USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=28 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 131 TYR OH : rot 180:sc= -0.0191 USER MOD Set 2.1: A 22 SER OG : rot 35:sc= -3.74! USER MOD Set 2.2: A 126 ASN : amide:sc= 0 X(o=-3.7,f=-4.1) USER MOD Set 3.1: A 112 SER OG : rot 38:sc= -0.584! USER MOD Set 3.2: A 114 SER OG : rot 180:sc= -0.171 USER MOD Set 3.3: A 115 THR OG1 : rot -130:sc= 0.83 USER MOD Set 4.1: A 11 SER OG : rot 96:sc= 0.602 USER MOD Set 4.2: A 12 HIS : no HE2:sc= -3.33! K(o=-2.7!,f=-3.9) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.169) USER MOD Single : A 9 TYR OH : rot 165:sc=-0.00776 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= -0.393 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -76:sc= 0.885 USER MOD Single : A 37 ASN : amide:sc= -3.85! C(o=-3.8!,f=-4.7!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.344 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 144:sc= 0.772 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 -29:sc= 0.65 USER MOD Single : A 63 TYR OH : rot 120:sc=-0.00609 USER MOD Single : A 69 HIS : no HD1:sc= -0.545 K(o=-0.54,f=-0.0091) USER MOD Single : A 85 SER OG : rot 9:sc= 0.916! USER MOD Single : A 90 MET CE :methyl -133:sc= -0.282 (180deg=-1.59!) USER MOD Single : A 91 ASN : amide:sc= -0.0926 X(o=-0.093,f=-0.5) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -1.27! K(o=-1.3!,f=-0.48) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0967) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N SER A 6 -6.572 15.167 0.524 1.00 0.00 N ATOM 81 CA SER A 6 -5.696 14.476 1.516 1.00 0.00 C ATOM 82 C SER A 6 -6.511 14.159 2.773 1.00 0.00 C ATOM 83 O SER A 6 -7.362 14.927 3.175 1.00 0.00 O ATOM 84 CB SER A 6 -4.519 15.383 1.883 1.00 0.00 C ATOM 85 OG SER A 6 -4.889 16.207 2.982 1.00 0.00 O ATOM 0 HA SER A 6 -5.314 13.551 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.647 14.781 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.239 15.999 1.029 1.00 0.00 H new ATOM 0 HG SER A 6 -4.138 16.789 3.222 1.00 0.00 H new ATOM 91 N LYS A 7 -6.264 13.031 3.394 1.00 0.00 N ATOM 92 CA LYS A 7 -7.036 12.668 4.624 1.00 0.00 C ATOM 93 C LYS A 7 -6.063 12.268 5.733 1.00 0.00 C ATOM 94 O LYS A 7 -5.125 11.536 5.509 1.00 0.00 O ATOM 95 CB LYS A 7 -7.967 11.487 4.322 1.00 0.00 C ATOM 96 CG LYS A 7 -8.814 11.784 3.076 1.00 0.00 C ATOM 97 CD LYS A 7 -10.024 12.650 3.456 1.00 0.00 C ATOM 98 CE LYS A 7 -10.431 13.516 2.261 1.00 0.00 C ATOM 99 NZ LYS A 7 -10.811 12.639 1.117 1.00 0.00 N ATOM 0 H LYS A 7 -5.564 12.348 3.104 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.629 13.526 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.379 10.583 4.164 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.617 11.299 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.209 12.298 2.329 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.152 10.851 2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.857 12.016 3.759 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.778 13.282 4.309 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.268 14.160 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.607 14.169 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.277 13.209 0.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.958 12.195 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.464 11.900 1.448 1.00 0.00 H new ATOM 113 N ALA A 8 -6.278 12.744 6.931 1.00 0.00 N ATOM 114 CA ALA A 8 -5.355 12.386 8.048 1.00 0.00 C ATOM 115 C ALA A 8 -5.800 11.074 8.692 1.00 0.00 C ATOM 116 O ALA A 8 -6.941 10.668 8.587 1.00 0.00 O ATOM 117 CB ALA A 8 -5.368 13.497 9.099 1.00 0.00 C ATOM 0 H ALA A 8 -7.049 13.362 7.184 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.346 12.268 7.652 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.694 13.235 9.914 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.041 14.432 8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.379 13.617 9.489 1.00 0.00 H new ATOM 123 N TYR A 9 -4.899 10.408 9.362 1.00 0.00 N ATOM 124 CA TYR A 9 -5.248 9.120 10.022 1.00 0.00 C ATOM 125 C TYR A 9 -4.073 8.673 10.891 1.00 0.00 C ATOM 126 O TYR A 9 -2.926 8.843 10.533 1.00 0.00 O ATOM 127 CB TYR A 9 -5.532 8.059 8.957 1.00 0.00 C ATOM 128 CG TYR A 9 -6.193 6.863 9.599 1.00 0.00 C ATOM 129 CD1 TYR A 9 -5.411 5.816 10.101 1.00 0.00 C ATOM 130 CD2 TYR A 9 -7.589 6.801 9.694 1.00 0.00 C ATOM 131 CE1 TYR A 9 -6.024 4.708 10.698 1.00 0.00 C ATOM 132 CE2 TYR A 9 -8.202 5.693 10.290 1.00 0.00 C ATOM 133 CZ TYR A 9 -7.418 4.646 10.792 1.00 0.00 C ATOM 134 OH TYR A 9 -8.024 3.554 11.380 1.00 0.00 O ATOM 0 H TYR A 9 -3.930 10.704 9.481 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.135 9.251 10.641 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.177 8.471 8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -4.603 7.758 8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -4.335 5.863 10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.193 7.609 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.420 3.901 11.086 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -9.278 5.645 10.363 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.959 3.768 11.582 1.00 0.00 H new ATOM 144 N GLY A 10 -4.342 8.106 12.034 1.00 0.00 N ATOM 145 CA GLY A 10 -3.228 7.660 12.915 1.00 0.00 C ATOM 146 C GLY A 10 -2.427 8.878 13.376 1.00 0.00 C ATOM 147 O GLY A 10 -2.486 9.271 14.525 1.00 0.00 O ATOM 0 H GLY A 10 -5.280 7.933 12.395 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.624 7.124 13.777 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.580 6.967 12.378 1.00 0.00 H new ATOM 151 N SER A 11 -1.677 9.483 12.492 1.00 0.00 N ATOM 152 CA SER A 11 -0.877 10.678 12.888 1.00 0.00 C ATOM 153 C SER A 11 -0.105 11.218 11.679 1.00 0.00 C ATOM 154 O SER A 11 0.982 11.743 11.814 1.00 0.00 O ATOM 155 CB SER A 11 0.112 10.284 13.987 1.00 0.00 C ATOM 156 OG SER A 11 0.682 9.019 13.677 1.00 0.00 O ATOM 0 H SER A 11 -1.584 9.202 11.516 1.00 0.00 H new ATOM 0 HA SER A 11 -1.550 11.452 13.256 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.895 11.037 14.074 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.396 10.240 14.950 1.00 0.00 H new ATOM 0 HG SER A 11 1.539 9.150 13.220 1.00 0.00 H new ATOM 162 N HIS A 12 -0.653 11.102 10.497 1.00 0.00 N ATOM 163 CA HIS A 12 0.054 11.614 9.295 1.00 0.00 C ATOM 164 C HIS A 12 -0.978 12.036 8.250 1.00 0.00 C ATOM 165 O HIS A 12 -2.068 11.504 8.188 1.00 0.00 O ATOM 166 CB HIS A 12 0.935 10.509 8.709 1.00 0.00 C ATOM 167 CG HIS A 12 1.740 9.859 9.797 1.00 0.00 C ATOM 168 ND1 HIS A 12 3.094 10.105 9.958 1.00 0.00 N ATOM 169 CD2 HIS A 12 1.402 8.965 10.782 1.00 0.00 C ATOM 170 CE1 HIS A 12 3.518 9.374 11.005 1.00 0.00 C ATOM 171 NE2 HIS A 12 2.527 8.659 11.544 1.00 0.00 N ATOM 0 H HIS A 12 -1.561 10.674 10.316 1.00 0.00 H new ATOM 0 HA HIS A 12 0.674 12.466 9.573 1.00 0.00 H new ATOM 0 HB2 HIS A 12 0.314 9.764 8.211 1.00 0.00 H new ATOM 0 HB3 HIS A 12 1.601 10.926 7.953 1.00 0.00 H new ATOM 0 HD1 HIS A 12 3.666 10.727 9.387 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.414 8.560 10.942 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.536 9.366 11.366 1.00 0.00 H new ATOM 179 N CYS A 13 -0.641 12.978 7.415 1.00 0.00 N ATOM 180 CA CYS A 13 -1.600 13.415 6.363 1.00 0.00 C ATOM 181 C CYS A 13 -1.435 12.488 5.159 1.00 0.00 C ATOM 182 O CYS A 13 -0.345 12.298 4.660 1.00 0.00 O ATOM 183 CB CYS A 13 -1.294 14.864 5.959 1.00 0.00 C ATOM 184 SG CYS A 13 -2.524 15.970 6.697 1.00 0.00 S ATOM 0 H CYS A 13 0.256 13.464 7.415 1.00 0.00 H new ATOM 0 HA CYS A 13 -2.624 13.368 6.734 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -0.294 15.142 6.291 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.307 14.961 4.873 1.00 0.00 H new ATOM 0 HG CYS A 13 -2.264 17.197 6.357 1.00 0.00 H new ATOM 189 N TYR A 14 -2.505 11.895 4.697 1.00 0.00 N ATOM 190 CA TYR A 14 -2.394 10.966 3.538 1.00 0.00 C ATOM 191 C TYR A 14 -2.850 11.671 2.263 1.00 0.00 C ATOM 192 O TYR A 14 -3.756 12.478 2.281 1.00 0.00 O ATOM 193 CB TYR A 14 -3.269 9.733 3.782 1.00 0.00 C ATOM 194 CG TYR A 14 -2.736 8.963 4.968 1.00 0.00 C ATOM 195 CD1 TYR A 14 -2.837 9.501 6.257 1.00 0.00 C ATOM 196 CD2 TYR A 14 -2.139 7.709 4.781 1.00 0.00 C ATOM 197 CE1 TYR A 14 -2.344 8.789 7.356 1.00 0.00 C ATOM 198 CE2 TYR A 14 -1.646 6.997 5.883 1.00 0.00 C ATOM 199 CZ TYR A 14 -1.749 7.537 7.169 1.00 0.00 C ATOM 200 OH TYR A 14 -1.262 6.836 8.254 1.00 0.00 O ATOM 0 H TYR A 14 -3.446 12.014 5.072 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.355 10.657 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.300 10.036 3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.276 9.098 2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.296 10.467 6.403 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.059 7.291 3.788 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.423 9.206 8.349 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.186 6.030 5.739 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.882 5.985 7.950 1.00 0.00 H new ATOM 210 N ALA A 15 -2.229 11.370 1.153 1.00 0.00 N ATOM 211 CA ALA A 15 -2.624 12.018 -0.131 1.00 0.00 C ATOM 212 C ALA A 15 -2.594 10.980 -1.254 1.00 0.00 C ATOM 213 O ALA A 15 -1.720 10.137 -1.313 1.00 0.00 O ATOM 214 CB ALA A 15 -1.646 13.150 -0.454 1.00 0.00 C ATOM 0 H ALA A 15 -1.463 10.701 1.081 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.631 12.425 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.935 13.624 -1.392 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.667 13.889 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.638 12.745 -0.547 1.00 0.00 H new ATOM 220 N LEU A 16 -3.546 11.035 -2.145 1.00 0.00 N ATOM 221 CA LEU A 16 -3.589 10.054 -3.267 1.00 0.00 C ATOM 222 C LEU A 16 -3.018 10.702 -4.534 1.00 0.00 C ATOM 223 O LEU A 16 -3.374 11.808 -4.890 1.00 0.00 O ATOM 224 CB LEU A 16 -5.049 9.639 -3.505 1.00 0.00 C ATOM 225 CG LEU A 16 -5.186 8.898 -4.838 1.00 0.00 C ATOM 226 CD1 LEU A 16 -4.283 7.662 -4.843 1.00 0.00 C ATOM 227 CD2 LEU A 16 -6.641 8.462 -5.025 1.00 0.00 C ATOM 0 H LEU A 16 -4.300 11.721 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.994 9.175 -3.019 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.389 9.000 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.689 10.522 -3.506 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.890 9.562 -5.651 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.386 7.140 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.246 7.969 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.573 6.996 -4.031 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.744 7.934 -5.973 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.931 7.801 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.287 9.340 -5.027 1.00 0.00 H new ATOM 239 N PHE A 17 -2.146 10.011 -5.223 1.00 0.00 N ATOM 240 CA PHE A 17 -1.558 10.560 -6.471 1.00 0.00 C ATOM 241 C PHE A 17 -1.872 9.585 -7.601 1.00 0.00 C ATOM 242 O PHE A 17 -1.467 8.438 -7.575 1.00 0.00 O ATOM 243 CB PHE A 17 -0.042 10.693 -6.312 1.00 0.00 C ATOM 244 CG PHE A 17 0.275 11.918 -5.488 1.00 0.00 C ATOM 245 CD1 PHE A 17 0.277 11.842 -4.091 1.00 0.00 C ATOM 246 CD2 PHE A 17 0.567 13.132 -6.124 1.00 0.00 C ATOM 247 CE1 PHE A 17 0.571 12.978 -3.327 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.861 14.268 -5.360 1.00 0.00 C ATOM 249 CZ PHE A 17 0.864 14.191 -3.963 1.00 0.00 C ATOM 0 H PHE A 17 -1.816 9.080 -4.967 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.973 11.544 -6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.363 9.803 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.431 