USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 754 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 18 SER OG : rot 11:sc= -0.434 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -139:sc= -2.02 (180deg=-4.21!) USER MOD Set 2.1: A 48 GLN : amide:sc= -0.267 X(o=-0.35,f=-0.54) USER MOD Set 2.2: A 61 SER OG : rot -170:sc= -0.0786 USER MOD Single : A 15 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0305) USER MOD Single : A 21 SER OG : rot 90:sc= 0.349 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 130:sc= -1.66 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0897 K(o=-0.09,f=-1.7) USER MOD Single : A 43 THR OG1 : rot 36:sc= 1.03 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.0253 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc=-0.00314 X(o=-0.0031,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -112:sc= 1.25! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 72:sc= -4.97! USER MOD Single : A 94 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00326) USER MOD Single : A 95 THR OG1 : rot -61:sc= 1.28 USER MOD Single : A 101 ASN : amide:sc= -0.0558 K(o=-0.056,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 111 N GLU A 11 9.523 0.259 -11.057 1.00 0.00 N ATOM 112 CA GLU A 11 8.346 1.102 -11.180 1.00 0.00 C ATOM 113 C GLU A 11 7.471 0.978 -9.931 1.00 0.00 C ATOM 114 O GLU A 11 7.089 1.983 -9.333 1.00 0.00 O ATOM 115 CB GLU A 11 7.552 0.755 -12.441 1.00 0.00 C ATOM 116 CG GLU A 11 6.926 -0.636 -12.330 1.00 0.00 C ATOM 117 CD GLU A 11 6.361 -1.092 -13.677 1.00 0.00 C ATOM 118 OE1 GLU A 11 5.186 -0.757 -13.942 1.00 0.00 O ATOM 119 OE2 GLU A 11 7.116 -1.765 -14.411 1.00 0.00 O ATOM 0 HA GLU A 11 8.673 2.138 -11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.770 1.498 -12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.208 0.794 -13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.675 -1.349 -11.985 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.131 -0.623 -11.584 1.00 0.00 H new ATOM 126 N LEU A 12 7.179 -0.264 -9.572 1.00 0.00 N ATOM 127 CA LEU A 12 6.357 -0.533 -8.406 1.00 0.00 C ATOM 128 C LEU A 12 7.155 -0.214 -7.140 1.00 0.00 C ATOM 129 O LEU A 12 6.703 0.555 -6.294 1.00 0.00 O ATOM 130 CB LEU A 12 5.817 -1.964 -8.449 1.00 0.00 C ATOM 131 CG LEU A 12 5.049 -2.353 -9.713 1.00 0.00 C ATOM 132 CD1 LEU A 12 4.500 -3.778 -9.605 1.00 0.00 C ATOM 133 CD2 LEU A 12 3.949 -1.337 -10.022 1.00 0.00 C ATOM 0 H LEU A 12 7.498 -1.095 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 12 5.480 0.114 -8.401 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.655 -2.651 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.162 -2.110 -7.590 1.00 0.00 H new ATOM 0 HG LEU A 12 5.744 -2.339 -10.552 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.958 -4.029 -10.517 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.326 -4.477 -9.469 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.825 -3.844 -8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.419 -1.638 -10.926 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.249 -1.294 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.394 -0.354 -10.173 1.00 0.00 H new ATOM 145 N LEU A 13 8.329 -0.822 -7.051 1.00 0.00 N ATOM 146 CA LEU A 13 9.196 -0.613 -5.903 1.00 0.00 C ATOM 147 C LEU A 13 9.222 0.877 -5.555 1.00 0.00 C ATOM 148 O LEU A 13 9.189 1.726 -6.444 1.00 0.00 O ATOM 149 CB LEU A 13 10.580 -1.210 -6.161 1.00 0.00 C ATOM 150 CG LEU A 13 11.155 -2.078 -5.040 1.00 0.00 C ATOM 151 CD1 LEU A 13 12.546 -2.597 -5.408 1.00 0.00 C ATOM 152 CD2 LEU A 13 11.160 -1.323 -3.709 1.00 0.00 C ATOM 0 H LEU A 13 8.700 -1.460 -7.755 1.00 0.00 H new ATOM 0 HA LEU A 13 8.807 -1.138 -5.030 1.00 0.00 H new ATOM 0 HB2 LEU A 13 10.531 -1.810 -7.070 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.276 -0.394 -6.355 1.00 0.00 H new ATOM 0 HG LEU A 13 10.509 -2.947 -4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.932 -3.211 -4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.482 -3.196 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.216 -1.754 -5.576 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.574 -1.963 -2.929 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.770 -0.425 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.140 -1.043 -3.446 1.00 0.00 H new ATOM 164 N GLY A 14 9.281 1.148 -4.259 1.00 0.00 N ATOM 165 CA GLY A 14 9.313 2.520 -3.782 1.00 0.00 C ATOM 166 C GLY A 14 8.081 3.294 -4.256 1.00 0.00 C ATOM 167 O GLY A 14 8.074 4.523 -4.246 1.00 0.00 O ATOM 0 H GLY A 14 9.307 0.440 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.356 2.529 -2.693 1.00 0.00 H new ATOM 0 HA3 GLY A 14 10.217 3.013 -4.141 1.00 0.00 H new ATOM 171 N LYS A 15 7.068 2.541 -4.660 1.00 0.00 N ATOM 172 CA LYS A 15 5.834 3.141 -5.136 1.00 0.00 C ATOM 173 C LYS A 15 4.643 2.400 -4.524 1.00 0.00 C ATOM 174 O LYS A 15 4.735 1.211 -4.221 1.00 0.00 O ATOM 175 CB LYS A 15 5.813 3.181 -6.665 1.00 0.00 C ATOM 176 CG LYS A 15 4.545 2.523 -7.213 1.00 0.00 C ATOM 177 CD LYS A 15 4.299 2.933 -8.666 1.00 0.00 C ATOM 178 CE LYS A 15 3.588 1.820 -9.439 1.00 0.00 C ATOM 179 NZ LYS A 15 2.894 2.371 -10.622 1.00 0.00 N ATOM 0 H LYS A 15 7.077 1.521 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 15 5.765 4.179 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.867 4.215 -7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.692 2.669 -7.058 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.636 1.439 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.689 2.808 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.697 3.841 -8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.249 3.165 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.312 1.068 -9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.870 1.320 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.489 1.593 -11.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.133 3.008 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.572 2.900 -11.207 1.00 0.00 H new ATOM 193 N VAL A 16 3.551 3.133 -4.360 1.00 0.00 N ATOM 194 CA VAL A 16 2.343 2.560 -3.791 1.00 0.00 C ATOM 195 C VAL A 16 1.673 1.657 -4.828 1.00 0.00 C ATOM 196 O VAL A 16 1.667 1.970 -6.017 1.00 0.00 O ATOM 197 CB VAL A 16 1.424 3.674 -3.285 1.00 0.00 C ATOM 198 CG1 VAL A 16 0.104 3.102 -2.767 1.00 0.00 C ATOM 199 CG2 VAL A 16 2.118 4.513 -2.210 1.00 0.00 C ATOM 0 H VAL A 16 3.478 4.119 -4.611 1.00 0.00 H new ATOM 0 HA VAL A 16 2.585 1.939 -2.928 1.00 0.00 H new ATOM 0 HB VAL A 16 1.198 4.329 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.531 3.914 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.403 2.570 -3.572 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.303 2.413 -1.946 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.443 5.297 -1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.389 3.875 -1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.018 4.965 -2.626 1.00 0.00 H new ATOM 209 N VAL A 17 1.126 0.554 -4.340 1.00 0.00 N ATOM 210 CA VAL A 17 0.455 -0.398 -5.209 1.00 0.00 C ATOM 211 C VAL A 17 -0.775 -0.957 -4.493 1.00 0.00 C ATOM 212 O VAL A 17 -0.890 -0.851 -3.273 1.00 0.00 O ATOM 213 CB VAL A 17 1.436 -1.486 -5.649 1.00 0.00 C ATOM 214 CG1 VAL A 17 2.416 -0.950 -6.695 1.00 0.00 C ATOM 215 CG2 VAL A 17 2.182 -2.071 -4.448 1.00 0.00 C ATOM 0 H VAL A 17 1.134 0.298 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 17 0.107 0.094 -6.117 1.00 0.00 H new ATOM 0 HB VAL A 17 0.861 -2.289 -6.109 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.102 -1.743 -6.991 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.863 -0.604 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.982 -0.120 -6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.873 -2.842 -4.789 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.740 -1.281 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.466 -2.508 -3.752 1.00 0.00 H new ATOM 225 N SER A 18 -1.665 -1.540 -5.282 1.00 0.00 N ATOM 226 CA SER A 18 -2.884 -2.116 -4.739 1.00 0.00 C ATOM 227 C SER A 18 -2.721 -3.629 -4.577 1.00 0.00 C ATOM 228 O SER A 18 -2.433 -4.333 -5.544 1.00 0.00 O ATOM 229 CB SER A 18 -4.087 -1.805 -5.632 1.00 0.00 C ATOM 230 OG SER A 18 -3.797 -2.018 -7.011 1.00 0.00 O ATOM 0 H SER A 18 -1.567 -1.626 -6.294 1.00 0.00 H new ATOM 0 HA SER A 18 -3.067 -1.669 -3.762 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.929 -2.432 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.392 -0.770 -5.481 1.00 0.00 H new ATOM 0 HG SER A 18 -2.940 -2.486 -7.097 1.00 0.00 H new ATOM 236 N VAL A 19 -2.912 -4.084 -3.348 1.00 0.00 N ATOM 237 CA VAL A 19 -2.790 -5.501 -3.047 1.00 0.00 C ATOM 238 C VAL A 19 -4.185 -6.125 -2.974 1.00 0.00 C ATOM 239 O VAL A 19 -5.012 -5.712 -2.163 1.00 0.00 O ATOM 240 CB VAL A 19 -1.980 -5.695 -1.763 1.00 0.00 C ATOM 241 CG1 VAL A 19 -1.879 -7.178 -1.398 1.00 0.00 C ATOM 242 CG2 VAL A 19 -0.592 -5.064 -1.889 1.00 0.00 C ATOM 0 H VAL A 19 -3.150 -3.497 -2.549 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.246 -6.014 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.506 -5.186 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.299 -7.289 -0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.879 -7.584 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.387 -7.719 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.038 -5.216 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.054 -5.530 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.694 -3.996 -2.079 1.00 0.00 H new ATOM 252 N VAL A 20 -4.403 -7.109 -3.834 1.00 0.00 N ATOM 253 CA VAL A 20 -5.683 -7.794 -3.878 1.00 0.00 C ATOM 254 C VAL A 20 -5.786 -8.751 -2.689 1.00 0.00 C ATOM 255 O VAL A 20 -4.973 -9.662 -2.549 1.00 0.00 O ATOM 256 CB VAL A 20 -5.855 -8.496 -5.227 1.00 0.00 C ATOM 257 CG1 VAL A 20 -7.258 -9.094 -5.358 1.00 0.00 C ATOM 258 CG2 VAL A 20 -5.556 -7.541 -6.384 1.00 0.00 C ATOM 0 H VAL A 20 -3.714 -7.448 -4.506 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.501 -7.079 -3.792 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.136 -9.314 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.354 -9.587 -6.325 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.419 -9.821 -4.562 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.001 -8.300 -5.280 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.686 -8.065 -7.331 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.240 -6.693 -6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.529 -7.184 -6.305 1.00 0.00 H new ATOM 268 N SER A 21 -6.793 -8.509 -1.862 1.00 0.00 N ATOM 269 CA SER A 21 -7.012 -9.339 -0.689 1.00 0.00 C ATOM 270 C SER A 21 -7.118 -10.809 -1.098 1.00 0.00 C ATOM 271 O SER A 21 -7.933 -11.163 -1.949 1.00 0.00 O ATOM 272 CB SER A 21 -8.272 -8.906 0.065 1.00 0.00 C ATOM 273 OG SER A 21 -8.441 -7.491 0.052 1.00 0.00 O ATOM 0 H SER A 21 -7.465 -7.751 -1.981 1.00 0.00 H new ATOM 0 HA SER A 21 -6.160 -9.216 -0.021 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.145 -9.380 -0.385 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.216 -9.255 1.096 1.00 0.00 H new ATOM 0 HG SER A 21 -8.965 -7.231 -0.735 1.00 0.00 H new ATOM 279 N ALA A 22 -6.282 -11.626 -0.474 1.00 0.00 N ATOM 280 CA ALA A 22 -6.271 -13.050 -0.765 1.00 0.00 C ATOM 281 C ALA A 22 -7.655 -13.635 -0.476 1.00 0.00 C ATOM 282 O ALA A 22 -8.112 -14.534 -1.180 1.00 0.00 O ATOM 283 CB ALA A 22 -5.170 -13.728 0.051 1.00 0.00 C ATOM 0 H ALA A 22 -5.608 -11.329 0.232 1.00 0.00 H new ATOM 0 HA ALA A 22 -6.052 -13.226 -1.818 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.161 -14.796 -0.167 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.204 -13.296 -0.211 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.359 -13.576 1.114 1.00 0.00 H new ATOM 289 N THR A 23 -8.284 -13.101 0.562 1.00 0.00 N ATOM 290 CA THR A 23 -9.606 -13.559 0.952 1.00 0.00 C ATOM 291 C THR A 23 -10.686 -12.736 0.245 1.00 0.00 C ATOM 292 O THR A 23 -11.866 -13.077 0.301 1.00 0.00 O ATOM 293 CB THR A 23 -9.696 -13.498 2.478 1.00 0.00 C ATOM 294 OG1 THR A 23 -8.926 -14.612 2.917 1.00 0.00 O ATOM 295 CG2 THR A 23 -11.106 -13.792 2.993 1.00 0.00 C ATOM 0 H THR A 23 -7.902 -12.356 1.144 1.00 0.00 H new ATOM 0 HA THR A 23 -9.775 -14.591 0.643 1.00 0.00 H new ATOM 0 HB THR A 23 -9.383 -12.512 2.821 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.930 -14.647 3.896 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.115 -13.736 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.802 -13.059 2.586 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.407 -14.791 2.679 1.00 0.00 H new ATOM 303 N GLU A 24 -10.242 -11.669 -0.402 1.00 0.00 N ATOM 304 CA GLU A 24 -11.156 -10.795 -1.119 1.00 0.00 C ATOM 305 C GLU A 24 -10.546 -10.374 -2.457 1.00 0.00 C ATOM 306 O GLU A 24 -9.660 -9.520 -2.499 1.00 0.00 O ATOM 307 CB GLU A 24 -11.522 -9.574 -0.274 1.00 0.00 C ATOM 308 CG GLU A 24 -13.030 -9.515 -0.019 1.00 0.00 C ATOM 309 CD GLU A 24 -13.328 -9.384 1.476 1.00 0.00 C ATOM 310 OE1 GLU A 24 -12.810 -8.417 2.076 1.00 0.00 O ATOM 311 OE2 GLU A 24 -14.069 -10.252 1.985 1.00 0.00 O ATOM 0 H GLU A 24 -9.262 -11.389 -0.445 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.075 -11.346 -1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.990 -9.613 0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.200 -8.665 -0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.460 -8.669 -0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.504 -10.415 -0.411 1.00 0.00 H new ATOM 318 N ARG A 25 -11.046 -10.989 -3.519 1.00 0.00 N ATOM 319 CA ARG A 25 -10.562 -10.689 -4.855 1.00 0.00 C ATOM 320 C ARG A 25 -10.897 -9.243 -5.228 1.00 0.00 C ATOM 321 O ARG A 25 -10.363 -8.708 -6.199 1.00 0.00 O ATOM 322 CB ARG A 25 -11.178 -11.631 -5.890 1.00 0.00 C ATOM 323 CG ARG A 25 -10.568 -13.030 -5.790 1.00 0.00 C ATOM 324 CD ARG A 25 -9.654 -13.317 -6.983 1.00 0.00 C ATOM 325 NE ARG A 25 -9.106 -14.688 -6.882 1.00 0.00 N ATOM 326 CZ ARG A 25 -8.093 -15.035 -6.077 1.00 0.00 C ATOM 327 NH1 ARG A 25 -7.510 -14.114 -5.298 1.00 0.00 N ATOM 328 NH2 ARG A 25 -7.661 -16.304 -6.052 1.00 0.00 N ATOM 0 H ARG A 25 -11.782 -11.694 -3.481 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.481 -10.827 -4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.256 -11.689 -5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -11.018 -11.231 -6.891 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.001 -13.118 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.363 -13.775 -5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.211 -13.207 -7.913 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.840 -12.592 -7.011 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.526 -15.414 -7.462 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.837 -13.148 -5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.739 -14.379 -4.685 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.104 -17.005 -6.646 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.890 -16.568 -5.439 1.00 0.00 H new ATOM 342 N THR A 26 -11.780 -8.651 -4.437 1.00 0.00 N ATOM 343 CA THR A 26 -12.194 -7.278 -4.672 1.00 0.00 C ATOM 344 C THR A 26 -11.379 -6.320 -3.801 1.00 0.00 C ATOM 345 O THR A 26 -10.447 -5.678 -4.283 1.00 0.00 O ATOM 346 CB THR A 26 -13.702 -7.189 -4.428 1.00 0.00 C ATOM 347 OG1 THR A 26 -14.279 -7.567 -5.675 1.00 0.00 O ATOM 348 CG2 THR A 26 -14.177 -5.751 -4.216 1.00 0.00 C ATOM 0 H THR A 26 -12.220 -9.097 -3.632 1.00 0.00 H new ATOM 0 HA THR A 26 -12.000 -6.977 -5.701 1.00 0.00 H new ATOM 0 HB THR A 26 -13.965 -7.789 -3.557 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.256 -7.538 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.254 -5.745 -4.047 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.671 -5.325 -3.349 1.00 0.00 H new ATOM 0 HG23 THR A 26 -13.945 -5.157 -5.100 1.00 0.00 H new ATOM 356 N GLU A 27 -11.760 -6.253 -2.535 1.00 0.00 N ATOM 357 CA GLU A 27 -11.077 -5.384 -1.591 1.00 0.00 C ATOM 358 C GLU A 27 -9.571 -5.393 -1.858 1.00 0.00 C ATOM 359 O GLU A 27 -8.978 -6.452 -2.050 1.00 0.00 O ATOM 360 CB GLU A 27 -11.382 -5.792 -0.149 1.00 0.00 C ATOM 361 CG GLU A 27 -12.535 -4.965 0.423 1.00 0.00 C ATOM 362 CD GLU A 27 -12.010 -3.762 1.208 1.00 0.00 C ATOM 363 OE1 GLU A 27 -11.328 -4.002 2.228 1.00 0.00 O ATOM 364 OE2 GLU A 27 -12.301 -2.628 0.770 1.00 0.00 O ATOM 0 H GLU A 27 -12.534 -6.787 -2.140 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.445 -4.368 -1.730 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.637 -6.851 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.493 -5.657 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.178 -4.622 -0.387 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.147 -5.589 1.074 1.00 0.00 H new ATOM 371 N TRP A 28 -8.996 -4.199 -1.859 1.00 0.00 N ATOM 372 CA TRP A 28 -7.569 -4.056 -2.099 1.00 0.00 C ATOM 373 C TRP A 28 -7.054 -2.918 -1.215 1.00 0.00 C ATOM 374 O TRP A 28 -7.754 -1.930 -0.998 1.00 0.00 O ATOM 375 CB TRP A 28 -7.283 -3.836 -3.585 1.00 0.00 C ATOM 376 CG TRP A 28 -7.718 -2.465 -4.108 1.00 0.00 C ATOM 377 CD1 TRP A 28 -8.833 -2.156 -4.783 1.00 0.00 C ATOM 378 CD2 TRP A 28 -6.997 -1.223 -3.968 1.00 0.00 C ATOM 379 NE1 TRP A 28 -8.884 -0.811 -5.087 1.00 0.00 N ATOM 380 CE2 TRP A 28 -7.731 -0.226 -4.576 1.00 0.00 C ATOM 381 CE3 TRP A 28 -5.764 -0.951 -3.347 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -7.316 1.111 -4.624 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -5.364 0.389 -3.405 1.00 0.00 C ATOM 384 CH2 TRP A 28 -6.092 1.405 -4.014 1.00 0.00 C ATOM 0 H TRP A 28 -9.492 -3.322 -1.698 1.00 0.00 H new ATOM 0 HA TRP A 28 -7.039 -4.970 -1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.214 -3.958 -3.760 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.790 -4.610 -4.160 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -9.596 -2.870 -5.055 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.630 -0.334 -5.593 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.173 -1.715 -2.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.909 1.874 -5.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.423 0.652 -2.944 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.714 2.417 -4.016 1.00 0.00 H new ATOM 395 N TYR A 29 -5.834 -3.094 -0.729 1.00 0.00 N ATOM 396 CA TYR A 29 -5.217 -2.095 0.125 1.00 0.00 C ATOM 397 C TYR A 29 -3.868 -1.646 -0.442 1.00 0.00 C ATOM 398 O TYR A 29 -3.153 -2.439 -1.051 1.00 0.00 O ATOM 399 CB TYR A 29 -4.987 -2.778 1.475 1.00 0.00 C ATOM 400 CG TYR A 29 -3.576 -3.339 1.657 1.00 0.00 C ATOM 401 CD1 TYR A 29 -2.578 -2.541 2.182 1.00 0.00 C ATOM 402 CD2 TYR A 29 -3.299 -4.642 1.296 1.00 0.00 C ATOM 403 CE1 TYR A 29 -1.250 -3.070 2.353 1.00 0.00 C ATOM 404 CE2 TYR A 29 -1.970 -5.169 1.467 1.00 0.00 C ATOM 405 CZ TYR A 29 -1.012 -4.357 1.987 1.00 0.00 C ATOM 406 OH TYR A 29 0.244 -4.856 2.149 1.00 0.00 O ATOM 0 H TYR A 29 -5.256 -3.915 -0.911 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.853 -1.213 0.205 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.187 -2.062 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -5.706 -3.589 1.587 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.794 -1.521 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.079 -5.266 0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.460 -2.458 2.763 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.740 -6.187 1.188 1.00 0.00 H new ATOM 0 HH TYR A 29 0.197 -5.714 2.620 1.00 0.00 H new ATOM 416 N PRO A 30 -3.554 -0.343 -0.213 1.00 0.00 N ATOM 417 CA PRO A 30 -2.304 0.220 -0.694 1.00 0.00 C ATOM 418 C PRO A 30 -1.126 -0.250 0.161 1.00 0.00 C ATOM 419 O PRO A 30 -1.257 -0.404 1.374 1.00 0.00 O ATOM 420 CB PRO A 30 -2.508 1.726 -0.649 1.00 0.00 C ATOM 421 CG PRO A 30 -3.683 1.959 0.288 1.00 0.00 C ATOM 422 CD PRO A 30 -4.377 0.625 0.506 1.00 0.00 C ATOM 0 HA PRO A 30 -2.057 -0.105 -1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.613 2.231 -0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.716 2.122 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.339 2.370 1.237 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.375 2.684 -0.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.441 0.380 1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.397 0.641 0.121 1.00 0.00 H new ATOM 430 N ALA A 31 -0.001 -0.463 -0.505 1.00 0.00 N ATOM 431 CA ALA A 31 1.200 -0.912 0.179 1.00 0.00 C ATOM 432 C ALA A 31 2.429 -0.511 -0.639 1.00 0.00 C ATOM 433 O ALA A 31 2.413 -0.587 -1.867 1.00 0.00 O ATOM 434 CB ALA A 31 1.122 -2.423 0.410 1.00 0.00 C ATOM 0 H ALA A 31 0.104 -0.333 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 31 1.285 -0.436 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.023 -2.760 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.249 -2.653 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.038 -2.934 -0.549 1.00 0.00 H new ATOM 440 N LEU A 32 3.465 -0.093 0.074 1.00 0.00 N ATOM 441 CA LEU A 32 4.699 0.321 -0.571 1.00 0.00 C ATOM 442 C LEU A 32 5.648 -0.875 -0.662 1.00 0.00 C ATOM 443 O LEU A 32 6.109 -1.386 0.358 1.00 0.00 O ATOM 444 CB LEU A 32 5.301 1.530 0.148 1.00 0.00 C ATOM 445 CG LEU A 32 6.412 2.270 -0.599 1.00 0.00 C ATOM 446 CD1 LEU A 32 5.969 2.637 -2.017 1.00 0.00 C ATOM 447 CD2 LEU A 32 6.882 3.494 0.190 1.00 0.00 C ATOM 0 H LEU A 32 3.475 -0.032 1.092 1.00 0.00 H new ATOM 0 HA LEU A 32 4.503 0.651 -1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.500 2.238 0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.695 1.197 1.108 1.00 0.00 H new ATOM 0 HG LEU A 32 7.266 1.600 -0.692 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.777 3.162 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.723 1.729 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.091 3.282 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.672 4.002 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.045 4.176 0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.265 3.177 1.160 1.00 0.00 H new ATOM 459 N VAL A 33 5.911 -1.290 -1.893 1.00 0.00 N ATOM 460 CA VAL A 33 6.797 -2.417 -2.129 1.00 0.00 C ATOM 461 C VAL A 33 8.210 -2.056 -1.667 1.00 0.00 C ATOM 462 O VAL A 33 8.629 -0.906 -1.780 1.00 0.00 O ATOM 463 CB VAL A 33 6.738 -2.829 -3.603 1.00 0.00 C ATOM 464 CG1 VAL A 33 7.783 -3.902 -3.914 1.00 0.00 C ATOM 465 CG2 VAL A 33 5.334 -3.304 -3.983 1.00 