOM 986 CG LYS A 64 0.464 3.291 10.864 1.00 0.00 C ATOM 987 CD LYS A 64 -0.190 2.107 11.556 1.00 0.00 C ATOM 988 CE LYS A 64 0.842 1.084 12.005 1.00 0.00 C ATOM 989 NZ LYS A 64 0.244 0.042 12.885 1.00 0.00 N ATOM 0 H LYS A 64 1.287 2.849 7.001 1.00 0.00 H new ATOM 0 HA LYS A 64 0.107 4.815 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.038 2.409 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.670 2.347 9.371 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.380 3.560 11.390 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.199 4.155 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.757 2.456 12.419 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.901 1.635 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.287 0.609 11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.647 1.590 12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.979 -0.636 13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.158 0.492 13.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.507 -0.459 12.369 1.00 0.00 H new ATOM 1003 N ARG A 65 3.363 4.625 9.063 1.00 0.00 N ATOM 1004 CA ARG A 65 4.501 5.349 9.618 1.00 0.00 C ATOM 1005 C ARG A 65 4.581 6.759 9.042 1.00 0.00 C ATOM 1006 O ARG A 65 4.866 7.719 9.758 1.00 0.00 O ATOM 1007 CB ARG A 65 5.801 4.595 9.331 1.00 0.00 C ATOM 1008 CG ARG A 65 5.965 3.328 10.154 1.00 0.00 C ATOM 1009 CD ARG A 65 6.233 3.645 11.617 1.00 0.00 C ATOM 1010 NE ARG A 65 6.130 2.459 12.463 1.00 0.00 N ATOM 1011 CZ ARG A 65 6.054 2.506 13.788 1.00 0.00 C ATOM 1012 NH1 ARG A 65 6.070 3.673 14.416 1.00 0.00 N ATOM 1013 NH2 ARG A 65 5.962 1.382 14.488 1.00 0.00 N ATOM 0 H ARG A 65 3.607 3.757 8.587 1.00 0.00 H new ATOM 0 HA ARG A 65 4.362 5.423 10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.835 4.337 8.272 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.645 5.256 9.526 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.064 2.720 10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.787 2.736 9.752 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.229 4.076 11.718 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.523 4.398 11.960 1.00 0.00 H new ATOM 0 HE ARG A 65 6.116 1.545 12.011 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.141 4.539 13.882 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.011 3.705 15.434 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.950 0.482 14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.904 1.418 15.506 1.00 0.00 H new ATOM 1027 N LYS A 66 4.327 6.878 7.743 1.00 0.00 N ATOM 1028 CA LYS A 66 4.369 8.170 7.069 1.00 0.00 C ATOM 1029 C LYS A 66 3.219 9.061 7.528 1.00 0.00 C ATOM 1030 O LYS A 66 3.439 10.146 8.065 1.00 0.00 O ATOM 1031 CB LYS A 66 4.307 7.980 5.552 1.00 0.00 C ATOM 1032 CG LYS A 66 5.636 7.582 4.933 1.00 0.00 C ATOM 1033 CD LYS A 66 5.498 7.304 3.446 1.00 0.00 C ATOM 1034 CE LYS A 66 6.782 7.624 2.697 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.588 7.588 1.221 1.00 0.00 N ATOM 0 H LYS A 66 4.090 6.094 7.135 1.00 0.00 H new ATOM 0 HA LYS A 66 5.309 8.657 7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.565 7.216 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.965 8.907 5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.364 8.378 5.089 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.021 6.695 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.238 6.257 3.293 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.680 7.898 3.038 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.138 8.611 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.555 6.909 2.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.264 6.920 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.618 7.282 1.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.747 8.537 0.827 1.00 0.00 H new ATOM 1049 N MET A 67 1.993 8.594 7.314 1.00 0.00 N ATOM 1050 CA MET A 67 0.809 9.347 7.709 1.00 0.00 C ATOM 1051 C MET A 67 0.905 9.786 9.167 1.00 0.00 C ATOM 1052 O MET A 67 0.603 10.932 9.502 1.00 0.00 O ATOM 1053 CB MET A 67 -0.451 8.505 7.500 1.00 0.00 C ATOM 1054 CG MET A 67 -1.695 9.105 8.134 1.00 0.00 C ATOM 1055 SD MET A 67 -1.926 10.841 7.706 1.00 0.00 S ATOM 1056 CE MET A 67 -2.580 10.696 6.045 1.00 0.00 C ATOM 0 H MET A 67 1.794 7.698 6.869 1.00 0.00 H new ATOM 0 HA MET A 67 0.750 10.237 7.083 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.622 8.381 6.431 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.286 7.510 7.914 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.570 8.537 7.816 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.628 9.008 9.218 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.374 11.429 5.901 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.784 10.877 5.323 1.00 0.00 H new ATOM 0 HE3 MET A 67 -2.981 9.693 5.898 1.00 0.00 H new ATOM 1066 N ASP A 68 1.327 8.868 10.030 1.00 0.00 N ATOM 1067 CA ASP A 68 1.463 9.161 11.452 1.00 0.00 C ATOM 1068 C ASP A 68 2.575 10.177 11.694 1.00 0.00 C ATOM 1069 O ASP A 68 2.500 10.987 12.617 1.00 0.00 O ATOM 1070 CB ASP A 68 1.750 7.878 12.233 1.00 0.00 C ATOM 1071 CG ASP A 68 1.808 8.112 13.730 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.738 8.104 14.374 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.924 8.302 14.257 1.00 0.00 O ATOM 0 H ASP A 68 1.581 7.915 9.770 1.00 0.00 H new ATOM 0 HA ASP A 68 0.523 9.588 11.801 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.977 7.142 12.013 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.697 7.456 11.897 1.00 0.00 H new ATOM 1078 N GLY A 69 3.607 10.128 10.857 1.00 0.00 N ATOM 1079 CA GLY A 69 4.720 11.049 10.997 1.00 0.00 C ATOM 1080 C GLY A 69 4.543 12.304 10.165 1.00 0.00 C ATOM 1081 O GLY A 69 5.517 12.871 9.670 1.00 0.00 O ATOM 0 H GLY A 69 3.692 9.467 10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.830 11.325 12.046 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.642 10.548 10.701 1.00 0.00 H new ATOM 1085 N ARG A 70 3.296 12.737 10.009 1.00 0.00 N ATOM 1086 CA ARG A 70 2.994 13.931 9.229 1.00 0.00 C ATOM 1087 C ARG A 70 3.960 14.073 8.056 1.00 0.00 C ATOM 1088 O ARG A 70 4.511 15.148 7.821 1.00 0.00 O ATOM 1089 CB ARG A 70 3.065 15.177 10.115 1.00 0.00 C ATOM 1090 CG ARG A 70 2.405 14.997 11.472 1.00 0.00 C ATOM 1091 CD ARG A 70 0.917 15.303 11.414 1.00 0.00 C ATOM 1092 NE ARG A 70 0.371 15.623 12.730 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.722 16.355 12.915 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -1.383 16.839 11.873 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.156 16.602 14.144 1.00 0.00 N ATOM 0 H ARG A 70 2.479 12.279 10.412 1.00 0.00 H new ATOM 0 HA ARG A 70 1.983 13.830 8.835 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.110 15.449 10.262 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.589 16.009 9.596 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.554 13.974 11.817 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.884 15.652 12.200 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.745 