USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=34 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 63 TYR OH : rot -106:sc= 1.03 USER MOD Set 1.2: A 112 SER OG : rot 60:sc= 0.768! USER MOD Set 2.1: A 31 GLN : amide:sc= -0.0334 K(o=-3,f=-4.3) USER MOD Set 2.2: A 37 ASN : amide:sc= -2.98! C(o=-3!,f=-4.4!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.14) USER MOD Single : A 9 TYR OH : rot 15:sc= -0.11 USER MOD Single : A 11 SER OG : rot -62:sc= 0.972 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.8! C(o=-4.3!,f=-2.8!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 133:sc= -0.478 USER MOD Single : A 19 SER OG : rot 180:sc= -0.467 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= -0.0606 (180deg=-0.554) USER MOD Single : A 22 SER OG : rot -90:sc= 0.839 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -2.6! (180deg=-5.11!) USER MOD Single : A 35 SER OG : rot -49:sc= 0.0214 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 61:sc= 1.09! USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 32:sc= 0.209 USER MOD Single : A 69 HIS :FLIP no HE2:sc= -0.785 F(o=-1.7,f=-0.79) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 161:sc= -0.102 (180deg=-0.518) USER MOD Single : A 91 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.14) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HE2:sc= -0.37 F(o=-0.94,f=-0.37) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0.00703 USER MOD Single : A 115 THR OG1 : rot -33:sc= 0.584 USER MOD Single : A 121 LYS NZ :NH3+ -161:sc= -0.0161 (180deg=-0.253) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN :FLIP amide:sc= -0.367 F(o=-6.2!,f=-0.37) USER MOD Single : A 126 ASN : amide:sc= -0.0996 K(o=-0.1,f=-1.2) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 134 LYS NZ :NH3+ -135:sc= -1.02 (180deg=-3.99!) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.339 15.231 0.482 1.00 0.00 N ATOM 81 CA SER A 6 -5.486 14.535 1.488 1.00 0.00 C ATOM 82 C SER A 6 -6.318 14.257 2.743 1.00 0.00 C ATOM 83 O SER A 6 -7.163 15.044 3.120 1.00 0.00 O ATOM 84 CB SER A 6 -4.294 15.423 1.850 1.00 0.00 C ATOM 85 OG SER A 6 -4.636 16.237 2.964 1.00 0.00 O ATOM 0 HA SER A 6 -5.121 13.595 1.074 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.426 14.808 2.087 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.019 16.047 1.000 1.00 0.00 H new ATOM 0 HG SER A 6 -3.874 16.806 3.199 1.00 0.00 H new ATOM 91 N LYS A 7 -6.093 13.140 3.392 1.00 0.00 N ATOM 92 CA LYS A 7 -6.884 12.819 4.621 1.00 0.00 C ATOM 93 C LYS A 7 -5.933 12.383 5.735 1.00 0.00 C ATOM 94 O LYS A 7 -5.019 11.621 5.512 1.00 0.00 O ATOM 95 CB LYS A 7 -7.866 11.675 4.327 1.00 0.00 C ATOM 96 CG LYS A 7 -8.640 11.957 3.031 1.00 0.00 C ATOM 97 CD LYS A 7 -9.790 12.933 3.309 1.00 0.00 C ATOM 98 CE LYS A 7 -10.202 13.623 2.008 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.701 12.605 1.041 1.00 0.00 N ATOM 0 H LYS A 7 -5.400 12.441 3.126 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.440 13.705 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.323 10.734 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.563 11.562 5.158 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.969 12.376 2.281 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.033 11.026 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.640 12.398 3.734 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.481 13.676 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.978 14.363 2.206 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.353 14.158 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.152 13.083 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.904 12.029 0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.396 11.991 1.511 1.00 0.00 H new ATOM 113 N ALA A 8 -6.139 12.861 6.933 1.00 0.00 N ATOM 114 CA ALA A 8 -5.238 12.470 8.056 1.00 0.00 C ATOM 115 C ALA A 8 -5.753 11.190 8.714 1.00 0.00 C ATOM 116 O ALA A 8 -6.915 10.846 8.606 1.00 0.00 O ATOM 117 CB ALA A 8 -5.193 13.593 9.093 1.00 0.00 C ATOM 0 H ALA A 8 -6.891 13.504 7.182 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.236 12.295 7.665 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.534 13.305 9.912 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.816 14.504 8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.196 13.772 9.480 1.00 0.00 H new ATOM 123 N TYR A 9 -4.896 10.485 9.399 1.00 0.00 N ATOM 124 CA TYR A 9 -5.325 9.227 10.069 1.00 0.00 C ATOM 125 C TYR A 9 -4.186 8.717 10.957 1.00 0.00 C ATOM 126 O TYR A 9 -3.039 8.698 10.562 1.00 0.00 O ATOM 127 CB TYR A 9 -5.663 8.173 9.010 1.00 0.00 C ATOM 128 CG TYR A 9 -6.546 7.109 9.616 1.00 0.00 C ATOM 129 CD1 TYR A 9 -7.939 7.256 9.593 1.00 0.00 C ATOM 130 CD2 TYR A 9 -5.973 5.973 10.202 1.00 0.00 C ATOM 131 CE1 TYR A 9 -8.757 6.270 10.155 1.00 0.00 C ATOM 132 CE2 TYR A 9 -6.792 4.986 10.764 1.00 0.00 C ATOM 133 CZ TYR A 9 -8.184 5.135 10.741 1.00 0.00 C ATOM 134 OH TYR A 9 -8.993 4.163 11.295 1.00 0.00 O ATOM 0 H TYR A 9 -3.913 10.728 9.524 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.207 9.418 10.680 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.168 8.641 8.165 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.748 7.724 8.625 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.382 8.131 9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.899 5.858 10.220 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -9.831 6.384 10.137 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.350 4.110 11.215 1.00 0.00 H new ATOM 0 HH TYR A 9 -9.916 4.293 10.992 1.00 0.00 H new ATOM 144 N GLY A 10 -4.490 8.308 12.156 1.00 0.00 N ATOM 145 CA GLY A 10 -3.415 7.807 13.059 1.00 0.00 C ATOM 146 C GLY A 10 -2.514 8.972 13.472 1.00 0.00 C ATOM 147 O GLY A 10 -2.571 9.445 14.588 1.00 0.00 O ATOM 0 H GLY A 10 -5.431 8.298 12.550 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.854 7.342 13.942 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.828 7.040 12.553 1.00 0.00 H new ATOM 151 N SER A 11 -1.682 9.442 12.578 1.00 0.00 N ATOM 152 CA SER A 11 -0.782 10.578 12.930 1.00 0.00 C ATOM 153 C SER A 11 0.030 11.004 11.702 1.00 0.00 C ATOM 154 O SER A 11 1.180 11.379 11.810 1.00 0.00 O ATOM 155 CB SER A 11 0.173 10.145 14.042 1.00 0.00 C ATOM 156 OG SER A 11 1.225 11.094 14.156 1.00 0.00 O ATOM 0 H SER A 11 -1.588 9.090 11.625 1.00 0.00 H new ATOM 0 HA SER A 11 -1.386 11.419 13.270 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.364 10.065 14.987 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.581 9.158 13.823 1.00 0.00 H new ATOM 0 HG SER A 11 1.732 11.122 13.318 1.00 0.00 H new ATOM 162 N HIS A 12 -0.555 10.954 10.534 1.00 0.00 N ATOM 163 CA HIS A 12 0.182 11.359 9.312 1.00 0.00 C ATOM 164 C HIS A 12 -0.824 11.843 8.268 1.00 0.00 C ATOM 165 O HIS A 12 -1.939 11.368 8.203 1.00 0.00 O ATOM 166 CB HIS A 12 0.947 10.155 8.757 1.00 0.00 C ATOM 167 CG HIS A 12 1.795 9.545 9.838 1.00 0.00 C ATOM 168 ND1 HIS A 12 1.496 8.680 10.861 1.00 0.00 N flip ATOM 169 CD2 HIS A 12 3.152 9.805 9.948 1.00 0.00 C flip ATOM 170 CE1 HIS A 12 2.646 8.407 11.596 1.00 0.00 C flip ATOM 171 NE2 HIS A 12 3.614 9.110 11.003 1.00 0.00 N flip ATOM 0 H HIS A 12 -1.516 10.648 10.378 1.00 0.00 H new ATOM 0 HA HIS A 12 0.886 12.157 9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.246 9.415 8.371 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.575 10.466 7.922 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.733 10.449 9.304 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.736 7.765 12.460 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.586 9.119 11.312 1.00 0.00 H new ATOM 179 N CYS A 13 -0.441 12.776 7.443 1.00 0.00 N ATOM 180 CA CYS A 13 -1.382 13.271 6.400 1.00 0.00 C ATOM 181 C CYS A 13 -1.271 12.348 5.189 1.00 0.00 C ATOM 182 O CYS A 13 -0.194 12.102 4.684 1.00 0.00 O ATOM 183 CB CYS A 13 -1.005 14.706 6.009 1.00 0.00 C ATOM 184 SG CYS A 13 -2.244 15.858 6.657 1.00 0.00 S ATOM 0 H CYS A 13 0.479 13.216 7.445 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.406 13.273 6.775 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.020 14.955 6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -0.944 14.794 4.924 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.921 17.073 6.327 1.00 0.00 H new ATOM 189 N TYR A 14 -2.372 11.816 4.728 1.00 0.00 N ATOM 190 CA TYR A 14 -2.314 10.893 3.562 1.00 0.00 C ATOM 191 C TYR A 14 -2.701 11.643 2.290 1.00 0.00 C ATOM 192 O TYR A 14 -3.571 12.489 2.298 1.00 0.00 O ATOM 193 CB TYR A 14 -3.279 9.724 3.784 1.00 0.00 C ATOM 194 CG TYR A 14 -2.849 8.935 5.002 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.975 9.493 6.280 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.326 7.644 4.854 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.581 8.763 7.407 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.930 6.915 5.984 1.00 0.00 C ATOM 199 CZ TYR A 14 -2.059 7.475 7.259 1.00 0.00 C ATOM 200 OH TYR A 14 -1.673 6.755 8.371 1.00 0.00 O ATOM 0 H TYR A 14 -3.304 11.981 5.108 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.299 10.510 3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.294 10.098 3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.292 9.078 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.377 10.489 6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.228 7.210 3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.680 9.195 8.392 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.525 5.920 5.870 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.042 5.848 8.318 1.00 0.00 H new ATOM 210 N ALA A 15 -2.058 11.338 1.193 1.00 0.00 N ATOM 211 CA ALA A 15 -2.384 12.031 -0.086 1.00 0.00 C ATOM 212 C ALA A 15 -2.374 11.017 -1.230 1.00 0.00 C ATOM 213 O ALA A 15 -1.461 10.226 -1.369 1.00 0.00 O ATOM 214 CB ALA A 15 -1.340 13.116 -0.358 1.00 0.00 C ATOM 0 H ALA A 15 -1.320 10.637 1.129 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.371 12.487 -0.012 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.578 13.623 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.345 13.838 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.353 12.660 -0.433 1.00 0.00 H new ATOM 220 N LEU A 16 -3.387 11.034 -2.051 1.00 0.00 N ATOM 221 CA LEU A 16 -3.451 10.075 -3.190 1.00 0.00 C ATOM 222 C LEU A 16 -2.806 10.709 -4.425 1.00 0.00 C ATOM 223 O LEU A 16 -3.039 11.863 -4.733 1.00 0.00 O ATOM 224 CB LEU A 16 -4.924 9.744 -3.474 1.00 0.00 C ATOM 225 CG LEU A 16 -5.063 9.028 -4.822 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.249 7.730 -4.814 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.539 8.701 -5.066 1.00 0.00 C ATOM 0 H LEU A 16 -4.178 11.674 -1.982 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.913 9.160 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.321 9.114 -2.678 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.514 10.660 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.689 9.676 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.354 7.229 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.198 7.961 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.615 7.076 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.645 8.191 -6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.905 8.055 -4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.119 9.624 -5.080 1.00 0.00 H new ATOM 239 N PHE A 17 -2.008 9.960 -5.143 1.00 0.00 N ATOM 240 CA PHE A 17 -1.356 10.496 -6.363 1.00 0.00 C ATOM 241 C PHE A 17 -1.754 9.605 -7.534 1.00 0.00 C ATOM 242 O PHE A 17 -1.435 8.432 -7.572 1.00 0.00 O ATOM 243 CB PHE A 17 0.164 10.472 -6.187 1.00 0.00 C ATOM 244 CG PHE A 17 0.587 11.608 -5.285 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.807 12.881 -5.823 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.756 11.388 -3.914 1.00 0.00 C ATOM 247 CE1 PHE A 17 1.198 13.935 -4.988 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.146 12.441 -3.079 1.00 0.00 C ATOM 249 CZ PHE A 17 1.368 13.715 -3.615 1.00 0.00 C ATOM 0 H PHE A 17 -1.782 8.989 -4.928 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.669 11.524 -6.544 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.476 