USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 557 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 Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -135:sc= -0.199 (180deg=-1.18) USER MOD Single : A 13 GLN : amide:sc= -3.82! K(o=-3.8!,f=-0.32) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.0233 (180deg=-0.431) USER MOD Single : A 18 HIS : no HD1:sc= -0.383 K(o=-0.38,f=-1.2) USER MOD Single : A 20 THR OG1 : rot 87:sc= 0.776 USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= -1.4 (180deg=-1.48) USER MOD Single : A 22 THR OG1 : rot -80:sc= 0.973 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -50:sc= 0.775 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 79:sc= 0.999 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 37 GLN : amide:sc= -3.08! C(o=-3.1!,f=-5.1!) USER MOD Single : A 38 GLN : amide:sc= -0.968 K(o=-0.97,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 75:sc= 0.137 USER MOD Single : A 51 LYS NZ :NH3+ -161:sc= -0.0303 (180deg=-0.379) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -9:sc= -0.733 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0214 (180deg=-0.357) USER MOD Single : A 62 SER OG : rot -77:sc= 0.885 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.164 -16.288 9.464 1.00 1.00 N ATOM 67 CA ALA A 6 0.140 -15.785 9.069 1.00 1.00 C ATOM 68 C ALA A 6 0.223 -15.672 7.560 1.00 1.00 C ATOM 69 O ALA A 6 0.229 -16.672 6.842 1.00 1.00 O ATOM 70 CB ALA A 6 1.235 -16.731 9.563 1.00 1.00 C ATOM 0 HA ALA A 6 0.281 -14.799 9.513 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.210 -16.347 9.263 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.192 -16.802 10.650 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.085 -17.719 9.129 1.00 1.00 H new ATOM 76 N SER A 7 0.284 -14.437 7.091 1.00 1.00 N ATOM 77 CA SER A 7 0.364 -14.167 5.667 1.00 1.00 C ATOM 78 C SER A 7 1.741 -14.534 5.135 1.00 1.00 C ATOM 79 O SER A 7 2.616 -14.961 5.886 1.00 1.00 O ATOM 80 CB SER A 7 0.087 -12.686 5.398 1.00 1.00 C ATOM 81 OG SER A 7 -1.249 -12.378 5.780 1.00 1.00 O ATOM 0 H SER A 7 0.280 -13.603 7.679 1.00 1.00 H new ATOM 0 HA SER A 7 -0.385 -14.772 5.157 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.789 -12.066 5.956 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.235 -12.463 4.341 1.00 1.00 H new ATOM 0 HG SER A 7 -1.427 -11.430 5.610 1.00 1.00 H new ATOM 87 N LEU A 8 1.917 -14.362 3.836 1.00 1.00 N ATOM 88 CA LEU A 8 3.185 -14.672 3.178 1.00 1.00 C ATOM 89 C LEU A 8 4.326 -13.850 3.775 1.00 1.00 C ATOM 90 O LEU A 8 5.475 -13.967 3.351 1.00 1.00 O ATOM 91 CB LEU A 8 3.081 -14.387 1.672 1.00 1.00 C ATOM 92 CG LEU A 8 2.340 -15.532 0.959 1.00 1.00 C ATOM 93 CD1 LEU A 8 3.179 -16.827 0.982 1.00 1.00 C ATOM 94 CD2 LEU A 8 0.990 -15.761 1.649 1.00 1.00 C ATOM 0 H LEU A 8 1.195 -14.007 3.208 1.00 1.00 H new ATOM 0 HA LEU A 8 3.398 -15.729 3.336 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.554 -13.447 1.509 1.00 1.00 H new ATOM 0 HB3 LEU A 8 4.078 -14.271 1.248 1.00 1.00 H new ATOM 0 HG LEU A 8 2.178 -15.257 -0.083 1.00 1.00 H new ATOM 0 HD11 LEU A 8 2.635 -17.622 0.472 1.00 1.00 H new ATOM 0 HD12 LEU A 8 4.128 -16.654 0.475 