16.140 10.737 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.387 14.445 11.001 1.00 0.00 H new ATOM 0 HE ARG A 70 0.856 15.265 13.553 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.053 16.650 10.927 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.222 17.401 12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.650 16.230 14.948 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.995 17.164 14.285 1.00 0.00 H new ATOM 1109 N GLU A 71 4.160 12.981 7.326 1.00 0.00 N ATOM 1110 CA GLU A 71 5.061 12.984 6.179 1.00 0.00 C ATOM 1111 C GLU A 71 4.302 13.294 4.892 1.00 0.00 C ATOM 1112 O GLU A 71 4.844 13.905 3.971 1.00 0.00 O ATOM 1113 CB GLU A 71 5.768 11.632 6.054 1.00 0.00 C ATOM 1114 CG GLU A 71 6.538 11.231 7.300 1.00 0.00 C ATOM 1115 CD GLU A 71 7.696 10.300 6.995 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.492 10.620 6.088 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.806 9.252 7.665 1.00 0.00 O ATOM 0 H GLU A 71 3.711 12.083 7.508 1.00 0.00 H new ATOM 0 HA GLU A 71 5.807 13.763 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.028 10.864 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.455 11.667 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.917 12.127 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.860 10.744 8.001 1.00 0.00 H new ATOM 1124 N TYR A 72 3.045 12.869 4.836 1.00 0.00 N ATOM 1125 CA TYR A 72 2.211 13.098 3.662 1.00 0.00 C ATOM 1126 C TYR A 72 1.830 14.571 3.544 1.00 0.00 C ATOM 1127 O TYR A 72 1.224 15.156 4.441 1.00 0.00 O ATOM 1128 CB TYR A 72 0.949 12.238 3.731 1.00 0.00 C ATOM 1129 CG TYR A 72 1.205 10.767 3.487 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.031 10.348 2.452 1.00 0.00 C ATOM 1131 CD2 TYR A 72 0.619 9.797 4.291 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.268 9.006 2.225 1.00 0.00 C ATOM 1133 CE2 TYR A 72 0.850 8.453 4.073 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.675 8.063 3.038 1.00 0.00 C ATOM 1135 OH TYR A 72 1.907 6.725 2.817 1.00 0.00 O ATOM 0 H TYR A 72 2.581 12.364 5.591 1.00 0.00 H new ATOM 0 HA TYR A 72 2.786 12.817 2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.489 12.361 4.712 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.232 12.600 2.995 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.496 11.084 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.029 10.099 5.101 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.914 8.697 1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.388 7.712 4.708 1.00 0.00 H new ATOM 0 HH TYR A 72 2.780 6.611 2.386 1.00 0.00 H new ATOM 1145 N PRO A 73 2.194 15.186 2.409 1.00 0.00 N ATOM 1146 CA PRO A 73 1.901 16.597 2.143 1.00 0.00 C ATOM 1147 C PRO A 73 0.413 16.848 1.918 1.00 0.00 C ATOM 1148 O PRO A 73 -0.131 17.857 2.365 1.00 0.00 O ATOM 1149 CB PRO A 73 2.692 16.890 0.866 1.00 0.00 C ATOM 1150 CG PRO A 73 2.828 15.568 0.193 1.00 0.00 C ATOM 1151 CD PRO A 73 2.920 14.550 1.296 1.00 0.00 C ATOM 0 HA PRO A 73 2.173 17.235 2.984 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.169 17.605 0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.667 17.320 1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.972 15.368 -0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.716 15.541 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.464 13.603 1.008 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.956 14.337 1.561 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.238 15.923 1.222 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.664 16.043 0.938 1.00 0.00 C ATOM 1161 C ASP A 74 -2.266 14.683 0.597 1.00 0.00 C ATOM 1162 O ASP A 74 -1.545 13.729 0.309 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.896 17.021 -0.214 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.882 16.853 -1.329 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.530 15.696 -1.643 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.440 17.879 -1.888 1.00 0.00 O ATOM 0 H ASP A 74 0.198 15.082 0.844 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.157 16.425 1.832 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.899 16.875 -0.614 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.849 18.042 0.165 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.592 14.604 0.633 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.292 13.362 0.327 1.00 0.00 C ATOM 1173 C ALA A 75 -3.609 12.614 -0.814 1.00 0.00 C ATOM 1174 O ALA A 75 -3.476 11.392 -0.774 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.745 13.647 -0.021 1.00 0.00 C ATOM 0 H ALA A 75 -4.203 15.385 0.871 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.260 12.728 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.255 12.711 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.233 14.131 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.789 14.303 -0.890 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.180 13.357 -1.829 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.513 12.763 -2.981 1.00 0.00 C ATOM 1183 C GLN A 76 -1.314 11.927 -2.545 1.00 0.00 C ATOM 1184 O GLN A 76 -1.114 10.812 -3.025 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.062 13.854 -3.954 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.198 14.733 -4.453 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.309 13.935 -5.105 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.204 13.536 -6.265 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.383 13.697 -4.361 1.00 0.00 N ATOM 0 H GLN A 76 -3.282 14.371 -1.877 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.225 12.109 -3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.317 14.481 -3.464 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.573 13.387 -4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.606 15.302 -3.618 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.806 15.455 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.428 14.047 -3.404 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.163 13.165 -4.747 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.518 12.474 -1.631 1.00 0.00 N ATOM 1199 CA GLY A 77 0.651 11.765 -1.145 1.00 0.00 C ATOM 1200 C GLY A 77 0.299 10.439 -0.500 1.00 0.00 C ATOM 1201 O GLY A 77 0.919 9.416 -0.789 1.00 0.00 O ATOM 0 H GLY A 77 -0.662 13.396 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.337 11.591 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.176 12.389 -0.422 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.699 10.457 0.378 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.131 9.247 1.068 1.00 0.00 C ATOM 1207 C PHE A 78 -1.625 8.200 0.074 1.00 0.00 C ATOM 1208 O PHE A 78 -1.097 7.091 0.012 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.238 9.576 2.072 1.00 0.00 C ATOM 1210 CG PHE A 78 -3.007 8.370 2.532 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.563 7.618 3.608 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.174 7.990 1.890 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.268 