10.768 -7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.052 10.906 -3.601 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.565 13.191 -7.202 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.572 12.919 -2.249 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.086 15.204 -5.849 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.092 15.067 -3.375 1.00 0.00 H new ATOM 259 N LEU A 18 -2.587 10.026 -8.593 1.00 0.00 N ATOM 260 CA LEU A 18 -2.922 9.124 -9.720 1.00 0.00 C ATOM 261 C LEU A 18 -1.663 8.917 -10.539 1.00 0.00 C ATOM 262 O LEU A 18 -1.696 8.411 -11.643 1.00 0.00 O ATOM 263 CB LEU A 18 -4.012 9.758 -10.590 1.00 0.00 C ATOM 264 CG LEU A 18 -5.113 10.340 -9.700 1.00 0.00 C ATOM 265 CD1 LEU A 18 -6.352 10.633 -10.549 1.00 0.00 C ATOM 266 CD2 LEU A 18 -5.477 9.334 -8.604 1.00 0.00 C ATOM 0 H LEU A 18 -2.954 10.974 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.293 8.170 -9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.582 10.543 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.433 9.011 -11.263 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.755 11.262 -9.241 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.137 11.048 -9.916 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.097 11.351 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.706 9.710 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.261 9.752 -7.972 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.833 8.411 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.597 9.123 -7.997 1.00 0.00 H new ATOM 278 N SER A 19 -0.546 9.314 -9.999 1.00 0.00 N ATOM 279 CA SER A 19 0.730 9.144 -10.750 1.00 0.00 C ATOM 280 C SER A 19 1.361 7.789 -10.389 1.00 0.00 C ATOM 281 O SER A 19 1.633 7.522 -9.235 1.00 0.00 O ATOM 282 CB SER A 19 1.706 10.266 -10.395 1.00 0.00 C ATOM 283 OG SER A 19 1.074 11.180 -9.510 1.00 0.00 O ATOM 0 H SER A 19 -0.460 9.745 -9.079 1.00 0.00 H new ATOM 0 HA SER A 19 0.518 9.181 -11.819 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.600 9.851 -9.929 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.028 10.782 -11.299 1.00 0.00 H new ATOM 0 HG SER A 19 1.699 11.899 -9.280 1.00 0.00 H new ATOM 289 N PRO A 20 1.600 6.943 -11.361 1.00 0.00 N ATOM 290 CA PRO A 20 2.215 5.615 -11.089 1.00 0.00 C ATOM 291 C PRO A 20 3.629 5.747 -10.507 1.00 0.00 C ATOM 292 O PRO A 20 4.338 6.691 -10.795 1.00 0.00 O ATOM 293 CB PRO A 20 2.268 4.978 -12.479 1.00 0.00 C ATOM 294 CG PRO A 20 1.703 5.971 -13.505 1.00 0.00 C ATOM 295 CD PRO A 20 1.271 7.243 -12.779 1.00 0.00 C ATOM 0 HA PRO A 20 1.655 5.036 -10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.295 4.716 -12.734 1.00 0.00 H new ATOM 0 HB3 PRO A 20 1.691 4.054 -12.492 1.00 0.00 H new ATOM 0 HG2 PRO A 20 2.456 6.204 -14.258 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.855 5.530 -14.029 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.809 8.118 -13.142 1.00 0.00 H new ATOM 0 HD3 PRO A 20 0.208 7.444 -12.913 1.00 0.00 H new ATOM 303 N LYS A 21 4.053 4.805 -9.710 1.00 0.00 N ATOM 304 CA LYS A 21 5.429 4.885 -9.136 1.00 0.00 C ATOM 305 C LYS A 21 5.853 3.501 -8.633 1.00 0.00 C ATOM 306 O LYS A 21 5.163 2.885 -7.853 1.00 0.00 O ATOM 307 CB LYS A 21 5.441 5.877 -7.967 1.00 0.00 C ATOM 308 CG LYS A 21 5.463 7.318 -8.491 1.00 0.00 C ATOM 309 CD LYS A 21 6.024 8.247 -7.412 1.00 0.00 C ATOM 310 CE LYS A 21 5.745 9.702 -7.794 1.00 0.00 C ATOM 311 NZ LYS A 21 6.543 10.607 -6.920 1.00 0.00 N ATOM 0 H LYS A 21 3.511 3.987 -9.432 1.00 0.00 H new ATOM 0 HA LYS A 21 6.123 5.223 -9.906 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.561 5.724 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.313 5.698 -7.339 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.074 7.379 -9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.456 7.631 -8.767 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.568 8.019 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.097 8.088 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.001 9.870 -8.840 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.682 9.920 -7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.354 11.596 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.278 10.453 -5.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.556 10.405 -7.043 1.00 0.00 H new ATOM 325 N SER A 22 6.988 3.015 -9.057 1.00 0.00 N ATOM 326 CA SER A 22 7.443 1.677 -8.578 1.00 0.00 C ATOM 327 C SER A 22 7.315 1.623 -7.056 1.00 0.00 C ATOM 328 O SER A 22 7.453 2.624 -6.382 1.00 0.00 O ATOM 329 CB SER A 22 8.902 1.459 -8.973 1.00 0.00 C ATOM 330 OG SER A 22 9.413 0.339 -8.264 1.00 0.00 O ATOM 0 H SER A 22 7.617 3.482 -9.710 1.00 0.00 H new ATOM 0 HA SER A 22 6.829 0.898 -9.029 1.00 0.00 H new ATOM 0 HB2 SER A 22 8.980 1.291 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.490 2.348 -8.746 1.00 0.00 H new ATOM 0 HG SER A 22 8.705 -0.330 -8.155 1.00 0.00 H new ATOM 336 N TRP A 23 7.058 0.470 -6.503 1.00 0.00 N ATOM 337 CA TRP A 23 6.934 0.385 -5.022 1.00 0.00 C ATOM 338 C TRP A 23 8.230 0.892 -4.405 1.00 0.00 C ATOM 339 O TRP A 23 8.280 1.289 -3.260 1.00 0.00 O ATOM 340 CB TRP A 23 6.706 -1.064 -4.591 1.00 0.00 C ATOM 341 CG TRP A 23 6.601 -1.121 -3.101 1.00 0.00 C ATOM 342 CD1 TRP A 23 5.443 -1.200 -2.407 1.00 0.00 C ATOM 343 CD2 TRP A 23 7.670 -1.097 -2.111 1.00 0.00 C ATOM 344 NE1 TRP A 23 5.732 -1.225 -1.055 1.00 0.00 N ATOM 345 CE2 TRP A 23 7.091 -1.164 -0.822 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.072 -1.024 -2.206 1.00 0.00 C ATOM 347 CZ2 TRP A 23 7.876 -1.160 0.333 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.864 -1.020 -1.046 1.00 0.00 C ATOM 349 CH2 TRP A 23 9.266 -1.087 0.221 1.00 0.00 C ATOM 0 H TRP A 23 6.930 -0.408 -7.006 1.00 0.00 H new ATOM 0 HA TRP A 23 6.087 0.986 -4.690 1.00 0.00 H new ATOM 0 HB2 TRP A 23 5.796 -1.453 -5.047 1.00 0.00 H new ATOM 0 HB3 TRP A 23 7.528 -1.692 -4.934 1.00 0.00 H new ATOM 0 HD1 TRP A 23 4.454 -1.237 -2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 23 5.027 -1.282 -0.320 1.00 0.00 H new ATOM 0 HE3 TRP A 23 9.542 -0.971 -3.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.411 -1.213 1.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 10.939 -0.965 -1.130 1.00 0.00 H new ATOM 0 HH2 TRP A 23 9.880 -1.082 1.109 1.00 0.00 H new ATOM 360 N THR A 24 9.282 0.882 -5.171 1.00 0.00 N ATOM 361 CA THR A 24 10.595 1.359 -4.657 1.00 0.00 C ATOM 362 C THR A 24 10.733 2.850 -4.958 1.00 0.00 C ATOM 363 O THR A 24 11.530 3.551 -4.367 1.00 0.00 O ATOM 364 CB THR A 24 11.714 0.579 -5.353 1.00 0.00 C ATOM 365 OG1 THR A 24 12.932 0.771 -4.646 1.00 0.00 O ATOM 366 CG2 THR A 24 11.878 1.066 -6.799 1.00 0.00 C ATOM 0 H THR A 24 9.289 0.561 -6.139 1.00 0.00 H new ATOM 0 HA THR A 24 10.661 1.201 -3.581 1.00 0.00 H new ATOM 0 HB THR A 24 11.457 -0.480 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.649 0.271 -5.089 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.676 0.504 -7.284 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.945 0.913 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.129 2.127 -6.799 1.00 0.00 H new ATOM 374 N ASP A 25 9.955 3.327 -5.885 1.00 0.00 N ATOM 375 CA ASP A 25 10.013 4.766 -6.263 1.00 0.00 C ATOM 376 C ASP A 25 9.083 5.561 -5.356 1.00 0.00 C ATOM 377 O ASP A 25 9.428 6.621 -4.873 1.00 0.00 O ATOM 378 CB ASP A 25 9.569 4.929 -7.716 1.00 0.00 C ATOM 379 CG ASP A 25 9.462 6.418 -8.057 1.00 0.00 C ATOM 380 OD1 ASP A 25 10.175 7.198 -7.446 1.00 0.00 O ATOM 381 OD2 ASP A 25 8.670 6.751 -8.922 1.00 0.00 O ATOM 0 H ASP A 25 9.272 2.775 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 25 11.034 5.133 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.283 4.444 -8.382 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.607 4.440 -7.870 1.00 0.00 H new ATOM 386 N ALA A 26 7.910 5.053 -5.102 1.00 0.00 N ATOM 387 CA ALA A 26 6.981 5.773 -4.212 1.00 0.00 C ATOM 388 C ALA A 26 7.501 5.605 -2.795 1.00 0.00 C ATOM 389 O ALA A 26 7.348 6.461 -1.951 1.00 0.00 O ATOM 390 CB ALA A 26 5.590 5.166 -4.341 1.00 0.00 C ATOM 0 H ALA A 26 7.561 4.170 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 26 6.918 6.830 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.900 5.696 -3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.249 5.254 -5.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.625 4.114 -4.058 1.00 0.00 H new ATOM 396 N ASP A 27 8.131 4.495 -2.540 1.00 0.00 N ATOM 397 CA ASP A 27 8.690 4.247 -1.193 1.00 0.00 C ATOM 398 C ASP A 27 9.759 5.299 -0.886 1.00 0.00 C ATOM 399 O ASP A 27 9.820 5.839 0.198 1.00 0.00 O ATOM 400 CB ASP A 27 9.315 2.854 -1.178 1.00 0.00 C ATOM 401 CG ASP A 27 10.131 2.663 0.102 1.00 0.00 C ATOM 402 OD1 ASP A 27 9.905 3.406 1.042 1.00 0.00 O ATOM 403 OD2 ASP A 27 10.969 1.776 0.120 1.00 0.00 O ATOM 0 H ASP A 27 8.282 3.745 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 27 7.905 4.309 -0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.535 2.095 -1.239 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.955 2.724 -2.051 1.00 0.00 H new ATOM 408 N LEU A 28 10.604 5.590 -1.836 1.00 0.00 N ATOM 409 CA LEU A 28 11.673 6.604 -1.601 1.00 0.00 C ATOM 410 C LEU A 28 11.061 8.011 -1.585 1.00 0.00 C ATOM 411 O LEU A 28 11.371 8.822 -0.735 1.00 0.00 O ATOM 412 CB LEU A 28 12.720 6.514 -2.720 1.00 0.00 C ATOM 413 CG LEU A 28 13.756 5.433 -2.383 1.00 0.00 C ATOM 414 CD1 LEU A 28 14.421 4.939 -3.669 1.00 0.00 C ATOM 415 CD2 LEU A 28 14.829 6.014 -1.454 1.00 0.00 C ATOM 0 H LEU A 28 10.601 5.170 -2.766 1.00 0.00 H new ATOM 0 HA LEU A 28 12.148 6.408 -0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.233 6.280 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.215 7.477 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 28 13.254 4.602 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 28 15.156 4.172 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.664 4.520 -4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.917 5.773 -4.166 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.562 5.243 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.326 6.848 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.362 6.365 -0.534 1.00 0.00 H new ATOM 427 N ALA A 29 10.207 8.310 -2.525 1.00 0.00 N ATOM 428 CA ALA A 29 9.591 9.668 -2.567 1.00 0.00 C ATOM 429 C ALA A 29 8.715 9.887 -1.332 1.00 0.00 C ATOM 430 O ALA A 29 8.883 10.848 -0.609 1.00 0.00 O ATOM 431 CB ALA A 29 8.733 9.800 -3.823 1.00 0.00 C ATOM 0 H ALA A 29 9.909 7.674 -3.265 1.00 0.00 H new ATOM 0 HA ALA A 29 10.384 10.416 -2.581 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.283 10.792 -3.854 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.356 9.657 -4.706 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.947 9.045 -3.807 1.00 0.00 H new ATOM 437 N CYS A 30 7.782 9.010 -1.077 1.00 0.00 N ATOM 438 CA CYS A 30 6.919 9.194 0.116 1.00 0.00 C ATOM 439 C CYS A 30 7.808 9.175 1.359 1.00 0.00 C ATOM 440 O CYS A 30 7.452 9.689 2.400 1.00 0.00 O ATOM 441 CB CYS A 30 5.887 8.068 0.182 1.00 0.00 C ATOM 442 SG CYS A 30 4.698 8.416 1.502 1.00 0.00 S ATOM 0 H CYS A 30 7.584 8.183 -1.640 1.00 0.00 H new ATOM 0 HA CYS A 30 6.388 10.144 0.059 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.370 7.978 -0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.384 7.115 0.367 1.00 0.00 H new ATOM 447 N GLN A 31 8.980 8.609 1.245 1.00 0.00 N ATOM 448 CA GLN A 31 9.909 8.584 2.407 1.00 0.00 C ATOM 449 C GLN A 31 10.605 9.939 2.488 1.00 0.00 C ATOM 450 O GLN A 31 10.923 10.428 3.553 1.00 0.00 O ATOM 451 CB GLN A 31 10.953 7.482 2.216 1.00 0.00 C ATOM 452 CG GLN A 31 12.040 7.613 3.285 1.00 0.00 C ATOM 453 CD GLN A 31 12.877 6.333 3.322 1.00 0.00 C ATOM 454 OE1 GLN A 31 12.993 5.639 2.332 1.00 0.00 O ATOM 455 NE2 GLN A 31 13.470 5.988 4.433 1.00 0.00 N ATOM 0 H GLN A 31 9.332 8.164 0.397 1.00 0.00 H new ATOM 0 HA GLN A 31 9.356 8.385 3.325 1.00 0.00 H new ATOM 0 HB2 GLN A 31 10.479 6.503 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 31 11.395 7.555 1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.677 8.470 3.068 1.00 0.00 H new ATOM 0 HG3 GLN A 31 11.586 7.792 4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.373 6.570 5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.030 5.136 4.469 1.00 0.00 H new ATOM 464 N LYS A 32 10.830 10.551 1.359 1.00 0.00 N ATOM 465 CA LYS A 32 11.492 11.877 1.347 1.00 0.00 C ATOM 466 C LYS A 32 10.599 12.885 2.074 1.00 0.00 C ATOM 467 O LYS A 32 10.947 14.037 2.242 1.00 0.00 O ATOM 468 CB LYS A 32 11.708 12.317 -0.107 1.00 0.00 C ATOM 469 CG LYS A 32 12.120 13.790 -0.151 1.00 0.00 C ATOM 470 CD LYS A 32 12.792 14.102 -1.493 1.00 0.00 C ATOM 471 CE LYS A 32 14.156 13.403 -1.580 1.00 0.00 C ATOM 472 NZ LYS A 32 15.097 14.252 -2.366 1.00 0.00 N ATOM 0 H LYS A 32 10.581 10.184 0.441 1.00 0.00 H new ATOM 0 HA LYS A 32 12.457 11.822 1.