USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 716 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 72 GLN : amide:sc= -0.0926 X(o=-0.093,f=-0.055) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 81:sc= 0.0207 USER MOD Single : A 26 LYS NZ :NH3+ -177:sc= -1.43 (180deg=-1.48) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.862 USER MOD Single : A 31 THR OG1 : rot -57:sc= 0.705 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.43 X(o=-0.43,f=-0.2) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.854 USER MOD Single : A 47 CYS SG : rot -160:sc= -0.949 USER MOD Single : A 48 THR OG1 : rot 65:sc= 1.05 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -112:sc= -0.383 (180deg=-3.36!) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0226 (180deg=-0.232) USER MOD Single : A 70 MET CE :methyl 144:sc= 0 (180deg=-0.862) USER MOD Single : A 71 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.8) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0.515 K(o=0.51,f=-0.0036) USER MOD Single : A 80 MET CE :methyl -129:sc= 0 (180deg=-0.0245) USER MOD Single : A 88 ASN : amide:sc= -0.258 X(o=-0.26,f=-0.016) USER MOD Single : A 90 GLN : amide:sc= -2.21 K(o=-2.2,f=-5.6!) USER MOD Single : A 94 GLN : amide:sc= -0.21 X(o=-0.21,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 130:sc= -0.257 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -155:sc= -0.0857 (180deg=-0.342) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 18 3.580 10.403 -6.095 1.00 0.00 N ATOM 127 CA PHE A 18 2.776 9.250 -6.483 1.00 0.00 C ATOM 128 C PHE A 18 3.514 8.392 -7.507 1.00 0.00 C ATOM 129 O PHE A 18 3.370 7.170 -7.529 1.00 0.00 O ATOM 130 CB PHE A 18 1.434 9.705 -7.056 1.00 0.00 C ATOM 131 CG PHE A 18 0.538 8.570 -7.462 1.00 0.00 C ATOM 132 CD1 PHE A 18 0.149 7.613 -6.538 1.00 0.00 C ATOM 133 CD2 PHE A 18 0.084 8.460 -8.766 1.00 0.00 C ATOM 134 CE1 PHE A 18 -0.674 6.567 -6.909 1.00 0.00 C ATOM 135 CE2 PHE A 18 -0.739 7.416 -9.142 1.00 0.00 C ATOM 136 CZ PHE A 18 -1.120 6.469 -8.212 1.00 0.00 C ATOM 0 HA PHE A 18 2.597 8.649 -5.592 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.920 10.315 -6.314 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.615 10.342 -7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 18 0.493 7.686 -5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.377 9.199 -9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.968 5.826 -6.180 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.084 7.341 -10.163 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.765 5.654 -8.503 1.00 0.00 H new ATOM 146 N SER A 19 4.305 9.042 -8.355 1.00 0.00 N ATOM 147 CA SER A 19 5.063 8.342 -9.385 1.00 0.00 C ATOM 148 C SER A 19 6.050 7.361 -8.760 1.00 0.00 C ATOM 149 O SER A 19 6.330 6.302 -9.322 1.00 0.00 O ATOM 150 CB SER A 19 5.809 9.343 -10.269 1.00 0.00 C ATOM 151 OG SER A 19 4.917 10.285 -10.838 1.00 0.00 O ATOM 0 H SER A 19 4.437 10.053 -8.349 1.00 0.00 H new ATOM 0 HA SER A 19 4.360 7.780 -10.000 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.563 9.863 -9.678 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.335 8.811 -11.062 1.00 0.00 H new ATOM 0 HG SER A 19 5.419 10.914 -11.397 1.00 0.00 H new ATOM 157 N ASP A 20 6.576 7.723 -7.595 1.00 0.00 N ATOM 158 CA ASP A 20 7.533 6.876 -6.892 1.00 0.00 C ATOM 159 C ASP A 20 6.815 5.790 -6.096 1.00 0.00 C ATOM 160 O ASP A 20 7.359 4.710 -5.868 1.00 0.00 O ATOM 161 CB ASP A 20 8.403 7.718 -5.958 1.00 0.00 C ATOM 162 CG ASP A 20 9.491 6.904 -5.288 1.00 0.00 C ATOM 163 OD1 ASP A 20 9.899 5.873 -5.862 1.00 0.00 O ATOM 164 OD2 ASP A 20 9.936 7.298 -4.190 1.00 0.00 O ATOM 0 H ASP A 20 6.356 8.597 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 20 8.170 6.397 -7.635 1.00 0.00 H new ATOM 0 HB2 ASP A 20 8.858 8.530 -6.525 1.00 0.00 H new ATOM 0 HB3 ASP A 20 7.774 8.175 -5.195 1.00 0.00 H new ATOM 169 N VAL A 21 5.588 6.085 -5.674 1.00 0.00 N ATOM 170 CA VAL A 21 4.796 5.135 -4.904 1.00 0.00 C ATOM 171 C VAL A 21 4.262 4.016 -5.792 1.00 0.00 C ATOM 172 O VAL A 21 4.351 2.838 -5.448 1.00 0.00 O ATOM 173 CB VAL A 21 3.612 5.828 -4.204 1.00 0.00 C ATOM 174 CG1 VAL A 21 2.825 4.830 -3.370 1.00 0.00 C ATOM 175 CG2 VAL A 21 4.106 6.983 -3.343 1.00 0.00 C ATOM 0 H VAL A 21 5.122 6.975 -5.853 1.00 0.00 H new ATOM 0 HA VAL A 21 5.458 4.711 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 21 2.946 6.231 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.993 5.339 -2.883 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.440 4.040 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.477 4.395 -2.613 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.257 7.462 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.793 6.605 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.622 7.710 -3.970 1.00 0.00 H new ATOM 185 N LYS A 22 3.706 4.395 -6.939 1.00 0.00 N ATOM 186 CA LYS A 22 3.158 3.424 -7.879 1.00 0.00 C ATOM 187 C LYS A 22 4.181 2.339 -8.200 1.00 0.00 C ATOM 188 O LYS A 22 3.826 1.177 -8.405 1.00 0.00 O ATOM 189 CB LYS A 22 2.721 4.124 -9.169 1.00 0.00 C ATOM 190 CG LYS A 22 3.830 4.922 -9.833 1.00 0.00 C ATOM 191 CD LYS A 22 3.396 5.462 -11.186 1.00 0.00 C ATOM 192 CE LYS A 22 4.586 5.689 -12.104 1.00 0.00 C ATOM 193 NZ LYS A 22 4.342 6.803 -13.062 1.00 0.00 N ATOM 0 H LYS A 22 3.623 5.366 -7.239 1.00 0.00 H new ATOM 0 HA LYS A 22 2.291 2.955 -7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.352 3.376 -9.871 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.888 4.791 -8.947 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.121 5.750 -9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.710 4.290 -9.958 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.703 4.762 -11.653 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.857 6.400 -11.049 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.469 5.911 -11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.798 4.774 -12.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.176 6.927 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.514 6.580 -13.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.165 7.682 -12.535 1.00 0.00 H new ATOM 207 N THR A 23 5.454 2.724 -8.240 1.00 0.00 N ATOM 208 CA THR A 23 6.528 1.784 -8.534 1.00 0.00 C ATOM 209 C THR A 23 6.751 0.823 -7.372 1.00 0.00 C ATOM 210 O THR A 23 6.696 -0.396 -7.541 1.00 0.00 O ATOM 211 CB THR A 23 7.847 2.517 -8.841 1.00 0.00 C ATOM 212 OG1 THR A 23 7.683 3.365 -9.983 1.00 0.00 O ATOM 213 CG2 THR A 23 8.971 1.524 -9.097 1.00 0.00 C ATOM 0 H THR A 23 5.765 3.681 -8.072 1.00 0.00 H new ATOM 0 HA THR A 23 6.222 1.219 -9.415 1.00 0.00 H new ATOM 0 HB THR A 23 8.110 3.124 -7.974 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.247 4.199 -9.711 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.893 2.065 -9.312 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.113 0.900 -8.215 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.713 0.894 -9.949 1.00 0.00 H new ATOM 221 N LEU A 24 7.003 1.377 -6.191 1.00 0.00 N ATOM 222 CA LEU A 24 7.234 0.569 -5.000 1.00 0.00 C ATOM 223 C LEU A 24 6.109 -0.443 -4.801 1.00 0.00 C ATOM 224 O LEU A 24 6.327 -1.533 -4.272 1.00 0.00 O ATOM 225 CB LEU A 24 7.352 1.466 -3.766 1.00 0.00 C ATOM 226 CG LEU A 24 7.430 0.747 -2.418 1.00 0.00 C ATOM 227 CD1 LEU A 24 8.296 1.530 -1.445 1.00 0.00 C ATOM 228 CD2 LEU A 24 6.036 0.536 -1.845 1.00 0.00 C ATOM 0 H LEU A 24 7.052 2.384 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 24 8.168 0.024 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.241 2.086 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.495 2.139 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 24 7.888 -0.230 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 24 8.340 1.003 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.302 1.628 -1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.868 2.521 -1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.111 0.023 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.551 1.502 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.447 -0.068 -2.535 1.00 0.00 H new ATOM 240 N LEU A 25 4.908 -0.075 -5.231 1.00 0.00 N ATOM 241 CA LEU A 25 3.748 -0.951 -5.104 1.00 0.00 C ATOM 242 C LEU A 25 3.745 -2.013 -6.199 1.00 0.00 C ATOM 243 O LEU A 25 3.333 -3.152 -5.974 1.00 0.00 O ATOM 244 CB LEU A 25 2.457 -0.133 -5.166 1.00 0.00 C ATOM 245 CG LEU A 25 2.030 0.548 -3.866 1.00 0.00 C ATOM 246 CD1 LEU A 25 1.187 1.779 -4.160 1.00 0.00 C ATOM 247 CD2 LEU A 25 1.267 -0.425 -2.979 1.00 0.00 C ATOM 0 H LEU A 25 4.711 0.824 -5.671 1.00 0.00 H new ATOM 0 HA LEU A 25 3.806 -1.453 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.573 0.633 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.650 -0.790 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 25 2.926 0.866 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.892 2.251 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.768 2.484 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.296 1.486 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.971 0.077 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.378 -0.775 -3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.905 -1.276 -2.739 1.00 0.00 H new ATOM 259 N LYS A 26 4.208 -1.634 -7.385 1.00 0.00 N ATOM 260 CA LYS A 26 4.263 -2.552 -8.515 1.00 0.00 C ATOM 261 C LYS A 26 5.362 -3.592 -8.319 1.00 0.00 C ATOM 262 O LYS A 26 5.169 -4.773 -8.605 1.00 0.00 O ATOM 263 CB LYS A 26 4.502 -1.782 -9.815 1.00 0.00 C ATOM 264 CG LYS A 26 4.806 -2.675 -11.006 1.00 0.00 C ATOM 265 CD LYS A 26 3.649 -3.614 -11.307 1.00 0.00 C ATOM 266 CE LYS A 26 3.666 -4.073 -12.756 1.00 0.00 C ATOM 267 NZ LYS A 26 4.401 -5.357 -12.923 1.00 0.00 N ATOM 0 H LYS A 26 4.551 -0.695 -7.588 1.00 0.00 H new ATOM 0 HA LYS A 26 3.305 -3.068 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.621 -1.181 -10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.331 -1.090 -9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.013 -2.059 -11.881 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.706 -3.257 -10.806 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.702 -4.481 -10.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.706 -3.110 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.642 -4.192 -13.111 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.131 -3.305 -13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.434 -5.610 -13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.370 -5.252 -12.