6.508 4.032 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.884 6.881 2.310 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.431 6.139 3.384 1.00 0.00 C ATOM 0 H PHE A 78 -1.223 11.295 0.628 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.274 8.838 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.797 10.068 2.939 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.929 10.287 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.656 7.903 4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.534 8.567 1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.910 5.929 4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.792 6.595 1.799 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.985 5.273 3.716 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.642 8.563 -0.701 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.206 7.656 -1.694 1.00 0.00 C ATOM 1227 C ALA A 79 -2.130 7.143 -2.644 1.00 0.00 C ATOM 1228 O ALA A 79 -2.089 5.956 -2.968 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.313 8.350 -2.473 1.00 0.00 C ATOM 0 H ALA A 79 -3.092 9.478 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.628 6.799 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.725 7.662 -3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.101 8.661 -1.787 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.907 9.225 -2.980 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.260 8.044 -3.087 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.182 7.682 -4.000 1.00 0.00 C ATOM 1237 C ALA A 80 0.507 6.397 -3.552 1.00 0.00 C ATOM 1238 O ALA A 80 0.738 5.493 -4.355 1.00 0.00 O ATOM 1239 CB ALA A 80 0.827 8.816 -4.102 1.00 0.00 C ATOM 0 H ALA A 80 -1.280 9.031 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.616 7.507 -4.985 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.626 8.532 -4.787 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.331 9.712 -4.475 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.248 9.018 -3.117 1.00 0.00 H new ATOM 1245 N ASP A 81 0.835 6.324 -2.267 1.00 0.00 N ATOM 1246 CA ASP A 81 1.498 5.150 -1.712 1.00 0.00 C ATOM 1247 C ASP A 81 0.594 3.924 -1.798 1.00 0.00 C ATOM 1248 O ASP A 81 0.916 2.948 -2.475 1.00 0.00 O ATOM 1249 CB ASP A 81 1.898 5.403 -0.258 1.00 0.00 C ATOM 1250 CG ASP A 81 2.852 6.572 -0.115 1.00 0.00 C ATOM 1251 OD1 ASP A 81 2.902 7.413 -1.037 1.00 0.00 O ATOM 1252 OD2 ASP A 81 3.551 6.646 0.918 1.00 0.00 O ATOM 0 H ASP A 81 0.652 7.064 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 81 2.396 4.959 -2.299 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.003 5.594 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.364 4.506 0.149 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.540 3.982 -1.105 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.491 2.877 -1.103 1.00 0.00 C ATOM 1259 C VAL A 82 -1.643 2.279 -2.498 1.00 0.00 C ATOM 1260 O VAL A 82 -1.527 1.068 -2.681 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.874 3.327 -0.596 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.868 2.178 -0.663 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.770 3.871 0.821 1.00 0.00 C ATOM 0 H VAL A 82 -0.822 4.782 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.094 2.119 -0.428 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.236 4.126 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.839 2.515 -0.301 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.963 1.839 -1.695 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.515 1.355 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.756 4.184 1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.386 3.094 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.093 4.725 0.834 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.903 3.138 -3.478 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.072 2.696 -4.857 1.00 0.00 C ATOM 1275 C ARG A 83 -0.817 1.987 -5.358 1.00 0.00 C ATOM 1276 O ARG A 83 -0.891 0.894 -5.922 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.394 3.887 -5.761 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.847 4.325 -5.697 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.994 5.812 -5.981 1.00 0.00 C ATOM 1280 NE ARG A 83 -5.366 6.273 -5.788 1.00 0.00 N ATOM 1281 CZ ARG A 83 -6.343 6.057 -6.662 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -6.100 5.390 -7.782 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -7.567 6.509 -6.416 1.00 0.00 N ATOM 0 H ARG A 83 -2.001 4.144 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.903 1.991 -4.887 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.758 4.727 -5.482 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.146 3.628 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.432 3.756 -6.420 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.253 4.100 -4.711 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.327 6.374 -5.327 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.683 6.018 -7.005 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.586 6.789 -4.936 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.161 5.041 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.852 5.226 -8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.758 7.022 -5.556 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.317 6.343 -7.088 1.00 0.00 H new ATOM 1297 N LEU A 84 0.334 2.615 -5.148 1.00 0.00 N ATOM 1298 CA LEU A 84 1.606 2.046 -5.579 1.00 0.00 C ATOM 1299 C LEU A 84 1.840 0.684 -4.932 1.00 0.00 C ATOM 1300 O LEU A 84 2.519 -0.174 -5.496 1.00 0.00 O ATOM 1301 CB LEU A 84 2.756 2.992 -5.230 1.00 0.00 C ATOM 1302 CG LEU A 84 4.154 2.374 -5.217 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.627 2.090 -6.634 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.135 3.289 -4.499 1.00 0.00 C ATOM 0 H LEU A 84 0.413 3.519 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 84 1.568 1.914 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.752 3.816 -5.944 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.561 3.421 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 84 4.106 1.429 -4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.624 1.650 -6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.939 1.395 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.658 3.021 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.125 2.833 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.178 4.250 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.806 3.440 -3.471 1.00 0.00 H new ATOM 1316 N MET A 85 1.270 0.492 -3.747 1.00 0.00 N ATOM 1317 CA MET A 85 1.414 -0.767 -3.025 1.00 0.00 C ATOM 1318 C MET A 85 0.639 -1.882 -3.719 1.00 0.00 C ATOM 1319 O MET A 85 1.152 -2.986 -3.904 1.00 0.00 O ATOM 1320 CB MET A 85 0.926 -0.611 -1.583 1.00 0.00 C ATOM 1321 CG MET A 85 0.977 -1.902 -0.782 1.00 0.00 C ATOM 1322 SD MET A 85 0.250 -1.730 0.859 1.00 0.00 S ATOM 1323 CE MET A 85 -1.435 -1.292 0.438 1.00 0.00 C ATOM 0 H MET A 85 0.704 1.192 -3.266 1.00 