9.519 -5.759 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.654 10.562 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.675 13.050 -6.881 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.585 10.405 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.369 14.918 -5.403 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.276 12.271 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.670 14.527 -2.971 1.00 0.00 H new ATOM 259 N LEU A 18 -2.447 10.152 -8.487 1.00 0.00 N ATOM 260 CA LEU A 18 -2.866 9.339 -9.655 1.00 0.00 C ATOM 261 C LEU A 18 -1.638 9.089 -10.508 1.00 0.00 C ATOM 262 O LEU A 18 -1.726 8.657 -11.641 1.00 0.00 O ATOM 263 CB LEU A 18 -3.920 10.103 -10.464 1.00 0.00 C ATOM 264 CG LEU A 18 -4.863 10.837 -9.509 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.017 11.451 -10.304 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.423 9.846 -8.484 1.00 0.00 C ATOM 0 H LEU A 18 -2.742 11.128 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.300 8.394 -9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.435 10.815 -11.132 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.485 9.412 -11.090 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.316 11.626 -8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.689 11.974 -9.624 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.621 12.155 -11.036 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.564 10.662 -10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.095 10.368 -7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.970 9.058 -9.001 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.602 9.406 -7.917 1.00 0.00 H new ATOM 278 N SER A 19 -0.487 9.368 -9.966 1.00 0.00 N ATOM 279 CA SER A 19 0.764 9.152 -10.748 1.00 0.00 C ATOM 280 C SER A 19 1.362 7.779 -10.406 1.00 0.00 C ATOM 281 O SER A 19 1.670 7.503 -9.263 1.00 0.00 O ATOM 282 CB SER A 19 1.786 10.241 -10.422 1.00 0.00 C ATOM 283 OG SER A 19 1.302 11.038 -9.347 1.00 0.00 O ATOM 0 H SER A 19 -0.357 9.734 -9.023 1.00 0.00 H new ATOM 0 HA SER A 19 0.522 9.192 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.741 9.790 -10.153 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.963 10.863 -11.299 1.00 0.00 H new ATOM 0 HG SER A 19 1.957 11.735 -9.136 1.00 0.00 H new ATOM 289 N PRO A 20 1.537 6.926 -11.385 1.00 0.00 N ATOM 290 CA PRO A 20 2.122 5.577 -11.141 1.00 0.00 C ATOM 291 C PRO A 20 3.567 5.662 -10.624 1.00 0.00 C ATOM 292 O PRO A 20 4.300 6.567 -10.967 1.00 0.00 O ATOM 293 CB PRO A 20 2.080 4.937 -12.531 1.00 0.00 C ATOM 294 CG PRO A 20 1.495 5.947 -13.529 1.00 0.00 C ATOM 295 CD PRO A 20 1.163 7.240 -12.790 1.00 0.00 C ATOM 0 HA PRO A 20 1.583 5.015 -10.379 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.083 4.641 -12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.472 4.032 -12.511 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.209 6.143 -14.329 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.598 5.539 -13.996 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.731 8.085 -13.180 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.107 7.497 -12.879 1.00 0.00 H new ATOM 303 N LYS A 21 3.985 4.726 -9.811 1.00 0.00 N ATOM 304 CA LYS A 21 5.386 4.768 -9.290 1.00 0.00 C ATOM 305 C LYS A 21 5.780 3.386 -8.755 1.00 0.00 C ATOM 306 O LYS A 21 5.091 2.812 -7.940 1.00 0.00 O ATOM 307 CB LYS A 21 5.476 5.796 -8.152 1.00 0.00 C ATOM 308 CG LYS A 21 5.656 7.210 -8.721 1.00 0.00 C ATOM 309 CD LYS A 21 6.292 8.112 -7.660 1.00 0.00 C ATOM 310 CE LYS A 21 6.486 9.518 -8.232 1.00 0.00 C ATOM 311 NZ LYS A 21 7.455 9.463 -9.363 1.00 0.00 N ATOM 0 H LYS A 21 3.422 3.940 -9.487 1.00 0.00 H new ATOM 0 HA LYS A 21 6.062 5.051 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.573 5.754 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.313 5.551 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.285 7.178 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.692 7.615 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.657 8.153 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.251 7.701 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.532 9.918 -8.575 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.853 10.191 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.859 10.408 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.218 8.794 -9.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.965 9.148 -10.225 1.00 0.00 H new ATOM 325 N SER A 22 6.889 2.852 -9.194 1.00 0.00 N ATOM 326 CA SER A 22 7.323 1.513 -8.694 1.00 0.00 C ATOM 327 C SER A 22 7.214 1.486 -7.170 1.00 0.00 C ATOM 328 O SER A 22 7.350 2.498 -6.514 1.00 0.00 O ATOM 329 CB SER A 22 8.771 1.260 -9.109 1.00 0.00 C ATOM 330 OG SER A 22 8.844 1.168 -10.526 1.00 0.00 O ATOM 0 H SER A 22 7.513 3.284 -9.876 1.00 0.00 H new ATOM 0 HA SER A 22 6.686 0.738 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.410 2.068 -8.752 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.136 0.339 -8.654 1.00 0.00 H new ATOM 0 HG SER A 22 8.721 0.235 -10.800 1.00 0.00 H new ATOM 336 N TRP A 23 6.970 0.339 -6.596 1.00 0.00 N ATOM 337 CA TRP A 23 6.863 0.272 -5.112 1.00 0.00 C ATOM 338 C TRP A 23 8.168 0.778 -4.514 1.00 0.00 C ATOM 339 O TRP A 23 8.231 1.191 -3.377 1.00 0.00 O ATOM 340 CB TRP A 23 6.631 -1.175 -4.671 1.00 0.00 C ATOM 341 CG TRP A 23 6.696 -1.257 -3.178 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.625 -1.318 -2.355 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.874 -1.285 -2.321 1.00 0.00 C ATOM 344 NE1 TRP A 23 6.069 -1.381 -1.048 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.448 -1.364 -0.974 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.256 -1.250 -2.577 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.360 -1.408 0.081 1.00 0.00 C ATOM 348 CZ3 TRP A 23 10.178 -1.294 -1.519 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.730 -1.372 -0.192 1.00 0.00 C ATOM 0 H TRP A 23 6.841 -0.546 -7.086 1.00 0.00 H new ATOM 0 HA TRP A 23 6.027 0.883 -4.773 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.660 -1.523 -5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.383 -1.827 -5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.591 -1.318 -2.668 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.453 -1.434 -0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.611 -1.189 -3.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.010 -1.469 1.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.237 -1.268 -1.728 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.443 -1.404 0.618 1.00 0.00 H new ATOM 360 N THR A 24 9.213 0.748 -5.288 1.00 0.00 N ATOM 361 CA THR A 24 10.534 1.224 -4.795 1.00 0.00 C ATOM 362 C THR A 24 10.686 2.704 -5.141 1.00 0.00 C ATOM 363 O THR A 24 11.499 3.412 -4.579 1.00 0.00 O ATOM 364 CB THR A 24 11.643 0.411 -5.468 1.00 0.00 C ATOM 365 OG1 THR A 24 12.863 0.605 -4.768 1.00 0.00 O ATOM 366 CG2 THR A 24 11.807 0.856 -6.922 1.00 0.00 C ATOM 0 H THR A 24 9.209 0.411 -6.251 1.00 0.00 H new ATOM 0 HA THR A 24 10.603 1.096 -3.715 1.00 0.00 H new ATOM 0 HB THR A 24 11.376 -0.646 -5.448 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.573 0.084 -5.197 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.598 0.273 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.871 0.699 -7.458 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.069 1.914 -6.951 1.00 0.00 H new ATOM 374 N ASP A 25 9.902 3.168 -6.069 1.00 0.00 N ATOM 375 CA ASP A 25 9.974 4.600 -6.481 1.00 0.00 C ATOM 376 C ASP A 25 9.064 5.428 -5.582 1.00 0.00 C ATOM 377 O ASP A 25 9.427 6.499 -5.139 1.00 0.00 O ATOM 378 CB ASP A 25 9.521 4.744 -7.936 1.00 0.00 C ATOM 379 CG ASP A 25 10.650 4.305 -8.873 1.00 0.00 C ATOM 380 OD1 ASP A 25 11.523 3.584 -8.415 1.00 0.00 O ATOM 381 OD2 ASP A 25 10.622 4.696 -10.027 1.00 0.00 O ATOM 0 H ASP A 25 9.206 2.613 -6.567 1.00 0.00 H new ATOM 0 HA ASP A 25 11.002 4.952 -6.389 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.632 4.138 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.247 5.779 -8.141 1.00 0.00 H new ATOM 386 N ALA A 26 7.890 4.938 -5.287 1.00 0.00 N ATOM 387 CA ALA A 26 6.991 5.703 -4.400 1.00 0.00 C ATOM 388 C ALA A 26 7.523 5.543 -2.986 1.00 0.00 C ATOM 389 O ALA A 26 7.414 6.424 -2.160 1.00 0.00 O ATOM 390 CB ALA A 26 5.576 5.150 -4.502 1.00 0.00 C ATOM 0 H ALA A 26 7.524 4.047 -5.623 1.00 0.00 H new ATOM 0 HA ALA A 26 6.959 6.756 -4.681 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.916 5.717 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.226 5.234 -5.531 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.572 4.102 -4.202 1.00 0.00 H new ATOM 396 N ASP A 27 8.117 4.419 -2.712 1.00 0.00 N ATOM 397 CA ASP A 27 8.684 4.191 -1.367 1.00 0.00 C ATOM 398 C ASP A 27 9.787 5.222 -1.117 1.00 0.00 C ATOM 399 O ASP A 27 9.863 5.830 -0.068 1.00 0.00 O ATOM 400 CB ASP A 27 9.279 2.785 -1.328 1.00 0.00 C ATOM 401 CG ASP A 27 10.070 2.593 -0.032 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.448 2.510 1.014 1.00 0.00 O ATOM 403 OD2 ASP A 27 11.287 2.530 -0.108 1.00 0.00 O ATOM 0 H ASP A 27 8.233 3.647 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 27 7.914 4.289 -0.602 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.484 2.042 -1.393 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.930 2.632 -2.189 1.00 0.00 H new ATOM 408 N LEU A 28 10.642 5.422 -2.083 1.00 0.00 N ATOM 409 CA LEU A 28 11.748 6.408 -1.918 1.00 0.00 C ATOM 410 C LEU A 28 11.191 7.833 -1.983 1.00 0.00 C ATOM 411 O LEU A 28 11.661 8.723 -1.301 1.00 0.00 O ATOM 412 CB LEU A 28 12.772 6.212 -3.041 1.00 0.00 C ATOM 413 CG LEU A 28 14.040 7.025 -2.740 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.986 6.207 -1.856 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.749 7.368 -4.052 1.00 0.00 C ATOM 0 H LEU A 28 10.622 4.943 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 28 12.226 6.254 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.021 5.155 -3.137 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.345 6.527 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 28 13.761 7.941 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.883 6.790 -1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.486 5.961 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.263 5.288 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.649 7.945 -3.839 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.022 6.448 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.082 7.955 -4.683 1.00 0.00 H new ATOM 427 N ALA A 29 10.204 8.062 -2.803 1.00 0.00 N ATOM 428 CA ALA A 29 9.635 9.435 -2.913 1.00 0.00 C ATOM 429 C ALA A 29 8.811 9.761 -1.669 1.00 0.00 C ATOM 430 O ALA A 29 9.072 10.725 -0.982 1.00 0.00 O ATOM 431 CB ALA A 29 8.739 9.523 -4.139 1.00 0.00 C ATOM 0 H ALA A 29 9.767 7.360 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 29 10.454 10.148 -3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.325 10.528 -4.216 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.322 9.302 -5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.927 8.802 -4.048 1.00 0.00 H new ATOM 437 N CYS A 30 7.818 8.970 -1.367 1.00 0.00 N ATOM 438 CA CYS A 30 7.001 9.256 -0.163 1.00 0.00 C ATOM 439 C CYS A 30 7.919 9.208 1.055 1.00 0.00 C ATOM 440 O CYS A 30 7.571 9.660 2.126 1.00 0.00 O ATOM 441 CB CYS A 30 5.897 8.209 -0.028 1.00 0.00 C ATOM 442 SG CYS A 30 4.954 8.517 1.487 1.00 0.00 S ATOM 0 H CYS A 30 7.542 8.145 -1.900 1.00 0.00 H new ATOM 0 HA CYS A 30 6.537 10.239 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.237 8.248 -0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.331 7.209 -0.002 1.00 0.00 H new ATOM 447 N GLN A 31 9.099 8.674 0.892 1.00 0.00 N ATOM 448 CA GLN A 31 10.046 8.616 2.035 1.00 0.00 C ATOM 449 C GLN A 31 10.693 9.991 2.201 1.00 0.00 C ATOM 450 O GLN A 31 11.059 10.389 3.289 1.00 0.00 O ATOM 451 CB GLN A 31 11.124 7.560 1.769 1.00 0.00 C ATOM 452 CG GLN A 31 12.305 7.771 2.721 1.00 0.00 C ATOM 453 CD GLN A 31 13.174 6.513 2.748 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.666 5.411 2.784 1.00 0.00 O ATOM 455 NE2 GLN A 31 14.473 6.632 2.731 1.00 0.00 N ATOM 0 H GLN A 31 9.445 8.277 0.018 1.00 0.00 H new ATOM 0 HA GLN A 31 9.512 8.344 2.946 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.709 6.561 1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.463 7.626 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.897 8.627 2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.941 7.995 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.900 7.558 2.701 1.00 0.00 H new ATOM 0 HE22 GLN A 31 15.062 5.799 2.748 1.00 0.00 H new ATOM 464 N LYS A 32 10.829 10.725 1.128 1.00 0.00 N ATOM 465 CA LYS A 32 11.445 12.071 1.228 1.00 0.00 C ATOM 466 C LYS A 32 10.531 12.977 2.060 1.00 0.00 C ATOM 467 O LYS A 32 10.835 14.126 2.314 1.00 0.00 O ATOM 468 CB LYS A 32 11.634 12.658 -0.180 1.00 0.00 C ATOM 469 CG LYS A 32 10.373 13.416 -0.615 1.00 0.00 C ATOM 470 CD LYS A 32 10.361 13.562 -2.138 1.00 0.00 C ATOM 471 CE LYS A 32 9.093 14.301 -2.569 1.00 0.00 C ATOM 472 NZ LYS A 32 8.917 15.521 -1.730 1.00 0.00 N ATOM 0 H LYS A 32 10.539 10.447 0.190 1.00 0.00 H new ATOM 0 HA LYS A 32 12.419 11.999 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.492 13.330 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.848 11.858 -0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.483 12.881 -0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.347 14.399 -0.145 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.244 14.109 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.400 12.580 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.161 14.577 -3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.226 13.648 -2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.324 16.209 -2.