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.478 11.701 -0.572 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.793 12.169 -0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.245 14.426 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.804 14.010 0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.154 13.772 -2.313 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.920 15.179 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 32 14.553 13.230 -0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.048 12.427 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.022 13.781 -2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.718 14.395 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.208 15.173 -1.897 1.00 0.00 H new ATOM 486 N ARG A 33 9.444 12.454 2.508 1.00 0.00 N ATOM 487 CA ARG A 33 8.514 13.375 3.224 1.00 0.00 C ATOM 488 C ARG A 33 8.752 13.270 4.732 1.00 0.00 C ATOM 489 O ARG A 33 9.312 12.302 5.204 1.00 0.00 O ATOM 490 CB ARG A 33 7.067 12.982 2.887 1.00 0.00 C ATOM 491 CG ARG A 33 6.565 13.818 1.702 1.00 0.00 C ATOM 492 CD ARG A 33 5.074 13.559 1.480 1.00 0.00 C ATOM 493 NE ARG A 33 4.716 13.903 0.074 1.00 0.00 N ATOM 494 CZ ARG A 33 3.559 14.442 -0.196 1.00 0.00 C ATOM 495 NH1 ARG A 33 2.459 13.853 0.184 1.00 0.00 N ATOM 496 NH2 ARG A 33 3.501 15.573 -0.848 1.00 0.00 N ATOM 0 H ARG A 33 9.104 11.499 2.397 1.00 0.00 H new ATOM 0 HA ARG A 33 8.692 14.404 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.016 11.921 2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.426 13.141 3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.735 14.877 1.895 1.00 0.00 H new ATOM 0 HG3 ARG A 33 7.126 13.564 0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.841 12.513 1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.483 14.156 2.174 1.00 0.00 H new ATOM 0 HE ARG A 33 5.378 13.716 -0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.503 12.970 0.693 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.555 14.275 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.360 16.035 -1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.596 15.994 -1.059 1.00 0.00 H new ATOM 510 N PRO A 34 8.329 14.259 5.487 1.00 0.00 N ATOM 511 CA PRO A 34 8.516 14.234 6.961 1.00 0.00 C ATOM 512 C PRO A 34 8.125 12.882 7.555 1.00 0.00 C ATOM 513 O PRO A 34 7.021 12.685 8.022 1.00 0.00 O ATOM 514 CB PRO A 34 7.589 15.367 7.430 1.00 0.00 C ATOM 515 CG PRO A 34 6.931 16.003 6.193 1.00 0.00 C ATOM 516 CD PRO A 34 7.631 15.453 4.944 1.00 0.00 C ATOM 0 HA PRO A 34 9.551 14.372 7.274 1.00 0.00 H new ATOM 0 HB2 PRO A 34 6.828 14.978 8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.156 16.115 7.984 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.867 15.770 6.166 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.019 17.089 6.231 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.921 15.190 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.327 16.174 4.515 1.00 0.00 H new ATOM 524 N SER A 35 9.028 11.945 7.519 1.00 0.00 N ATOM 525 CA SER A 35 8.726 10.596 8.058 1.00 0.00 C ATOM 526 C SER A 35 7.638 9.954 7.203 1.00 0.00 C ATOM 527 O SER A 35 7.010 8.993 7.599 1.00 0.00 O ATOM 528 CB SER A 35 8.246 10.711 9.506 1.00 0.00 C ATOM 529 OG SER A 35 6.834 10.871 9.522 1.00 0.00 O ATOM 0 H SER A 35 9.967 12.058 7.137 1.00 0.00 H new ATOM 0 HA SER A 35 9.625 9.981 8.033 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.529 9.820 10.067 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.725 11.560 9.994 1.00 0.00 H new ATOM 0 HG SER A 35 6.606 11.789 9.265 1.00 0.00 H new ATOM 535 N GLY A 36 7.408 10.479 6.031 1.00 0.00 N ATOM 536 CA GLY A 36 6.355 9.893 5.158 1.00 0.00 C ATOM 537 C GLY A 36 6.802 8.519 4.648 1.00 0.00 C ATOM 538 O GLY A 36 7.856 8.027 4.994 1.00 0.00 O ATOM 0 H GLY A 36 7.901 11.283 5.643 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.422 9.798 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.159 10.556 4.316 1.00 0.00 H new ATOM 542 N ASN A 37 5.993 7.902 3.829 1.00 0.00 N ATOM 543 CA ASN A 37 6.331 6.555 3.275 1.00 0.00 C ATOM 544 C ASN A 37 5.043 5.916 2.751 1.00 0.00 C ATOM 545 O ASN A 37 3.991 6.081 3.337 1.00 0.00 O ATOM 546 CB ASN A 37 6.924 5.656 4.374 1.00 0.00 C ATOM 547 CG ASN A 37 8.447 5.598 4.239 1.00 0.00 C ATOM 548 OD1 ASN A 37 8.961 5.091 3.262 1.00 0.00 O ATOM 549 ND2 ASN A 37 9.197 6.091 5.187 1.00 0.00 N ATOM 0 H ASN A 37 5.099 8.279 3.515 1.00 0.00 H new ATOM 0 HA ASN A 37 7.065 6.664 2.476 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.652 6.042 5.357 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.506 4.652 4.299 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.213 6.050 5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.767 6.517 6.008 1.00 0.00 H new ATOM 556 N LEU A 38 5.112 5.200 1.653 1.00 0.00 N ATOM 557 CA LEU A 38 3.886 4.550 1.099 1.00 0.00 C ATOM 558 C LEU A 38 2.846 4.341 2.209 1.00 0.00 C ATOM 559 O LEU A 38 3.162 3.920 3.304 1.00 0.00 O ATOM 560 CB LEU A 38 4.277 3.203 0.500 1.00 0.00 C ATOM 561 CG LEU A 38 4.966 3.428 -0.843 1.00 0.00 C ATOM 562 CD1 LEU A 38 5.667 2.141 -1.289 1.00 0.00 C ATOM 563 CD2 LEU A 38 3.923 3.837 -1.886 1.00 0.00 C ATOM 0 H LEU A 38 5.966 5.039 1.118 1.00 0.00 H new ATOM 0 HA LEU A 38 3.449 5.189 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.943 2.670 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.392 2.580 0.368 1.00 0.00 H new ATOM 0 HG LEU A 38 5.708 4.220 -0.741 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.157 2.307 -2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.411 1.856 -0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.932 1.343 -1.391 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.413 3.998 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.179 3.047 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.433 4.758 -1.569 1.00 0.00 H new ATOM 575 N VAL A 39 1.611 4.655 1.931 1.00 0.00 N ATOM 576 CA VAL A 39 0.533 4.509 2.954 1.00 0.00 C ATOM 577 C VAL A 39 0.706 3.220 3.761 1.00 0.00 C ATOM 578 O VAL A 39 1.107 2.195 3.248 1.00 0.00 O ATOM 579 CB VAL A 39 -0.823 4.487 2.247 1.00 0.00 C ATOM 580 CG1 VAL A 39 -0.757 3.541 1.047 1.00 0.00 C ATOM 581 CG2 VAL A 39 -1.910 4.006 3.214 1.00 0.00 C ATOM 0 H VAL A 39 1.297 5.011 1.028 1.00 0.00 H new ATOM 0 HA VAL A 39 0.590 5.352 3.643 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.065 5.494 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.723 3.525 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.009 3.887 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.510 2.536 1.389 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.872 3.993 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.670 3.001 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.962 4.681 4.068 1.00 0.00 H new ATOM 591 N SER A 40 0.384 3.275 5.029 1.00 0.00 N ATOM 592 CA SER A 40 0.498 2.068 5.902 1.00 0.00 C ATOM 593 C SER A 40 -0.908 1.527 6.194 1.00 0.00 C ATOM 594 O SER A 40 -1.896 2.190 5.946 1.00 0.00 O ATOM 595 CB SER A 40 1.179 2.456 7.217 1.00 0.00 C ATOM 596 OG SER A 40 0.617 1.696 8.280 1.00 0.00 O ATOM 0 H SER A 40 0.044 4.113 5.501 1.00 0.00 H new ATOM 0 HA SER A 40 1.090 1.302 5.400 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.252 2.274 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.048 3.521 7.407 1.00 0.00 H new ATOM 0 HG SER A 40 1.052 1.941 9.123 1.00 0.00 H new ATOM 602 N VAL A 41 -1.010 0.329 6.713 1.00 0.00 N ATOM 603 CA VAL A 41 -2.358 -0.245 7.009 1.00 0.00 C ATOM 604 C VAL A 41 -2.248 -1.227 8.190 1.00 0.00 C ATOM 605 O VAL A 41 -2.020 -2.406 8.005 1.00 0.00 O ATOM 606 CB VAL A 41 -2.887 -0.987 5.763 1.00 0.00 C ATOM 607 CG1 VAL A 41 -4.414 -0.903 5.712 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.310 -0.358 4.486 1.00 0.00 C ATOM 0 H VAL A 41 -0.221 -0.275 6.944 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.048 0.558 7.270 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.578 -2.030 5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.778 -1.429 4.830 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.834 -1.362 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.719 0.142 5.663 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.691 -0.890 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.607 0.689 4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.222 -0.426 4.506 1.00 0.00 H new ATOM 618 N LEU A 42 -2.393 -0.745 9.401 1.00 0.00 N ATOM 619 CA LEU A 42 -2.284 -1.644 10.596 1.00 0.00 C ATOM 620 C LEU A 42 -3.629 -1.749 11.324 1.00 0.00 C ATOM 621 O LEU A 42 -3.691 -2.222 12.441 1.00 0.00 O ATOM 622 CB LEU A 42 -1.253 -1.070 11.570 1.00 0.00 C ATOM 623 CG LEU A 42 0.160 -1.304 11.034 1.00 0.00 C ATOM 624 CD1 LEU A 42 1.169 -0.654 11.981 1.00 0.00 C ATOM 625 CD2 LEU A 42 0.440 -2.812 10.940 1.00 0.00 C ATOM 0 H LEU A 42 -2.583 0.234 9.615 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.982 -2.634 10.253 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.426 -0.003 11.708 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.363 -1.540 12.547 1.00 0.00 H new ATOM 0 HG LEU A 42 0.249 -0.863 10.041 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.179 -0.817 11.605 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.973 0.417 12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.075 -1.097 12.972 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.448 -2.972 10.558 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.352 -3.261 11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.281 -3.275 10.266 1.00 0.00 H new ATOM 637 N SER A 43 -4.704 -1.315 10.721 1.00 0.00 N ATOM 638 CA SER A 43 -6.021 -1.401 11.423 1.00 0.00 C ATOM 639 C SER A 43 -7.117 -1.813 10.441 1.00 0.00 C ATOM 640 O SER A 43 -7.079 -1.482 9.273 1.00 0.00 O ATOM 641 CB SER A 43 -6.366 -0.036 12.021 1.00 0.00 C ATOM 642 OG SER A 43 -5.354 0.340 12.946 1.00 0.00 O ATOM 0 H SER A 43 -4.730 -0.910 9.785 1.00 0.00 H new ATOM 0 HA SER A 43 -5.953 -2.147 12.