0.00 H new ATOM 0 HA MET A 85 2.471 -1.034 -3.016 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.534 0.142 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.099 -0.239 -1.593 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.451 -2.685 -1.328 1.00 0.00 H new ATOM 0 HG3 MET A 85 2.014 -2.224 -0.684 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.097 -1.561 1.261 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.498 -0.219 0.257 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.737 -1.830 -0.461 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.600 -1.588 -4.100 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.446 -2.567 -4.772 1.00 0.00 C ATOM 1335 C PHE A 86 -0.914 -2.879 -6.168 1.00 0.00 C ATOM 1336 O PHE A 86 -1.076 -3.990 -6.671 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.883 -2.052 -4.865 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.602 -2.037 -3.546 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -3.835 -3.216 -2.856 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.045 -0.845 -2.997 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.495 -3.206 -1.642 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.706 -0.829 -1.783 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.932 -2.011 -1.105 1.00 0.00 C ATOM 0 H PHE A 86 -1.040 -0.679 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.434 -3.485 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.873 -1.042 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.439 -2.675 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.497 -4.154 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.872 0.082 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.669 -4.132 -1.114 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.046 0.107 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.449 -2.001 -0.157 1.00 0.00 H new ATOM 1353 N SER A 87 -0.279 -1.889 -6.787 1.00 0.00 N ATOM 1354 CA SER A 87 0.274 -2.055 -8.126 1.00 0.00 C ATOM 1355 C SER A 87 1.319 -3.166 -8.149 1.00 0.00 C ATOM 1356 O SER A 87 1.131 -4.196 -8.795 1.00 0.00 O ATOM 1357 CB SER A 87 0.896 -0.744 -8.610 1.00 0.00 C ATOM 1358 OG SER A 87 0.885 -0.666 -10.025 1.00 0.00 O ATOM 0 H SER A 87 -0.135 -0.964 -6.383 1.00 0.00 H new ATOM 0 HA SER A 87 -0.540 -2.332 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.346 0.099 -8.192 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.921 -0.668 -8.246 1.00 0.00 H new ATOM 0 HG SER A 87 1.286 0.182 -10.309 1.00 0.00 H new ATOM 1364 N ASN A 88 2.421 -2.948 -7.438 1.00 0.00 N ATOM 1365 CA ASN A 88 3.497 -3.930 -7.377 1.00 0.00 C ATOM 1366 C ASN A 88 2.943 -5.330 -7.133 1.00 0.00 C ATOM 1367 O ASN A 88 3.299 -6.280 -7.831 1.00 0.00 O ATOM 1368 CB ASN A 88 4.488 -3.562 -6.271 1.00 0.00 C ATOM 1369 CG ASN A 88 5.027 -2.152 -6.422 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.211 -1.663 -7.536 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.281 -1.493 -5.298 1.00 0.00 N ATOM 0 H ASN A 88 2.592 -2.101 -6.897 1.00 0.00 H new ATOM 0 HA ASN A 88 4.014 -3.926 -8.336 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.999 -3.659 -5.302 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.318 -4.268 -6.281 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.644 -0.541 -5.336 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.113 -1.939 -4.396 1.00 0.00 H new ATOM 1378 N CYS A 89 2.070 -5.450 -6.139 1.00 0.00 N ATOM 1379 CA CYS A 89 1.466 -6.734 -5.803 1.00 0.00 C ATOM 1380 C CYS A 89 1.218 -7.564 -7.058 1.00 0.00 C ATOM 1381 O CYS A 89 1.875 -8.581 -7.283 1.00 0.00 O ATOM 1382 CB CYS A 89 0.152 -6.522 -5.049 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.767 -8.045 -4.724 1.00 0.00 S ATOM 0 H CYS A 89 1.765 -4.674 -5.552 1.00 0.00 H new ATOM 0 HA CYS A 89 2.161 -7.277 -5.162 1.00 0.00 H new ATOM 0 HB2 CYS A 89 0.365 -6.030 -4.100 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.479 -5.845 -5.624 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.616 -8.253 -5.686 1.00 0.00 H new ATOM 1389 N TYR A 90 0.264 -7.125 -7.872 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.073 -7.829 -9.103 1.00 0.00 C ATOM 1391 C TYR A 90 1.061 -7.728 -10.118 1.00 0.00 C ATOM 1392 O TYR A 90 1.356 -8.684 -10.835 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.361 -7.262 -9.703 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.406 -6.906 -8.669 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.061 -7.895 -7.947 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.736 -5.581 -8.415 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.017 -7.575 -7.002 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -3.689 -5.251 -7.470 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.327 -6.252 -6.767 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.277 -5.929 -5.826 1.00 0.00 O ATOM 0 H TYR A 90 -0.289 -6.285 -7.701 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.225 -8.881 -8.859 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.120 -6.372 -10.285 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.781 -7.991 -10.396 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.819 -8.932 -8.127 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.240 -4.795 -8.965 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.519 -8.357 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.933 -4.216 -7.283 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.376 -4.955 -5.782 1.00 0.00 H new ATOM 1410 N LYS A 91 1.696 -6.562 -10.172 1.00 0.00 N ATOM 1411 CA LYS A 91 2.800 -6.333 -11.096 1.00 0.00 C ATOM 1412 C LYS A 91 3.778 -7.504 -11.076 1.00 0.00 C ATOM 1413 O LYS A 91 4.304 -7.903 -12.115 1.00 0.00 O ATOM 1414 CB LYS A 91 3.532 -5.038 -10.738 1.00 0.00 C ATOM 1415 CG LYS A 91 4.319 -4.444 -11.893 1.00 0.00 C ATOM 1416 CD LYS A 91 5.685 -5.095 -12.030 1.00 0.00 C ATOM 1417 CE LYS A 91 6.560 -4.350 -13.026 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.897 -2.979 -12.552 1.00 0.00 N ATOM 0 H LYS A 91 1.464 -5.760 -9.586 1.00 0.00 H new ATOM 0 HA LYS A 91 2.387 -6.244 -12.101 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.805 -4.304 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.212 -5.232 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.759 -4.572 -12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.440 -3.372 -11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.177 -5.118 -11.058 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.566 -6.130 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.479 -4.912 -13.194 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.046 -4.286 -13.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.727 -2.627 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.090 -2.345 -12.