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= 1.01 USER MOD Set 1.2: A 112 SER OG : rot 49:sc= 1.75 USER MOD Set 1.3: A 114 SER OG : rot -77:sc= 0.452 USER MOD Set 2.1: A 31 GLN :FLIP amide:sc= 0 F(o=-4.8,f=-3) USER MOD Set 2.2: A 37 ASN :FLIP amide:sc= -3.02! C(o=-5.2!,f=-3!) USER MOD Set 3.1: A 14 TYR OH : rot 150:sc= -0.406 USER MOD Set 3.2: A 134 LYS NZ :NH3+ 159:sc= -1.07 (180deg=-2.12!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 177:sc= 0.829 (180deg=0.818) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -53:sc= 1.11 USER MOD Single : A 12 HIS :FLIP no HD1:sc= -2.34 F(o=-3.8!,f=-2.3) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.377 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.184 (180deg=-0.938) USER MOD Single : A 22 SER OG : rot -88:sc= 0.965 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -52:sc= 0.00263 USER MOD Single : A 40 SER OG : rot 180:sc= -0.814 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 89:sc= 0.489 USER MOD Single : A 51 SER OG : rot 133:sc= 0.556 USER MOD Single : A 52 SER OG : rot -45:sc= 0.84 USER MOD Single : A 55 LYS NZ :NH3+ -142:sc= -0.573 (180deg=-2.59!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.322 USER MOD Single : A 69 HIS :FLIP no HE2:sc= 0.0168 F(o=-0.49,f=0.017) USER MOD Single : A 85 SER OG : rot -155:sc= 0.103 USER MOD Single : A 90 MET CE :methyl -149:sc= -0.28 (180deg=-1.58!) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.468 X(o=-0.47,f=-0.12) USER MOD Single : A 110 SER OG : rot 162:sc= 0.142 USER MOD Single : A 115 THR OG1 : rot -29:sc= 0.549 USER MOD Single : A 121 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.303) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0.195 K(o=0.19,f=-4.7!) USER MOD Single : A 126 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 131 TYR OH : rot 180:sc= -0.138 USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.579 15.406 0.540 1.00 0.00 N ATOM 81 CA SER A 6 -5.736 14.620 1.488 1.00 0.00 C ATOM 82 C SER A 6 -6.544 14.326 2.754 1.00 0.00 C ATOM 83 O SER A 6 -7.372 15.116 3.163 1.00 0.00 O ATOM 84 CB SER A 6 -4.491 15.430 1.853 1.00 0.00 C ATOM 85 OG SER A 6 -4.780 16.254 2.975 1.00 0.00 O ATOM 0 HA SER A 6 -5.434 13.683 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.662 14.761 2.083 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.181 16.043 1.007 1.00 0.00 H new ATOM 0 HG SER A 6 -3.984 16.774 3.213 1.00 0.00 H new ATOM 91 N LYS A 7 -6.317 13.198 3.377 1.00 0.00 N ATOM 92 CA LYS A 7 -7.083 12.860 4.618 1.00 0.00 C ATOM 93 C LYS A 7 -6.110 12.486 5.737 1.00 0.00 C ATOM 94 O LYS A 7 -5.206 11.700 5.548 1.00 0.00 O ATOM 95 CB LYS A 7 -8.012 11.676 4.335 1.00 0.00 C ATOM 96 CG LYS A 7 -9.094 12.101 3.336 1.00 0.00 C ATOM 97 CD LYS A 7 -10.236 11.078 3.329 1.00 0.00 C ATOM 98 CE LYS A 7 -9.865 9.892 2.435 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.758 8.740 2.743 1.00 0.00 N ATOM 0 H LYS A 7 -5.637 12.497 3.082 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.673 13.723 4.926 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.440 10.839 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.472 11.332 5.261 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.479 13.085 3.602 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.665 12.186 2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.433 10.732 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.152 11.545 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.961 10.170 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.824 9.612 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.540 7.951 2.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.608 8.438 3.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.750 9.026 2.616 1.00 0.00 H new ATOM 113 N ALA A 8 -6.289 13.044 6.904 1.00 0.00 N ATOM 114 CA ALA A 8 -5.370 12.717 8.032 1.00 0.00 C ATOM 115 C ALA A 8 -5.900 11.502 8.793 1.00 0.00 C ATOM 116 O ALA A 8 -7.037 11.469 9.221 1.00 0.00 O ATOM 117 CB ALA A 8 -5.277 13.912 8.983 1.00 0.00 C ATOM 0 H ALA A 8 -7.029 13.710 7.125 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.381 12.492 7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.605 13.670 9.806 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.893 14.778 8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.267 14.141 9.378 1.00 0.00 H new ATOM 123 N TYR A 9 -5.075 10.506 8.969 1.00 0.00 N ATOM 124 CA TYR A 9 -5.509 9.285 9.704 1.00 0.00 C ATOM 125 C TYR A 9 -4.374 8.834 10.627 1.00 0.00 C ATOM 126 O TYR A 9 -3.218 9.095 10.368 1.00 0.00 O ATOM 127 CB TYR A 9 -5.832 8.174 8.701 1.00 0.00 C ATOM 128 CG TYR A 9 -6.716 7.140 9.357 1.00 0.00 C ATOM 129 CD1 TYR A 9 -6.143 6.063 10.044 1.00 0.00 C ATOM 130 CD2 TYR A 9 -8.107 7.259 9.278 1.00 0.00 C ATOM 131 CE1 TYR A 9 -6.964 5.104 10.651 1.00 0.00 C ATOM 132 CE2 TYR A 9 -8.929 6.302 9.885 1.00 0.00 C ATOM 133 CZ TYR A 9 -8.357 5.224 10.572 1.00 0.00 C ATOM 134 OH TYR A 9 -9.166 4.280 11.169 1.00 0.00 O ATOM 0 H TYR A 9 -4.112 10.486 8.633 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.399 9.502 10.295 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.332 8.593 7.828 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.911 7.709 8.349 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.069 5.972 10.106 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.548 8.090 8.748 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.523 4.272 11.180 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.003 6.395 9.824 1.00 0.00 H new ATOM 0 HH TYR A 9 -10.106 4.514 11.020 1.00 0.00 H new ATOM 144 N GLY A 10 -4.689 8.168 11.700 1.00 0.00 N ATOM 145 CA GLY A 10 -3.614 7.714 12.626 1.00 0.00 C ATOM 146 C GLY A 10 -2.859 8.933 13.161 1.00 0.00 C ATOM 147 O GLY A 10 -3.037 9.333 14.295 1.00 0.00 O ATOM 0 H GLY A 10 -5.639 7.919 11.976 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.045 7.147 13.452 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.928 7.046 12.105 1.00 0.00 H new ATOM 151 N SER A 11 -2.019 9.530 12.357 1.00 0.00 N ATOM 152 CA SER A 11 -1.259 10.724 12.828 1.00 0.00 C ATOM 153 C SER A 11 -0.436 11.313 11.676 1.00 0.00 C ATOM 154 O SER A 11 0.620 11.875 11.886 1.00 0.00 O ATOM 155 CB SER A 11 -0.319 10.314 13.962 1.00 0.00 C ATOM 156 OG SER A 11 0.524 11.409 14.291 1.00 0.00 O ATOM 0 H SER A 11 -1.827 9.243 11.397 1.00 0.00 H new ATOM 0 HA SER A 11 -1.964 11.475 13.185 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.895 10.009 14.835 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.281 9.456 13.660 1.00 0.00 H new ATOM 0 HG SER A 11 0.964 11.739 13.480 1.00 0.00 H new ATOM 162 N HIS A 12 -0.906 11.194 10.461 1.00 0.00 N ATOM 163 CA HIS A 12 -0.147 11.753 9.311 1.00 0.00 C ATOM 164 C HIS A 12 -1.133 12.183 8.224 1.00 0.00 C ATOM 165 O HIS A 12 -2.245 11.700 8.160 1.00 0.00 O ATOM 166 CB HIS A 12 0.787 10.681 8.745 1.00 0.00 C ATOM 167 CG HIS A 12 1.623 10.095 9.848 1.00 0.00 C ATOM 168 ND1 HIS A 12 1.327 9.204 10.851 1.00 0.00 N flip ATOM 169 CD2 HIS A 12 2.962 10.411 10.006 1.00 0.00 C flip ATOM 170 CE1 HIS A 12 2.464 8.972 11.620 1.00 0.00 C flip ATOM 171 NE2 HIS A 12 3.419 9.723 11.068 1.00 0.00 N flip ATOM 0 H HIS A 12 -1.783 10.733 10.219 1.00 0.00 H new ATOM 0 HA HIS A 12 0.440 12.610 9.642 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.204 9.896 8.263 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.431 11.115 7.980 1.00 0.00 H new ATOM 0 HD2 HIS A 12 3.535 11.087 9.389 1.00 0.00 H new ATOM 0 HE1 HIS A 12 2.554 8.323 12.479 1.00 0.00 H new ATOM 0 HE2 HIS A 12 4.379 9.770 11.410 1.00 0.00 H new ATOM 179 N CYS A 13 -0.733 13.076 7.362 1.00 0.00 N ATOM 180 CA CYS A 13 -1.647 13.518 6.274 1.00 0.00 C ATOM 181 C CYS A 13 -1.505 12.546 5.102 1.00 0.00 C ATOM 182 O CYS A 13 -0.416 12.297 4.625 1.00 0.00 O ATOM 183 CB CYS A 13 -1.264 14.935 5.826 1.00 0.00 C ATOM 184 SG CYS A 13 -2.279 16.145 6.711 1.00 0.00 S ATOM 0 H CYS A 13 0.186 13.518 7.364 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.678 13.528 6.627 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.208 15.117 6.024 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.410 15.040 4.751 1.00 0.00 H new ATOM 0 HG CYS A 13 -1.952 17.345 6.333 1.00 0.00 H new ATOM 189 N TYR A 14 -2.591 11.987 4.642 1.00 0.00 N ATOM 190 CA TYR A 14 -2.508 11.019 3.510 1.00 0.00 C ATOM 191 C TYR A 14 -2.938 11.698 2.213 1.00 0.00 C ATOM 192 O TYR A 14 -3.879 12.465 2.186 1.00 0.00 O ATOM 193 CB TYR A 14 -3.422 9.823 3.787 1.00 0.00 C ATOM 194 CG TYR A 14 -2.887 9.043 4.964 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.898 9.613 6.243 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.373 7.753 4.779 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.398 8.896 7.333 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.874 7.036 5.873 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.885 7.607 7.149 1.00 0.00 C ATOM 200 OH TYR A 14 -1.392 6.900 8.227 1.00 0.00 O ATOM 0 H TYR A 14 -3.531 12.158 5.000 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.479 10.675 3.411 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.435 10.167 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.477 9.182 2.907 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.293 10.608 6.387 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.362 7.312 3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.407 9.337 8.319 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.480 6.040 5.731 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.522 5.940 8.076 1.00 0.00 H new ATOM 210 N ALA A 15 -2.255 11.418 1.134 1.00 0.00 N ATOM 211 CA ALA A 15 -2.620 12.043 -0.170 1.00 0.00 C ATOM 212 C ALA A 15 -2.560 10.988 -1.276 1.00 0.00 C ATOM 213 O ALA A 15 -1.609 10.238 -1.383 1.00 0.00 O ATOM 214 CB ALA A 15 -1.638 13.172 -0.488 1.00 0.00 C ATOM 0 H ALA A 15 -1.458 10.782 1.100 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.630 12.448 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.905 13.629 -1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.681 13.924 0.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.627 12.769 -0.549 1.00 0.00 H new ATOM 220 N LEU A 16 -3.572 10.922 -2.096 1.00 0.00 N ATOM 221 CA LEU A 16 -3.588 9.916 -3.197 1.00 0.00 C ATOM 222 C LEU A 16 -2.997 10.543 -4.465 1.00 0.00 C ATOM 223 O LEU A 16 -3.330 11.652 -4.833 1.00 0.00 O ATOM 224 CB LEU A 16 -5.038 9.481 -3.448 1.00 0.00 C ATOM 225 CG LEU A 16 -5.158 8.740 -4.786 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.257 7.501 -4.779 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.612 8.307 -4.992 1.00 0.00 C ATOM 0 H LEU A 16 -4.394 11.525 -2.051 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.991 9.046 -2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.375 8.835 -2.