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.448 0.710 11.231 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.334 -0.079 12.520 1.00 0.00 H new ATOM 0 HG SER A 43 -5.571 1.215 13.330 1.00 0.00 H new ATOM 648 N GLY A 44 -8.102 -2.528 10.916 1.00 0.00 N ATOM 649 CA GLY A 44 -9.213 -2.957 10.020 1.00 0.00 C ATOM 650 C GLY A 44 -9.954 -1.718 9.522 1.00 0.00 C ATOM 651 O GLY A 44 -10.584 -1.732 8.484 1.00 0.00 O ATOM 0 H GLY A 44 -8.184 -2.833 11.886 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.819 -3.525 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.897 -3.615 10.556 1.00 0.00 H new ATOM 655 N ALA A 45 -9.877 -0.641 10.254 1.00 0.00 N ATOM 656 CA ALA A 45 -10.565 0.606 9.824 1.00 0.00 C ATOM 657 C ALA A 45 -9.686 1.326 8.802 1.00 0.00 C ATOM 658 O ALA A 45 -10.169 1.961 7.887 1.00 0.00 O ATOM 659 CB ALA A 45 -10.790 1.513 11.035 1.00 0.00 C ATOM 0 H ALA A 45 -9.365 -0.572 11.134 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.529 0.361 9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.294 2.426 10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -11.407 0.994 11.769 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -9.829 1.766 11.483 1.00 0.00 H new ATOM 665 N GLU A 46 -8.393 1.224 8.950 1.00 0.00 N ATOM 666 CA GLU A 46 -7.477 1.891 7.987 1.00 0.00 C ATOM 667 C GLU A 46 -7.565 1.177 6.637 1.00 0.00 C ATOM 668 O GLU A 46 -7.566 1.798 5.597 1.00 0.00 O ATOM 669 CB GLU A 46 -6.041 1.819 8.510 1.00 0.00 C ATOM 670 CG GLU A 46 -5.114 2.594 7.570 1.00 0.00 C ATOM 671 CD GLU A 46 -3.775 2.849 8.267 1.00 0.00 C ATOM 672 OE1 GLU A 46 -3.547 2.248 9.304 1.00 0.00 O ATOM 673 OE2 GLU A 46 -3.002 3.639 7.751 1.00 0.00 O ATOM 0 H GLU A 46 -7.933 0.706 9.698 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.765 2.936 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.988 2.236 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.720 0.780 8.579 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.956 2.029 6.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.575 3.541 7.287 1.00 0.00 H new ATOM 680 N GLY A 47 -7.647 -0.124 6.647 1.00 0.00 N ATOM 681 CA GLY A 47 -7.742 -0.869 5.360 1.00 0.00 C ATOM 682 C GLY A 47 -8.983 -0.402 4.599 1.00 0.00 C ATOM 683 O GLY A 47 -8.992 -0.332 3.387 1.00 0.00 O ATOM 0 H GLY A 47 -7.652 -0.702 7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.848 -0.699 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.799 -1.941 5.550 1.00 0.00 H new ATOM 687 N SER A 48 -10.030 -0.075 5.307 1.00 0.00 N ATOM 688 CA SER A 48 -11.271 0.394 4.630 1.00 0.00 C ATOM 689 C SER A 48 -11.141 1.885 4.320 1.00 0.00 C ATOM 690 O SER A 48 -11.674 2.376 3.344 1.00 0.00 O ATOM 691 CB SER A 48 -12.471 0.168 5.551 1.00 0.00 C ATOM 692 OG SER A 48 -13.608 0.829 5.012 1.00 0.00 O ATOM 0 H SER A 48 -10.079 -0.113 6.325 1.00 0.00 H new ATOM 0 HA SER A 48 -11.416 -0.162 3.704 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.670 -0.899 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.254 0.548 6.549 1.00 0.00 H new ATOM 0 HG SER A 48 -14.379 0.685 5.599 1.00 0.00 H new ATOM 698 N PHE A 49 -10.435 2.610 5.144 1.00 0.00 N ATOM 699 CA PHE A 49 -10.268 4.070 4.898 1.00 0.00 C ATOM 700 C PHE A 49 -9.370 4.279 3.678 1.00 0.00 C ATOM 701 O PHE A 49 -9.704 5.010 2.769 1.00 0.00 O ATOM 702 CB PHE A 49 -9.629 4.720 6.129 1.00 0.00 C ATOM 703 CG PHE A 49 -9.846 6.215 6.086 1.00 0.00 C ATOM 704 CD1 PHE A 49 -11.143 6.735 6.175 1.00 0.00 C ATOM 705 CD2 PHE A 49 -8.752 7.081 5.958 1.00 0.00 C ATOM 706 CE1 PHE A 49 -11.346 8.121 6.136 1.00 0.00 C ATOM 707 CE2 PHE A 49 -8.956 8.466 5.920 1.00 0.00 C ATOM 708 CZ PHE A 49 -10.253 8.985 6.009 1.00 0.00 C ATOM 0 H PHE A 49 -9.967 2.254 5.977 1.00 0.00 H new ATOM 0 HA PHE A 49 -11.240 4.526 4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -10.064 4.306 7.038 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.562 4.498 6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -11.987 6.068 6.274 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.751 6.680 5.889 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -12.346 8.522 6.204 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.113 9.134 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 49 -10.410 10.053 5.980 1.00 0.00 H new ATOM 718 N VAL A 50 -8.235 3.635 3.645 1.00 0.00 N ATOM 719 CA VAL A 50 -7.328 3.794 2.475 1.00 0.00 C ATOM 720 C VAL A 50 -8.048 3.290 1.226 1.00 0.00 C ATOM 721 O VAL A 50 -7.854 3.794 0.138 1.00 0.00 O ATOM 722 CB VAL A 50 -6.051 2.979 2.694 1.00 0.00 C ATOM 723 CG1 VAL A 50 -5.084 3.226 1.534 1.00 0.00 C ATOM 724 CG2 VAL A 50 -5.389 3.410 4.005 1.00 0.00 C ATOM 0 H VAL A 50 -7.898 3.008 4.376 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.061 4.844 2.355 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.301 1.919 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.174 2.646 1.689 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.553 2.922 0.598 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.835 4.286 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.480 2.830 4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.139 4.470 3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.076 3.238 4.833 1.00 0.00 H new ATOM 734 N SER A 51 -8.888 2.302 1.379 1.00 0.00 N ATOM 735 CA SER A 51 -9.630 1.766 0.206 1.00 0.00 C ATOM 736 C SER A 51 -10.585 2.836 -0.319 1.00 0.00 C ATOM 737 O SER A 51 -10.582 3.162 -1.488 1.00 0.00 O ATOM 738 CB SER A 51 -10.430 0.534 0.630 1.00 0.00 C ATOM 739 OG SER A 51 -11.525 0.358 -0.260 1.00 0.00 O ATOM 0 H SER A 51 -9.091 1.844 2.267 1.00 0.00 H new ATOM 0 HA SER A 51 -8.925 1.489 -0.578 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.792 -0.350 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 51 -10.792 0.654 1.651 1.00 0.00 H new ATOM 0 HG SER A 51 -11.681 -0.599 -0.401 1.00 0.00 H new ATOM 745 N SER A 52 -11.405 3.387 0.535 1.00 0.00 N ATOM 746 CA SER A 52 -12.364 4.436 0.083 1.00 0.00 C ATOM 747 C SER A 52 -11.590 5.646 -0.448 1.00 0.00 C ATOM 748 O SER A 52 -12.098 6.427 -1.229 1.00 0.00 O ATOM 749 CB SER A 52 -13.236 4.870 1.262 1.00 0.00 C ATOM 750 OG SER A 52 -13.848 6.116 0.960 1.00 0.00 O ATOM 0 H SER A 52 -11.452 3.156 1.527 1.00 0.00 H new ATOM 0 HA SER A 52 -12.994 4.032 -0.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.998 4.117 1.462 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.630 4.958 2.164 1.00 0.00 H new ATOM 0 HG SER A 52 -14.409 6.396 1.713 1.00 0.00 H new ATOM 756 N LEU A 53 -10.366 5.809 -0.029 1.00 0.00 N ATOM 757 CA LEU A 53 -9.558 6.966 -0.503 1.00 0.00 C ATOM 758 C LEU A 53 -9.088 6.699 -1.935 1.00 0.00 C ATOM 759 O LEU A 53 -8.797 7.611 -2.682 1.00 0.00 O ATOM 760 CB LEU A 53 -8.347 7.137 0.432 1.00 0.00 C ATOM 761 CG LEU A 53 -7.222 7.917 -0.263 1.00 0.00 C ATOM 762 CD1 LEU A 53 -7.673 9.359 -0.519 1.00 0.00 C ATOM 763 CD2 LEU A 53 -5.989 7.935 0.645 1.00 0.00 C ATOM 0 H LEU A 53 -9.889 5.188 0.624 1.00 0.00 H new ATOM 0 HA LEU A 53 -10.155 7.878 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.653 7.662 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.979 6.158 0.740 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.982 7.437 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.871 9.909 -1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.557 9.356 -1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -7.912 9.839 0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.186 8.488 0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.240 8.418 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.662 6.913 0.835 1.00 0.00 H new ATOM 775 N VAL A 54 -8.993 5.453 -2.312 1.00 0.00 N ATOM 776 CA VAL A 54 -8.519 5.116 -3.687 1.00 0.00 C ATOM 777 C VAL A 54 -9.589 4.317 -4.440 1.00 0.00 C ATOM 778 O VAL A 54 -9.311 3.678 -5.435 1.00 0.00 O ATOM 779 CB VAL A 54 -7.233 4.296 -3.571 1.00 0.00 C ATOM 780 CG1 VAL A 54 -6.226 5.065 -2.714 1.00 0.00 C ATOM 781 CG2 VAL A 54 -7.534 2.951 -2.900 1.00 0.00 C ATOM 0 H VAL A 54 -9.224 4.651 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.326 6.033 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.824 4.122 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.306 4.487 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -6.008 6.025 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.645 5.232 -1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.615 2.371 -2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.942 3.124 -1.904 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.260 2.400 -3.498 1.00 0.00 H new ATOM 791 N LYS A 55 -10.808 4.344 -3.973 1.00 0.00 N ATOM 792 CA LYS A 55 -11.892 3.583 -4.663 1.00 0.00 C ATOM 793 C LYS A 55 -12.528 4.454 -5.752 1.00 0.00 C ATOM 794 O LYS A 55 -13.359 4.001 -6.513 1.00 0.00 O ATOM 795 CB LYS A 55 -12.967 3.189 -3.642 1.00 0.00 C ATOM 796 CG LYS A 55 -13.845 2.063 -4.214 1.00 0.00 C ATOM 797 CD LYS A 55 -15.292 2.234 -3.734 1.00 0.00 C ATOM 798 CE LYS A 55 -15.349 2.085 -2.212 1.00 0.00 C ATOM 799 NZ LYS A 55 -16.739 2.353 -1.742 1.00 0.00 N ATOM 0 H LYS A 55 -11.101 4.860 -3.143 1.00 0.00 H new ATOM 0 HA LYS A 55 -11.467 2.688 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.497 2.860 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.583 4.054 -3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.810 2.080 -5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.460 1.094 -3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -15.670 3.213 -4.028 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.933 1.490 -4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.042 1.080 -1.922 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.653 2.779 -1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.781 2.253 -0.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.015 3.320 -2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.392 1.674 -2.183 1.00 0.00 H new ATOM 896 N SER A 62 -6.851 -0.267 -11.419 1.00 0.00 N ATOM 897 CA SER A 62 -7.571 -1.212 -10.519 1.00 0.00 C ATOM 898 C SER A 62 -6.725 -1.501 -9.280 1.00 0.00 C ATOM 899 O SER A 62 -7.247 -1.736 -8.211 1.00 0.00 O ATOM 900 CB SER A 62 -7.831 -2.518 -11.273 1.00 0.00 C ATOM 901 OG SER A 62 -6.733 -2.790 -12.134 1.00 0.00 O ATOM 0 HA SER A 62 -8.516 -0.767 -10.208 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.967 -3.338 -10.568 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.751 -2.440 -11.852 1.00 0.00 H new ATOM 0 HG SER A 62 -6.316 -1.947 -12.408 1.00 0.00 H new ATOM 907 N TYR A 63 -5.428 -1.500 -9.408 1.00 0.00 N ATOM 908 CA TYR A 63 -4.570 -1.799 -8.223 1.00 0.00 C ATOM 909 C TYR A 63 -3.859 -0.534 -7.743 1.00 0.00 C ATOM 910 O TYR A 63 -3.789 0.461 -8.438 1.00 0.00 O ATOM 911 CB TYR A 63 -3.541 -2.862 -8.597 1.00 0.00 C ATOM 912 CG TYR A 63 -4.213 -4.215 -8.652 1.00 0.00 C ATOM 913 CD1 TYR A 63 -5.183 -4.474 -9.627 1.00 0.00 C ATOM 914 CD2 TYR A 63 -3.866 -5.208 -7.729 1.00 0.00 C ATOM 915 CE1 TYR A 63 -5.805 -5.726 -9.678 1.00 0.00 C ATOM 916 CE2 TYR A 63 -4.489 -6.460 -7.781 1.00 0.00 C ATOM 917 CZ TYR A 63 -5.458 -6.720 -8.756 1.00 0.00 C ATOM 918 OH TYR A 63 -6.071 -7.954 -8.808 1.00 0.00 O ATOM 0 H TYR A 63 -4.926 -1.307 -10.274 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.200 -2.169 -7.414 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.093 -2.627 -9.563 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.733 -2.875 -7.866 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.451 -3.708 -10.339 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -3.117 -5.008 -6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.554 -5.926 -10.430 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -4.222 -7.226 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.396 -8.649 -8.957 1.00 0.00 H new ATOM 928 N VAL A 64 -3.344 -0.569 -6.543 1.00 0.00 N ATOM 929 CA VAL A 64 -2.646 0.623 -5.977 1.00 0.00 C ATOM 930 C VAL A 64 -1.436 0.153 -5.158 1.00 0.00 C ATOM 931 O VAL A 64 -1.461 -0.891 -4.542 1.00 0.00 O ATOM 932 CB VAL A 64 -3.642 1.371 -5.083 1.00 0.00 C ATOM 933 CG1 VAL A 64 -2.994 2.611 -4.470 1.00 0.00 C ATOM 934 CG2 VAL A 64 -4.849 