USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 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 112 SER OG : rot 0:sc= 0.498! USER MOD Set 1.2: A 115 THR OG1 : rot -131:sc= 0.527! USER MOD Set 2.1: A 69 HIS :FLIP no HE2:sc= -0.0781 F(o=-0.35,f=0.92) USER MOD Set 2.2: A 85 SER OG : rot 174:sc= 1 USER MOD Set 3.1: A 40 SER OG : rot 108:sc= -0.765! USER MOD Set 3.2: A 134 LYS NZ :NH3+ -167:sc= 0.309 (180deg=0) USER MOD Set 4.1: A 11 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 12 HIS :FLIP no HD1:sc= -3.8! C(o=-4.4!,f=-3.8!) USER MOD Single : A 6 SER OG : rot 20:sc= 0.582 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.463 USER MOD Single : A 19 SER OG : rot 180:sc= -0.386 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0718 (180deg=-0.608) USER MOD Single : A 22 SER OG : rot -75:sc= 0.523 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0954 USER MOD Single : A 37 ASN :FLIP amide:sc= -3.09! C(o=-5!,f=-3.1!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -54:sc= 0.816 USER MOD Single : A 51 SER OG : rot 128:sc= 0.506 USER MOD Single : A 52 SER OG : rot -61:sc= 1.3 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot -29:sc= 0.805 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 149:sc= 0 (180deg=-0.0139) USER MOD Single : A 91 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.0048) USER MOD Single : A 92 TYR OH : rot 180:sc=-0.000166 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot -91:sc= 0.379! USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 124:sc= 1.19 (180deg=0.453) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.29 K(o=-0.29,f=-3.7!) USER MOD Single : A 126 ASN : amide:sc= -0.573 K(o=-0.57,f=-2.7!) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.0593 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.314 15.325 0.542 1.00 0.00 N ATOM 81 CA SER A 6 -5.470 14.625 1.557 1.00 0.00 C ATOM 82 C SER A 6 -6.320 14.322 2.796 1.00 0.00 C ATOM 83 O SER A 6 -7.142 15.121 3.199 1.00 0.00 O ATOM 84 CB SER A 6 -4.287 15.515 1.947 1.00 0.00 C ATOM 85 OG SER A 6 -3.840 16.225 0.800 1.00 0.00 O ATOM 0 HA SER A 6 -5.091 13.693 1.137 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.584 16.214 2.729 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.478 14.908 2.352 1.00 0.00 H new ATOM 0 HG SER A 6 -4.552 16.239 0.126 1.00 0.00 H new ATOM 91 N LYS A 7 -6.135 13.174 3.399 1.00 0.00 N ATOM 92 CA LYS A 7 -6.943 12.822 4.611 1.00 0.00 C ATOM 93 C LYS A 7 -6.005 12.434 5.753 1.00 0.00 C ATOM 94 O LYS A 7 -5.084 11.666 5.573 1.00 0.00 O ATOM 95 CB LYS A 7 -7.864 11.638 4.290 1.00 0.00 C ATOM 96 CG LYS A 7 -8.757 11.968 3.080 1.00 0.00 C ATOM 97 CD LYS A 7 -10.179 12.298 3.548 1.00 0.00 C ATOM 98 CE LYS A 7 -10.165 13.586 4.376 1.00 0.00 C ATOM 99 NZ LYS A 7 -11.548 14.132 4.470 1.00 0.00 N ATOM 0 H LYS A 7 -5.462 12.466 3.107 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.544 13.682 4.905 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.267 10.751 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.484 11.406 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.341 12.813 2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.779 11.122 2.393 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.837 12.415 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.576 11.476 4.144 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.773 13.385 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.504 14.320 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.538 15.007 5.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -11.906 14.338 3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.167 13.433 4.928 1.00 0.00 H new ATOM 113 N ALA A 8 -6.229 12.955 6.929 1.00 0.00 N ATOM 114 CA ALA A 8 -5.343 12.608 8.078 1.00 0.00 C ATOM 115 C ALA A 8 -5.831 11.319 8.740 1.00 0.00 C ATOM 116 O ALA A 8 -6.974 10.931 8.606 1.00 0.00 O ATOM 117 CB ALA A 8 -5.363 13.744 9.104 1.00 0.00 C ATOM 0 H ALA A 8 -6.985 13.605 7.144 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.326 12.463 7.712 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.715 13.488 9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.007 14.662 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.381 13.891 9.464 1.00 0.00 H new ATOM 123 N TYR A 9 -4.965 10.654 9.455 1.00 0.00 N ATOM 124 CA TYR A 9 -5.366 9.389 10.131 1.00 0.00 C ATOM 125 C TYR A 9 -4.239 8.936 11.064 1.00 0.00 C ATOM 126 O TYR A 9 -3.083 8.914 10.690 1.00 0.00 O ATOM 127 CB TYR A 9 -5.628 8.308 9.080 1.00 0.00 C ATOM 128 CG TYR A 9 -6.393 7.168 9.708 1.00 0.00 C ATOM 129 CD1 TYR A 9 -7.792 7.203 9.748 1.00 0.00 C ATOM 130 CD2 TYR A 9 -5.705 6.077 10.251 1.00 0.00 C ATOM 131 CE1 TYR A 9 -8.503 6.147 10.330 1.00 0.00 C ATOM 132 CE2 TYR A 9 -6.415 5.020 10.835 1.00 0.00 C ATOM 133 CZ TYR A 9 -7.816 5.055 10.873 1.00 0.00 C ATOM 134 OH TYR A 9 -8.516 4.015 11.448 1.00 0.00 O ATOM 0 H TYR A 9 -3.995 10.934 9.600 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.274 9.555 10.710 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.195 8.725 8.248 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.684 7.946 8.673 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.323 8.045 9.330 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.626 6.050 10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.582 6.175 10.360 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.884 4.179 11.256 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.887 3.338 11.775 1.00 0.00 H new ATOM 144 N GLY A 10 -4.566 8.577 12.274 1.00 0.00 N ATOM 145 CA GLY A 10 -3.510 8.129 13.227 1.00 0.00 C ATOM 146 C GLY A 10 -2.602 9.309 13.576 1.00 0.00 C ATOM 147 O GLY A 10 -2.676 9.862 14.657 1.00 0.00 O ATOM 0 H GLY A 10 -5.516 8.574 12.645 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.968 7.729 14.132 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.924 7.324 12.784 1.00 0.00 H new ATOM 151 N SER A 11 -1.748 9.702 12.672 1.00 0.00 N ATOM 152 CA SER A 11 -0.837 10.848 12.956 1.00 0.00 C ATOM 153 C SER A 11 -0.014 11.169 11.706 1.00 0.00 C ATOM 154 O SER A 11 1.167 11.446 11.783 1.00 0.00 O ATOM 155 CB SER A 11 0.103 10.482 14.105 1.00 0.00 C ATOM 156 OG SER A 11 0.629 9.180 13.883 1.00 0.00 O ATOM 0 H SER A 11 -1.641 9.280 11.750 1.00 0.00 H new ATOM 0 HA SER A 11 -1.429 11.720 13.235 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.913 11.208 14.173 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.433 10.514 15.053 1.00 0.00 H new ATOM 0 HG SER A 11 1.234 8.942 14.617 1.00 0.00 H new ATOM 162 N HIS A 12 -0.628 11.137 10.553 1.00 0.00 N ATOM 163 CA HIS A 12 0.106 11.440 9.303 1.00 0.00 C ATOM 164 C HIS A 12 -0.899 11.914 8.256 1.00 0.00 C ATOM 165 O HIS A 12 -2.009 11.427 8.184 1.00 0.00 O ATOM 166 CB HIS A 12 0.797 10.171 8.801 1.00 0.00 C ATOM 167 CG HIS A 12 1.719 9.636 9.864 1.00 0.00 C ATOM 168 ND1 HIS A 12 1.561 8.643 10.796 1.00 0.00 N flip ATOM 169 CD2 HIS A 12 2.998 10.133 10.052 1.00 0.00 C flip ATOM 170 CE1 HIS A 12 2.722 8.522 11.554 1.00 0.00 C flip ATOM 171 NE2 HIS A 12 3.555 9.445 11.064 1.00 0.00 N flip ATOM 0 H HIS A 12 -1.615 10.911 10.429 1.00 0.00 H new ATOM 0 HA HIS A 12 0.854 12.211 9.484 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.052 9.419 8.541 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.361 10.388 7.894 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.463 10.928 9.488 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.909 7.832 12.363 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.499 9.608 11.415 1.00 0.00 H new ATOM 179 N CYS A 13 -0.527 12.854 7.434 1.00 0.00 N ATOM 180 CA CYS A 13 -1.474 13.334 6.392 1.00 0.00 C ATOM 181 C CYS A 13 -1.357 12.403 5.187 1.00 0.00 C ATOM 182 O CYS A 13 -0.278 12.162 4.682 1.00 0.00 O ATOM 183 CB CYS A 13 -1.115 14.770 5.986 1.00 0.00 C ATOM 184 SG CYS A 13 -2.370 15.911 6.625 1.00 0.00 S ATOM 0 H CYS A 13 0.386 13.308 7.438 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.495 13.330 6.773 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.133 15.035 6.378 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.056 14.848 4.900 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.065 17.128 6.283 1.00 0.00 H new ATOM 189 N TYR A 14 -2.454 11.859 4.735 1.00 0.00 N ATOM 190 CA TYR A 14 -2.393 10.924 3.579 1.00 0.00 C ATOM 191 C TYR A 14 -2.785 11.660 2.301 1.00 0.00 C ATOM 192 O TYR A 14 -3.595 12.562 2.319 1.00 0.00 O ATOM 193 CB TYR A 14 -3.351 9.754 3.818 1.00 0.00 C ATOM 194 CG TYR A 14 -2.887 8.959 5.018 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.990 9.504 6.305 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.353 7.674 4.845 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.561 8.767 7.415 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.927 6.939 5.958 1.00 0.00 C ATOM 199 CZ TYR A 14 -2.031 7.485 7.241 1.00 0.00 C ATOM 200 OH TYR A 14 -1.610 6.758 8.337 1.00 0.00 O ATOM 0 H TYR A 14 -3.386 12.022 5.116 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.377 10.543 3.474 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.362 10.126 3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.387 9.114 2.936 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.401 10.494 6.441 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.270 7.252 3.854 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.639 9.189 8.406 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.517 5.949 5.825 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.269 5.888 8.041 1.00 0.00 H new ATOM 210 N ALA A 15 -2.213 11.282 1.191 1.00 0.00 N ATOM 211 CA ALA A 15 -2.549 11.959 -0.093 1.00 0.00 C ATOM 212 C ALA A 15 -2.506 10.937 -1.231 1.00 0.00 C ATOM 213 O ALA A 15 -1.538 10.226 -1.406 1.00 0.00 O ATOM 214 CB ALA A 15 -1.534 13.071 -0.366 1.00 0.00 C ATOM 0 H ALA A 15 -1.526 10.532 1.118 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.548 12.390 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.780 13.566 -1.305 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.564 13.798 0.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.534 12.642 -0.433 1.00 0.00 H new ATOM 220 N LEU A 16 -3.553 10.862 -2.003 1.00 0.00 N ATOM 221 CA LEU A 16 -3.585 9.889 -3.131 1.00 0.00 C ATOM 222 C LEU A 16 -2.989 10.540 -4.382 1.00 0.00 C ATOM 223 O LEU A 16 -3.311 11.662 -4.722 1.00 0.00 O ATOM 224 CB LEU A 16 -5.043 9.485 -3.392 1.00 0.00 C ATOM 225 CG LEU A 16 -5.164 8.743 -4.727 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.271 7.499 -4.718 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.621 8.318 -4.937 1.00 0.00 C ATOM 0 H LEU A 16 -4.391 11.434 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.000 9.004 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.401 8.849 -2.582 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.676 10.372 -3.404 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.849 9.404 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.363 6.978 -5.671 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.234 7.797 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.580 6.835 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.713 7.789 -5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.929 7.660 -4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.259 9.201 -4.951 1.00 0.00 H new ATOM 239 N PHE A 17 -2.132 9.838 -5.076 1.00 0.00 N ATOM 240 CA PHE A 17 -1.519 10.389 -6.310 1.00 0.00 C ATOM 241 C PHE A 17 -1.851 9.441 -7.458 1.00 0.00 C ATOM 242 O PHE A 17 -1.429 8.299 -7.476 1.00 0.00 O ATOM 243 CB PHE A 17 0.002 10.479 -6.132 1.00 0.00 C ATOM 244 CG PHE A 17 0.368 11.823 -5.548 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.405 12.957 -6.370 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.670 11.938 -4.185 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.744 14.203 -5.829 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.009 13.184 -3.645 1.00 0.00 C ATOM 249 CZ PHE A 17 1.045 14.317 -4.467 1.00 0.00 C ATOM 0 H PHE A 17 -1.830 8.895 -4.833 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.904 11.387 -6.518 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.349 9.680 -5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.499 