1.00 1.00 H new ATOM 0 HD13 LEU A 8 3.367 -17.120 2.015 1.00 1.00 H new ATOM 0 HD21 LEU A 8 0.459 -16.571 1.149 1.00 1.00 H new ATOM 0 HD22 LEU A 8 1.155 -16.025 2.693 1.00 1.00 H new ATOM 0 HD23 LEU A 8 0.395 -14.849 1.595 1.00 1.00 H new ATOM 106 N LEU A 9 4.013 -13.024 4.763 1.00 1.00 N ATOM 107 CA LEU A 9 5.016 -12.200 5.417 1.00 1.00 C ATOM 108 C LEU A 9 5.759 -13.005 6.485 1.00 1.00 C ATOM 109 O LEU A 9 6.728 -12.531 7.077 1.00 1.00 O ATOM 110 CB LEU A 9 4.327 -10.983 6.047 1.00 1.00 C ATOM 111 CG LEU A 9 3.993 -9.943 4.960 1.00 1.00 C ATOM 112 CD1 LEU A 9 5.279 -9.292 4.414 1.00 1.00 C ATOM 113 CD2 LEU A 9 3.225 -10.623 3.816 1.00 1.00 C ATOM 0 H LEU A 9 3.068 -12.907 5.129 1.00 1.00 H new ATOM 0 HA LEU A 9 5.747 -11.865 4.681 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.415 -11.295 6.556 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.976 -10.537 6.801 1.00 1.00 H new ATOM 0 HG LEU A 9 3.374 -9.162 5.402 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.020 -8.561 3.648 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.808 -8.794 5.227 1.00 1.00 H new ATOM 0 HD13 LEU A 9 5.920 -10.060 3.981 1.00 1.00 H new ATOM 0 HD21 LEU A 9 2.989 -9.887 3.048 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.839 -11.413 3.385 1.00 1.00 H new ATOM 0 HD23 LEU A 9 2.301 -11.052 4.203 1.00 1.00 H new ATOM 125 N SER A 10 5.285 -14.219 6.732 1.00 1.00 N ATOM 126 CA SER A 10 5.904 -15.072 7.739 1.00 1.00 C ATOM 127 C SER A 10 7.335 -15.419 7.370 1.00 1.00 C ATOM 128 O SER A 10 8.276 -15.030 8.063 1.00 1.00 O ATOM 129 CB SER A 10 5.089 -16.353 7.936 1.00 1.00 C ATOM 130 OG SER A 10 5.359 -16.879 9.229 1.00 1.00 O ATOM 0 H SER A 10 4.483 -14.632 6.255 1.00 1.00 H new ATOM 0 HA SER A 10 5.921 -14.514 8.675 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.025 -16.142 7.830 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.347 -17.085 7.170 1.00 1.00 H new ATOM 0 HG SER A 10 4.839 -17.699 9.364 1.00 1.00 H new ATOM 136 N PHE A 11 7.497 -16.170 6.295 1.00 1.00 N ATOM 137 CA PHE A 11 8.827 -16.577 5.876 1.00 1.00 C ATOM 138 C PHE A 11 9.790 -15.397 5.947 1.00 1.00 C ATOM 139 O PHE A 11 10.893 -15.518 6.477 1.00 1.00 O ATOM 140 CB PHE A 11 8.777 -17.106 4.445 1.00 1.00 C ATOM 141 CG PHE A 11 8.020 -18.411 4.418 1.00 1.00 C ATOM 142 CD1 PHE A 11 8.693 -19.615 4.652 1.00 1.00 C ATOM 143 CD2 PHE A 11 6.645 -18.414 4.159 1.00 1.00 C ATOM 144 CE1 PHE A 11 7.990 -20.824 4.624 1.00 1.00 C ATOM 145 CE2 PHE A 11 5.942 -19.624 4.129 1.00 1.00 C ATOM 146 CZ PHE A 11 6.615 -20.830 4.363 1.00 1.00 C ATOM 0 H PHE A 11 6.737 -16.506 5.704 1.00 1.00 H new ATOM 0 HA PHE A 11 9.179 -17.363 6.545 1.00 1.00 H new ATOM 0 HB2 PHE A 11 8.293 -16.379 3.794 1.00 1.00 H new ATOM 0 HB3 PHE A 11 9.788 -17.252 4.064 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.754 -19.611 4.854 1.00 1.00 H new ATOM 0 HD2 PHE A 11 6.126 -17.483 3.982 1.00 1.00 H new ATOM 0 HE1 PHE A 11 8.509 -21.754 4.804 1.00 1.00 H new ATOM 0 HE2 PHE A 11 4.881 -19.628 3.926 1.00 1.00 H new ATOM 0 HZ PHE A 11 6.073 -21.764 4.342 1.00 1.00 H new ATOM 156 N MET A 12 9.381 -14.269 5.383 1.00 1.00 N ATOM 157 CA MET A 12 10.239 -13.086 5.362 