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.110 -3.006 -11.534 1.00 0.00 H new ATOM 1432 N TYR A 92 4.015 -8.051 -9.889 1.00 0.00 N ATOM 1433 CA TYR A 92 4.929 -9.176 -9.735 1.00 0.00 C ATOM 1434 C TYR A 92 4.172 -10.500 -9.749 1.00 0.00 C ATOM 1435 O TYR A 92 4.271 -11.274 -10.700 1.00 0.00 O ATOM 1436 CB TYR A 92 5.720 -9.042 -8.432 1.00 0.00 C ATOM 1437 CG TYR A 92 6.694 -10.174 -8.196 1.00 0.00 C ATOM 1438 CD1 TYR A 92 6.301 -11.326 -7.526 1.00 0.00 C ATOM 1439 CD2 TYR A 92 8.007 -10.092 -8.643 1.00 0.00 C ATOM 1440 CE1 TYR A 92 7.188 -12.363 -7.307 1.00 0.00 C ATOM 1441 CE2 TYR A 92 8.900 -11.124 -8.431 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.486 -12.257 -7.762 1.00 0.00 C ATOM 1443 OH TYR A 92 9.372 -13.288 -7.547 1.00 0.00 O ATOM 0 H TYR A 92 3.587 -7.733 -9.019 1.00 0.00 H new ATOM 0 HA TYR A 92 5.622 -9.166 -10.577 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.267 -8.099 -8.444 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.022 -8.994 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 92 5.285 -11.413 -7.170 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.335 -9.206 -9.165 1.00 0.00 H new ATOM 0 HE1 TYR A 92 6.867 -13.251 -6.783 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.917 -11.044 -8.787 1.00 0.00 H new ATOM 0 HH TYR A 92 10.243 -13.056 -7.931 1.00 0.00 H new ATOM 1453 N ASN A 93 3.415 -10.753 -8.687 1.00 0.00 N ATOM 1454 CA ASN A 93 2.639 -11.983 -8.576 1.00 0.00 C ATOM 1455 C ASN A 93 1.751 -12.178 -9.800 1.00 0.00 C ATOM 1456 O ASN A 93 1.136 -11.240 -10.308 1.00 0.00 O ATOM 1457 CB ASN A 93 1.782 -11.958 -7.308 1.00 0.00 C ATOM 1458 CG ASN A 93 2.616 -11.828 -6.049 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.549 -12.600 -5.826 1.00 0.00 O ATOM 1460 ND2 ASN A 93 2.283 -10.848 -5.217 1.00 0.00 N ATOM 0 H ASN A 93 3.322 -10.123 -7.890 1.00 0.00 H new ATOM 0 HA ASN A 93 3.336 -12.819 -8.518 1.00 0.00 H new ATOM 0 HB2 ASN A 93 1.080 -11.126 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.189 -12.871 -7.255 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.808 -10.712 -4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.502 -10.231 -5.442 1.00 0.00 H new ATOM 1467 N PRO A 94 1.679 -13.426 -10.287 1.00 0.00 N ATOM 1468 CA PRO A 94 0.867 -13.774 -11.456 1.00 0.00 C ATOM 1469 C PRO A 94 -0.628 -13.696 -11.169 1.00 0.00 C ATOM 1470 O PRO A 94 -1.059 -13.583 -10.021 1.00 0.00 O ATOM 1471 CB PRO A 94 1.279 -15.218 -11.757 1.00 0.00 C ATOM 1472 CG PRO A 94 1.757 -15.755 -10.452 1.00 0.00 C ATOM 1473 CD PRO A 94 2.384 -14.593 -9.731 1.00 0.00 C ATOM 0 HA PRO A 94 1.033 -13.087 -12.286 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.439 -15.798 -12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.064 -15.257 -12.512 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.931 -16.172 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.479 -16.558 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.248 -14.668 -8.652 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.457 -14.539 -9.913 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.440 -13.757 -12.234 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.901 -13.696 -12.121 1.00 0.00 C ATOM 1483 C PRO A 95 -3.486 -14.950 -11.480 1.00 0.00 C ATOM 1484 O PRO A 95 -4.702 -15.072 -11.330 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.364 -13.573 -13.575 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.269 -14.188 -14.375 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.996 -13.892 -13.632 1.00 0.00 C ATOM 0 HA PRO A 95 -3.227 -12.873 -11.484 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.310 -14.091 -13.734 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.521 -12.531 -13.854 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.419 -15.263 -14.480 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.239 -13.771 -15.381 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.268 -14.695 -13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.523 -12.979 -13.993 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.613 -15.878 -11.103 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.043 -17.122 -10.476 1.00 0.00 C ATOM 1497 C ASP A 96 -2.858 -17.060 -8.963 1.00 0.00 C ATOM 1498 O ASP A 96 -3.631 -17.651 -8.208 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.262 -18.304 -11.050 1.00 0.00 C ATOM 1500 CG ASP A 96 -2.168 -18.257 -12.562 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -3.118 -17.757 -13.201 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -1.144 -18.718 -13.108 1.00 0.00 O ATOM 0 H ASP A 96 -1.603 -15.792 -11.221 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.103 -17.260 -10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.258 -18.312 -10.627 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.743 -19.234 -10.748 1.00 0.00 H new ATOM 1507 N HIS A 97 -1.828 -16.342 -8.526 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.541 -16.204 -7.103 1.00 0.00 C ATOM 1509 C HIS A 97 -2.816 -15.908 -6.318 1.00 0.00 C ATOM 1510 O HIS A 97 -3.576 -15.006 -6.669 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.517 -15.092 -6.873 1.00 0.00 C ATOM 1512 CG HIS A 97 0.323 -15.295 -5.650 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.139 -15.930 -4.517 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.604 -14.945 -5.388 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.821 -15.959 -3.609 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.889 -15.369 -4.113 1.00 0.00 N ATOM 0 H HIS A 97 -1.178 -15.847 -9.137 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.127 -17.148 -6.748 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.135 -15.024 -7.744 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.040 -14.139 -6.791 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.277 -14.429 -6.057 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.745 -16.392 -2.622 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.781 -15.248 -3.633 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.042 -16.674 -5.255 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.225 -16.493 -4.422 1.00 0.00 C ATOM 1526 C GLU A 98 -4.183 -15.149 -3.701 1.00 0.00 C ATOM 1527 O GLU A 98 -5.210 -14.493 -3.527 1.00 0.00 O ATOM 1528 CB GLU A 98 -4.336 -17.629 -3.402 1.00 0.00 C ATOM 1529 CG GLU A 98 -3.627 -17.339 -2.090 1.00 0.00 C ATOM 1530 CD GLU A 98 -3.646 -18.523 -1.143 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -2.926 -19.508 -1.410 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -4.381 -18.466 -0.135 1.00 0.00 O ATOM 0 H GLU A 98 -2.422 -17.425 -4.951 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.101 -16.510 -5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.389 -17.824 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.921 -18.538 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.594 -17.058 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.100 -16.484 -1.607 1.00 0.00 H new ATOM 1539 N VAL A 99 -2.987 -14.746 -3.282 1.00 0.00 N ATOM 1540 CA VAL A 99 -2.810 -13.481 -2.580 1.00 0.00 C ATOM 1541 C VAL A 99 -3.429 -12.327 -3.361 1.00 0.00 C ATOM 1542 O VAL A 99 -3.903 -11.352 -2.778 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.320 -13.179 -2.336 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -0.702 -12.513 -3.556 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.149 -12.308 -1.100 1.00 0.00 C ATOM 0 H VAL A 99 -2.127 -15.278 -3.417 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.316 -13.579 -1.620 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.800 -14.122 -2.164 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.351 -12.308 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.791 -13.176 -4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.222 -11.578 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.090 -12.104 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.682 -11.368 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.552 -12.827 -0.230 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.424 -12.446 -4.685 1.00 0.00 N ATOM 1556 CA VAL A 100 -3.987 -11.414 -5.548 1.00 0.00 C ATOM 1557 C VAL A 100 -5.457 -11.170 -5.225 1.00 0.00 C ATOM 1558 O VAL A 100 -5.876 -10.032 -5.015 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.854 -11.792 -7.035 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.773 -10.931 -7.888 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.409 -11.659 -7.492 1.00 0.00 C ATOM 0 H VAL A 100 -3.036 -13.247 -5.183 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.421 -10.501 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.154 -12.833 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.666 -11.212 -8.936 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.806 -11.082 -7.576 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.506 -9.881 -7.765 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.334 -11.930 -8.545 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.078 -10.629 -7.358 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.778 -12.322 -6.901 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.235 -12.246 -5.187 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.658 -12.150 -4.888 1.00 0.00 C ATOM 1573 C ALA A 101 -7.892 -11.450 -3.553 1.00 0.00 C ATOM 1574 O ALA A 101 -8.905 -10.777 -3.364 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.291 -13.534 -4.879 1.00 0.00 C ATOM 0 H ALA A 101 -5.904 -13.195 -5.360 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.129 -11.553 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.354 -13.446 -4.654 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.164 -13.999 -5.857 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.809 -14.150 -4.119 1.00 0.00 H new ATOM 1581 N MET A 102 -6.949 -11.614 -2.631 1.00 0.00 N ATOM 1582 CA MET A 102 -7.054 -10.997 -1.314 1.00 0.00 C ATOM 1583 C MET A 102 -6.781 -9.499 -1.392 1.00 0.00 C ATOM 1584 O MET A 102 -7.436 -8.703 -0.719 1.00 0.00 O ATOM 1585 CB MET A 102 -6.074 -11.655 -0.340 1.00 0.00 C ATOM 1586 CG MET A 102 -6.408 -13.105 -0.028 1.00 0.00 C ATOM 1587 SD MET A 102 -5.887 -13.598 1.626 1.00 0.00 S ATOM 1588 CE MET A 102 -4.153 -13.154 1.581 1.00 0.00 C ATOM 0 H MET A 102 -6.104 -12.168 -2.771 1.00 0.00 H new ATOM 0 HA MET A 102 -8.071 -11.145 -0.951 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.069 -11.604 -0.759 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.061 -11.086 0.589 1.00 0.00 H new ATOM 0 HG2 MET A 102 -7.483 -13.255 -0.126 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.928 -13.751 -0.763 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.553 -13.997 1.922 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.870 -12.896 0.560 1.00 0.00 H new ATOM 0 HE3 MET A 102 -3.980 -12.298 2.233 1.00 0.00 H new ATOM 1598 N ALA A 103 -5.811 -9.121 -2.218 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.454 -7.717 -2.385 1.00 0.00 C ATOM 1600 C ALA A 103 -6.635 -6.910 -2.913 1.00 0.00 C ATOM 1601 O ALA A 103 -6.814 -5.746 -2.553 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.261 -7.584 -3.320 1.00 0.00 C ATOM 0 H ALA A 103 -5.258 -9.767 -2.782 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.182 -7.317 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.005 -6.531 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.409 -8.120 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.513 -8.005 -4.293 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.437 -7.534 -3.770 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.599 -6.871 -4.349 1.00 0.00 C ATOM 1610 C ARG A 104 -9.611 -6.504 -3.267 1.00 0.00 C ATOM 1611 O ARG A 104 -9.976 -5.339 -3.112 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.259 -7.773 -5.394 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.454 -7.908 -6.677 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.179 -8.767 -7.701 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.375 -8.109 -8.219 1.00 0.00 N ATOM 1616 CZ ARG A 104 -11.395 -8.762 -8.766 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.363 -10.084 -8.864 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -12.449 -8.093 -9.215 1.00 0.00 N ATOM 0 H ARG A 104 -7.303 -8.497 -4.078 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.260 -5.954 -4.832 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.410 -8.763 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.245 -7.376 -5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.267 -6.919 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.482 -8.348 -6.454 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.504 -8.994 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.457 -9.717 -7.245 1.00 0.00 H new ATOM 0 HE ARG A 104 -10.431 -7.092 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.555 -10.602 -8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.147 -10.583 -9.284 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.477 -7.076 -9.141 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -13.231 -8.596 -9.635 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.062 -7.507 -2.521 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.031 -7.292 -1.453 1.00 0.00 C ATOM 1634 C LYS A 105 -10.770 -5.968 -0.741 1.00 0.00 C ATOM 1635 O LYS A 105 -11.675 -5.148 -0.583 1.00 0.00 O ATOM 1636 CB LYS A 105 -10.976 -8.444 -0.447 1.00 0.00 C ATOM 1637 CG LYS A 105 -11.892 -9.603 -0.801 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.649 -10.801 0.102 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.655 -11.911 -0.162 1.00 0.00 C ATOM 1640 NZ LYS A 105 -12.340 -12.660 -1.409 1.00 0.00 N ATOM 0 H LYS A 105 -9.771 -8.478 -2.637 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.025 -7.255 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.951 -8.809 -0.380 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.245 -8.067 0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.931 -9.286 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.732 -9.891 -1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.639 -11.179 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.713 -10.491 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.665 -12.600 0.683 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.655 -11.484 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.049 -13.407 -1.