1.793 -5.923 1.00 0.00 C ATOM 0 H VAL A 64 -3.377 -1.380 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.293 1.285 -6.768 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.956 0.709 -4.276 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.719 3.126 -3.840 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.136 2.313 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.664 3.280 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.562 2.326 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.519 2.446 -6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -5.327 0.908 -6.344 1.00 0.00 H new ATOM 944 N TRP A 65 -0.368 0.907 -5.158 1.00 0.00 N ATOM 945 CA TRP A 65 0.844 0.487 -4.387 1.00 0.00 C ATOM 946 C TRP A 65 0.719 0.943 -2.928 1.00 0.00 C ATOM 947 O TRP A 65 0.186 1.999 -2.646 1.00 0.00 O ATOM 948 CB TRP A 65 2.090 1.162 -4.985 1.00 0.00 C ATOM 949 CG TRP A 65 2.888 0.236 -5.856 1.00 0.00 C ATOM 950 CD1 TRP A 65 3.527 0.634 -6.978 1.00 0.00 C ATOM 951 CD2 TRP A 65 3.173 -1.195 -5.714 1.00 0.00 C ATOM 952 NE1 TRP A 65 4.181 -0.444 -7.536 1.00 0.00 N ATOM 953 CE2 TRP A 65 3.989 -1.593 -6.803 1.00 0.00 C ATOM 954 CE3 TRP A 65 2.812 -2.178 -4.771 1.00 0.00 C ATOM 955 CZ2 TRP A 65 4.426 -2.906 -6.948 1.00 0.00 C ATOM 956 CZ3 TRP A 65 3.253 -3.501 -4.920 1.00 0.00 C ATOM 957 CH2 TRP A 65 4.056 -3.865 -6.006 1.00 0.00 C ATOM 0 H TRP A 65 -0.281 1.793 -5.656 1.00 0.00 H new ATOM 0 HA TRP A 65 0.931 -0.598 -4.438 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.783 2.030 -5.569 1.00 0.00 H new ATOM 0 HB3 TRP A 65 2.722 1.529 -4.177 1.00 0.00 H new ATOM 0 HD1 TRP A 65 3.526 1.638 -7.375 1.00 0.00 H new ATOM 0 HE1 TRP A 65 4.739 -0.396 -8.388 1.00 0.00 H new ATOM 0 HE3 TRP A 65 2.192 -1.911 -3.928 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.049 -3.181 -7.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 2.970 -4.245 -4.190 1.00 0.00 H new ATOM 0 HH2 TRP A 65 4.389 -4.887 -6.115 1.00 0.00 H new ATOM 968 N ILE A 66 1.245 0.181 -2.000 1.00 0.00 N ATOM 969 CA ILE A 66 1.197 0.606 -0.570 1.00 0.00 C ATOM 970 C ILE A 66 2.563 0.315 0.063 1.00 0.00 C ATOM 971 O ILE A 66 3.452 -0.204 -0.583 1.00 0.00 O ATOM 972 CB ILE A 66 0.102 -0.148 0.189 1.00 0.00 C ATOM 973 CG1 ILE A 66 0.251 -1.654 -0.022 1.00 0.00 C ATOM 974 CG2 ILE A 66 -1.268 0.295 -0.322 1.00 0.00 C ATOM 975 CD1 ILE A 66 -0.927 -2.376 0.642 1.00 0.00 C ATOM 0 H ILE A 66 1.704 -0.714 -2.172 1.00 0.00 H new ATOM 0 HA ILE A 66 0.968 1.670 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 66 0.194 0.075 1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.279 -1.883 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.192 -2.001 0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.048 -0.241 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.387 1.367 -0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.347 0.076 -1.387 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.825 -3.451 0.494 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.934 -2.156 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.861 -2.035 0.195 1.00 0.00 H new ATOM 987 N GLY A 67 2.755 0.671 1.305 1.00 0.00 N ATOM 988 CA GLY A 67 4.074 0.442 1.952 1.00 0.00 C ATOM 989 C GLY A 67 4.166 -0.963 2.532 1.00 0.00 C ATOM 990 O GLY A 67 4.441 -1.136 3.696 1.00 0.00 O ATOM 0 H GLY A 67 2.052 1.111 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.870 0.590 1.223 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.226 1.176 2.744 1.00 0.00 H new ATOM 994 N LEU A 68 3.971 -1.967 1.727 1.00 0.00 N ATOM 995 CA LEU A 68 4.095 -3.365 2.237 1.00 0.00 C ATOM 996 C LEU A 68 5.081 -4.117 1.343 1.00 0.00 C ATOM 997 O LEU A 68 4.964 -4.107 0.134 1.00 0.00 O ATOM 998 CB LEU A 68 2.730 -4.066 2.206 1.00 0.00 C ATOM 999 CG LEU A 68 2.698 -5.262 3.188 1.00 0.00 C ATOM 1000 CD1 LEU A 68 4.045 -5.986 3.231 1.00 0.00 C ATOM 1001 CD2 LEU A 68 2.365 -4.771 4.596 1.00 0.00 C ATOM 0 H LEU A 68 3.731 -1.884 0.739 1.00 0.00 H new ATOM 0 HA LEU A 68 4.451 -3.351 3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.946 -3.355 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.519 -4.415 1.195 1.00 0.00 H new ATOM 0 HG LEU A 68 1.935 -5.956 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.988 -6.820 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.288 -6.362 2.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.821 -5.293 3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.344 -5.618 5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.123 -4.059 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.389 -4.285 4.591 1.00 0.00 H new ATOM 1013 N HIS A 69 6.052 -4.774 1.922 1.00 0.00 N ATOM 1014 CA HIS A 69 7.035 -5.529 1.100 1.00 0.00 C ATOM 1015 C HIS A 69 7.343 -6.858 1.768 1.00 0.00 C ATOM 1016 O HIS A 69 6.795 -7.193 2.795 1.00 0.00 O ATOM 1017 CB HIS A 69 8.322 -4.717 0.953 1.00 0.00 C ATOM 1018 CG HIS A 69 9.036 -4.679 2.273 1.00 0.00 C ATOM 1019 ND1 HIS A 69 10.242 -5.326 2.486 1.00 0.00 N ATOM 1020 CD2 HIS A 69 8.713 -4.088 3.465 1.00 0.00 C ATOM 1021 CE1 HIS A 69 10.595 -5.109 3.766 1.00 0.00 C ATOM 1022 NE2 HIS A 69 9.698 -4.359 4.409 1.00 0.00 N ATOM 0 H HIS A 69 6.204 -4.818 2.930 1.00 0.00 H new ATOM 0 HA HIS A 69 6.612 -5.710 0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 69 8.963 -5.163 0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 69 8.091 -3.705 0.622 1.00 0.00 H new ATOM 0 HD2 HIS A 69 7.826 -3.499 3.645 1.00 0.00 H new ATOM 0 HE1 HIS A 69 11.496 -5.495 4.219 1.00 0.00 H new ATOM 0 HE2 HIS A 69 9.728 -4.051 5.381 1.00 0.00 H new ATOM 1180 N TRP A 82 6.212 -10.622 5.346 1.00 0.00 N ATOM 1181 CA TRP A 82 5.631 -9.342 4.829 1.00 0.00 C ATOM 1182 C TRP A 82 5.540 -8.302 5.953 1.00 0.00 C ATOM 1183 O TRP A 82 4.871 -8.512 6.945 1.00 0.00 O ATOM 1184 CB TRP A 82 4.225 -9.614 4.260 1.00 0.00 C ATOM 1185 CG TRP A 82 3.784 -10.998 4.621 1.00 0.00 C ATOM 1186 CD1 TRP A 82 4.282 -12.139 4.089 1.00 0.00 C ATOM 1187 CD2 TRP A 82 2.764 -11.405 5.578 1.00 0.00 C ATOM 1188 NE1 TRP A 82 3.635 -13.219 4.661 1.00 0.00 N ATOM 1189 CE2 TRP A 82 2.690 -12.818 5.584 1.00 0.00 C ATOM 1190 CE3 TRP A 82 1.905 -10.693 6.435 1.00 0.00 C ATOM 1191 CZ2 TRP A 82 1.795 -13.501 6.411 1.00 0.00 C ATOM 1192 CZ3 TRP A 82 1.004 -11.375 7.267 1.00 0.00 C ATOM 1193 CH2 TRP A 82 0.949 -12.776 7.254 1.00 0.00 C ATOM 0 HA TRP A 82 6.278 -8.951 4.044 1.00 0.00 H new ATOM 0 HB2 TRP A 82 3.517 -8.884 4.653 1.00 0.00 H new ATOM 0 HB3 TRP A 82 4.234 -9.498 3.176 1.00 0.00 H new ATOM 0 HD1 TRP A 82 5.058 -12.196 3.340 1.00 0.00 H new ATOM 0 HE1 TRP A 82 3.832 -14.193 4.429 1.00 0.00 H new ATOM 0 HE3 TRP A 82 1.939 -9.614 6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 1.757 -14.580 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 0.349 -10.818 7.921 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.252 -13.295 7.896 1.00 0.00 H new ATOM 1204 N GLU A 83 6.204 -7.177 5.806 1.00 0.00 N ATOM 1205 CA GLU A 83 6.141 -6.132 6.875 1.00 0.00 C ATOM 1206 C GLU A 83 5.930 -4.762 6.227 1.00 0.00 C ATOM 1207 O GLU A 83 6.362 -4.522 5.119 1.00 0.00 O ATOM 1208 CB GLU A 83 7.454 -6.130 7.667 1.00 0.00 C ATOM 1209 CG GLU A 83 7.201 -5.623 9.090 1.00 0.00 C ATOM 1210 CD GLU A 83 8.487 -5.743 9.911 1.00 0.00 C ATOM 1211 OE1 GLU A 83 8.950 -6.858 10.089 1.00 0.00 O ATOM 1212 OE2 GLU A 83 8.986 -4.719 10.346 1.00 0.00 O ATOM 0 H GLU A 83 6.781 -6.941 4.999 1.00 0.00 H new ATOM 0 HA GLU A 83 5.314 -6.348 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.872 -7.136 7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.188 -5.496 7.170 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.869 -4.585 9.064 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.404 -6.201 9.557 1.00 0.00 H new ATOM 1219 N TRP A 84 5.276 -3.858 6.906 1.00 0.00 N ATOM 1220 CA TRP A 84 5.053 -2.518 6.317 1.00 0.00 C ATOM 1221 C TRP A 84 6.372 -1.760 6.315 1.00 0.00 C ATOM 1222 O TRP A 84 7.182 -1.905 7.209 1.00 0.00 O ATOM 1223 CB TRP A 84 4.016 -1.768 7.142 1.00 0.00 C ATOM 1224 CG TRP A 84 2.942 -2.723 7.553 1.00 0.00 C ATOM 1225 CD1 TRP A 84 3.007 -3.549 8.621 1.00 0.00 C ATOM 1226 CD2 TRP A 84 1.654 -2.978 6.919 1.00 0.00 C ATOM 1227 NE1 TRP A 84 1.844 -4.293 8.684 1.00 0.00 N ATOM 1228 CE2 TRP A 84 0.979 -3.977 7.656 1.00 0.00 C ATOM 1229 CE3 TRP A 84 1.013 -2.443 5.786 1.00 0.00 C ATOM 1230 CZ2 TRP A 84 -0.284 -4.434 7.286 1.00 0.00 C ATOM 1231 CZ3 TRP A 84 -0.259 -2.903 5.409 1.00 0.00 C ATOM 1232 CH2 TRP A 84 -0.906 -3.896 6.158 1.00 0.00 C ATOM 0 H TRP A 84 4.890 -3.994 7.840 1.00 0.00 H new ATOM 0 HA TRP A 84 4.686 -2.611 5.295 1.00 0.00 H new ATOM 0 HB2 TRP A 84 4.483 -1.324 8.021 1.00 0.00 H new ATOM 0 HB3 TRP A 84 3.591 -0.950 6.560 1.00 0.00 H new ATOM 0 HD1 TRP A 84 3.834 -3.617 9.313 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.649 -4.990 9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.502 -1.675 5.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -0.778 -5.198 7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.742 -2.489 4.536 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -1.885 -4.244 5.863 1.00 0.00 H new ATOM 1243 N SER A 85 6.614 -0.978 5.308 1.00 0.00 N ATOM 1244 CA SER A 85 7.910 -0.249 5.252 1.00 0.00 C ATOM 1245 C SER A 85 7.885 1.005 6.119 1.00 0.00 C ATOM 1246 O SER A 85 8.860 1.725 6.200 1.00 0.00 O ATOM 1247 CB SER A 85 8.234 0.126 3.805 1.00 0.00 C ATOM 1248 OG SER A 85 9.209 1.159 3.795 1.00 0.00 O ATOM 0 H SER A 85 5.980 -0.811 4.527 1.00 0.00 H new ATOM 0 HA SER A 85 8.684 -0.911 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.605 -0.745 3.266 1.00 0.00 H new ATOM 0 HB3 SER A 85 7.331 0.457 3.292 1.00 0.00 H new ATOM 0 HG SER A 85 9.554 1.292 4.702 1.00 0.00 H new ATOM 1288 N VAL A 89 5.593 -4.008 12.849 1.00 0.00 N ATOM 1289 CA VAL A 89 5.458 -5.468 12.599 1.00 0.00 C ATOM 1290 C VAL A 89 4.023 -5.763 12.162 1.00 0.00 C ATOM 1291 O VAL A 89 3.098 -5.066 12.529 1.00 0.00 O ATOM 1292 CB VAL A 89 5.772 -6.238 13.882 1.00 0.00 C ATOM 1293 CG1 VAL A 89 4.812 -5.801 14.990 1.00 0.00 C ATOM 1294 CG2 VAL A 89 5.606 -7.739 13.628 1.00 0.00 C ATOM 0 HA VAL A 89 6.153 -5.776 11.818 1.00 0.00 H new ATOM 0 HB VAL A 89 6.797 -6.030 14.188 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.037 -6.351 15.904 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.928 -4.732 15.171 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.786 -6.008 14.685 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.830 -8.290 14.542 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.580 -7.945 13.322 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.290 -8.052 12.839 1.00 0.00 H new ATOM 1304 N MET A 90 3.825 -6.785 11.378 1.00 0.00 N ATOM 1305 CA MET A 90 2.448 -7.116 10.916 1.00 0.00 C ATOM 1306 C MET A 90 1.478 -7.058 12.099 1.00 0.00 C ATOM 1307 O MET A 90 1.356 -8.000 12.857 1.00 0.00 O ATOM 1308 CB MET A 90 2.437 -8.525 10.320 1.00 0.00 C ATOM 1309 CG MET A 90 3.419 -8.591 9.148 1.00 0.00 C ATOM 1310 SD MET A 90 3.742 -10.321 8.722 1.00 0.00 S ATOM 1311 CE MET A 90 4.632 -10.779 10.231 1.00 0.00 C ATOM 0 H MET A 90 4.558 -7.407 11.036 1.00 0.00 H new ATOM 0 HA MET A 90 2.139 -6.395 10.159 1.00 0.00 H new ATOM 0 HB2 MET A 90 2.713 -9.255 11.081 1.00 0.00 H new ATOM 0 HB3 MET A 90 1.433 -8.781 9.982 1.00 0.00 H new ATOM 0 HG2 MET A 90 3.008 -8.064 8.286 1.00 0.00 H new ATOM 0 HG3 MET A 90 4.351 -8.091 9.413 1.00 0.00 H new ATOM 0 HE1 MET A 90 5.539 -11.322 9.967 1.00 0.00 H new ATOM 0 HE2 MET A 90 4.896 -9.878 10.785 1.00 0.00 H new ATOM 0 HE3 MET A 90 3.997 -11.413 10.850 1.00 0.00 H new ATOM 1321 N ASN A 91 0.777 -5.962 12.260 1.00 0.00 N ATOM 1322 CA ASN A 91 -0.191 -5.855 13.390 