0.00 C ATOM 0 H VAL A 33 5.526 -0.866 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 33 6.476 -3.282 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 33 6.969 -1.951 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.720 -4.177 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.778 -3.513 -3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.596 -4.781 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.319 -3.591 -5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.062 -4.162 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.620 -2.498 -3.817 1.00 0.00 H new ATOM 475 N ILE A 34 8.905 -3.062 -1.153 1.00 0.00 N ATOM 476 CA ILE A 34 10.262 -2.865 -0.673 1.00 0.00 C ATOM 477 C ILE A 34 11.017 -4.193 -0.733 1.00 0.00 C ATOM 478 O ILE A 34 10.505 -5.180 -1.259 1.00 0.00 O ATOM 479 CB ILE A 34 10.249 -2.227 0.719 1.00 0.00 C ATOM 480 CG1 ILE A 34 9.105 -2.784 1.567 1.00 0.00 C ATOM 481 CG2 ILE A 34 10.202 -0.701 0.622 1.00 0.00 C ATOM 482 CD1 ILE A 34 9.239 -2.345 3.026 1.00 0.00 C ATOM 0 H ILE A 34 8.553 -4.015 -1.059 1.00 0.00 H new ATOM 0 HA ILE A 34 10.796 -2.165 -1.315 1.00 0.00 H new ATOM 0 HB ILE A 34 11.179 -2.489 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.151 -2.441 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 34 9.102 -3.873 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.194 -0.273 1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 34 11.079 -0.344 0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.300 -0.398 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.413 -2.755 3.607 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.183 -2.710 3.431 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.217 -1.257 3.082 1.00 0.00 H new ATOM 494 N SER A 35 12.225 -4.176 -0.188 1.00 0.00 N ATOM 495 CA SER A 35 13.057 -5.368 -0.173 1.00 0.00 C ATOM 496 C SER A 35 13.509 -5.673 1.256 1.00 0.00 C ATOM 497 O SER A 35 13.962 -4.781 1.971 1.00 0.00 O ATOM 498 CB SER A 35 14.270 -5.204 -1.091 1.00 0.00 C ATOM 499 OG SER A 35 15.194 -6.279 -0.952 1.00 0.00 O ATOM 0 H SER A 35 12.648 -3.356 0.246 1.00 0.00 H new ATOM 0 HA SER A 35 12.464 -6.204 -0.545 1.00 0.00 H new ATOM 0 HB2 SER A 35 13.935 -5.145 -2.127 1.00 0.00 H new ATOM 0 HB3 SER A 35 14.772 -4.263 -0.864 1.00 0.00 H new ATOM 0 HG SER A 35 15.953 -6.138 -1.556 1.00 0.00 H new ATOM 505 N PRO A 36 13.366 -6.970 1.639 1.00 0.00 N ATOM 506 CA PRO A 36 13.756 -7.403 2.971 1.00 0.00 C ATOM 507 C PRO A 36 15.278 -7.499 3.093 1.00 0.00 C ATOM 508 O PRO A 36 15.848 -8.582 2.970 1.00 0.00 O ATOM 509 CB PRO A 36 13.059 -8.740 3.168 1.00 0.00 C ATOM 510 CG PRO A 36 12.686 -9.225 1.777 1.00 0.00 C ATOM 511 CD PRO A 36 12.833 -8.054 0.819 1.00 0.00 C ATOM 0 HA PRO A 36 13.462 -6.696 3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.716 -9.453 3.667 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.173 -8.630 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.332 -10.049 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.663 -9.601 1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.506 -8.297 -0.003 1.00 0.00 H new ATOM 0 HD3 PRO A 36 11.875 -7.782 0.376 1.00 0.00 H new ATOM 519 N SER A 37 15.893 -6.350 3.334 1.00 0.00 N ATOM 520 CA SER A 37 17.338 -6.290 3.475 1.00 0.00 C ATOM 521 C SER A 37 17.720 -6.317 4.956 1.00 0.00 C ATOM 522 O SER A 37 18.577 -7.099 5.366 1.00 0.00 O ATOM 523 CB SER A 37 17.905 -5.038 2.802 1.00 0.00 C ATOM 524 OG SER A 37 19.087 -5.321 2.060 1.00 0.00 O ATOM 0 H SER A 37 15.417 -5.454 3.435 1.00 0.00 H new ATOM 0 HA SER A 37 17.767 -7.161 2.980 1.00 0.00 H new ATOM 0 HB2 SER A 37 17.153 -4.611 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 37 18.124 -4.286 3.560 1.00 0.00 H new ATOM 0 HG SER A 37 19.417 -4.497 1.644 1.00 0.00 H new ATOM 530 N CYS A 38 17.068 -5.452 5.719 1.00 0.00 N ATOM 531 CA CYS A 38 17.329 -5.366 7.145 1.00 0.00 C ATOM 532 C CYS A 38 16.664 -6.563 7.829 1.00 0.00 C ATOM 533 O CYS A 38 17.320 -7.315 8.549 1.00 0.00 O ATOM 534 CB CYS A 38 16.849 -4.036 7.730 1.00 0.00 C ATOM 535 SG CYS A 38 17.903 -3.559 9.148 1.00 0.00 S ATOM 0 H CYS A 38 16.359 -4.804 5.376 1.00 0.00 H new ATOM 0 HA CYS A 38 18.404 -5.398 7.322 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.881 -3.260 6.965 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.811 -4.124 8.051 1.00 0.00 H new ATOM 0 HG CYS A 38 17.488 -2.428 9.636 1.00 0.00 H new ATOM 541 N ASN A 39 15.371 -6.703 7.578 1.00 0.00 N ATOM 542 CA ASN A 39 14.610 -7.796 8.160 1.00 0.00 C ATOM 543 C ASN A 39 15.145 -9.126 7.624 1.00 0.00 C ATOM 544 O ASN A 39 15.684 -9.183 6.520 1.00 0.00 O ATOM 545 CB ASN A 39 13.130 -7.696 7.786 1.00 0.00 C ATOM 546 CG ASN A 39 12.534 -6.369 8.255 1.00 0.00 C ATOM 547 OD1 ASN A 39 13.178 -5.565 8.910 1.00 0.00 O ATOM 548 ND2 ASN A 39 11.271 -6.181 7.885 1.00 0.00 N ATOM 0 H ASN A 39 14.831 -6.078 6.980 1.00 0.00 H new ATOM 0 HA ASN A 39 14.713 -7.740 9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 39 13.017 -7.787 6.706 1.00 0.00 H new ATOM 0 HB3 ASN A 39 12.581 -8.524 8.235 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.784 -5.324 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.789 -6.893 7.337 1.00 0.00 H new ATOM 555 N ASP A 40 14.976 -10.163 8.431 1.00 0.00 N ATOM 556 CA ASP A 40 15.436 -11.488 8.053 1.00 0.00 C ATOM 557 C ASP A 40 14.393 -12.525 8.476 1.00 0.00 C ATOM 558 O ASP A 40 13.881 -13.271 7.643 1.00 0.00 O ATOM 559 CB ASP A 40 16.754 -11.834 8.747 1.00 0.00 C ATOM 560 CG ASP A 40 17.470 -13.070 8.197 1.00 0.00 C ATOM 561 OD1 ASP A 40 17.584 -13.155 6.956 1.00 0.00 O ATOM 562 OD2 ASP A 40 17.886 -13.903 9.032 1.00 0.00 O ATOM 0 H ASP A 40 14.527 -10.112 9.345 1.00 0.00 H new ATOM 0 HA ASP A 40 15.585 -11.497 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 40 17.425 -10.979 8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.559 -11.988 9.808 1.00 0.00 H new ATOM 567 N ASP A 41 14.109 -12.538 9.770 1.00 0.00 N ATOM 568 CA ASP A 41 13.137 -13.471 10.314 1.00 0.00 C ATOM 569 C ASP A 41 11.910 -13.511 9.400 1.00 0.00 C ATOM 570 O ASP A 41 11.485 -14.583 8.973 1.00 0.00 O ATOM 571 CB ASP A 41 12.675 -13.036 11.706 1.00 0.00 C ATOM 572 CG ASP A 41 13.533 -13.553 12.862 1.00 0.00 C ATOM 573 OD1 ASP A 41 13.415 -14.762 13.159 1.00 0.00 O ATOM 574 OD2 ASP A 41 14.287 -12.729 13.423 1.00 0.00 O ATOM 0 H ASP A 41 14.535 -11.917 10.458 1.00 0.00 H new ATOM 0 HA ASP A 41 13.610 -14.451 10.381 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.660 -11.947 11.743 1.00 0.00 H new ATOM 0 HB3 ASP A 41 11.650 -13.375 11.854 1.00 0.00 H new ATOM 579 N ILE A 42 11.375 -12.330 9.128 1.00 0.00 N ATOM 580 CA ILE A 42 10.205 -12.217 8.274 1.00 0.00 C ATOM 581 C ILE A 42 10.603 -12.526 6.829 1.00 0.00 C ATOM 582 O ILE A 42 10.463 -11.679 5.948 1.00 0.00 O ATOM 583 CB ILE A 42 9.542 -10.849 8.449 1.00 0.00 C ATOM 584 CG1 ILE A 42 9.104 -10.634 9.900 1.00 0.00 C ATOM 585 CG2 ILE A 42 8.383 -10.671 7.468 1.00 0.00 C ATOM 586 CD1 ILE A 42 8.237 -11.796 10.388 1.00 0.00 C ATOM 0 H ILE A 42 11.730 -11.443 9.484 1.00 0.00 H new ATOM 0 HA ILE A 42 9.451 -12.950 8.563 1.00 0.00 H new ATOM 0 HB ILE A 42 10.279 -10.080 8.218 1.00 0.00 H new ATOM 0 HG12 ILE A 42 9.982 -10.538 10.538 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.547 -9.701 9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.930 -9.690 7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.755 -10.750 6.447 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.636 -11.445 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.939 -11.619 11.421 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.348 -11.874 9.762 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.805 -12.724 10.328 1.00 0.00 H new ATOM 598 N THR A 43 11.090 -13.742 6.630 1.00 0.00 N ATOM 599 CA THR A 43 11.509 -14.174 5.308 1.00 0.00 C ATOM 600 C THR A 43 10.348 -14.063 4.317 1.00 0.00 C ATOM 601 O THR A 43 9.194 -14.288 4.681 1.00 0.00 O ATOM 602 CB THR A 43 12.070 -15.592 5.429 1.00 0.00 C ATOM 603 OG1 THR A 43 13.410 -15.398 5.876 1.00 0.00 O ATOM 604 CG2 THR A 43 12.227 -16.278 4.070 1.00 0.00 C ATOM 0 H THR A 43 11.204 -14.442 7.363 1.00 0.00 H new ATOM 0 HA THR A 43 12.295 -13.530 4.913 1.00 0.00 H new ATOM 0 HB THR A 43 11.414 -16.189 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.442 -14.639 6.495 1.00 0.00 H new ATOM 0 HG21 THR A 43 12.629 -17.281 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 43 11.255 -16.342 3.581 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.909 -15.700 3.447 1.00 0.00 H new ATOM 612 N VAL A 44 10.692 -13.716 3.086 1.00 0.00 N ATOM 613 CA VAL A 44 9.693 -13.572 2.041 1.00 0.00 C ATOM 614 C VAL A 44 9.894 -14.671 0.995 1.00 0.00 C ATOM 615 O VAL A 44 11.005 -14.873 0.508 1.00 0.00 O ATOM 616 CB VAL A 44 9.755 -12.163 1.449 1.00 0.00 C ATOM 617 CG1 VAL A 44 8.851 -12.045 0.220 1.00 0.00 C ATOM 618 CG2 VAL A 44 9.393 -11.110 2.499 1.00 0.00 C ATOM 0 H VAL A 44 11.650 -13.530 2.788 1.00 0.00 H new ATOM 0 HA VAL A 44 8.690 -13.693 2.451 1.00 0.00 H new ATOM 0 HB VAL A 44 10.781 -11.979 1.130 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.913 -11.034 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.174 -12.758 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.821 -12.260 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.445 -10.117 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.382 -11.292 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.094 -11.170 3.331 1.00 0.00 H new ATOM 628 N LYS A 45 8.801 -15.351 0.680 1.00 0.00 N ATOM 629 CA LYS A 45 8.844 -16.423 -0.299 1.00 0.00 C ATOM 630 C LYS A 45 9.384 -15.878 -1.623 1.00 0.00 C ATOM 631 O LYS A 45 9.790 -14.719 -1.702 1.00 0.00 O ATOM 632 CB LYS A 45 7.473 -17.090 -0.423 1.00 0.00 C ATOM 633 CG LYS A 45 7.372 -18.311 0.493 1.00 0.00 C ATOM 634 CD LYS A 45 7.260 -17.888 1.960 1.00 0.00 C ATOM 635 CE LYS A 45 8.192 -18.720 2.842 1.00 0.00 C ATOM 636 NZ LYS A 45 7.804 -18.597 4.265 1.00 0.00 N ATOM 0 H LYS A 45 7.881 -15.180 1.086 1.00 0.00 H new ATOM 0 HA LYS A 45 9.527 -17.208 0.026 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.692 -16.374 -0.168 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.304 -17.391 -1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.503 -18.908 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.249 -18.944 0.359 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.508 -16.831 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.231 -18.006 2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.153 -19.766 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.221 -18.387 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.447 -19.168 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.864 -17.600 4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.829 -18.936 4.390 1.00 0.00 H new ATOM 650 N LYS A 46 9.371 -16.739 -2.630 1.00 0.00 N ATOM 651 CA LYS A 46 9.855 -16.357 -3.947 1.00 0.00 C ATOM 652 C LYS A 46 8.740 -15.634 -4.704 1.00 0.00 C ATOM 653 O LYS A 46 9.007 -14.726 -5.490 1.00 0.00 O ATOM 654 CB LYS A 46 10.412 -17.576 -4.685 1.00 0.00 C ATOM 655 CG LYS A 46 10.547 -17.293 -6.183 1.00 0.00 C ATOM 