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -12.355 -12.008 -2.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.396 -13.089 -1.327 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.528 -5.766 -0.314 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.148 -4.541 0.380 1.00 0.00 C ATOM 1656 C LEU A 106 -9.173 -3.347 -0.568 1.00 0.00 C ATOM 1657 O LEU A 106 -9.572 -2.247 -0.186 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.754 -4.690 0.993 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.275 -3.527 1.862 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.973 -3.547 3.213 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.764 -3.581 2.040 1.00 0.00 C ATOM 0 H LEU A 106 -8.768 -6.435 -0.436 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.872 -4.365 1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.739 -5.598 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.037 -4.833 0.185 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.529 -2.594 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.619 -2.712 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.050 -3.459 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.751 -4.484 3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.441 -2.746 2.661 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.488 -4.519 2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.280 -3.517 1.065 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.747 -3.573 -1.807 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.723 -2.515 -2.811 1.00 0.00 C ATOM 1675 C GLN A 107 -10.127 -1.981 -3.072 1.00 0.00 C ATOM 1676 O GLN A 107 -10.299 -0.832 -3.480 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.111 -3.033 -4.113 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.969 -1.965 -5.186 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.650 -2.546 -6.549 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -8.291 -3.497 -6.997 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.653 -1.976 -7.217 1.00 0.00 N ATOM 0 H GLN A 107 -8.414 -4.478 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.109 -1.699 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.129 -3.455 -3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.730 -3.843 -4.498 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.894 -1.392 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.181 -1.269 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.149 -1.190 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.392 -2.325 -8.139 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.128 -2.821 -2.836 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.518 -2.433 -3.046 1.00 0.00 C ATOM 1692 C ASP A 108 -12.957 -1.405 -2.008 1.00 0.00 C ATOM 1693 O ASP A 108 -13.321 -0.280 -2.349 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.428 -3.661 -2.982 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.709 -3.474 -3.770 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -15.575 -2.694 -3.320 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -14.846 -4.107 -4.838 1.00 0.00 O ATOM 0 H ASP A 108 -11.003 -3.776 -2.499 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.598 -1.982 -4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.891 -4.528 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.673 -3.874 -1.941 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.922 -1.799 -0.739 1.00 0.00 N ATOM 1703 CA VAL A 109 -13.316 -0.912 0.349 1.00 0.00 C ATOM 1704 C VAL A 109 -12.518 0.386 0.315 1.00 0.00 C ATOM 1705 O VAL A 109 -13.040 1.456 0.631 1.00 0.00 O ATOM 1706 CB VAL A 109 -13.123 -1.586 1.720 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -11.689 -2.066 1.882 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.504 -0.630 2.841 1.00 0.00 C ATOM 0 H VAL A 109 -12.625 -2.727 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 109 -14.374 -0.688 0.209 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.779 -2.454 1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -11.572 -2.540 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -11.456 -2.787 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -11.010 -1.216 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.362 -1.122 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -12.874 0.258 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -14.549 -0.340 2.733 1.00 0.00 H new ATOM 1718 N PHE A 110 -11.250 0.285 -0.069 1.00 0.00 N ATOM 1719 CA PHE A 110 -10.379 1.452 -0.144 1.00 0.00 C ATOM 1720 C PHE A 110 -10.820 2.390 -1.263 1.00 0.00 C ATOM 1721 O PHE A 110 -10.858 3.607 -1.088 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.929 1.019 -0.368 1.00 0.00 C ATOM 1723 CG PHE A 110 -8.008 2.157 -0.702 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.474 2.951 0.301 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.675 2.433 -2.018 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.627 4.000 -0.004 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.828 3.480 -2.329 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.302 4.264 -1.320 1.00 0.00 C ATOM 0 H PHE A 110 -10.803 -0.593 -0.333 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.449 1.987 0.803 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.565 0.519 0.529 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.897 0.288 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.722 2.748 1.332 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -8.082 1.823 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.220 4.613 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.578 3.685 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.638 5.081 -1.560 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.152 1.813 -2.414 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.589 2.598 -3.563 1.00 0.00 C ATOM 1740 C GLU A 111 -12.818 3.433 -3.216 1.00 0.00 C ATOM 1741 O GLU A 111 -12.814 4.654 -3.365 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.900 1.679 -4.747 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.661 1.141 -5.442 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.162 2.061 -6.540 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.802 2.109 -7.611 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.131 2.732 -6.327 1.00 0.00 O ATOM 0 H GLU A 111 -11.127 0.806 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.779 3.273 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.503 0.841 -4.397 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.504 2.225 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.870 0.997 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.883 0.162 -5.867 1.00 0.00 H new ATOM 1753 N MET A 112 -13.869 2.764 -2.753 1.00 0.00 N ATOM 1754 CA MET A 112 -15.105 3.444 -2.384 1.00 0.00 C ATOM 1755 C MET