10.342 -7.092 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.172 12.870 -7.421 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.641 11.065 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.773 15.077 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.243 13.272 -2.594 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.305 15.279 -4.050 1.00 0.00 H new ATOM 259 N LEU A 18 -2.598 9.902 -8.415 1.00 0.00 N ATOM 260 CA LEU A 18 -2.953 9.030 -9.561 1.00 0.00 C ATOM 261 C LEU A 18 -1.710 8.855 -10.411 1.00 0.00 C ATOM 262 O LEU A 18 -1.762 8.386 -11.530 1.00 0.00 O ATOM 263 CB LEU A 18 -4.065 9.686 -10.384 1.00 0.00 C ATOM 264 CG LEU A 18 -5.067 10.361 -9.443 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.262 10.871 -10.249 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.551 9.349 -8.400 1.00 0.00 C ATOM 0 H LEU A 18 -2.979 10.847 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.311 8.062 -9.211 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.640 10.421 -11.068 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.570 8.937 -10.994 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.583 11.199 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.975 11.351 -9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.919 11.592 -10.991 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.745 10.034 -10.753 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.264 9.830 -7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.033 8.511 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.700 8.985 -7.824 1.00 0.00 H new ATOM 278 N SER A 19 -0.585 9.236 -9.876 1.00 0.00 N ATOM 279 CA SER A 19 0.681 9.096 -10.654 1.00 0.00 C ATOM 280 C SER A 19 1.342 7.747 -10.328 1.00 0.00 C ATOM 281 O SER A 19 1.637 7.463 -9.185 1.00 0.00 O ATOM 282 CB SER A 19 1.644 10.229 -10.300 1.00 0.00 C ATOM 283 OG SER A 19 1.083 11.021 -9.260 1.00 0.00 O ATOM 0 H SER A 19 -0.485 9.635 -8.943 1.00 0.00 H new ATOM 0 HA SER A 19 0.448 9.143 -11.718 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.603 9.820 -9.983 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.835 10.846 -11.178 1.00 0.00 H new ATOM 0 HG SER A 19 1.701 11.746 -9.032 1.00 0.00 H new ATOM 289 N PRO A 20 1.581 6.926 -11.321 1.00 0.00 N ATOM 290 CA PRO A 20 2.226 5.603 -11.088 1.00 0.00 C ATOM 291 C PRO A 20 3.651 5.746 -10.531 1.00 0.00 C ATOM 292 O PRO A 20 4.344 6.697 -10.829 1.00 0.00 O ATOM 293 CB PRO A 20 2.254 4.992 -12.492 1.00 0.00 C ATOM 294 CG PRO A 20 1.646 5.994 -13.484 1.00 0.00 C ATOM 295 CD PRO A 20 1.223 7.248 -12.728 1.00 0.00 C ATOM 0 HA PRO A 20 1.695 5.000 -10.352 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.278 4.753 -12.778 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.692 4.058 -12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.373 6.247 -14.256 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.787 5.551 -13.988 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.750 8.132 -13.086 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.157 7.446 -12.838 1.00 0.00 H new ATOM 303 N LYS A 21 4.099 4.807 -9.735 1.00 0.00 N ATOM 304 CA LYS A 21 5.482 4.907 -9.180 1.00 0.00 C ATOM 305 C LYS A 21 5.945 3.532 -8.684 1.00 0.00 C ATOM 306 O LYS A 21 5.274 2.889 -7.907 1.00 0.00 O ATOM 307 CB LYS A 21 5.493 5.898 -8.010 1.00 0.00 C ATOM 308 CG LYS A 21 5.496 7.341 -8.534 1.00 0.00 C ATOM 309 CD LYS A 21 6.070 8.273 -7.464 1.00 0.00 C ATOM 310 CE LYS A 21 6.086 9.709 -7.992 1.00 0.00 C ATOM 311 NZ LYS A 21 6.982 9.794 -9.177 1.00 0.00 N ATOM 0 H LYS A 21 3.571 3.983 -9.448 1.00 0.00 H new ATOM 0 HA LYS A 21 6.157 5.254 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.620 5.735 -7.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.372 5.728 -7.389 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.091 7.407 -9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.482 7.647 -8.792 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.470 8.215 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.080 7.961 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.077 10.019 -8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.430 10.390 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.277 10.781 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.822 9.201 -9.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.474 9.459 -10.021 1.00 0.00 H new ATOM 325 N SER A 22 7.093 3.079 -9.115 1.00 0.00 N ATOM 326 CA SER A 22 7.596 1.750 -8.656 1.00 0.00 C ATOM 327 C SER A 22 7.451 1.653 -7.137 1.00 0.00 C ATOM 328 O SER A 22 7.628 2.620 -6.430 1.00 0.00 O ATOM 329 CB SER A 22 9.068 1.610 -9.040 1.00 0.00 C ATOM 330 OG SER A 22 9.217 1.865 -10.430 1.00 0.00 O ATOM 0 H SER A 22 7.705 3.572 -9.766 1.00 0.00 H new ATOM 0 HA SER A 22 7.020 0.954 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.674 2.309 -8.463 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.424 0.608 -8.802 1.00 0.00 H new ATOM 0 HG SER A 22 8.887 1.097 -10.941 1.00 0.00 H new ATOM 336 N TRP A 23 7.132 0.497 -6.623 1.00 0.00 N ATOM 337 CA TRP A 23 6.984 0.366 -5.145 1.00 0.00 C ATOM 338 C TRP A 23 8.243 0.908 -4.479 1.00 0.00 C ATOM 339 O TRP A 23 8.228 1.335 -3.342 1.00 0.00 O ATOM 340 CB TRP A 23 6.814 -1.105 -4.764 1.00 0.00 C ATOM 341 CG TRP A 23 6.700 -1.221 -3.278 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.541 -1.369 -2.598 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.762 -1.200 -2.280 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.823 -1.441 -1.245 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.178 -1.342 -0.999 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.160 -1.075 -2.361 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.954 -1.357 0.161 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.946 -1.091 -1.197 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.343 -1.231 0.062 1.00 0.00 C ATOM 0 H TRP A 23 6.968 -0.357 -7.157 1.00 0.00 H new ATOM 0 HA TRP A 23 6.107 0.924 -4.817 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.924 -1.516 -5.242 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.664 -1.686 -5.121 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.556 -1.422 -3.038 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.116 -1.553 -0.518 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.633 -0.966 -3.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.485 -1.465 1.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.019 -0.995 -1.272 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.951 -1.241 0.954 1.00 0.00 H new ATOM 360 N THR A 24 9.332 0.890 -5.186 1.00 0.00 N ATOM 361 CA THR A 24 10.612 1.395 -4.620 1.00 0.00 C ATOM 362 C THR A 24 10.749 2.881 -4.944 1.00 0.00 C ATOM 363 O THR A 24 11.517 3.600 -4.337 1.00 0.00 O ATOM 364 CB THR A 24 11.773 0.615 -5.241 1.00 0.00 C ATOM 365 OG1 THR A 24 12.968 0.895 -4.528 1.00 0.00 O ATOM 366 CG2 THR A 24 11.940 1.015 -6.706 1.00 0.00 C ATOM 0 H THR A 24 9.393 0.543 -6.143 1.00 0.00 H new ATOM 0 HA THR A 24 10.625 1.261 -3.538 1.00 0.00 H new ATOM 0 HB THR A 24 11.561 -0.453 -5.185 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.711 0.394 -4.925 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.768 0.457 -7.143 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.023 0.791 -7.251 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.148 2.083 -6.770 1.00 0.00 H new ATOM 374 N ASP A 25 10.001 3.336 -5.905 1.00 0.00 N ATOM 375 CA ASP A 25 10.061 4.770 -6.305 1.00 0.00 C ATOM 376 C ASP A 25 9.097 5.570 -5.435 1.00 0.00 C ATOM 377 O ASP A 25 9.408 6.657 -4.986 1.00 0.00 O ATOM 378 CB ASP A 25 9.656 4.909 -7.773 1.00 0.00 C ATOM 379 CG ASP A 25 9.506 6.390 -8.127 1.00 0.00 C ATOM 380 OD1 ASP A 25 10.344 7.168 -7.704 1.00 0.00 O ATOM 381 OD2 ASP A 25 8.555 6.720 -8.817 1.00 0.00 O ATOM 0 H ASP A 25 9.341 2.770 -6.439 1.00 0.00 H new ATOM 0 HA ASP A 25 11.076 5.146 -6.174 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.407 4.446 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.717 4.385 -7.953 1.00 0.00 H new ATOM 386 N ALA A 26 7.940 5.035 -5.169 1.00 0.00 N ATOM 387 CA ALA A 26 6.983 5.752 -4.309 1.00 0.00 C ATOM 388 C ALA A 26 7.506 5.637 -2.889 1.00 0.00 C ATOM 389 O ALA A 26 7.329 6.510 -2.066 1.00 0.00 O ATOM 390 CB ALA A 26 5.615 5.096 -4.426 1.00 0.00 C ATOM 0 H ALA A 26 7.622 4.129 -5.515 1.00 0.00 H new ATOM 0 HA ALA A 26 6.883 6.798 -4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.903 5.623 -3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.278 5.139 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.682 4.055 -4.109 1.00 0.00 H new ATOM 396 N ASP A 27 8.169 4.552 -2.610 1.00 0.00 N ATOM 397 CA ASP A 27 8.740 4.353 -1.261 1.00 0.00 C ATOM 398 C ASP A 27 9.827 5.401 -1.024 1.00 0.00 C ATOM 399 O ASP A 27 9.896 6.019 0.020 1.00 0.00 O ATOM 400 CB ASP A 27 9.352 2.956 -1.197 1.00 0.00 C ATOM 401 CG ASP A 27 10.046 2.758 0.152 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.475 3.159 1.153 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.135 2.211 0.160 1.00 0.00 O ATOM 0 H ASP A 27 8.339 3.791 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 27 7.967 4.454 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.576 2.202 -1.332 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.068 2.825 -2.008 1.00 0.00 H new ATOM 408 N LEU A 28 10.673 5.608 -1.995 1.00 0.00 N ATOM 409 CA LEU A 28 11.763 6.613 -1.839 1.00 0.00 C ATOM 410 C LEU A 28 11.179 8.026 -1.907 1.00 0.00 C ATOM 411 O LEU A 28 11.665 8.939 -1.267 1.00 0.00 O ATOM 412 CB LEU A 28 12.785 6.432 -2.966 1.00 0.00 C ATOM 413 CG LEU A 28 14.041 7.264 -2.672 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.990 6.476 -1.765 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.756 7.589 -3.987 1.00 0.00 C ATOM 0 H LEU A 28 10.657 5.123 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 28 12.249 6.470 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.050 5.379 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.349 6.739 -3.917 1.00 0.00 H new ATOM 0 HG LEU A 28 13.748 8.187 -2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.879 7.074 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.487 6.243 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.281 5.550 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.648 8.180 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.042 6.662 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.087 8.157 -4.634 1.00 0.00 H new ATOM 427 N ALA A 29 10.145 8.219 -2.677 1.00 0.00 N ATOM 428 CA ALA A 29 9.543 9.577 -2.785 1.00 0.00 C ATOM 429 C ALA A 29 8.717 9.881 -1.538 1.00 0.00 C ATOM 430 O ALA A 29 8.958 10.848 -0.850 1.00 0.00 O ATOM 431 CB ALA A 29 8.640 9.643 -4.009 1.00 0.00 C ATOM 0 H ALA A 29 9.691 7.496 -3.236 1.00 0.00 H new ATOM 0 HA ALA A 29 10.343 10.311 -2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.202 10.638 -4.084 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.225 9.436 -4.905 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.846 8.903 -3.915 1.00 0.00 H new ATOM 437 N CYS A 30 7.746 9.065 -1.233 1.00 0.00 N ATOM 438 CA CYS A 30 6.931 9.331 -0.024 1.00 0.00 C ATOM 439 C CYS A 30 7.860 9.304 1.186 1.00 0.00 C ATOM 440 O CYS A 30 7.507 9.727 2.266 1.00 0.00 O ATOM 441 CB CYS A 30 5.850 8.259 0.119 1.00 0.00 C ATOM 442 SG CYS A 30 4.872 8.585 1.608 1.00 0.00 S ATOM 0 H CYS A 30 7.486 8.234 -1.765 1.00 0.00 H new ATOM 0 HA CYS A 30 6.442 10.302 -0.101 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.205 8.258 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.307 7.272 0.180 1.00 0.00 H new ATOM 447 N GLN A 31 9.060 8.821 1.003 1.00 0.00 N ATOM 448 CA GLN A 31 10.022 8.784 2.133 1.00 0.00 C ATOM 449 C GLN A 31 10.632 10.174 2.302 1.00 0.00 C ATOM 450 O GLN A 31 10.982 10.584 3.391 1.00 0.00 O ATOM 451 CB GLN A 31 11.128 7.762 1.842 1.00 0.00 C ATOM 452 CG GLN A 31 12.315 8.001 2.780 1.00 0.00 C ATOM 453 CD GLN A 31 13.222 6.769 2.783 1.00 0.00 C ATOM 454 OE1 GLN A 31 13.431 6.155 3.810 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.772 6.379 1.666 1.00 0.00 N ATOM 0 H GLN A 31 9.412 8.452 0.120 1.00 0.00 H new ATOM 0 HA GLN A 31 9.507 8.491 3.048 