656 CD LYS A 46 11.623 -16.239 -6.447 1.00 0.00 C ATOM 657 CE LYS A 46 13.024 -16.846 -6.341 1.00 0.00 C ATOM 658 NZ LYS A 46 14.057 -15.795 -6.469 1.00 0.00 N ATOM 0 H LYS A 46 9.033 -17.699 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 46 10.687 -15.658 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.385 -17.843 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 46 9.755 -18.432 -4.530 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.798 -18.214 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.591 -16.950 -6.579 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.482 -15.811 -7.440 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.521 -15.423 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.134 -17.357 -5.384 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.161 -17.596 -7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.001 -16.225 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.962 -15.326 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.935 -15.094 -5.710 1.00 0.00 H new ATOM 672 N ASP A 47 7.515 -16.064 -4.443 1.00 0.00 N ATOM 673 CA ASP A 47 6.358 -15.468 -5.091 1.00 0.00 C ATOM 674 C ASP A 47 5.729 -14.435 -4.153 1.00 0.00 C ATOM 675 O ASP A 47 4.544 -14.128 -4.269 1.00 0.00 O ATOM 676 CB ASP A 47 5.300 -16.525 -5.408 1.00 0.00 C ATOM 677 CG ASP A 47 5.382 -17.122 -6.814 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.484 -17.595 -7.167 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.341 -17.092 -7.506 1.00 0.00 O ATOM 0 H ASP A 47 7.298 -16.818 -3.792 1.00 0.00 H new ATOM 0 HA ASP A 47 6.693 -15.003 -6.018 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.386 -17.333 -4.681 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.313 -16.081 -5.275 1.00 0.00 H new ATOM 684 N GLN A 48 6.552 -13.927 -3.248 1.00 0.00 N ATOM 685 CA GLN A 48 6.091 -12.935 -2.291 1.00 0.00 C ATOM 686 C GLN A 48 7.067 -11.757 -2.236 1.00 0.00 C ATOM 687 O GLN A 48 8.210 -11.873 -2.675 1.00 0.00 O ATOM 688 CB GLN A 48 5.903 -13.556 -0.906 1.00 0.00 C ATOM 689 CG GLN A 48 4.497 -14.143 -0.755 1.00 0.00 C ATOM 690 CD GLN A 48 4.414 -15.059 0.468 1.00 0.00 C ATOM 691 OE1 GLN A 48 5.051 -14.838 1.485 1.00 0.00 O ATOM 692 NE2 GLN A 48 3.596 -16.096 0.312 1.00 0.00 N ATOM 0 H GLN A 48 7.535 -14.183 -3.157 1.00 0.00 H new ATOM 0 HA GLN A 48 5.121 -12.563 -2.621 1.00 0.00 H new ATOM 0 HB2 GLN A 48 6.646 -14.338 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 48 6.070 -12.800 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.770 -13.336 -0.660 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.235 -14.704 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.093 -16.221 -0.566 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.472 -16.766 1.071 1.00 0.00 H new ATOM 701 N CYS A 49 6.580 -10.652 -1.693 1.00 0.00 N ATOM 702 CA CYS A 49 7.395 -9.454 -1.575 1.00 0.00 C ATOM 703 C CYS A 49 6.933 -8.679 -0.339 1.00 0.00 C ATOM 704 O CYS A 49 5.759 -8.729 0.027 1.00 0.00 O ATOM 705 CB CYS A 49 7.329 -8.598 -2.842 1.00 0.00 C ATOM 706 SG CYS A 49 9.019 -8.145 -3.378 1.00 0.00 S ATOM 0 H CYS A 49 5.631 -10.560 -1.330 1.00 0.00 H new ATOM 0 HA CYS A 49 8.442 -9.733 -1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.821 -9.146 -3.636 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.745 -7.698 -2.653 1.00 0.00 H new ATOM 0 HG CYS A 49 8.953 -7.420 -4.455 1.00 0.00 H new ATOM 712 N LEU A 50 7.880 -7.982 0.270 1.00 0.00 N ATOM 713 CA LEU A 50 7.586 -7.197 1.458 1.00 0.00 C ATOM 714 C LEU A 50 7.060 -5.824 1.038 1.00 0.00 C ATOM 715 O LEU A 50 7.728 -5.096 0.306 1.00 0.00 O ATOM 716 CB LEU A 50 8.808 -7.134 2.374 1.00 0.00 C ATOM 717 CG LEU A 50 8.561 -6.599 3.787 1.00 0.00 C ATOM 718 CD1 LEU A 50 7.725 -7.584 4.607 1.00 0.00 C ATOM 719 CD2 LEU A 50 9.880 -6.252 4.481 1.00 0.00 C ATOM 0 H LEU A 50 8.852 -7.944 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 50 6.801 -7.673 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.229 -8.136 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 50 9.563 -6.509 1.897 1.00 0.00 H new ATOM 0 HG LEU A 50 7.987 -5.676 3.707 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.564 -7.180 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.763 -7.739 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.252 -8.535 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.676 -5.874 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.501 -7.145 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.404 -5.489 3.906 1.00 0.00 H new ATOM 731 N VAL A 51 5.865 -5.511 1.520 1.00 0.00 N ATOM 732 CA VAL A 51 5.242 -4.237 1.205 1.00 0.00 C ATOM 733 C VAL A 51 4.955 -3.479 2.502 1.00 0.00 C ATOM 734 O VAL A 51 4.809 -4.087 3.561 1.00 0.00 O ATOM 735 CB VAL A 51 3.989 -4.464 0.356 1.00 0.00 C ATOM 736 CG1 VAL A 51 4.276 -5.427 -0.798 1.00 0.00 C ATOM 737 CG2 VAL A 51 2.828 -4.968 1.215 1.00 0.00 C ATOM 0 H VAL A 51 5.313 -6.118 2.126 1.00 0.00 H new ATOM 0 HA VAL A 51 5.915 -3.620 0.610 1.00 0.00 H new ATOM 0 HB VAL A 51 3.697 -3.505 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.369 -5.571 -1.386 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.058 -5.011 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.606 -6.386 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.950 -5.121 0.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.106 -5.911 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.599 -4.232 1.985 1.00 0.00 H new ATOM 747 N ARG A 52 4.883 -2.161 2.377 1.00 0.00 N ATOM 748 CA ARG A 52 4.616 -1.315 3.527 1.00 0.00 C ATOM 749 C ARG A 52 3.243 -0.653 3.392 1.00 0.00 C ATOM 750 O ARG A 52 3.067 0.261 2.587 1.00 0.00 O ATOM 751 CB ARG A 52 5.686 -0.229 3.671 1.00 0.00 C ATOM 752 CG ARG A 52 5.747 0.293 5.108 1.00 0.00 C ATOM 753 CD ARG A 52 7.186 0.302 5.627 1.00 0.00 C ATOM 754 NE ARG A 52 7.201 0.622 7.072 1.00 0.00 N ATOM 755 CZ ARG A 52 8.292 1.012 7.745 1.00 0.00 C ATOM 756 NH1 ARG A 52 9.464 1.132 7.106 1.00 0.00 N ATOM 757 NH2 ARG A 52 8.212 1.281 9.054 1.00 0.00 N ATOM 0 H ARG A 52 5.005 -1.659 1.497 1.00 0.00 H new ATOM 0 HA ARG A 52 4.633 -1.947 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.658 -0.631 3.385 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.468 0.594 2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.335 1.301 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.128 -0.332 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.649 -0.670 5.457 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.775 1.036 5.077 1.00 0.00 H new ATOM 0 HE ARG A 52 6.325 0.540 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.525 0.927 6.109 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.295 1.429 7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.320 1.189 9.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.043 1.578 9.565 1.00 0.00 H new ATOM 771 N SER A 53 2.306 -1.140 4.193 1.00 0.00 N ATOM 772 CA SER A 53 0.955 -0.607 4.172 1.00 0.00 C ATOM 773 C SER A 53 0.968 0.868 4.576 1.00 0.00 C ATOM 774 O SER A 53 1.863 1.311 5.294 1.00 0.00 O ATOM 775 CB SER A 53 0.035 -1.403 5.100 1.00 0.00 C ATOM 776 OG SER A 53 -0.152 -0.750 6.354 1.00 0.00 O ATOM 0 H SER A 53 2.456 -1.897 4.860 1.00 0.00 H new ATOM 0 HA SER A 53 0.568 -0.696 3.157 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.932 -1.545 4.617 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.457 -2.394 5.266 1.00 0.00 H new ATOM 0 HG SER A 53 -0.746 -1.288 6.918 1.00 0.00 H new ATOM 782 N PHE A 54 -0.035 1.590 4.095 1.00 0.00 N ATOM 783 CA PHE A 54 -0.151 3.006 4.396 1.00 0.00 C ATOM 784 C PHE A 54 -1.329 3.272 5.336 1.00 0.00 C ATOM 785 O PHE A 54 -1.747 4.417 5.503 1.00 0.00 O ATOM 786 CB PHE A 54 -0.398 3.727 3.070 1.00 0.00 C ATOM 787 CG PHE A 54 0.850 3.866 2.195 1.00 0.00 C ATOM 788 CD1 PHE A 54 1.800 4.787 2.508 1.00 0.00 C ATOM 789 CD2 PHE A 54 1.007 3.069 1.104 1.00 0.00 C ATOM 790 CE1 PHE A 54 2.958 4.916 1.696 1.00 0.00 C ATOM 791 CE2 PHE A 54 2.165 3.198 0.292 1.00 0.00 C ATOM 792 CZ PHE A 54 3.116 4.119 0.606 1.00 0.00 C ATOM 0 H PHE A 54 -0.775 1.219 3.499 1.00 0.00 H new ATOM 0 HA PHE A 54 0.757 3.358 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.162 3.187 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -0.797 4.720 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 54 1.674 5.420 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.251 2.338 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.713 5.647 1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.291 2.565 -0.574 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.997 4.217 -0.011 1.00 0.00 H new ATOM 802 N ILE A 55 -1.830 2.197 5.925 1.00 0.00 N ATOM 803 CA ILE A 55 -2.952 2.299 6.842 1.00 0.00 C ATOM 804 C ILE A 55 -2.428 2.313 8.280 1.00 0.00 C ATOM 805 O ILE A 55 -2.578 3.307 8.990 1.00 0.00 O ATOM 806 CB ILE A 55 -3.972 1.192 6.569 1.00 0.00 C ATOM 807 CG1 ILE A 55 -4.564 1.327 5.165 1.00 0.00 C ATOM 808 CG2 ILE A 55 -5.056 1.168 7.648 1.00 0.00 C ATOM 809 CD1 ILE A 55 -5.371 0.083 4.788 1.00 0.00 C ATOM 0 H ILE A 55 -1.479 1.250 5.785 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.487 3.236 6.687 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.455 0.233 6.610 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.205 2.208 5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.763 1.478 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.768 0.372 7.430 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.597 0.989 8.620 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.576 2.126 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.781 0.205 3.785 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.722 -0.792 4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.186 -0.051 5.499 1.00 0.00 H new ATOM 821 N ASP A 56 -1.827 1.199 8.667 1.00 0.00 N ATOM 822 CA ASP A 56 -1.281 1.069 10.007 1.00 0.00 C ATOM 823 C ASP A 56 0.245 1.148 9.942 1.00 0.00 C ATOM 824 O ASP A 56 0.909 1.282 10.969 1.00 0.00 O ATOM 825 CB ASP A 56 -1.657 -0.278 10.628 1.00 0.00 C ATOM 826 CG ASP A 56 -1.322 -0.422 12.114 1.00 0.00 C ATOM 827 OD1 ASP A 56 -1.376 0.615 12.811 1.00 0.00 O ATOM 828 OD2 ASP A 56 -1.019 -1.565 12.519 1.00 0.00 O ATOM 0 H ASP A 56 -1.706 0.377 8.076 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.691 1.875 10.616 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.727 -0.436 10.496 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.148 -1.069 10.078 1.00 0.00 H new ATOM 833 N SER A 57 0.759 1.064 8.723 1.00 0.00 N ATOM 834 CA SER A 57 2.195 1.125 8.510 1.00 0.00 C ATOM 835 C SER A 57 2.858 -0.143 9.051 1.00 0.00 C ATOM 836 O SER A 57 3.809 -0.066 9.828 1.00 0.00 O ATOM 837 CB SER A 57 2.798 2.365 9.173 1.00 0.00 C ATOM 838 OG SER A 57 2.119 3.558 8.791 1.00 0.00 O ATOM 0 H SER A 57 0.206 0.954 7.873 1.00 0.00 H new ATOM 0 HA SER A 57 2.380 1.194 7.438 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.754 2.254 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.851 2.445 8.903 1.00 0.00 H new ATOM 0 HG SER A 57 2.533 4.327 9.236 1.00 0.00 H new ATOM 844 N LYS A 58 2.331 -1.279 8.620 1.00 0.00 N ATOM 845 CA LYS A 58 2.861 -2.562 9.052 1.00 0.00 C ATOM 846 C LYS A 58 3.553 -3.246 7.872 1.00 0.00 C ATOM 847 O LYS A 58 3.301 -2.906 6.717 1.00 0.00 O ATOM 848 CB LYS A 58 1.760 -3.407 9.693 1.00 0.00 C ATOM 849 CG LYS A 58 1.494 -2.962 11.133 1.00 0.00 C ATOM 850 CD LYS A 58 2.000 -4.005 12.131 1.00 0.00 C ATOM 851 CE LYS A 58 2.571 -3.333 13.383 1.00 0.00 C ATOM 852 NZ LYS A 58 3.276 -4.325 14.226 1.00 0.00 N ATOM 0 H LYS A 58 1.542 -1.338 7.976 1.00 0.00 H new ATOM 0 HA LYS A 58 3.615 -2.422 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.844 -3.322 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.050 -4.458 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.985 -2.007 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.425 -2.804 11.277 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.184 -4.671 12.411 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.768 -4.620 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.258 -2.537 13.095 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.766 -2.868 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.657 -3.854 15.