1.00 0.00 C ATOM 1323 C ASN A 91 -1.602 -6.081 12.848 1.00 0.00 C ATOM 1324 O ASN A 91 -2.550 -6.234 13.593 1.00 0.00 O ATOM 1325 CB ASN A 91 -0.091 -4.458 14.027 1.00 0.00 C ATOM 1326 CG ASN A 91 -0.056 -4.585 15.553 1.00 0.00 C ATOM 1327 OD1 ASN A 91 -0.708 -5.439 16.119 1.00 0.00 O ATOM 1328 ND2 ASN A 91 0.685 -3.764 16.247 1.00 0.00 N ATOM 0 H ASN A 91 0.835 -5.140 11.658 1.00 0.00 H new ATOM 0 HA ASN A 91 0.037 -6.603 14.149 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.807 -3.951 13.674 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.942 -3.848 13.723 1.00 0.00 H new ATOM 0 HD21 ASN A 91 0.716 -3.840 17.264 1.00 0.00 H new ATOM 0 HD22 ASN A 91 1.233 -3.046 15.772 1.00 0.00 H new ATOM 1335 N TYR A 92 -1.743 -6.108 11.548 1.00 0.00 N ATOM 1336 CA TYR A 92 -3.084 -6.333 10.939 1.00 0.00 C ATOM 1337 C TYR A 92 -2.950 -7.349 9.802 1.00 0.00 C ATOM 1338 O TYR A 92 -1.875 -7.560 9.275 1.00 0.00 O ATOM 1339 CB TYR A 92 -3.627 -5.009 10.395 1.00 0.00 C ATOM 1340 CG TYR A 92 -4.986 -5.228 9.763 1.00 0.00 C ATOM 1341 CD1 TYR A 92 -6.028 -5.796 10.508 1.00 0.00 C ATOM 1342 CD2 TYR A 92 -5.202 -4.861 8.429 1.00 0.00 C ATOM 1343 CE1 TYR A 92 -7.281 -5.999 9.918 1.00 0.00 C ATOM 1344 CE2 TYR A 92 -6.455 -5.063 7.840 1.00 0.00 C ATOM 1345 CZ TYR A 92 -7.495 -5.633 8.584 1.00 0.00 C ATOM 1346 OH TYR A 92 -8.731 -5.833 8.004 1.00 0.00 O ATOM 0 H TYR A 92 -0.982 -5.983 10.880 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.774 -6.717 11.691 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.705 -4.280 11.201 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.936 -4.598 9.659 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -5.864 -6.077 11.538 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.400 -4.421 7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.083 -6.438 10.492 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.620 -4.779 6.811 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.710 -5.523 7.074 1.00 0.00 H new ATOM 1356 N PHE A 93 -4.025 -7.993 9.425 1.00 0.00 N ATOM 1357 CA PHE A 93 -3.945 -9.006 8.328 1.00 0.00 C ATOM 1358 C PHE A 93 -5.104 -8.810 7.347 1.00 0.00 C ATOM 1359 O PHE A 93 -6.216 -8.512 7.734 1.00 0.00 O ATOM 1360 CB PHE A 93 -4.022 -10.412 8.933 1.00 0.00 C ATOM 1361 CG PHE A 93 -3.352 -10.419 10.287 1.00 0.00 C ATOM 1362 CD1 PHE A 93 -1.956 -10.455 10.376 1.00 0.00 C ATOM 1363 CD2 PHE A 93 -4.127 -10.387 11.452 1.00 0.00 C ATOM 1364 CE1 PHE A 93 -1.334 -10.460 11.631 1.00 0.00 C ATOM 1365 CE2 PHE A 93 -3.506 -10.392 12.707 1.00 0.00 C ATOM 1366 CZ PHE A 93 -2.109 -10.429 12.796 1.00 0.00 C ATOM 0 H PHE A 93 -4.953 -7.862 9.828 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.003 -8.883 7.794 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.063 -10.721 9.030 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -3.537 -11.130 8.272 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.358 -10.479 9.477 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.204 -10.358 11.383 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.257 -10.488 11.700 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.104 -10.367 13.606 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.630 -10.434 13.764 1.00 0.00 H new ATOM 1376 N ALA A 94 -4.849 -8.983 6.077 1.00 0.00 N ATOM 1377 CA ALA A 94 -5.933 -8.817 5.065 1.00 0.00 C ATOM 1378 C ALA A 94 -5.400 -9.201 3.678 1.00 0.00 C ATOM 1379 O ALA A 94 -5.883 -8.735 2.665 1.00 0.00 O ATOM 1380 CB ALA A 94 -6.407 -7.357 5.056 1.00 0.00 C ATOM 0 H ALA A 94 -3.936 -9.232 5.697 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.773 -9.464 5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.199 -7.236 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.788 -7.092 6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.571 -6.705 4.803 1.00 0.00 H new ATOM 1386 N TRP A 95 -4.409 -10.049 3.625 1.00 0.00 N ATOM 1387 CA TRP A 95 -3.851 -10.462 2.307 1.00 0.00 C ATOM 1388 C TRP A 95 -4.832 -11.415 1.618 1.00 0.00 C ATOM 1389 O TRP A 95 -5.518 -12.184 2.260 1.00 0.00 O ATOM 1390 CB TRP A 95 -2.512 -11.172 2.523 1.00 0.00 C ATOM 1391 CG TRP A 95 -2.603 -12.049 3.729 1.00 0.00 C ATOM 1392 CD1 TRP A 95 -2.151 -11.722 4.963 1.00 0.00 C ATOM 1393 CD2 TRP A 95 -3.172 -13.385 3.843 1.00 0.00 C ATOM 1394 NE1 TRP A 95 -2.407 -12.773 5.825 1.00 0.00 N ATOM 1395 CE2 TRP A 95 -3.034 -13.822 5.182 1.00 0.00 C ATOM 1396 CE3 TRP A 95 -3.787 -14.253 2.922 1.00 0.00 C ATOM 1397 CZ2 TRP A 95 -3.492 -15.075 5.593 1.00 0.00 C ATOM 1398 CZ3 TRP A 95 -4.248 -15.514 3.334 1.00 0.00 C ATOM 1399 CH2 TRP A 95 -4.100 -15.925 4.667 1.00 0.00 C ATOM 0 H TRP A 95 -3.962 -10.473 4.438 1.00 0.00 H new ATOM 0 HA TRP A 95 -3.698 -9.583 1.681 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.258 -11.767 1.646 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.716 -10.439 2.652 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -1.670 -10.793 5.230 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.162 -12.773 6.815 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.905 -13.948 1.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -3.377 -15.385 6.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.720 -16.172 2.619 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.456 -16.897 4.976 1.00 0.00 H new ATOM 1410 N GLU A 96 -4.902 -11.370 0.316 1.00 0.00 N ATOM 1411 CA GLU A 96 -5.840 -12.275 -0.409 1.00 0.00 C ATOM 1412 C GLU A 96 -5.377 -13.724 -0.251 1.00 0.00 C ATOM 1413 O GLU A 96 -6.142 -14.594 0.117 1.00 0.00 O ATOM 1414 CB GLU A 96 -5.863 -11.904 -1.894 1.00 0.00 C ATOM 1415 CG GLU A 96 -7.004 -12.648 -2.589 1.00 0.00 C ATOM 1416 CD GLU A 96 -8.344 -12.071 -2.129 1.00 0.00 C ATOM 1417 OE1 GLU A 96 -8.582 -10.902 -2.385 1.00 0.00 O ATOM 1418 OE2 GLU A 96 -9.110 -12.808 -1.529 1.00 0.00 O ATOM 0 H GLU A 96 -4.352 -10.748 -0.276 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.842 -12.168 0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.993 -10.828 -2.009 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -4.911 -12.161 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.908 -12.554 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.954 -13.712 -2.355 1.00 0.00 H new ATOM 1564 N HIS A 107 7.813 -9.079 -4.078 1.00 0.00 N ATOM 1565 CA HIS A 107 8.256 -8.611 -2.733 1.00 0.00 C ATOM 1566 C HIS A 107 7.567 -7.286 -2.398 1.00 0.00 C ATOM 1567 O HIS A 107 8.081 -6.476 -1.651 1.00 0.00 O ATOM 1568 CB HIS A 107 9.775 -8.419 -2.726 1.00 0.00 C ATOM 1569 CG HIS A 107 10.436 -9.616 -3.355 1.00 0.00 C ATOM 1570 ND1 HIS A 107 11.779 -9.632 -3.686 1.00 0.00 N ATOM 1571 CD2 HIS A 107 9.951 -10.847 -3.718 1.00 0.00 C ATOM 1572 CE1 HIS A 107 12.048 -10.836 -4.220 1.00 0.00 C ATOM 1573 NE2 HIS A 107 10.969 -11.614 -4.263 1.00 0.00 N ATOM 0 HA HIS A 107 7.986 -9.357 -1.986 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.040 -7.514 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.131 -8.289 -1.704 1.00 0.00 H new ATOM 0 HD2 HIS A 107 8.928 -11.171 -3.597 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.024 -11.136 -4.572 1.00 0.00 H new ATOM 0 HE2 HIS A 107 10.905 -12.568 -4.620 1.00 0.00 H new ATOM 1581 N CYS A 108 6.399 -7.062 -2.940 1.00 0.00 N ATOM 1582 CA CYS A 108 5.665 -5.795 -2.650 1.00 0.00 C ATOM 1583 C CYS A 108 4.159 -6.050 -2.752 1.00 0.00 C ATOM 1584 O CYS A 108 3.707 -6.793 -3.600 1.00 0.00 O ATOM 1585 CB CYS A 108 6.080 -4.720 -3.655 1.00 0.00 C ATOM 1586 SG CYS A 108 7.730 -4.115 -3.230 1.00 0.00 S ATOM 0 H CYS A 108 5.921 -7.703 -3.573 1.00 0.00 H new ATOM 0 HA CYS A 108 5.907 -5.453 -1.644 1.00 0.00 H new ATOM 0 HB2 CYS A 108 6.079 -5.130 -4.665 1.00 0.00 H new ATOM 0 HB3 CYS A 108 5.364 -3.898 -3.643 1.00 0.00 H new ATOM 1591 N ALA A 109 3.380 -5.452 -1.886 1.00 0.00 N ATOM 1592 CA ALA A 109 1.901 -5.679 -1.929 1.00 0.00 C ATOM 1593 C ALA A 109 1.175 -4.425 -2.434 1.00 0.00 C ATOM 1594 O ALA A 109 1.619 -3.303 -2.259 1.00 0.00 O ATOM 1595 CB ALA A 109 1.395 -6.039 -0.527 1.00 0.00 C ATOM 0 H ALA A 109 3.701 -4.819 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 109 1.694 -6.500 -2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.318 -6.204 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.891 -6.947 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.616 -5.222 0.160 1.00 0.00 H new ATOM 1601 N SER A 110 0.051 -4.631 -3.066 1.00 0.00 N ATOM 1602 CA SER A 110 -0.754 -3.502 -3.610 1.00 0.00 C ATOM 1603 C SER A 110 -2.234 -3.807 -3.368 1.00 0.00 C ATOM 1604 O SER A 110 -2.603 -4.924 -3.068 1.00 0.00 O ATOM 1605 CB SER A 110 -0.503 -3.371 -5.118 1.00 0.00 C ATOM 1606 OG SER A 110 -0.083 -4.628 -5.634 1.00 0.00 O ATOM 0 H SER A 110 -0.350 -5.554 -3.231 1.00 0.00 H new ATOM 0 HA SER A 110 -0.473 -2.570 -3.119 1.00 0.00 H new ATOM 0 HB2 SER A 110 -1.412 -3.043 -5.623 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.258 -2.614 -5.308 1.00 0.00 H new ATOM 0 HG SER A 110 0.077 -4.549 -6.598 1.00 0.00 H new ATOM 1612 N LEU A 111 -3.085 -2.832 -3.501 1.00 0.00 N ATOM 1613 CA LEU A 111 -4.535 -3.087 -3.285 1.00 0.00 C ATOM 1614 C LEU A 111 -5.128 -3.610 -4.594 1.00 0.00 C ATOM 1615 O LEU A 111 -4.638 -3.315 -5.663 1.00 0.00 O ATOM 1616 CB LEU A 111 -5.236 -1.780 -2.895 1.00 0.00 C ATOM 1617 CG LEU A 111 -4.705 -1.274 -1.540 1.00 0.00 C ATOM 1618 CD1 LEU A 111 -4.354 0.214 -1.635 1.00 0.00 C ATOM 1619 CD2 LEU A 111 -5.781 -1.455 -0.466 1.00 0.00 C ATOM 0 H LEU A 111 -2.842 -1.873 -3.749 1.00 0.00 H new ATOM 0 HA LEU A 111 -4.674 -3.816 -2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.068 -1.026 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.312 -1.940 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 111 -3.814 -1.845 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.980 0.562 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -3.587 0.359 -2.396 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -5.245 0.781 -1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.403 -1.096 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.669 -0.887 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.038 -2.511 -0.382 1.00 0.00 H new ATOM 1631 N SER A 112 -6.162 -4.400 -4.516 1.00 0.00 N ATOM 1632 CA SER A 112 -6.782 -4.963 -5.756 1.00 0.00 C ATOM 1633 C SER A 112 -8.236 -4.502 -5.861 1.00 0.00 C ATOM 1634 O SER A 112 -9.064 -4.838 -5.038 1.00 0.00 O ATOM 1635 CB SER A 112 -6.742 -6.490 -5.690 1.00 0.00 C ATOM 1636 OG SER A 112 -7.717 -6.946 -4.764 1.00 0.00 O ATOM 0 H SER A 112 -6.609 -4.683 -3.644 1.00 0.00 H new ATOM 0 HA SER A 112 -6.228 -4.615 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 112 -6.934 -6.913 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.751 -6.826 -5.387 1.00 0.00 H new ATOM 0 HG SER A 112 -8.518 -6.386 -4.831 1.00 0.00 H new ATOM 1642 N ARG A 113 -8.554 -3.733 -6.865 1.00 0.00 N ATOM 1643 CA ARG A 113 -9.961 -3.253 -7.016 1.00 0.00 C ATOM 1644 C ARG A 113 -10.915 -4.451 -6.997 1.00 0.00 C ATOM 1645 O ARG A 113 -12.007 -4.376 -6.468 1.00 0.00 O ATOM 1646 CB ARG A 113 -10.110 -2.507 -8.345 1.00 0.00 C ATOM 1647 CG ARG A 113 -11.584 -2.170 -8.589 1.00 0.00 C ATOM 1648 CD ARG A 113 -11.703 -1.256 -9.810 1.00 0.00 C ATOM 1649 NE ARG A 113 -11.384 -2.032 -11.042 1.00 0.00 N ATOM 1650 CZ ARG A 113 -11.645 -1.528 -12.217 1.00 0.00 C ATOM 1651 NH1 ARG A 113 -12.843 -1.638 -12.722 1.00 0.00 N ATOM 1652 NH2 ARG A 113 -10.710 -0.913 -12.886 1.00 0.00 N ATOM 0 H ARG A 113 -7.906 -3.416 -7.586 1.00 0.00 H new ATOM 0 HA ARG A 113 -10.203 -2.581 -6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -9.517 -1.593 -8.328 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -9.728 -3.120 