1.00 1.00 C ATOM 158 C MET A 12 10.532 -12.603 6.776 1.00 1.00 C ATOM 159 O MET A 12 11.665 -12.691 7.243 1.00 1.00 O ATOM 160 CB MET A 12 9.553 -11.967 4.570 1.00 1.00 C ATOM 161 CG MET A 12 9.394 -12.384 3.103 1.00 1.00 C ATOM 162 SD MET A 12 11.023 -12.548 2.325 1.00 1.00 S ATOM 163 CE MET A 12 11.494 -10.798 2.366 1.00 1.00 C ATOM 0 H MET A 12 8.472 -14.145 4.938 1.00 1.00 H new ATOM 0 HA MET A 12 11.182 -13.352 4.885 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.576 -11.750 5.003 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.141 -11.051 4.635 1.00 1.00 H new ATOM 0 HG2 MET A 12 8.856 -13.330 3.042 1.00 1.00 H new ATOM 0 HG3 MET A 12 8.799 -11.643 2.568 1.00 1.00 H new ATOM 0 HE1 MET A 12 11.919 -10.513 1.404 1.00 1.00 H new ATOM 0 HE2 MET A 12 10.613 -10.189 2.568 1.00 1.00 H new ATOM 0 HE3 MET A 12 12.233 -10.639 3.151 1.00 1.00 H new ATOM 173 N GLN A 13 9.503 -12.086 7.444 1.00 1.00 N ATOM 174 CA GLN A 13 9.649 -11.581 8.815 1.00 1.00 C ATOM 175 C GLN A 13 10.700 -12.390 9.578 1.00 1.00 C ATOM 176 O GLN A 13 11.647 -11.829 10.128 1.00 1.00 O ATOM 177 CB GLN A 13 8.303 -11.657 9.544 1.00 1.00 C ATOM 178 CG GLN A 13 7.406 -10.496 9.103 1.00 1.00 C ATOM 179 CD GLN A 13 6.019 -10.663 9.714 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.770 -10.199 10.826 1.00 1.00 O ATOM 181 NE2 GLN A 13 5.101 -11.311 9.052 1.00 1.00 N ATOM 0 H GLN A 13 8.560 -12.004 7.063 1.00 1.00 H new ATOM 0 HA GLN A 13 9.976 -10.542 8.769 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.815 -12.608 9.328 1.00 1.00 H new ATOM 0 HB3 GLN A 13 8.460 -11.618 10.622 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.841 -9.547 9.417 1.00 1.00 H new ATOM 0 HG3 GLN A 13 7.335 -10.470 8.016 1.00 1.00 H new ATOM 0 HE21 GLN A 13 5.311 -11.694 8.130 1.00 1.00 H new ATOM 0 HE22 GLN A 13 4.173 -11.435 9.456 1.00 1.00 H new ATOM 190 N GLY A 14 10.529 -13.707 9.602 1.00 1.00 N ATOM 191 CA GLY A 14 11.471 -14.573 10.296 1.00 1.00 C ATOM 192 C GLY A 14 12.830 -14.601 9.591 1.00 1.00 C ATOM 193 O GLY A 14 13.872 -14.635 10.237 1.00 1.00 O ATOM 0 H GLY A 14 9.753 -14.194 9.153 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.599 -14.226 11.321 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.067 -15.584 10.350 1.00 1.00 H new ATOM 197 N TYR A 15 12.814 -14.604 8.264 1.00 1.00 N ATOM 198 CA TYR A 15 14.062 -14.647 7.502 1.00 1.00 C ATOM 199 C TYR A 15 15.062 -13.656 8.049 1.00 1.00 C ATOM 200 O TYR A 15 16.128 -14.041 8.530 1.00 1.00 O ATOM 201 CB TYR A 15 13.785 -14.359 6.021 1.00 1.00 C ATOM 202 CG TYR A 15 15.044 -14.535 5.216 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.416 -15.810 4.782 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.832 -13.424 4.893 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.579 -15.979 4.024 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.995 -13.592 4.136 1.00 1.00 C ATOM 207 CZ TYR A 15 17.369 -14.869 3.700 1.00 1.00 C ATOM 208 OH TYR A 15 18.514 -15.033 2.952 1.00 1.00 O ATOM 0 H TYR A 15 11.966 -14.578 7.697 1.00 1.00 H new ATOM 0 HA TYR A 15 14.487 -15.646 7.596 1.00 1.00 H new ATOM 0 HB2 TYR A 15 13.010 -15.030 5.651 