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.611 -5.070 14.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.056 -4.749 13.684 1.00 0.00 H new ATOM 866 N PHE A 59 4.414 -4.197 8.203 1.00 0.00 N ATOM 867 CA PHE A 59 5.144 -4.932 7.184 1.00 0.00 C ATOM 868 C PHE A 59 4.441 -6.248 6.846 1.00 0.00 C ATOM 869 O PHE A 59 4.444 -7.183 7.646 1.00 0.00 O ATOM 870 CB PHE A 59 6.527 -5.242 7.763 1.00 0.00 C ATOM 871 CG PHE A 59 7.486 -4.050 7.755 1.00 0.00 C ATOM 872 CD1 PHE A 59 8.100 -3.678 6.600 1.00 0.00 C ATOM 873 CD2 PHE A 59 7.724 -3.362 8.904 1.00 0.00 C ATOM 874 CE1 PHE A 59 8.989 -2.571 6.594 1.00 0.00 C ATOM 875 CE2 PHE A 59 8.614 -2.256 8.897 1.00 0.00 C ATOM 876 CZ PHE A 59 9.228 -1.883 7.742 1.00 0.00 C ATOM 0 H PHE A 59 4.622 -4.475 9.162 1.00 0.00 H new ATOM 0 HA PHE A 59 5.206 -4.340 6.271 1.00 0.00 H new ATOM 0 HB2 PHE A 59 6.410 -5.594 8.788 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.973 -6.058 7.194 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.911 -4.224 5.688 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.236 -3.657 9.821 1.00 0.00 H new ATOM 0 HE1 PHE A 59 9.476 -2.275 5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.804 -1.710 9.809 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.905 -1.041 7.737 1.00 0.00 H new ATOM 886 N TYR A 60 3.852 -6.279 5.659 1.00 0.00 N ATOM 887 CA TYR A 60 3.145 -7.464 5.205 1.00 0.00 C ATOM 888 C TYR A 60 3.826 -8.073 3.977 1.00 0.00 C ATOM 889 O TYR A 60 4.480 -7.365 3.213 1.00 0.00 O ATOM 890 CB TYR A 60 1.742 -6.994 4.815 1.00 0.00 C ATOM 891 CG TYR A 60 0.901 -6.502 5.993 1.00 0.00 C ATOM 892 CD1 TYR A 60 0.460 -7.397 6.948 1.00 0.00 C ATOM 893 CD2 TYR A 60 0.583 -5.164 6.103 1.00 0.00 C ATOM 894 CE1 TYR A 60 -0.333 -6.934 8.058 1.00 0.00 C ATOM 895 CE2 TYR A 60 -0.210 -4.701 7.213 1.00 0.00 C ATOM 896 CZ TYR A 60 -0.628 -5.609 8.136 1.00 0.00 C ATOM 897 OH TYR A 60 -1.376 -5.171 9.184 1.00 0.00 O ATOM 0 H TYR A 60 3.850 -5.502 4.998 1.00 0.00 H new ATOM 0 HA TYR A 60 3.130 -8.224 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.829 -6.191 4.084 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.218 -7.815 4.326 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.710 -8.444 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.929 -4.464 5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.685 -7.624 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.467 -3.657 7.310 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.507 -4.203 9.110 1.00 0.00 H new ATOM 907 N SER A 61 3.648 -9.377 3.827 1.00 0.00 N ATOM 908 CA SER A 61 4.238 -10.087 2.705 1.00 0.00 C ATOM 909 C SER A 61 3.137 -10.679 1.824 1.00 0.00 C ATOM 910 O SER A 61 2.475 -11.640 2.213 1.00 0.00 O ATOM 911 CB SER A 61 5.183 -11.191 3.187 1.00 0.00 C ATOM 912 OG SER A 61 6.008 -11.683 2.135 1.00 0.00 O ATOM 0 H SER A 61 3.104 -9.960 4.463 1.00 0.00 H new ATOM 0 HA SER A 61 4.821 -9.377 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.811 -10.806 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.599 -12.012 3.604 1.00 0.00 H new ATOM 0 HG SER A 61 6.481 -12.486 2.438 1.00 0.00 H new ATOM 918 N ILE A 62 2.973 -10.081 0.653 1.00 0.00 N ATOM 919 CA ILE A 62 1.964 -10.537 -0.287 1.00 0.00 C ATOM 920 C ILE A 62 2.648 -11.051 -1.555 1.00 0.00 C ATOM 921 O ILE A 62 3.872 -11.011 -1.664 1.00 0.00 O ATOM 922 CB ILE A 62 0.935 -9.434 -0.545 1.00 0.00 C ATOM 923 CG1 ILE A 62 1.255 -8.183 0.275 1.00 0.00 C ATOM 924 CG2 ILE A 62 -0.486 -9.939 -0.292 1.00 0.00 C ATOM 925 CD1 ILE A 62 1.134 -8.466 1.774 1.00 0.00 C ATOM 0 H ILE A 62 3.523 -9.284 0.334 1.00 0.00 H new ATOM 0 HA ILE A 62 1.403 -11.372 0.132 1.00 0.00 H new ATOM 0 HB ILE A 62 0.993 -9.152 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.264 -7.842 0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.575 -7.378 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.197 -9.135 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.698 -10.777 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.577 -10.266 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.366 -7.561 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.117 -8.784 2.003 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.832 -9.255 2.053 1.00 0.00 H new ATOM 937 N ALA A 63 1.828 -11.521 -2.483 1.00 0.00 N ATOM 938 CA ALA A 63 2.338 -12.042 -3.740 1.00 0.00 C ATOM 939 C ALA A 63 2.186 -10.977 -4.827 1.00 0.00 C ATOM 940 O ALA A 63 1.136 -10.347 -4.942 1.00 0.00 O ATOM 941 CB ALA A 63 1.608 -13.341 -4.089 1.00 0.00 C ATOM 0 H ALA A 63 0.813 -11.552 -2.390 1.00 0.00 H new ATOM 0 HA ALA A 63 3.399 -12.278 -3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.991 -13.731 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.772 -14.074 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.540 -13.144 -4.185 1.00 0.00 H new ATOM 947 N ARG A 64 3.250 -10.808 -5.598 1.00 0.00 N ATOM 948 CA ARG A 64 3.248 -9.830 -6.673 1.00 0.00 C ATOM 949 C ARG A 64 2.066 -10.077 -7.613 1.00 0.00 C ATOM 950 O ARG A 64 1.675 -9.190 -8.371 1.00 0.00 O ATOM 951 CB ARG A 64 4.549 -9.890 -7.475 1.00 0.00 C ATOM 952 CG ARG A 64 5.021 -8.487 -7.862 1.00 0.00 C ATOM 953 CD ARG A 64 6.292 -8.107 -7.100 1.00 0.00 C ATOM 954 NE ARG A 64 7.401 -7.870 -8.051 1.00 0.00 N ATOM 955 CZ ARG A 64 8.175 -8.839 -8.560 1.00 0.00 C ATOM 956 NH1 ARG A 64 7.966 -10.115 -8.210 1.00 0.00 N ATOM 957 NH2 ARG A 64 9.158 -8.530 -9.416 1.00 0.00 N ATOM 0 H ARG A 64 4.120 -11.332 -5.500 1.00 0.00 H new ATOM 0 HA ARG A 64 3.158 -8.842 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.320 -10.387 -6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.399 -10.488 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.210 -8.446 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.235 -7.763 -7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 64 6.115 -7.211 -6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.561 -8.903 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 64 7.588 -6.909 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.218 -10.349 -7.557 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.554 -10.853 -8.597 1.00 0.00 H new ATOM 0 HH21 ARG A 64 9.317 -7.558 -9.680 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.747 -9.267 -9.804 1.00 0.00 H new ATOM 971 N LYS A 65 1.530 -11.286 -7.533 1.00 0.00 N ATOM 972 CA LYS A 65 0.401 -11.660 -8.367 1.00 0.00 C ATOM 973 C LYS A 65 -0.881 -11.072 -7.776 1.00 0.00 C ATOM 974 O LYS A 65 -1.912 -11.018 -8.446 1.00 0.00 O ATOM 975 CB LYS A 65 0.352 -13.178 -8.554 1.00 0.00 C ATOM 976 CG LYS A 65 0.293 -13.895 -7.204 1.00 0.00 C ATOM 977 CD LYS A 65 -0.148 -15.350 -7.374 1.00 0.00 C ATOM 978 CE LYS A 65 1.056 -16.264 -7.609 1.00 0.00 C ATOM 979 NZ LYS A 65 0.611 -17.655 -7.854 1.00 0.00 N ATOM 0 H LYS A 65 1.857 -12.019 -6.903 1.00 0.00 H new ATOM 0 HA LYS A 65 0.512 -11.242 -9.368 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.520 -13.447 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.231 -13.508 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.273 -13.862 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.401 -13.376 -6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.689 -15.676 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.838 -15.429 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.632 -15.905 -8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.717 -16.235 -6.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.441 -18.262 -8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.081 -18.000 -7.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.001 -17.681 -8.694 1.00 0.00 H new ATOM 993 N ASP A 66 -0.778 -10.645 -6.526 1.00 0.00 N ATOM 994 CA ASP A 66 -1.917 -10.064 -5.836 1.00 0.00 C ATOM 995 C ASP A 66 -1.849 -8.539 -5.947 1.00 0.00 C ATOM 996 O ASP A 66 -2.850 -7.854 -5.742 1.00 0.00 O ATOM 997 CB ASP A 66 -1.907 -10.430 -4.350 1.00 0.00 C ATOM 998 CG ASP A 66 -1.327 -11.809 -4.029 1.00 0.00 C ATOM 999 OD1 ASP A 66 -1.633 -12.747 -4.797 1.00 0.00 O ATOM 1000 OD2 ASP A 66 -0.591 -11.894 -3.022 1.00 0.00 O ATOM 0 H ASP A 66 0.078 -10.690 -5.973 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.825 -10.453 -6.297 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.334 -9.676 -3.809 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.929 -10.385 -3.973 1.00 0.00 H new ATOM 1005 N ILE A 67 -0.661 -8.053 -6.272 1.00 0.00 N ATOM 1006 CA ILE A 67 -0.450 -6.622 -6.412 1.00 0.00 C ATOM 1007 C ILE A 67 -0.720 -6.211 -7.861 1.00 0.00 C ATOM 1008 O ILE A 67 -0.483 -6.989 -8.785 1.00 0.00 O ATOM 1009 CB ILE A 67 0.943 -6.234 -5.912 1.00 0.00 C ATOM 1010 CG1 ILE A 67 1.249 -6.903 -4.570 1.00 0.00 C ATOM 1011 CG2 ILE A 67 1.096 -4.713 -5.842 1.00 0.00 C ATOM 1012 CD1 ILE A 67 2.713 -6.693 -4.175 1.00 0.00 C ATOM 0 H ILE A 67 0.166 -8.625 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.152 -6.070 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 67 1.678 -6.599 -6.629 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.598 -6.493 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.035 -7.970 -4.634 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.095 -4.464 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.950 -4.287 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.353 -4.304 -5.158 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.905 -7.178 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.361 -7.125 -4.937 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.917 -5.626 -4.088 1.00 0.00 H new ATOM 1024 N LYS A 68 -1.210 -4.991 -8.015 1.00 0.00 N ATOM 1025 CA LYS A 68 -1.515 -4.467 -9.336 1.00 0.00 C ATOM 1026 C LYS A 68 -1.429 -2.940 -9.308 1.00 0.00 C ATOM 1027 O LYS A 68 -1.787 -2.313 -8.311 1.00 0.00 O ATOM 1028 CB LYS A 68 -2.863 -4.998 -9.825 1.00 0.00 C ATOM 1029 CG LYS A 68 -4.021 -4.249 -9.162 1.00 0.00 C ATOM 1030 CD LYS A 68 -4.540 -5.012 -7.942 1.00 0.00 C ATOM 1031 CE LYS A 68 -6.043 -4.791 -7.758 1.00 0.00 C ATOM 1032 NZ LYS A 68 -6.332 -4.302 -6.391 1.00 0.00 N ATOM 0 H LYS A 68 -1.404 -4.349 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.780 -4.814 -10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.929 -4.891 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.940 -6.063 -9.604 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.691 -3.255 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.829 -4.112 -9.881 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.337 -6.076 -8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.008 -4.683 -7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.403 -4.070 -8.492 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.578 -5.723 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.186 -4.772 -6.