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.457 15.263 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.846 15.944 -1.533 1.00 0.00 H new ATOM 486 N ARG A 33 9.406 12.461 2.474 1.00 0.00 N ATOM 487 CA ARG A 33 8.450 13.271 3.281 1.00 0.00 C ATOM 488 C ARG A 33 8.773 13.113 4.768 1.00 0.00 C ATOM 489 O ARG A 33 9.401 12.153 5.167 1.00 0.00 O ATOM 490 CB ARG A 33 7.027 12.777 3.000 1.00 0.00 C ATOM 491 CG ARG A 33 6.516 13.377 1.681 1.00 0.00 C ATOM 492 CD ARG A 33 5.922 14.767 1.929 1.00 0.00 C ATOM 493 NE ARG A 33 5.219 15.232 0.697 1.00 0.00 N ATOM 494 CZ ARG A 33 5.734 16.184 -0.034 1.00 0.00 C ATOM 495 NH1 ARG A 33 5.670 17.423 0.369 1.00 0.00 N ATOM 496 NH2 ARG A 33 6.312 15.896 -1.169 1.00 0.00 N ATOM 0 H ARG A 33 9.106 11.504 2.286 1.00 0.00 H new ATOM 0 HA ARG A 33 8.533 14.324 3.012 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.015 11.689 2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.366 13.061 3.819 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.333 13.445 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.761 12.723 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.226 14.733 2.767 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.711 15.469 2.198 1.00 0.00 H new ATOM 0 HE ARG A 33 4.334 14.805 0.425 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.218 17.648 1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.072 18.166 -0.202 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.361 14.927 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.714 16.640 -1.740 1.00 0.00 H new ATOM 510 N PRO A 34 8.344 14.044 5.592 1.00 0.00 N ATOM 511 CA PRO A 34 8.608 13.958 7.050 1.00 0.00 C ATOM 512 C PRO A 34 8.302 12.564 7.595 1.00 0.00 C ATOM 513 O PRO A 34 7.234 12.303 8.115 1.00 0.00 O ATOM 514 CB PRO A 34 7.661 15.027 7.621 1.00 0.00 C ATOM 515 CG PRO A 34 6.916 15.690 6.450 1.00 0.00 C ATOM 516 CD PRO A 34 7.567 15.228 5.144 1.00 0.00 C ATOM 0 HA PRO A 34 9.651 14.125 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.952 14.574 8.314 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.225 15.772 8.183 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.861 15.415 6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.964 16.776 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.826 14.968 4.388 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.207 15.997 4.712 1.00 0.00 H new ATOM 524 N SER A 35 9.233 11.664 7.460 1.00 0.00 N ATOM 525 CA SER A 35 9.013 10.279 7.944 1.00 0.00 C ATOM 526 C SER A 35 7.870 9.649 7.153 1.00 0.00 C ATOM 527 O SER A 35 7.311 8.644 7.546 1.00 0.00 O ATOM 528 CB SER A 35 8.669 10.299 9.435 1.00 0.00 C ATOM 529 OG SER A 35 8.980 9.033 10.005 1.00 0.00 O ATOM 0 H SER A 35 10.143 11.832 7.032 1.00 0.00 H new ATOM 0 HA SER A 35 9.920 9.692 7.801 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.230 11.086 9.939 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.611 10.523 9.573 1.00 0.00 H new ATOM 0 HG SER A 35 8.603 8.321 9.447 1.00 0.00 H new ATOM 535 N GLY A 36 7.518 10.229 6.038 1.00 0.00 N ATOM 536 CA GLY A 36 6.410 9.651 5.229 1.00 0.00 C ATOM 537 C GLY A 36 6.894 8.392 4.505 1.00 0.00 C ATOM 538 O GLY A 36 8.039 8.002 4.610 1.00 0.00 O ATOM 0 H GLY A 36 7.947 11.072 5.655 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.566 9.408 5.874 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.057 10.384 4.504 1.00 0.00 H new ATOM 542 N ASN A 37 6.020 7.761 3.772 1.00 0.00 N ATOM 543 CA ASN A 37 6.388 6.521 3.022 1.00 0.00 C ATOM 544 C ASN A 37 5.090 5.835 2.579 1.00 0.00 C ATOM 545 O ASN A 37 4.074 5.955 3.235 1.00 0.00 O ATOM 546 CB ASN A 37 7.200 5.578 3.925 1.00 0.00 C ATOM 547 CG ASN A 37 8.669 5.579 3.490 1.00 0.00 C ATOM 548 OD1 ASN A 37 9.008 5.044 2.454 1.00 0.00 O ATOM 549 ND2 ASN A 37 9.560 6.163 4.244 1.00 0.00 N ATOM 0 H ASN A 37 5.050 8.055 3.657 1.00 0.00 H new ATOM 0 HA ASN A 37 7.000 6.772 2.155 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.119 5.896 4.964 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.795 4.568 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.540 6.170 3.963 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.276 6.613 5.114 1.00 0.00 H new ATOM 556 N LEU A 38 5.109 5.135 1.467 1.00 0.00 N ATOM 557 CA LEU A 38 3.871 4.449 0.975 1.00 0.00 C ATOM 558 C LEU A 38 2.879 4.228 2.128 1.00 0.00 C ATOM 559 O LEU A 38 3.245 3.822 3.212 1.00 0.00 O ATOM 560 CB LEU A 38 4.255 3.099 0.371 1.00 0.00 C ATOM 561 CG LEU A 38 4.954 3.312 -0.973 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.685 2.031 -1.379 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.918 3.662 -2.042 1.00 0.00 C ATOM 0 H LEU A 38 5.932 5.010 0.878 1.00 0.00 H new ATOM 0 HA LEU A 38 3.395 5.077 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.913 2.560 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.365 2.485 0.235 1.00 0.00 H new ATOM 0 HG LEU A 38 5.671 4.128 -0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.183 2.184 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.427 1.779 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.967 1.216 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.419 3.813 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.200 2.847 -2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.396 4.576 -1.757 1.00 0.00 H new ATOM 575 N VAL A 39 1.627 4.508 1.891 1.00 0.00 N ATOM 576 CA VAL A 39 0.589 4.344 2.954 1.00 0.00 C ATOM 577 C VAL A 39 0.817 3.064 3.763 1.00 0.00 C ATOM 578 O VAL A 39 1.352 2.088 3.278 1.00 0.00 O ATOM 579 CB VAL A 39 -0.792 4.278 2.299 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.772 3.247 1.171 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.841 3.871 3.339 1.00 0.00 C ATOM 0 H VAL A 39 1.273 4.847 0.997 1.00 0.00 H new ATOM 0 HA VAL A 39 0.655 5.196 3.631 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.045 5.259 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.756 3.200 0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.030 3.537 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.516 2.268 1.577 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.823 3.826 2.867 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.589 2.892 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.859 4.605 4.144 1.00 0.00 H new ATOM 591 N SER A 40 0.390 3.077 4.999 1.00 0.00 N ATOM 592 CA SER A 40 0.542 1.877 5.881 1.00 0.00 C ATOM 593 C SER A 40 -0.851 1.314 6.206 1.00 0.00 C ATOM 594 O SER A 40 -1.853 1.834 5.756 1.00 0.00 O ATOM 595 CB SER A 40 1.249 2.291 7.171 1.00 0.00 C ATOM 596 OG SER A 40 2.643 2.062 7.031 1.00 0.00 O ATOM 0 H SER A 40 -0.063 3.877 5.442 1.00 0.00 H new ATOM 0 HA SER A 40 1.132 1.112 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.060 3.344 7.382 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.857 1.722 8.014 1.00 0.00 H new ATOM 0 HG SER A 40 3.102 2.327 7.855 1.00 0.00 H new ATOM 602 N VAL A 41 -0.932 0.254 6.978 1.00 0.00 N ATOM 603 CA VAL A 41 -2.275 -0.321 7.307 1.00 0.00 C ATOM 604 C VAL A 41 -2.160 -1.267 8.516 1.00 0.00 C ATOM 605 O VAL A 41 -1.920 -2.447 8.365 1.00 0.00 O ATOM 606 CB VAL A 41 -2.830 -1.103 6.089 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.174 -0.513 5.656 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.859 -1.029 4.902 1.00 0.00 C ATOM 0 H VAL A 41 -0.135 -0.232 7.390 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.956 0.495 7.551 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.954 -2.144 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.556 -1.069 4.800 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.884 -0.582 6.480 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.040 0.533 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.271 -1.585 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.715 0.012 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.900 -1.462 5.189 1.00 0.00 H new ATOM 618 N LEU A 42 -2.336 -0.763 9.715 1.00 0.00 N ATOM 619 CA LEU A 42 -2.241 -1.645 10.927 1.00 0.00 C ATOM 620 C LEU A 42 -3.597 -1.729 11.633 1.00 0.00 C ATOM 621 O LEU A 42 -3.683 -2.183 12.757 1.00 0.00 O ATOM 622 CB LEU A 42 -1.218 -1.075 11.910 1.00 0.00 C ATOM 623 CG LEU A 42 0.192 -1.257 11.360 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.172 -0.454 12.220 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.579 -2.736 11.403 1.00 0.00 C ATOM 0 H LEU A 42 -2.541 0.217 9.908 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.934 -2.639 10.601 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.417 -0.017 12.081 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.309 -1.576 12.874 1.00 0.00 H new ATOM 0 HG LEU A 42 0.227 -0.906 10.329 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.183 -0.579 11.833 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.901 0.601 12.192 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.131 -0.812 13.249 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.588 -2.860 11.