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.408 -13.343 5.904 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.805 -16.665 5.032 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.542 -12.439 5.228 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.868 -16.964 3.689 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.605 -12.736 3.887 1.00 1.00 H new ATOM 0 HH TYR A 15 18.944 -14.163 2.816 1.00 1.00 H new ATOM 218 N MET A 16 14.732 -12.392 7.966 1.00 1.00 N ATOM 219 CA MET A 16 15.641 -11.379 8.455 1.00 1.00 C ATOM 220 C MET A 16 15.974 -11.661 9.909 1.00 1.00 C ATOM 221 O MET A 16 17.072 -11.353 10.372 1.00 1.00 O ATOM 222 CB MET A 16 14.990 -10.000 8.337 1.00 1.00 C ATOM 223 CG MET A 16 14.848 -9.613 6.862 1.00 1.00 C ATOM 224 SD MET A 16 14.049 -7.990 6.745 1.00 1.00 S ATOM 225 CE MET A 16 13.776 -7.996 4.955 1.00 1.00 C ATOM 0 H MET A 16 13.859 -12.041 7.573 1.00 1.00 H new ATOM 0 HA MET A 16 16.555 -11.396 7.861 1.00 1.00 H new ATOM 0 HB2 MET A 16 14.011 -10.009 8.815 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.593 -9.258 8.860 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.828 -9.584 6.385 1.00 1.00 H new ATOM 0 HG3 MET A 16 14.258 -10.361 6.333 1.00 1.00 H new ATOM 0 HE1 MET A 16 13.284 -7.069 4.659 1.00 1.00 H new ATOM 0 HE2 MET A 16 14.734 -8.079 4.441 1.00 1.00 H new ATOM 0 HE3 MET A 16 13.145 -8.843 4.686 1.00 1.00 H new ATOM 235 N LYS A 17 15.033 -12.256 10.628 1.00 1.00 N ATOM 236 CA LYS A 17 15.275 -12.576 12.030 1.00 1.00 C ATOM 237 C LYS A 17 16.408 -13.592 12.158 1.00 1.00 C ATOM 238 O LYS A 17 17.311 -13.434 12.978 1.00 1.00 O ATOM 239 CB LYS A 17 13.996 -13.112 12.691 1.00 1.00 C ATOM 240 CG LYS A 17 14.072 -12.918 14.209 1.00 1.00 C ATOM 241 CD LYS A 17 12.742 -13.337 14.834 1.00 1.00 C ATOM 242 CE LYS A 17 12.825 -13.198 16.354 1.00 1.00 C ATOM 243 NZ LYS A 17 13.016 -11.764 16.708 1.00 1.00 N ATOM 0 H LYS A 17 14.114 -12.523 10.275 1.00 1.00 H new ATOM 0 HA LYS A 17 15.570 -11.662 12.545 1.00 1.00 H new ATOM 0 HB2 LYS A 17 13.125 -12.592 12.292 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.871 -14.169 12.457 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.886 -13.512 14.624 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.286 -11.876 14.445 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.934 -12.717 14.445 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.510 -14.368 14.565 1.00 1.00 H new ATOM 0 HE2 LYS A 17 11.915 -13.580 16.816 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.652 -13.793 16.740 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 12.756 -11.615 17.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 14.012 -11.501 16.568 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.413 -11.173 16.100 1.00 1.00 H new ATOM 257 N HIS A 18 16.336 -14.644 11.342 1.00 1.00 N ATOM 258 CA HIS A 18 17.343 -15.699 11.364 1.00 1.00 C ATOM 259 C HIS A 18 18.616 -15.271 10.645 1.00 1.00 C ATOM 260 O HIS A 18 19.716 -15.434 11.170 1.00 1.00 O ATOM 261 CB HIS A 18 16.788 -16.963 10.707 1.00 1.00 C ATOM 262 CG HIS A 18 17.808 -18.066 10.801 1.00 1.00 C ATOM 263 ND1 HIS A 18 18.843 -18.196 9.888 1.00 1.00 N ATOM 264 CD2 HIS A 18 