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.527 -4.517 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.486 -3.274 -6.415 1.00 0.00 H new ATOM 1046 N GLU A 69 -0.952 -2.385 -10.412 1.00 0.00 N ATOM 1047 CA GLU A 69 -0.813 -0.943 -10.525 1.00 0.00 C ATOM 1048 C GLU A 69 -2.024 -0.243 -9.903 1.00 0.00 C ATOM 1049 O GLU A 69 -3.141 -0.755 -9.965 1.00 0.00 O ATOM 1050 CB GLU A 69 -0.630 -0.523 -11.985 1.00 0.00 C ATOM 1051 CG GLU A 69 0.060 0.839 -12.081 1.00 0.00 C ATOM 1052 CD GLU A 69 -0.842 1.864 -12.771 1.00 0.00 C ATOM 1053 OE1 GLU A 69 -1.155 1.636 -13.959 1.00 0.00 O ATOM 1054 OE2 GLU A 69 -1.199 2.852 -12.094 1.00 0.00 O ATOM 0 H GLU A 69 -0.657 -2.908 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 69 0.080 -0.640 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.039 -1.272 -12.511 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.601 -0.479 -12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.318 1.191 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.993 0.739 -12.635 1.00 0.00 H new ATOM 1061 N VAL A 70 -1.760 0.915 -9.316 1.00 0.00 N ATOM 1062 CA VAL A 70 -2.814 1.690 -8.681 1.00 0.00 C ATOM 1063 C VAL A 70 -2.526 3.181 -8.868 1.00 0.00 C ATOM 1064 O VAL A 70 -1.368 3.592 -8.913 1.00 0.00 O ATOM 1065 CB VAL A 70 -2.948 1.285 -7.212 1.00 0.00 C ATOM 1066 CG1 VAL A 70 -1.918 2.012 -6.346 1.00 0.00 C ATOM 1067 CG2 VAL A 70 -4.369 1.537 -6.702 1.00 0.00 C ATOM 0 H VAL A 70 -0.832 1.336 -9.266 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.777 1.484 -9.149 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.750 0.216 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.035 1.706 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.914 1.761 -6.687 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.070 3.088 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.438 1.241 -5.655 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.607 2.597 -6.796 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.076 0.953 -7.291 1.00 0.00 H new ATOM 1077 N ASP A 71 -3.600 3.950 -8.969 1.00 0.00 N ATOM 1078 CA ASP A 71 -3.479 5.386 -9.149 1.00 0.00 C ATOM 1079 C ASP A 71 -4.108 6.101 -7.951 1.00 0.00 C ATOM 1080 O ASP A 71 -5.252 6.547 -8.022 1.00 0.00 O ATOM 1081 CB ASP A 71 -4.207 5.848 -10.411 1.00 0.00 C ATOM 1082 CG ASP A 71 -4.631 4.725 -11.361 1.00 0.00 C ATOM 1083 OD1 ASP A 71 -3.749 3.906 -11.700 1.00 0.00 O ATOM 1084 OD2 ASP A 71 -5.826 4.710 -11.725 1.00 0.00 O ATOM 0 H ASP A 71 -4.559 3.605 -8.929 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.419 5.625 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.094 6.408 -10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.560 6.538 -10.953 1.00 0.00 H new ATOM 1089 N ILE A 72 -3.333 6.188 -6.880 1.00 0.00 N ATOM 1090 CA ILE A 72 -3.801 6.841 -5.670 1.00 0.00 C ATOM 1091 C ILE A 72 -3.904 8.348 -5.914 1.00 0.00 C ATOM 1092 O ILE A 72 -4.877 8.981 -5.509 1.00 0.00 O ATOM 1093 CB ILE A 72 -2.910 6.471 -4.482 1.00 0.00 C ATOM 1094 CG1 ILE A 72 -2.707 4.956 -4.401 1.00 0.00 C ATOM 1095 CG2 ILE A 72 -3.467 7.045 -3.178 1.00 0.00 C ATOM 1096 CD1 ILE A 72 -3.988 4.210 -4.776 1.00 0.00 C ATOM 0 H ILE A 72 -2.384 5.817 -6.825 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.800 6.491 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.929 6.920 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.899 4.658 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.404 4.680 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.815 6.767 -2.350 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.518 8.131 -3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.466 6.646 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.816 3.136 -4.710 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.787 4.492 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.275 4.470 -5.795 1.00 0.00 H new ATOM 1108 N LEU A 73 -2.887 8.877 -6.577 1.00 0.00 N ATOM 1109 CA LEU A 73 -2.849 10.297 -6.881 1.00 0.00 C ATOM 1110 C LEU A 73 -3.929 10.621 -7.917 1.00 0.00 C ATOM 1111 O LEU A 73 -4.164 11.787 -8.231 1.00 0.00 O ATOM 1112 CB LEU A 73 -1.442 10.718 -7.308 1.00 0.00 C ATOM 1113 CG LEU A 73 -0.614 11.457 -6.255 1.00 0.00 C ATOM 1114 CD1 LEU A 73 0.643 12.069 -6.876 1.00 0.00 C ATOM 1115 CD2 LEU A 73 -1.461 12.504 -5.527 1.00 0.00 C ATOM 0 H LEU A 73 -2.082 8.347 -6.912 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.074 10.883 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.894 9.826 -7.612 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -1.526 11.356 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.285 10.733 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.213 12.588 -6.106 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.256 11.279 -7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.357 12.776 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.849 13.015 -4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.839 13.230 -6.246 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.299 12.014 -5.031 1.00 0.00 H new ATOM 1127 N ASN A 74 -4.556 9.568 -8.419 1.00 0.00 N ATOM 1128 CA ASN A 74 -5.605 9.725 -9.412 1.00 0.00 C ATOM 1129 C ASN A 74 -6.958 9.402 -8.775 1.00 0.00 C ATOM 1130 O ASN A 74 -7.957 9.248 -9.475 1.00 0.00 O ATOM 1131 CB ASN A 74 -5.396 8.770 -10.589 1.00 0.00 C ATOM 1132 CG ASN A 74 -5.394 9.529 -11.917 1.00 0.00 C ATOM 1133 OD1 ASN A 74 -6.424 9.930 -12.434 1.00 0.00 O ATOM 1134 ND2 ASN A 74 -4.184 9.702 -12.440 1.00 0.00 N ATOM 0 H ASN A 74 -4.358 8.602 -8.157 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.577 10.753 -9.772 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.452 8.239 -10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.185 8.018 -10.597 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.077 10.196 -13.326 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.362 9.341 -11.955 1.00 0.00 H new ATOM 1141 N LEU A 75 -6.946 9.309 -7.453 1.00 0.00 N ATOM 1142 CA LEU A 75 -8.160 9.008 -6.713 1.00 0.00 C ATOM 1143 C LEU A 75 -8.815 10.315 -6.261 1.00 0.00 C ATOM 1144 O LEU A 75 -8.152 11.346 -6.171 1.00 0.00 O ATOM 1145 CB LEU A 75 -7.862 8.039 -5.567 1.00 0.00 C ATOM 1146 CG LEU A 75 -7.749 6.563 -5.949 1.00 0.00 C ATOM 1147 CD1 LEU A 75 -7.312 5.719 -4.750 1.00 0.00 C ATOM 1148 CD2 LEU A 75 -9.053 6.053 -6.565 1.00 0.00 C ATOM 0 H LEU A 75 -6.115 9.437 -6.876 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.879 8.497 -7.353 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.929 8.344 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -8.647 8.141 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 75 -6.975 6.466 -6.711 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.239 4.673 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -6.340 6.064 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.045 5.818 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.944 5.001 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.864 6.166 -5.845 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.281 6.629 -7.462 1.00 0.00 H new ATOM 1160 N PRO A 76 -10.142 10.226 -5.981 1.00 0.00 N ATOM 1161 CA PRO A 76 -10.894 11.388 -5.540 1.00 0.00 C ATOM 1162 C PRO A 76 -10.573 11.727 -4.083 1.00 0.00 C ATOM 1163 O PRO A 76 -10.290 10.837 -3.282 1.00 0.00 O ATOM 1164 CB PRO A 76 -12.353 11.020 -5.757 1.00 0.00 C ATOM 1165 CG PRO A 76 -12.387 9.504 -5.873 1.00 0.00 C ATOM 1166 CD PRO A 76 -10.961 9.020 -6.077 1.00 0.00 C ATOM 0 HA PRO A 76 -10.639 12.290 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.970 11.362 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.744 11.490 -6.659 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.815 9.062 -4.973 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.017 9.199 -6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.679 8.289 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.842 8.537 -7.047 1.00 0.00 H new ATOM 1174 N GLU A 77 -10.630 13.017 -3.782 1.00 0.00 N ATOM 1175 CA GLU A 77 -10.349 13.484 -2.435 1.00 0.00 C ATOM 1176 C GLU A 77 -11.219 12.737 -1.422 1.00 0.00 C ATOM 1177 O GLU A 77 -10.840 12.590 -0.262 1.00 0.00 O ATOM 1178 CB GLU A 77 -10.556 14.996 -2.326 1.00 0.00 C ATOM 1179 CG GLU A 77 -9.263 15.750 -2.644 1.00 0.00 C ATOM 1180 CD GLU A 77 -9.533 16.932 -3.578 1.00 0.00 C ATOM 1181 OE1 GLU A 77 -10.110 16.681 -4.658 1.00 0.00 O ATOM 1182 OE2 GLU A 77 -9.156 18.059 -3.191 1.00 0.00 O ATOM 0 H GLU A 77 -10.867 13.753 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 77 -9.303 13.276 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.342 15.310 -3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.891 15.249 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.810 16.108 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.547 15.072 -3.108 1.00 0.00 H new ATOM 1189 N SER A 78 -12.370 12.286 -1.898 1.00 0.00 N ATOM 1190 CA SER A 78 -13.298 11.558 -1.049 1.00 0.00 C ATOM 1191 C SER A 78 -12.610 10.325 -0.460 1.00 0.00 C ATOM 1192 O SER A 78 -12.725 10.057 0.736 1.00 0.00 O ATOM 1193 CB SER A 78 -14.550 11.146 -1.826 1.00 0.00 C ATOM 1194 OG SER A 78 -15.745 11.567 -1.173 1.00 0.00 O ATOM 0 H SER A 78 -12.681 12.411 -2.861 1.00 0.00 H new ATOM 0 HA SER A 78 -13.608 12.217 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.513 11.575 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 78 -14.564 10.062 -1.944 1.00 0.00 H new ATOM 0 HG SER A 78 -16.522 11.287 -1.700 1.00 0.00 H new ATOM 1200 N GLU A 79 -11.909 9.607 -1.325 1.00 0.00 N ATOM 1201 CA GLU A 79 -11.203 8.409 -0.905 1.00 0.00 C ATOM 1202 C GLU A 79 -10.025 8.777 0.000 1.00 0.00 C ATOM 1203 O GLU A 79 -9.840 8.177 1.059 1.00 0.00 O ATOM 1204 CB GLU A 79 -10.732 7.598 -2.114 1.00 0.00 C ATOM 1205 CG GLU A 79 -11.917 6.955 -2.838 1.00 0.00 C ATOM 1206 CD GLU A 79 -11.588 5.521 -3.260 1.00 0.00 C ATOM 1207 OE1 GLU A 79 -10.511 5.340 -3.866 1.00 0.00 O ATOM 1208 OE2 GLU A 79 -12.424 4.638 -2.966 1.00 0.00 O ATOM 0 H GLU A 79 -11.815 9.832 -2.315 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.893 7.785 -0.336 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -10.189 8.246 -2.802 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.036 6.824 -1.789 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.790 6.955 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.176 7.546 -3.716 1.00 0.00 H new ATOM 1215 N LEU A 80 -9.259 9.760 -0.449 1.00 0.00 N ATOM 1216 CA LEU A 80 -8.106 10.214 