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.745 6.750 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.450 7.847 0.804 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.876 8.878 2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.958 8.205 3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.596 6.895 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.378 5.558 1.655 1.00 0.00 H new ATOM 464 N LYS A 32 10.758 10.909 1.230 1.00 0.00 N ATOM 465 CA LYS A 32 11.340 12.270 1.331 1.00 0.00 C ATOM 466 C LYS A 32 10.388 13.161 2.136 1.00 0.00 C ATOM 467 O LYS A 32 10.665 14.315 2.394 1.00 0.00 O ATOM 468 CB LYS A 32 11.548 12.852 -0.074 1.00 0.00 C ATOM 469 CG LYS A 32 10.281 13.578 -0.538 1.00 0.00 C ATOM 470 CD LYS A 32 10.309 13.740 -2.059 1.00 0.00 C ATOM 471 CE LYS A 32 11.419 14.715 -2.453 1.00 0.00 C ATOM 472 NZ LYS A 32 11.247 15.112 -3.880 1.00 0.00 N ATOM 0 H LYS A 32 10.482 10.622 0.291 1.00 0.00 H new ATOM 0 HA LYS A 32 12.305 12.222 1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.391 13.543 -0.068 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.795 12.054 -0.774 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.397 13.015 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.214 14.555 -0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.475 12.773 -2.534 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.346 14.108 -2.413 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.388 15.597 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.394 14.250 -2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.001 15.775 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.297 14.267 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.322 15.571 -4.004 1.00 0.00 H new ATOM 486 N ARG A 33 9.264 12.625 2.524 1.00 0.00 N ATOM 487 CA ARG A 33 8.276 13.421 3.303 1.00 0.00 C ATOM 488 C ARG A 33 8.598 13.316 4.795 1.00 0.00 C ATOM 489 O ARG A 33 9.246 12.382 5.224 1.00 0.00 O ATOM 490 CB ARG A 33 6.874 12.868 3.029 1.00 0.00 C ATOM 491 CG ARG A 33 6.348 13.413 1.693 1.00 0.00 C ATOM 492 CD ARG A 33 5.710 14.790 1.899 1.00 0.00 C ATOM 493 NE ARG A 33 4.990 15.194 0.657 1.00 0.00 N ATOM 494 CZ ARG A 33 5.612 15.867 -0.273 1.00 0.00 C ATOM 495 NH1 ARG A 33 6.885 15.668 -0.484 1.00 0.00 N ATOM 496 NH2 ARG A 33 4.962 16.742 -0.990 1.00 0.00 N ATOM 0 H ARG A 33 8.986 11.662 2.333 1.00 0.00 H new ATOM 0 HA ARG A 33 8.321 14.469 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.902 11.779 3.001 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.199 13.149 3.837 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.165 13.486 0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.615 12.724 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.018 14.760 2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.477 15.525 2.143 1.00 0.00 H new ATOM 0 HE ARG A 33 4.009 14.944 0.534 1.00 0.00 H new ATOM 0 HH11 ARG A 33 7.395 14.986 0.078 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.370 16.194 -1.211 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.968 16.900 -0.824 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.448 17.268 -1.717 1.00 0.00 H new ATOM 510 N PRO A 34 8.148 14.262 5.589 1.00 0.00 N ATOM 511 CA PRO A 34 8.413 14.229 7.049 1.00 0.00 C ATOM 512 C PRO A 34 8.122 12.850 7.641 1.00 0.00 C ATOM 513 O PRO A 34 7.064 12.597 8.183 1.00 0.00 O ATOM 514 CB PRO A 34 7.453 15.304 7.584 1.00 0.00 C ATOM 515 CG PRO A 34 6.697 15.920 6.395 1.00 0.00 C ATOM 516 CD PRO A 34 7.346 15.415 5.101 1.00 0.00 C ATOM 0 HA PRO A 34 9.454 14.418 7.309 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.751 14.865 8.293 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.008 16.074 8.120 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.644 15.639 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.738 17.008 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.603 15.112 4.363 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.969 16.177 4.632 1.00 0.00 H new ATOM 524 N SER A 35 9.058 11.952 7.521 1.00 0.00 N ATOM 525 CA SER A 35 8.856 10.581 8.051 1.00 0.00 C ATOM 526 C SER A 35 7.736 9.902 7.267 1.00 0.00 C ATOM 527 O SER A 35 7.191 8.901 7.686 1.00 0.00 O ATOM 528 CB SER A 35 8.489 10.648 9.536 1.00 0.00 C ATOM 529 OG SER A 35 9.195 11.720 10.146 1.00 0.00 O ATOM 0 H SER A 35 9.961 12.113 7.074 1.00 0.00 H new ATOM 0 HA SER A 35 9.776 10.006 7.942 1.00 0.00 H new ATOM 0 HB2 SER A 35 7.415 10.793 9.651 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.738 9.707 10.027 1.00 0.00 H new ATOM 0 HG SER A 35 8.961 11.767 11.097 1.00 0.00 H new ATOM 535 N GLY A 36 7.388 10.437 6.129 1.00 0.00 N ATOM 536 CA GLY A 36 6.301 9.812 5.327 1.00 0.00 C ATOM 537 C GLY A 36 6.825 8.552 4.627 1.00 0.00 C ATOM 538 O GLY A 36 7.976 8.189 4.754 1.00 0.00 O ATOM 0 H GLY A 36 7.806 11.274 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.461 9.557 5.974 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.929 10.521 4.587 1.00 0.00 H new ATOM 542 N ASN A 37 5.975 7.890 3.893 1.00 0.00 N ATOM 543 CA ASN A 37 6.378 6.647 3.169 1.00 0.00 C ATOM 544 C ASN A 37 5.102 5.939 2.703 1.00 0.00 C ATOM 545 O ASN A 37 4.062 6.073 3.321 1.00 0.00 O ATOM 546 CB ASN A 37 7.176 5.728 4.109 1.00 0.00 C ATOM 547 CG ASN A 37 8.665 5.787 3.757 1.00 0.00 C ATOM 548 OD1 ASN A 37 9.096 5.159 2.698 1.00 0.00 O flip ATOM 549 ND2 ASN A 37 9.445 6.406 4.455 1.00 0.00 N flip ATOM 0 H ASN A 37 5.001 8.161 3.761 1.00 0.00 H new ATOM 0 HA ASN A 37 7.008 6.893 2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.026 6.034 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.814 4.703 4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.109 6.897 5.283 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.435 6.434 4.212 1.00 0.00 H new ATOM 556 N LEU A 38 5.161 5.210 1.612 1.00 0.00 N ATOM 557 CA LEU A 38 3.941 4.507 1.101 1.00 0.00 C ATOM 558 C LEU A 38 2.932 4.284 2.239 1.00 0.00 C ATOM 559 O LEU A 38 3.284 3.879 3.329 1.00 0.00 O ATOM 560 CB LEU A 38 4.348 3.161 0.505 1.00 0.00 C ATOM 561 CG LEU A 38 5.039 3.392 -0.839 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.753 2.111 -1.277 1.00 0.00 C ATOM 563 CD2 LEU A 38 4.001 3.790 -1.894 1.00 0.00 C ATOM 0 H LEU A 38 6.003 5.072 1.053 1.00 0.00 H new ATOM 0 HA LEU A 38 3.471 5.124 0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.018 2.636 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.470 2.529 0.372 1.00 0.00 H new ATOM 0 HG LEU A 38 5.769 4.194 -0.734 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.245 2.278 -2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.498 1.836 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.026 1.305 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.498 3.954 -2.850 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.265 2.993 -1.999 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.500 4.707 -1.584 1.00 0.00 H new ATOM 575 N VAL A 39 1.684 4.572 1.984 1.00 0.00 N ATOM 576 CA VAL A 39 0.624 4.416 3.027 1.00 0.00 C ATOM 577 C VAL A 39 0.870 3.180 3.900 1.00 0.00 C ATOM 578 O VAL A 39 1.486 2.218 3.489 1.00 0.00 O ATOM 579 CB VAL A 39 -0.735 4.284 2.338 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.630 3.278 1.191 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.784 3.797 3.342 1.00 0.00 C ATOM 0 H VAL A 39 1.347 4.914 1.084 1.00 0.00 H new ATOM 0 HA VAL A 39 0.645 5.294 3.672 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.033 5.257 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.599 3.184 0.700 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.110 3.624 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.327 2.308 1.585 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.749 3.705 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.486 2.826 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.864 4.513 4.160 1.00 0.00 H new ATOM 591 N SER A 40 0.368 3.219 5.110 1.00 0.00 N ATOM 592 CA SER A 40 0.530 2.067 6.051 1.00 0.00 C ATOM 593 C SER A 40 -0.839 1.415 6.295 1.00 0.00 C ATOM 594 O SER A 40 -1.847 1.867 5.790 1.00 0.00 O ATOM 595 CB SER A 40 1.087 2.587 7.377 1.00 0.00 C ATOM 596 OG SER A 40 0.673 3.933 7.563 1.00 0.00 O ATOM 0 H SER A 40 -0.153 4.009 5.490 1.00 0.00 H new ATOM 0 HA SER A 40 1.212 1.331 5.625 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.733 1.968 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.175 2.526 7.377 1.00 0.00 H new ATOM 0 HG SER A 40 -0.008 3.972 8.267 1.00 0.00 H new ATOM 602 N VAL A 41 -0.889 0.357 7.071 1.00 0.00 N ATOM 603 CA VAL A 41 -2.201 -0.309 7.341 1.00 0.00 C ATOM 604 C VAL A 41 -2.063 -1.235 8.564 1.00 0.00 C ATOM 605 O VAL A 41 -1.775 -2.407 8.432 1.00 0.00 O ATOM 606 CB VAL A 41 -2.649 -1.137 6.111 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.027 -0.668 5.643 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.658 -0.974 4.948 1.00 0.00 C ATOM 0 H VAL A 41 -0.082 -0.071 7.526 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.951 0.456 7.541 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.685 -2.185 6.408 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.336 -1.254 4.778 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.749 -0.801 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.979 0.386 5.369 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.995 -1.565 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.603 0.076 4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.671 -1.317 5.260 1.00 0.00 H new ATOM 618 N LEU A 42 -2.262 -0.719 9.755 1.00 0.00 N ATOM 619 CA LEU A 42 -2.138 -1.576 10.980 1.00 0.00 C ATOM 620 C LEU A 42 -3.491 -1.708 11.685 1.00 0.00 C ATOM 621 O LEU A 42 -3.560 -2.161 12.810 1.00 0.00 O ATOM 622 CB LEU A 42 -1.141 -0.951 11.955 1.00 0.00 C ATOM 623 CG LEU A 42 0.277 -1.098 11.410 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.223 -0.213 12.225 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.725 -2.556 11.525 1.00 0.00 C ATOM 0 H LEU A 42 -2.504 0.256 9.932 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.792 -2.562 10.669 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.376 0.103 12.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.218 -1.435 12.929 1.00 0.00 H new ATOM 0 HG LEU A 42 0.297 -0.796 10.363 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.238 -0.314 11.840 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.907 0.827 12.146 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.199 -0.521 13.270 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.738 -2.657 11.135 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.707 -2.861 12.571 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.050 -3.190 10.951 1.00 0.00 H new ATOM 637 N SER A 43 -4.566 -1.322 11.052 1.00 0.00 N ATOM 638 CA SER A 43 -5.895 -1.440 11.723 1.00 0.00 C ATOM 639 C SER A 43 -6.950 -1.902 10.718 1.00 0.00 C ATOM 640 O SER A 43 -6.892 -1.580 9.547 1.00 0.00 O ATOM 641 CB SER A 43 -6.299 -0.079 12.292 1.00 0.00 C ATOM 642 OG SER A 43 -5.327 0.339 13.241 1.00 0.00 O ATOM 0 H SER A 43 -4.584 -0.934 10.109 1.00 0.00 H new ATOM 0 HA SER A 43 -5.824 -2.171 12.529 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.380 0.654 11.490 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.280 -0.145 12.763 1.00 0.00 H new ATOM 0 HG SER A 43 -5.581 1.212 13.607 1.00 0.00 H new ATOM 648 N GLY A 44 -7.921 -2.647 11.172 1.00 0.00 N ATOM 649 CA GLY A 44 -8.990 -3.122 10.252 1.00 0.00 C ATOM 650 C GLY A 44 -9.773 -1.917 9.738 1.00 0.00 C ATOM 651 O GLY A 44 -10.416 -1.971 8.709 1.00 0.00 O ATOM 0 H GLY A 44 -8.019 -2.947 12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.553 -3.671 9.418 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.656 -3.810 10.772 1.00 0.00 H new ATOM 655 N ALA A 45 -9.718 -0.825 10.449 1.00 0.00 N ATOM 656 CA ALA A 45 -10.451 0.394 10.007 1.00 0.00 C ATOM 657 C ALA A 45 -9.581 1.170 9.020 1.00 0.00 C ATOM 658 O ALA A 45 -10.072 1.803 8.107 1.00 0.00 O ATOM 659 CB ALA A 45 -10.751 1.274 11.220 1.00 0.00 C ATOM 0 H ALA A 45 -9.196 -0.724 11.319 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.386 0.107 9.527 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.287 2.167 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.364 0.718 11.930 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.816 1.565 11.698 1.00 0.00 H new ATOM 665 N GLU A 46 -8.287 1.126 9.196 1.00 0.00 N ATOM 666 CA GLU A 46 -7.384 1.860 8.267 1.00 0.00 C ATOM 667 C GLU A 46 -7.384 1.158 6.910 1.00 0.00 C ATOM 668 O GLU A 46 -7.407 1.791 5.874 1.00 0.00 O ATOM 669 CB GLU A 46 -5.964 1.873 8.838 1.00 0.00 C ATOM 670 CG GLU A 46 -5.073 2.762 7.967 1.00 0.00 C ATOM 671 CD GLU A 46 -3.655 2.781 8.540 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.506 2.471 9.710 1.00 0.00 O ATOM 673 OE2 GLU A 46 -2.743 3.108 7.799 1.00 0.00 O ATOM 0 H GLU A 46 -7.818 0.613 9.943 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.733 2.886 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.976 2.244 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.564 0.859 8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.058 2.388 6.