17.963 -19.099 11.693 1.00 1.00 C ATOM 265 CE1 HIS A 18 19.567 -19.272 10.248 1.00 1.00 C ATOM 266 NE2 HIS A 18 19.074 -19.858 11.341 1.00 1.00 N ATOM 0 H HIS A 18 15.591 -14.786 10.660 1.00 1.00 H new ATOM 0 HA HIS A 18 17.591 -15.901 12.406 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.863 -17.265 11.199 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.544 -16.766 9.663 1.00 1.00 H new ATOM 0 HD2 HIS A 18 17.320 -19.292 12.539 1.00 1.00 H new ATOM 0 HE1 HIS A 18 20.441 -19.619 9.717 1.00 1.00 H new ATOM 0 HE2 HIS A 18 19.435 -20.685 11.816 1.00 1.00 H new ATOM 274 N ALA A 19 18.475 -14.746 9.429 1.00 1.00 N ATOM 275 CA ALA A 19 19.644 -14.339 8.654 1.00 1.00 C ATOM 276 C ALA A 19 20.491 -13.346 9.420 1.00 1.00 C ATOM 277 O ALA A 19 21.687 -13.201 9.159 1.00 1.00 O ATOM 278 CB ALA A 19 19.190 -13.720 7.333 1.00 1.00 C ATOM 0 H ALA A 19 17.579 -14.595 8.966 1.00 1.00 H new ATOM 0 HA ALA A 19 20.252 -15.223 8.460 1.00 1.00 H new ATOM 0 HB1 ALA A 19 20.063 -13.416 6.755 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.616 -14.453 6.766 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.567 -12.849 7.535 1.00 1.00 H new ATOM 284 N THR A 20 19.882 -12.689 10.375 1.00 1.00 N ATOM 285 CA THR A 20 20.609 -11.731 11.195 1.00 1.00 C ATOM 286 C THR A 20 21.651 -12.472 12.033 1.00 1.00 C ATOM 287 O THR A 20 22.617 -11.878 12.509 1.00 1.00 O ATOM 288 CB THR A 20 19.632 -10.982 12.110 1.00 1.00 C ATOM 289 OG1 THR A 20 18.840 -10.100 11.329 1.00 1.00 O ATOM 290 CG2 THR A 20 20.402 -10.181 13.163 1.00 1.00 C ATOM 0 H THR A 20 18.895 -12.793 10.609 1.00 1.00 H new ATOM 0 HA THR A 20 21.112 -11.008 10.553 1.00 1.00 H new ATOM 0 HB THR A 20 18.991 -11.705 12.615 1.00 1.00 H new ATOM 0 HG1 THR A 20 18.057 -10.580 10.986 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.697 -9.654 13.806 1.00 1.00 H new ATOM 0 HG22 THR A 20 21.006 -10.859 13.766 1.00 1.00 H new ATOM 0 HG23 THR A 20 21.051 -9.459 12.668 1.00 1.00 H new ATOM 298 N LYS A 21 21.458 -13.777 12.178 1.00 1.00 N ATOM 299 CA LYS A 21 22.402 -14.599 12.929 1.00 1.00 C ATOM 300 C LYS A 21 23.746 -14.689 12.214 1.00 1.00 C ATOM 301 O LYS A 21 24.801 -14.687 12.851 1.00 1.00 O ATOM 302 CB LYS A 21 21.841 -15.999 13.161 1.00 1.00 C ATOM 303 CG LYS A 21 20.650 -15.902 14.113 1.00 1.00 C ATOM 304 CD LYS A 21 20.066 -17.294 14.343 1.00 1.00 C ATOM 305 CE LYS A 21 18.942 -17.213 15.378 1.00 1.00 C ATOM 306 NZ LYS A 21 17.831 -16.376 14.844 1.00 1.00 N ATOM 0 H LYS A 21 20.664 -14.287 11.790 1.00 1.00 H new ATOM 0 HA LYS A 21 22.557 -14.119 13.895 1.00 1.00 H new ATOM 0 HB2 LYS A 21 21.532 -16.443 12.215 1.00 1.00 H new ATOM 0 HB3 LYS A 21 22.609 -16.648 13.582 1.00 1.00 H new ATOM 0 HG2 LYS A 21 20.964 -15.467 15.062 1.00 1.00 H new ATOM 0 HG3 LYS A 21 19.890 -15.242 13.695 1.00 1.00 H new ATOM 0 HD2 LYS A 21 19.683 -17.698 13.406 1.00 1.00 H new ATOM 0 HD3 LYS A 21 20.845 -17.974 14.689 1.00 1.00 H new ATOM 0 HE2 LYS A 21 18.577 -18.213 15.613 1.00 1.00 H new ATOM 0 HE3 LYS A 21 19.319 -16.785 16.307 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 17.148 -16.181 15.603 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 18.214 -15.479 14.