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.913 -6.108 -12.394 1.00 0.00 H new ATOM 281 N GLU A 27 6.513 -3.144 -7.828 1.00 0.00 N ATOM 282 CA GLU A 27 7.642 -4.037 -7.594 1.00 0.00 C ATOM 283 C GLU A 27 7.387 -4.930 -6.384 1.00 0.00 C ATOM 284 O GLU A 27 7.740 -6.109 -6.383 1.00 0.00 O ATOM 285 CB GLU A 27 8.925 -3.230 -7.384 1.00 0.00 C ATOM 286 CG GLU A 27 8.874 -2.310 -6.177 1.00 0.00 C ATOM 287 CD GLU A 27 10.006 -1.300 -6.164 1.00 0.00 C ATOM 288 OE1 GLU A 27 10.446 -0.888 -7.257 1.00 0.00 O ATOM 289 OE2 GLU A 27 10.452 -0.923 -5.060 1.00 0.00 O ATOM 0 H GLU A 27 6.688 -2.169 -7.585 1.00 0.00 H new ATOM 0 HA GLU A 27 7.759 -4.670 -8.474 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.763 -3.918 -7.271 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.120 -2.635 -8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.921 -1.782 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.916 -2.908 -5.267 1.00 0.00 H new ATOM 296 N TRP A 28 6.771 -4.360 -5.354 1.00 0.00 N ATOM 297 CA TRP A 28 6.469 -5.103 -4.137 1.00 0.00 C ATOM 298 C TRP A 28 5.539 -6.276 -4.431 1.00 0.00 C ATOM 299 O TRP A 28 5.429 -7.207 -3.634 1.00 0.00 O ATOM 300 CB TRP A 28 5.833 -4.180 -3.095 1.00 0.00 C ATOM 301 CG TRP A 28 5.385 -4.899 -1.859 1.00 0.00 C ATOM 302 CD1 TRP A 28 6.157 -5.664 -1.031 1.00 0.00 C ATOM 303 CD2 TRP A 28 4.062 -4.921 -1.312 1.00 0.00 C ATOM 304 NE1 TRP A 28 5.392 -6.161 -0.002 1.00 0.00 N ATOM 305 CE2 TRP A 28 4.104 -5.719 -0.152 1.00 0.00 C ATOM 306 CE3 TRP A 28 2.846 -4.345 -1.688 1.00 0.00 C ATOM 307 CZ2 TRP A 28 2.977 -5.953 0.633 1.00 0.00 C ATOM 308 CZ3 TRP A 28 1.729 -4.577 -0.910 1.00 0.00 C ATOM 309 CH2 TRP A 28 1.800 -5.375 0.240 1.00 0.00 C ATOM 0 H TRP A 28 6.471 -3.385 -5.338 1.00 0.00 H new ATOM 0 HA TRP A 28 7.405 -5.497 -3.740 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.551 -3.408 -2.818 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.978 -3.674 -3.542 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.212 -5.851 -1.165 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.729 -6.761 0.751 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.781 -3.729 -2.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 3.030 -6.568 1.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.784 -4.136 -1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.909 -5.537 0.828 1.00 0.00 H new ATOM 320 N ILE A 29 4.874 -6.223 -5.580 1.00 0.00 N ATOM 321 CA ILE A 29 3.956 -7.282 -5.979 1.00 0.00 C ATOM 322 C ILE A 29 4.637 -8.278 -6.911 1.00 0.00 C ATOM 323 O ILE A 29 4.391 -9.483 -6.837 1.00 0.00 O ATOM 324 CB ILE A 29 2.709 -6.711 -6.680 1.00 0.00 C ATOM 325 CG1 ILE A 29 1.947 -5.778 -5.734 1.00 0.00 C ATOM 326 CG2 ILE A 29 1.807 -7.839 -7.159 1.00 0.00 C ATOM 327 CD1 ILE A 29 1.015 -4.824 -6.448 1.00 0.00 C ATOM 0 H ILE A 29 4.954 -5.458 -6.250 1.00 0.00 H new ATOM 0 HA ILE A 29 3.649 -7.793 -5.067 1.00 0.00 H new ATOM 0 HB ILE A 29 3.030 -6.135 -7.548 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.370 -6.379 -5.031 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.664 -5.203 -5.148 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.930 -7.419 -7.652 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.353 -8.468 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.491 -8.439 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.509 -4.194 -5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.589 -4.198 -7.131 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.275 -5.392 -7.012 1.00 0.00 H new ATOM 339 N THR A 30 5.496 -7.768 -7.789 1.00 0.00 N ATOM 340 CA THR A 30 6.214 -8.612 -8.735 1.00 0.00 C ATOM 341 C THR A 30 7.405 -9.292 -8.071 1.00 0.00 C ATOM 342 O THR A 30 7.467 -10.519 -7.987 1.00 0.00 O ATOM 343 CB THR A 30 6.708 -7.801 -9.947 1.00 0.00 C ATOM 344 OG1 THR A 30 7.506 -6.697 -9.506 1.00 0.00 O ATOM 345 CG2 THR A 30 5.537 -7.290 -10.771 1.00 0.00 C ATOM 0 H THR A 30 5.711 -6.774 -7.864 1.00 0.00 H new ATOM 0 HA THR A 30 5.512 -9.372 -9.078 1.00 0.00 H new ATOM 0 HB THR A 30 7.312 -8.458 -10.573 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.817 -6.187 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.912 -6.720 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.949 -8.135 -11.131 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.909 -6.648 -10.153 1.00 0.00 H new ATOM 353 N THR A 31 8.352 -8.487 -7.598 1.00 0.00 N ATOM 354 CA THR A 31 9.543 -9.011 -6.942 1.00 0.00 C ATOM 355 C THR A 31 9.174 -9.990 -5.833 1.00 0.00 C ATOM 356 O THR A 31 9.730 -11.085 -5.750 1.00 0.00 O ATOM 357 CB THR A 31 10.401 -7.878 -6.346 1.00 0.00 C ATOM 358 OG1 THR A 31 9.736 -7.302 -5.217 1.00 0.00 O ATOM 359 CG2 THR A 31 10.672 -6.801 -7.386 1.00 0.00 C ATOM 0 H THR A 31 8.317 -7.469 -7.657 1.00 0.00 H new ATOM 0 HA THR A 31 10.121 -9.532 -7.706 1.00 0.00 H new ATOM 0 HB THR A 31 11.354 -8.302 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 31 8.853 -6.976 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 31 11.279 -6.012 -6.943 1.00 0.00 H new ATOM 0 HG22 THR A 31 11.204 -7.237 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.727 -6.381 -7.730 1.00 0.00 H new ATOM 367 N ILE A 32 8.233 -9.589 -4.985 1.00 0.00 N ATOM 368 CA ILE A 32 7.790 -10.433 -3.882 1.00 0.00 C ATOM 369 C ILE A 32 6.578 -11.267 -4.283 1.00 0.00 C ATOM 370 O ILE A 32 5.784 -10.861 -5.130 1.00 0.00 O ATOM 371 CB ILE A 32 7.435 -9.596 -2.640 1.00 0.00 C ATOM 372 CG1 ILE A 32 8.542 -8.580 -2.348 1.00 0.00 C ATOM 373 CG2 ILE A 32 7.208 -10.500 -1.438 1.00 0.00 C ATOM 374 CD1 ILE A 32 9.891 -9.215 -2.094 1.00 0.00 C ATOM 0 H ILE A 32 7.763 -8.686 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 32 8.620 -11.096 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 32 6.512 -9.052 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 32 8.625 -7.893 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.259 -7.986 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.958 -9.893 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.388 -11.187 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.115 -11.069 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 32 10.628 -8.437 -1.894 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.824 -9.881 -1.233 1.00 0.00 H new ATOM 0 HD13 ILE A 32 10.195 -9.786 -2.971 1.00 0.00 H new ATOM 386 N SER A 33 6.442 -12.437 -3.665 1.00 0.00 N ATOM 387 CA SER A 33 5.327 -13.330 -3.958 1.00 0.00 C ATOM 388 C SER A 33 4.611 -13.743 -2.676 1.00 0.00 C ATOM 389 O SER A 33 3.384 -13.843 -2.642 1.00 0.00 O ATOM 390 CB SER A 33 5.823 -14.572 -4.702 1.00 0.00 C ATOM 391 OG SER A 33 6.644 -14.215 -5.800 1.00 0.00 O ATOM 0 H SER A 33 7.090 -12.788 -2.959 1.00 0.00 H new ATOM 0 HA SER A 33 4.620 -12.794 -4.591 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.382 -15.210 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.971 -15.153 -5.055 1.00 0.00 H new ATOM 0 HG SER A 33 6.949 -15.026 -6.258 1.00 0.00 H new ATOM 397 N ASP A 34 5.386 -13.983 -1.624 1.00 0.00 N ATOM 398 CA ASP A 34 4.827 -14.385 -0.338 1.00 0.00 C ATOM 399 C ASP A 34 5.313 -13.465 0.777 1.00 0.00 C ATOM 400 O ASP A 34 6.154 -13.835 1.597 1.00 0.00 O ATOM 401 CB ASP A 34 5.205 -15.833 -0.024 1.00 0.00 C ATOM 402 CG ASP A 34 4.693 -16.805 -1.068 1.00 0.00 C ATOM 403 OD1 ASP A 34 5.187 -16.760 -2.214 1.00 0.00 O ATOM 404 OD2 ASP A 34 3.797 -17.612 -0.740 1.00 0.00 O ATOM 0 H ASP A 34 6.403 -13.906 -1.636 1.00 0.00 H new ATOM 0 HA ASP A 34 3.742 -14.307 -0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.290 -15.916 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 34 4.803 -16.107 0.951 1.00 0.00 H new ATOM 409 N PRO A 35 4.776 -12.237 0.809 1.00 0.00 N ATOM 410 CA PRO A 35 5.140 -11.239 1.819 1.00 0.00 C ATOM 411 C PRO A 35 4.630 -11.606 3.208 1.00 0.00 C ATOM 412 O PRO A 35 3.657 -12.347 3.347 1.00 0.00 O ATOM 413 CB PRO A 35 4.459 -9.963 1.318 1.00 0.00 C ATOM 414 CG PRO A 35 3.314 -10.443 0.495 1.00 0.00 C ATOM 415 CD PRO A 35 3.769 -11.729 -0.137 1.00 0.00 C ATOM 0 HA PRO A 35 6.220 -11.147 1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.118 -9.344 2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.144 -9.355 0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.430 -10.603 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.044 -9.709 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.944 -12.430 -0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.195 -11.562 -1.126 1.00 0.00 H new ATOM 423 N MET A 36 5.292 -11.081 4.234 1.00 0.00 N ATOM 424 CA MET A 36 4.902 -11.353 5.613 1.00 0.00 C ATOM 425 C MET A 36 3.762 -10.436 6.047 1.00 0.00 C ATOM 426 O MET A 36 3.460 -9.448 5.378 1.00 0.00 O ATOM 427 CB MET A 36 6.100 -11.174 6.548 1.00 0.00 C ATOM 428 CG MET A 36 6.169 -12.216 7.652 1.00 0.00 C ATOM 429 SD MET A 36 6.518 -13.871 7.025 1.00 0.00 S ATOM 430 CE MET A 36 6.712 -14.779 8.556 1.00 0.00 C ATOM 0 H MET A 36 6.100 -10.466 4.137 1.00 0.00 H new ATOM 0 HA MET A 36 4.556 -12.385 5.670 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.018 -11.216 5.962 1.00 0.00 H new ATOM 0 HB3 MET A 36 6.055 -10.182 6.998 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.942 -11.932 8.366 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.223 -12.229 8.194 1.00 0.00 H new ATOM 0 HE1 MET A 36 6.932 -15.823 8.334 1.00 0.00 H new ATOM 0 HE2 MET A 36 7.531 -14.350 9.132 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.790 -14.718 9.135 1.00 0.00 H new ATOM 440 N GLU A 37 3.133 -10.772 7.169 1.00 0.00 N ATOM 441 CA GLU A 37 2.026 -9.980 7.689 1.00 0.00 C ATOM 442 C GLU A 37 2.432 -8.517 7.850 1.00 0.00 C ATOM 443 O GLU A 37 1.626 -7.612 7.636 1.00 0.00 O ATOM 444 CB GLU A 37 1.555 -10.540 9.033 1.00 0.00 C ATOM 445 CG GLU A 37 2.651 -10.597 10.085 1.00 0.00 C ATOM 446 CD GLU A 37 2.222 -11.345 11.333 1.00 0.00 C ATOM 447 OE1 GLU A 37 2.213 -12.593 11.303 1.00 0.00 O ATOM 448 OE2 GLU A 37 1.895 -10.681 12.340 1.00 0.00 O ATOM 0 H GLU A 37 3.371 -11.587 7.734 1.00 0.00 H new ATOM 0 HA GLU A 37 1.206 -10.036 6.973 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.736 -9.925 9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.157 -11.543 8.880 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.532 -11.079 9.661 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.943 -9.582 10.356 1.00 0.00 H new ATOM 455 N GLU A 38 3.687 -8.295 8.228 1.00 0.00 N ATOM 456 CA GLU A 38 4.200 -6.943 8.418 1.00 0.00 C ATOM 457 C GLU A 38 4.152 -6.155 7.112 1.00 0.00 C ATOM 458 O GLU A 38 3.891 -4.952 7.110 1.00 0.00 O ATOM 459 CB GLU A 38 5.634 -6.988 8.947 1.00 0.00 C ATOM 460 CG GLU A 38 6.626 -7.594 7.969 1.00 0.00 C ATOM 461 CD GLU A 38 7.678 -8.443 8.656 1.00 0.00 C ATOM 462 OE1 GLU A 38 7.301 -9.398 9.366 1.00 0.00 O ATOM 463 OE2 GLU A 38 8.880 -8.151 8.484 1.00 0.00 O ATOM 0 H GLU A 38 4.367 -9.034 8.409 1.00 0.00 H new ATOM 0 HA GLU A 38 3.567 -6.440 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.953 -5.975 9.194 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.653 -7.563 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 38 6.088 -8.205 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.116 -6.795 7.412 1.00 0.00 H new ATOM 470 N ASP A 39 4.407 -6.842 6.004 1.00 0.00 N ATOM 471 CA ASP A 39 4.393 -6.207 4.691 1.00 0.00 C ATOM 472 C ASP A 39 3.034 -5.576 4.406 1.00 0.00 C ATOM 473 O ASP A 39 2.948 -4.510 3.796 1.00 0.00 O ATOM 474 CB ASP A 39 4.734 -7.227 3.604 1.00 0.00 C ATOM 475 CG ASP A 39 6.130 -7.797 3.760 1.00 0.00 C ATOM 476 OD1 ASP A 39 6.927 -7.209 4.521 1.00 0.00 O ATOM 477 OD2 ASP A 39 6.424 -8.830 3.123 1.00 0.00 O ATOM 0 H ASP A 39 4.626 -7.838 5.989 1.00 0.00 H new ATOM 0 HA ASP A 39 5.146 -5.419 4.688 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.008 -8.040 3.632 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.645 -6.754 2.626 1.00 0.00 H new ATOM 482 N ILE A 40 1.974 -6.242 4.851 1.00 0.00 N ATOM 483 CA ILE A 40 0.618 -5.747 4.645 1.00 0.00 C ATOM 484 C ILE A 40 0.323 -4.559 5.553 1.00 0.00 C ATOM 485 O ILE A 40 -0.448 -3.666 5.196 1.00 0.00 O ATOM 486 CB ILE A 40 -0.429 -6.847 4.900 1.00 0.00 C ATOM 487 CG1 ILE A 40 -0.206 -8.024 3.949 1.00 0.00 C ATOM 488 CG2 ILE A 40 -1.835 -6.287 4.740 1.00 0.00 C ATOM 489 CD1 ILE A 40 0.720 -9.084 4.504 1.00 0.00 C ATOM 0 H ILE A 40 2.028 -7.126 5.357 1.00 0.00 H new ATOM 0 HA ILE A 40 0.553 -5.431 3.604 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.316 -7.206 5.923 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.168 -8.480 3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.204 -7.650 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.564 -7.076 4.923 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.988 -5.478 5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.961 -5.905 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.831 -9.887 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.695 -8.643 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.301 -9.486 5.426 1.00 0.00 H new ATOM 501 N LEU A 41 0.940 -4.552 6.729 1.00 0.00 N ATOM 502 CA LEU A 41 0.746 -3.472 7.690 1.00 0.00 C ATOM 503 C LEU A 41 1.519 -2.225 7.271 1.00 0.00 C ATOM 504 O LEU A 41 1.117 -1.102 7.577 1.00 0.00 O ATOM 505 CB LEU A 41 1.189 -3.916 9.084 1.00 0.00 C ATOM 506 CG LEU A 41 0.121 -4.593 9.944 1.00 0.00 C ATOM 507 CD1 LEU A 41 -1.045 -3.648 10.189 1.00 0.00 C ATOM 508 CD2 LEU A 41 -0.360 -5.877 9.284 1.00 0.00 C ATOM 0 H LEU A 41 1.580 -5.283 7.040 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.316 -3.228 7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.028 -4.603 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.559 -3.043 9.621 1.00 0.00 H new ATOM 0 HG LEU A 41 0.564 -4.847 10.907 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.795 -4.147 10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.689 -2.756 10.705 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.488 -3.362 9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.120 -6.345 9.910 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.786 -5.647 8.307 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.481 -6.560 9.161 1.00 0.00 H new ATOM 520 N GLN A 42 2.629 -2.430 6.571 1.00 0.00 N ATOM 521 CA GLN A 42 3.458 -1.323 6.110 1.00 0.00 C ATOM 522 C GLN A 42 2.729 -0.502 5.052 1.00 0.00 C ATOM 523 O GLN A 42 2.682 0.726 5.126 1.00 0.00 O ATOM 524 CB GLN A 42 4.780 -1.847 5.545 1.00 0.00 C ATOM 525 CG GLN A 42 5.760 -2.301 6.614 1.00 0.00 C ATOM 526 CD GLN A 42 6.096 -1.201 7.602 1.00 0.00 C ATOM 527 OE1 GLN A 42 6.084 -1.416 8.815 1.00 0.00 O ATOM 528 NE2 GLN A 42 6.399 -0.015 7.089 1.00 0.00 N ATOM 0 H GLN A 42 2.976 -3.353 6.310 1.00 0.00 H new ATOM 0 HA GLN A 42 3.667 -0.679 6.964 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.574 -2.681 4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.245 -1.064 4.946 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.338 -3.150 7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.677 -2.649 6.137 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.397 0.119 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.634 0.762 7.706 1.00 0.00 H new ATOM 537 N VAL A 43 2.160 -1.189 4.065 1.00 0.00 N ATOM 538 CA VAL A 43 1.433 -0.523 2.990 1.00 0.00 C ATOM 539 C VAL A 43 0.221 0.227 3.531 1.00 0.00 C ATOM 540 O VAL A 43 -0.153 1.279 3.012 1.00 0.00 O ATOM 541 CB VAL A 43 0.966 -1.529 1.922 1.00 0.00 C ATOM 542 CG1 VAL A 43 2.158 -2.112 1.179 1.00 0.00 C ATOM 543 CG2 VAL A 43 0.133 -2.632 2.557 1.00 0.00 C ATOM 0 H VAL A 43 2.189 -2.206 3.988 1.00 0.00 H new ATOM 0 HA VAL A 43 2.122 0.187 2.533 1.00 0.00 H new ATOM 0 HB VAL A 43 0.341 -1.002 1.201 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.808 -2.821 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.710 -1.309 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.812 -2.625 1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.189 -3.334 1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.732 -3.158 3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.742 -2.196 3.039 1.00 0.00 H new ATOM 553 N VAL A 44 -0.390 -0.321 4.577 1.00 0.00 N ATOM 554 CA VAL A 44 -1.559 0.297 5.189 1.00 0.00 C ATOM 555 C VAL A 44 -1.171 1.534 5.992 1.00 0.00 C ATOM 556 O VAL A 44 -1.890 2.532 6.001 1.00 0.00 O ATOM 557 CB VAL A 44 -2.298 -0.690 6.113 1.00 0.00 C ATOM 558 CG1 VAL A 44 -3.480 -0.011 6.786 1.00 0.00 C ATOM 559 CG2 VAL A 44 -2.749 -1.914 5.330 1.00 0.00 C ATOM 0 H VAL A 44 -0.094 -1.192 5.018 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.224 0.589 4.376 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.609 -1.018 6.892 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.989 -0.725 7.434 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.126 0.831 7.381 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.174 0.348 6.026 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.269 -2.601 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.422 -1.606 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.880 -2.413 4.902 1.00 0.00 H new ATOM 569 N ARG A 45 -0.028 1.459 6.666 1.00 0.00 N ATOM 570 CA ARG A 45 0.457 2.572 7.473 1.00 0.00 C ATOM 571 C ARG A 45 0.669 3.816 6.614 1.00 0.00 C ATOM 572 O ARG A 45 0.494 4.942 7.081 1.00 0.00 O ATOM 573 CB ARG A 45 1.765 2.192 8.171 1.00 0.00 C ATOM 574 CG ARG A 45 1.563 1.487 9.501 1.00 0.00 C ATOM 575 CD ARG A 45 0.936 2.412 10.533 1.00 0.00 C ATOM 576 NE ARG A 45 0.878 1.798 11.856 1.00 0.00 N ATOM 577 CZ ARG A 45 0.045 0.811 12.173 1.00 0.00 C ATOM 578 NH1 ARG A 45 -0.794 0.332 11.265 1.00 0.00 N ATOM 579 NH2 ARG A 45 0.052 0.303 13.398 1.00 0.00 N ATOM 0 H ARG A 45 0.579 0.639 6.669 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.298 2.797 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.344 1.546 7.511 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.355 3.094 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.926 0.614 9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.522 1.124 9.871 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.511 3.336 10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.071 2.681 10.214 1.00 0.00 H new ATOM 0 HE ARG A 45 1.511 2.145 12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.801 0.721 10.322 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.432 -0.425 11.510 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.697 0.669 14.098 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.587 -0.454 13.640 1.00 0.00 H new ATOM 593 N TYR A 46 1.045 3.604 5.358 1.00 0.00 N ATOM 594 CA TYR A 46 1.283 4.706 4.435 1.00 0.00 C ATOM 595 C TYR A 46 -0.013 5.448 4.127 1.00 0.00 C ATOM 596 O TYR A 46 -0.072 6.676 4.203 1.00 0.00 O ATOM 597 CB TYR A 46 1.908 4.188 3.139 1.00 0.00 C ATOM 598 CG TYR A 46 1.985 5.229 2.045 1.00 0.00 C ATOM 599 CD1 TYR A 46 2.677 6.419 2.238 1.00 0.00 C ATOM 600 CD2 TYR A 46 1.366 5.023 0.819 1.00 0.00 C ATOM 601 CE1 TYR A 46 2.749 7.373 1.241 1.00 0.00 C ATOM 602 CE2 TYR A 46 1.434 5.971 -0.185 1.00 0.00 C ATOM 603 CZ TYR A 46 2.126 7.145 0.033 1.00 0.00 C ATOM 604 OH TYR A 46 2.197 8.092 -0.963 1.00 0.00 O ATOM 0 H TYR A 46 1.192 2.678 4.956 1.00 0.00 H new ATOM 0 HA TYR A 46 1.974 5.402 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 46 2.912 3.821 3.351 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.328 3.338 2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.167 6.601 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.822 4.106 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 46 3.291 8.292 1.407 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.949 5.794 -1.134 1.00 0.00 H new ATOM 0 HH TYR A 46 3.039 8.588 -0.884 1.00 0.00 H new ATOM 614 N CYS A 47 -1.050 4.694 3.779 1.00 0.00 N ATOM 615 CA CYS A 47 -2.348 5.279 3.459 1.00 0.00 C ATOM 616 C CYS A 47 -3.003 5.864 4.706 1.00 0.00 C ATOM 617 O CYS A 47 -3.611 6.933 4.657 1.00 0.00 O ATOM 618 CB CYS A 47 -3.264 4.226 2.833 1.00 0.00 C ATOM 619 SG CYS A 47 -2.816 3.769 1.142 1.00 0.00 S ATOM 0 H CYS A 47 -1.018 3.677 3.711 1.00 0.00 H new ATOM 0 HA CYS A 47 -2.190 6.085 2.742 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.250 3.331 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -4.287 4.601 2.837 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.839 3.223 0.555 1.00 0.00 H new ATOM 625 N THR A 48 -2.876 5.155 5.824 1.00 0.00 N ATOM 626 CA THR A 48 -3.459 5.602 7.082 1.00 0.00 C ATOM 627 C THR A 48 -2.864 6.937 7.519 1.00 0.00 C ATOM 628 O THR A 48 -3.559 7.782 8.082 1.00 0.00 O ATOM 629 CB THR A 48 -3.242 4.565 8.201 1.00 0.00 C ATOM 630 OG1 THR A 48 -3.661 3.270 7.756 1.00 0.00 O ATOM 631 CG2 THR A 48 -4.015 4.952 9.453 1.00 0.00 C ATOM 0 H THR A 48 -2.374 4.269 5.883 1.00 0.00 H new ATOM 0 HA THR A 48 -4.529 5.722 6.911 1.00 0.00 H new ATOM 0 HB THR A 48 -2.179 4.539 8.443 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.086 2.976 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.847 4.206 10.230 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.673 5.925 9.805 1.00 0.00 H new ATOM 0 HG23 THR A 48 -5.079 5.002 9.223 1.00 0.00 H new ATOM 639 N ASP A 49 -1.574 7.118 7.258 1.00 0.00 N ATOM 640 CA ASP A 49 -0.887 8.351 7.623 1.00 0.00 C ATOM 641 C ASP A 49 -1.383 9.521 6.777 1.00 0.00 C ATOM 642 O ASP A 49 -1.413 10.664 7.237 1.00 0.00 O ATOM 643 CB ASP A 49 0.624 8.187 7.452 1.00 0.00 C ATOM 644 CG ASP A 49 1.277 7.542 8.659 1.00 0.00 C ATOM 645 OD1 ASP A 49 0.745 7.703 9.778 1.00 0.00 O ATOM 646 OD2 ASP A 49 2.319 6.877 8.485 1.00 0.00 O ATOM 0 H ASP A 49 -0.983 6.427 6.795 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.106 8.564 8.669 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.823 7.581 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.075 9.164 7.277 1.00 0.00 H new ATOM 651 N LEU A 50 -1.768 9.228 5.540 1.00 0.00 N ATOM 652 CA LEU A 50 -2.262 10.257 4.630 1.00 0.00 C ATOM 653 C LEU A 50 -3.585 10.831 5.125 1.00 0.00 C ATOM 654 O LEU A 50 -3.775 12.048 5.144 1.00 0.00 O ATOM 