A 112 -14.845 4.506 -1.321 1.00 0.00 C ATOM 1756 O MET A 112 -15.444 5.581 -1.344 1.00 0.00 O ATOM 1757 CB MET A 112 -16.134 2.434 -1.871 1.00 0.00 C ATOM 1758 CG MET A 112 -15.682 1.682 -0.630 1.00 0.00 C ATOM 1759 SD MET A 112 -17.029 0.789 0.170 1.00 0.00 S ATOM 1760 CE MET A 112 -18.043 2.149 0.744 1.00 0.00 C ATOM 0 H MET A 112 -13.889 1.752 -2.625 1.00 0.00 H new ATOM 0 HA MET A 112 -15.500 3.935 -3.274 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.065 2.957 -1.650 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.351 1.716 -2.662 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.896 0.978 -0.903 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.247 2.387 0.079 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.650 1.820 1.588 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.402 2.973 1.058 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.695 2.483 -0.063 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.948 4.198 -0.390 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.610 5.126 0.683 1.00 0.00 C ATOM 1772 C ARG A 113 -13.014 6.413 0.120 1.00 0.00 C ATOM 1773 O ARG A 113 -13.469 7.512 0.440 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.623 4.477 1.656 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.292 3.636 2.730 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.963 4.506 3.782 1.00 0.00 C ATOM 1777 NE ARG A 113 -13.057 4.837 4.878 1.00 0.00 N ATOM 1778 CZ ARG A 113 -12.792 4.015 5.887 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -13.362 2.819 5.939 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -11.956 4.388 6.847 1.00 0.00 N ATOM 0 H ARG A 113 -13.442 3.313 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.527 5.374 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.931 3.850 1.094 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.030 5.257 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.033 2.981 2.272 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.550 2.995 3.206 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.321 5.425 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.836 3.988 4.178 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.602 5.750 4.868 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.006 2.528 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.157 2.190 6.715 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.516 5.307 6.811 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.754 3.755 7.621 1.00 0.00 H new ATOM 1794 N PHE A 114 -11.993 6.269 -0.719 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.334 7.420 -1.325 1.00 0.00 C ATOM 1796 C PHE A 114 -12.350 8.334 -2.004 1.00 0.00 C ATOM 1797 O PHE A 114 -12.322 9.551 -1.825 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.287 6.958 -2.341 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.180 7.950 -2.553 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.380 8.352 -1.496 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.938 8.480 -3.811 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.359 9.265 -1.688 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.919 9.392 -4.009 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.129 9.786 -2.946 1.00 0.00 C ATOM 0 H PHE A 114 -11.604 5.367 -0.994 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.839 7.982 -0.533 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.859 6.014 -2.005 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.778 6.764 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.556 7.948 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.553 8.177 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.743 9.570 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -7.740 9.797 -4.994 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.333 10.500 -3.099 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.245 7.737 -2.783 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.271 8.495 -3.488 1.00 0.00 C ATOM 1816 C ALA A 115 -15.226 9.169 -2.509 1.00 0.00 C ATOM 1817 O ALA A 115 -15.551 10.348 -2.653 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.040 7.588 -4.438 1.00 0.00 C ATOM 0 H ALA A 115 -13.281 6.730 -2.942 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.777 9.274 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.803 8.168 -4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.353 7.158 -5.166 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.516 6.788 -3.871 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.674 8.414 -1.511 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.591 8.937 -0.507 1.00 0.00 C ATOM 1826 C LYS A 116 -16.129 10.301 -0.005 1.00 0.00 C ATOM 1827 O LYS A 116 -16.924 11.234 0.107 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.705 7.962 0.667 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.501 6.710 0.343 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.981 6.901 0.629 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.828 5.871 -0.104 1.00 0.00 C ATOM 1832 NZ LYS A 116 -21.265 5.965 0.273 1.00 0.00 N ATOM 0 H LYS A 116 -15.416 7.436 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.570 9.053 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.704 7.673 0.987 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.174 8.473 1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.363 6.451 -0.707 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.121 5.874 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.158 6.823 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.284 7.904 0.328 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.725 6.015 -1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.458 4.871 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -21.808 5.247 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -21.367 5.803 1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -21.625 6.911 0.035 1.00 0.00 H new ATOM 1846 N MET A 117 -14.838 10.410 0.294 1.00 0.00 N ATOM 1847 CA MET A 117 -14.270 11.662 0.781 1.00 0.00 C ATOM 1848 C MET A 117 -14.906 12.857 0.077 1.00 0.00 C ATOM 1849 O MET A 117 -14.960 12.911 -1.152 1.00 0.00 O ATOM 1850 CB MET A 117 -12.755 11.676 0.567 1.00 0.00 C ATOM 1851 CG MET A 117 -12.064 12.873 1.200 1.00 0.00 C ATOM 1852 SD MET A 117 -10.510 13.288 0.386 1.00 0.00 S ATOM 1853 CE MET A 117 -9.603 11.757 0.587 1.00 0.00 C ATOM 0 H MET A 117 -14.166 9.647 0.208 1.00 0.00 H new ATOM 0 HA MET A 117 -14.480 11.737 1.848 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.329 10.761 0.979 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.547 11.670 -0.503 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.731 13.734 1.162 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.874 12.663 2.253 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.568 11.904 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.631 11.452 1.633 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.058 10.981 -0.029 1.00 0.00 H new