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 17.354 -16.883 14.071 1.00 1.00 H new ATOM 320 N THR A 22 23.701 -14.787 10.888 1.00 1.00 N ATOM 321 CA THR A 22 24.926 -14.904 10.098 1.00 1.00 C ATOM 322 C THR A 22 25.837 -13.692 10.298 1.00 1.00 C ATOM 323 O THR A 22 27.007 -13.717 9.921 1.00 1.00 O ATOM 324 CB THR A 22 24.577 -15.047 8.614 1.00 1.00 C ATOM 325 OG1 THR A 22 23.784 -13.941 8.207 1.00 1.00 O ATOM 326 CG2 THR A 22 23.796 -16.345 8.396 1.00 1.00 C ATOM 0 H THR A 22 22.840 -14.788 10.341 1.00 1.00 H new ATOM 0 HA THR A 22 25.461 -15.791 10.437 1.00 1.00 H new ATOM 0 HB THR A 22 25.494 -15.073 8.025 1.00 1.00 H new ATOM 0 HG1 THR A 22 22.854 -14.088 8.478 1.00 1.00 H new ATOM 0 HG21 THR A 22 23.547 -16.447 7.340 1.00 1.00 H new ATOM 0 HG22 THR A 22 24.405 -17.193 8.709 1.00 1.00 H new ATOM 0 HG23 THR A 22 22.878 -16.321 8.984 1.00 1.00 H new ATOM 334 N ALA A 23 25.294 -12.641 10.893 1.00 1.00 N ATOM 335 CA ALA A 23 26.058 -11.432 11.145 1.00 1.00 C ATOM 336 C ALA A 23 27.383 -11.777 11.807 1.00 1.00 C ATOM 337 O ALA A 23 28.438 -11.380 11.332 1.00 1.00 O ATOM 338 CB ALA A 23 25.259 -10.493 12.048 1.00 1.00 C ATOM 0 H ALA A 23 24.325 -12.602 11.210 1.00 1.00 H new ATOM 0 HA ALA A 23 26.256 -10.936 10.195 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.837 -9.588 12.234 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.320 -10.231 11.560 1.00 1.00 H new ATOM 0 HB3 ALA A 23 25.049 -10.990 12.995 1.00 1.00 H new ATOM 344 N LYS A 24 27.325 -12.525 12.902 1.00 1.00 N ATOM 345 CA LYS A 24 28.540 -12.922 13.609 1.00 1.00 C ATOM 346 C LYS A 24 29.543 -13.541 12.630 1.00 1.00 C ATOM 347 O LYS A 24 30.547 -12.930 12.274 1.00 1.00 O ATOM 348 CB LYS A 24 28.165 -13.933 14.695 1.00 1.00 C ATOM 349 CG LYS A 24 29.398 -14.313 15.509 1.00 1.00 C ATOM 350 CD LYS A 24 28.979 -15.252 16.642 1.00 1.00 C ATOM 351 CE LYS A 24 30.206 -15.624 17.473 1.00 1.00 C ATOM 352 NZ LYS A 24 29.799 -16.513 18.597 1.00 1.00 N ATOM 0 H LYS A 24 26.459 -12.867 13.318 1.00 1.00 H new ATOM 0 HA LYS A 24 29.005 -12.048 14.065 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.404 -13.509 15.350 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.732 -14.824 14.239 1.00 1.00 H new ATOM 0 HG2 LYS A 24 30.135 -14.800 14.870 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.870 -13.419 15.916 1.00 1.00 H new ATOM 0 HD2 LYS A 24 28.232 -14.769 17.272 1.00 1.00 H new ATOM 0 HD3 LYS A 24 28.517 -16.151 16.233 1.00 1.00 H new ATOM 0 HE2 LYS A 24 30.943 -16.127 16.847 1.00 1.00 H new ATOM 0 HE3 LYS A 24 30.681 -14.723 17.862 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 30.636 -16.765 19.161 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 29.111 -16.018 19.200 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 29.365 -17.378 18.216 1.00 1.00 H new ATOM 366 N ASP A 25 29.263 -14.770 12.227 1.00 1.00 N ATOM 367 CA ASP A 25 30.143 -15.501 11.321 1.00 1.00 C ATOM 368 C ASP A 25 30.565 -14.575 10.192 1.00 1.00 C ATOM 369 O ASP A 25 31.729 -14.557 9.791 1.00 1.00 O ATOM 370 CB ASP A 25 29.413 -16.718 10.751 1.00 1.00 C ATOM 371 CG ASP A 25 30.299 -17.449 9.747 1.00 1.00 C ATOM 372 OD1 ASP A 25 