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.546 -3.091 12.433 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.120 -3.313 10.798 1.00 0.00 H new ATOM 637 N SER A 43 -4.656 -1.295 11.006 1.00 0.00 N ATOM 638 CA SER A 43 -5.988 -1.360 11.679 1.00 0.00 C ATOM 639 C SER A 43 -7.067 -1.764 10.675 1.00 0.00 C ATOM 640 O SER A 43 -7.000 -1.437 9.506 1.00 0.00 O ATOM 641 CB SER A 43 -6.327 0.013 12.260 1.00 0.00 C ATOM 642 OG SER A 43 -7.404 -0.117 13.178 1.00 0.00 O ATOM 0 H SER A 43 -4.659 -0.901 10.065 1.00 0.00 H new ATOM 0 HA SER A 43 -5.948 -2.102 12.476 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.455 0.433 12.762 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.597 0.702 11.460 1.00 0.00 H new ATOM 0 HG SER A 43 -7.622 0.762 13.553 1.00 0.00 H new ATOM 648 N GLY A 44 -8.072 -2.466 11.128 1.00 0.00 N ATOM 649 CA GLY A 44 -9.166 -2.885 10.208 1.00 0.00 C ATOM 650 C GLY A 44 -9.902 -1.641 9.717 1.00 0.00 C ATOM 651 O GLY A 44 -10.575 -1.662 8.706 1.00 0.00 O ATOM 0 H GLY A 44 -8.181 -2.767 12.096 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.757 -3.439 9.363 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.856 -3.553 10.723 1.00 0.00 H new ATOM 655 N ALA A 45 -9.772 -0.553 10.426 1.00 0.00 N ATOM 656 CA ALA A 45 -10.453 0.702 10.004 1.00 0.00 C ATOM 657 C ALA A 45 -9.571 1.434 8.995 1.00 0.00 C ATOM 658 O ALA A 45 -10.055 2.087 8.090 1.00 0.00 O ATOM 659 CB ALA A 45 -10.677 1.595 11.225 1.00 0.00 C ATOM 0 H ALA A 45 -9.222 -0.480 11.282 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.414 0.464 9.548 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.176 2.514 10.917 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.299 1.070 11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.716 1.838 11.679 1.00 0.00 H new ATOM 665 N GLU A 46 -8.279 1.331 9.141 1.00 0.00 N ATOM 666 CA GLU A 46 -7.364 2.018 8.190 1.00 0.00 C ATOM 667 C GLU A 46 -7.432 1.319 6.831 1.00 0.00 C ATOM 668 O GLU A 46 -7.445 1.952 5.796 1.00 0.00 O ATOM 669 CB GLU A 46 -5.932 1.958 8.723 1.00 0.00 C ATOM 670 CG GLU A 46 -5.056 2.944 7.947 1.00 0.00 C ATOM 671 CD GLU A 46 -3.647 2.954 8.544 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.364 2.093 9.360 1.00 0.00 O ATOM 673 OE2 GLU A 46 -2.875 3.823 8.175 1.00 0.00 O ATOM 0 H GLU A 46 -7.818 0.800 9.879 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.665 3.060 8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.918 2.201 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.537 0.947 8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.015 2.661 6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.488 3.944 7.991 1.00 0.00 H new ATOM 680 N GLY A 47 -7.478 0.015 6.827 1.00 0.00 N ATOM 681 CA GLY A 47 -7.550 -0.719 5.532 1.00 0.00 C ATOM 682 C GLY A 47 -8.826 -0.319 4.795 1.00 0.00 C ATOM 683 O GLY A 47 -8.855 -0.223 3.584 1.00 0.00 O ATOM 0 H GLY A 47 -7.469 -0.572 7.661 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.677 -0.489 4.922 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.541 -1.794 5.709 1.00 0.00 H new ATOM 687 N SER A 48 -9.883 -0.073 5.520 1.00 0.00 N ATOM 688 CA SER A 48 -11.158 0.331 4.866 1.00 0.00 C ATOM 689 C SER A 48 -11.107 1.827 4.559 1.00 0.00 C ATOM 690 O SER A 48 -11.686 2.296 3.598 1.00 0.00 O ATOM 691 CB SER A 48 -12.329 0.041 5.805 1.00 0.00 C ATOM 692 OG SER A 48 -13.472 0.766 5.370 1.00 0.00 O ATOM 0 H SER A 48 -9.918 -0.135 6.538 1.00 0.00 H new ATOM 0 HA SER A 48 -11.292 -0.231 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.545 -1.027 5.816 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.071 0.325 6.825 1.00 0.00 H new ATOM 0 HG SER A 48 -14.225 0.581 5.970 1.00 0.00 H new ATOM 698 N PHE A 49 -10.414 2.583 5.368 1.00 0.00 N ATOM 699 CA PHE A 49 -10.321 4.049 5.123 1.00 0.00 C ATOM 700 C PHE A 49 -9.463 4.304 3.882 1.00 0.00 C ATOM 701 O PHE A 49 -9.855 5.023 2.985 1.00 0.00 O ATOM 702 CB PHE A 49 -9.684 4.732 6.337 1.00 0.00 C ATOM 703 CG PHE A 49 -9.945 6.216 6.272 1.00 0.00 C ATOM 704 CD1 PHE A 49 -9.158 7.031 5.450 1.00 0.00 C ATOM 705 CD2 PHE A 49 -10.979 6.780 7.031 1.00 0.00 C ATOM 706 CE1 PHE A 49 -9.402 8.408 5.388 1.00 0.00 C ATOM 707 CE2 PHE A 49 -11.223 8.158 6.970 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.435 8.971 6.148 1.00 0.00 C ATOM 0 H PHE A 49 -9.909 2.247 6.188 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.320 4.455 4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.096 4.319 7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.611 4.541 6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -8.362 6.597 4.863 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -11.588 6.152 7.664 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.794 9.036 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -12.019 8.593 7.557 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.623 10.033 6.100 1.00 0.00 H new ATOM 718 N VAL A 50 -8.298 3.713 3.815 1.00 0.00 N ATOM 719 CA VAL A 50 -7.433 3.923 2.621 1.00 0.00 C ATOM 720 C VAL A 50 -8.193 3.453 1.384 1.00 0.00 C ATOM 721 O VAL A 50 -8.080 4.023 0.316 1.00 0.00 O ATOM 722 CB VAL A 50 -6.137 3.120 2.764 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.229 3.394 1.563 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.417 3.540 4.049 1.00 0.00 C ATOM 0 H VAL A 50 -7.912 3.098 4.532 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.181 4.979 2.529 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.373 2.057 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.307 2.822 1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.739 3.098 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.993 4.457 1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.494 2.969 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.183 4.604 4.004 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.061 3.347 4.907 1.00 0.00 H new ATOM 734 N SER A 51 -8.974 2.418 1.525 1.00 0.00 N ATOM 735 CA SER A 51 -9.755 1.905 0.369 1.00 0.00 C ATOM 736 C SER A 51 -10.640 3.027 -0.180 1.00 0.00 C ATOM 737 O SER A 51 -10.647 3.307 -1.363 1.00 0.00 O ATOM 738 CB SER A 51 -10.631 0.738 0.835 1.00 0.00 C ATOM 739 OG SER A 51 -11.934 0.869 0.280 1.00 0.00 O ATOM 0 H SER A 51 -9.104 1.904 2.396 1.00 0.00 H new ATOM 0 HA SER A 51 -9.079 1.563 -0.414 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.187 -0.209 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.688 0.725 1.923 1.00 0.00 H new ATOM 0 HG SER A 51 -11.876 0.854 -0.698 1.00 0.00 H new ATOM 745 N SER A 52 -11.389 3.669 0.673 1.00 0.00 N ATOM 746 CA SER A 52 -12.279 4.772 0.208 1.00 0.00 C ATOM 747 C SER A 52 -11.436 5.913 -0.366 1.00 0.00 C ATOM 748 O SER A 52 -11.905 6.707 -1.157 1.00 0.00 O ATOM 749 CB SER A 52 -13.101 5.292 1.387 1.00 0.00 C ATOM 750 OG SER A 52 -13.964 4.262 1.849 1.00 0.00 O ATOM 0 H SER A 52 -11.424 3.478 1.674 1.00 0.00 H new ATOM 0 HA SER A 52 -12.946 4.393 -0.566 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.440 5.616 2.191 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.684 6.162 1.083 1.00 0.00 H new ATOM 0 HG SER A 52 -14.491 4.592 2.606 1.00 0.00 H new ATOM 756 N LEU A 53 -10.198 6.006 0.031 1.00 0.00 N ATOM 757 CA LEU A 53 -9.326 7.097 -0.483 1.00 0.00 C ATOM 758 C LEU A 53 -8.821 6.733 -1.881 1.00 0.00 C ATOM 759 O LEU A 53 -8.417 7.586 -2.644 1.00 0.00 O ATOM 760 CB LEU A 53 -8.140 7.269 0.483 1.00 0.00 C ATOM 761 CG LEU A 53 -6.978 7.998 -0.201 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.395 9.432 -0.539 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.780 8.040 0.751 1.00 0.00 C ATOM 0 H LEU A 53 -9.751 5.371 0.692 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.885 8.030 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.460 7.830 1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.806 6.292 0.833 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.710 7.470 -1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.566 9.947 -1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.254 9.413 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.662 9.959 0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.950 8.558 0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.058 8.569 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.477 7.023 1.000 1.00 0.00 H new ATOM 775 N VAL A 54 -8.811 5.469 -2.214 1.00 0.00 N ATOM 776 CA VAL A 54 -8.298 5.052 -3.552 1.00 0.00 C ATOM 777 C VAL A 54 -9.379 4.320 -4.355 1.00 0.00 C ATOM 778 O VAL A 54 -9.084 3.643 -5.319 1.00 0.00 O ATOM 779 CB VAL A 54 -7.087 4.141 -3.345 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.026 4.901 -2.546 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.501 2.892 -2.563 1.00 0.00 C ATOM 0 H VAL A 54 -9.136 4.708 -1.618 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.011 5.938 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.689 3.843 -4.315 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.158 4.260 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.726 5.793 -3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.437 5.192 -1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.633 2.248 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.899 3.186 -1.592 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.266 2.351 -3.120 1.00 0.00 H new ATOM 791 N LYS A 55 -10.627 4.448 -3.979 1.00 0.00 N ATOM 792 CA LYS A 55 -11.707 3.753 -4.747 1.00 0.00 C ATOM 793 C LYS A 55 -12.357 4.735 -5.729 1.00 0.00 C ATOM 794 O LYS A 55 -12.870 4.346 -6.760 1.00 0.00 O ATOM 795 CB LYS A 55 -12.769 3.203 -3.782 1.00 0.00 C ATOM 796 CG LYS A 55 -13.701 4.326 -3.304 1.00 0.00 C ATOM 797 CD LYS A 55 -14.799 3.731 -2.417 1.00 0.00 C ATOM 798 CE LYS A 55 -15.539 4.854 -1.687 1.00 0.00 C ATOM 799 NZ LYS A 55 -16.413 5.582 -2.650 1.00 0.00 N ATOM 0 H LYS A 55 -10.944 4.998 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.270 2.923 -5.303 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -13.351 2.427 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -12.283 2.738 -2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.134 5.073 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -14.145 4.835 -4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.499 3.156 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -14.362 3.041 -1.695 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.139 4.441 -0.876 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.824 5.542 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.916 6.345 -2.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.830 5.988 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.104 4.921 -3.060 1.00 0.00 H new ATOM 896 N SER A 62 -6.558 -0.357 -11.579 1.00 0.00 N ATOM 897 CA SER A 62 -6.879 -1.788 -11.319 1.00 0.00 C ATOM 898 C SER A 62 -6.214 -2.207 -10.012 1.00 0.00 C ATOM 899 O SER A 62 -6.719 -3.031 -9.283 1.00 0.00 O ATOM 900 CB SER A 62 -6.345 -2.649 -12.463 1.00 0.00 C ATOM 901 OG SER A 62 -6.838 -2.145 -13.699 1.00 0.00 O ATOM 0 HA SER A 62 -7.959 -1.920 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.255 -2.640 -12.462 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.656 -3.685 -12.330 1.00 0.00 H new ATOM 0 HG SER A 62 -6.942 -1.172 -13.638 1.00 0.00 H new ATOM 907 N TYR A 63 -5.079 -1.637 -9.711 1.00 0.00 N ATOM 908 CA TYR A 63 -4.373 -1.991 -8.446 1.00 0.00 C ATOM 909 C TYR A 63 -3.736 -0.725 -7.861 1.00 0.00 C ATOM 910 O TYR A 63 -3.654 0.297 -8.513 1.00 0.00 O ATOM 911 CB TYR A 63 -3.277 -3.022 -8.731 1.00 0.00 C ATOM 912 CG TYR A 63 -3.850 -4.421 -8.735 1.00 0.00 C ATOM 913 CD1 TYR A 63 -4.664 -4.846 -9.792 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.560 -5.297 -7.682 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.187 -6.143 -9.793 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.083 -6.593 -7.686 1.00 0.00 C ATOM 917 CZ TYR A 63 -4.897 -7.018 -8.742 1.00 0.00 C ATOM 918 OH TYR A 63 -5.413 -8.297 -8.745 1.00 0.00 O ATOM 0 H TYR A 63 -4.609 -0.940 -10.288 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.086 -2.414 -7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.813 -2.811 -9.694 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.494 -2.946 -7.977 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -4.888 -4.173 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.932 -4.971 -6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.816 -6.469 -10.608 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.859 -7.268 -6.873 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.132 -8.361 -8.082 1.00 0.00 H new ATOM 928 N VAL A 64 -3.287 -0.784 -6.635 1.00 0.00 N ATOM 929 CA VAL A 64 -2.655 0.416 -6.003 1.00 0.00 C ATOM 930 C VAL A 64 -1.433 -0.028 -5.195 1.00 0.00 C ATOM 931 O VAL A 64 -1.430 -1.078 -4.591 1.00 0.00 O ATOM 932 CB VAL A 64 -3.678 1.084 -5.078 1.00 0.00 C ATOM 933 CG1 VAL A 64 -3.114 2.387 -4.518 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.956 1.380 -5.864 1.00 0.00 C ATOM 0 H VAL A 64 -3.330 -1.612 -6.041 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.340 1.125 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.900 0.410 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.851 2.851 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.206 2.177 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.881 3.065 -5.339 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.685 1.855 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.726 2.047 -6.694 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.369 0.449 -6.251 1.00 0.00 H new ATOM 944 N TRP A 65 -0.390 0.758 -5.181 1.00 0.00 N ATOM 945 CA TRP A 65 0.827 0.361 -4.413 1.00 0.00 C ATOM 946 C TRP A 65 0.693 0.831 -2.961 1.00 0.00 C ATOM 947 O TRP A 65 0.187 1.903 -2.695 1.00 0.00 O ATOM 948 CB TRP A 65 2.071 1.033 -5.020 1.00 0.00 C ATOM 949 CG TRP A 65 2.855 0.100 -5.897 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.462 0.484 -7.042 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.152 -1.325 -5.738 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.110 -0.600 -7.596 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.943 -1.738 -6.839 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.821 -2.294 -4.771 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.383 -3.052 -6.976 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.264 -3.619 -4.908 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.042 -3.997 -6.009 1.00 0.00 C ATOM 0 H TRP A 65 -0.327 1.654 -5.665 1.00 0.00 H new ATOM 0 HA TRP A 65 0.928 -0.723 -4.455 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.764 1.902 -5.602 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.712 1.397 -4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.443 1.481 -7.457 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.648 -0.563 -8.462 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.221 -2.015 -3.