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.476 3.774 7.931 1.00 0.00 H new ATOM 680 N GLY A 47 -7.366 -0.146 6.904 1.00 0.00 N ATOM 681 CA GLY A 47 -7.373 -0.880 5.608 1.00 0.00 C ATOM 682 C GLY A 47 -8.665 -0.558 4.860 1.00 0.00 C ATOM 683 O GLY A 47 -8.696 -0.500 3.646 1.00 0.00 O ATOM 0 H GLY A 47 -7.347 -0.733 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.509 -0.593 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.297 -1.953 5.783 1.00 0.00 H new ATOM 687 N SER A 48 -9.730 -0.333 5.578 1.00 0.00 N ATOM 688 CA SER A 48 -11.020 0.003 4.915 1.00 0.00 C ATOM 689 C SER A 48 -11.026 1.494 4.582 1.00 0.00 C ATOM 690 O SER A 48 -11.619 1.925 3.614 1.00 0.00 O ATOM 691 CB SER A 48 -12.180 -0.315 5.860 1.00 0.00 C ATOM 692 OG SER A 48 -12.371 0.776 6.751 1.00 0.00 O ATOM 0 H SER A 48 -9.762 -0.367 6.597 1.00 0.00 H new ATOM 0 HA SER A 48 -11.132 -0.583 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.090 -0.497 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.968 -1.225 6.421 1.00 0.00 H new ATOM 0 HG SER A 48 -11.527 0.977 7.208 1.00 0.00 H new ATOM 698 N PHE A 49 -10.357 2.285 5.378 1.00 0.00 N ATOM 699 CA PHE A 49 -10.311 3.747 5.109 1.00 0.00 C ATOM 700 C PHE A 49 -9.466 3.997 3.859 1.00 0.00 C ATOM 701 O PHE A 49 -9.878 4.689 2.949 1.00 0.00 O ATOM 702 CB PHE A 49 -9.685 4.469 6.304 1.00 0.00 C ATOM 703 CG PHE A 49 -9.892 5.958 6.156 1.00 0.00 C ATOM 704 CD1 PHE A 49 -11.124 6.531 6.494 1.00 0.00 C ATOM 705 CD2 PHE A 49 -8.852 6.764 5.682 1.00 0.00 C ATOM 706 CE1 PHE A 49 -11.314 7.912 6.357 1.00 0.00 C ATOM 707 CE2 PHE A 49 -9.042 8.145 5.545 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.274 8.719 5.882 1.00 0.00 C ATOM 0 H PHE A 49 -9.841 1.979 6.203 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.321 4.124 4.952 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.137 4.118 7.232 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.620 4.243 6.362 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.927 5.909 6.860 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.902 6.321 5.421 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -12.264 8.354 6.618 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.238 8.767 5.179 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.421 9.784 5.775 1.00 0.00 H new ATOM 718 N VAL A 50 -8.290 3.430 3.802 1.00 0.00 N ATOM 719 CA VAL A 50 -7.432 3.632 2.602 1.00 0.00 C ATOM 720 C VAL A 50 -8.200 3.166 1.368 1.00 0.00 C ATOM 721 O VAL A 50 -8.133 3.768 0.317 1.00 0.00 O ATOM 722 CB VAL A 50 -6.143 2.819 2.739 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.260 3.055 1.512 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.393 3.263 3.998 1.00 0.00 C ATOM 0 H VAL A 50 -7.890 2.839 4.531 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.175 4.687 2.508 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.387 1.759 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.341 2.476 1.608 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.793 2.742 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.015 4.115 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.474 2.685 4.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.148 4.322 3.921 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.022 3.098 4.873 1.00 0.00 H new ATOM 734 N SER A 51 -8.937 2.095 1.493 1.00 0.00 N ATOM 735 CA SER A 51 -9.719 1.585 0.334 1.00 0.00 C ATOM 736 C SER A 51 -10.695 2.666 -0.130 1.00 0.00 C ATOM 737 O SER A 51 -10.887 2.874 -1.309 1.00 0.00 O ATOM 738 CB SER A 51 -10.500 0.341 0.753 1.00 0.00 C ATOM 739 OG SER A 51 -11.571 0.129 -0.157 1.00 0.00 O ATOM 0 H SER A 51 -9.030 1.551 2.351 1.00 0.00 H new ATOM 0 HA SER A 51 -9.041 1.329 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.842 -0.528 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.886 0.464 1.765 1.00 0.00 H new ATOM 0 HG SER A 51 -11.543 -0.794 -0.486 1.00 0.00 H new ATOM 745 N SER A 52 -11.313 3.355 0.790 1.00 0.00 N ATOM 746 CA SER A 52 -12.278 4.423 0.403 1.00 0.00 C ATOM 747 C SER A 52 -11.512 5.628 -0.146 1.00 0.00 C ATOM 748 O SER A 52 -12.045 6.427 -0.892 1.00 0.00 O ATOM 749 CB SER A 52 -13.084 4.848 1.632 1.00 0.00 C ATOM 750 OG SER A 52 -12.225 5.516 2.548 1.00 0.00 O ATOM 0 H SER A 52 -11.191 3.224 1.794 1.00 0.00 H new ATOM 0 HA SER A 52 -12.954 4.043 -0.363 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.901 5.506 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.533 3.975 2.107 1.00 0.00 H new ATOM 0 HG SER A 52 -11.514 4.906 2.834 1.00 0.00 H new ATOM 756 N LEU A 53 -10.269 5.767 0.217 1.00 0.00 N ATOM 757 CA LEU A 53 -9.467 6.918 -0.281 1.00 0.00 C ATOM 758 C LEU A 53 -9.011 6.629 -1.711 1.00 0.00 C ATOM 759 O LEU A 53 -8.729 7.528 -2.477 1.00 0.00 O ATOM 760 CB LEU A 53 -8.247 7.105 0.639 1.00 0.00 C ATOM 761 CG LEU A 53 -7.132 7.879 -0.079 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.592 9.313 -0.357 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.890 7.919 0.817 1.00 0.00 C ATOM 0 H LEU A 53 -9.772 5.131 0.840 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.065 7.829 -0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.545 7.641 1.540 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.873 6.131 0.956 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.899 7.383 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.797 9.858 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.481 9.294 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.826 9.809 0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.095 8.467 0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.134 8.416 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.556 6.902 1.021 1.00 0.00 H new ATOM 775 N VAL A 54 -8.922 5.376 -2.072 1.00 0.00 N ATOM 776 CA VAL A 54 -8.466 5.021 -3.447 1.00 0.00 C ATOM 777 C VAL A 54 -9.547 4.214 -4.174 1.00 0.00 C ATOM 778 O VAL A 54 -9.283 3.566 -5.163 1.00 0.00 O ATOM 779 CB VAL A 54 -7.173 4.206 -3.345 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.150 4.992 -2.524 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.450 2.865 -2.656 1.00 0.00 C ATOM 0 H VAL A 54 -9.146 4.582 -1.472 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.281 5.931 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.786 4.020 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.227 4.418 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.945 5.944 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.548 5.175 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.525 2.293 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.840 3.044 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.183 2.303 -3.235 1.00 0.00 H new ATOM 791 N LYS A 55 -10.764 4.250 -3.697 1.00 0.00 N ATOM 792 CA LYS A 55 -11.853 3.488 -4.374 1.00 0.00 C ATOM 793 C LYS A 55 -12.187 4.163 -5.707 1.00 0.00 C ATOM 794 O LYS A 55 -12.618 3.525 -6.648 1.00 0.00 O ATOM 795 CB LYS A 55 -13.101 3.468 -3.488 1.00 0.00 C ATOM 796 CG LYS A 55 -14.142 2.525 -4.095 1.00 0.00 C ATOM 797 CD LYS A 55 -15.445 2.614 -3.295 1.00 0.00 C ATOM 798 CE LYS A 55 -15.205 2.142 -1.858 1.00 0.00 C ATOM 799 NZ LYS A 55 -16.494 1.690 -1.263 1.00 0.00 N ATOM 0 H LYS A 55 -11.050 4.773 -2.869 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.522 2.465 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.840 3.140 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.513 4.473 -3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.324 2.790 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.768 1.501 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.812 3.640 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -16.214 2.001 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.481 1.327 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.782 2.952 -1.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.332 1.369 -0.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.171 2.480 -1.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.880 0.905 -1.826 1.00 0.00 H new ATOM 896 N SER A 62 -6.576 -0.203 -11.589 1.00 0.00 N ATOM 897 CA SER A 62 -7.355 -1.081 -10.667 1.00 0.00 C ATOM 898 C SER A 62 -6.541 -1.373 -9.408 1.00 0.00 C ATOM 899 O SER A 62 -7.088 -1.538 -8.336 1.00 0.00 O ATOM 900 CB SER A 62 -7.673 -2.399 -11.385 1.00 0.00 C ATOM 901 OG SER A 62 -6.653 -2.669 -12.338 1.00 0.00 O ATOM 0 HA SER A 62 -8.279 -0.577 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.738 -3.214 -10.664 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.642 -2.333 -11.880 1.00 0.00 H new ATOM 0 HG SER A 62 -6.275 -1.824 -12.661 1.00 0.00 H new ATOM 907 N TYR A 63 -5.245 -1.453 -9.516 1.00 0.00 N ATOM 908 CA TYR A 63 -4.424 -1.756 -8.310 1.00 0.00 C ATOM 909 C TYR A 63 -3.732 -0.489 -7.799 1.00 0.00 C ATOM 910 O TYR A 63 -3.655 0.512 -8.482 1.00 0.00 O ATOM 911 CB TYR A 63 -3.379 -2.812 -8.664 1.00 0.00 C ATOM 912 CG TYR A 63 -4.045 -4.166 -8.758 1.00 0.00 C ATOM 913 CD1 TYR A 63 -4.987 -4.414 -9.763 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.721 -5.173 -7.840 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.604 -5.667 -9.851 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.339 -6.427 -7.928 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.280 -6.672 -8.933 1.00 0.00 C ATOM 918 OH TYR A 63 -5.889 -7.908 -9.021 1.00 0.00 O ATOM 0 H TYR A 63 -4.720 -1.323 -10.381 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.076 -2.134 -7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.901 -2.563 -9.611 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.595 -2.832 -7.907 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.238 -3.638 -10.471 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.994 -4.983 -7.064 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.330 -5.858 -10.627 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.089 -7.204 -7.220 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.551 -8.491 -8.309 1.00 0.00 H new ATOM 928 N VAL A 64 -3.242 -0.530 -6.587 1.00 0.00 N ATOM 929 CA VAL A 64 -2.564 0.664 -5.997 1.00 0.00 C ATOM 930 C VAL A 64 -1.383 0.194 -5.137 1.00 0.00 C ATOM 931 O VAL A 64 -1.469 -0.790 -4.437 1.00 0.00 O ATOM 932 CB VAL A 64 -3.592 1.417 -5.139 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.954 2.623 -4.450 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.738 1.894 -6.034 1.00 0.00 C ATOM 0 H VAL A 64 -3.283 -1.346 -5.976 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.184 1.325 -6.776 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.966 0.740 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.704 3.138 -3.849 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.142 2.286 -3.806 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.561 3.306 -5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.472 2.429 -5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.346 2.559 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.214 1.034 -6.505 1.00 0.00 H new ATOM 944 N TRP A 65 -0.271 0.879 -5.191 1.00 0.00 N ATOM 945 CA TRP A 65 0.912 0.446 -4.383 1.00 0.00 C ATOM 946 C TRP A 65 0.735 0.868 -2.920 1.00 0.00 C ATOM 947 O TRP A 65 0.157 1.896 -2.627 1.00 0.00 O ATOM 948 CB TRP A 65 2.183 1.126 -4.916 1.00 0.00 C ATOM 949 CG TRP A 65 2.966 0.237 -5.836 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.619 0.689 -6.929 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.226 -1.203 -5.774 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.256 -0.366 -7.547 1.00 0.00 N ATOM 953 CE2 TRP A 65 4.040 -1.552 -6.881 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.843 -2.232 -4.890 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.454 -2.862 -7.102 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.262 -3.553 -5.114 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.063 -3.868 -6.217 1.00 0.00 C ATOM 0 H TRP A 65 -0.129 1.716 -5.756 1.00 0.00 H new ATOM 0 HA TRP A 65 0.997 -0.638 -4.456 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.909 2.039 -5.444 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.813 1.420 -4.077 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.639 1.715 -7.266 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.818 -0.279 -8.394 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.224 -2.003 -4.035 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.074 -3.099 -7.