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.690 10.355 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.849 9.403 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.347 6.980 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.221 7.805 -4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.560 6.835 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.704 7.780 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.913 7.646 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.256 9.187 -5.002 1.00 0.00 H new ATOM 239 N PHE A 17 -2.135 9.830 -5.143 1.00 0.00 N ATOM 240 CA PHE A 17 -1.530 10.355 -6.394 1.00 0.00 C ATOM 241 C PHE A 17 -1.829 9.361 -7.512 1.00 0.00 C ATOM 242 O PHE A 17 -1.379 8.231 -7.488 1.00 0.00 O ATOM 243 CB PHE A 17 -0.012 10.492 -6.215 1.00 0.00 C ATOM 244 CG PHE A 17 0.308 11.835 -5.598 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.031 12.069 -4.246 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.885 12.844 -6.380 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.329 13.312 -3.675 1.00 0.00 C ATOM 248 CE2 PHE A 17 1.182 14.087 -5.807 1.00 0.00 C ATOM 249 CZ PHE A 17 0.904 14.321 -4.456 1.00 0.00 C ATOM 0 H PHE A 17 -1.824 8.896 -4.876 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.943 11.334 -6.636 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.363 9.690 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.488 10.395 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.413 11.290 -3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.100 12.664 -7.423 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.115 13.492 -2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.626 14.866 -6.409 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.133 15.280 -4.016 1.00 0.00 H new ATOM 259 N LEU A 18 -2.581 9.770 -8.489 1.00 0.00 N ATOM 260 CA LEU A 18 -2.905 8.849 -9.605 1.00 0.00 C ATOM 261 C LEU A 18 -1.648 8.664 -10.432 1.00 0.00 C ATOM 262 O LEU A 18 -1.673 8.149 -11.531 1.00 0.00 O ATOM 263 CB LEU A 18 -4.017 9.453 -10.468 1.00 0.00 C ATOM 264 CG LEU A 18 -5.081 10.081 -9.565 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.296 10.476 -10.407 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.509 9.072 -8.497 1.00 0.00 C ATOM 0 H LEU A 18 -2.986 10.703 -8.563 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.251 7.889 -9.222 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.603 10.206 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.466 8.682 -11.094 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.668 10.967 -9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.054 10.923 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.993 11.196 -11.167 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.707 9.590 -10.891 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.267 9.521 -7.855 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.921 8.185 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.645 8.790 -7.896 1.00 0.00 H new ATOM 278 N SER A 19 -0.536 9.091 -9.900 1.00 0.00 N ATOM 279 CA SER A 19 0.740 8.946 -10.655 1.00 0.00 C ATOM 280 C SER A 19 1.396 7.600 -10.308 1.00 0.00 C ATOM 281 O SER A 19 1.673 7.325 -9.157 1.00 0.00 O ATOM 282 CB SER A 19 1.699 10.080 -10.295 1.00 0.00 C ATOM 283 OG SER A 19 1.061 10.968 -9.383 1.00 0.00 O ATOM 0 H SER A 19 -0.456 9.530 -8.983 1.00 0.00 H new ATOM 0 HA SER A 19 0.522 8.986 -11.722 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.608 9.675 -9.850 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.997 10.618 -11.195 1.00 0.00 H new ATOM 0 HG SER A 19 1.676 11.695 -9.150 1.00 0.00 H new ATOM 289 N PRO A 20 1.651 6.768 -11.289 1.00 0.00 N ATOM 290 CA PRO A 20 2.291 5.446 -11.036 1.00 0.00 C ATOM 291 C PRO A 20 3.709 5.588 -10.462 1.00 0.00 C ATOM 292 O PRO A 20 4.421 6.523 -10.775 1.00 0.00 O ATOM 293 CB PRO A 20 2.338 4.825 -12.436 1.00 0.00 C ATOM 294 CG PRO A 20 1.746 5.820 -13.445 1.00 0.00 C ATOM 295 CD PRO A 20 1.314 7.081 -12.704 1.00 0.00 C ATOM 0 HA PRO A 20 1.748 4.852 -10.301 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.366 4.582 -12.706 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.775 3.892 -12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.484 6.066 -14.208 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.894 5.374 -13.958 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.848 7.962 -13.061 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.250 7.280 -12.831 1.00 0.00 H new ATOM 303 N LYS A 21 4.132 4.662 -9.638 1.00 0.00 N ATOM 304 CA LYS A 21 5.509 4.749 -9.065 1.00 0.00 C ATOM 305 C LYS A 21 5.932 3.377 -8.532 1.00 0.00 C ATOM 306 O LYS A 21 5.236 2.772 -7.747 1.00 0.00 O ATOM 307 CB LYS A 21 5.522 5.765 -7.915 1.00 0.00 C ATOM 308 CG LYS A 21 5.594 7.194 -8.468 1.00 0.00 C ATOM 309 CD LYS A 21 6.138 8.133 -7.389 1.00 0.00 C ATOM 310 CE LYS A 21 6.135 9.570 -7.913 1.00 0.00 C ATOM 311 NZ LYS A 21 6.672 9.593 -9.303 1.00 0.00 N ATOM 0 H LYS A 21 3.586 3.854 -9.339 1.00 0.00 H new ATOM 0 HA LYS A 21 6.203 5.067 -9.843 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.625 5.648 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.375 5.576 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.237 7.223 -9.348 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.604 7.523 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.528 8.062 -6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.150 7.838 -7.112 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.122 9.972 -7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.741 10.205 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.988 10.556 -9.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.476 8.938 -9.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.927 9.301 -9.968 1.00 0.00 H new ATOM 325 N SER A 22 7.072 2.882 -8.937 1.00 0.00 N ATOM 326 CA SER A 22 7.527 1.552 -8.433 1.00 0.00 C ATOM 327 C SER A 22 7.378 1.517 -6.913 1.00 0.00 C ATOM 328 O SER A 22 7.521 2.521 -6.243 1.00 0.00 O ATOM 329 CB SER A 22 8.990 1.336 -8.813 1.00 0.00 C ATOM 330 OG SER A 22 9.091 1.177 -10.221 1.00 0.00 O ATOM 0 H SER A 22 7.706 3.339 -9.593 1.00 0.00 H new ATOM 0 HA SER A 22 6.922 0.762 -8.878 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.591 2.185 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.383 0.454 -8.307 1.00 0.00 H new ATOM 0 HG SER A 22 8.965 0.233 -10.453 1.00 0.00 H new ATOM 336 N TRP A 23 7.097 0.371 -6.355 1.00 0.00 N ATOM 337 CA TRP A 23 6.947 0.293 -4.875 1.00 0.00 C ATOM 338 C TRP A 23 8.231 0.808 -4.239 1.00 0.00 C ATOM 339 O TRP A 23 8.258 1.211 -3.095 1.00 0.00 O ATOM 340 CB TRP A 23 6.717 -1.160 -4.451 1.00 0.00 C ATOM 341 CG TRP A 23 6.730 -1.251 -2.958 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.631 -1.331 -2.175 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.877 -1.271 -2.059 1.00 0.00 C ATOM 344 NE1 TRP A 23 6.029 -1.400 -0.851 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.404 -1.365 -0.729 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.267 -1.216 -2.267 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.279 -1.405 0.357 1.00 0.00 C ATOM 348 CZ3 TRP A 23 10.151 -1.256 -1.175 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.658 -1.350 0.133 1.00 0.00 C ATOM 0 H TRP A 23 6.966 -0.508 -6.856 1.00 0.00 H new ATOM 0 HA TRP A 23 6.095 0.892 -4.554 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.763 -1.517 -4.840 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.492 -1.800 -4.872 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.609 -1.340 -2.525 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.386 -1.468 -0.062 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.657 -1.143 -3.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.894 -1.478 1.363 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 11.217 -1.214 -1.345 1.00 0.00 H new ATOM 0 HH2 TRP A 23 10.343 -1.380 0.968 1.00 0.00 H new ATOM 360 N THR A 24 9.295 0.799 -4.985 1.00 0.00 N ATOM 361 CA THR A 24 10.597 1.285 -4.453 1.00 0.00 C ATOM 362 C THR A 24 10.740 2.771 -4.777 1.00 0.00 C ATOM 363 O THR A 24 11.529 3.480 -4.185 1.00 0.00 O ATOM 364 CB THR A 24 11.730 0.493 -5.112 1.00 0.00 C ATOM 365 OG1 THR A 24 12.935 0.705 -4.389 1.00 0.00 O ATOM 366 CG2 THR A 24 11.914 0.950 -6.563 1.00 0.00 C ATOM 0 H THR A 24 9.320 0.473 -5.951 1.00 0.00 H new ATOM 0 HA THR A 24 10.642 1.146 -3.373 1.00 0.00 H new ATOM 0 HB THR A 24 11.479 -0.568 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.661 0.198 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.722 0.381 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.990 0.783 -7.117 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.161 2.011 -6.582 1.00 0.00 H new ATOM 374 N ASP A 25 9.974 3.238 -5.721 1.00 0.00 N ATOM 375 CA ASP A 25 10.041 4.675 -6.112 1.00 0.00 C ATOM 376 C ASP A 25 9.100 5.481 -5.225 1.00 0.00 C ATOM 377 O ASP A 25 9.438 6.552 -4.763 1.00 0.00 O ATOM 378 CB ASP A 25 9.624 4.836 -7.578 1.00 0.00 C ATOM 379 CG ASP A 25 10.786 4.443 -8.493 1.00 0.00 C ATOM 380 OD1 ASP A 25 11.922 4.554 -8.062 1.00 0.00 O ATOM 381 OD2 ASP A 25 10.520 4.035 -9.612 1.00 0.00 O ATOM 0 H ASP A 25 9.298 2.682 -6.244 1.00 0.00 H new ATOM 0 HA ASP A 25 11.062 5.036 -5.989 1.00 0.00 H new ATOM 0 HB2 ASP A 25 8.756 4.212 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.330 5.868 -7.771 1.00 0.00 H new ATOM 386 N ALA A 26 7.927 4.972 -4.957 1.00 0.00 N ATOM 387 CA ALA A 26 7.001 5.718 -4.080 1.00 0.00 C ATOM 388 C ALA A 26 7.506 5.550 -2.658 1.00 0.00 C ATOM 389 O ALA A 26 7.366 6.417 -1.824 1.00 0.00 O ATOM 390 CB ALA A 26 5.593 5.150 -4.219 1.00 0.00 C ATOM 0 H ALA A 26 7.579 4.080 -5.307 1.00 0.00 H new ATOM 0 HA ALA A 26 6.963 6.774 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.912 5.702 -3.571 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.264 5.243 -5.254 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.595 4.099 -3.931 1.00 0.00 H new ATOM 396 N ASP A 27 8.117 4.431 -2.384 1.00 0.00 N ATOM 397 CA ASP A 27 8.663 4.193 -1.031 1.00 0.00 C ATOM 398 C ASP A 27 9.728 5.252 -0.728 1.00 0.00 C ATOM 399 O ASP A 27 9.779 5.805 0.351 1.00 0.00 O ATOM 400 CB ASP A 27 9.295 2.805 -1.005 1.00 0.00 C ATOM 401 CG ASP A 27 10.075 2.614 0.298 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.804 3.342 1.239 1.00 0.00 O ATOM 403 OD2 ASP A 27 10.928 1.744 0.333 1.00 0.00 O ATOM 0 H ASP A 27 8.259 3.670 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 27 7.873 4.255 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.522 2.042 -1.092 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.961 2.683 -1.859 1.00 0.00 H new ATOM 408 N LEU A 28 10.580 5.531 -1.677 1.00 0.00 N ATOM 409 CA LEU A 28 11.647 6.548 -1.453 1.00 0.00 C ATOM 410 C LEU A 28 11.044 7.957 -1.465 1.00 0.00 C ATOM 411 O LEU A 28 11.365 8.786 -0.636 1.00 0.00 O ATOM 412 CB LEU A 28 12.698 6.433 -2.565 1.00 0.00 C ATOM 413 CG LEU A 28 14.007 7.099 -2.114 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.856 6.096 -1.327 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.790 7.564 -3.346 1.00 0.00 C ATOM 0 H LEU A 28 10.583 5.097 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 28 12.113 6.370 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.876 5.384 -2.803 1.00 0.00 H new ATOM 0 HB3 LEU A 28 12.332 6.909 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 28 13.775 7.953 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.783 6.574 -1.010 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.303 5.760 -0.450 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.088 5.240 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.719 8.037 -3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.017 6.706 -3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.191 8.281 -3.908 1.00 0.00 H new ATOM 427 N ALA A 29 10.184 8.240 -2.403 1.00 0.00 N ATOM 428 CA ALA A 29 9.575 9.602 -2.469 1.00 0.00 C ATOM 429 C ALA A 29 8.689 9.839 -1.246 1.00 0.00 C ATOM 430 O ALA A 29 8.843 10.816 -0.541 1.00 0.00 O ATOM 431 CB ALA A 29 8.732 9.723 -3.735 1.00 0.00 C ATOM 0 H ALA A 29 9.876 7.590 -3.126 1.00 0.00 H new ATOM 0 HA ALA A 29 10.371 10.347 -2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.288 10.717 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.364 9.566 -4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.941 8.973 -3.719 1.00 0.00 H new ATOM 437 N CYS A 30 7.762 8.960 -0.977 1.00 0.00 N ATOM 438 CA CYS A 30 6.892 9.161 0.208 1.00 0.00 C ATOM 439 C CYS A 30 7.774 9.153 1.453 1.00 0.00 C ATOM 440 O CYS A 30 7.401 9.645 2.498 1.00 0.00 O ATOM 441 CB CYS A 30 5.855 8.042 0.282 1.00 0.00 C ATOM 442 SG CYS A 30 4.703 8.377 1.638 1.00 0.00 S ATOM 0 H CYS A 30 7.573 8.120 -1.523 1.00 0.00 H new ATOM 0 HA CYS A 30 6.364 10.112 0.136 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.313 7.971 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.349 7.083 0.439 1.00 0.00 H new ATOM 447 N GLN A 31 8.961 8.618 1.341 1.00 0.00 N ATOM 448 CA GLN A 31 9.883 8.608 2.507 1.00 0.00 C ATOM 449 C GLN A 31 10.549 9.977 2.589 1.00 0.00 C ATOM 450 O GLN A 31 10.854 10.476 3.654 1.00 0.00 O ATOM 451 CB GLN A 31 10.950 7.525 2.324 1.00 0.00 C ATOM 452 CG GLN A 31 12.030 7.679 3.397 1.00 0.00 C ATOM 453 CD GLN A 31 12.897 6.421 3.435 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.441 5.346 4.018 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 14.002 6.413 2.926 1.00 0.00 N flip ATOM 0 H GLN A 31 9.329 8.189 0.492 1.00 0.00 H new ATOM 0 HA GLN A 31 9.330 8.395 3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.495 6.537 2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.395 7.603 1.332 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.647 8.552 3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.569 7.845 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 31 14.360 7.252 2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.571 5.567 2.955 1.00 0.00 H new ATOM 464 N LYS A 32 10.764 10.590 1.458 1.00 0.00 N ATOM 465 CA LYS A 32 11.394 11.930 1.440 1.00 0.00 C ATOM 466 C LYS A 32 10.466 12.919 2.151 1.00 0.00 C ATOM 467 O LYS A 32 10.791 14.077 2.335 1.00 0.00 O ATOM 468 CB LYS A 32 11.611 12.360 -0.015 1.00 0.00 C ATOM 469 CG LYS A 32 11.888 13.862 -0.085 1.00 0.00 C ATOM 470 CD LYS A 32 12.522 14.203 -1.436 1.00 0.00 C ATOM 471 CE LYS A 32 11.525 13.907 -2.558 1.00 0.00 C ATOM 472 NZ LYS A 32 11.991 14.546 -3.820 1.00 0.00 N ATOM 0 H LYS A 32 10.527 10.213 0.541 1.00 0.00 H new ATOM 0 HA LYS A 32 12.356 11.907 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.447 11.808 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.730 12.117 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.961 14.420 0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.554 14.158 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.810 15.254 -1.459 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.431 13.620 -1.580 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.428 12.830 -2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.538 14.284 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.313 14.344 -4.