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.985 -3.338 -7.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 3.003 -4.352 -4.159 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.377 -5.019 -6.109 1.00 0.00 H new ATOM 968 N ILE A 66 1.175 0.056 -2.023 1.00 0.00 N ATOM 969 CA ILE A 66 1.110 0.484 -0.596 1.00 0.00 C ATOM 970 C ILE A 66 2.458 0.173 0.059 1.00 0.00 C ATOM 971 O ILE A 66 3.312 -0.456 -0.534 1.00 0.00 O ATOM 972 CB ILE A 66 -0.010 -0.259 0.137 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.145 -1.768 -0.060 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.363 0.183 -0.420 1.00 0.00 C ATOM 975 CD1 ILE A 66 -1.050 -2.486 0.574 1.00 0.00 C ATOM 0 H ILE A 66 1.610 -0.853 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 66 0.899 1.552 -0.541 1.00 0.00 H new ATOM 0 HB ILE A 66 0.047 -0.027 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.204 -2.004 -1.123 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.074 -2.112 0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.161 -0.345 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.483 1.257 -0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.411 -0.046 -1.485 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.943 -3.562 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.087 -2.259 1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.971 -2.149 0.099 1.00 0.00 H new ATOM 987 N GLY A 67 2.672 0.627 1.261 1.00 0.00 N ATOM 988 CA GLY A 67 3.972 0.378 1.932 1.00 0.00 C ATOM 989 C GLY A 67 4.003 -1.016 2.538 1.00 0.00 C ATOM 990 O GLY A 67 4.235 -1.181 3.712 1.00 0.00 O ATOM 0 H GLY A 67 1.998 1.162 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.785 0.486 1.214 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.134 1.123 2.711 1.00 0.00 H new ATOM 994 N LEU A 68 3.793 -2.024 1.742 1.00 0.00 N ATOM 995 CA LEU A 68 3.849 -3.417 2.274 1.00 0.00 C ATOM 996 C LEU A 68 4.837 -4.218 1.427 1.00 0.00 C ATOM 997 O LEU A 68 4.741 -4.255 0.217 1.00 0.00 O ATOM 998 CB LEU A 68 2.466 -4.072 2.204 1.00 0.00 C ATOM 999 CG LEU A 68 2.333 -5.196 3.260 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.661 -5.935 3.468 1.00 0.00 C ATOM 1001 CD2 LEU A 68 1.896 -4.595 4.592 1.00 0.00 C ATOM 0 H LEU A 68 3.585 -1.947 0.746 1.00 0.00 H new ATOM 0 HA LEU A 68 4.169 -3.397 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.694 -3.320 2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.304 -4.483 1.207 1.00 0.00 H new ATOM 0 HG LEU A 68 1.592 -5.907 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.529 -6.717 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.979 -6.383 2.527 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.420 -5.231 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.802 -5.387 5.335 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.639 -3.870 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.934 -4.098 4.469 1.00 0.00 H new ATOM 1013 N HIS A 69 5.786 -4.858 2.050 1.00 0.00 N ATOM 1014 CA HIS A 69 6.779 -5.653 1.277 1.00 0.00 C ATOM 1015 C HIS A 69 7.111 -6.936 2.025 1.00 0.00 C ATOM 1016 O HIS A 69 6.594 -7.213 3.088 1.00 0.00 O ATOM 1017 CB HIS A 69 8.059 -4.841 1.098 1.00 0.00 C ATOM 1018 CG HIS A 69 8.690 -4.649 2.446 1.00 0.00 C ATOM 1019 ND1 HIS A 69 8.288 -3.932 3.533 1.00 0.00 N flip ATOM 1020 CD2 HIS A 69 9.871 -5.273 2.813 1.00 0.00 C flip ATOM 1021 CE1 HIS A 69 9.197 -4.101 4.574 1.00 0.00 C flip ATOM 1022 NE2 HIS A 69 10.131 -4.921 4.086 1.00 0.00 N flip ATOM 0 H HIS A 69 5.917 -4.865 3.062 1.00 0.00 H new ATOM 0 HA HIS A 69 6.354 -5.896 0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.746 -5.358 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.836 -3.876 0.643 1.00 0.00 H new ATOM 0 HD1 HIS A 69 7.447 -3.357 3.577 1.00 0.00 H new ATOM 0 HD2 HIS A 69 10.472 -5.922 2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.156 -3.664 5.561 1.00 0.00 H new ATOM 1180 N TRP A 82 5.828 -10.430 5.535 1.00 0.00 N ATOM 1181 CA TRP A 82 4.998 -9.220 5.264 1.00 0.00 C ATOM 1182 C TRP A 82 5.230 -8.154 6.346 1.00 0.00 C ATOM 1183 O TRP A 82 4.790 -8.294 7.470 1.00 0.00 O ATOM 1184 CB TRP A 82 3.509 -9.605 5.241 1.00 0.00 C ATOM 1185 CG TRP A 82 3.342 -11.054 4.893 1.00 0.00 C ATOM 1186 CD1 TRP A 82 4.145 -11.765 4.065 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.308 -11.976 5.347 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.671 -13.062 3.986 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.541 -13.242 4.760 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.203 -11.838 6.205 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.706 -14.330 5.014 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 0.361 -12.930 6.464 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.611 -14.175 5.869 1.00 0.00 C ATOM 0 HA TRP A 82 5.288 -8.812 4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.062 -9.406 6.215 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.980 -8.988 4.515 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.014 -11.381 3.551 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.103 -13.796 3.425 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.001 -10.884 6.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.904 -15.286 4.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.484 -12.811 7.125 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.041 -15.012 6.071 1.00 0.00 H new ATOM 1204 N GLU A 83 5.894 -7.078 6.006 1.00 0.00 N ATOM 1205 CA GLU A 83 6.130 -5.987 6.999 1.00 0.00 C ATOM 1206 C GLU A 83 5.834 -4.648 6.320 1.00 0.00 C ATOM 1207 O GLU A 83 6.123 -4.458 5.156 1.00 0.00 O ATOM 1208 CB GLU A 83 7.590 -6.020 7.472 1.00 0.00 C ATOM 1209 CG GLU A 83 7.989 -4.650 8.030 1.00 0.00 C ATOM 1210 CD GLU A 83 9.249 -4.792 8.888 1.00 0.00 C ATOM 1211 OE1 GLU A 83 9.893 -5.823 8.792 1.00 0.00 O ATOM 1212 OE2 GLU A 83 9.546 -3.867 9.628 1.00 0.00 O ATOM 0 H GLU A 83 6.284 -6.908 5.079 1.00 0.00 H new ATOM 0 HA GLU A 83 5.481 -6.120 7.865 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.716 -6.785 8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.244 -6.289 6.643 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.170 -3.952 7.213 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.175 -4.238 8.627 1.00 0.00 H new ATOM 1219 N TRP A 84 5.256 -3.719 7.030 1.00 0.00 N ATOM 1220 CA TRP A 84 4.941 -2.408 6.412 1.00 0.00 C ATOM 1221 C TRP A 84 6.203 -1.558 6.367 1.00 0.00 C ATOM 1222 O TRP A 84 6.978 -1.527 7.301 1.00 0.00 O ATOM 1223 CB TRP A 84 3.878 -1.698 7.251 1.00 0.00 C ATOM 1224 CG TRP A 84 3.076 -2.713 7.997 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.481 -3.341 9.122 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.752 -3.232 7.691 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.492 -4.217 9.525 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.404 -4.186 8.674 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.828 -2.971 6.665 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.183 -4.860 8.642 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.403 -3.647 6.629 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.724 -4.590 7.615 1.00 0.00 C ATOM 0 H TRP A 84 4.990 -3.814 8.010 1.00 0.00 H new ATOM 0 HA TRP A 84 4.566 -2.558 5.399 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.351 -1.008 7.949 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.227 -1.105 6.608 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.424 -3.184 9.624 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.557 -4.814 10.350 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.065 -2.247 5.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -0.059 -5.585 9.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.107 -3.439 5.836 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.672 -5.107 7.581 1.00 0.00 H new ATOM 1243 N SER A 85 6.419 -0.865 5.289 1.00 0.00 N ATOM 1244 CA SER A 85 7.632 -0.018 5.195 1.00 0.00 C ATOM 1245 C SER A 85 7.356 1.338 5.834 1.00 0.00 C ATOM 1246 O SER A 85 8.207 2.204 5.865 1.00 0.00 O ATOM 1247 CB SER A 85 8.025 0.169 3.730 1.00 0.00 C ATOM 1248 OG SER A 85 6.924 0.714 3.014 1.00 0.00 O ATOM 0 H SER A 85 5.809 -0.849 4.471 1.00 0.00 H new ATOM 0 HA SER A 85 8.453 -0.505 5.721 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.887 0.832 3.655 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.319 -0.786 3.296 1.00 0.00 H new ATOM 0 HG SER A 85 7.173 0.837 2.074 1.00 0.00 H new ATOM 1288 N VAL A 89 5.313 -3.512 12.321 1.00 0.00 N ATOM 1289 CA VAL A 89 5.292 -4.992 12.137 1.00 0.00 C ATOM 1290 C VAL A 89 3.892 -5.428 11.708 1.00 0.00 C ATOM 1291 O VAL A 89 2.933 -4.696 11.842 1.00 0.00 O ATOM 1292 CB VAL A 89 5.654 -5.673 13.458 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.637 -5.281 14.532 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.639 -7.192 13.271 1.00 0.00 C ATOM 0 HA VAL A 89 6.014 -5.276 11.371 1.00 0.00 H new ATOM 0 HB VAL A 89 6.649 -5.355 13.768 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.896 -5.767 15.473 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.649 -4.199 14.667 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.641 -5.597 14.222 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.897 -7.677 14.212 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.644 -7.510 12.959 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.365 -7.472 12.508 1.00 0.00 H new ATOM 1304 N MET A 90 3.768 -6.618 11.192 1.00 0.00 N ATOM 1305 CA MET A 90 2.435 -7.107 10.746 1.00 0.00 C ATOM 1306 C MET A 90 1.482 -7.198 11.942 1.00 0.00 C ATOM 1307 O MET A 90 1.335 -8.242 12.546 1.00 0.00 O ATOM 1308 CB MET A 90 2.593 -8.494 10.114 1.00 0.00 C ATOM 1309 CG MET A 90 1.394 -8.792 9.205 1.00 0.00 C ATOM 1310 SD MET A 90 0.976 -10.551 9.313 1.00 0.00 S ATOM 1311 CE MET A 90 -0.269 -10.412 10.620 1.00 0.00 C ATOM 0 H MET A 90 4.536 -7.276 11.059 1.00 0.00 H new ATOM 0 HA MET A 90 2.023 -6.411 10.015 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.517 -8.538 9.538 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.667 -9.252 10.893 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.539 -8.185 9.503 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.630 -8.526 8.175 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.898 -11.302 10.620 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.227 -10.318 11.586 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.887 -9.532 10.442 1.00 0.00 H new ATOM 1321 N ASN A 91 0.814 -6.122 12.281 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.144 -6.176 13.423 1.00 0.00 C ATOM 1323 C ASN A 91 -1.555 -6.311 12.853 1.00 0.00 C ATOM 1324 O ASN A 91 -2.505 -6.562 13.566 1.00 0.00 O ATOM 1325 CB ASN A 91 -0.037 -4.894 14.264 1.00 0.00 C ATOM 1326 CG ASN A 91 -0.227 -5.232 15.746 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -1.033 -4.621 16.420 1.00 0.00 O ATOM 1328 ND2 ASN A 91 0.485 -6.185 16.283 1.00 0.00 N ATOM 0 H