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.963 -4.333 -4.429 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.378 -4.888 -6.383 1.00 0.00 H new ATOM 968 N ILE A 66 1.276 0.106 -1.999 1.00 0.00 N ATOM 969 CA ILE A 66 1.185 0.496 -0.562 1.00 0.00 C ATOM 970 C ILE A 66 2.541 0.213 0.092 1.00 0.00 C ATOM 971 O ILE A 66 3.416 -0.377 -0.509 1.00 0.00 O ATOM 972 CB ILE A 66 0.090 -0.297 0.153 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.291 -1.796 -0.068 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.277 0.111 -0.394 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.866 -2.562 0.583 1.00 0.00 C ATOM 0 H ILE A 66 1.774 -0.765 -2.182 1.00 0.00 H new ATOM 0 HA ILE A 66 0.933 1.554 -0.487 1.00 0.00 H new ATOM 0 HB ILE A 66 0.142 -0.082 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.334 -2.016 -1.135 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.241 -2.115 0.361 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.057 -0.455 0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.433 1.177 -0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.318 -0.097 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.727 -3.632 0.428 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.887 -2.350 1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.808 -2.250 0.133 1.00 0.00 H new ATOM 987 N GLY A 67 2.735 0.646 1.306 1.00 0.00 N ATOM 988 CA GLY A 67 4.037 0.422 1.980 1.00 0.00 C ATOM 989 C GLY A 67 4.080 -0.962 2.610 1.00 0.00 C ATOM 990 O GLY A 67 4.267 -1.102 3.795 1.00 0.00 O ATOM 0 H GLY A 67 2.042 1.148 1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.849 0.525 1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.192 1.182 2.746 1.00 0.00 H new ATOM 994 N LEU A 68 3.928 -1.985 1.822 1.00 0.00 N ATOM 995 CA LEU A 68 3.994 -3.372 2.374 1.00 0.00 C ATOM 996 C LEU A 68 4.959 -4.191 1.515 1.00 0.00 C ATOM 997 O LEU A 68 4.841 -4.237 0.307 1.00 0.00 O ATOM 998 CB LEU A 68 2.605 -4.021 2.340 1.00 0.00 C ATOM 999 CG LEU A 68 2.501 -5.175 3.366 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.835 -5.911 3.541 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.073 -4.618 4.718 1.00 0.00 C ATOM 0 H LEU A 68 3.760 -1.926 0.818 1.00 0.00 H new ATOM 0 HA LEU A 68 4.340 -3.339 3.407 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.845 -3.270 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.403 -4.402 1.339 1.00 0.00 H new ATOM 0 HG LEU A 68 1.765 -5.883 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.715 -6.713 4.270 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.146 -6.333 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.593 -5.211 3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.000 -5.431 5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.810 -3.892 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.103 -4.131 4.620 1.00 0.00 H new ATOM 1013 N HIS A 69 5.913 -4.843 2.126 1.00 0.00 N ATOM 1014 CA HIS A 69 6.879 -5.658 1.340 1.00 0.00 C ATOM 1015 C HIS A 69 7.188 -6.956 2.081 1.00 0.00 C ATOM 1016 O HIS A 69 6.657 -7.232 3.138 1.00 0.00 O ATOM 1017 CB HIS A 69 8.173 -4.874 1.133 1.00 0.00 C ATOM 1018 CG HIS A 69 8.875 -4.738 2.451 1.00 0.00 C ATOM 1019 ND1 HIS A 69 8.560 -4.024 3.572 1.00 0.00 N flip ATOM 1020 CD2 HIS A 69 10.050 -5.413 2.746 1.00 0.00 C flip ATOM 1021 CE1 HIS A 69 9.517 -4.246 4.557 1.00 0.00 C flip ATOM 1022 NE2 HIS A 69 10.392 -5.091 4.007 1.00 0.00 N flip ATOM 0 H HIS A 69 6.063 -4.845 3.135 1.00 0.00 H new ATOM 0 HA HIS A 69 6.437 -5.890 0.371 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.814 -5.387 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.955 -3.890 0.719 1.00 0.00 H new ATOM 0 HD1 HIS A 69 7.745 -3.419 3.672 1.00 0.00 H new ATOM 0 HD2 HIS A 69 10.591 -6.075 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.546 -3.826 5.551 1.00 0.00 H new ATOM 1180 N TRP A 82 5.914 -10.250 5.785 1.00 0.00 N ATOM 1181 CA TRP A 82 5.092 -9.048 5.448 1.00 0.00 C ATOM 1182 C TRP A 82 5.296 -7.934 6.484 1.00 0.00 C ATOM 1183 O TRP A 82 4.755 -7.982 7.570 1.00 0.00 O ATOM 1184 CB TRP A 82 3.613 -9.445 5.421 1.00 0.00 C ATOM 1185 CG TRP A 82 3.340 -10.270 4.205 1.00 0.00 C ATOM 1186 CD1 TRP A 82 3.947 -11.442 3.911 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.405 -10.009 3.119 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.445 -11.918 2.714 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.493 -11.068 2.186 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.500 -8.966 2.855 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.708 -11.094 1.032 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.709 -8.988 1.695 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.813 -10.049 0.785 1.00 0.00 C ATOM 0 HA TRP A 82 5.404 -8.675 4.473 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.360 -10.008 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.986 -8.553 5.417 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.701 -11.927 4.513 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.741 -12.790 2.275 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.413 -8.143 3.549 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.791 -11.915 0.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.016 -8.182 1.503 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.202 -10.059 -0.106 1.00 0.00 H new ATOM 1204 N GLU A 83 6.051 -6.915 6.148 1.00 0.00 N ATOM 1205 CA GLU A 83 6.262 -5.786 7.105 1.00 0.00 C ATOM 1206 C GLU A 83 5.944 -4.472 6.392 1.00 0.00 C ATOM 1207 O GLU A 83 6.249 -4.298 5.230 1.00 0.00 O ATOM 1208 CB GLU A 83 7.720 -5.764 7.584 1.00 0.00 C ATOM 1209 CG GLU A 83 7.863 -6.628 8.844 1.00 0.00 C ATOM 1210 CD GLU A 83 9.329 -7.021 9.035 1.00 0.00 C ATOM 1211 OE1 GLU A 83 10.174 -6.147 8.928 1.00 0.00 O ATOM 1212 OE2 GLU A 83 9.581 -8.187 9.287 1.00 0.00 O ATOM 0 H GLU A 83 6.529 -6.818 5.252 1.00 0.00 H new ATOM 0 HA GLU A 83 5.609 -5.915 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.377 -6.138 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.028 -4.740 7.796 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.507 -6.079 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.245 -7.522 8.756 1.00 0.00 H new ATOM 1219 N TRP A 84 5.332 -3.546 7.073 1.00 0.00 N ATOM 1220 CA TRP A 84 4.996 -2.254 6.433 1.00 0.00 C ATOM 1221 C TRP A 84 6.243 -1.380 6.378 1.00 0.00 C ATOM 1222 O TRP A 84 6.963 -1.248 7.350 1.00 0.00 O ATOM 1223 CB TRP A 84 3.913 -1.544 7.248 1.00 0.00 C ATOM 1224 CG TRP A 84 3.161 -2.554 8.051 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.597 -3.100 9.205 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.862 -3.149 7.780 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.650 -3.997 9.660 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.561 -4.064 8.815 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.926 -2.989 6.747 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.373 -4.793 8.825 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.274 -3.721 6.753 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.547 -4.623 7.791 1.00 0.00 C ATOM 0 H TRP A 84 5.050 -3.632 8.050 1.00 0.00 H new ATOM 0 HA TRP A 84 4.629 -2.433 5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.364 -0.802 7.906 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.233 -1.010 6.584 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.533 -2.873 9.693 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.744 -4.543 10.516 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.129 -2.299 5.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.166 -5.485 9.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.989 -3.588 5.954 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.469 -5.186 7.790 1.00 0.00 H new ATOM 1243 N SER A 85 6.503 -0.776 5.261 1.00 0.00 N ATOM 1244 CA SER A 85 7.696 0.095 5.156 1.00 0.00 C ATOM 1245 C SER A 85 7.337 1.476 5.687 1.00 0.00 C ATOM 1246 O SER A 85 8.145 2.385 5.682 1.00 0.00 O ATOM 1247 CB SER A 85 8.145 0.195 3.698 1.00 0.00 C ATOM 1248 OG SER A 85 8.521 -1.095 3.234 1.00 0.00 O ATOM 0 H SER A 85 5.940 -0.848 4.414 1.00 0.00 H new ATOM 0 HA SER A 85 8.514 -0.326 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.338 0.595 3.083 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.984 0.885 3.610 1.00 0.00 H new ATOM 0 HG SER A 85 8.717 -1.053 2.275 1.00 0.00 H new ATOM 1288 N VAL A 89 5.491 -3.109 12.393 1.00 0.00 N ATOM 1289 CA VAL A 89 5.507 -4.598 12.294 1.00 0.00 C ATOM 1290 C VAL A 89 4.129 -5.100 11.861 1.00 0.00 C ATOM 1291 O VAL A 89 3.142 -4.400 11.968 1.00 0.00 O ATOM 1292 CB VAL A 89 5.855 -5.192 13.662 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.765 -4.826 14.670 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.950 -6.715 13.545 1.00 0.00 C ATOM 0 HA VAL A 89 6.251 -4.904 11.559 1.00 0.00 H new ATOM 0 HB VAL A 89 6.811 -4.792 14.000 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.013 -5.249 15.644 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.695 -3.741 14.753 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.809 -5.226 14.333 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.198 -7.140 14.518 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.994 -7.114 13.207 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.727 -6.977 12.826 1.00 0.00 H new ATOM 1304 N MET A 90 4.059 -6.305 11.371 1.00 0.00 N ATOM 1305 CA MET A 90 2.750 -6.858 10.922 1.00 0.00 C ATOM 1306 C MET A 90 1.788 -6.969 12.106 1.00 0.00 C ATOM 1307 O MET A 90 1.678 -8.006 12.729 1.00 0.00 O ATOM 1308 CB MET A 90 2.975 -8.247 10.317 1.00 0.00 C ATOM 1309 CG MET A 90 1.786 -8.621 9.429 1.00 0.00 C ATOM 1310 SD MET A 90 1.837 -10.393 9.069 1.00 0.00 S ATOM 1311 CE MET A 90 0.121 -10.562 8.518 1.00 0.00 C ATOM 0 H MET A 90 4.855 -6.934 11.261 1.00 0.00 H new ATOM 0 HA MET A 90 2.316 -6.192 10.177 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.895 -8.255 9.732 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.095 -8.985 11.110 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.851 -8.367 9.929 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.817 -8.049 8.501 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.056 -11.350 7.768 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.511 -10.818 9.369 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.217 -9.620 8.085 1.00 0.00 H new ATOM 1321 N ASN A 91 1.068 -5.915 12.412 1.00 0.00 N ATOM 1322 CA ASN A 91 0.096 -5.985 13.543 1.00 0.00 C ATOM 1323 C ASN A 91 -1.307 -6.113 12.953 1.00 0.00 C ATOM 1324 O ASN A 91 -2.289 -6.210 13.665 1.00 0.00 O ATOM 1325 CB ASN A 91 0.194 -4.713 14.399 1.00 0.00 C ATOM 1326 CG ASN A 91 0.041 -5.074 15.879 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -0.859 -4.598 16.542 1.00 0.00 O ATOM 1328 ND2 ASN A 91 0.889 -5.901 16.428 1.00 0.00 N ATOM 0 H ASN A 91 1.113 -5.017 11.930 1.00 0.00 H new ATOM 0 HA ASN A 91 0.317 -6.842 14.179 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.153 -4.223 14.231 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.581 -4.005 14.105 