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.062 15.574 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.924 14.166 -4.078 1.00 0.00 H new ATOM 486 N ARG A 33 9.308 12.464 2.553 1.00 0.00 N ATOM 487 CA ARG A 33 8.342 13.361 3.253 1.00 0.00 C ATOM 488 C ARG A 33 8.601 13.304 4.760 1.00 0.00 C ATOM 489 O ARG A 33 9.209 12.372 5.249 1.00 0.00 O ATOM 490 CB ARG A 33 6.913 12.888 2.950 1.00 0.00 C ATOM 491 CG ARG A 33 6.348 13.663 1.754 1.00 0.00 C ATOM 492 CD ARG A 33 7.171 13.343 0.504 1.00 0.00 C ATOM 493 NE ARG A 33 6.480 13.891 -0.699 1.00 0.00 N ATOM 494 CZ ARG A 33 5.669 13.135 -1.391 1.00 0.00 C ATOM 495 NH1 ARG A 33 4.603 12.635 -0.828 1.00 0.00 N ATOM 496 NH2 ARG A 33 5.926 12.880 -2.645 1.00 0.00 N ATOM 0 H ARG A 33 8.988 11.504 2.426 1.00 0.00 H new ATOM 0 HA ARG A 33 8.466 14.387 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.913 11.819 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.278 13.037 3.824 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.304 13.395 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.374 14.734 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.168 13.774 0.592 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.297 12.265 0.405 1.00 0.00 H new ATOM 0 HE ARG A 33 6.641 14.858 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.403 12.834 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 33 3.970 12.045 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.759 13.271 -3.084 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.293 12.290 -3.185 1.00 0.00 H new ATOM 510 N PRO A 34 8.139 14.289 5.496 1.00 0.00 N ATOM 511 CA PRO A 34 8.339 14.304 6.969 1.00 0.00 C ATOM 512 C PRO A 34 7.995 12.952 7.594 1.00 0.00 C ATOM 513 O PRO A 34 6.905 12.738 8.089 1.00 0.00 O ATOM 514 CB PRO A 34 7.379 15.416 7.420 1.00 0.00 C ATOM 515 CG PRO A 34 6.690 16.001 6.177 1.00 0.00 C ATOM 516 CD PRO A 34 7.386 15.439 4.932 1.00 0.00 C ATOM 0 HA PRO A 34 9.371 14.483 7.271 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.637 15.018 8.112 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.925 16.195 7.952 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.632 15.740 6.171 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.750 17.089 6.187 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.671 15.126 4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.046 16.171 4.467 1.00 0.00 H new ATOM 524 N SER A 35 8.917 12.034 7.553 1.00 0.00 N ATOM 525 CA SER A 35 8.661 10.687 8.119 1.00 0.00 C ATOM 526 C SER A 35 7.573 10.001 7.298 1.00 0.00 C ATOM 527 O SER A 35 6.979 9.029 7.723 1.00 0.00 O ATOM 528 CB SER A 35 8.215 10.812 9.578 1.00 0.00 C ATOM 529 OG SER A 35 8.527 9.610 10.269 1.00 0.00 O ATOM 0 H SER A 35 9.844 12.162 7.148 1.00 0.00 H new ATOM 0 HA SER A 35 9.575 10.094 8.082 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.714 11.657 10.052 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.144 11.006 9.627 1.00 0.00 H new ATOM 0 HG SER A 35 8.171 8.845 9.771 1.00 0.00 H new ATOM 535 N GLY A 36 7.302 10.500 6.124 1.00 0.00 N ATOM 536 CA GLY A 36 6.248 9.871 5.282 1.00 0.00 C ATOM 537 C GLY A 36 6.735 8.518 4.754 1.00 0.00 C ATOM 538 O GLY A 36 7.817 8.068 5.067 1.00 0.00 O ATOM 0 H GLY A 36 7.763 11.312 5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.337 9.736 5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.998 10.527 4.448 1.00 0.00 H new ATOM 542 N ASN A 37 5.930 7.873 3.953 1.00 0.00 N ATOM 543 CA ASN A 37 6.303 6.543 3.379 1.00 0.00 C ATOM 544 C ASN A 37 5.020 5.866 2.876 1.00 0.00 C ATOM 545 O ASN A 37 3.968 6.029 3.464 1.00 0.00 O ATOM 546 CB ASN A 37 6.960 5.665 4.459 1.00 0.00 C ATOM 547 CG ASN A 37 8.480 5.655 4.272 1.00 0.00 C ATOM 548 OD1 ASN A 37 8.996 4.981 3.282 1.00 0.00 O flip ATOM 549 ND2 ASN A 37 9.205 6.259 5.039 1.00 0.00 N flip ATOM 0 H ASN A 37 5.013 8.216 3.666 1.00 0.00 H new ATOM 0 HA ASN A 37 7.012 6.675 2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.710 6.044 5.450 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.571 4.648 4.399 1.00 0.00 H new ATOM 0 HD21 ASN A 37 8.802 6.786 5.813 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.216 6.238 4.908 1.00 0.00 H new ATOM 556 N LEU A 38 5.091 5.131 1.787 1.00 0.00 N ATOM 557 CA LEU A 38 3.870 4.457 1.246 1.00 0.00 C ATOM 558 C LEU A 38 2.829 4.255 2.358 1.00 0.00 C ATOM 559 O LEU A 38 3.151 3.892 3.470 1.00 0.00 O ATOM 560 CB LEU A 38 4.264 3.102 0.657 1.00 0.00 C ATOM 561 CG LEU A 38 4.971 3.312 -0.683 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.722 2.040 -1.082 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.939 3.643 -1.758 1.00 0.00 C ATOM 0 H LEU A 38 5.944 4.971 1.252 1.00 0.00 H new ATOM 0 HA LEU A 38 3.431 5.085 0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.920 2.571 1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.378 2.482 0.519 1.00 0.00 H new ATOM 0 HG LEU A 38 5.679 4.135 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.223 2.198 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.463 1.800 -0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.016 1.215 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.443 3.793 -2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.230 2.820 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.406 4.553 -1.483 1.00 0.00 H new ATOM 575 N VAL A 39 1.587 4.508 2.055 1.00 0.00 N ATOM 576 CA VAL A 39 0.500 4.366 3.069 1.00 0.00 C ATOM 577 C VAL A 39 0.729 3.148 3.970 1.00 0.00 C ATOM 578 O VAL A 39 1.291 2.149 3.566 1.00 0.00 O ATOM 579 CB VAL A 39 -0.835 4.216 2.342 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.700 3.167 1.237 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.922 3.775 3.328 1.00 0.00 C ATOM 0 H VAL A 39 1.272 4.812 1.134 1.00 0.00 H new ATOM 0 HA VAL A 39 0.496 5.255 3.700 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.112 5.176 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.653 3.060 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.066 3.482 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.417 2.210 1.676 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.870 3.671 2.801 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.645 2.818 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.024 4.522 4.115 1.00 0.00 H new ATOM 591 N SER A 40 0.277 3.238 5.196 1.00 0.00 N ATOM 592 CA SER A 40 0.433 2.106 6.163 1.00 0.00 C ATOM 593 C SER A 40 -0.937 1.450 6.400 1.00 0.00 C ATOM 594 O SER A 40 -1.940 1.894 5.875 1.00 0.00 O ATOM 595 CB SER A 40 0.970 2.654 7.487 1.00 0.00 C ATOM 596 OG SER A 40 0.287 2.035 8.568 1.00 0.00 O ATOM 0 H SER A 40 -0.199 4.057 5.573 1.00 0.00 H new ATOM 0 HA SER A 40 1.126 1.367 5.761 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.041 2.465 7.563 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.833 3.735 7.528 1.00 0.00 H new ATOM 0 HG SER A 40 0.632 2.385 9.416 1.00 0.00 H new ATOM 602 N VAL A 41 -0.995 0.403 7.186 1.00 0.00 N ATOM 603 CA VAL A 41 -2.309 -0.263 7.448 1.00 0.00 C ATOM 604 C VAL A 41 -2.178 -1.198 8.661 1.00 0.00 C ATOM 605 O VAL A 41 -1.921 -2.376 8.520 1.00 0.00 O ATOM 606 CB VAL A 41 -2.758 -1.080 6.209 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.092 -0.546 5.691 1.00 0.00 C ATOM 608 CG2 VAL A 41 -1.720 -0.979 5.082 1.00 0.00 C ATOM 0 H VAL A 41 -0.193 -0.018 7.656 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.057 0.503 7.653 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.860 -2.122 6.512 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.402 -1.124 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.847 -0.633 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.980 0.501 5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.057 -1.560 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.601 0.064 4.790 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.764 -1.369 5.432 1.00 0.00 H new ATOM 618 N LEU A 42 -2.350 -0.681 9.856 1.00 0.00 N ATOM 619 CA LEU A 42 -2.232 -1.546 11.074 1.00 0.00 C ATOM 620 C LEU A 42 -3.577 -1.640 11.796 1.00 0.00 C ATOM 621 O LEU A 42 -3.647 -2.087 12.925 1.00 0.00 O ATOM 622 CB LEU A 42 -1.196 -0.958 12.032 1.00 0.00 C ATOM 623 CG LEU A 42 0.201 -1.120 11.436 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.172 -0.181 12.158 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.678 -2.569 11.598 1.00 0.00 C ATOM 0 H LEU A 42 -2.566 0.299 10.040 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.922 -2.542 10.758 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.407 0.097 12.209 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.251 -1.461 12.997 1.00 0.00 H new ATOM 0 HG LEU A 42 0.168 -0.873 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.170 -0.294 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.840 0.850 12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.197 -0.430 13.219 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.675 -2.674 11.170 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.709 -2.826 12.657 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.011 -3.239 11.082 1.00 0.00 H new ATOM 637 N SER A 43 -4.648 -1.227 11.173 1.00 0.00 N ATOM 638 CA SER A 43 -5.975 -1.303 11.854 1.00 0.00 C ATOM 639 C SER A 43 -7.040 -1.778 10.864 1.00 0.00 C ATOM 640 O SER A 43 -6.976 -1.499 9.685 1.00 0.00 O ATOM 641 CB SER A 43 -6.354 0.080 12.382 1.00 0.00 C ATOM 642 OG SER A 43 -7.433 -0.048 13.299 1.00 0.00 O ATOM 0 H SER A 43 -4.663 -0.843 10.228 1.00 0.00 H new ATOM 0 HA SER A 43 -5.914 -2.009 12.682 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.497 0.542 12.873 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.639 0.732 11.556 1.00 0.00 H new ATOM 0 HG SER A 43 -7.678 0.837 13.641 1.00 0.00 H new ATOM 648 N GLY A 44 -8.025 -2.489 11.342 1.00 0.00 N ATOM 649 CA GLY A 44 -9.101 -2.977 10.435 1.00 0.00 C ATOM 650 C GLY A 44 -9.862 -1.776 9.878 1.00 0.00 C ATOM 651 O GLY A 44 -10.480 -1.847 8.834 1.00 0.00 O ATOM 0 H GLY A 44 -8.130 -2.753 12.322 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.672 -3.561 9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.780 -3.635 10.976 1.00 0.00 H new ATOM 655 N ALA A 45 -9.818 -0.671 10.568 1.00 0.00 N ATOM 656 CA ALA A 45 -10.533 0.543 10.082 1.00 0.00 C ATOM 657 C ALA A 45 -9.634 1.297 9.103 1.00 0.00 C ATOM 658 O ALA A 45 -10.103 1.949 8.194 1.00 0.00 O ATOM 659 CB ALA A 45 -10.862 1.447 11.271 1.00 0.00 C ATOM 0 H ALA A 45 -9.317 -0.555 11.449 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.456 