ASN A 91 0.891 -5.216 11.819 1.00 0.00 H new ATOM 0 HA ASN A 91 0.086 -7.026 14.066 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.935 -4.426 14.109 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.791 -4.174 13.945 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.365 -6.417 17.269 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.161 -6.697 15.717 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.687 -6.152 11.560 1.00 0.00 N ATOM 1336 CA TYR A 92 -3.025 -6.279 10.916 1.00 0.00 C ATOM 1337 C TYR A 92 -2.928 -7.281 9.762 1.00 0.00 C ATOM 1338 O TYR A 92 -1.862 -7.522 9.232 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.473 -4.917 10.381 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.812 -5.051 9.689 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.908 -5.595 10.373 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.958 -4.632 8.360 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.145 -5.721 9.729 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.196 -4.759 7.718 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.287 -5.302 8.401 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.507 -5.427 7.766 1.00 0.00 O ATOM 0 H TYR A 92 -0.920 -5.939 10.922 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.754 -6.629 11.647 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.547 -4.201 11.200 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.731 -4.528 9.684 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.798 -5.917 11.398 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.116 -4.211 7.831 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.989 -6.141 10.256 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.308 -4.437 6.693 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.435 -5.089 6.849 1.00 0.00 H new ATOM 1356 N PHE A 93 -4.026 -7.877 9.373 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.983 -8.871 8.257 1.00 0.00 C ATOM 1358 C PHE A 93 -5.137 -8.617 7.282 1.00 0.00 C ATOM 1359 O PHE A 93 -6.226 -8.247 7.674 1.00 0.00 O ATOM 1360 CB PHE A 93 -4.110 -10.282 8.834 1.00 0.00 C ATOM 1361 CG PHE A 93 -5.324 -10.356 9.728 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -6.584 -10.620 9.179 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -5.189 -10.161 11.109 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -7.709 -10.689 10.009 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -6.313 -10.229 11.939 1.00 0.00 C ATOM 1366 CZ PHE A 93 -7.575 -10.493 11.389 1.00 0.00 C ATOM 0 H PHE A 93 -4.949 -7.719 9.778 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.037 -8.771 7.724 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.195 -11.010 8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -3.214 -10.537 9.399 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.688 -10.771 8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.217 -9.958 11.533 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -8.681 -10.894 9.585 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -6.208 -10.078 13.003 1.00 0.00 H new ATOM 0 HZ PHE A 93 -8.443 -10.545 12.029 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.903 -8.820 6.011 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.983 -8.601 5.005 1.00 0.00 C ATOM 1378 C ALA A 94 -5.485 -9.031 3.618 1.00 0.00 C ATOM 1379 O ALA A 94 -5.943 -8.541 2.604 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.369 -7.114 4.979 1.00 0.00 C ATOM 0 H ALA A 94 -4.010 -9.128 5.627 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.857 -9.194 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.158 -6.956 4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.726 -6.813 5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.498 -6.517 4.711 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.550 -9.941 3.568 1.00 0.00 N ATOM 1387 CA TRP A 95 -4.023 -10.403 2.251 1.00 0.00 C ATOM 1388 C TRP A 95 -5.031 -11.356 1.602 1.00 0.00 C ATOM 1389 O TRP A 95 -5.833 -11.975 2.272 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.693 -11.131 2.465 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.765 -11.934 3.724 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -2.244 -11.560 4.914 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -3.387 -13.235 3.939 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -2.504 -12.549 5.847 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -3.207 -13.602 5.294 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -4.081 -14.123 3.098 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.699 -14.807 5.797 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -4.578 -15.336 3.601 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -4.386 -15.677 4.948 1.00 0.00 C ATOM 0 H TRP A 95 -4.128 -10.385 4.383 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.867 -9.544 1.598 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.481 -11.782 1.617 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.877 -10.411 2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.712 -10.640 5.106 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.212 -12.506 6.823 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.233 -13.870 2.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.550 -15.065 6.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -5.111 -16.010 2.947 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.769 -16.612 5.328 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.994 -11.478 0.302 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.949 -12.390 -0.390 1.00 0.00 C ATOM 1412 C GLU A 96 -5.365 -13.805 -0.440 1.00 0.00 C ATOM 1413 O GLU A 96 -6.038 -14.774 -0.149 1.00 0.00 O ATOM 1414 CB GLU A 96 -6.190 -11.893 -1.817 1.00 0.00 C ATOM 1415 CG GLU A 96 -7.381 -12.634 -2.423 1.00 0.00 C ATOM 1416 CD GLU A 96 -7.474 -12.317 -3.917 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -6.551 -11.707 -4.431 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -8.467 -12.688 -4.521 1.00 0.00 O ATOM 0 H GLU A 96 -4.344 -10.985 -0.310 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.892 -12.404 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.381 -10.820 -1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.300 -12.056 -2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.268 -13.708 -2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.301 -12.338 -1.920 1.00 0.00 H new ATOM 1564 N HIS A 107 7.847 -9.094 -3.908 1.00 0.00 N ATOM 1565 CA HIS A 107 8.241 -8.622 -2.548 1.00 0.00 C ATOM 1566 C HIS A 107 7.503 -7.321 -2.223 1.00 0.00 C ATOM 1567 O HIS A 107 7.971 -6.506 -1.455 1.00 0.00 O ATOM 1568 CB HIS A 107 9.753 -8.380 -2.500 1.00 0.00 C ATOM 1569 CG HIS A 107 10.474 -9.611 -2.979 1.00 0.00 C ATOM 1570 ND1 HIS A 107 10.027 -10.858 -3.334 1.00 0.00 N flip ATOM 1571 CD2 HIS A 107 11.848 -9.648 -3.136 1.00 0.00 C flip ATOM 1572 CE1 HIS A 107 11.099 -11.655 -3.706 1.00 0.00 C flip ATOM 1573 NE2 HIS A 107 12.170 -10.880 -3.566 1.00 0.00 N flip ATOM 0 HA HIS A 107 7.976 -9.383 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.015 -7.526 -3.124 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.061 -8.138 -1.483 1.00 0.00 H new ATOM 0 HD1 HIS A 107 9.051 -11.155 -3.326 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.535 -8.836 -2.948 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.070 -12.682 -4.038 1.00 0.00 H new ATOM 1581 N CYS A 108 6.347 -7.124 -2.799 1.00 0.00 N ATOM 1582 CA CYS A 108 5.574 -5.880 -2.519 1.00 0.00 C ATOM 1583 C CYS A 108 4.080 -6.172 -2.668 1.00 0.00 C ATOM 1584 O CYS A 108 3.679 -6.980 -3.480 1.00 0.00 O ATOM 1585 CB CYS A 108 5.990 -4.786 -3.500 1.00 0.00 C ATOM 1586 SG CYS A 108 7.676 -4.258 -3.124 1.00 0.00 S ATOM 0 H CYS A 108 5.905 -7.771 -3.452 1.00 0.00 H new ATOM 0 HA CYS A 108 5.778 -5.542 -1.503 1.00 0.00 H new ATOM 0 HB2 CYS A 108 5.933 -5.158 -4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.307 -3.939 -3.430 1.00 0.00 H new ATOM 1591 N ALA A 109 3.254 -5.527 -1.881 1.00 0.00 N ATOM 1592 CA ALA A 109 1.783 -5.781 -1.973 1.00 0.00 C ATOM 1593 C ALA A 109 1.056 -4.535 -2.495 1.00 0.00 C ATOM 1594 O ALA A 109 1.502 -3.414 -2.329 1.00 0.00 O ATOM 1595 CB ALA A 109 1.241 -6.153 -0.586 1.00 0.00 C ATOM 0 H ALA A 109 3.533 -4.839 -1.182 1.00 0.00 H new ATOM 0 HA ALA A 109 1.609 -6.603 -2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.169 -6.338 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.743 -7.052 -0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.425 -5.333 0.109 1.00 0.00 H new ATOM 1601 N SER A 110 -0.068 -4.742 -3.126 1.00 0.00 N ATOM 1602 CA SER A 110 -0.863 -3.609 -3.679 1.00 0.00 C ATOM 1603 C SER A 110 -2.351 -3.917 -3.474 1.00 0.00 C ATOM 1604 O SER A 110 -2.723 -5.042 -3.210 1.00 0.00 O ATOM 1605 CB SER A 110 -0.568 -3.466 -5.178 1.00 0.00 C ATOM 1606 OG SER A 110 -0.169 -4.727 -5.698 1.00 0.00 O ATOM 0 H SER A 110 -0.475 -5.664 -3.284 1.00 0.00 H new ATOM 0 HA SER A 110 -0.601 -2.680 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.453 -3.107 -5.702 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.218 -2.728 -5.337 1.00 0.00 H new ATOM 0 HG SER A 110 0.019 -4.641 -6.656 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.207 -2.939 -3.599 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.662 -3.209 -3.414 1.00 0.00 C ATOM 1614 C LEU A 111 -5.245 -3.669 -4.749 1.00 0.00 C ATOM 1615 O LEU A 111 -4.985 -3.087 -5.778 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.385 -1.931 -2.962 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.882 -1.492 -1.570 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.585 0.011 -1.566 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.961 -1.779 -0.523 1.00 0.00 C ATOM 0 H LEU A 111 -2.965 -1.973 -3.819 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.795 -3.978 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.214 -1.134 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.460 -2.106 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.972 -2.045 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -4.231 0.309 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.819 0.232 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.494 0.562 -1.807 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.606 -1.469 0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.866 -1.226 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.180 -2.847 -0.510 1.00 0.00 H new ATOM 1631 N SER A 112 -6.020 -4.716 -4.742 1.00 0.00 N ATOM 1632 CA SER A 112 -6.612 -5.228 -6.015 1.00 0.00 C ATOM 1633 C SER A 112 -8.033 -4.689 -6.178 1.00 0.00 C ATOM 1634 O SER A 112 -8.893 -4.917 -5.350 1.00 0.00 O ATOM 1635 CB SER A 112 -6.663 -6.755 -5.965 1.00 0.00 C ATOM 1636 OG SER A 112 -6.985 -7.258 -7.253 1.00 0.00 O ATOM 0 H SER A 112 -6.272 -5.244 -3.907 1.00 0.00 H new ATOM 0 HA SER A 112 -6.000 -4.900 -6.855 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.702 -7.152 -5.637 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.407 -7.082 -5.238 1.00 0.00 H new ATOM 0 HG SER A 112 -6.304 -6.970 -7.896 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.292 -3.980 -7.244 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.663 -3.436 -7.459 1.00 0.00 C ATOM 1644 C ARG A 113 -10.651 -4.593 -7.622 1.00 0.00 C ATOM 1645 O ARG A 113 -11.771 -4.536 -7.154 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.674 -2.567 -8.722 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.069 -1.946 -8.920 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.838 -2.722 -9.994 1.00 0.00 C ATOM 1649 NE ARG A 113 -13.166 -2.078 -10.215 1.00 0.00 N ATOM 1650 CZ ARG A 113 -14.263 -2.774 -10.082 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -14.503 -3.775 -10.884 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -15.119 -2.467 -9.146 1.00 0.00 N ATOM 0 H ARG A 113 -7.615 -3.755 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.954 -2.831 -6.601 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.925 -1.780 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.408 -3.169 -9.591 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.621 -1.964 -7.980 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -10.973 -0.901 -9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.270 -2.738 -10.924 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.971 -3.759 -9.684 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.217 -1.092 -10.471 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.834 -4.014 -11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.360 -4.318 -10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -14.931 -1.684 -8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.976 -3.010 -9.041 1.00 0.00 H new ATOM 1666 N SER A 114 -10.248 -5.646 -8.279 1.00 0.00 N ATOM 1667 CA SER A 114 -11.168 -6.805 -8.465 1.00 0.00 C ATOM 1668 C SER A 114 -11.595 -7.332 -7.093 1.00 0.00 C ATOM 1669 O SER A 114 -12.608 -7.990 -6.957 1.00 0.00 O ATOM 1670 CB SER A 114 -10.447 -7.910 -9.236 1.00 0.00 C ATOM 1671 OG SER A 114 -9.760 -7.340 -10.341 1.00 0.00 O ATOM 0 H SER A 114 -9.323 -5.754 -8.695 1.00 0.00 H new ATOM 0 HA SER A 114 -12.048 -6.490 -9.026 1.00 0.00 H new ATOM 0 HB2 SER A 114 -9.743 -8.426 -8.582 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.164 -8.654 -9.583 1.00 0.00 H new ATOM 0 HG SER A 114 -9.295 -8.046 -10.837 1.00 0.00 H new ATOM 1677 N THR A 115 -10.830 -7.043 -6.076 1.00 0.00 N ATOM 1678 CA THR A 115 -11.179 -7.516 -4.705 1.00 0.00 C ATOM 1679 C THR A 115 -11.776 -6.352 -3.911 1.00 0.00 C ATOM 1680 O THR A 115 -11.649 -6.278 -2.705 1.00 0.00 O ATOM 1681 CB THR A 115 -9.921 -8.022 -3.993 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.085 -6.919 -3.675 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.167 -8.996 -4.901 1.00 0.00 C ATOM 0 H THR A 115 -9.972 -6.495 -6.136 1.00 0.00 H new ATOM 0 HA THR A 115 -11.902 -8.328 -4.775 1.00 0.00 H new ATOM 0 HB THR A 115 -10.207 -8.539 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.172 -6.232 -4.369 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.273 -9.353 -4.389 1.00 0.00 H new ATOM 0 HG22 THR A 115 -9.810 -9.843 -5.140 1.00 0.00 H new ATOM 0 HG23 THR A 115 -8.880 -8.487 -5.821 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.416 -5.437 -4.585 1.00 0.00 N ATOM 1692 CA ALA A 116 -13.014 -4.267 -3.883 1.00 0.00 C ATOM 1693 C ALA A 116 -11.902 -3.429 -3.248 1.00 0.00 C ATOM 1694 O ALA A 116 -12.113 -2.735 -2.273 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.976 -4.757 -2.797 1.00 0.00 C ATOM 0 H ALA A 116 -12.551 -5.449 -5.596 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.562 -3.655 -4.599 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.413 -3.900 -2.284 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.769 -5.349 -3.254 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.432 -5.371 -2.079 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.721 -3.484 -3.807 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.580 -2.688 -3.263 1.00 0.00 C ATOM 1703 C PHE A 117 -9.569 -2.783 -1.739 1.00 0.00 C ATOM 1704 O PHE A 117 -9.357 -1.808 -1.046 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.708 -1.222 -3.701 1.00 0.00 C ATOM 1706 CG PHE A 117 -11.153 -0.787 -3.649 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -12.000 -1.036 -4.737 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -11.647 -0.137 -2.513 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -13.340 -0.634 -4.686 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -12.986 0.266 -2.463 1.00 0.00 C ATOM 1711 CZ PHE A 117 -13.833 0.016 -3.549 1.00 0.00 C ATOM 0 H PHE A 117 -10.496 -4.051 -4.624 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.644 -3.089 -3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.106 -0.587 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.321 -1.102 -4.713 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -11.619 -1.538 -5.614 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -10.994 0.054 -1.674 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.993 -0.826 -5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -13.366 0.770 -1.587 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.867 0.325 -3.509 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.792 -3.957 -1.216 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.794 -4.139 0.261 1.00 0.00 C ATOM 1723 C LEU A 118 -8.853 -5.291 0.615 1.00 0.00 C ATOM 1724 O LEU A 118 -8.667 -5.625 1.769 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.217 -4.467 0.727 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.005 -3.169 0.952 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.504 -3.482 0.972 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.603 -2.533 2.289 1.00 0.00 C ATOM 0 H LEU A 118 -9.974 -4.804 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.458 -3.227 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.720 -5.084 -0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.182 -5.046 1.650 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.782 -2.473 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.066 -2.562 1.132 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.796 -3.925 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.719 -4.183 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.168 -1.613 2.439 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.818 -3.227 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.537 -2.306 2.278 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.256 -5.896 -0.378 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.317 -7.029 -0.124 1.00 0.00 C ATOM 1742 C ARG A 119 -5.941 -6.670 -0.695 1.00 0.00 C ATOM 1743 O ARG A 119 -5.804 -5.738 -1.462 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.852 -8.295 -0.813 1.00 0.00 C ATOM 1745 CG ARG A 119 -8.104 -9.400 0.223 1.00 0.00 C ATOM 1746 CD ARG A 119 -9.353 -9.064 1.043 1.00 0.00 C ATOM 1747 NE ARG A 119 -9.755 -10.253 1.845 1.00 0.00 N ATOM 1748 CZ ARG A 119 -10.961 -10.331 2.337 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -11.744 -9.287 2.315 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -11.383 -11.454 2.854 1.00 0.00 N ATOM 0 H ARG A 119 -8.379 -5.652 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.232 -7.212 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.777 -8.066 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.136 -8.642 -1.558 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.234 -10.359 -0.278 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.241 -9.498 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -9.152 -8.219 1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.166 -8.766 0.381 1.00 0.00 H new ATOM 0 HE ARG A 119 -9.087 -11.006 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.413 -8.410 1.913 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -12.687 -9.348 2.700 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.770 -12.269 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -12.326 -11.516 3.239 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.920 -7.399 -0.325 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.552 -7.098 -0.845 1.00 0.00 C ATOM 1766 C TRP A 120 -3.086 -8.227 -1.767 1.00 0.00 C ATOM 1767 O TRP A 120 -3.407 -9.382 -1.562 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.575 -6.982 0.325 1.00 0.00 C ATOM 1769 CG TRP A 120 -3.160 -6.118 1.393 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.823 -4.958 1.183 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.142 -6.326 2.833 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.213 -4.441 2.406 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.817 -5.248 3.452 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.609 -7.336 3.653 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.958 -5.177 4.838 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.750 -7.267 5.047 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.423 -6.190 5.639 1.00 0.00 C ATOM 0 H TRP A 120 -4.974 -8.191 0.316 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.582 -6.160 -1.400 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.355 -7.972 0.726 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.631 -6.560 -0.019 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -4.016 -4.509 0.220 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.730 -3.569 2.520 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.088 -8.170 3.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.477 -4.345 5.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.337 -8.049 5.668 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.528 -6.143 6.713 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.323 -7.903 -2.776 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.819 -8.952 -3.712 1.00 0.00 C ATOM 1790 C LYS A 121 -0.336 -8.718 -3.978 1.00 0.00 C ATOM 1791 O LYS A 121 0.113 -7.597 -4.110 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.595 -8.888 -5.030 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.523 -10.243 -5.738 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.204 -10.144 -7.103 1.00 0.00 C ATOM 1795 CE LYS A 121 -2.859 -11.378 -7.938 1.00 0.00 C ATOM 1796 NZ LYS A 121 -1.456 -11.270 -8.428 1.00 0.00 N ATOM 0 H LYS A 121 -2.025 -6.952 -2.994 1.00 0.00 H new ATOM 0 HA LYS A 121 -1.960 -9.936 -3.264 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.635 -8.622 -4.838 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.180 -8.110 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.483 -10.546 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.009 -11.008 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.284 -10.068 -6.977 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.878 -9.241 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.978 -12.281 -7.339 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.544 -11.463 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.319 -11.913 -9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.268 -10.292 -8.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.800 -11.529 -7.663 1.00 0.00 H new ATOM 1810 N ASP A 122 0.431 -9.769 -4.048 1.00 0.00 N ATOM 1811 CA ASP A 122 1.885 -9.605 -4.290 1.00 0.00 C ATOM 1812 C ASP A 122 2.128 -9.169 -5.738 1.00 0.00 C ATOM 1813 O ASP A 122 1.464 -9.620 -6.651 1.00 0.00 O ATOM 1814 CB ASP A 122 2.602 -10.932 -4.027 1.00 0.00 C ATOM 1815 CG ASP A 122 2.303 -11.399 -2.601 1.00 0.00 C ATOM 1816 OD1 ASP A 122 1.303 -12.076 -2.420 1.00 0.00 O ATOM 1817 OD2 ASP A 122 3.077 -11.074 -1.718 1.00 0.00 O ATOM 0 H ASP A 122 0.112 -10.733 -3.948 1.00 0.00 H new ATOM 0 HA ASP A 122 2.275 -8.841 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.273 -11.684 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.677 -10.810 -4.164 1.00 0.00 H new ATOM 1822 N TYR A 123 3.075 -8.295 -5.956 1.00 0.00 N ATOM 1823 CA TYR A 123 3.361 -7.832 -7.347 1.00 0.00 C ATOM 1824 C TYR A 123 4.837 -7.426 -7.455 1.00 0.00 C ATOM 1825 O TYR A 123 5.475 -7.099 -6.474 1.00 0.00 O ATOM 1826 CB TYR A 123 2.459 -6.631 -7.677 1.00 0.00 C ATOM 1827 CG TYR A 123 1.632 -6.930 -8.907 1.00 0.00 C ATOM 1828 CD1 TYR A 123 0.450 -7.673 -8.792 1.00 0.00 C ATOM 1829 CD2 TYR A 123 2.049 -6.467 -10.160 1.00 0.00 C ATOM 1830 CE1 TYR A 123 -0.315 -7.950 -9.931 1.00 0.00 C ATOM 1831 CE2 TYR A 123 1.284 -6.744 -11.299 1.00 0.00 C ATOM 1832 CZ TYR A 123 0.101 -7.486 -11.184 1.00 0.00 C ATOM 1833 OH TYR A 123 -0.653 -7.758 -12.307 1.00 0.00 O ATOM 0 H TYR A 123 3.663 -7.882 -5.232 1.00 0.00 H new ATOM 0 HA TYR A 123 3.160 -8.637 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR A 123 1.805 -6.414 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.068 -5.743 -7.845 1.00 0.00 H new ATOM 0 HD1 TYR A 123 0.129 -8.032 -7.825 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.961 -5.896 -10.248 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -1.227 -8.522 -9.843 1.00 0.00 H new ATOM 0 HE2 TYR A 123 1.605 -6.386 -12.266 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.223 -7.362 -13.094 1.00 0.00 H new ATOM 1843 N ASN A 124 5.386 -7.447 -8.643 1.00 0.00 N ATOM 1844 CA ASN A 124 6.819 -7.065 -8.813 1.00 0.00 C ATOM 1845 C ASN A 124 7.045 -5.658 -8.256 1.00 