31.380 -16.958 9.467 1.00 1.00 O ATOM 373 OD2 ASP A 25 29.882 -18.494 9.272 1.00 1.00 O ATOM 0 H ASP A 25 28.431 -15.286 12.513 1.00 1.00 H new ATOM 0 HA ASP A 25 31.023 -15.846 11.863 1.00 1.00 H new ATOM 0 HB2 ASP A 25 29.134 -17.394 11.559 1.00 1.00 H new ATOM 0 HB3 ASP A 25 28.489 -16.402 10.267 1.00 1.00 H new ATOM 378 N ALA A 26 29.622 -13.781 9.713 1.00 1.00 N ATOM 379 CA ALA A 26 29.919 -12.826 8.662 1.00 1.00 C ATOM 380 C ALA A 26 30.846 -11.739 9.206 1.00 1.00 C ATOM 381 O ALA A 26 31.766 -11.298 8.522 1.00 1.00 O ATOM 382 CB ALA A 26 28.624 -12.188 8.157 1.00 1.00 C ATOM 0 H ALA A 26 28.653 -13.779 10.032 1.00 1.00 H new ATOM 0 HA ALA A 26 30.409 -13.343 7.837 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.855 -11.472 7.368 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.966 -12.963 7.763 1.00 1.00 H new ATOM 0 HB3 ALA A 26 28.127 -11.674 8.980 1.00 1.00 H new ATOM 388 N LEU A 27 30.584 -11.304 10.440 1.00 1.00 N ATOM 389 CA LEU A 27 31.400 -10.253 11.061 1.00 1.00 C ATOM 390 C LEU A 27 32.852 -10.679 11.161 1.00 1.00 C ATOM 391 O LEU A 27 33.757 -9.911 10.854 1.00 1.00 O ATOM 392 CB LEU A 27 30.849 -9.892 12.455 1.00 1.00 C ATOM 393 CG LEU A 27 31.735 -8.807 13.132 1.00 1.00 C ATOM 394 CD1 LEU A 27 30.850 -7.800 13.881 1.00 1.00 C ATOM 395 CD2 LEU A 27 32.701 -9.455 14.142 1.00 1.00 C ATOM 0 H LEU A 27 29.825 -11.656 11.024 1.00 1.00 H new ATOM 0 HA LEU A 27 31.349 -9.368 10.426 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.826 -9.528 12.364 1.00 1.00 H new ATOM 0 HB3 LEU A 27 30.816 -10.784 13.081 1.00 1.00 H new ATOM 0 HG LEU A 27 32.305 -8.299 12.354 1.00 1.00 H new ATOM 0 HD11 LEU A 27 31.478 -7.044 14.352 1.00 1.00 H new ATOM 0 HD12 LEU A 27 30.170 -7.320 13.178 1.00 1.00 H new ATOM 0 HD13 LEU A 27 30.273 -8.321 14.646 1.00 1.00 H new ATOM 0 HD21 LEU A 27 33.314 -8.682 14.607 1.00 1.00 H new ATOM 0 HD22 LEU A 27 32.129 -9.975 14.910 1.00 1.00 H new ATOM 0 HD23 LEU A 27 33.345 -10.166 13.625 1.00 1.00 H new ATOM 407 N SER A 28 33.068 -11.896 11.595 1.00 1.00 N ATOM 408 CA SER A 28 34.420 -12.412 11.729 1.00 1.00 C ATOM 409 C SER A 28 35.100 -12.403 10.366 1.00 1.00 C ATOM 410 O SER A 28 36.321 -12.322 10.267 1.00 1.00 O ATOM 411 CB SER A 28 34.381 -13.836 12.281 1.00 1.00 C ATOM 412 OG SER A 28 34.054 -13.792 13.662 1.00 1.00 O ATOM 0 H SER A 28 32.333 -12.550 11.862 1.00 1.00 H new ATOM 0 HA SER A 28 34.982 -11.782 12.419 1.00 1.00 H new ATOM 0 HB2 SER A 28 33.644 -14.429 11.739 1.00 1.00 H new ATOM 0 HB3 SER A 28 35.347 -14.321 12.139 1.00 1.00 H new ATOM 0 HG SER A 28 34.026 -14.704 14.021 1.00 1.00 H new ATOM 418 N SER A 29 34.278 -12.492 9.324 1.00 1.00 N ATOM 419 CA SER A 29 34.803 -12.501 7.951 1.00 1.00 C ATOM 420 C SER A 29 35.246 -11.104 7.501 1.00 1.00 C ATOM 421 O SER A 29 35.710 -10.931 6.372 1.00 1.00 O ATOM 422 CB SER A 29 33.767 -13.046 6.966 1.00 1.00 C ATOM 423 OG SER A 29 32.879 -12.006 6.587 1.00 1.00 O ATOM 0 H SER A 29 33.263 -12.558 9.395 1.00 1.00 H new ATOM 0 HA SER A 29 35.674 -13.157 7.955 1.00 1.00 H new ATOM 0 HB2 SER A 29 34.265 -13.452 6.086 1.00 1.00 H new ATOM 0 HB3 SER A 29 33.211 -13.865 7.423 1.00 1.00 H new ATOM 0 HG SER A 29 