0.251 9.581 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.385 2.336 10.918 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.497 0.907 11.974 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.939 1.743 11.769 1.00 0.00 H new ATOM 665 N GLU A 46 -8.343 1.213 9.281 1.00 0.00 N ATOM 666 CA GLU A 46 -7.415 1.926 8.360 1.00 0.00 C ATOM 667 C GLU A 46 -7.409 1.228 6.999 1.00 0.00 C ATOM 668 O GLU A 46 -7.364 1.862 5.966 1.00 0.00 O ATOM 669 CB GLU A 46 -6.001 1.912 8.945 1.00 0.00 C ATOM 670 CG GLU A 46 -5.058 2.692 8.027 1.00 0.00 C ATOM 671 CD GLU A 46 -3.733 2.944 8.748 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.763 3.114 9.956 1.00 0.00 O ATOM 673 OE2 GLU A 46 -2.712 2.963 8.082 1.00 0.00 O ATOM 0 H GLU A 46 -7.892 0.681 10.025 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.748 2.957 8.239 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.004 2.355 9.941 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.652 0.885 9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.883 2.132 7.108 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.514 3.640 7.741 1.00 0.00 H new ATOM 680 N GLY A 47 -7.459 -0.076 6.988 1.00 0.00 N ATOM 681 CA GLY A 47 -7.461 -0.804 5.687 1.00 0.00 C ATOM 682 C GLY A 47 -8.755 -0.489 4.940 1.00 0.00 C ATOM 683 O GLY A 47 -8.791 -0.442 3.727 1.00 0.00 O ATOM 0 H GLY A 47 -7.498 -0.666 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.600 -0.507 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.377 -1.877 5.857 1.00 0.00 H new ATOM 687 N SER A 48 -9.818 -0.260 5.660 1.00 0.00 N ATOM 688 CA SER A 48 -11.111 0.069 5.000 1.00 0.00 C ATOM 689 C SER A 48 -11.131 1.560 4.668 1.00 0.00 C ATOM 690 O SER A 48 -11.716 1.983 3.690 1.00 0.00 O ATOM 691 CB SER A 48 -12.262 -0.260 5.949 1.00 0.00 C ATOM 692 OG SER A 48 -12.157 -1.616 6.365 1.00 0.00 O ATOM 0 H SER A 48 -9.846 -0.287 6.679 1.00 0.00 H new ATOM 0 HA SER A 48 -11.221 -0.514 4.085 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.234 0.401 6.815 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.217 -0.093 5.451 1.00 0.00 H new ATOM 0 HG SER A 48 -11.604 -1.669 7.172 1.00 0.00 H new ATOM 698 N PHE A 49 -10.489 2.359 5.476 1.00 0.00 N ATOM 699 CA PHE A 49 -10.459 3.823 5.213 1.00 0.00 C ATOM 700 C PHE A 49 -9.592 4.094 3.983 1.00 0.00 C ATOM 701 O PHE A 49 -9.939 4.885 3.129 1.00 0.00 O ATOM 702 CB PHE A 49 -9.870 4.547 6.428 1.00 0.00 C ATOM 703 CG PHE A 49 -10.258 6.007 6.390 1.00 0.00 C ATOM 704 CD1 PHE A 49 -11.505 6.411 6.882 1.00 0.00 C ATOM 705 CD2 PHE A 49 -9.374 6.954 5.861 1.00 0.00 C ATOM 706 CE1 PHE A 49 -11.866 7.764 6.847 1.00 0.00 C ATOM 707 CE2 PHE A 49 -9.735 8.306 5.826 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.982 8.710 6.319 1.00 0.00 C ATOM 0 H PHE A 49 -9.983 2.058 6.309 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.471 4.186 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.233 4.088 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.784 4.449 6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -12.188 5.680 7.288 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -8.413 6.642 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -12.827 8.076 7.228 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.052 9.037 5.419 1.00 0.00 H new ATOM 0 HZ PHE A 49 -11.261 9.753 6.291 1.00 0.00 H new ATOM 718 N VAL A 50 -8.468 3.437 3.880 1.00 0.00 N ATOM 719 CA VAL A 50 -7.587 3.655 2.699 1.00 0.00 C ATOM 720 C VAL A 50 -8.322 3.187 1.445 1.00 0.00 C ATOM 721 O VAL A 50 -8.301 3.842 0.420 1.00 0.00 O ATOM 722 CB VAL A 50 -6.287 2.859 2.861 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.325 3.218 1.725 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.633 3.197 4.213 1.00 0.00 C ATOM 0 H VAL A 50 -8.123 2.761 4.561 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.342 4.714 2.615 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.512 1.793 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.400 2.653 1.839 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.785 2.972 0.768 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.104 4.285 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.710 2.628 4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.410 4.263 4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.316 2.939 5.022 1.00 0.00 H new ATOM 734 N SER A 51 -8.980 2.062 1.518 1.00 0.00 N ATOM 735 CA SER A 51 -9.723 1.561 0.331 1.00 0.00 C ATOM 736 C SER A 51 -10.702 2.642 -0.135 1.00 0.00 C ATOM 737 O SER A 51 -10.912 2.835 -1.314 1.00 0.00 O ATOM 738 CB SER A 51 -10.501 0.300 0.711 1.00 0.00 C ATOM 739 OG SER A 51 -11.553 0.097 -0.224 1.00 0.00 O ATOM 0 H SER A 51 -9.034 1.471 2.347 1.00 0.00 H new ATOM 0 HA SER A 51 -9.023 1.325 -0.470 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.835 -0.563 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.908 0.399 1.717 1.00 0.00 H new ATOM 0 HG SER A 51 -11.557 -0.839 -0.514 1.00 0.00 H new ATOM 745 N SER A 52 -11.295 3.349 0.788 1.00 0.00 N ATOM 746 CA SER A 52 -12.256 4.421 0.407 1.00 0.00 C ATOM 747 C SER A 52 -11.488 5.614 -0.164 1.00 0.00 C ATOM 748 O SER A 52 -12.023 6.410 -0.911 1.00 0.00 O ATOM 749 CB SER A 52 -13.042 4.863 1.642 1.00 0.00 C ATOM 750 OG SER A 52 -12.155 5.483 2.564 1.00 0.00 O ATOM 0 H SER A 52 -11.155 3.230 1.791 1.00 0.00 H new ATOM 0 HA SER A 52 -12.947 4.040 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.832 5.558 1.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.526 4.004 2.106 1.00 0.00 H new ATOM 0 HG SER A 52 -11.341 4.944 2.647 1.00 0.00 H new ATOM 756 N LEU A 53 -10.237 5.745 0.182 1.00 0.00 N ATOM 757 CA LEU A 53 -9.430 6.885 -0.336 1.00 0.00 C ATOM 758 C LEU A 53 -8.984 6.573 -1.765 1.00 0.00 C ATOM 759 O LEU A 53 -8.692 7.462 -2.540 1.00 0.00 O ATOM 760 CB LEU A 53 -8.203 7.074 0.572 1.00 0.00 C ATOM 761 CG LEU A 53 -7.099 7.858 -0.154 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.579 9.283 -0.446 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.857 7.925 0.738 1.00 0.00 C ATOM 0 H LEU A 53 -9.737 5.109 0.804 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.022 7.800 -0.340 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.495 7.604 1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.821 6.101 0.881 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.860 7.355 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.792 9.834 -0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.468 9.246 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.820 9.785 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.071 8.481 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.107 8.427 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.507 6.915 0.951 1.00 0.00 H new ATOM 775 N VAL A 54 -8.912 5.316 -2.112 1.00 0.00 N ATOM 776 CA VAL A 54 -8.461 4.941 -3.482 1.00 0.00 C ATOM 777 C VAL A 54 -9.550 4.136 -4.199 1.00 0.00 C ATOM 778 O VAL A 54 -9.293 3.473 -5.183 1.00 0.00 O ATOM 779 CB VAL A 54 -7.178 4.116 -3.371 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.136 4.920 -2.593 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.458 2.809 -2.625 1.00 0.00 C ATOM 0 H VAL A 54 -9.147 4.531 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.268 5.843 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.810 3.887 -4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.217 4.340 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.929 5.852 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.518 5.142 -1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.539 2.228 -2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.827 3.033 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.208 2.234 -3.168 1.00 0.00 H new ATOM 791 N LYS A 55 -10.764 4.188 -3.720 1.00 0.00 N ATOM 792 CA LYS A 55 -11.860 3.426 -4.389 1.00 0.00 C ATOM 793 C LYS A 55 -12.191 4.091 -5.730 1.00 0.00 C ATOM 794 O LYS A 55 -12.636 3.448 -6.661 1.00 0.00 O ATOM 795 CB LYS A 55 -13.107 3.423 -3.489 1.00 0.00 C ATOM 796 CG LYS A 55 -13.407 1.996 -3.019 1.00 0.00 C ATOM 797 CD LYS A 55 -14.663 2.000 -2.146 1.00 0.00 C ATOM 798 CE LYS A 55 -14.765 0.672 -1.391 1.00 0.00 C ATOM 799 NZ LYS A 55 -14.624 -0.458 -2.351 1.00 0.00 N ATOM 0 H LYS A 55 -11.044 4.723 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.541 2.398 -4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.947 4.073 -2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.961 3.823 -4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.551 1.341 -3.879 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.561 1.602 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.625 2.830 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.548 2.148 -2.765 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.988 0.614 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.723 0.607 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.269 -1.227 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.860 -0.131 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -13.644 -0.806 -2.336 1.00 0.00 H new ATOM 896 N SER A 62 -6.535 -0.401 -11.517 1.00 0.00 N ATOM 897 CA SER A 62 -7.333 -1.251 -10.582 1.00 0.00 C ATOM 898 C SER A 62 -6.530 -1.532 -9.312 1.00 0.00 C ATOM 899 O SER A 62 -7.082 -1.653 -8.240 1.00 0.00 O ATOM 900 CB SER A 62 -7.672 -2.573 -11.279 1.00 0.00 C ATOM 901 OG SER A 62 -8.994 -2.503 -11.795 1.00 0.00 O ATOM 0 HA SER A 62 -8.250 -0.728 -10.309 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.964 -2.765 -12.085 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.587 -3.401 -10.576 1.00 0.00 H new ATOM 0 HG SER A 62 -9.215 -3.346 -12.243 1.00 0.00 H new ATOM 907 N TYR A 63 -5.235 -1.649 -9.416 1.00 0.00 N ATOM 908 CA TYR A 63 -4.426 -1.943 -8.196 1.00 0.00 C ATOM 909 C TYR A 63 -3.722 -0.678 -7.705 1.00 0.00 C ATOM 910 O TYR A 63 -3.621 0.307 -8.407 1.00 0.00 O ATOM 911 CB TYR A 63 -3.397 -3.025 -8.518 1.00 0.00 C ATOM 912 CG TYR A 63 -4.088 -4.367 -8.583 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.040 -4.617 -9.580 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.781 -5.361 -7.646 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.681 -5.860 -9.638 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.423 -6.604 -7.706 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.372 -6.853 -8.702 1.00 0.00 C ATOM 918 OH TYR A 63 -6.006 -8.077 -8.761 1.00 0.00 O ATOM 0 H TYR A 63 -4.705 -1.555 -10.282 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.088 -2.296 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -2.909 -2.808 -9.468 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.618 -3.041 -7.756 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.279 -3.851 -10.303 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.048 -5.169 -6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.415 -6.053 -10.406 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.185 -7.370 -6.983 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.659 -8.143 -8.033 1.00 0.00 H new ATOM 928 N VAL A 64 -3.250 -0.703 -6.484 1.00 0.00 N ATOM 929 CA VAL A 64 -2.567 0.493 -5.910 1.00 0.00 C ATOM 930 C VAL A 64 -1.371 0.032 -5.063 1.00 0.00 C ATOM 931 O VAL A 64 -1.428 -0.978 -4.396 1.00 0.00 O ATOM 932 CB VAL A 64 -3.583 1.242 -5.037 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.956 2.489 -4.416 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.779 1.653 -5.899 1.00 0.00 C ATOM 0 H VAL A 64 -3.310 -1.506 -5.858 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.201 1.151 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.905 0.581 -4.233 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.697 3.002 -3.802 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.108 2.199 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.615 3.157 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.505 2.186 -5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.440 2.303 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.246 0.763 -6.322 1.00 0.00 H new ATOM 944 N TRP A 65 -0.284 0.757 -5.092 1.00 0.00 N ATOM 945 CA TRP A 65 0.909 0.340 -4.291 1.00 0.00 C ATOM 946 C TRP A 65 0.749 0.802 -2.839 1.00 0.00 C ATOM 947 O TRP A 65 0.204 1.854 -2.570 1.00 0.00 O ATOM 948 CB TRP A 65 2.178 1.005 -4.856 1.00 0.00 C ATOM 949 CG TRP A 65 2.970 0.082 -5.737 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.621 0.490 -6.848 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.237 -1.352 -5.614 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.265 -0.586 -7.418 1.00 0.00 N ATOM 953 CE2 TRP A 65 4.055 -1.745 -6.702 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.857 -2.345 -4.688 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.476 -3.061 -6.867 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.282 -3.673 -4.854 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.088 -4.029 -5.942 1.00 0.00 C ATOM 0 H TRP A 65 -0.169 1.615 -5.631 1.00 0.00 H new ATOM 0 HA TRP A 65 0.992 -0.746 -4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.897 1.892 -5.424 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.806 1.341 -4.031 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.634 1.500 -7.229 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.829 -0.532 -8.266 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.235 -2.082 -3.