655 CB LEU A 50 -2.438 9.679 3.225 1.00 0.00 C ATOM 656 CG LEU A 50 -1.150 9.318 2.482 1.00 0.00 C ATOM 657 CD1 LEU A 50 -1.451 8.400 1.308 1.00 0.00 C ATOM 658 CD2 LEU A 50 -0.437 10.576 2.008 1.00 0.00 C ATOM 0 H LEU A 50 -1.748 8.288 5.144 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.528 11.062 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.056 8.784 3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.991 10.400 2.623 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.492 8.789 3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.523 8.154 0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.917 7.485 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.128 8.903 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.477 10.300 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.089 11.132 1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.187 11.198 2.867 1.00 0.00 H new ATOM 670 N ILE A 51 -4.495 9.950 5.524 1.00 0.00 N ATOM 671 CA ILE A 51 -5.799 10.371 6.023 1.00 0.00 C ATOM 672 C ILE A 51 -5.655 11.282 7.237 1.00 0.00 C ATOM 673 O ILE A 51 -6.530 12.101 7.517 1.00 0.00 O ATOM 674 CB ILE A 51 -6.674 9.162 6.402 1.00 0.00 C ATOM 675 CG1 ILE A 51 -6.888 8.258 5.186 1.00 0.00 C ATOM 676 CG2 ILE A 51 -8.008 9.629 6.964 1.00 0.00 C ATOM 677 CD1 ILE A 51 -7.122 6.807 5.545 1.00 0.00 C ATOM 0 H ILE A 51 -4.354 8.940 5.512 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.284 10.920 5.216 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.159 8.587 7.172 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.742 8.625 4.616 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.017 8.327 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.615 8.763 7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.836 10.235 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.530 10.224 6.215 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.266 6.225 4.634 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.259 6.423 6.088 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.010 6.726 6.171 1.00 0.00 H new ATOM 689 N GLU A 52 -4.545 11.134 7.953 1.00 0.00 N ATOM 690 CA GLU A 52 -4.288 11.944 9.138 1.00 0.00 C ATOM 691 C GLU A 52 -3.902 13.368 8.749 1.00 0.00 C ATOM 692 O GLU A 52 -4.082 14.305 9.526 1.00 0.00 O ATOM 693 CB GLU A 52 -3.176 11.316 9.982 1.00 0.00 C ATOM 694 CG GLU A 52 -3.515 9.927 10.497 1.00 0.00 C ATOM 695 CD GLU A 52 -4.223 9.959 11.838 1.00 0.00 C ATOM 696 OE1 GLU A 52 -3.741 10.666 12.747 1.00 0.00 O ATOM 697 OE2 GLU A 52 -5.260 9.276 11.978 1.00 0.00 O ATOM 0 H GLU A 52 -3.810 10.462 7.734 1.00 0.00 H new ATOM 0 HA GLU A 52 -5.204 11.981 9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.265 11.261 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.963 11.967 10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.146 9.418 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.599 9.344 10.588 1.00 0.00 H new ATOM 704 N GLU A 53 -3.369 13.522 7.541 1.00 0.00 N ATOM 705 CA GLU A 53 -2.956 14.832 7.049 1.00 0.00 C ATOM 706 C GLU A 53 -3.865 15.299 5.917 1.00 0.00 C ATOM 707 O GLU A 53 -3.544 16.244 5.197 1.00 0.00 O ATOM 708 CB GLU A 53 -1.505 14.785 6.567 1.00 0.00 C ATOM 709 CG GLU A 53 -1.220 13.647 5.602 1.00 0.00 C ATOM 710 CD GLU A 53 0.167 13.728 4.996 1.00 0.00 C ATOM 711 OE1 GLU A 53 0.359 14.537 4.063 1.00 0.00 O ATOM 712 OE2 GLU A 53 1.060 12.986 5.454 1.00 0.00 O ATOM 0 H GLU A 53 -3.213 12.757 6.885 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.035 15.543 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.261 15.730 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.847 14.691 7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.329 12.697 6.125 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.962 13.658 4.804 1.00 0.00 H new ATOM 719 N LYS A 54 -5.003 14.629 5.765 1.00 0.00 N ATOM 720 CA LYS A 54 -5.962 14.975 4.721 1.00 0.00 C ATOM 721 C LYS A 54 -5.357 14.763 3.337 1.00 0.00 C ATOM 722 O LYS A 54 -5.882 15.258 2.338 1.00 0.00 O ATOM 723 CB LYS A 54 -6.413 16.429 4.875 1.00 0.00 C ATOM 724 CG LYS A 54 -6.758 16.810 6.304 1.00 0.00 C ATOM 725 CD LYS A 54 -8.050 17.606 6.373 1.00 0.00 C ATOM 726 CE LYS A 54 -7.908 18.961 5.695 1.00 0.00 C ATOM 727 NZ LYS A 54 -8.167 20.083 6.638 1.00 0.00 N ATOM 0 H LYS A 54 -5.284 13.843 6.352 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.827 14.320 4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.622 17.086 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.284 16.600 4.242 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.853 15.908 6.909 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.945 17.397 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.852 17.042 5.896 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.336 17.748 7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.903 19.057 5.283 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.603 19.023 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.060 20.989 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.134 20.006 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.488 20.040 7.424 1.00 0.00 H new ATOM 741 N ASP A 55 -4.254 14.026 3.284 1.00 0.00 N ATOM 742 CA ASP A 55 -3.580 13.746 2.021 1.00 0.00 C ATOM 743 C ASP A 55 -4.008 12.392 1.464 1.00 0.00 C ATOM 744 O ASP A 55 -3.250 11.734 0.752 1.00 0.00 O ATOM 745 CB ASP A 55 -2.063 13.778 2.210 1.00 0.00 C ATOM 746 CG ASP A 55 -1.328 14.131 0.933 1.00 0.00 C ATOM 747 OD1 ASP A 55 -1.899 14.870 0.103 1.00 0.00 O ATOM 748 OD2 ASP A 55 -0.179 13.671 0.763 1.00 0.00 O ATOM 0 H ASP A 55 -3.807 13.611 4.101 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.865 14.518 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -1.811 14.504 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -1.723 12.805 2.564 1.00 0.00 H new ATOM 753 N LEU A 56 -5.229 11.982 1.794 1.00 0.00 N ATOM 754 CA LEU A 56 -5.758 10.705 1.328 1.00 0.00 C ATOM 755 C LEU A 56 -6.101 10.768 -0.157 1.00 0.00 C ATOM 756 O LEU A 56 -6.414 9.750 -0.774 1.00 0.00 O ATOM 757 CB LEU A 56 -7.000 10.321 2.134 1.00 0.00 C ATOM 758 CG LEU A 56 -7.944 11.468 2.500 1.00 0.00 C ATOM 759 CD1 LEU A 56 -8.302 12.279 1.264 1.00 0.00 C ATOM 760 CD2 LEU A 56 -9.200 10.931 3.170 1.00 0.00 C ATOM 0 H LEU A 56 -5.870 12.515 2.382 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.989 9.946 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.563 9.581 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.676 9.836 3.055 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.433 12.124 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.974 13.090 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.394 12.694 0.826 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.794 11.634 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.860 11.760 3.424 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.714 10.253 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.927 10.394 4.078 1.00 0.00 H new ATOM 772 N GLU A 57 -6.037 11.968 -0.724 1.00 0.00 N ATOM 773 CA GLU A 57 -6.340 12.162 -2.138 1.00 0.00 C ATOM 774 C GLU A 57 -5.400 11.338 -3.013 1.00 0.00 C ATOM 775 O GLU A 57 -5.821 10.731 -3.998 1.00 0.00 O ATOM 776 CB GLU A 57 -6.231 13.642 -2.507 1.00 0.00 C ATOM 777 CG GLU A 57 -7.439 14.464 -2.088 1.00 0.00 C ATOM 778 CD GLU A 57 -8.525 14.486 -3.146 1.00 0.00 C ATOM 779 OE1 GLU A 57 -8.183 14.498 -4.347 1.00 0.00 O ATOM 780 OE2 GLU A 57 -9.717 14.492 -2.773 1.00 0.00 O ATOM 0 H GLU A 57 -5.778 12.820 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.362 11.825 -2.314 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.339 14.059 -2.041 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.098 13.730 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.847 14.058 -1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.123 15.485 -1.876 1.00 0.00 H new ATOM 787 N LYS A 58 -4.122 11.321 -2.647 1.00 0.00 N ATOM 788 CA LYS A 58 -3.121 10.573 -3.396 1.00 0.00 C ATOM 789 C LYS A 58 -3.307 9.071 -3.205 1.00 0.00 C ATOM 790 O LYS A 58 -3.052 8.282 -4.115 1.00 0.00 O ATOM 791 CB LYS A 58 -1.713 10.983 -2.957 1.00 0.00 C ATOM 792 CG LYS A 58 -0.867 11.554 -4.082 1.00 0.00 C ATOM 793 CD LYS A 58 -1.327 12.949 -4.472 1.00 0.00 C ATOM 794 CE LYS A 58 -0.691 14.013 -3.591 1.00 0.00 C ATOM 795 NZ LYS A 58 0.029 15.040 -4.394 1.00 0.00 N ATOM 0 H LYS A 58 -3.756 11.818 -1.835 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.247 10.805 -4.453 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.791 11.723 -2.161 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.205 10.115 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.177 11.588 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.921 10.896 -4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.072 13.139 -5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.412 13.011 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.462 14.496 -2.991 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.005 13.542 -2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.448 15.747 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.782 14.583 -4.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.640 15.508 -5.039 1.00 0.00 H new ATOM 809 N LEU A 59 -3.754 8.683 -2.015 1.00 0.00 N ATOM 810 CA LEU A 59 -3.977 7.275 -1.704 1.00 0.00 C ATOM 811 C LEU A 59 -5.173 6.729 -2.477 1.00 0.00 C ATOM 812 O LEU A 59 -5.239 5.537 -2.777 1.00 0.00 O ATOM 813 CB LEU A 59 -4.201 7.093 -0.202 1.00 0.00 C ATOM 814 CG LEU A 59 -5.642 6.828 0.235 1.00 0.00 C ATOM 815 CD1 LEU A 59 -5.977 5.351 0.099 1.00 0.00 C ATOM 816 CD2 LEU A 59 -5.860 7.297 1.667 1.00 0.00 C ATOM 0 H LEU A 59 -3.969 9.323 -1.250 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.089 6.718 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.581 6.264 0.140 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.846 7.988 0.309 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.309 7.393 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.006 5.181 0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.861 5.046 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.304 4.766 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.891 7.101 1.961 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.184 6.760 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.661 8.367 1.734 1.00 0.00 H new ATOM 828 N ASP A 60 -6.115 7.609 -2.800 1.00 0.00 N ATOM 829 CA ASP A 60 -7.307 7.215 -3.541 1.00 0.00 C ATOM 830 C ASP A 60 -6.931 6.557 -4.865 1.00 0.00 C ATOM 831 O ASP A 60 -7.606 5.634 -5.325 1.00 0.00 O ATOM 832 CB ASP A 60 -8.197 8.432 -3.799 1.00 0.00 C ATOM 833 CG ASP A 60 -9.386 8.490 -2.858 1.00 0.00 C ATOM 834 OD1 ASP A 60 -9.167 8.590 -1.632 1.00 0.00 O ATOM 835 OD2 ASP A 60 -10.534 8.433 -3.346 1.00 