0.00 C ATOM 1846 O ASN A 124 6.455 -4.699 -8.705 1.00 0.00 O ATOM 1847 CB ASN A 124 7.183 -7.093 -10.300 1.00 0.00 C ATOM 1848 CG ASN A 124 8.704 -7.142 -10.455 1.00 0.00 C ATOM 1849 OD1 ASN A 124 9.386 -6.028 -10.443 1.00 0.00 O flip ATOM 1850 ND2 ASN A 124 9.280 -8.204 -10.589 1.00 0.00 N flip ATOM 0 H ASN A 124 4.903 -7.712 -9.502 1.00 0.00 H new ATOM 0 HA ASN A 124 7.448 -7.772 -8.273 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.730 -7.961 -10.779 1.00 0.00 H new ATOM 0 HB3 ASN A 124 6.785 -6.210 -10.799 1.00 0.00 H new ATOM 0 HD21 ASN A 124 8.749 -9.075 -10.599 1.00 0.00 H new ATOM 0 HD22 ASN A 124 10.295 -8.224 -10.692 1.00 0.00 H new ATOM 1857 N CYS A 125 7.891 -5.539 -7.272 1.00 0.00 N ATOM 1858 CA CYS A 125 8.161 -4.205 -6.655 1.00 0.00 C ATOM 1859 C CYS A 125 8.558 -3.172 -7.717 1.00 0.00 C ATOM 1860 O CYS A 125 8.834 -2.033 -7.395 1.00 0.00 O ATOM 1861 CB CYS A 125 9.312 -4.339 -5.656 1.00 0.00 C ATOM 1862 SG CYS A 125 8.820 -5.431 -4.301 1.00 0.00 S ATOM 0 H CYS A 125 8.413 -6.314 -6.863 1.00 0.00 H new ATOM 0 HA CYS A 125 7.250 -3.869 -6.159 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.195 -4.738 -6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.583 -3.358 -5.265 1.00 0.00 H new ATOM 1867 N ASN A 126 8.616 -3.546 -8.969 1.00 0.00 N ATOM 1868 CA ASN A 126 9.030 -2.557 -10.011 1.00 0.00 C ATOM 1869 C ASN A 126 7.815 -2.004 -10.763 1.00 0.00 C ATOM 1870 O ASN A 126 7.798 -0.852 -11.150 1.00 0.00 O ATOM 1871 CB ASN A 126 9.978 -3.232 -11.004 1.00 0.00 C ATOM 1872 CG ASN A 126 10.649 -2.169 -11.876 1.00 0.00 C ATOM 1873 OD1 ASN A 126 10.010 -1.559 -12.710 1.00 0.00 O ATOM 1874 ND2 ASN A 126 11.920 -1.918 -11.714 1.00 0.00 N ATOM 0 H ASN A 126 8.398 -4.481 -9.313 1.00 0.00 H new ATOM 0 HA ASN A 126 9.534 -1.727 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.733 -3.807 -10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.427 -3.934 -11.629 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.377 -1.209 -12.288 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.456 -2.431 -11.014 1.00 0.00 H new ATOM 1881 N VAL A 127 6.797 -2.791 -10.973 1.00 0.00 N ATOM 1882 CA VAL A 127 5.605 -2.257 -11.699 1.00 0.00 C ATOM 1883 C VAL A 127 5.139 -1.011 -10.955 1.00 0.00 C ATOM 1884 O VAL A 127 5.021 -1.022 -9.746 1.00 0.00 O ATOM 1885 CB VAL A 127 4.487 -3.307 -11.707 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.193 -2.689 -12.245 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.900 -4.479 -12.601 1.00 0.00 C ATOM 0 H VAL A 127 6.735 -3.766 -10.680 1.00 0.00 H new ATOM 0 HA VAL A 127 5.858 -2.018 -12.732 1.00 0.00 H new ATOM 0 HB VAL A 127 4.319 -3.660 -10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.404 -3.441 -12.247 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.897 -1.854 -11.610 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.356 -2.331 -13.262 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.108 -5.227 -12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.070 -4.120 -13.616 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.817 -4.925 -12.215 1.00 0.00 H new ATOM 1897 N ARG A 128 4.901 0.081 -11.638 1.00 0.00 N ATOM 1898 CA ARG A 128 4.488 1.297 -10.904 1.00 0.00 C ATOM 1899 C ARG A 128 2.985 1.349 -10.790 1.00 0.00 C ATOM 1900 O ARG A 128 2.291 0.832 -11.642 1.00 0.00 O ATOM 1901 CB ARG A 128 4.992 2.526 -11.674 1.00 0.00 C ATOM 1902 CG ARG A 128 5.133 2.184 -13.162 1.00 0.00 C ATOM 1903 CD ARG A 128 5.448 3.453 -13.964 1.00 0.00 C ATOM 1904 NE ARG A 128 6.426 3.126 -15.040 1.00 0.00 N ATOM 1905 CZ ARG A 128 7.694 3.009 -14.755 1.00 0.00 C ATOM 1906 NH1 ARG A 128 8.454 4.068 -14.707 1.00 0.00 N ATOM 1907 NH2 ARG A 128 8.204 1.830 -14.517 1.00 0.00 N ATOM 0 H ARG A 128 4.975 0.175 -12.651 1.00 0.00 H new ATOM 0 HA ARG A 128 4.912 1.283 -9.900 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.298 3.357 -11.546 1.00 0.00 H new ATOM 0 HB3 ARG A 128 5.953 2.849 -11.273 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.926 1.450 -13.301 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.212 1.731 -13.529 1.00 0.00 H new ATOM 0 HD2 ARG A 128 4.534 3.859 -14.398 1.00 0.00 H new ATOM 0 HD3 ARG A 128 5.856 4.220 -13.307 1.00 0.00 H new ATOM 0 HE ARG A 128 6.104 2.994 -15.999 1.00 0.00 H new ATOM 0 HH11 ARG A 128 8.057 4.989 -14.892 1.00 0.00 H new ATOM 0 HH12 ARG A 128 9.445 3.975 -14.484 1.00 0.00 H new ATOM 0 HH21 ARG A 128 7.611 1.001 -14.554 1.00 0.00 H new ATOM 0 HH22 ARG A 128 9.195 1.739 -14.294 1.00 0.00 H new ATOM 1921 N LEU A 129 2.442 1.950 -9.751 1.00 0.00 N ATOM 1922 CA LEU A 129 0.937 1.942 -9.700 1.00 0.00 C ATOM 1923 C LEU A 129 0.430 3.195 -9.042 1.00 0.00 C ATOM 1924 O LEU A 129 1.149 3.798 -8.269 1.00 0.00 O ATOM 1925 CB LEU A 129 0.484 0.751 -8.848 1.00 0.00 C ATOM 1926 CG LEU A 129 0.541 -0.554 -9.655 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.745 -1.391 -9.214 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.735 -1.347 -9.396 1.00 0.00 C ATOM 0 H LEU A 129 2.932 2.415 -8.986 1.00 0.00 H new ATOM 0 HA LEU A 129 0.549 1.877 -10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.120 0.666 -7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.533 0.919 -8.492 1.00 0.00 H new ATOM 0 HG LEU A 129 0.636 -0.320 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.777 -2.315 -9.792 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.662 -0.826 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.654 -1.629 -8.154 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.707 -2.277 -9.964 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -0.813 -1.573 -8.333 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.598 -0.758 -9.706 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.799 3.576 -9.240 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.303 4.748 -8.504 1.00 0.00 C ATOM 1942 C PRO A 130 -1.121 4.436 -7.016 1.00 0.00 C ATOM 1943 O PRO A 130 -1.264 3.295 -6.624 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.780 4.800 -8.914 1.00 0.00 C ATOM 1945 CG PRO A 130 -3.059 3.641 -9.891 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.740 2.905 -10.174 1.00 0.00 C ATOM 0 HA PRO A 130 -0.809 5.698 -8.706 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.420 4.717 -8.035 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -3.009 5.756 -9.385 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.790 2.955 -9.464 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.485 4.023 -10.819 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.819 1.836 -9.974 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.428 3.013 -11.213 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.752 5.369 -6.184 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.524 4.975 -4.759 1.00 0.00 C ATOM 1956 C TYR A 131 -0.880 6.091 -3.782 1.00 0.00 C ATOM 1957 O TYR A 131 -1.252 7.182 -4.166 1.00 0.00 O ATOM 1958 CB TYR A 131 0.955 4.637 -4.585 1.00 0.00 C ATOM 1959 CG TYR A 131 1.782 5.883 -4.798 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.047 6.333 -6.096 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.283 6.589 -3.697 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.811 7.489 -6.295 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.048 7.744 -3.896 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.312 8.195 -5.195 1.00 0.00 C ATOM 1965 OH TYR A 131 4.067 9.334 -5.391 1.00 0.00 O ATOM 0 H TYR A 131 -0.602 6.352 -6.412 1.00 0.00 H new ATOM 0 HA TYR A 131 -1.166 4.122 -4.541 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.133 4.235 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.249 3.866 -5.297 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.662 5.788 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.079 6.242 -2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 131 3.014 7.836 -7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.435 8.288 -3.047 1.00 0.00 H new ATOM 0 HH TYR A 131 4.335 9.702 -4.523 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.738 5.813 -2.508 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.035 6.839 -1.467 1.00 0.00 C ATOM 1977 C VAL A 132 0.231 7.062 -0.641 1.00 0.00 C ATOM 1978 O VAL A 132 1.096 6.210 -0.580 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.168 6.344 -0.564 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.392 7.342 0.576 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.455 6.218 -1.383 1.00 0.00 C ATOM 0 H VAL A 132 -0.427 4.912 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.346 7.774 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.899 5.372 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.199 6.987 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.478 7.436 1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.659 8.314 0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.262 5.866 -0.741 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.719 7.191 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.301 5.508 -2.195 1.00 0.00 H new ATOM 1991 N CYS A 133 0.363 8.200 -0.016 1.00 0.00 N ATOM 1992 CA CYS A 133 1.595 8.471 0.785 1.00 0.00 C ATOM 1993 C CYS A 133 1.221 9.125 2.120 1.00 0.00 C ATOM 1994 O CYS A 133 0.481 10.086 2.161 1.00 0.00 O ATOM 1995 CB CYS A 133 2.497 9.414 -0.018 1.00 0.00 C ATOM 1996 SG CYS A 133 3.783 10.100 1.052 1.00 0.00 S ATOM 0 H CYS A 133 -0.325 8.953 -0.024 1.00 0.00 H new ATOM 0 HA CYS A 133 2.116 7.536 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.953 8.875 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.903 10.220 -0.449 1.00 0.00 H new ATOM 2001 N LYS A 134 1.736 8.614 3.216 1.00 0.00 N ATOM 2002 CA LYS A 134 1.413 9.212 4.548 1.00 0.00 C ATOM 2003 C LYS A 134 2.583 10.093 4.999 1.00 0.00 C ATOM 2004 O LYS A 134 3.707 9.895 4.584 1.00 0.00 O ATOM 2005 CB LYS A 134 1.184 8.083 5.566 1.00 0.00 C ATOM 2006 CG LYS A 134 2.521 7.641 6.170 1.00 0.00 C ATOM 2007 CD LYS A 134 2.372 6.249 6.790 1.00 0.00 C ATOM 2008 CE LYS A 134 1.245 6.264 7.826 1.00 0.00 C ATOM 2009 NZ LYS A 134 1.482 5.190 8.832 1.00 0.00 N ATOM 0 H LYS A 134 2.364 7.811 3.243 1.00 0.00 H new ATOM 0 HA LYS A 134 0.511 9.820 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.514 8.425 6.355 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.698 7.237 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.292 7.626 5.400 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.842 8.355 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 134 2.155 5.516 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.308 5.948 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 134 1.202 7.235 8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.283 6.112 7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 0.594 4.679 9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 2.197 4.527 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.821 5.614 9.719 1.00 0.00 H new ATOM 2023 N PHE A 135 2.334 11.069 5.840 1.00 0.00 N ATOM 2024 CA PHE A 135 3.457 11.956 6.291 1.00 0.00 C ATOM 2025 C PHE A 135 2.955 12.974 7.318 1.00 0.00 C ATOM 2026 O PHE A 135 2.077 13.763 7.042 1.00 0.00 O ATOM 2027 CB PHE A 135 4.027 12.714 5.088 1.00 0.00 C ATOM 2028 CG PHE A 135 2.911 13.423 4.354 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.228 12.773 3.319 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.561 14.731 4.710 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.196 13.432 2.639 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.529 15.389 4.030 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.847 14.739 2.996 1.00 0.00 C ATOM 0 H PHE A 135 1.417 11.289 6.229 1.00 0.00 H new ATOM 0 HA PHE A 135 4.228 11.334 6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.772 13.437 5.421 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.534 12.021 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.497 11.764 3.045 1.00 0.00 H new ATOM 0 HD2 PHE A 135 3.087 15.232 5.509 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.670 12.932 1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 135 1.260 16.398 4.304 1.00 0.00 H new ATOM 0 HZ PHE A 135 0.050 15.247 2.473 1.00 0.00 H new