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -12.155 -3.084 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.006 -1.680 -7.712 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.711 -0.847 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.022 -0.410 -9.713 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.962 -2.957 -10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -13.575 -2.118 -12.198 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -13.047 -1.244 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.774 -0.826 -12.491 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -10.915 -0.519 -13.804 1.00 0.00 H new ATOM 1666 N SER A 114 -10.517 -5.550 -7.574 1.00 0.00 N ATOM 1667 CA SER A 114 -11.405 -6.747 -7.595 1.00 0.00 C ATOM 1668 C SER A 114 -11.790 -7.135 -6.165 1.00 0.00 C ATOM 1669 O SER A 114 -12.696 -7.915 -5.948 1.00 0.00 O ATOM 1670 CB SER A 114 -10.671 -7.913 -8.258 1.00 0.00 C ATOM 1671 OG SER A 114 -9.742 -8.468 -7.335 1.00 0.00 O ATOM 0 H SER A 114 -9.614 -5.672 -8.033 1.00 0.00 H new ATOM 0 HA SER A 114 -12.308 -6.514 -8.159 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.384 -8.674 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 114 -10.152 -7.570 -9.153 1.00 0.00 H new ATOM 0 HG SER A 114 -9.271 -9.217 -7.756 1.00 0.00 H new ATOM 1677 N THR A 115 -11.108 -6.598 -5.187 1.00 0.00 N ATOM 1678 CA THR A 115 -11.430 -6.937 -3.766 1.00 0.00 C ATOM 1679 C THR A 115 -11.846 -5.666 -3.021 1.00 0.00 C ATOM 1680 O THR A 115 -11.662 -5.546 -1.826 1.00 0.00 O ATOM 1681 CB THR A 115 -10.192 -7.537 -3.093 1.00 0.00 C ATOM 1682 OG1 THR A 115 -9.182 -6.545 -2.990 1.00 0.00 O ATOM 1683 CG2 THR A 115 -9.673 -8.717 -3.923 1.00 0.00 C ATOM 0 H THR A 115 -10.340 -5.938 -5.310 1.00 0.00 H new ATOM 0 HA THR A 115 -12.246 -7.659 -3.740 1.00 0.00 H new ATOM 0 HB THR A 115 -10.457 -7.889 -2.096 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.339 -6.898 -3.345 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.792 -9.141 -3.441 1.00 0.00 H new ATOM 0 HG22 THR A 115 -10.449 -9.479 -3.997 1.00 0.00 H new ATOM 0 HG23 THR A 115 -9.409 -8.371 -4.922 1.00 0.00 H new ATOM 1691 N ALA A 116 -12.402 -4.714 -3.721 1.00 0.00 N ATOM 1692 CA ALA A 116 -12.827 -3.448 -3.059 1.00 0.00 C ATOM 1693 C ALA A 116 -11.611 -2.781 -2.415 1.00 0.00 C ATOM 1694 O ALA A 116 -11.728 -2.038 -1.462 1.00 0.00 O ATOM 1695 CB ALA A 116 -13.873 -3.756 -1.983 1.00 0.00 C ATOM 0 H ALA A 116 -12.580 -4.759 -4.724 1.00 0.00 H new ATOM 0 HA ALA A 116 -13.261 -2.777 -3.801 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -14.182 -2.829 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -14.739 -4.232 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -13.443 -4.427 -1.239 1.00 0.00 H new ATOM 1701 N PHE A 117 -10.444 -3.043 -2.933 1.00 0.00 N ATOM 1702 CA PHE A 117 -9.212 -2.430 -2.363 1.00 0.00 C ATOM 1703 C PHE A 117 -9.104 -2.787 -0.881 1.00 0.00 C ATOM 1704 O PHE A 117 -8.443 -2.112 -0.117 1.00 0.00 O ATOM 1705 CB PHE A 117 -9.271 -0.907 -2.514 1.00 0.00 C ATOM 1706 CG PHE A 117 -9.668 -0.551 -3.927 1.00 0.00 C ATOM 1707 CD1 PHE A 117 -8.692 -0.437 -4.922 1.00 0.00 C ATOM 1708 CD2 PHE A 117 -11.015 -0.330 -4.239 1.00 0.00 C ATOM 1709 CE1 PHE A 117 -9.061 -0.102 -6.229 1.00 0.00 C ATOM 1710 CE2 PHE A 117 -11.384 0.004 -5.546 1.00 0.00 C ATOM 1711 CZ PHE A 117 -10.407 0.119 -6.542 1.00 0.00 C ATOM 0 H PHE A 117 -10.290 -3.659 -3.731 1.00 0.00 H new ATOM 0 HA PHE A 117 -8.342 -2.812 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.989 -0.489 -1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -8.301 -0.471 -2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -7.653 -0.608 -4.681 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -11.769 -0.417 -3.471 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.307 -0.014 -6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -12.423 0.173 -5.787 1.00 0.00 H new ATOM 0 HZ PHE A 117 -10.692 0.378 -7.551 1.00 0.00 H new ATOM 1721 N LEU A 118 -9.748 -3.842 -0.468 1.00 0.00 N ATOM 1722 CA LEU A 118 -9.687 -4.245 0.965 1.00 0.00 C ATOM 1723 C LEU A 118 -8.638 -5.346 1.145 1.00 0.00 C ATOM 1724 O LEU A 118 -8.092 -5.525 2.215 1.00 0.00 O ATOM 1725 CB LEU A 118 -11.057 -4.770 1.403 1.00 0.00 C ATOM 1726 CG LEU A 118 -12.055 -3.610 1.503 1.00 0.00 C ATOM 1727 CD1 LEU A 118 -13.444 -4.166 1.826 1.00 0.00 C ATOM 1728 CD2 LEU A 118 -11.623 -2.635 2.610 1.00 0.00 C ATOM 0 H LEU A 118 -10.316 -4.445 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 118 -9.414 -3.383 1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -11.417 -5.510 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.972 -5.272 2.367 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.082 -3.077 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -14.157 -3.345 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.756 -4.849 1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.410 -4.701 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -12.339 -1.815 2.672 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.589 -3.160 3.564 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -10.635 -2.237 2.379 1.00 0.00 H new ATOM 1740 N ARG A 119 -8.354 -6.086 0.107 1.00 0.00 N ATOM 1741 CA ARG A 119 -7.342 -7.176 0.217 1.00 0.00 C ATOM 1742 C ARG A 119 -6.007 -6.697 -0.355 1.00 0.00 C ATOM 1743 O ARG A 119 -5.923 -5.645 -0.959 1.00 0.00 O ATOM 1744 CB ARG A 119 -7.822 -8.396 -0.570 1.00 0.00 C ATOM 1745 CG ARG A 119 -9.104 -8.948 0.064 1.00 0.00 C ATOM 1746 CD ARG A 119 -8.802 -9.502 1.461 1.00 0.00 C ATOM 1747 NE ARG A 119 -9.759 -10.600 1.773 1.00 0.00 N ATOM 1748 CZ ARG A 119 -9.442 -11.512 2.652 1.00 0.00 C ATOM 1749 NH1 ARG A 119 -8.632 -11.220 3.632 1.00 0.00 N ATOM 1750 NH2 ARG A 119 -9.935 -12.716 2.551 1.00 0.00 N ATOM 0 H ARG A 119 -8.780 -5.982 -0.814 1.00 0.00 H new ATOM 0 HA ARG A 119 -7.212 -7.444 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -8.007 -8.121 -1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -7.048 -9.164 -0.577 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -9.855 -8.161 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -9.521 -9.734 -0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -7.778 -9.873 1.504 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -8.885 -8.710 2.205 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.662 -10.639 1.300 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -8.246 -10.279 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.384 -11.933 4.319 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -10.568 -12.945 1.785 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.687 -13.428 3.238 1.00 0.00 H new ATOM 1764 N TRP A 120 -4.960 -7.459 -0.167 1.00 0.00 N ATOM 1765 CA TRP A 120 -3.621 -7.051 -0.695 1.00 0.00 C ATOM 1766 C TRP A 120 -3.095 -8.123 -1.652 1.00 0.00 C ATOM 1767 O TRP A 120 -3.167 -9.303 -1.374 1.00 0.00 O ATOM 1768 CB TRP A 120 -2.637 -6.898 0.467 1.00 0.00 C ATOM 1769 CG TRP A 120 -3.279 -6.127 1.573 1.00 0.00 C ATOM 1770 CD1 TRP A 120 -4.057 -5.033 1.410 1.00 0.00 C ATOM 1771 CD2 TRP A 120 -3.207 -6.370 3.007 1.00 0.00 C ATOM 1772 NE1 TRP A 120 -4.469 -4.589 2.655 1.00 0.00 N ATOM 1773 CE2 TRP A 120 -3.971 -5.382 3.671 1.00 0.00 C ATOM 1774 CE3 TRP A 120 -2.560 -7.345 3.787 1.00 0.00 C ATOM 1775 CZ2 TRP A 120 -4.087 -5.362 5.061 1.00 0.00 C ATOM 1776 CZ3 TRP A 120 -2.675 -7.327 5.185 1.00 0.00 C ATOM 1777 CH2 TRP A 120 -3.437 -6.338 5.822 1.00 0.00 C ATOM 0 H TRP A 120 -4.974 -8.349 0.331 1.00 0.00 H new ATOM 0 HA TRP A 120 -3.721 -6.103 -1.224 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -2.329 -7.880 0.827 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -1.737 -6.385 0.128 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -4.315 -4.580 0.464 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -5.067 -3.776 2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -1.971 -8.112 3.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.675 -4.597 5.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -2.173 -8.080 5.774 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -3.522 -6.330 6.899 1.00 0.00 H new ATOM 1788 N LYS A 121 -2.555 -7.719 -2.773 1.00 0.00 N ATOM 1789 CA LYS A 121 -2.006 -8.710 -3.750 1.00 0.00 C ATOM 1790 C LYS A 121 -0.526 -8.426 -3.976 1.00 0.00 C ATOM 1791 O LYS A 121 -0.082 -7.295 -3.916 1.00 0.00 O ATOM 1792 CB LYS A 121 -2.761 -8.604 -5.077 1.00 0.00 C ATOM 1793 CG LYS A 121 -2.485 -9.851 -5.921 1.00 0.00 C ATOM 1794 CD LYS A 121 -3.026 -9.643 -7.337 1.00 0.00 C ATOM 1795 CE LYS A 121 -2.657 -10.845 -8.208 1.00 0.00 C ATOM 1796 NZ LYS A 121 -1.217 -10.764 -8.581 1.00 0.00 N ATOM 0 H LYS A 121 -2.470 -6.743 -3.056 1.00 0.00 H new ATOM 0 HA LYS A 121 -2.128 -9.718 -3.352 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -3.831 -8.506 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -2.447 -7.710 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -1.414 -10.049 -5.956 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -2.956 -10.722 -5.465 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -4.109 -9.520 -7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -2.612 -8.730 -7.765 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.853 -11.772 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -3.276 -10.861 -9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.013 -11.457 -9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.001 -9.807 -8.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -0.630 -10.972 -7.748 1.00 0.00 H new ATOM 1810 N ASP A 122 0.247 -9.445 -4.223 1.00 0.00 N ATOM 1811 CA ASP A 122 1.701 -9.236 -4.436 1.00 0.00 C ATOM 1812 C ASP A 122 1.953 -8.739 -5.863 1.00 0.00 C ATOM 1813 O ASP A 122 1.210 -9.038 -6.775 1.00 0.00 O ATOM 1814 CB ASP A 122 2.444 -10.554 -4.216 1.00 0.00 C ATOM 1815 CG ASP A 122 2.019 -11.165 -2.879 1.00 0.00 C ATOM 1816 OD1 ASP A 122 0.849 -11.483 -2.741 1.00 0.00 O ATOM 1817 OD2 ASP A 122 2.869 -11.302 -2.016 1.00 0.00 O ATOM 0 H ASP A 122 -0.067 -10.413 -4.286 1.00 0.00 H new ATOM 0 HA ASP A 122 2.063 -8.490 -3.728 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.226 -11.246 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.520 -10.382 -4.223 1.00 0.00 H new ATOM 1822 N TYR A 123 3.001 -7.983 -6.060 1.00 0.00 N ATOM 1823 CA TYR A 123 3.305 -7.469 -7.429 1.00 0.00 C ATOM 1824 C TYR A 123 4.801 -7.140 -7.527 1.00 0.00 C ATOM 1825 O TYR A 123 5.467 -6.929 -6.532 1.00 0.00 O ATOM 1826 CB TYR A 123 2.465 -6.206 -7.693 1.00 0.00 C ATOM 1827 CG TYR A 123 1.533 -6.446 -8.859 1.00 0.00 C ATOM 1828 CD1 TYR A 123 0.254 -6.970 -8.636 1.00 0.00 C ATOM 1829 CD2 TYR A 123 1.949 -6.144 -10.161 1.00 0.00 C ATOM 1830 CE1 TYR A 123 -0.609 -7.191 -9.717 1.00 0.00 C ATOM 1831 CE2 TYR A 123 1.086 -6.366 -11.241 1.00 0.00 C ATOM 1832 CZ TYR A 123 -0.192 -6.889 -11.019 1.00 0.00 C ATOM 1833 OH TYR A 123 -1.043 -7.108 -12.084 1.00 0.00 O ATOM 0 H TYR A 123 3.659 -7.699 -5.334 1.00 0.00 H new ATOM 0 HA TYR A 123 3.058 -8.225 -8.175 1.00 0.00 H new ATOM 0 HB2 TYR A 123 1.890 -5.948 -6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 123 3.119 -5.361 -7.906 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -0.067 -7.204 -7.632 1.00 0.00 H new ATOM 0 HD2 TYR A 123 2.936 -5.740 -10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -1.596 -7.594 -9.546 1.00 0.00 H new ATOM 0 HE2 TYR A 123 1.407 -6.133 -12.246 1.00 0.00 H new ATOM 0 HH TYR A 123 -0.599 -6.844 -12.917 1.00 0.00 H new ATOM 1843 N ASN A 124 5.335 -7.103 -8.719 1.00 0.00 N ATOM 1844 CA ASN A 124 6.789 -6.796 -8.882 1.00 0.00 C ATOM 1845 C ASN A 124 7.098 -5.422 -8.280 1.00 0.00 C ATOM 1846 O ASN A 