0.00 O ATOM 0 H ASP A 60 -6.076 8.600 -2.560 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.857 6.492 -2.939 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.606 9.341 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.553 8.406 -4.829 1.00 0.00 H new ATOM 840 N LEU A 61 -5.852 7.036 -5.472 1.00 0.00 N ATOM 841 CA LEU A 61 -5.386 6.494 -6.745 1.00 0.00 C ATOM 842 C LEU A 61 -4.668 5.163 -6.540 1.00 0.00 C ATOM 843 O LEU A 61 -4.704 4.287 -7.403 1.00 0.00 O ATOM 844 CB LEU A 61 -4.452 7.489 -7.435 1.00 0.00 C ATOM 845 CG LEU A 61 -4.868 8.959 -7.365 1.00 0.00 C ATOM 846 CD1 LEU A 61 -3.734 9.857 -7.832 1.00 0.00 C ATOM 847 CD2 LEU A 61 -6.118 9.199 -8.200 1.00 0.00 C ATOM 0 H LEU A 61 -5.283 7.798 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.256 6.323 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.460 7.391 -6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.364 7.207 -8.484 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.095 9.204 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.048 10.899 -7.775 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.863 9.705 -7.194 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.476 9.611 -8.862 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.400 10.250 -8.139 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.917 8.937 -9.239 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.933 8.582 -7.821 1.00 0.00 H new ATOM 859 N VAL A 62 -4.018 5.019 -5.389 1.00 0.00 N ATOM 860 CA VAL A 62 -3.295 3.795 -5.068 1.00 0.00 C ATOM 861 C VAL A 62 -4.231 2.591 -5.052 1.00 0.00 C ATOM 862 O VAL A 62 -3.882 1.514 -5.536 1.00 0.00 O ATOM 863 CB VAL A 62 -2.590 3.901 -3.703 1.00 0.00 C ATOM 864 CG1 VAL A 62 -1.847 2.612 -3.384 1.00 0.00 C ATOM 865 CG2 VAL A 62 -1.641 5.090 -3.685 1.00 0.00 C ATOM 0 H VAL A 62 -3.978 5.735 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.545 3.658 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.347 4.056 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.355 2.706 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.554 1.783 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.099 2.423 -4.154 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.151 5.150 -2.713 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.888 4.967 -4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.203 6.007 -3.865 1.00 0.00 H new ATOM 875 N ILE A 63 -5.421 2.782 -4.494 1.00 0.00 N ATOM 876 CA ILE A 63 -6.409 1.712 -4.416 1.00 0.00 C ATOM 877 C ILE A 63 -6.755 1.183 -5.803 1.00 0.00 C ATOM 878 O ILE A 63 -6.960 -0.017 -5.989 1.00 0.00 O ATOM 879 CB ILE A 63 -7.699 2.187 -3.722 1.00 0.00 C ATOM 880 CG1 ILE A 63 -7.373 2.812 -2.363 1.00 0.00 C ATOM 881 CG2 ILE A 63 -8.669 1.027 -3.559 1.00 0.00 C ATOM 882 CD1 ILE A 63 -6.655 1.870 -1.422 1.00 0.00 C ATOM 0 H ILE A 63 -5.725 3.667 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 63 -5.963 0.912 -3.826 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.172 2.946 -4.345 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -6.757 3.698 -2.518 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.299 3.146 -1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.576 1.378 -3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.921 0.623 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.206 0.248 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.456 2.379 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.278 0.995 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.713 1.556 -1.871 1.00 0.00 H new ATOM 894 N LYS A 64 -6.819 2.086 -6.776 1.00 0.00 N ATOM 895 CA LYS A 64 -7.138 1.712 -8.148 1.00 0.00 C ATOM 896 C LYS A 64 -5.971 0.972 -8.796 1.00 0.00 C ATOM 897 O LYS A 64 -6.165 0.146 -9.687 1.00 0.00 O ATOM 898 CB LYS A 64 -7.487 2.954 -8.970 1.00 0.00 C ATOM 899 CG LYS A 64 -8.465 3.886 -8.277 1.00 0.00 C ATOM 900 CD LYS A 64 -9.833 3.242 -8.117 1.00 0.00 C ATOM 901 CE LYS A 64 -9.941 2.485 -6.802 1.00 0.00 C ATOM 902 NZ LYS A 64 -11.337 2.469 -6.285 1.00 0.00 N ATOM 0 H LYS A 64 -6.654 3.083 -6.639 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.000 1.046 -8.125 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.571 3.502 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.910 2.641 -9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.075 4.161 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.561 4.807 -8.852 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -10.605 4.010 -8.161 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.015 2.559 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.594 1.461 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.285 2.945 -6.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.369 1.944 -5.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -11.660 3.445 -6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.959 2.007 -6.979 1.00 0.00 H new ATOM 916 N TYR A 65 -4.760 1.275 -8.341 1.00 0.00 N ATOM 917 CA TYR A 65 -3.562 0.640 -8.878 1.00 0.00 C ATOM 918 C TYR A 65 -3.353 -0.740 -8.260 1.00 0.00 C ATOM 919 O TYR A 65 -2.893 -1.667 -8.926 1.00 0.00 O ATOM 920 CB TYR A 65 -2.336 1.517 -8.619 1.00 0.00 C ATOM 921 CG TYR A 65 -1.235 1.335 -9.640 1.00 0.00 C ATOM 922 CD1 TYR A 65 -1.489 1.481 -10.998 1.00 0.00 C ATOM 923 CD2 TYR A 65 0.058 1.016 -9.247 1.00 0.00 C ATOM 924 CE1 TYR A 65 -0.487 1.315 -11.935 1.00 0.00 C ATOM 925 CE2 TYR A 65 1.067 0.849 -10.175 1.00 0.00 C ATOM 926 CZ TYR A 65 0.789 1.000 -11.518 1.00 0.00 C ATOM 927 OH TYR A 65 1.791 0.834 -12.447 1.00 0.00 O ATOM 0 H TYR A 65 -4.582 1.956 -7.602 1.00 0.00 H new ATOM 0 HA TYR A 65 -3.696 0.520 -9.953 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -2.643 2.563 -8.611 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.942 1.292 -7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -2.487 1.729 -11.327 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.279 0.896 -8.197 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.702 1.431 -12.987 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.067 0.602 -9.852 1.00 0.00 H new ATOM 0 HH TYR A 65 2.629 0.616 -11.989 1.00 0.00 H new ATOM 937 N MET A 66 -3.696 -0.866 -6.982 1.00 0.00 N ATOM 938 CA MET A 66 -3.549 -2.133 -6.273 1.00 0.00 C ATOM 939 C MET A 66 -4.629 -3.122 -6.699 1.00 0.00 C ATOM 940 O MET A 66 -4.360 -4.310 -6.882 1.00 0.00 O ATOM 941 CB MET A 66 -3.614 -1.906 -4.762 1.00 0.00 C ATOM 942 CG MET A 66 -2.329 -1.347 -4.174 1.00 0.00 C ATOM 943 SD MET A 66 -2.261 -1.500 -2.380 1.00 0.00 S ATOM 944 CE MET A 66 -3.479 -0.282 -1.889 1.00 0.00 C ATOM 0 H MET A 66 -4.077 -0.108 -6.416 1.00 0.00 H new ATOM 0 HA MET A 66 -2.576 -2.554 -6.528 1.00 0.00 H new ATOM 0 HB2 MET A 66 -4.433 -1.221 -4.541 1.00 0.00 H new ATOM 0 HB3 MET A 66 -3.847 -2.851 -4.271 1.00 0.00 H new ATOM 0 HG2 MET A 66 -1.477 -1.868 -4.612 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.235 -0.296 -4.449 1.00 0.00 H new ATOM 0 HE1 MET A 66 -2.982 0.549 -1.388 1.00 0.00 H new ATOM 0 HE2 MET A 66 -4.001 0.087 -2.772 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.197 -0.739 -1.208 1.00 0.00 H new ATOM 954 N LYS A 67 -5.852 -2.626 -6.854 1.00 0.00 N ATOM 955 CA LYS A 67 -6.973 -3.465 -7.259 1.00 0.00 C ATOM 956 C LYS A 67 -6.746 -4.040 -8.654 1.00 0.00 C ATOM 957 O LYS A 67 -7.138 -5.172 -8.940 1.00 0.00 O ATOM 958 CB LYS A 67 -8.275 -2.661 -7.232 1.00 0.00 C ATOM 959 CG LYS A 67 -8.369 -1.618 -8.333 1.00 0.00 C ATOM 960 CD LYS A 67 -9.702 -0.892 -8.301 1.00 0.00 C ATOM 961 CE LYS A 67 -10.824 -1.760 -8.851 1.00 0.00 C ATOM 962 NZ LYS A 67 -10.680 -1.990 -10.315 1.00 0.00 N ATOM 0 H LYS A 67 -6.092 -1.646 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.050 -4.292 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.118 -3.347 -7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.367 -2.166 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.559 -0.897 -8.223 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.239 -2.099 -9.303 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.934 -0.601 -7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.631 0.026 -8.885 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.830 -2.718 -8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.784 -1.283 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.588 -2.311 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.396 -1.104 -10.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.955 -2.716 -10.483 1.00 0.00 H new ATOM 976 N ARG A 68 -6.113 -3.254 -9.516 1.00 0.00 N ATOM 977 CA ARG A 68 -5.834 -3.685 -10.882 1.00 0.00 C ATOM 978 C ARG A 68 -4.604 -4.588 -10.926 1.00 0.00 C ATOM 979 O ARG A 68 -4.501 -5.472 -11.778 1.00 0.00 O ATOM 980 CB ARG A 68 -5.622 -2.472 -11.790 1.00 0.00 C ATOM 981 CG ARG A 68 -4.368 -1.679 -11.463 1.00 0.00 C ATOM 982 CD ARG A 68 -4.100 -0.607 -12.508 1.00 0.00 C ATOM 983 NE ARG A 68 -3.549 -1.166 -13.740 1.00 0.00 N ATOM 984 CZ ARG A 68 -2.301 -1.609 -13.852 1.00 0.00 C ATOM 985 NH1 ARG A 68 -1.481 -1.557 -12.812 1.00 0.00 N ATOM 986 NH2 ARG A 68 -1.874 -2.106 -15.006 1.00 0.00 N ATOM 0 H ARG A 68 -5.783 -2.315 -9.294 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.693 -4.252 -11.240 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.569 -2.809 -12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.488 -1.815 -11.712 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.475 -1.215 -10.483 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.514 -2.354 -11.405 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.028 -0.080 -12.733 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.406 0.129 -12.102 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.155 -1.219 -14.559 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.807 -1.177 -11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.524 -1.898 -12.900 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -2.504 -2.148 -15.807 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.916 -2.446 -15.092 1.00 0.00 H new ATOM 1000 N LEU A 69 -3.675 -4.359 -10.005 1.00 0.00 N ATOM 1001 CA LEU A 69 -2.452 -5.151 -9.939 1.00 0.00 C ATOM 1002 C LEU A 69 -2.721 -6.519 -9.321 1.00 0.00 C ATOM 1003 O LEU A 69 -2.429 -7.551 -9.923 1.00 0.00 O ATOM 1004 CB LEU A 69 -1.386 -4.413 -9.126 1.00 0.00 C ATOM 1005 CG LEU A 69 -0.490 -3.453 -9.910 1.00 0.00 C ATOM 1006 CD1 LEU A 69 0.367 -2.628 -8.962 1.00 0.00 C ATOM 1007 CD2 LEU A 69 0.385 -4.221 -10.890 1.00 0.00 C ATOM 0 H LEU A 69 -3.745 -3.631 -9.294 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.089 -5.297 -10.956 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.884 -3.850 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.752 -5.154 -8.638 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.126 -2.773 -10.477 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.998 -1.951 -9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.277 -2.049 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.995 -3.292 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.016 -3.522 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.013 -4.924 -10.343 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.246 -4.767 -11.591 1.00 0.00 H new ATOM 1019 N MET A 70 -3.283 -6.518 -8.117 1.00 0.00 N ATOM 1020 CA MET A 70 -3.596 -7.761 -7.419 1.00 0.00 C ATOM 1021 C MET A 70 -4.502 -8.647 -8.267 1.00 0.00 C ATOM 1022 O MET A 70 -4.514 -9.868 -8.109 1.00 0.00 O ATOM 1023 CB MET A 70 -4.268 -7.461 -6.077 1.00 0.00 C ATOM 1024 CG MET A 70 -3.290 -7.354 -4.919 1.00 0.00 C ATOM 1025 SD MET A 70 -2.310 -5.842 -4.973 1.00 0.00 S ATOM 1026 CE MET A 70 -2.034 -5.554 -3.227 1.00 0.00 C ATOM 0 H MET A 70 -3.531 -5.672 -7.604 1.00 0.00 H new ATOM 0 HA MET A 70 -2.662 -8.293 -7.239 1.00 0.00 H new ATOM 0 HB2 MET A 70 -4.825 -6.527 -6.159 1.00 0.00 H new ATOM 0 HB3 MET A 70 -4.992 -8.246 -5.859 1.00 0.00 H new ATOM 0 HG2 MET A 70 -3.841 -7.392 -3.979 1.00 0.00 H new ATOM 0 HG3 MET A 70 -2.622 -8.215 -4.932 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.036 -5.140 -3.080 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.778 -4.851 -2.852 1.00 0.00 H new ATOM 0 HE3 MET A 70 -2.120 -6.496 -2.685 1.00 0.00 H new ATOM 1036 N GLN A 71 -5.259 -8.026 -9.166 1.00 0.00 N ATOM 1037 CA GLN A 71 -6.167 -8.759 -10.038 1.00 0.00 C ATOM 1038 C GLN A 71 -5.401 -9.727 -10.933 1.00 0.00 C ATOM 1039 O GLN A 71 -5.795 -10.881 -11.097 1.00 0.00 O ATOM 1040 CB GLN A 71 -6.981 -7.789 -10.895 1.00 0.00 C ATOM 1041 CG GLN A 71 -8.343 -7.455 -10.308 1.00 0.00 C ATOM 1042 CD GLN A 71 -9.338 -8.588 -10.458 1.00 0.00 C ATOM 1043 OE1 GLN A 71 -8.972 -9.706 -10.823 1.00 0.00 O ATOM 1044 NE2 GLN A 71 -10.605 -8.306 -10.177 1.00 0.00 N ATOM 0 H GLN A 71 -5.261 -7.016 -9.309 1.00 0.00 H new ATOM 0 HA GLN A 71 -6.846 -9.335 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.414 -6.867 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.118 -8.220 -11.887 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.229 -7.214 -9.251 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.737 -6.564 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.864 -7.366 -9.878 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.319 -9.030 -10.260 1.00 0.00 H new ATOM 1053 N GLN A 72 -4.303 -9.248 -11.510 1.00 0.00 N ATOM 1054 CA GLN A 72 -3.482 -10.072 -12.390 1.00 0.00 C ATOM 1055 C GLN A 72 -2.942 -11.290 -11.648 1.00 0.00 C ATOM 1056 O GLN A 72 -2.551 -12.281 -12.265 1.00 0.00 O ATOM 1057 CB GLN A 72 -2.323 -9.250 -12.957 1.00 0.00 C ATOM 1058 CG GLN A 72 -1.154 -9.103 -11.996 1.00 0.00 C ATOM 1059 CD GLN A 72 0.010 -10.006 -12.351 1.00 0.00 C ATOM 1060 OE1 GLN A 72 0.353 -10.920 -11.600 1.00 0.00 O ATOM 1061 NE2 GLN A 72 0.626 -9.756 -13.500 1.00 0.00 N ATOM 0 H GLN A 72 -3.962 -8.295 -11.384 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.109 -10.419 -13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.971 -9.719 -13.875 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.689 -8.259 -13.226 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.817 -8.066 -11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.490 -9.330 -10.984 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.309 -8.988 -14.092 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.416 -10.332 -13.791 1.00 0.00 H new ATOM 1070 N SER A 73 -2.924 -11.209 -10.321 1.00 0.00 N ATOM 1071 CA SER A 73 -2.428 -12.304 -9.495 1.00 0.00 C ATOM 1072 C SER A 73 -3.551 -13.276 -9.152 1.00 0.00 C ATOM 1073 O SER A 73 -4.715 -12.887 -9.047 1.00 0.00 O ATOM 1074 CB SER A 73 -1.800 -11.758 -8.212 1.00 0.00 C ATOM 1075 OG SER A 73 -1.164 -10.512 -8.445 1.00 0.00 O ATOM 0 H SER A 73 -3.247 -10.397 -9.795 1.00 0.00 H new ATOM 0 HA SER A 73 -1.668 -12.840 -10.063 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.569 -11.640 -7.449 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.074 -12.474 -7.826 1.00 0.00 H new ATOM 0 HG SER A 73 -0.772 -10.183 -7.609 1.00 0.00 H new ATOM 1081 N VAL A 74 -3.194 -14.545 -8.978 1.00 0.00 N ATOM 1082 CA VAL A 74 -4.171 -15.576 -8.645 1.00 0.00 C ATOM 1083 C VAL A 74 -4.036 -16.011 -7.190 1.00 0.00 C ATOM 1084 O VAL A 74 -4.985 -16.517 -6.594 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.018 -16.809 -9.555 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.084 -16.404 -11.019 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.716 -17.535 -9.253 1.00 0.00 C ATOM 0 H VAL A 74 -2.236 -14.884 -9.062 1.00 0.00 H new ATOM 0 HA VAL A 74 -5.158 -15.140 -8.801 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.844 -17.492 -9.354 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.974 -17.288 -11.646 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.045 -15.932 -11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.280 -15.701 -11.239 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.624 -18.404 -9.905 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.876 -16.862 -9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.714 -17.860 -8.213 1.00 0.00 H new ATOM 1097 N GLU A 75 -2.849 -15.809 -6.625 1.00 0.00 N ATOM 1098 CA GLU A 75 -2.591 -16.181 -5.240 1.00 0.00 C ATOM 1099 C GLU A 75 -3.652 -15.596 -4.312 1.00 0.00 C ATOM 1100 O GLU A 75 -3.852 -14.382 -4.266 1.00 0.00 O ATOM 1101 CB GLU A 75 -1.202 -15.702 -4.810 1.00 0.00 C ATOM 1102 CG GLU A 75 -0.098 -16.091 -5.778 1.00 0.00 C ATOM 1103 CD GLU A 75 -0.113 -17.569 -6.117 1.00 0.00 C ATOM 1104 OE1 GLU A 75 0.512 -18.354 -5.373 1.00 0.00 O ATOM 1105 OE2 GLU A 75 -0.749 -17.941 -7.125 1.00 0.00 O ATOM 0 H GLU A 75 -2.052 -15.390 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.631 -17.268 -5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.217 -14.617 -4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.973 -16.113 -3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.203 -15.511 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.868 -15.831 -5.345 1.00 0.00 H new ATOM 1112 N SER A 76 -4.331 -16.469 -3.573 1.00 0.00 N ATOM 1113 CA SER A 76 -5.374 -16.040 -2.650 1.00 0.00 C ATOM 1114 C SER A 76 -4.815 -15.080 -1.605 1.00 0.00 C ATOM 1115 O SER A 76 -5.551 -14.292 -1.011 1.00 0.00 O ATOM 1116 CB SER A 76 -6.004 -17.252 -1.960 1.00 0.00 C ATOM 1117 OG SER A 76 -5.057 -17.925 -1.148 1.00 0.00 O ATOM 0 H SER A 76 -4.177 -17.477 -3.596 1.00 0.00 H new ATOM 0 HA SER A 76 -6.140 -15.518 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.847 -16.929 -1.350 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.397 -17.938 -2.710 1.00 0.00 H new ATOM 0 HG SER A 76 -5.484 -18.694 -0.717 1.00 0.00 H new ATOM 1123 N VAL A 77 -3.505 -15.152 -1.385 1.00 0.00 N ATOM 1124 CA VAL A 77 -2.845 -14.289 -0.413 1.00 0.00 C ATOM 1125 C VAL A 77 -2.902 -12.829 -0.847 1.00 0.00 C ATOM 1126 O VAL A 77 -3.076 -11.932 -0.021 1.00 0.00 O ATOM 1127 CB VAL A 77 -1.373 -14.696 -0.211 1.00 0.00 C ATOM 1128 CG1 VAL A 77 -0.619 -14.648 -1.531 1.00 0.00 C ATOM 1129 CG2 VAL A 77 -0.710 -13.799 0.824 1.00 0.00 C ATOM 0 H VAL A 77 -2.881 -15.799 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.380 -14.406 0.530 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.345 -15.721 0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.419 -14.939 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.081 -15.335 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.653 -13.635 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.329 -14.100 0.954 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.748 -12.764 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.236 -13.890 1.774 1.00 0.00 H new ATOM 1139 N TRP A 78 -2.754 -12.597 -2.146 1.00 0.00 N ATOM 1140 CA TRP A 78 -2.789 -11.244 -2.689 1.00 0.00 C ATOM 1141 C TRP A 78 -4.218 -10.714 -2.738 1.00 0.00 C ATOM 1142 O TRP A 78 -4.478 -9.569 -2.371 1.00 0.00 O ATOM 1143 CB TRP A 78 -2.175 -11.219 -4.090 1.00 0.00 C ATOM 1144 CG TRP A 78 -0.680 -11.107 -4.080 1.00 0.00 C ATOM 1145 CD1 TRP A 78 0.215 -12.045 -4.507 1.00 0.00 C ATOM 1146 CD2 TRP A 78 0.092 -9.993 -3.621 1.00 0.00 C ATOM 1147 NE1 TRP A 78 1.498 -11.583 -4.340 1.00 0.00 N ATOM 1148 CE2 TRP A 78 1.449 -10.325 -3.799 1.00 0.00 C ATOM 1149 CE3 TRP A 78 -0.230 -8.746 -3.077 1.00 0.00 C ATOM 1150 CZ2 TRP A 78 2.481 -9.456 -3.451 1.00 0.00 C ATOM 1151 CZ3 TRP A 78 0.795 -7.885 -2.733 1.00 0.00 C ATOM 1152 CH2 TRP A 78 2.136 -8.242 -2.922 1.00 0.00 C ATOM 0 H TRP A 78 -2.609 -13.328 -2.843 1.00 0.00 H new ATOM 0 HA TRP A 78 -2.205 -10.600 -2.032 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -2.461 -12.127 -4.621 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -2.592 -10.380 -4.647 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -0.047 -13.009 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.348 -12.093 -4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -1.261 -8.461 -2.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 3.516 -9.731 -3.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.558 -6.920 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A 78 2.913 -7.545 -2.645 1.00 0.00 H new ATOM 1163 N ASN A 79 -5.142 -11.554 -3.195 1.00 0.00 N ATOM 1164 CA ASN A 79 -6.544 -11.169 -3.291 1.00 0.00 C ATOM 1165 C ASN A 79 -7.124 -10.873 -1.910 1.00 0.00 C ATOM 1166 O ASN A 79 -7.853 -9.898 -1.728 1.00 0.00 O ATOM 1167 CB ASN A 79 -7.353 -12.276 -3.969 1.00 0.00 C ATOM 1168 CG ASN A 79 -6.951 -12.482 -5.417 1.00 0.00 C ATOM 1169 OD1 ASN A 79 -7.426 -11.781 -6.310 1.00 0.00 O ATOM 1170 ND2 ASN A 79 -6.071 -13.448 -5.655 1.00 0.00 N ATOM 0 H ASN A 79 -4.944 -12.506 -3.504 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.605 -10.262 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.218 -13.209 -3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.413 -12.029 -3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.763 -13.633 -6.609 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.703 -14.005 -4.883 1.00 0.00 H new ATOM 1177 N MET A 80 -6.794 -11.722 -0.942 1.00 0.00 N ATOM 1178 CA MET A 80 -7.281 -11.551 0.422 1.00 0.00 C ATOM 1179 C MET A 80 -6.600 -10.364 1.096 1.00 0.00 C ATOM 1180 O MET A 80 -7.244 -9.580 1.793 1.00 0.00 O ATOM 1181 CB MET A 80 -7.038 -12.823 1.236 1.00 0.00 C ATOM 1182 CG MET A 80 -7.860 -14.012 0.764 1.00 0.00 C ATOM 1183 SD MET A 80 -9.489 -14.079 1.534 1.00 0.00 S ATOM 1184 CE MET A 80 -9.074 -14.740 3.147 1.00 0.00 C ATOM 0 H MET A 80 -6.192 -12.534 -1.077 1.00 0.00 H new ATOM 0 HA MET A 80 -8.353 -11.356 0.378 1.00 0.00 H new ATOM 0 HB2 MET A 80 -5.980 -13.080 1.186 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.269 -12.625 2.283 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.976 -13.962 -0.319 