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.796 -6.147 17.413 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.645 -6.301 15.872 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.403 -6.123 11.649 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.731 -6.253 10.988 1.00 0.00 C ATOM 1337 C TYR A 92 -2.615 -7.240 9.820 1.00 0.00 C ATOM 1338 O TYR A 92 -1.544 -7.456 9.288 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.182 -4.888 10.466 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.487 -5.031 9.711 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.598 -5.622 10.329 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.583 -4.572 8.392 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -6.802 -5.752 9.627 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -5.789 -4.702 7.692 1.00 0.00 C ATOM 1345 CZ TYR A 92 -6.897 -5.292 8.308 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.084 -5.421 7.617 1.00 0.00 O ATOM 0 H TYR A 92 -0.611 -6.046 11.011 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.464 -6.620 11.706 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.307 -4.194 11.297 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.418 -4.468 9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.525 -5.977 11.346 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.727 -4.118 7.914 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.658 -6.207 10.103 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.863 -4.346 6.675 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.980 -5.050 6.716 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.706 -7.844 9.420 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.648 -8.822 8.289 1.00 0.00 C ATOM 1358 C PHE A 93 -4.807 -8.570 7.321 1.00 0.00 C ATOM 1359 O PHE A 93 -5.896 -8.209 7.720 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.758 -10.243 8.846 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.916 -10.319 9.810 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -6.206 -10.583 9.334 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -4.701 -10.125 11.179 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -7.281 -10.652 10.229 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -5.776 -10.194 12.074 1.00 0.00 C ATOM 1366 CZ PHE A 93 -7.066 -10.458 11.598 1.00 0.00 C ATOM 0 H PHE A 93 -4.631 -7.703 9.825 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.704 -8.702 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.902 -10.954 8.032 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.832 -10.520 9.351 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.372 -10.733 8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -3.706 -9.922 11.546 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -8.276 -10.855 9.862 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.610 -10.044 13.131 1.00 0.00 H new ATOM 0 HZ PHE A 93 -7.895 -10.512 12.288 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.581 -8.766 6.047 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.670 -8.544 5.051 1.00 0.00 C ATOM 1378 C ALA A 94 -5.202 -8.993 3.660 1.00 0.00 C ATOM 1379 O ALA A 94 -5.701 -8.537 2.651 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.040 -7.057 5.015 1.00 0.00 C ATOM 0 H ALA A 94 -3.690 -9.070 5.655 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.544 -9.127 5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.835 -6.897 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.382 -6.743 6.001 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.166 -6.471 4.731 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.246 -9.880 3.597 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.753 -10.352 2.272 1.00 0.00 C ATOM 1388 C TRP A 95 -4.838 -11.185 1.587 1.00 0.00 C ATOM 1389 O TRP A 95 -5.702 -11.749 2.229 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.500 -11.209 2.474 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.665 -12.048 3.700 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -2.101 -11.786 4.903 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -3.431 -13.276 3.867 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -2.475 -12.774 5.795 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -3.293 -13.715 5.205 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -4.226 -14.042 2.996 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.922 -14.874 5.661 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -4.860 -15.209 3.452 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -4.707 -15.624 4.784 1.00 0.00 C ATOM 0 H TRP A 95 -3.785 -10.298 4.406 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.511 -9.493 1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.337 -11.845 1.604 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.622 -10.571 2.572 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.464 -10.944 5.129 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.181 -12.803 6.771 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.350 -13.731 1.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.802 -15.189 6.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.468 -15.790 2.775 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -5.196 -16.523 5.130 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.800 -11.266 0.284 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.827 -12.064 -0.446 1.00 0.00 C ATOM 1412 C GLU A 96 -5.460 -13.546 -0.380 1.00 0.00 C ATOM 1413 O GLU A 96 -6.315 -14.404 -0.273 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.875 -11.615 -1.908 1.00 0.00 C ATOM 1415 CG GLU A 96 -7.145 -12.155 -2.568 1.00 0.00 C ATOM 1416 CD GLU A 96 -7.151 -11.775 -4.050 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -6.114 -11.901 -4.679 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -8.195 -11.364 -4.532 1.00 0.00 O ATOM 0 H GLU A 96 -4.102 -10.814 -0.307 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.803 -11.910 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.857 -10.527 -1.966 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.995 -11.977 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.192 -13.239 -2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.026 -11.747 -2.073 1.00 0.00 H new ATOM 1564 N HIS A 107 7.691 -9.679 -4.199 1.00 0.00 N ATOM 1565 CA HIS A 107 8.221 -9.238 -2.875 1.00 0.00 C ATOM 1566 C HIS A 107 7.598 -7.889 -2.504 1.00 0.00 C ATOM 1567 O HIS A 107 8.207 -7.074 -1.841 1.00 0.00 O ATOM 1568 CB HIS A 107 9.747 -9.101 -2.948 1.00 0.00 C ATOM 1569 CG HIS A 107 10.289 -10.058 -3.975 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.461 -11.406 -3.713 1.00 0.00 N ATOM 1571 CD2 HIS A 107 10.699 -9.877 -5.273 1.00 0.00 C ATOM 1572 CE1 HIS A 107 10.954 -11.970 -4.830 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.116 -11.085 -5.809 1.00 0.00 N ATOM 0 HA HIS A 107 7.966 -9.978 -2.116 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.019 -8.078 -3.209 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.188 -9.309 -1.973 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.697 -8.933 -5.798 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.191 -13.020 -4.921 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.470 -11.258 -6.750 1.00 0.00 H new ATOM 1581 N CYS A 108 6.390 -7.650 -2.935 1.00 0.00 N ATOM 1582 CA CYS A 108 5.725 -6.355 -2.617 1.00 0.00 C ATOM 1583 C CYS A 108 4.210 -6.567 -2.566 1.00 0.00 C ATOM 1584 O CYS A 108 3.711 -7.599 -2.972 1.00 0.00 O ATOM 1585 CB CYS A 108 6.075 -5.328 -3.699 1.00 0.00 C ATOM 1586 SG CYS A 108 7.166 -6.098 -4.918 1.00 0.00 S ATOM 0 H CYS A 108 5.834 -8.297 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 108 6.069 -5.987 -1.650 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.167 -4.967 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS A 108 6.563 -4.462 -3.251 1.00 0.00 H new ATOM 1591 N ALA A 109 3.474 -5.607 -2.069 1.00 0.00 N ATOM 1592 CA ALA A 109 1.991 -5.775 -1.996 1.00 0.00 C ATOM 1593 C ALA A 109 1.276 -4.511 -2.496 1.00 0.00 C ATOM 1594 O ALA A 109 1.713 -3.389 -2.284 1.00 0.00 O ATOM 1595 CB ALA A 109 1.578 -6.070 -0.548 1.00 0.00 C ATOM 0 H ALA A 109 3.831 -4.720 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 109 1.702 -6.609 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.496 -6.192 -0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.063 -6.986 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.881 -5.242 0.093 1.00 0.00 H new ATOM 1601 N SER A 110 0.173 -4.707 -3.161 1.00 0.00 N ATOM 1602 CA SER A 110 -0.620 -3.570 -3.702 1.00 0.00 C ATOM 1603 C SER A 110 -2.107 -3.875 -3.487 1.00 0.00 C ATOM 1604 O SER A 110 -2.484 -5.000 -3.230 1.00 0.00 O ATOM 1605 CB SER A 110 -0.330 -3.420 -5.201 1.00 0.00 C ATOM 1606 OG SER A 110 0.776 -4.241 -5.547 1.00 0.00 O ATOM 0 H SER A 110 -0.220 -5.628 -3.356 1.00 0.00 H new ATOM 0 HA SER A 110 -0.354 -2.643 -3.195 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.206 -3.705 -5.783 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.114 -2.379 -5.439 1.00 0.00 H new ATOM 0 HG SER A 110 1.605 -3.726 -5.460 1.00 0.00 H new ATOM 1612 N LEU A 111 -2.958 -2.894 -3.597 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.412 -3.150 -3.403 1.00 0.00 C ATOM 1614 C LEU A 111 -5.004 -3.615 -4.734 1.00 0.00 C ATOM 1615 O LEU A 111 -4.523 -3.261 -5.789 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.113 -1.856 -2.969 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.628 -1.425 -1.572 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.330 0.078 -1.565 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.718 -1.712 -0.538 1.00 0.00 C ATOM 0 H LEU A 111 -2.711 -1.928 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.554 -3.911 -2.635 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.910 -1.065 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.192 -2.007 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.724 -1.982 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.987 0.376 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.555 0.299 -2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.236 0.630 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.372 -1.406 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.619 -1.156 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.940 -2.779 -0.530 1.00 0.00 H new ATOM 1631 N SER A 112 -6.033 -4.415 -4.689 1.00 0.00 N ATOM 1632 CA SER A 112 -6.660 -4.917 -5.953 1.00 0.00 C ATOM 1633 C SER A 112 -8.097 -4.403 -6.051 1.00 0.00 C ATOM 1634 O SER A 112 -8.941 -4.742 -5.246 1.00 0.00 O ATOM 1635 CB SER A 112 -6.674 -6.446 -5.931 1.00 0.00 C ATOM 1636 OG SER A 112 -7.680 -6.893 -5.030 1.00 0.00 O ATOM 0 H SER A 112 -6.471 -4.746 -3.830 1.00 0.00 H new ATOM 0 HA SER A 112 -6.088 -4.562 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.867 -6.834 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.700 -6.826 -5.624 1.00 0.00 H new ATOM 0 HG SER A 112 -8.133 -6.119 -4.636 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.390 -3.590 -7.033 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.782 -3.067 -7.167 1.00 0.00 C ATOM 1644 C ARG A 113 -10.766 -4.240 -7.186 1.00 0.00 C ATOM 1645 O ARG A 113 -11.883 -4.134 -6.721 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.912 -2.268 -8.469 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.389 -1.939 -8.743 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.958 -2.908 -9.785 1.00 0.00 C ATOM 1649 NE ARG A 113 -13.447 -2.912 -9.699 1.00 0.00 N ATOM 1650 CZ ARG A 113 -14.148 -2.073 -10.412 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -13.685 -0.877 -10.657 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -15.312 -2.430 -10.884 1.00 0.00 N ATOM 0 H ARG A 113 -7.732 -3.268 -7.742 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.006 -2.416 -6.322 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.333 -1.347 -8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.499 -2.841 -9.299 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.963 -2.008 -7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.481 -0.913 -9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.642 -2.611 -10.785 