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.100 -3.331 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.985 -4.425 -4.138 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.409 -5.053 -6.065 1.00 0.00 H new ATOM 968 N ILE A 66 1.268 0.049 -1.902 1.00 0.00 N ATOM 969 CA ILE A 66 1.198 0.471 -0.476 1.00 0.00 C ATOM 970 C ILE A 66 2.565 0.195 0.161 1.00 0.00 C ATOM 971 O ILE A 66 3.469 -0.290 -0.490 1.00 0.00 O ATOM 972 CB ILE A 66 0.111 -0.309 0.276 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.229 -1.802 -0.047 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.283 0.205 -0.131 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.853 -2.575 0.715 1.00 0.00 C ATOM 0 H ILE A 66 1.738 -0.841 -2.067 1.00 0.00 H new ATOM 0 HA ILE A 66 0.947 1.530 -0.419 1.00 0.00 H new ATOM 0 HB ILE A 66 0.244 -0.162 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.119 -1.963 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.217 -2.168 0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.048 -0.354 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.367 1.264 0.115 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.422 0.070 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.770 -3.638 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.722 -2.423 1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.837 -2.215 0.415 1.00 0.00 H new ATOM 987 N GLY A 67 2.736 0.517 1.411 1.00 0.00 N ATOM 988 CA GLY A 67 4.051 0.295 2.064 1.00 0.00 C ATOM 989 C GLY A 67 4.126 -1.100 2.671 1.00 0.00 C ATOM 990 O GLY A 67 4.313 -1.252 3.854 1.00 0.00 O ATOM 0 H GLY A 67 2.018 0.926 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.850 0.422 1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.207 1.043 2.841 1.00 0.00 H new ATOM 994 N LEU A 68 4.001 -2.117 1.870 1.00 0.00 N ATOM 995 CA LEU A 68 4.103 -3.507 2.405 1.00 0.00 C ATOM 996 C LEU A 68 5.067 -4.300 1.521 1.00 0.00 C ATOM 997 O LEU A 68 4.958 -4.294 0.311 1.00 0.00 O ATOM 998 CB LEU A 68 2.728 -4.180 2.401 1.00 0.00 C ATOM 999 CG LEU A 68 2.639 -5.221 3.533 1.00 0.00 C ATOM 1000 CD1 LEU A 68 3.878 -6.122 3.530 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.539 -4.521 4.894 1.00 0.00 C ATOM 0 H LEU A 68 3.832 -2.050 0.866 1.00 0.00 H new ATOM 0 HA LEU A 68 4.470 -3.478 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.948 -3.429 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.555 -4.663 1.439 1.00 0.00 H new ATOM 0 HG LEU A 68 1.748 -5.826 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.799 -6.852 4.336 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.947 -6.642 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.770 -5.514 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.477 -5.269 5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.422 -3.901 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.647 -3.895 4.916 1.00 0.00 H new ATOM 1013 N HIS A 69 6.013 -4.984 2.110 1.00 0.00 N ATOM 1014 CA HIS A 69 6.978 -5.773 1.293 1.00 0.00 C ATOM 1015 C HIS A 69 7.325 -7.069 2.012 1.00 0.00 C ATOM 1016 O HIS A 69 6.852 -7.343 3.093 1.00 0.00 O ATOM 1017 CB HIS A 69 8.255 -4.962 1.070 1.00 0.00 C ATOM 1018 CG HIS A 69 8.998 -4.854 2.370 1.00 0.00 C ATOM 1019 ND1 HIS A 69 8.694 -4.208 3.534 1.00 0.00 N flip ATOM 1020 CD2 HIS A 69 10.209 -5.487 2.592 1.00 0.00 C flip ATOM 1021 CE1 HIS A 69 9.694 -4.431 4.474 1.00 0.00 C flip ATOM 1022 NE2 HIS A 69 10.583 -5.211 3.855 1.00 0.00 N flip ATOM 0 H HIS A 69 6.158 -5.030 3.119 1.00 0.00 H new ATOM 0 HA HIS A 69 6.521 -6.002 0.331 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.880 -5.443 0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 69 8.010 -3.969 0.693 1.00 0.00 H new ATOM 0 HD1 HIS A 69 7.858 -3.645 3.691 1.00 0.00 H new ATOM 0 HD2 HIS A 69 10.754 -6.091 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.741 -4.055 5.485 1.00 0.00 H new ATOM 1180 N TRP A 82 6.086 -10.341 5.500 1.00 0.00 N ATOM 1181 CA TRP A 82 5.228 -9.169 5.141 1.00 0.00 C ATOM 1182 C TRP A 82 5.339 -8.074 6.211 1.00 0.00 C ATOM 1183 O TRP A 82 4.639 -8.098 7.204 1.00 0.00 O ATOM 1184 CB TRP A 82 3.762 -9.619 5.012 1.00 0.00 C ATOM 1185 CG TRP A 82 3.582 -10.962 5.648 1.00 0.00 C ATOM 1186 CD1 TRP A 82 4.144 -12.113 5.208 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.798 -11.314 6.824 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.757 -13.146 6.042 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.925 -12.705 7.052 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.996 -10.569 7.707 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 2.282 -13.335 8.118 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 1.346 -11.200 8.782 1.00 0.00 C ATOM 1193 CH2 TRP A 82 1.488 -12.580 8.985 1.00 0.00 C ATOM 0 HA TRP A 82 5.571 -8.764 4.189 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.106 -8.891 5.489 1.00 0.00 H new ATOM 0 HB3 TRP A 82 3.478 -9.664 3.961 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.789 -12.208 4.347 1.00 0.00 H new ATOM 0 HE1 TRP A 82 4.050 -14.116 5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.879 -9.506 7.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.397 -14.398 8.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.734 -10.618 9.455 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.984 -13.059 9.811 1.00 0.00 H new ATOM 1204 N GLU A 83 6.199 -7.105 6.011 1.00 0.00 N ATOM 1205 CA GLU A 83 6.337 -6.005 7.015 1.00 0.00 C ATOM 1206 C GLU A 83 5.976 -4.677 6.348 1.00 0.00 C ATOM 1207 O GLU A 83 6.284 -4.450 5.196 1.00 0.00 O ATOM 1208 CB GLU A 83 7.783 -5.949 7.522 1.00 0.00 C ATOM 1209 CG GLU A 83 8.024 -4.628 8.257 1.00 0.00 C ATOM 1210 CD GLU A 83 9.301 -4.732 9.092 1.00 0.00 C ATOM 1211 OE1 GLU A 83 10.061 -5.658 8.864 1.00 0.00 O ATOM 1212 OE2 GLU A 83 9.499 -3.883 9.946 1.00 0.00 O ATOM 0 H GLU A 83 6.810 -7.029 5.198 1.00 0.00 H new ATOM 0 HA GLU A 83 5.670 -6.189 7.857 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.976 -6.788 8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.475 -6.042 6.685 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.112 -3.812 7.540 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.175 -4.398 8.900 1.00 0.00 H new ATOM 1219 N TRP A 84 5.328 -3.796 7.058 1.00 0.00 N ATOM 1220 CA TRP A 84 4.958 -2.495 6.457 1.00 0.00 C ATOM 1221 C TRP A 84 6.173 -1.577 6.472 1.00 0.00 C ATOM 1222 O TRP A 84 6.812 -1.394 7.490 1.00 0.00 O ATOM 1223 CB TRP A 84 3.818 -1.852 7.257 1.00 0.00 C ATOM 1224 CG TRP A 84 3.106 -2.896 8.061 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.614 -3.521 9.146 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.769 -3.437 7.864 1.00 0.00 C ATOM 1227 NE1 TRP A 84 2.678 -4.421 9.621 1.00 0.00 N ATOM 1228 CE2 TRP A 84 1.524 -4.406 8.865 1.00 0.00 C ATOM 1229 CE3 TRP A 84 0.756 -3.189 6.922 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 0.316 -5.102 8.929 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.459 -3.889 6.982 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.678 -4.843 7.984 1.00 0.00 C ATOM 0 H TRP A 84 5.041 -3.925 8.028 1.00 0.00 H new ATOM 0 HA TRP A 84 4.625 -2.651 5.431 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.215 -1.081 7.917 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.118 -1.362 6.580 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.591 -3.346 9.572 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.823 -5.023 10.432 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.914 -2.454 6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 0.152 -5.836 9.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.229 -3.691 6.251 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.615 -5.378 8.025 1.00 0.00 H new ATOM 1243 N SER A 85 6.494 -0.992 5.360 1.00 0.00 N ATOM 1244 CA SER A 85 7.661 -0.081 5.317 1.00 0.00 C ATOM 1245 C SER A 85 7.224 1.293 5.801 1.00 0.00 C ATOM 1246 O SER A 85 7.996 2.231 5.831 1.00 0.00 O ATOM 1247 CB SER A 85 8.195 0.018 3.888 1.00 0.00 C ATOM 1248 OG SER A 85 7.167 0.504 3.035 1.00 0.00 O ATOM 0 H SER A 85 5.997 -1.106 4.476 1.00 0.00 H new ATOM 0 HA SER A 85 8.454 -0.466 5.958 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.056 0.685 3.855 1.00 0.00 H new ATOM 0 HB3 SER A 85 8.535 -0.959 3.546 1.00 0.00 H new ATOM 0 HG SER A 85 7.338 0.210 2.116 1.00 0.00 H new ATOM 1288 N VAL A 89 5.335 -3.267 12.527 1.00 0.00 N ATOM 1289 CA VAL A 89 5.353 -4.758 12.479 1.00 0.00 C ATOM 1290 C VAL A 89 3.968 -5.269 12.082 1.00 0.00 C ATOM 1291 O VAL A 89 3.019 -4.517 11.990 1.00 0.00 O ATOM 1292 CB VAL A 89 5.723 -5.301 13.863 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.620 -4.946 14.862 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.878 -6.825 13.796 1.00 0.00 C ATOM 0 HA VAL A 89 6.086 -5.095 11.746 1.00 0.00 H new ATOM 0 HB VAL A 89 6.665 -4.856 14.184 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.883 -5.332 15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.511 -3.863 14.914 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.679 -5.390 14.538 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.141 -7.208 14.782 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.938 -7.272 13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.665 -7.080 13.086 1.00 0.00 H new ATOM 1304 N MET A 90 3.848 -6.544 11.841 1.00 0.00 N ATOM 1305 CA MET A 90 2.529 -7.110 11.442 1.00 0.00 C ATOM 1306 C MET A 90 1.521 -6.957 12.582 1.00 0.00 C ATOM 1307 O MET A 90 1.333 -7.859 13.373 1.00 0.00 O ATOM 1308 CB MET A 90 2.691 -8.596 11.119 1.00 0.00 C ATOM 1309 CG MET A 90 3.732 -8.773 10.014 1.00 0.00 C ATOM 1310 SD MET A 90 4.176 -10.523 9.878 1.00 0.00 S ATOM 1311 CE MET A 90 5.017 -10.682 11.474 1.00 0.00 C ATOM 0 H MET A 90 4.608 -7.221 11.903 1.00 0.00 H new ATOM 0 HA MET A 90 2.166 -6.573 10.566 1.00 0.00 H new ATOM 0 HB2 MET A 90 2.998 -9.141 12.012 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.736 -9.015 10.803 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.335 -8.413 9.065 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.618 -8.178 10.236 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.808 -11.428 11.396 1.00 0.00 H new ATOM 0 HE2 MET A 90 5.451 -9.722 11.754 1.00 0.00 H new ATOM 0 HE3 MET A 90 4.300 -10.991 12.234 1.00 0.00 H new ATOM 1321 N ASN A 91 0.848 -5.838 12.659 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.168 -5.657 13.734 1.00 0.00 C ATOM 1323 C ASN A 91 -1.550 -5.806 13.104 1.00 0.00 C ATOM 1324 O ASN A 91 -2.562 -5.771 13.775 1.00 0.00 O ATOM 1325 CB ASN A 91 -0.028 -4.268 14.367 1.00 0.00 C ATOM 1326 CG ASN A 91 -0.616 -4.285 15.780 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -1.706 -3.800 16.004 1.00 0.00 O ATOM 1328 ND2 ASN A 91 0.066 -4.832 16.750 1.00 0.00 N ATOM 0 H ASN A 91 0.958 -5.046 12.026 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.024 -6.402 14.516 1.00 0.00 H new ATOM 0 HB2 ASN A 91 1.022 -3.978 14.403 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.543 -3.526 13.757 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.317 -4.852 17.695 1.00 0.00 H new ATOM 0 HD22 ASN A 91 0.982 -5.240 16.563 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.590 -5.982 11.808 1.00 0.00 N ATOM 1336 CA TYR A 92 -2.896 -6.147 11.114 1.00 0.00 C ATOM 1337 C TYR A 92 -2.734 -7.135 9.955 1.00 0.00 C ATOM 1338 O TYR A 92 -1.662 -7.277 9.398 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.370 -4.798 10.576 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.691 -4.966 9.858 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -5.789 -5.529 10.523 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -4.818 -4.561 8.522 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.009 -5.686 9.854 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.037 -4.718 7.855 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.133 -5.281 8.520 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.334 -5.437 7.860 1.00 0.00 O ATOM 0 H TYR A 92 -0.771 -6.018 11.202 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.634 -6.530 11.819 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.479 -4.088 11.396 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.625 -4.386 9.895 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.694 -5.842 11.552 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.973 -4.127 8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.854 -6.120 10.367 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.133 -4.405 6.826 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.249 -5.104 6.942 1.00 0.00 H new ATOM 1356 N PHE A 93 -3.783 -7.825 9.588 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.683 -8.808 8.465 1.00 0.00 C ATOM 1358 C PHE A 93 -4.888 -8.651 7.531 1.00 0.00 C ATOM 1359 O PHE A 93 -5.998 -8.415 7.966 1.00 0.00 O ATOM 1360 CB PHE A 93 -3.651 -10.233 9.035 1.00 0.00 C ATOM 1361 CG PHE A 93 -4.307 -10.252 10.396 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -5.701 -10.159 10.504 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -3.522 -10.359 11.551 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -6.307 -10.177 11.765 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -4.130 -10.376 12.812 1.00 0.00 C ATOM 1366 CZ PHE A 93 -5.523 -10.284 12.919 1.00 0.00 C ATOM 0 H PHE A 93 -4.705 -7.751 10.017 1.00 0.00 H new ATOM 0 HA PHE A 93 -2.768 -8.623 7.902 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.169 -10.916 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.621 -10.581 9.112 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -6.307 -10.073 9.614 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -2.447 -10.428 11.469 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -7.382 -10.108 11.848 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -3.524 -10.460 13.702 1.00 0.00 H new ATOM 0 HZ PHE A 93 -5.992 -10.296 13.892 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.678 -8.790 6.247 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.811 -8.657 5.283 1.00 0.00 C ATOM 1378 C ALA A 94 -5.337 -9.034 3.874 1.00 0.00 C ATOM 1379 O ALA A 94 -5.892 -8.596 2.885 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.322 -7.211 5.287 1.00 0.00 C ATOM 0 H ALA A 94 -3.771 -8.990 5.825 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.619 -9.326 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.149 -7.115 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.665 -6.949 6.288 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.516 -6.539 4.993 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.318 -9.842 3.776 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.812 -10.247 2.432 1.00 0.00 C ATOM 1388 C TRP A 95 -4.823 -11.190 1.770 1.00 0.00 C ATOM 1389 O TRP A 95 -5.601 -11.845 2.435 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.466 -10.964 2.588 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.439 -11.695 3.893 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -1.795 -11.274 5.006 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -3.072 -12.961 4.239 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -1.993 -12.201 6.014 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -2.773 -13.259 5.590 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.868 -13.872 3.520 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.245 -14.418 6.205 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -4.345 -15.039 4.137 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -4.035 -15.312 5.476 1.00 0.00 C ATOM 0 H TRP A 95 -3.813 -10.240 4.568 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.680 -9.362 1.810 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.316 -11.662 1.765 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.650 -10.242 2.546 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.221 -10.364 5.093 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.610 -12.114 6.955 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -4.113 -13.672 2.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.002 -14.624 7.237 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.955 -15.731 3.576 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.406 -16.212 5.944 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.816 -11.262 0.468 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.774 -12.163 -0.234 1.00 0.00 C ATOM 1412 C GLU A 96 -5.392 -13.620 0.034 1.00 0.00 C ATOM 1413 O GLU A 96 -6.203 -14.418 0.461 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.723 -11.888 -1.739 1.00 0.00 C ATOM 1415 CG GLU A 96 -6.967 -12.473 -2.411 1.00 0.00 C ATOM 1416 CD GLU A 96 -6.878 -12.259 -3.924 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -6.007 -11.518 -4.348 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -7.684 -12.841 -4.631 1.00 0.00 O ATOM 0 H GLU A 96 -4.189 -10.736 -0.141 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.784 -11.979 0.134 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.670 -10.815 -1.921 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.824 -12.329 -2.169 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.048 -13.537 -2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.864 -11.996 -2.018 1.00 0.00 H new ATOM 1564 N HIS A 107 7.860 -9.237 -3.982 1.00 0.00 N ATOM 1565 CA HIS A 107 8.315 -8.767 -2.641 1.00 0.00 C ATOM 1566 C HIS A 107 7.608 -7.453 -2.293 1.00 0.00 C ATOM 1567 O HIS A 107 8.120 -6.638 -1.551 1.00 0.00 O ATOM 1568 CB HIS A 107 9.832 -8.555 -2.658 1.00 0.00 C ATOM 1569 CG HIS A 107 10.470 -9.575 -3.559 1.00 0.00 C ATOM 1570 ND1 HIS A 107 11.495 -9.255 -4.431 1.00 0.00 N ATOM 1571 CD2 HIS A 107 10.240 -10.916 -3.735 1.00 0.00 C ATOM 1572 CE1 HIS A 107 11.835 -10.381 -5.083 1.00 0.00 C ATOM 1573 NE2 HIS A 107 11.101 -11.421 -4.697 1.00 0.00 N ATOM 0 HA HIS A 107 8.068 -9.517 -1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.066 -7.549 -3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.234 -8.644 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 107 9.498 -11.493 -3.203 1.00 0.00 H new ATOM 0 HE1 HIS A 107 12.612 -10.435 -5.831 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.159 -12.381 -5.035 1.00 0.00 H new ATOM 1581 N CYS A 108 6.431 -7.245 -2.822 1.00 0.00 N ATOM 1582 CA CYS A 108 5.683 -5.989 -2.522 1.00 0.00 C ATOM 1583 C CYS A 108 4.180 -6.266 -2.602 1.00 0.00 C ATOM 1584 O CYS A 108 3.745 -7.144 -3.319 1.00 0.00 O ATOM 1585 CB CYS A 108 6.068 -4.909 -3.531 1.00 0.00 C ATOM 1586 SG CYS A 108 7.702 -4.256 -3.116 1.00 0.00 S ATOM 0 H CYS A 108 5.955 -7.892 -3.450 1.00 0.00 H new ATOM 0 HA CYS A 108 5.934 -5.643 -1.519 1.00 0.00 H new ATOM 0 HB2 CYS A 108 6.075 -5.323 -4.539 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.330 -4.107 -3.521 1.00 0.00 H new ATOM 1591 N ALA A 109 3.384 -5.533 -1.864 1.00 0.00 N ATOM 1592 CA ALA A 109 1.906 -5.770 -1.891 1.00 0.00 C ATOM 1593 C ALA A 109 1.170 -4.518 -2.382 1.00 0.00 C ATOM 1594 O ALA A 109 1.588 -3.395 -2.161 1.00 0.00 O ATOM 1595 CB ALA A 109 1.422 -6.135 -0.483 1.00 0.00 C ATOM 0 H ALA A 109 3.692 -4.783 -1.245 1.00 0.00 H new ATOM 0 HA ALA A 109 1.693 -6.590 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.346 -6.308 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.929 -7.040 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.646 -5.318 0.202 1.00 0.00 H new ATOM 1601 N SER A 110 0.067 -4.723 -3.047 1.00 0.00 N ATOM 1602 CA SER A 110 -0.743 -3.590 -3.578 1.00 0.00 C ATOM 1603 C SER A 110 -2.222 -3.899 -3.339 1.00 0.00 C ATOM 1604 O SER A 110 -2.591 -5.026 -3.073 1.00 0.00 O ATOM 1605 CB SER A 110 -0.489 -3.441 -5.081 1.00 0.00 C ATOM 1606 OG SER A 110 -0.199 -4.718 -5.637 1.00 0.00 O ATOM 0 H SER A 110 -0.315 -5.647 -3.249 1.00 0.00 H new ATOM 0 HA SER A 110 -0.467 -2.663 -3.075 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.363 -3.009 -5.568 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.343 -2.758 -5.255 1.00 0.00 H new ATOM 0 HG SER A 110 -0.316 -4.686 -6.609 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.077 -2.921 -3.438 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.527 -3.183 -3.224 1.00 0.00 C ATOM 1614 C LEU A 111 -5.131 -3.648 -4.549 1.00 0.00 C ATOM 1615 O LEU A 111 -4.669 -3.282 -5.607 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.221 -1.894 -2.764 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.655 -1.442 -1.403 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.295 0.045 -1.452 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.705 -1.657 -0.312 1.00 0.00 C ATOM 0 H LEU A 111 -2.836 -1.954 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.663 -3.948 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.075 -1.109 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.295 -2.060 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.763 -2.028 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.896 0.355 -0.486 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.545 0.212 -2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.187 0.628 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.302 -1.337 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.596 -1.074 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.966 -2.714 -0.262 1.00 0.00 H new ATOM 1631 N SER A 112 -6.146 -4.468 -4.500 1.00 0.00 N ATOM 1632 CA SER A 112 -6.773 -4.976 -5.760 1.00 0.00 C ATOM 1633 C SER A 112 -8.189 -4.413 -5.903 1.00 0.00 C ATOM 1634 O SER A 112 -9.046 -4.651 -5.076 1.00 0.00 O ATOM 1635 CB SER A 112 -6.848 -6.501 -5.700 1.00 0.00 C ATOM 1636 OG SER A 112 -7.296 -7.000 -6.954 1.00 0.00 O ATOM 0 H SER A 112 -6.572 -4.811 -3.639 1.00 0.00 H new ATOM 0 HA SER A 112 -6.172 -4.661 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.869 -6.915 -5.460 1.00 0.00 H new ATOM 0 HB3 SER A 112 -7.529 -6.812 -4.908 1.00 0.00 H new ATOM 0 HG SER A 112 -6.771 -6.592 -7.675 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.446 -3.674 -6.950 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.816 -3.110 -7.136 1.00 0.00 C ATOM 1644 C ARG A 113 -10.835 -4.253 -7.175 1.00 0.00 C ATOM 1645 O ARG A 113 -11.941 -4.127 -6.688 1.00 0.00 O ATOM 1646 CB ARG A 113 -9.875 -2.326 -8.454 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.331 -2.009 -8.810 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.366 -1.002 -9.962 1.00 0.00 C ATOM 1649 NE ARG A 113 -12.780 -0.635 -10.259 1.00 0.00 N ATOM 1650 CZ ARG A 113 -13.370 0.304 -9.571 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -12.749 1.426 -9.334 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -14.582 0.121 -9.123 1.00 0.00 N ATOM 0 H ARG A 113 -7.773 -3.438 -7.679 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.049 -2.441 -6.307 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.305 -1.402 -8.363 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.415 -2.907 -9.253 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -11.854 -2.922 -9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -11.849 -1.602 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -10.796 -0.111 -9.698 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -10.897 -1.430 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 113 -13.287 -1.118 -11.001 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.803 1.569 -9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.210 2.160 -8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -15.068 -0.756 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -15.043 0.855 -8.585 1.00 0.00 H new ATOM 1666 N SER A 114 -10.473 -5.364 -7.754 1.00 0.00 N ATOM 1667 CA SER A 114 -11.422 -6.513 -7.830 1.00 0.00 C ATOM 1668 C SER A 114 -11.888 -6.893 -6.423 1.00 0.00 C ATOM 1669 O SER A 114 -12.991 -7.365 -6.232 1.00 0.00 O ATOM 1670 CB SER A 114 -10.720 -7.709 -8.474 1.00 0.00 C ATOM 1671 OG SER A 114 -9.858 -8.316 -7.521 1.00 0.00 O ATOM 0 H SER A 114 -9.560 -5.527 -8.179 1.00 0.00 H new ATOM 0 HA SER A 114 -12.286 -6.228 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.456 -8.431 -8.827 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.149 -7.385 -9.344 1.00 0.00 H new ATOM 0 HG SER A 114 -9.043 -7.779 -7.428 1.00 0.00 H new ATOM 1677 N THR A 115 -11.057 -6.695 -5.435 1.00 0.00 N ATOM 1678 CA THR A 115 -11.449 -7.047 -4.039 1.00 0.00 C ATOM 1679 C THR A 115 -11.873 -5.779 -3.294 1.00 0.00 C ATOM 1680 O THR A 115 -11.750 -5.686 -2.089 1.00 0.00 O ATOM 1681 CB THR A 115 -10.260 -7.686 -3.322 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.231 -6.719 -3.161 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.733 -8.860 -4.150 1.00 0.00 C ATOM 0 H THR A 115 -10.120 -6.303 -5.535 1.00 0.00 H new ATOM 0 HA THR A 115 -12.281 -7.751 -4.061 1.00 0.00 H new ATOM 0 HB THR A 115 -10.577 -8.047 -2.344 1.00 0.00 H new ATOM 0 HG1 THR A 115 -9.280 -6.065 -3.889 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.885 -9.315 -3.638 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.522 -9.601 -4.274 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.415 -8.501 -5.129 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.367 -4.805 -4.006 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.796 -3.540 -3.344 1.00 0.00 C ATOM 1693 C ALA A 116 -11.608 -2.927 -2.601 1.00 0.00 C ATOM 1694 O ALA A 116 -11.771 -2.202 -1.639 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.924 -3.837 -2.353 1.00 0.00 C ATOM 0 H ALA A 116 -12.493 -4.830 -5.018 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.154 -2.838 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.237 -2.911 -1.870 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.770 -4.273 -2.885 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.570 -4.539 -1.598 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.415 -3.210 -3.045 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.207 -2.649 -2.376 1.00 0.00 C ATOM 1703 C PHE A 117 -9.182 -3.089 -0.910 1.00 0.00 C ATOM 1704 O PHE A 117 -8.627 -2.418 -0.062 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.239 -1.119 -2.445 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.577 -0.679 -3.849 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.563 -0.551 -4.805 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -10.904 -0.394 -4.194 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -8.874 -0.139 -6.106 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.215 0.018 -5.495 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.200 0.146 -6.451 1.00 0.00 C ATOM 0 H PHE A 117 -10.223 -3.810 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.315 -3.016 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.977 -0.729 -1.744 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.272 -0.712 -2.149 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.540 -0.770 -4.539 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.687 -0.492 -3.457 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.091 -0.041 -6.843 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.238 0.237 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.440 0.465 -7.455 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.778 -4.210 -0.608 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.792 -4.698 0.802 1.00 0.00 C ATOM 1723 C LEU A 118 -8.839 -5.888 0.942 1.00 0.00 C ATOM 1724 O LEU A 118 -8.705 -6.464 2.003 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.211 -5.137 1.171 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.133 -3.916 1.256 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.563 -4.380 1.543 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.663 -2.978 2.379 1.00 0.00 C ATOM 0 H LEU A 118 -10.257 -4.811 -1.278 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.471 -3.897 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.589 -5.837 0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.201 -5.662 2.126 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.104 -3.378 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.221 -3.513 1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.900 -5.036 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.587 -4.921 2.489 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.325 -2.113 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.685 -3.510 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.646 -2.645 2.173 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.173 -6.257 -0.122 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.223 -7.408 -0.055 1.00 0.00 C ATOM 1742 C ARG A 119 -5.895 -7.001 -0.697 1.00 0.00 C ATOM 1743 O ARG A 119 -5.864 -6.306 -1.694 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.810 -8.600 -0.814 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.189 -8.949 -0.244 1.00 0.00 C ATOM 1746 CD ARG A 119 -9.035 -9.585 1.141 1.00 0.00 C ATOM 1747 NE ARG A 119 -10.286 -10.316 1.489 1.00 0.00 N ATOM 1748 CZ ARG A 119 -10.564 -10.577 2.737 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -10.940 -9.616 3.536 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -10.467 -11.797 3.188 1.00 0.00 N ATOM 0 H ARG A 119 -8.246 -5.810 -1.036 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.059 -7.687 0.986 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.894 -8.362 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.144 -9.459 -0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.802 -8.050 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.706 -9.636 -0.914 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -8.187 -10.269 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.830 -8.816 1.886 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.925 -10.612 0.751 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -11.016 -8.661 3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -11.157 -9.820 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.173 -12.549 2.565 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.685 -11.999 4.164 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.795 -7.423 -0.131 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.470 -7.052 -0.708 1.00 0.00 C ATOM 1766 C TRP A 120 -2.977 -8.160 -1.639 1.00 0.00 C ATOM 1767 O TRP A 120 -3.036 -9.330 -1.313 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.455 -6.866 0.421 1.00 0.00 C ATOM 1769 CG TRP A 120 -3.030 -5.985 1.479 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -3.661 -4.809 1.259 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.034 -6.190 2.919 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.053 -4.279 2.475 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.688 -5.094 3.529 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.537 -7.211 3.747 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -3.845 -5.016 4.914 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.693 -7.137 5.139 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.346 -6.043 5.721 1.00 0.00 C ATOM 0 H TRP A 120 -4.757 -8.007 0.704 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.577 -6.124 -1.270 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.189 -7.834 0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.538 -6.427 0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -3.831 -4.358 0.293 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -4.551 -3.395 2.581 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.031 -8.059 3.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.348 -4.170 5.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.308 -7.928 5.765 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.464 -5.993 6.793 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.476 -7.800 -2.793 1.00 0.00 N ATOM 1789 CA LYS A 121 -1.958 -8.824 -3.751 1.00 0.00 C ATOM 1790 C LYS A 121 -0.473 -8.579 -3.987 1.00 0.00 C ATOM 1791 O LYS A 121 -0.001 -7.461 -3.933 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.721 -8.724 -5.076 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.533 -10.018 -5.875 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.455 -10.005 -7.096 1.00 0.00 C ATOM 1795 CE LYS A 121 -3.528 -11.412 -7.695 1.00 0.00 C ATOM 1796 NZ LYS A 121 -2.159 -11.865 -8.068 1.00 0.00 N ATOM 0 H LYS A 121 -2.403 -6.835 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.101 -9.822 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.780 -8.553 -4.885 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.359 -7.873 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.494 -10.114 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.756 -10.881 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.451 -9.668 -6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.082 -9.301 -7.839 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -3.968 -12.103 -6.975 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -4.174 -11.412 -8.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.225 -12.702 -8.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.667 -11.102 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -1.627 -12.108 -7.208 1.00 0.00 H new ATOM 1810 N ASP A 122 0.272 -9.618 -4.234 1.00 0.00 N ATOM 1811 CA ASP A 122 1.731 -9.445 -4.454 1.00 0.00 C ATOM 1812 C ASP A 122 1.987 -8.858 -5.845 1.00 0.00 C ATOM 1813 O ASP A 122 1.232 -9.079 -6.771 1.00 0.00 O ATOM 1814 CB ASP A 122 2.430 -10.800 -4.333 1.00 0.00 C ATOM 1815 CG ASP A 122 2.335 -11.297 -2.890 1.00 0.00 C ATOM 1816 OD1 ASP A 122 1.377 -10.939 -2.224 1.00 0.00 O ATOM 1817 OD2 ASP A 122 3.221 -12.024 -2.473 1.00 0.00 O ATOM 0 H ASP A 122 -0.067 -10.578 -4.293 1.00 0.00 H new ATOM 0 HA ASP A 122 2.126 -8.762 -3.702 1.00 0.00 H new ATOM 0 HB2 ASP A 122 1.968 -11.521 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.475 -10.710 -4.629 1.00 0.00 H new ATOM 1822 N TYR A 123 3.051 -8.113 -5.999 1.00 0.00 N ATOM 1823 CA TYR A 123 3.357 -7.513 -7.332 1.00 0.00 C ATOM 1824 C TYR A 123 4.860 -7.224 -7.429 1.00 0.00 C ATOM 1825 O TYR A 123 5.539 -7.080 -6.430 1.00 0.00 O ATOM 1826 CB TYR A 123 2.563 -6.208 -7.495 1.00 0.00 C ATOM 1827 CG TYR A 123 1.334 -6.460 -8.337 1.00 0.00 C ATOM 1828 CD1 TYR A 123 1.409 -6.353 -9.732 1.00 0.00 C ATOM 1829 CD2 TYR A 123 0.123 -6.797 -7.725 1.00 0.00 C ATOM 1830 CE1 TYR A 123 0.271 -6.587 -10.513 1.00 0.00 C ATOM 1831 CE2 TYR A 123 -1.015 -7.029 -8.505 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.942 -6.924 -9.900 1.00 0.00 C ATOM 1833 OH TYR A 123 -2.064 -7.154 -10.669 1.00 0.00 O ATOM 0 H TYR A 123 3.720 -7.894 -5.261 1.00 0.00 H new ATOM 0 HA TYR A 123 3.075 -8.208 -8.122 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.273 -5.823 -6.517 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.187 -5.448 -7.964 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.344 -6.090 -10.204 1.00 0.00 H new ATOM 0 HD2 TYR A 123 0.066 -6.878 -6.650 1.00 0.00 H new ATOM 0 HE1 TYR A 123 0.329 -6.508 -11.589 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -1.950 -7.289 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 123 -2.820 -7.377 -10.086 1.00 0.00 H new ATOM 1843 N ASN A 124 5.384 -7.137 -8.624 1.00 0.00 N ATOM 1844 CA ASN A 124 6.842 -6.857 -8.786 1.00 0.00 C ATOM 1845 C ASN A 124 7.166 -5.492 -8.173 1.00 0.00 C ATOM 1846 O ASN A 124 6.691 -4.472 -8.624 1.00 0.00 O ATOM 1847 CB ASN A 124 7.199 -6.849 -10.272 1.00 0.00 C ATOM 1848 CG ASN A 124 6.656 -8.116 -10.935 1.00 0.00 C ATOM 1849 OD1 ASN A 124 5.464 -8.352 -10.936 1.00 0.00 O ATOM 1850 ND2 ASN A 124 7.485 -8.947 -11.506 1.00 0.00 N ATOM 0 H ASN A 124 4.865 -7.248 -9.495 1.00 0.00 H new ATOM 0 HA ASN A 124 7.421 -7.630 -8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.779 -5.966 -10.753 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.281 -6.796 -10.397 1.00 0.00 H new ATOM 0 HD21 ASN A 124 7.132 -9.793 -11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.486 -8.750 -11.506 1.00 0.00 H new ATOM 1857 N CYS A 125 7.966 -5.473 -7.145 1.00 0.00 N ATOM 1858 CA CYS A 125 8.319 -4.184 -6.481 1.00 0.00 C ATOM 1859 C CYS A 125 8.716 -3.120 -7.509 1.00 0.00 C ATOM 1860 O CYS A 125 8.906 -1.971 -7.168 1.00 0.00 O ATOM 1861 CB CYS A 125 9.500 -4.410 -5.534 1.00 0.00 C ATOM 1862 SG CYS A 125 8.972 -5.438 -4.145 1.00 0.00 S ATOM 0 H CYS A 125 8.395 -6.301 -6.732 1.00 0.00 H new ATOM 0 HA CYS A 125 7.444 -3.835 -5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.319 -4.893 -6.067 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.876 -3.454 -5.170 1.00 0.00 H new ATOM 1867 N ASN A 126 8.867 -3.481 -8.756 1.00 0.00 N ATOM 1868 CA ASN A 126 9.278 -2.462 -9.771 1.00 0.00 C ATOM 1869 C ASN A 126 8.064 -1.953 -10.554 1.00 0.00 C ATOM 1870 O ASN A 126 8.006 -0.799 -10.927 1.00 0.00 O ATOM 1871 CB ASN A 126 10.287 -3.085 -10.740 1.00 0.00 C ATOM 1872 CG ASN A 126 10.979 -1.977 -11.536 1.00 0.00 C ATOM 1873 OD1 ASN A 126 10.502 -1.571 -12.577 1.00 0.00 O ATOM 1874 ND2 ASN A 126 12.096 -1.469 -11.088 1.00 0.00 N ATOM 0 H ASN A 126 8.726 -4.425 -9.115 1.00 0.00 H new ATOM 0 HA ASN A 126 9.734 -1.619 -9.252 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.025 -3.667 -10.189 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.780 -3.772 -11.417 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.567 -0.732 -11.612 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.497 -1.810 -10.214 1.00 0.00 H new ATOM 1881 N VAL A 127 7.086 -2.783 -10.799 1.00 0.00 N ATOM 1882 CA VAL A 127 5.891 -2.292 -11.548 1.00 0.00 C ATOM 1883 C VAL A 127 5.361 -1.077 -10.797 1.00 0.00 C ATOM 1884 O VAL A 127 5.155 -1.131 -9.600 1.00 0.00 O ATOM 1885 CB VAL A 127 4.818 -3.389 -11.592 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.450 -2.774 -11.907 1.00 0.00 C ATOM 1887 CG2 VAL A 127 5.178 -4.408 -12.676 1.00 0.00 C ATOM 0 H VAL A 127 7.060 -3.763 -10.519 1.00 0.00 H new ATOM 0 HA VAL A 127 6.153 -2.031 -12.573 1.00 0.00 H new ATOM 0 HB VAL A 127 4.772 -3.883 -10.621 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.696 -3.560 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.190 -2.050 -11.135 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.490 -2.274 -12.875 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.417 -5.188 -12.709 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.227 -3.908 -13.643 1.00 0.00 H new ATOM 0 HG23 VAL A 127 6.146 -4.855 -12.449 1.00 0.00 H new ATOM 1897 N ARG A 128 5.175 0.037 -11.455 1.00 0.00 N ATOM 1898 CA ARG A 128 4.709 1.224 -10.709 1.00 0.00 C ATOM 1899 C ARG A 128 3.204 1.234 -10.619 1.00 0.00 C ATOM 1900 O ARG A 128 2.535 0.711 -11.488 1.00 0.00 O ATOM 1901 CB ARG A 128 5.188 2.481 -11.446 1.00 0.00 C ATOM 1902 CG ARG A 128 5.328 2.181 -12.943 1.00 0.00 C ATOM 1903 CD ARG A 128 5.591 3.481 -13.717 1.00 0.00 C ATOM 1904 NE ARG A 128 4.476 3.719 -14.678 1.00 0.00 N ATOM 1905 CZ ARG A 128 4.468 3.112 -15.833 1.00 0.00 C ATOM 1906 NH1 ARG A 128 4.478 1.808 -15.887 1.00 0.00 N ATOM 1907 NH2 ARG A 128 4.449 3.809 -16.937 1.00 0.00 N ATOM 0 H ARG A 128 5.324 0.168 -12.455 1.00 0.00 H new ATOM 0 HA ARG A 128 5.114 1.199 -9.697 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.480 3.296 -11.293 1.00 0.00 H new ATOM 0 HB3 ARG A 128 6.145 2.810 -11.040 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.146 1.479 -13.107 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.420 1.705 -13.313 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.674 4.319 -13.025 1.00 0.00 H new ATOM 0 HD3 ARG A 128 6.539 3.414 -14.252 1.00 0.00 H new ATOM 0 HE ARG A 128 3.719 4.357 -14.432 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.492 1.262 -15.026 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.472 1.335 -16.791 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.440 4.828 -16.897 1.00 0.00 H new ATOM 0 HH22 ARG A 128 4.443 3.334 -17.840 1.00 0.00 H new ATOM 1921 N LEU A 129 2.634 1.813 -9.584 1.00 0.00 N ATOM 1922 CA LEU A 129 1.132 1.784 -9.548 1.00 0.00 C ATOM 1923 C LEU A 129 0.616 3.052 -8.927 1.00 0.00 C ATOM 1924 O LEU A 129 1.322 3.672 -8.155 1.00 0.00 O ATOM 1925 CB LEU A 129 0.680 0.606 -8.673 1.00 0.00 C ATOM 1926 CG LEU A 129 0.660 -0.702 -9.481 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.614 -1.720 -8.849 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.755 -1.272 -9.469 1.00 0.00 C ATOM 0 H LEU A 129 3.106 2.277 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 129 0.749 1.683 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.352 0.502 -7.821 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.314 0.806 -8.272 1.00 0.00 H new ATOM 0 HG LEU A 129 0.976 -0.499 -10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.595 -2.644 -9.427 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.626 -1.316 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.301 -1.925 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.778 -2.200 -10.040 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.059 -1.471 -8.441 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.441 -0.553 -9.917 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.607 3.434 -9.157 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.117 4.627 -8.460 1.00 0.00 C ATOM 1942 C PRO A 130 -0.962 4.353 -6.960 1.00 0.00 C ATOM 1943 O PRO A 130 -1.186 3.241 -6.529 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.585 4.676 -8.901 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.849 3.497 -9.857 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.531 2.742 -10.087 1.00 0.00 C ATOM 0 HA PRO A 130 -0.614 5.570 -8.675 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.243 4.615 -8.034 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.800 5.622 -9.398 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.598 2.828 -9.434 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.246 3.861 -10.805 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.624 1.681 -9.854 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.196 2.813 -11.122 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.519 5.287 -6.164 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.309 4.935 -4.724 1.00 0.00 C ATOM 1956 C TYR A 131 -0.749 6.042 -3.774 1.00 0.00 C ATOM 1957 O TYR A 131 -1.128 7.122 -4.176 1.00 0.00 O ATOM 1958 CB TYR A 131 1.182 4.687 -4.508 1.00 0.00 C ATOM 1959 CG TYR A 131 1.937 5.980 -4.717 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.120 6.480 -6.012 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.452 6.679 -3.620 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.816 7.679 -6.208 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.149 7.877 -3.814 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.331 8.378 -5.110 1.00 0.00 C ATOM 1965 OH TYR A 131 4.017 9.558 -5.302 1.00 0.00 O ATOM 0 H TYR A 131 -0.299 6.247 -6.431 1.00 0.00 H new ATOM 0 HA TYR A 131 -0.913 4.054 -4.507 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.358 4.308 -3.501 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.541 3.927 -5.202 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.724 5.941 -6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.311 6.293 -2.621 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.956 8.065 -7.207 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.546 8.415 -2.966 1.00 0.00 H new ATOM 0 HH TYR A 131 4.305 9.914 -4.435 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.663 5.763 -2.493 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.034 6.779 -1.469 1.00 0.00 C ATOM 1977 C VAL A 132 0.210 7.065 -0.631 1.00 0.00 C ATOM 1978 O VAL A 132 1.132 6.274 -0.599 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.150 6.229 -0.577 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.442 7.219 0.555 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.418 6.034 -1.412 1.00 0.00 C ATOM 0 H VAL A 132 -0.349 4.868 -2.117 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.392 7.692 -1.944 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.835 5.275 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.237 6.824 1.188 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.542 7.365 1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.755 8.173 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.214 5.642 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.727 6.991 -1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.217 5.330 -2.219 1.00 0.00 H new ATOM 1991 N CYS A 133 0.265 8.183 0.034 1.00 0.00 N ATOM 1992 CA CYS A 133 1.480 8.495 0.844 1.00 0.00 C ATOM 1993 C CYS A 133 1.081 9.170 2.157 1.00 0.00 C ATOM 1994 O CYS A 133 0.317 10.113 2.171 1.00 0.00 O ATOM 1995 CB CYS A 133 2.377 9.436 0.034 1.00 0.00 C ATOM 1996 SG CYS A 133 3.722 10.048 1.076 1.00 0.00 S ATOM 0 H CYS A 133 -0.470 8.890 0.054 1.00 0.00 H new ATOM 0 HA CYS A 133 2.013 7.573 1.076 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.784 8.911 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.791 10.272 -0.348 1.00 0.00 H new ATOM 2001 N LYS A 134 1.607 8.701 3.265 1.00 0.00 N ATOM 2002 CA LYS A 134 1.266 9.327 4.578 1.00 0.00 C ATOM 2003 C LYS A 134 2.418 10.243 4.999 1.00 0.00 C ATOM 2004 O LYS A 134 3.544 10.053 4.588 1.00 0.00 O ATOM 2005 CB LYS A 134 1.057 8.224 5.627 1.00 0.00 C ATOM 2006 CG LYS A 134 2.405 7.806 6.233 1.00 0.00 C ATOM 2007 CD LYS A 134 2.248 6.488 7.005 1.00 0.00 C ATOM 2008 CE LYS A 134 1.730 6.776 8.416 1.00 0.00 C ATOM 2009 NZ LYS A 134 1.304 5.502 9.058 1.00 0.00 N ATOM 0 H LYS A 134 2.255 7.915 3.314 1.00 0.00 H new ATOM 0 HA LYS A 134 0.350 9.911 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.392 8.581 6.413 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.574 7.362 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.147 7.688 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.771 8.586 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.556 5.828 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 134 3.205 5.970 7.057 1.00 0.00 H new ATOM 0 HE2 LYS A 134 2.509 7.253 9.011 1.00 0.00 H new ATOM 0 HE3 LYS A 134 0.892 7.472 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 1.293 5.621 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 0.351 5.249 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 1.970 4.745 8.804 1.00 0.00 H new ATOM 2023 N PHE A 135 2.152 11.240 5.805 1.00 0.00 N ATOM 2024 CA PHE A 135 3.255 12.163 6.229 1.00 0.00 C ATOM 2025 C PHE A 135 2.709 13.240 7.172 1.00 0.00 C ATOM 2026 O PHE A 135 1.798 13.966 6.834 1.00 0.00 O ATOM 2027 CB PHE A 135 3.855 12.848 4.998 1.00 0.00 C ATOM 2028 CG PHE A 135 2.759 13.519 4.201 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.394 14.840 4.488 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.112 12.823 3.173 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.381 15.462 3.750 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.099 13.446 2.435 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.734 14.765 2.723 1.00 0.00 C ATOM 0 H PHE A 135 1.230 11.455 6.185 1.00 0.00 H new ATOM 0 HA PHE A 135 4.019 11.580 6.743 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.597 13.585 5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.372 12.115 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.894 15.379 5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.395 11.805 2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 135 1.098 16.480 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.599 12.908 1.643 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.047 15.246 2.153 1.00 0.00 H new