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.320 -14.933 0.985 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.714 -15.595 3.366 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.031 -15.057 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.224 -13.971 3.905 1.00 0.00 H new ATOM 1194 N ALA A 81 -5.293 -10.237 0.885 1.00 0.00 N ATOM 1195 CA ALA A 81 -4.527 -9.146 1.471 1.00 0.00 C ATOM 1196 C ALA A 81 -5.111 -7.793 1.078 1.00 0.00 C ATOM 1197 O ALA A 81 -5.385 -6.951 1.935 1.00 0.00 O ATOM 1198 CB ALA A 81 -3.069 -9.236 1.046 1.00 0.00 C ATOM 0 H ALA A 81 -4.744 -10.877 0.312 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.584 -9.237 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.509 -8.414 1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.650 -10.185 1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.002 -9.174 -0.040 1.00 0.00 H new ATOM 1204 N PHE A 82 -5.297 -7.588 -0.221 1.00 0.00 N ATOM 1205 CA PHE A 82 -5.847 -6.335 -0.727 1.00 0.00 C ATOM 1206 C PHE A 82 -7.156 -5.992 -0.022 1.00 0.00 C ATOM 1207 O PHE A 82 -7.341 -4.872 0.457 1.00 0.00 O ATOM 1208 CB PHE A 82 -6.076 -6.427 -2.236 1.00 0.00 C ATOM 1209 CG PHE A 82 -6.818 -5.251 -2.803 1.00 0.00 C ATOM 1210 CD1 PHE A 82 -6.385 -3.958 -2.558 1.00 0.00 C ATOM 1211 CD2 PHE A 82 -7.951 -5.437 -3.581 1.00 0.00 C ATOM 1212 CE1 PHE A 82 -7.067 -2.874 -3.077 1.00 0.00 C ATOM 1213 CE2 PHE A 82 -8.636 -4.357 -4.103 1.00 0.00 C ATOM 1214 CZ PHE A 82 -8.193 -3.074 -3.852 1.00 0.00 C ATOM 0 H PHE A 82 -5.075 -8.273 -0.943 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.127 -5.542 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.112 -6.514 -2.737 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.633 -7.338 -2.456 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.504 -3.795 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.302 -6.439 -3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.720 -1.871 -2.877 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.517 -4.516 -4.707 1.00 0.00 H new ATOM 0 HZ PHE A 82 -8.726 -2.228 -4.261 1.00 0.00 H new ATOM 1224 N ASP A 83 -8.061 -6.962 0.038 1.00 0.00 N ATOM 1225 CA ASP A 83 -9.353 -6.765 0.684 1.00 0.00 C ATOM 1226 C ASP A 83 -9.176 -6.206 2.093 1.00 0.00 C ATOM 1227 O ASP A 83 -9.930 -5.334 2.525 1.00 0.00 O ATOM 1228 CB ASP A 83 -10.128 -8.082 0.738 1.00 0.00 C ATOM 1229 CG ASP A 83 -11.615 -7.871 0.941 1.00 0.00 C ATOM 1230 OD1 ASP A 83 -12.013 -6.735 1.274 1.00 0.00 O ATOM 1231 OD2 ASP A 83 -12.381 -8.842 0.768 1.00 0.00 O ATOM 0 H ASP A 83 -7.924 -7.894 -0.353 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.920 -6.044 0.094 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.965 -8.634 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -9.737 -8.697 1.549 1.00 0.00 H new ATOM 1236 N PHE A 84 -8.176 -6.715 2.804 1.00 0.00 N ATOM 1237 CA PHE A 84 -7.901 -6.269 4.165 1.00 0.00 C ATOM 1238 C PHE A 84 -7.230 -4.898 4.162 1.00 0.00 C ATOM 1239 O PHE A 84 -7.562 -4.032 4.973 1.00 0.00 O ATOM 1240 CB PHE A 84 -7.012 -7.284 4.887 1.00 0.00 C ATOM 1241 CG PHE A 84 -6.578 -6.836 6.254 1.00 0.00 C ATOM 1242 CD1 PHE A 84 -5.433 -6.072 6.415 1.00 0.00 C ATOM 1243 CD2 PHE A 84 -7.316 -7.176 7.375 1.00 0.00 C ATOM 1244 CE1 PHE A 84 -5.031 -5.659 7.672 1.00 0.00 C ATOM 1245 CE2 PHE A 84 -6.920 -6.765 8.634 1.00 0.00 C ATOM 1246 CZ PHE A 84 -5.776 -6.005 8.782 1.00 0.00 C ATOM 0 H PHE A 84 -7.542 -7.437 2.461 1.00 0.00 H new ATOM 0 HA PHE A 84 -8.851 -6.188 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -7.550 -8.228 4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -6.128 -7.478 4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -4.849 -5.796 5.550 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -8.212 -7.769 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.135 -5.066 7.785 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -7.504 -7.038 9.501 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.465 -5.682 9.764 1.00 0.00 H new ATOM 1256 N ILE A 85 -6.285 -4.711 3.248 1.00 0.00 N ATOM 1257 CA ILE A 85 -5.568 -3.446 3.140 1.00 0.00 C ATOM 1258 C ILE A 85 -6.523 -2.295 2.848 1.00 0.00 C ATOM 1259 O ILE A 85 -6.567 -1.307 3.583 1.00 0.00 O ATOM 1260 CB ILE A 85 -4.495 -3.500 2.036 1.00 0.00 C ATOM 1261 CG1 ILE A 85 -3.478 -4.604 2.337 1.00 0.00 C ATOM 1262 CG2 ILE A 85 -3.799 -2.153 1.907 1.00 0.00 C ATOM 1263 CD1 ILE A 85 -2.917 -5.262 1.096 1.00 0.00 C ATOM 0 H ILE A 85 -5.998 -5.418 2.572 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.082 -3.276 4.101 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.982 -3.728 1.088 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.657 -4.183 2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.952 -5.364 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.044 -2.207 1.123 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -4.532 -1.388 1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.322 -1.898 2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.203 -6.034 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.728 -5.713 0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.414 -4.514 0.483 1.00 0.00 H new ATOM 1275 N LEU A 86 -7.291 -2.428 1.771 1.00 0.00 N ATOM 1276 CA LEU A 86 -8.249 -1.400 1.381 1.00 0.00 C ATOM 1277 C LEU A 86 -9.305 -1.202 2.464 1.00 0.00 C ATOM 1278 O LEU A 86 -9.733 -0.079 2.730 1.00 0.00 O ATOM 1279 CB LEU A 86 -8.921 -1.776 0.060 1.00 0.00 C ATOM 1280 CG LEU A 86 -9.903 -2.947 0.116 1.00 0.00 C ATOM 1281 CD1 LEU A 86 -11.302 -2.456 0.456 1.00 0.00 C ATOM 1282 CD2 LEU A 86 -9.908 -3.703 -1.205 1.00 0.00 C ATOM 0 H LEU A 86 -7.268 -3.239 1.152 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.707 -0.463 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -9.451 -0.901 -0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -8.143 -2.015 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 86 -9.579 -3.630 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.987 -3.304 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -11.288 -1.960 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.636 -1.752 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.612 -4.533 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.206 -3.030 -2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.909 -4.089 -1.407 1.00 0.00 H new ATOM 1294 N ASP A 87 -9.718 -2.300 3.088 1.00 0.00 N ATOM 1295 CA ASP A 87 -10.722 -2.247 4.145 1.00 0.00 C ATOM 1296 C ASP A 87 -10.201 -1.468 5.350 1.00 0.00 C ATOM 1297 O ASP A 87 -10.967 -0.812 6.055 1.00 0.00 O ATOM 1298 CB ASP A 87 -11.122 -3.661 4.569 1.00 0.00 C ATOM 1299 CG ASP A 87 -12.053 -3.664 5.766 1.00 0.00 C ATOM 1300 OD1 ASP A 87 -11.576 -3.407 6.890 1.00 0.00 O ATOM 1301 OD2 ASP A 87 -13.260 -3.922 5.576 1.00 0.00 O ATOM 0 H ASP A 87 -9.373 -3.237 2.880 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.600 -1.732 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -11.608 -4.164 3.733 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -10.225 -4.233 4.808 1.00 0.00 H new ATOM 1306 N ASN A 88 -8.895 -1.547 5.579 1.00 0.00 N ATOM 1307 CA ASN A 88 -8.271 -0.851 6.700 1.00 0.00 C ATOM 1308 C ASN A 88 -8.277 0.657 6.474 1.00 0.00 C ATOM 1309 O ASN A 88 -8.629 1.428 7.366 1.00 0.00 O ATOM 1310 CB ASN A 88 -6.837 -1.344 6.899 1.00 0.00 C ATOM 1311 CG ASN A 88 -6.756 -2.517 7.856 1.00 0.00 C ATOM 1312 OD1 ASN A 88 -5.907 -2.548 8.748 1.00 0.00 O ATOM 1313 ND2 ASN A 88 -7.641 -3.490 7.676 1.00 0.00 N ATOM 0 H ASN A 88 -8.247 -2.086 5.004 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.849 -1.068 7.598 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -6.419 -1.635 5.935 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.224 -0.526 7.278 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -7.635 -4.305 8.290 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.327 -3.423 6.924 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.884 1.072 5.274 1.00 0.00 N ATOM 1321 CA VAL A 89 -7.845 2.488 4.929 1.00 0.00 C ATOM 1322 C VAL A 89 -9.251 3.050 4.756 1.00 0.00 C ATOM 1323 O VAL A 89 -9.493 4.231 5.008 1.00 0.00 O ATOM 1324 CB VAL A 89 -7.045 2.729 3.635 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -5.604 2.274 3.806 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -7.701 2.017 2.463 1.00 0.00 C ATOM 0 H VAL A 89 -7.588 0.447 4.524 1.00 0.00 H new ATOM 0 HA VAL A 89 -7.350 3.001 5.754 1.00 0.00 H new ATOM 0 HB VAL A 89 -7.041 3.799 3.425 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.054 2.452 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.140 2.834 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.584 1.210 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.122 2.198 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.737 0.946 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.714 2.396 2.328 1.00 0.00 H new ATOM 1336 N GLN A 90 -10.175 2.198 4.324 1.00 0.00 N ATOM 1337 CA GLN A 90 -11.558 2.611 4.118 1.00 0.00 C ATOM 1338 C GLN A 90 -12.289 2.751 5.449 1.00 0.00 C ATOM 1339 O GLN A 90 -13.158 3.608 5.604 1.00 0.00 O ATOM 1340 CB GLN A 90 -12.285 1.604 3.226 1.00 0.00 C ATOM 1341 CG GLN A 90 -11.843 1.648 1.772 1.00 0.00 C ATOM 1342 CD GLN A 90 -12.534 2.744 0.986 1.00 0.00 C ATOM 1343 OE1 GLN A 90 -13.529 2.501 0.303 1.00 0.00 O ATOM 1344 NE2 GLN A 90 -12.009 3.960 1.077 1.00 0.00 N ATOM 0 H GLN A 90 -9.991 1.218 4.110 1.00 0.00 H new ATOM 0 HA GLN A 90 -11.551 3.583 3.625 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -12.120 0.600 3.617 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.357 1.794 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -10.764 1.799 1.728 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.049 0.685 1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.183 4.117 1.655 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.431 4.737 0.569 1.00 0.00 H new ATOM 1353 N VAL A 91 -11.932 1.900 6.406 1.00 0.00 N ATOM 1354 CA VAL A 91 -12.554 1.929 7.724 1.00 0.00 C ATOM 1355 C VAL A 91 -12.057 3.117 8.541 1.00 0.00 C ATOM 1356 O VAL A 91 -12.849 3.863 9.118 1.00 0.00 O ATOM 1357 CB VAL A 91 -12.275 0.631 8.505 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -12.563 0.826 9.986 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -13.098 -0.517 7.940 1.00 0.00 C ATOM 0 H VAL A 91 -11.216 1.183 6.293 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.628 2.025 7.565 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.220 0.381 8.395 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.360 -0.102 10.521 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.926 1.619 10.379 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -13.609 1.101 10.120 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.889 -1.426 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.158 -0.277 