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.570 -3.912 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.919 -3.572 -9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -12.775 -0.598 -10.291 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -14.234 -0.222 -11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.674 -3.365 -10.696 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.859 -1.774 -11.441 1.00 0.00 H new ATOM 1666 N SER A 114 -10.361 -5.356 -7.728 1.00 0.00 N ATOM 1667 CA SER A 114 -11.274 -6.534 -7.781 1.00 0.00 C ATOM 1668 C SER A 114 -11.740 -6.889 -6.367 1.00 0.00 C ATOM 1669 O SER A 114 -12.848 -7.343 -6.164 1.00 0.00 O ATOM 1670 CB SER A 114 -10.532 -7.726 -8.386 1.00 0.00 C ATOM 1671 OG SER A 114 -11.153 -8.932 -7.959 1.00 0.00 O ATOM 0 H SER A 114 -9.438 -5.503 -8.136 1.00 0.00 H new ATOM 0 HA SER A 114 -12.140 -6.292 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 114 -10.544 -7.663 -9.474 1.00 0.00 H new ATOM 0 HB3 SER A 114 -9.487 -7.713 -8.078 1.00 0.00 H new ATOM 0 HG SER A 114 -10.681 -9.698 -8.346 1.00 0.00 H new ATOM 1677 N THR A 115 -10.901 -6.686 -5.387 1.00 0.00 N ATOM 1678 CA THR A 115 -11.291 -7.012 -3.984 1.00 0.00 C ATOM 1679 C THR A 115 -11.773 -5.742 -3.283 1.00 0.00 C ATOM 1680 O THR A 115 -11.703 -5.623 -2.074 1.00 0.00 O ATOM 1681 CB THR A 115 -10.080 -7.576 -3.239 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.076 -6.576 -3.145 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.530 -8.786 -3.996 1.00 0.00 C ATOM 0 H THR A 115 -9.960 -6.308 -5.497 1.00 0.00 H new ATOM 0 HA THR A 115 -12.092 -7.751 -3.990 1.00 0.00 H new ATOM 0 HB THR A 115 -10.381 -7.884 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.214 -6.951 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.667 -9.187 -3.464 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.301 -9.553 -4.066 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.229 -8.482 -4.998 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.260 -4.790 -4.030 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.744 -3.525 -3.409 1.00 0.00 C ATOM 1693 C ALA A 116 -11.592 -2.857 -2.655 1.00 0.00 C ATOM 1694 O ALA A 116 -11.798 -2.123 -1.710 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.883 -3.837 -2.434 1.00 0.00 C ATOM 0 H ALA A 116 -12.344 -4.834 -5.046 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.108 -2.853 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.237 -2.912 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.702 -4.314 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.522 -4.508 -1.655 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.381 -3.108 -3.071 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.208 -2.491 -2.388 1.00 0.00 C ATOM 1703 C PHE A 117 -9.193 -2.916 -0.919 1.00 0.00 C ATOM 1704 O PHE A 117 -8.574 -2.284 -0.086 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.298 -0.966 -2.476 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.644 -0.558 -3.888 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.632 -0.432 -4.848 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.975 -0.304 -4.239 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.951 -0.052 -6.156 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.295 0.076 -5.548 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.283 0.202 -6.506 1.00 0.00 C ATOM 0 H PHE A 117 -10.152 -3.716 -3.857 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.292 -2.825 -2.876 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -10.055 -0.596 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.349 -0.518 -2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.605 -0.628 -4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.756 -0.401 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.170 0.045 -6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.322 0.272 -5.818 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.529 0.495 -7.516 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.870 -3.984 -0.595 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.900 -4.456 0.818 1.00 0.00 C ATOM 1723 C LEU A 118 -8.953 -5.646 0.977 1.00 0.00 C ATOM 1724 O LEU A 118 -9.004 -6.367 1.954 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.324 -4.886 1.177 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.229 -3.654 1.292 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.677 -4.107 1.503 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.786 -2.783 2.478 1.00 0.00 C ATOM 0 H LEU A 118 -10.406 -4.552 -1.251 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.584 -3.650 1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.712 -5.563 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.321 -5.435 2.119 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.156 -3.069 0.375 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.323 -3.233 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.995 -4.715 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.744 -4.696 2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.435 -1.910 2.551 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.851 -3.362 3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.757 -2.458 2.326 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.085 -5.858 0.025 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.133 -7.001 0.121 1.00 0.00 C ATOM 1742 C ARG A 119 -5.806 -6.613 -0.537 1.00 0.00 C ATOM 1743 O ARG A 119 -5.730 -5.650 -1.276 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.722 -8.219 -0.592 1.00 0.00 C ATOM 1745 CG ARG A 119 -8.995 -8.666 0.128 1.00 0.00 C ATOM 1746 CD ARG A 119 -9.481 -9.992 -0.464 1.00 0.00 C ATOM 1747 NE ARG A 119 -10.890 -10.238 -0.044 1.00 0.00 N ATOM 1748 CZ ARG A 119 -11.584 -11.182 -0.618 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -11.128 -11.768 -1.691 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -12.734 -11.540 -0.118 1.00 0.00 N ATOM 0 H ARG A 119 -7.994 -5.288 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.961 -7.245 1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.946 -7.973 -1.630 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -6.996 -9.031 -0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.800 -8.782 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.769 -7.905 0.026 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.414 -9.963 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.842 -10.809 -0.127 1.00 0.00 H new ATOM 0 HE ARG A 119 -11.311 -9.669 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.228 -11.488 -2.082 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.671 -12.506 -2.139 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -13.090 -11.082 0.721 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -13.277 -12.278 -0.566 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.758 -7.350 -0.269 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.431 -7.022 -0.870 1.00 0.00 C ATOM 1766 C TRP A 120 -3.000 -8.133 -1.830 1.00 0.00 C ATOM 1767 O TRP A 120 -3.145 -9.305 -1.545 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.388 -6.898 0.243 1.00 0.00 C ATOM 1769 CG TRP A 120 -2.898 -5.989 1.313 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.455 -4.775 1.103 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -2.904 -6.199 2.753 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -3.802 -4.225 2.323 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.483 -5.067 3.372 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.468 -7.255 3.574 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.625 -4.983 4.757 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.607 -7.174 4.968 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.186 -6.040 5.558 1.00 0.00 C ATOM 0 H TRP A 120 -4.765 -8.167 0.342 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.512 -6.082 -1.416 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.170 -7.881 0.661 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.454 -6.510 -0.163 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -3.604 -4.311 0.139 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.240 -3.310 2.435 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.024 -8.133 3.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.071 -4.108 5.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.267 -7.989 5.590 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.292 -5.984 6.631 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.460 -7.768 -2.966 1.00 0.00 N ATOM 1789 CA LYS A 121 -2.002 -8.791 -3.953 1.00 0.00 C ATOM 1790 C LYS A 121 -0.500 -8.638 -4.172 1.00 0.00 C ATOM 1791 O LYS A 121 0.049 -7.559 -4.063 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.738 -8.590 -5.281 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.574 -9.837 -6.161 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.666 -10.858 -5.823 1.00 0.00 C ATOM 1795 CE LYS A 121 -3.543 -12.066 -6.753 1.00 0.00 C ATOM 1796 NZ LYS A 121 -4.301 -13.213 -6.180 1.00 0.00 N ATOM 0 H LYS A 121 -2.316 -6.800 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.217 -9.789 -3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.795 -8.401 -5.096 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.343 -7.715 -5.797 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -2.635 -9.561 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -1.590 -10.278 -6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -3.573 -11.175 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -4.650 -10.402 -5.930 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.930 -11.818 -7.742 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -2.495 -12.336 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -4.998 -13.550 -6.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.642 -13.984 -5.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -4.793 -12.907 -5.316 1.00 0.00 H new ATOM 1810 N ASP A 122 0.174 -9.714 -4.464 1.00 0.00 N ATOM 1811 CA ASP A 122 1.641 -9.633 -4.674 1.00 0.00 C ATOM 1812 C ASP A 122 1.936 -9.034 -6.052 1.00 0.00 C ATOM 1813 O ASP A 122 1.187 -9.217 -6.991 1.00 0.00 O ATOM 1814 CB ASP A 122 2.251 -11.034 -4.584 1.00 0.00 C ATOM 1815 CG ASP A 122 1.653 -11.922 -5.676 1.00 0.00 C ATOM 1816 OD1 ASP A 122 0.438 -11.950 -5.792 1.00 0.00 O ATOM 1817 OD2 ASP A 122 2.419 -12.561 -6.377 1.00 0.00 O ATOM 0 H ASP A 122 -0.230 -10.645 -4.566 1.00 0.00 H new ATOM 0 HA ASP A 122 2.078 -8.997 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 122 3.334 -10.979 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 122 2.055 -11.465 -3.602 1.00 0.00 H new ATOM 1822 N TYR A 123 3.023 -8.318 -6.182 1.00 0.00 N ATOM 1823 CA TYR A 123 3.360 -7.707 -7.501 1.00 0.00 C ATOM 1824 C TYR A 123 4.865 -7.407 -7.560 1.00 0.00 C ATOM 1825 O TYR A 123 5.548 -7.424 -6.557 1.00 0.00 O ATOM 1826 CB TYR A 123 2.558 -6.407 -7.673 1.00 0.00 C ATOM 1827 CG TYR A 123 1.319 -6.676 -8.494 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.377 -6.605 -9.891 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.113 -6.996 -7.858 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.230 -6.855 -10.653 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -1.034 -7.245 -8.621 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.976 -7.175 -10.017 1.00 0.00 C ATOM 1833 OH TYR A 123 -2.108 -7.420 -10.768 1.00 0.00 O ATOM 0 H TYR A 123 3.690 -8.131 -5.433 1.00 0.00 H new ATOM 0 HA TYR A 123 3.106 -8.399 -8.304 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.280 -6.009 -6.697 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.173 -5.651 -8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.307 -6.357 -10.381 1.00 0.00 H new ATOM 0 HD2 TYR A 123 0.068 -7.051 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 123 0.275 -6.801 -11.731 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.965 -7.491 -8.131 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.857 -7.628 -10.172 1.00 0.00 H new ATOM 1843 N ASN A 124 5.383 -7.133 -8.731 1.00 0.00 N ATOM 1844 CA ASN A 124 6.841 -6.834 -8.857 1.00 0.00 C ATOM 1845 C ASN A 124 7.126 -5.452 -8.267 1.00 0.00 C ATOM 1846 O ASN A 124 6.560 -4.462 -8.677 