0.308 1.00 0.00 C ATOM 1217 C LEU A 80 -8.562 10.698 1.685 1.00 0.00 C ATOM 1218 O LEU A 80 -8.026 10.271 2.706 1.00 0.00 O ATOM 1219 CB LEU A 80 -7.325 11.266 -0.485 1.00 0.00 C ATOM 1220 CG LEU A 80 -6.934 10.875 -1.912 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -6.328 12.064 -2.660 1.00 0.00 C ATOM 1222 CD2 LEU A 80 -6.001 9.662 -1.913 1.00 0.00 C ATOM 0 H LEU A 80 -9.414 10.255 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.412 9.390 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.923 12.177 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.416 11.508 0.066 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.839 10.585 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.059 11.759 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.056 12.874 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.436 12.408 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.739 9.405 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.095 9.899 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.504 8.816 -1.445 1.00 0.00 H new ATOM 1234 N SER A 81 -9.548 11.584 1.670 1.00 0.00 N ATOM 1235 CA SER A 81 -10.083 12.130 2.905 1.00 0.00 C ATOM 1236 C SER A 81 -10.507 10.994 3.839 1.00 0.00 C ATOM 1237 O SER A 81 -10.224 11.033 5.036 1.00 0.00 O ATOM 1238 CB SER A 81 -11.266 13.060 2.628 1.00 0.00 C ATOM 1239 OG SER A 81 -11.456 14.008 3.676 1.00 0.00 O ATOM 0 H SER A 81 -9.990 11.937 0.821 1.00 0.00 H new ATOM 0 HA SER A 81 -9.301 12.715 3.388 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.101 13.587 1.688 1.00 0.00 H new ATOM 0 HB3 SER A 81 -12.173 12.467 2.506 1.00 0.00 H new ATOM 0 HG SER A 81 -12.219 14.584 3.461 1.00 0.00 H new ATOM 1245 N THR A 82 -11.178 10.011 3.257 1.00 0.00 N ATOM 1246 CA THR A 82 -11.643 8.868 4.022 1.00 0.00 C ATOM 1247 C THR A 82 -10.525 7.834 4.170 1.00 0.00 C ATOM 1248 O THR A 82 -9.800 7.835 5.164 1.00 0.00 O ATOM 1249 CB THR A 82 -12.893 8.315 3.335 1.00 0.00 C ATOM 1250 OG1 THR A 82 -12.426 7.881 2.060 1.00 0.00 O ATOM 1251 CG2 THR A 82 -13.912 9.409 3.005 1.00 0.00 C ATOM 0 H THR A 82 -11.411 9.983 2.264 1.00 0.00 H new ATOM 0 HA THR A 82 -11.913 9.157 5.038 1.00 0.00 H new ATOM 0 HB THR A 82 -13.358 7.566 3.976 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.802 8.456 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.780 8.963 2.519 1.00 0.00 H new ATOM 0 HG22 THR A 82 -14.225 9.904 3.924 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.457 10.140 2.337 1.00 0.00 H new ATOM 1259 N LYS A 83 -10.418 6.977 3.165 1.00 0.00 N ATOM 1260 CA LYS A 83 -9.401 5.940 3.171 1.00 0.00 C ATOM 1261 C LYS A 83 -8.090 6.521 3.704 1.00 0.00 C ATOM 1262 O LYS A 83 -7.475 7.369 3.058 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.274 5.305 1.784 1.00 0.00 C ATOM 1264 CG LYS A 83 -10.012 3.966 1.725 1.00 0.00 C ATOM 1265 CD LYS A 83 -11.526 4.171 1.795 1.00 0.00 C ATOM 1266 CE LYS A 83 -12.155 3.257 2.849 1.00 0.00 C ATOM 1267 NZ LYS A 83 -13.245 2.454 2.255 1.00 0.00 N ATOM 0 H LYS A 83 -11.019 6.980 2.341 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.687 5.130 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -9.680 5.981 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.221 5.155 1.544 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.754 3.445 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.689 3.332 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.745 5.212 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.970 3.967 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.395 2.597 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.544 3.856 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -13.661 1.840 2.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.978 3.088 1.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.864 1.868 1.484 1.00 0.00 H new ATOM 1281 N PRO A 84 -7.689 6.030 4.907 1.00 0.00 N ATOM 1282 CA PRO A 84 -6.462 6.492 5.533 1.00 0.00 C ATOM 1283 C PRO A 84 -5.235 5.893 4.842 1.00 0.00 C ATOM 1284 O PRO A 84 -4.167 6.505 4.827 1.00 0.00 O ATOM 1285 CB PRO A 84 -6.584 6.078 6.991 1.00 0.00 C ATOM 1286 CG PRO A 84 -7.653 4.998 7.028 1.00 0.00 C ATOM 1287 CD PRO A 84 -8.391 5.026 5.700 1.00 0.00 C ATOM 0 HA PRO A 84 -6.327 7.570 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.634 5.701 7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -6.863 6.926 7.616 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.202 4.020 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.344 5.173 7.852 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.368 4.051 5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -9.440 5.291 5.835 1.00 0.00 H new ATOM 1295 N GLY A 85 -5.428 4.707 4.287 1.00 0.00 N ATOM 1296 CA GLY A 85 -4.351 4.019 3.596 1.00 0.00 C ATOM 1297 C GLY A 85 -3.981 4.742 2.299 1.00 0.00 C ATOM 1298 O GLY A 85 -2.803 4.883 1.977 1.00 0.00 O ATOM 0 H GLY A 85 -6.315 4.204 4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.477 3.959 4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.653 2.996 3.373 1.00 0.00 H new ATOM 1302 N LEU A 86 -5.010 5.182 1.591 1.00 0.00 N ATOM 1303 CA LEU A 86 -4.809 5.888 0.336 1.00 0.00 C ATOM 1304 C LEU A 86 -4.120 7.225 0.613 1.00 0.00 C ATOM 1305 O LEU A 86 -3.093 7.535 0.011 1.00 0.00 O ATOM 1306 CB LEU A 86 -6.131 6.022 -0.421 1.00 0.00 C ATOM 1307 CG LEU A 86 -6.762 4.716 -0.906 1.00 0.00 C ATOM 1308 CD1 LEU A 86 -8.184 4.951 -1.421 1.00 0.00 C ATOM 1309 CD2 LEU A 86 -5.878 4.036 -1.955 1.00 0.00 C ATOM 0 H LEU A 86 -5.986 5.064 1.862 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.150 5.319 -0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.847 6.530 0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.968 6.666 -1.285 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.835 4.037 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.609 4.006 -1.760 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.799 5.359 -0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.158 5.656 -2.252 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.350 3.110 -2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.750 4.701 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.904 3.813 -1.520 1.00 0.00 H new ATOM 1321 N GLN A 87 -4.713 7.982 1.525 1.00 0.00 N ATOM 1322 CA GLN A 87 -4.170 9.280 1.890 1.00 0.00 C ATOM 1323 C GLN A 87 -2.644 9.211 1.970 1.00 0.00 C ATOM 1324 O GLN A 87 -1.948 9.717 1.091 1.00 0.00 O ATOM 1325 CB GLN A 87 -4.768 9.774 3.208 1.00 0.00 C ATOM 1326 CG GLN A 87 -4.407 11.239 3.458 1.00 0.00 C ATOM 1327 CD GLN A 87 -5.666 12.096 3.607 1.00 0.00 C ATOM 1328 OE1 GLN A 87 -6.445 11.945 4.534 1.00 0.00 O ATOM 1329 NE2 GLN A 87 -5.821 13.002 2.645 1.00 0.00 N ATOM 0 H GLN A 87 -5.565 7.721 2.022 1.00 0.00 H new ATOM 0 HA GLN A 87 -4.442 9.998 1.116 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.852 9.662 3.184 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.402 9.160 4.031 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.800 11.319 4.360 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -3.803 11.614 2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -5.131 13.075 1.898 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -6.630 13.623 2.655 1.00 0.00 H new ATOM 1338 N LYS A 88 -2.167 8.583 3.034 1.00 0.00 N ATOM 1339 CA LYS A 88 -0.736 8.442 3.242 1.00 0.00 C ATOM 1340 C LYS A 88 -0.070 8.042 1.924 1.00 0.00 C ATOM 1341 O LYS A 88 0.911 8.658 1.508 1.00 0.00 O ATOM 1342 CB LYS A 88 -0.454 7.472 4.391 1.00 0.00 C ATOM 1343 CG LYS A 88 -0.601 8.169 5.746 1.00 0.00 C ATOM 1344 CD LYS A 88 -1.612 7.439 6.631 1.00 0.00 C ATOM 1345 CE LYS A 88 -2.423 8.429 7.470 1.00 0.00 C ATOM 1346 NZ LYS A 88 -3.121 7.727 8.570 1.00 0.00 N ATOM 0 H LYS A 88 -2.747 8.166 3.762 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.300 9.394 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.141 6.628 4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.554 7.069 4.293 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.366 8.206 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.921 9.200 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.284 6.848 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.090 6.743 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.763 9.193 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.149 8.940 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.666 8.414 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.766 7.014 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.422 7.259 9.182 1.00 0.00 H new ATOM 1360 N ALA A 89 -0.630 7.015 1.302 1.00 0.00 N ATOM 1361 CA ALA A 89 -0.103 6.527 0.040 1.00 0.00 C ATOM 1362 C ALA A 89 0.041 7.698 -0.935 1.00 0.00 C ATOM 1363 O ALA A 89 1.098 7.884 -1.535 1.00 0.00 O ATOM 1364 CB ALA A 89 -1.016 5.425 -0.504 1.00 0.00 C ATOM 0 H ALA A 89 -1.444 6.507 1.649 1.00 0.00 H new ATOM 0 HA ALA A 89 0.886 6.091 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.620 5.059 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.062 4.604 0.212 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.017 5.826 -0.660 1.00 0.00 H new ATOM 1370 N SER A 90 -1.037 8.457 -1.062 1.00 0.00 N ATOM 1371 CA SER A 90 -1.044 9.605 -1.953 1.00 0.00 C ATOM 1372 C SER A 90 0.018 10.614 -1.514 1.00 0.00 C ATOM 1373 O SER A 90 0.791 11.104 -2.336 1.00 0.00 O ATOM 1374 CB SER A 90 -2.423 10.266 -1.988 1.00 0.00 C ATOM 1375 OG SER A 90 -3.256 9.822 -0.921 1.00 0.00 O ATOM 0 H SER A 90 -1.912 8.300 -0.563 1.00 0.00 H new ATOM 0 HA SER A 90 -0.812 9.258 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.308 11.348 -1.931 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.906 10.046 -2.940 1.00 0.00 H new ATOM 0 HG SER A 90 -2.938 10.205 -0.077 1.00 0.00 H new ATOM 1381 N ILE A 91 0.021 10.897 -0.219 1.00 0.00 N ATOM 1382 CA ILE A 91 0.975 11.839 0.339 1.00 0.00 C ATOM 1383 C ILE A 91 2.380 11.492 -0.158 1.00 0.00 C ATOM 1384 O ILE A 91 3.125 12.369 -0.588 1.00 0.00 O ATOM 1385 CB ILE A 91 0.856 11.883 1.863 1.00 0.00 C ATOM 1386 CG1 ILE A 91 -0.471 12.514 2.292 1.00 0.00 C ATOM 1387 CG2 ILE A 91 2.057 12.596 2.488 1.00 0.00 C ATOM 1388 CD1 ILE A 91 -0.466 12.838 3.788 1.00 0.00 C ATOM 0 H ILE A 91 -0.623 10.490 0.459 1.00 0.00 H new ATOM 0 HA ILE A 91 0.756 12.850 -0.004 1.00 0.00 H new ATOM 0 HB ILE A 91 0.861 10.858 2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.647 13.425 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.291 11.833 2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.946 12.613 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.972 12.066 2.225 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.109 13.618 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.420 13.285 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.315 11.922 4.358 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.340 13.538 4.006 1.00 0.00 H new ATOM 1400 N PHE A 92 2.698 10.208 -0.083 1.00 0.00 N ATOM 1401 CA PHE A 92 4.000 9.733 -0.519 1.00 0.00 C ATOM 1402 C PHE A 92 4.143 9.844 -2.039 1.00 0.00 C ATOM 1403 O PHE A 92 5.242 9.713 -2.574 1.00 0.00 O ATOM 1404 CB PHE A 92 4.098 8.260 -0.116 1.00 0.00 C ATOM 1405 CG PHE A 92 5.296 7.527 -0.723 1.00 0.00 C ATOM 1406 CD1 PHE A 92 6.531 7.672 -0.172 1.00 0.00 C ATOM 1407 CD2 PHE A 92 5.125 6.730 -1.811 1.00 0.00 C ATOM 1408 CE1 PHE A 92 7.643 6.992 -0.735 1.00 0.00 C ATOM 1409 CE2 PHE A 92 6.238 6.049 -2.374 1.00 0.00 C ATOM 1410 CZ PHE A 92 7.473 6.195 -1.824 1.00 0.00 C ATOM 0 H PHE A 92 2.076 9.482 0.273 1.00 0.00 H new ATOM 0 HA PHE A 92 4.787 10.333 -0.061 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.157 8.194 0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 92 3.183 7.750 -0.417 1.00 0.00 H new ATOM 0 HD1 PHE A 92 6.666 8.304 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 92 4.144 6.614 -2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.624 7.108 -0.298 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.103 5.416 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.319 5.678 -2.252 1.00 0.00 H new ATOM 1420 N LEU A 93 3.015 10.085 -2.690 1.00 0.00 N ATOM 1421 CA LEU A 93 3.000 10.215 -4.137 1.00 0.00 C ATOM 1422 C LEU A 93 3.138 11.692 -4.514 1.00 0.00 C ATOM 1423 O LEU A 93 3.357 12.021 -5.679 1.00 0.00 O ATOM 1424 CB LEU A 93 1.756 9.544 -4.724 1.00 0.00 C ATOM 1425 CG LEU A 93 1.750 8.014 -4.711 1.00 0.00 C ATOM 1426 CD1 LEU A 93 0.810 7.461 -5.783 1.00 0.00 C ATOM 1427 CD2 LEU A 93 3.168 7.459 -4.847 1.00 0.00 C ATOM 0 H LEU A 93 2.105 10.194 -2.242 1.00 0.00 H new ATOM 0 HA LEU A 93 3.851 9.693 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.884 9.896 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.639 9.879 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 93 1.367 7.681 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.824 6.372 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.204 7.816 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.138 7.801 -6.765 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.135 6.370 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.603 7.798 -5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.778 7.813 -4.016 1.00 0.00 H new ATOM 1439 N LYS A 94 3.002 12.541 -3.507 1.00 0.00 N ATOM 1440 CA LYS A 94 3.108 13.975 -3.717 1.00 0.00 C ATOM 1441 C LYS A 94 4.331 14.507 -2.966 1.00 0.00 C ATOM 1442 O LYS A 94 5.176 15.184 -3.549 1.00 0.00 O ATOM 1443 CB LYS A 94 1.801 14.671 -3.335 1.00 0.00 C ATOM 1444 CG LYS A 94 0.841 13.696 -2.650 1.00 0.00 C ATOM 1445 CD LYS A 94 -0.356 14.437 -2.048 1.00 0.00 C ATOM 1446 CE LYS A 94 -1.185 15.117 -3.138 1.00 0.00 C ATOM 1447 NZ LYS A 94 -2.567 14.589 -3.144 1.00 0.00 N ATOM 0 H LYS A 94 2.819 12.264 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 94 3.262 14.195 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.012 15.508 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.330 15.084 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.491 12.958 -3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.368 13.151 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -0.981 13.736 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.005 15.183 -1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.202 16.194 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.722 14.952 -4.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.111 15.049 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.546 13.562 -3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.017 14.784 -2.227 1.00 0.00 H new ATOM 1461 N THR A 95 4.386 14.180 -1.683 1.00 0.00 N ATOM 1462 CA THR A 95 5.490 14.617 -0.847 1.00 0.00 C ATOM 1463 C THR A 95 6.715 13.729 -1.075 1.00 0.00 C ATOM 1464 O THR A 95 7.807 14.038 -0.599 1.00 0.00 O ATOM 1465 CB THR A 95 5.009 14.625 0.606 1.00 0.00 C ATOM 1466 OG1 THR A 95 5.004 13.251 0.979 1.00 0.00 O ATOM 1467 CG2 THR A 95 3.545 15.052 0.734 1.00 0.00 C ATOM 0 H THR A 95 3.684 13.618 -1.203 1.00 0.00 H new ATOM 0 HA THR A 95 5.806 15.628 -1.106 1.00 0.00 H new ATOM 0 HB THR A 95 5.636 15.296 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.382 12.758 0.404 1.00 0.00 H new ATOM 0 HG21 THR A 95 3.253 15.041 1.784 1.00 0.00 H new ATOM 0 HG22 THR A 95 3.423 16.059 0.334 1.00 0.00 H new ATOM 0 HG23 THR A 95 2.914 14.361 0.175 1.00 0.00 H new ATOM 1475 N ARG A 96 6.493 12.645 -1.802 1.00 0.00 N ATOM 1476 CA ARG A 96 7.565 11.710 -2.098 1.00 0.00 C ATOM 1477 C ARG A 96 8.495 11.567 -0.892 1.00 0.00 C ATOM 1478 O ARG A 96 9.710 11.713 -1.019 1.00 0.00 O ATOM 1479 CB ARG A 96 8.380 12.172 -3.309 1.00 0.00 C ATOM 1480 CG ARG A 96 7.542 12.115 -4.588 1.00 0.00 C ATOM 1481 CD ARG A 96 7.197 10.669 -4.954 1.00 0.00 C ATOM 1482 NE ARG A 96 7.990 10.242 -6.128 1.00 0.00 N ATOM 1483 CZ ARG A 96 7.829 10.739 -7.363 1.00 0.00 C ATOM 1484 NH1 ARG A 96 6.906 11.682 -7.591 1.00 0.00 N ATOM 1485 NH2 ARG A 96 8.594 10.292 -8.369 1.00 0.00 N ATOM 0 H ARG A 96 5.586 12.393 -2.195 1.00 0.00 H new ATOM 0 HA ARG A 96 7.110 10.746 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.734 13.190 -3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.262 11.542 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.625 12.688 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.090 12.580 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.401 10.012 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.133 10.585 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 96 8.703 9.526 -5.989 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.325 12.023 -6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.784 12.060 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.298 9.574 -8.195 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.472 10.669 -9.309 1.00 0.00 H new ATOM 1499 N VAL A 97 7.889 11.284 0.252 1.00 0.00 N ATOM 1500 CA VAL A 97 8.647 11.120 1.481 1.00 0.00 C ATOM 1501 C VAL A 97 7.732 10.551 2.567 1.00 0.00 C ATOM 1502 O VAL A 97 6.815 11.229 3.029 1.00 0.00 O ATOM 1503 CB VAL A 97 9.292 12.449 1.878 1.00 0.00 C ATOM 1504 CG1 VAL A 97 8.228 13.496 2.214 1.00 0.00 C ATOM 1505 CG2 VAL A 97 10.263 12.259 3.045 1.00 0.00 C ATOM 0 H VAL A 97 6.881 11.164 0.354 1.00 0.00 H new ATOM 0 HA VAL A 97 9.461 10.409 1.337 1.00 0.00 H new ATOM 0 HB VAL A 97 9.862 12.814 1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.713 14.431 2.493 1.00 0.00 H new ATOM 0 HG12 VAL A 97 7.593 13.662 1.344 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.618 13.142 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 97 10.708 13.219 3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 97 9.725 11.861 3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.049 11.562 2.755 1.00 0.00 H new ATOM 1515 N VAL A 98 8.014 9.313 2.944 1.00 0.00 N ATOM 1516 CA VAL A 98 7.228 8.645 3.968 1.00 0.00 C ATOM 1517 C VAL A 98 7.357 9.412 5.285 1.00 0.00 C ATOM 1518 O VAL A 98 8.269 10.222 5.449 1.00 0.00 O ATOM 1519 CB VAL A 98 7.656 7.181 4.084 1.00 0.00 C ATOM 1520 CG1 VAL A 98 6.894 6.306 3.085 1.00 0.00 C ATOM 1521 CG2 VAL A 98 9.168 7.034 3.900 1.00 0.00 C ATOM 0 H VAL A 98 8.776 8.755 2.559 1.00 0.00 H new ATOM 0 HA VAL A 98 6.172 8.640 3.697 1.00 0.00 H new ATOM 0 HB VAL A 98 7.407 6.838 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.217 5.270 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.824 6.374 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.097 6.650 2.071 1.00 0.00 H new ATOM 0 HG21 VAL A 98 9.445 5.983 3.987 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.452 7.403 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.686 7.610 4.667 1.00 0.00 H new ATOM 1531 N PRO A 99 6.409 9.122 6.214 1.00 0.00 N ATOM 1532 CA PRO A 99 6.408 9.776 7.513 1.00 0.00 C ATOM 1533 C PRO A 99 7.509 9.209 8.411 1.00 0.00 C ATOM 1534 O PRO A 99 7.903 8.054 8.265 1.00 0.00 O ATOM 1535 CB PRO A 99 5.012 9.545 8.068 1.00 0.00 C ATOM 1536 CG PRO A 99 4.434 8.383 7.276 1.00 0.00 C ATOM 1537 CD PRO A 99 5.315 8.168 6.055 1.00 0.00 C ATOM 0 HA PRO A 99 6.625 10.842 7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 99 5.049 9.312 9.132 1.00 0.00 H new ATOM 0 HB3 PRO A 99 4.396 10.437 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 99 4.403 7.482 7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.409 8.599 6.974 1.00 0.00 H new ATOM 0 HD2 PRO A 99 5.686 7.144 6.010 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.764 8.348 5.132 1.00 0.00 H new ATOM 1545 N ASP A 100 7.977 10.052 9.321 1.00 0.00 N ATOM 1546 CA ASP A 100 9.026 9.652 10.243 1.00 0.00 C ATOM 1547 C ASP A 100 8.704 8.264 10.804 1.00 0.00 C ATOM 1548 O ASP A 100 9.605 7.459 11.034 1.00 0.00 O ATOM 1549 CB ASP A 100 9.126 10.624 11.421 1.00 0.00 C ATOM 1550 CG ASP A 100 10.233 10.308 12.427 1.00 0.00 C ATOM 1551 OD1 ASP A 100 10.666 9.135 12.446 1.00 0.00 O ATOM 1552 OD2 ASP A 100 10.621 11.245 13.158 1.00 0.00 O ATOM 0 H ASP A 100 7.648 11.010 9.439 1.00 0.00 H new ATOM 0 HA ASP A 100 9.970 9.648 9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.286 11.629 11.031 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.171 10.635 11.946 1.00 0.00 H new ATOM 1557 N ASN A 101 7.415 8.027 11.005 1.00 0.00 N ATOM 1558 CA ASN A 101 6.964 6.752 11.534 1.00 0.00 C ATOM 1559 C ASN A 101 7.587 5.618 10.719 1.00 0.00 C ATOM 1560 O ASN A 101 8.046 4.624 11.280 1.00 0.00 O ATOM 1561 CB ASN A 101 5.442 6.623 11.437 1.00 0.00 C ATOM 1562 CG ASN A 101 4.903 5.665 12.502 1.00 0.00 C ATOM 1563 OD1 ASN A 101 5.630 5.153 13.337 1.00 0.00 O ATOM 1564 ND2 ASN A 101 3.593 5.451 12.424 1.00 0.00 N ATOM 0 H ASN A 101 6.670 8.696 10.811 1.00 0.00 H new ATOM 0 HA ASN A 101 7.265 6.695 12.580 1.00 0.00 H new ATOM 0 HB2 ASN A 101 4.982 7.604 11.559 1.00 0.00 H new ATOM 0 HB3 ASN A 101 5.167 6.263 10.446 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.138 4.825 13.089 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.043 5.912 11.699 1.00 0.00 H new ATOM 1571 N TRP A 102 7.583 5.803 9.407 1.00 0.00 N ATOM 1572 CA TRP A 102 8.142 4.807 8.508 1.00 0.00 C ATOM 1573 C TRP A 102 9.646 4.720 8.776 1.00 0.00 C ATOM 1574 O TRP A 102 10.150 3.668 9.165 1.00 0.00 O ATOM 1575 CB TRP A 102 7.813 5.137 7.051 1.00 0.00 C ATOM 1576 CG TRP A 102 6.377 4.799 6.646 1.00 0.00 C ATOM 1577 CD1 TRP A 102 5.242 5.118 7.284 1.00 0.00 C ATOM 1578 CD2 TRP A 102 5.964 4.058 5.478 1.00 0.00 C ATOM 1579 NE1 TRP A 102 4.134 4.639 6.615 1.00 0.00 N ATOM 1580 CE2 TRP A 102 4.587 3.974 5.482 1.00 0.00 C ATOM 1581 CE3 TRP A 102 6.730 3.478 4.451 1.00 0.00 C ATOM 1582 CZ2 TRP A 102 3.856 3.319 4.485 1.00 0.00 C ATOM 1583 CZ3 TRP A 102 5.984 2.825 3.462 1.00 0.00 C ATOM 1584 CH2 TRP A 102 4.598 2.732 3.452 1.00 0.00 C ATOM 0 H TRP A 102 7.201 6.628 8.945 1.00 0.00 H new ATOM 0 HA TRP A 102 7.698 3.829 8.692 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.987 6.200 6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 102 8.500 4.594 6.402 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.200 5.679 8.206 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.161 4.752 6.900 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.808 3.532 4.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.777 3.269 4.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 6.524 2.361 2.650 1.00 0.00 H new ATOM 0 HH2 TRP A 102 4.095 2.210 2.652 1.00 0.00 H new