8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.837 -0.671 6.893 1.00 0.00 H new ATOM 1369 N VAL A 92 -10.739 3.288 8.585 1.00 0.00 N ATOM 1370 CA VAL A 92 -10.136 4.386 9.330 1.00 0.00 C ATOM 1371 C VAL A 92 -10.735 5.726 8.916 1.00 0.00 C ATOM 1372 O VAL A 92 -11.035 6.572 9.760 1.00 0.00 O ATOM 1373 CB VAL A 92 -8.610 4.434 9.122 1.00 0.00 C ATOM 1374 CG1 VAL A 92 -8.274 4.473 7.639 1.00 0.00 C ATOM 1375 CG2 VAL A 92 -8.011 5.630 9.845 1.00 0.00 C ATOM 0 H VAL A 92 -10.069 2.680 8.113 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.347 4.206 10.384 1.00 0.00 H new ATOM 0 HB VAL A 92 -8.175 3.528 9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.192 4.507 7.512 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.669 3.581 7.153 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.720 5.359 7.188 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.933 5.648 9.687 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.450 6.548 9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.220 5.552 10.912 1.00 0.00 H new ATOM 1385 N LEU A 93 -10.910 5.913 7.613 1.00 0.00 N ATOM 1386 CA LEU A 93 -11.475 7.150 7.086 1.00 0.00 C ATOM 1387 C LEU A 93 -12.977 7.214 7.342 1.00 0.00 C ATOM 1388 O LEU A 93 -13.552 8.297 7.448 1.00 0.00 O ATOM 1389 CB LEU A 93 -11.196 7.262 5.585 1.00 0.00 C ATOM 1390 CG LEU A 93 -12.267 6.688 4.659 1.00 0.00 C ATOM 1391 CD1 LEU A 93 -13.316 7.740 4.338 1.00 0.00 C ATOM 1392 CD2 LEU A 93 -11.635 6.155 3.381 1.00 0.00 C ATOM 0 H LEU A 93 -10.669 5.223 6.901 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.001 7.986 7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -11.058 8.315 5.339 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -10.253 6.759 5.373 1.00 0.00 H new ATOM 0 HG LEU A 93 -12.758 5.861 5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -14.070 7.312 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -13.790 8.075 5.261 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -12.841 8.589 3.845 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.412 5.750 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -11.118 6.965 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.922 5.369 3.628 1.00 0.00 H new ATOM 1404 N GLN A 94 -13.606 6.047 7.439 1.00 0.00 N ATOM 1405 CA GLN A 94 -15.042 5.971 7.685 1.00 0.00 C ATOM 1406 C GLN A 94 -15.381 6.459 9.089 1.00 0.00 C ATOM 1407 O GLN A 94 -16.501 6.894 9.350 1.00 0.00 O ATOM 1408 CB GLN A 94 -15.537 4.536 7.496 1.00 0.00 C ATOM 1409 CG GLN A 94 -16.942 4.303 8.031 1.00 0.00 C ATOM 1410 CD GLN A 94 -17.463 2.916 7.713 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -18.592 2.757 7.246 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -16.643 1.902 7.966 1.00 0.00 N ATOM 0 H GLN A 94 -13.144 5.142 7.351 1.00 0.00 H new ATOM 0 HA GLN A 94 -15.543 6.618 6.966 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -15.516 4.290 6.434 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -14.849 3.854 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -16.945 4.449 9.111 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -17.617 5.047 7.607 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -15.716 2.080 8.353 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -16.940 0.945 7.773 1.00 0.00 H new ATOM 1421 N GLN A 95 -14.405 6.383 9.988 1.00 0.00 N ATOM 1422 CA GLN A 95 -14.601 6.815 11.367 1.00 0.00 C ATOM 1423 C GLN A 95 -14.491 8.332 11.482 1.00 0.00 C ATOM 1424 O GLN A 95 -15.184 8.958 12.285 1.00 0.00 O ATOM 1425 CB GLN A 95 -13.577 6.147 12.285 1.00 0.00 C ATOM 1426 CG GLN A 95 -13.519 4.636 12.133 1.00 0.00 C ATOM 1427 CD GLN A 95 -13.115 3.935 13.415 1.00 0.00 C ATOM 1428 OE1 GLN A 95 -13.959 3.605 14.249 1.00 0.00 O ATOM 1429 NE2 GLN A 95 -11.817 3.704 13.580 1.00 0.00 N ATOM 0 H GLN A 95 -13.471 6.026 9.786 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.603 6.516 11.675 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.591 6.563 12.079 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.816 6.391 13.320 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.495 4.269 11.815 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.810 4.381 11.345 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.152 3.994 12.863 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.485 3.236 14.424 1.00 0.00 H new ATOM 1438 N THR A 96 -13.615 8.920 10.673 1.00 0.00 N ATOM 1439 CA THR A 96 -13.412 10.363 10.685 1.00 0.00 C ATOM 1440 C THR A 96 -14.404 11.065 9.764 1.00 0.00 C ATOM 1441 O THR A 96 -14.821 12.193 10.029 1.00 0.00 O ATOM 1442 CB THR A 96 -11.980 10.734 10.256 1.00 0.00 C ATOM 1443 OG1 THR A 96 -11.718 12.108 10.559 1.00 0.00 O ATOM 1444 CG2 THR A 96 -11.781 10.491 8.767 1.00 0.00 C ATOM 0 H THR A 96 -13.035 8.418 10.001 1.00 0.00 H new ATOM 0 HA THR A 96 -13.573 10.696 11.710 1.00 0.00 H new ATOM 0 HB THR A 96 -11.284 10.102 10.808 1.00 0.00 H new ATOM 0 HG1 THR A 96 -10.805 12.335 10.285 1.00 0.00 H new ATOM 0 HG21 THR A 96 -10.762 10.760 8.487 1.00 0.00 H new ATOM 0 HG22 THR A 96 -11.952 9.438 8.544 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.486 11.101 8.201 1.00 0.00 H new ATOM 1452 N TYR A 97 -14.779 10.392 8.683 1.00 0.00 N ATOM 1453 CA TYR A 97 -15.721 10.952 7.721 1.00 0.00 C ATOM 1454 C TYR A 97 -17.137 10.454 7.992 1.00 0.00 C ATOM 1455 O TYR A 97 -18.068 11.245 8.135 1.00 0.00 O ATOM 1456 CB TYR A 97 -15.304 10.587 6.294 1.00 0.00 C ATOM 1457 CG TYR A 97 -14.150 11.411 5.771 1.00 0.00 C ATOM 1458 CD1 TYR A 97 -14.344 12.718 5.341 1.00 0.00 C ATOM 1459 CD2 TYR A 97 -12.867 10.883 5.704 1.00 0.00 C ATOM 1460 CE1 TYR A 97 -13.293 13.476 4.860 1.00 0.00 C ATOM 1461 CE2 TYR A 97 -11.810 11.634 5.227 1.00 0.00 C ATOM 1462 CZ TYR A 97 -12.028 12.929 4.806 1.00 0.00 C ATOM 1463 OH TYR A 97 -10.978 13.679 4.328 1.00 0.00 O ATOM 0 H TYR A 97 -14.445 9.457 8.450 1.00 0.00 H new ATOM 0 HA TYR A 97 -15.710 12.037 7.829 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -15.030 9.532 6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -16.160 10.713 5.631 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -15.333 13.149 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -12.693 9.868 6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -13.461 14.490 4.529 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.818 11.209 5.184 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.231 13.637 4.961 1.00 0.00 H new ATOM 1473 N GLY A 98 -17.291 9.136 8.063 1.00 0.00 N ATOM 1474 CA GLY A 98 -18.595 8.554 8.318 1.00 0.00 C ATOM 1475 C GLY A 98 -18.987 7.529 7.272 1.00 0.00 C ATOM 1476 O GLY A 98 -19.850 6.685 7.512 1.00 0.00 O ATOM 0 H GLY A 98 -16.535 8.460 7.948 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.593 8.083 9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -19.344 9.346 8.345 1.00 0.00 H new ATOM 1480 N SER A 99 -18.354 7.604 6.105 1.00 0.00 N ATOM 1481 CA SER A 99 -18.646 6.680 5.016 1.00 0.00 C ATOM 1482 C SER A 99 -17.358 6.194 4.357 1.00 0.00 C ATOM 1483 O SER A 99 -16.257 6.540 4.787 1.00 0.00 O ATOM 1484 CB SER A 99 -19.543 7.352 3.976 1.00 0.00 C ATOM 1485 OG SER A 99 -20.619 8.035 4.594 1.00 0.00 O ATOM 0 H SER A 99 -17.636 8.295 5.890 1.00 0.00 H new ATOM 0 HA SER A 99 -19.168 5.819 5.432 1.00 0.00 H new ATOM 0 HB2 SER A 99 -18.955 8.053 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 99 -19.932 6.602 3.288 1.00 0.00 H new ATOM 0 HG SER A 99 -21.176 8.457 3.907 1.00 0.00 H new ATOM 1491 N THR A 100 -17.505 5.389 3.309 1.00 0.00 N ATOM 1492 CA THR A 100 -16.356 4.854 2.590 1.00 0.00 C ATOM 1493 C THR A 100 -16.439 5.178 1.103 1.00 0.00 C ATOM 1494 O THR A 100 -17.419 5.761 0.636 1.00 0.00 O ATOM 1495 CB THR A 100 -16.244 3.328 2.766 1.00 0.00 C ATOM 1496 OG1 THR A 100 -17.402 2.685 2.220 1.00 0.00 O ATOM 1497 CG2 THR A 100 -16.101 2.962 4.235 1.00 0.00 C ATOM 0 H THR A 100 -18.409 5.094 2.940 1.00 0.00 H new ATOM 0 HA THR A 100 -15.470 5.327 3.013 1.00 0.00 H new ATOM 0 HB THR A 100 -15.355 2.988 2.234 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.322 1.715 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.024 1.879 4.334 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.203 3.429 4.641 1.00 0.00 H new ATOM 0 HG23 THR A 100 -16.973 3.315 4.785 1.00 0.00 H new ATOM 1505 N LEU A 101 -15.406 4.795 0.360 1.00 0.00 N ATOM 1506 CA LEU A 101 -15.361 5.044 -1.077 1.00 0.00 C ATOM 1507 C LEU A 101 -16.038 3.914 -1.847 1.00 0.00 C ATOM 1508 O LEU A 101 -16.156 2.793 -1.348 1.00 0.00 O ATOM 1509 CB LEU A 101 -13.914 5.199 -1.543 1.00 0.00 C ATOM 1510 CG LEU A 101 -13.217 6.502 -1.148 1.00 0.00 C ATOM 1511 CD1 LEU A 101 -11.713 6.384 -1.343 1.00 0.00 C ATOM 1512 CD2 LEU A 101 -13.770 7.668 -1.954 1.00 0.00 C ATOM 0 H LEU A 101 -14.588 4.311 0.729 1.00 0.00 H new ATOM 0 HA LEU A 101 -15.901 5.969 -1.277 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -13.334 4.366 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -13.892 5.114 -2.629 1.00 0.00 H new ATOM 0 HG LEU A 101 -13.412 6.690 -0.092 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -11.234 7.321 -1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -11.328 5.575 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -11.497 6.172 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -13.263 8.587 -1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.605 7.487 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -14.839 7.767 -1.764 1.00 0.00 H new ATOM 1524 N LYS A 102 -16.478 4.214 -3.063 1.00 0.00 N ATOM 1525 CA LYS A 102 -17.139 3.223 -3.904 1.00 0.00 C ATOM 1526 C LYS A 102 -16.124 2.471 -4.760 1.00 0.00 C ATOM 1527 O LYS A 102 -15.596 3.011 -5.733 1.00 0.00 O ATOM 1528 CB LYS A 102 -18.178 3.898 -4.802 1.00 0.00 C ATOM 1529 CG LYS A 102 -19.222 2.940 -5.349 1.00 0.00 C ATOM 1530 CD LYS A 102 -18.679 2.128 -6.512 1.00 0.00 C ATOM 1531 CE LYS A 102 -18.158 3.025 -7.625 1.00 0.00 C ATOM 1532 NZ LYS A 102 -19.097 4.143 -7.920 1.00 0.00 N ATOM 0 H LYS A 102 -16.389 5.136 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 102 -17.640 2.507 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.679 4.684 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -17.667 4.380 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -19.551 2.267 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -20.098 3.502 -5.674 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.877 1.479 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.464 1.481 -6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -17.187 3.431 -7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.003 2.433 -8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -18.957 4.465 -8.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -20.076 3.814 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -18.914 4.931 -7.267 1.00 0.00 H new