1.00 0.00 O ATOM 1847 CB ASN A 124 7.240 -6.851 -10.334 1.00 0.00 C ATOM 1848 CG ASN A 124 6.833 -8.187 -10.957 1.00 0.00 C ATOM 1849 OD1 ASN A 124 5.665 -8.518 -11.003 1.00 0.00 O ATOM 1850 ND2 ASN A 124 7.754 -8.975 -11.443 1.00 0.00 N ATOM 0 H ASN A 124 4.858 -7.104 -9.605 1.00 0.00 H new ATOM 0 HA ASN A 124 7.416 -7.587 -8.318 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.756 -6.029 -10.862 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.316 -6.704 -10.433 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.493 -9.868 -11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.735 -8.698 -11.405 1.00 0.00 H new ATOM 1857 N CYS A 125 7.992 -5.387 -7.295 1.00 0.00 N ATOM 1858 CA CYS A 125 8.312 -4.080 -6.646 1.00 0.00 C ATOM 1859 C CYS A 125 8.719 -3.032 -7.686 1.00 0.00 C ATOM 1860 O CYS A 125 8.926 -1.880 -7.355 1.00 0.00 O ATOM 1861 CB CYS A 125 9.471 -4.273 -5.664 1.00 0.00 C ATOM 1862 SG CYS A 125 9.013 -5.478 -4.391 1.00 0.00 S ATOM 0 H CYS A 125 8.497 -6.189 -6.918 1.00 0.00 H new ATOM 0 HA CYS A 125 7.420 -3.731 -6.125 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.357 -4.615 -6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.727 -3.321 -5.199 1.00 0.00 H new ATOM 1867 N ASN A 126 8.856 -3.405 -8.929 1.00 0.00 N ATOM 1868 CA ASN A 126 9.274 -2.402 -9.954 1.00 0.00 C ATOM 1869 C ASN A 126 8.057 -1.862 -10.712 1.00 0.00 C ATOM 1870 O ASN A 126 8.024 -0.708 -11.094 1.00 0.00 O ATOM 1871 CB ASN A 126 10.242 -3.055 -10.943 1.00 0.00 C ATOM 1872 CG ASN A 126 11.262 -3.900 -10.176 1.00 0.00 C ATOM 1873 OD1 ASN A 126 10.918 -4.915 -9.604 1.00 0.00 O ATOM 1874 ND2 ASN A 126 12.510 -3.522 -10.142 1.00 0.00 N ATOM 0 H ASN A 126 8.699 -4.350 -9.279 1.00 0.00 H new ATOM 0 HA ASN A 126 9.766 -1.572 -9.447 1.00 0.00 H new ATOM 0 HB2 ASN A 126 9.693 -3.680 -11.647 1.00 0.00 H new ATOM 0 HB3 ASN A 126 10.753 -2.290 -11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 126 13.198 -4.079 -9.635 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.798 -2.670 -10.623 1.00 0.00 H new ATOM 1881 N VAL A 127 7.050 -2.665 -10.930 1.00 0.00 N ATOM 1882 CA VAL A 127 5.852 -2.146 -11.656 1.00 0.00 C ATOM 1883 C VAL A 127 5.366 -0.913 -10.903 1.00 0.00 C ATOM 1884 O VAL A 127 5.228 -0.940 -9.697 1.00 0.00 O ATOM 1885 CB VAL A 127 4.753 -3.215 -11.673 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.412 -2.579 -12.056 1.00 0.00 C ATOM 1887 CG2 VAL A 127 5.111 -4.296 -12.696 1.00 0.00 C ATOM 0 H VAL A 127 7.003 -3.643 -10.643 1.00 0.00 H new ATOM 0 HA VAL A 127 6.101 -1.895 -12.687 1.00 0.00 H new ATOM 0 HB VAL A 127 4.670 -3.659 -10.681 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.636 -3.344 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.153 -1.810 -11.329 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.492 -2.130 -13.046 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.331 -5.057 -12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.197 -3.847 -13.685 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.061 -4.755 -12.423 1.00 0.00 H new ATOM 1897 N ARG A 128 5.139 0.186 -11.576 1.00 0.00 N ATOM 1898 CA ARG A 128 4.713 1.390 -10.832 1.00 0.00 C ATOM 1899 C ARG A 128 3.209 1.428 -10.722 1.00 0.00 C ATOM 1900 O ARG A 128 2.521 0.936 -11.593 1.00 0.00 O ATOM 1901 CB ARG A 128 5.211 2.638 -11.581 1.00 0.00 C ATOM 1902 CG ARG A 128 5.339 2.336 -13.079 1.00 0.00 C ATOM 1903 CD ARG A 128 5.829 3.586 -13.819 1.00 0.00 C ATOM 1904 NE ARG A 128 5.322 3.563 -15.221 1.00 0.00 N ATOM 1905 CZ ARG A 128 5.915 2.824 -16.118 1.00 0.00 C ATOM 1906 NH1 ARG A 128 6.126 1.557 -15.885 1.00 0.00 N ATOM 1907 NH2 ARG A 128 6.301 3.353 -17.247 1.00 0.00 N ATOM 0 H ARG A 128 5.230 0.294 -12.586 1.00 0.00 H new ATOM 0 HA ARG A 128 5.135 1.366 -9.827 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.518 3.465 -11.427 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.176 2.951 -11.181 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.036 1.513 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.376 2.019 -13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.480 4.484 -13.309 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.918 3.620 -13.815 1.00 0.00 H new ATOM 0 HE ARG A 128 4.511 4.125 -15.479 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.827 1.144 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.590 0.980 -16.587 1.00 0.00 H new ATOM 0 HH21 ARG A 128 6.139 4.344 -17.428 1.00 0.00 H new ATOM 0 HH22 ARG A 128 6.765 2.776 -17.949 1.00 0.00 H new ATOM 1921 N LEU A 129 2.657 1.988 -9.664 1.00 0.00 N ATOM 1922 CA LEU A 129 1.151 1.969 -9.617 1.00 0.00 C ATOM 1923 C LEU A 129 0.641 3.222 -8.961 1.00 0.00 C ATOM 1924 O LEU A 129 1.351 3.819 -8.176 1.00 0.00 O ATOM 1925 CB LEU A 129 0.697 0.773 -8.768 1.00 0.00 C ATOM 1926 CG LEU A 129 0.664 -0.516 -9.606 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.620 -1.551 -9.006 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.753 -1.078 -9.593 1.00 0.00 C ATOM 0 H LEU A 129 3.141 2.428 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 129 0.764 1.898 -10.634 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.373 0.645 -7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.293 0.969 -8.357 1.00 0.00 H new ATOM 0 HG LEU A 129 0.971 -0.293 -10.628 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.592 -2.462 -9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.634 -1.151 -9.002 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.316 -1.778 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.787 -1.993 -10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.048 -1.298 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.439 -0.345 -10.018 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.579 3.617 -9.183 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.086 4.795 -8.457 1.00 0.00 C ATOM 1942 C PRO A 130 -0.922 4.493 -6.965 1.00 0.00 C ATOM 1943 O PRO A 130 -1.145 3.373 -6.552 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.556 4.853 -8.889 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.826 3.693 -9.867 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.506 2.951 -10.130 1.00 0.00 C ATOM 0 HA PRO A 130 -0.584 5.742 -8.655 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.209 4.775 -8.020 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.773 5.809 -9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.566 3.011 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.237 4.075 -10.801 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.593 1.883 -9.932 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.178 3.058 -11.164 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.475 5.410 -6.154 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.257 5.034 -4.721 1.00 0.00 C ATOM 1956 C TYR A 131 -0.695 6.127 -3.753 1.00 0.00 C ATOM 1957 O TYR A 131 -1.085 7.210 -4.140 1.00 0.00 O ATOM 1958 CB TYR A 131 1.237 4.785 -4.515 1.00 0.00 C ATOM 1959 CG TYR A 131 1.988 6.085 -4.683 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.143 6.642 -5.958 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.529 6.734 -3.566 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.839 7.845 -6.118 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.225 7.939 -3.727 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.379 8.494 -5.002 1.00 0.00 C ATOM 1965 OH TYR A 131 4.064 9.682 -5.159 1.00 0.00 O ATOM 0 H TYR A 131 -0.256 6.374 -6.405 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.857 4.147 -4.515 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.415 4.375 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.597 4.048 -5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.725 6.142 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.410 6.306 -2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.959 8.273 -7.102 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.643 8.440 -2.866 1.00 0.00 H new ATOM 0 HH TYR A 131 4.372 10.000 -4.285 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.595 5.837 -2.475 1.00 0.00 N ATOM 1976 CA VAL A 132 -0.964 6.840 -1.437 1.00 0.00 C ATOM 1977 C VAL A 132 0.281 7.121 -0.598 1.00 0.00 C ATOM 1978 O VAL A 132 1.202 6.329 -0.568 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.078 6.282 -0.549 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.381 7.267 0.583 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.344 6.073 -1.384 1.00 0.00 C ATOM 0 H VAL A 132 -0.271 4.941 -2.110 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.324 7.758 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.754 5.331 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.175 6.865 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.484 7.419 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.700 8.220 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.137 5.675 -0.750 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.662 7.026 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.136 5.369 -2.190 1.00 0.00 H new ATOM 1991 N CYS A 133 0.341 8.240 0.068 1.00 0.00 N ATOM 1992 CA CYS A 133 1.556 8.551 0.879 1.00 0.00 C ATOM 1993 C CYS A 133 1.159 9.208 2.205 1.00 0.00 C ATOM 1994 O CYS A 133 0.398 10.152 2.232 1.00 0.00 O ATOM 1995 CB CYS A 133 2.444 9.506 0.076 1.00 0.00 C ATOM 1996 SG CYS A 133 3.739 10.186 1.139 1.00 0.00 S ATOM 0 H CYS A 133 -0.392 8.949 0.088 1.00 0.00 H new ATOM 0 HA CYS A 133 2.094 7.629 1.099 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.893 8.978 -0.765 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.841 10.314 -0.339 1.00 0.00 H new ATOM 2001 N LYS A 134 1.682 8.721 3.306 1.00 0.00 N ATOM 2002 CA LYS A 134 1.341 9.324 4.633 1.00 0.00 C ATOM 2003 C LYS A 134 2.490 10.234 5.079 1.00 0.00 C ATOM 2004 O LYS A 134 3.622 10.041 4.687 1.00 0.00 O ATOM 2005 CB LYS A 134 1.140 8.204 5.661 1.00 0.00 C ATOM 2006 CG LYS A 134 2.497 7.611 6.058 1.00 0.00 C ATOM 2007 CD LYS A 134 2.286 6.302 6.823 1.00 0.00 C ATOM 2008 CE LYS A 134 1.753 6.608 8.225 1.00 0.00 C ATOM 2009 NZ LYS A 134 1.841 5.383 9.070 1.00 0.00 N ATOM 0 H LYS A 134 2.329 7.933 3.342 1.00 0.00 H new ATOM 0 HA LYS A 134 0.424 9.908 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.632 8.595 6.543 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.501 7.426 5.244 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.100 7.430 5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 134 3.047 8.320 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.583 5.665 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.225 5.753 6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 134 2.329 7.416 8.676 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.719 6.948 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 1.286 5.520 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 1.464 4.570 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 2.835 5.204 9.319 1.00 0.00 H new ATOM 2023 N PHE A 135 2.214 11.227 5.888 1.00 0.00 N ATOM 2024 CA PHE A 135 3.318 12.140 6.333 1.00 0.00 C ATOM 2025 C PHE A 135 2.788 13.179 7.326 1.00 0.00 C ATOM 2026 O PHE A 135 1.928 13.972 7.005 1.00 0.00 O ATOM 2027 CB PHE A 135 3.897 12.873 5.122 1.00 0.00 C ATOM 2028 CG PHE A 135 2.802 13.640 4.414 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.014 13.004 3.445 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.578 14.987 4.723 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.003 13.716 2.788 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.565 15.697 4.066 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.778 15.062 3.098 1.00 0.00 C ATOM 0 H PHE A 135 1.288 11.445 6.256 1.00 0.00 H new ATOM 0 HA PHE A 135 4.089 11.539 6.815 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.684 13.556 5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.354 12.158 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.186 11.965 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 135 3.186 15.479 5.468 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.396 13.226 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 135 1.391 16.735 4.306 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.002 15.610 2.591 1.00 0.00 H new