124 6.586 -4.414 -8.717 1.00 0.00 O ATOM 1847 CB ASN A 124 7.145 -6.793 -10.370 1.00 0.00 C ATOM 1848 CG ASN A 124 7.187 -8.232 -10.888 1.00 0.00 C ATOM 1849 OD1 ASN A 124 7.965 -9.038 -10.416 1.00 0.00 O ATOM 1850 ND2 ASN A 124 6.377 -8.591 -11.845 1.00 0.00 N ATOM 0 H ASN A 124 4.828 -7.272 -9.588 1.00 0.00 H new ATOM 0 HA ASN A 124 7.378 -7.555 -8.367 1.00 0.00 H new ATOM 0 HB2 ASN A 124 6.409 -6.215 -10.930 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.111 -6.312 -10.523 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.396 -9.548 -12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 124 5.724 -7.915 -12.241 1.00 0.00 H new ATOM 1857 N CYS A 125 7.930 -5.386 -7.276 1.00 0.00 N ATOM 1858 CA CYS A 125 8.279 -4.088 -6.625 1.00 0.00 C ATOM 1859 C CYS A 125 8.661 -3.034 -7.669 1.00 0.00 C ATOM 1860 O CYS A 125 8.890 -1.888 -7.335 1.00 0.00 O ATOM 1861 CB CYS A 125 9.470 -4.298 -5.688 1.00 0.00 C ATOM 1862 SG CYS A 125 8.968 -5.314 -4.280 1.00 0.00 S ATOM 0 H CYS A 125 8.387 -6.205 -6.875 1.00 0.00 H new ATOM 0 HA CYS A 125 7.408 -3.739 -6.071 1.00 0.00 H new ATOM 0 HB2 CYS A 125 10.286 -4.782 -6.225 1.00 0.00 H new ATOM 0 HB3 CYS A 125 9.844 -3.336 -5.339 1.00 0.00 H new ATOM 1867 N ASN A 126 8.757 -3.400 -8.920 1.00 0.00 N ATOM 1868 CA ASN A 126 9.154 -2.395 -9.952 1.00 0.00 C ATOM 1869 C ASN A 126 7.927 -1.881 -10.712 1.00 0.00 C ATOM 1870 O ASN A 126 7.885 -0.737 -11.122 1.00 0.00 O ATOM 1871 CB ASN A 126 10.132 -3.038 -10.939 1.00 0.00 C ATOM 1872 CG ASN A 126 10.691 -1.964 -11.874 1.00 0.00 C ATOM 1873 OD1 ASN A 126 11.109 -0.913 -11.431 1.00 0.00 O ATOM 1874 ND2 ASN A 126 10.717 -2.185 -13.160 1.00 0.00 N ATOM 0 H ASN A 126 8.580 -4.341 -9.270 1.00 0.00 H new ATOM 0 HA ASN A 126 9.630 -1.552 -9.451 1.00 0.00 H new ATOM 0 HB2 ASN A 126 10.944 -3.524 -10.398 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.626 -3.812 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.088 -1.476 -13.792 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.366 -3.067 -13.533 1.00 0.00 H new ATOM 1881 N VAL A 127 6.923 -2.694 -10.901 1.00 0.00 N ATOM 1882 CA VAL A 127 5.717 -2.202 -11.631 1.00 0.00 C ATOM 1883 C VAL A 127 5.228 -0.951 -10.908 1.00 0.00 C ATOM 1884 O VAL A 127 5.106 -0.945 -9.699 1.00 0.00 O ATOM 1885 CB VAL A 127 4.624 -3.279 -11.612 1.00 0.00 C ATOM 1886 CG1 VAL A 127 3.269 -2.655 -11.963 1.00 0.00 C ATOM 1887 CG2 VAL A 127 4.965 -4.363 -12.639 1.00 0.00 C ATOM 0 H VAL A 127 6.884 -3.664 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 127 5.957 -1.977 -12.670 1.00 0.00 H new ATOM 0 HB VAL A 127 4.569 -3.717 -10.616 1.00 0.00 H new ATOM 0 HG11 VAL A 127 2.498 -3.426 -11.947 1.00 0.00 H new ATOM 0 HG12 VAL A 127 3.024 -1.883 -11.234 1.00 0.00 H new ATOM 0 HG13 VAL A 127 3.319 -2.212 -12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 127 4.191 -5.130 -12.629 1.00 0.00 H new ATOM 0 HG22 VAL A 127 5.022 -3.918 -13.632 1.00 0.00 H new ATOM 0 HG23 VAL A 127 5.925 -4.813 -12.388 1.00 0.00 H new ATOM 1897 N ARG A 128 4.980 0.125 -11.609 1.00 0.00 N ATOM 1898 CA ARG A 128 4.552 1.346 -10.897 1.00 0.00 C ATOM 1899 C ARG A 128 3.052 1.379 -10.763 1.00 0.00 C ATOM 1900 O ARG A 128 2.355 0.861 -11.612 1.00 0.00 O ATOM 1901 CB ARG A 128 5.018 2.552 -11.713 1.00 0.00 C ATOM 1902 CG ARG A 128 6.438 2.302 -12.228 1.00 0.00 C ATOM 1903 CD ARG A 128 7.020 3.603 -12.785 1.00 0.00 C ATOM 1904 NE ARG A 128 8.116 3.286 -13.744 1.00 0.00 N ATOM 1905 CZ ARG A 128 7.837 3.031 -14.994 1.00 0.00 C ATOM 1906 NH1 ARG A 128 6.663 2.564 -15.319 1.00 0.00 N ATOM 1907 NH2 ARG A 128 8.733 3.243 -15.919 1.00 0.00 N ATOM 0 H ARG A 128 5.056 0.203 -12.623 1.00 0.00 H new ATOM 0 HA ARG A 128 4.985 1.363 -9.897 1.00 0.00 H new ATOM 0 HB2 ARG A 128 4.341 2.722 -12.550 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.996 3.451 -11.098 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.067 1.927 -11.421 1.00 0.00 H new ATOM 0 HG3 ARG A 128 6.425 1.537 -13.004 1.00 0.00 H new ATOM 0 HD2 ARG A 128 6.240 4.178 -13.284 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.401 4.221 -11.972 1.00 0.00 H new ATOM 0 HE ARG A 128 9.084 3.268 -13.424 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.962 2.398 -14.597 1.00 0.00 H new ATOM 0 HH12 ARG A 128 6.446 2.365 -16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.651 3.608 -15.666 1.00 0.00 H new ATOM 0 HH22 ARG A 128 8.515 3.044 -16.895 1.00 0.00 H new ATOM 1921 N LEU A 129 2.510 1.964 -9.715 1.00 0.00 N ATOM 1922 CA LEU A 129 1.005 1.939 -9.651 1.00 0.00 C ATOM 1923 C LEU A 129 0.500 3.207 -9.017 1.00 0.00 C ATOM 1924 O LEU A 129 1.228 3.826 -8.264 1.00 0.00 O ATOM 1925 CB LEU A 129 0.563 0.759 -8.774 1.00 0.00 C ATOM 1926 CG LEU A 129 0.510 -0.544 -9.589 1.00 0.00 C ATOM 1927 CD1 LEU A 129 1.419 -1.596 -8.946 1.00 0.00 C ATOM 1928 CD2 LEU A 129 -0.924 -1.067 -9.606 1.00 0.00 C ATOM 0 H LEU A 129 3.001 2.427 -8.950 1.00 0.00 H new ATOM 0 HA LEU A 129 0.606 1.843 -10.661 1.00 0.00 H new ATOM 0 HB2 LEU A 129 1.255 0.642 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.419 0.966 -8.348 1.00 0.00 H new ATOM 0 HG LEU A 129 0.848 -0.347 -10.606 1.00 0.00 H new ATOM 0 HD11 LEU A 129 1.378 -2.517 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 129 2.444 -1.227 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 129 1.083 -1.794 -7.928 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.967 -1.991 -10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.253 -1.261 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -1.577 -0.323 -10.063 1.00 0.00 H new ATOM 1940 N PRO A 130 -0.727 3.592 -9.218 1.00 0.00 N ATOM 1941 CA PRO A 130 -1.214 4.786 -8.505 1.00 0.00 C ATOM 1942 C PRO A 130 -1.032 4.505 -7.011 1.00 0.00 C ATOM 1943 O PRO A 130 -1.203 3.380 -6.590 1.00 0.00 O ATOM 1944 CB PRO A 130 -2.691 4.848 -8.913 1.00 0.00 C ATOM 1945 CG PRO A 130 -2.986 3.672 -9.862 1.00 0.00 C ATOM 1946 CD PRO A 130 -1.679 2.906 -10.124 1.00 0.00 C ATOM 0 HA PRO A 130 -0.708 5.725 -8.728 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -3.330 4.793 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -2.908 5.796 -9.405 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -3.730 3.009 -9.421 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -3.403 4.039 -10.800 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -1.774 1.846 -9.888 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -1.369 2.974 -11.167 1.00 0.00 H new ATOM 1954 N TYR A 131 -0.629 5.448 -6.207 1.00 0.00 N ATOM 1955 CA TYR A 131 -0.400 5.087 -4.774 1.00 0.00 C ATOM 1956 C TYR A 131 -0.799 6.204 -3.818 1.00 0.00 C ATOM 1957 O TYR A 131 -1.170 7.288 -4.220 1.00 0.00 O ATOM 1958 CB TYR A 131 1.089 4.803 -4.582 1.00 0.00 C ATOM 1959 CG TYR A 131 1.870 6.086 -4.756 1.00 0.00 C ATOM 1960 CD1 TYR A 131 2.018 6.645 -6.030 1.00 0.00 C ATOM 1961 CD2 TYR A 131 2.442 6.714 -3.644 1.00 0.00 C ATOM 1962 CE1 TYR A 131 2.741 7.833 -6.193 1.00 0.00 C ATOM 1963 CE2 TYR A 131 3.165 7.902 -3.807 1.00 0.00 C ATOM 1964 CZ TYR A 131 3.314 8.462 -5.083 1.00 0.00 C ATOM 1965 OH TYR A 131 4.026 9.633 -5.243 1.00 0.00 O ATOM 0 H TYR A 131 -0.452 6.420 -6.463 1.00 0.00 H new ATOM 0 HA TYR A 131 -1.017 4.217 -4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 131 1.267 4.388 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 131 1.425 4.059 -5.304 1.00 0.00 H new ATOM 0 HD1 TYR A 131 1.575 6.160 -6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 131 2.326 6.283 -2.661 1.00 0.00 H new ATOM 0 HE1 TYR A 131 2.856 8.264 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 131 3.608 8.387 -2.949 1.00 0.00 H new ATOM 0 HH TYR A 131 4.355 9.937 -4.372 1.00 0.00 H new ATOM 1975 N VAL A 132 -0.692 5.934 -2.537 1.00 0.00 N ATOM 1976 CA VAL A 132 -1.028 6.969 -1.519 1.00 0.00 C ATOM 1977 C VAL A 132 0.227 7.231 -0.690 1.00 0.00 C ATOM 1978 O VAL A 132 1.117 6.405 -0.630 1.00 0.00 O ATOM 1979 CB VAL A 132 -2.159 6.462 -0.621 1.00 0.00 C ATOM 1980 CG1 VAL A 132 -2.438 7.485 0.484 1.00 0.00 C ATOM 1981 CG2 VAL A 132 -3.425 6.262 -1.457 1.00 0.00 C ATOM 0 H VAL A 132 -0.385 5.038 -2.157 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.360 7.889 -2.000 1.00 0.00 H new ATOM 0 HB VAL A 132 -1.864 5.514 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -3.244 7.121 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -1.538 7.629 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.731 8.434 0.035 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -4.230 5.901 -0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.717 7.211 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -3.231 5.532 -2.243 1.00 0.00 H new ATOM 1991 N CYS A 133 0.327 8.370 -0.065 1.00 0.00 N ATOM 1992 CA CYS A 133 1.549 8.669 0.738 1.00 0.00 C ATOM 1993 C CYS A 133 1.163 9.289 2.080 1.00 0.00 C ATOM 1994 O CYS A 133 0.398 10.229 2.137 1.00 0.00 O ATOM 1995 CB CYS A 133 2.421 9.654 -0.046 1.00 0.00 C ATOM 1996 SG CYS A 133 3.835 10.157 0.963 1.00 0.00 S ATOM 0 H CYS A 133 -0.380 9.105 -0.074 1.00 0.00 H new ATOM 0 HA CYS A 133 2.096 7.745 0.925 1.00 0.00 H new ATOM 0 HB2 CYS A 133 2.768 9.191 -0.970 1.00 0.00 H new ATOM 0 HB3 CYS A 133 1.834 10.528 -0.328 1.00 0.00 H new ATOM 2001 N LYS A 134 1.699 8.778 3.161 1.00 0.00 N ATOM 2002 CA LYS A 134 1.372 9.348 4.502 1.00 0.00 C ATOM 2003 C LYS A 134 2.528 10.248 4.944 1.00 0.00 C ATOM 2004 O LYS A 134 3.643 10.085 4.496 1.00 0.00 O ATOM 2005 CB LYS A 134 1.176 8.202 5.506 1.00 0.00 C ATOM 2006 CG LYS A 134 2.521 7.793 6.116 1.00 0.00 C ATOM 2007 CD LYS A 134 2.400 6.399 6.737 1.00 0.00 C ATOM 2008 CE LYS A 134 3.562 6.164 7.704 1.00 0.00 C ATOM 2009 NZ LYS A 134 3.693 4.705 7.976 1.00 0.00 N ATOM 0 H LYS A 134 2.348 7.991 3.171 1.00 0.00 H new ATOM 0 HA LYS A 134 0.454 9.933 4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 134 0.491 8.514 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 134 0.720 7.347 5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 134 3.295 7.795 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 134 2.823 8.515 6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 134 1.451 6.306 7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 134 2.406 5.640 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 134 4.488 6.550 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 134 3.390 6.705 8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 4.483 4.544 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 2.812 4.350 8.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 3.876 4.201 7.085 1.00 0.00 H new ATOM 2023 N PHE A 135 2.276 11.204 5.801 1.00 0.00 N ATOM 2024 CA PHE A 135 3.385 12.112 6.240 1.00 0.00 C ATOM 2025 C PHE A 135 2.857 13.139 7.244 1.00 0.00 C ATOM 2026 O PHE A 135 1.912 13.850 6.976 1.00 0.00 O ATOM 2027 CB PHE A 135 3.946 12.860 5.024 1.00 0.00 C ATOM 2028 CG PHE A 135 2.811 13.486 4.247 1.00 0.00 C ATOM 2029 CD1 PHE A 135 2.352 14.766 4.585 1.00 0.00 C ATOM 2030 CD2 PHE A 135 2.215 12.789 3.188 1.00 0.00 C ATOM 2031 CE1 PHE A 135 1.299 15.346 3.866 1.00 0.00 C ATOM 2032 CE2 PHE A 135 1.162 13.369 2.471 1.00 0.00 C ATOM 2033 CZ PHE A 135 0.704 14.648 2.810 1.00 0.00 C ATOM 0 H PHE A 135 1.363 11.396 6.213 1.00 0.00 H new ATOM 0 HA PHE A 135 4.166 11.511 6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 135 4.646 13.630 5.349 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.502 12.173 4.386 1.00 0.00 H new ATOM 0 HD1 PHE A 135 2.810 15.306 5.400 1.00 0.00 H new ATOM 0 HD2 PHE A 135 2.568 11.803 2.924 1.00 0.00 H new ATOM 0 HE1 PHE A 135 0.946 16.333 4.127 1.00 0.00 H new ATOM 0 HE2 PHE A 135 0.703 12.830 1.656 1.00 0.00 H new ATOM 0 HZ PHE A 135 -0.108 15.095 2.256 1.00 0.00 H new