32.538 -11.558 7.389 1.00 1.00 H new ATOM 429 N VAL A 30 35.099 -10.106 8.371 1.00 1.00 N ATOM 430 CA VAL A 30 35.477 -8.731 8.026 1.00 1.00 C ATOM 431 C VAL A 30 36.923 -8.625 7.537 1.00 1.00 C ATOM 432 O VAL A 30 37.398 -7.532 7.252 1.00 1.00 O ATOM 433 CB VAL A 30 35.283 -7.807 9.234 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.772 -7.626 9.507 1.00 1.00 C ATOM 435 CG2 VAL A 30 36.003 -8.397 10.470 1.00 1.00 C ATOM 0 H VAL A 30 34.724 -10.219 9.313 1.00 1.00 H new ATOM 0 HA VAL A 30 34.825 -8.423 7.209 1.00 1.00 H new ATOM 0 HB VAL A 30 35.717 -6.830 9.023 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.634 -6.969 10.366 1.00 1.00 H new ATOM 0 HG12 VAL A 30 33.294 -7.185 8.632 1.00 1.00 H new ATOM 0 HG13 VAL A 30 33.321 -8.596 9.716 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.861 -7.735 11.324 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.588 -9.379 10.699 1.00 1.00 H new ATOM 0 HG23 VAL A 30 37.068 -8.493 10.259 1.00 1.00 H new ATOM 445 N GLN A 31 37.616 -9.755 7.452 1.00 1.00 N ATOM 446 CA GLN A 31 39.012 -9.772 6.995 1.00 1.00 C ATOM 447 C GLN A 31 39.198 -8.880 5.783 1.00 1.00 C ATOM 448 O GLN A 31 40.319 -8.518 5.434 1.00 1.00 O ATOM 449 CB GLN A 31 39.404 -11.213 6.651 1.00 1.00 C ATOM 450 CG GLN A 31 40.872 -11.282 6.219 1.00 1.00 C ATOM 451 CD GLN A 31 41.284 -12.738 6.016 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.716 -13.433 5.174 1.00 1.00 O ATOM 453 NE2 GLN A 31 42.242 -13.241 6.744 1.00 1.00 N ATOM 0 H GLN A 31 37.240 -10.672 7.692 1.00 1.00 H new ATOM 0 HA GLN A 31 39.651 -9.391 7.792 1.00 1.00 H new ATOM 0 HB2 GLN A 31 39.243 -11.856 7.516 1.00 1.00 H new ATOM 0 HB3 GLN A 31 38.766 -11.589 5.851 1.00 1.00 H new ATOM 0 HG2 GLN A 31 41.015 -10.722 5.295 1.00 1.00 H new ATOM 0 HG3 GLN A 31 41.505 -10.817 6.975 1.00 1.00 H new ATOM 0 HE21 GLN A 31 42.711 -12.662 7.441 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.523 -14.213 6.616 1.00 1.00 H new ATOM 462 N GLU A 32 38.100 -8.493 5.165 1.00 1.00 N ATOM 463 CA GLU A 32 38.175 -7.609 4.022 1.00 1.00 C ATOM 464 C GLU A 32 38.500 -6.202 4.515 1.00 1.00 C ATOM 465 O GLU A 32 38.722 -5.289 3.725 1.00 1.00 O ATOM 466 CB GLU A 32 36.842 -7.623 3.275 1.00 1.00 C ATOM 467 CG GLU A 32 36.985 -6.881 1.944 1.00 1.00 C ATOM 468 CD GLU A 32 35.728 -7.077 1.103 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.747 -7.560 1.644 1.00 1.00 O ATOM 470 OE2 GLU A 32 35.767 -6.744 -0.069 1.00 1.00 O ATOM 0 H GLU A 32 37.156 -8.773 5.432 1.00 1.00 H new ATOM 0 HA GLU A 32 38.955 -7.940 3.337 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.526 -8.651 3.097 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.069 -7.152 3.883 1.00 1.00 H new ATOM 0 HG2 GLU A 32 37.150 -5.819 2.126 1.00 1.00 H new ATOM 0 HG3 GLU A 32 37.856 -7.251 1.403 1.00 1.00 H new ATOM 477 N SER A 33 38.542 -6.039 5.839 1.00 1.00 N ATOM 478 CA SER A 33 38.849 -4.742 6.430 1.00 1.00 C ATOM 479 C SER A 33 40.167 -4.234 5.883 1.00 1.00 C ATOM 480 O SER A 33 40.517 -3.068 6.053 1.00 1.00 O ATOM 481 CB SER A 33 38.923 -4.836 7.957 1.00 1.00 C ATOM 482 OG SER A 33 37.740 -5.451 8.449 1.00 1.00 O ATOM 0 H SER A 33 38.369 -6.784 6.514 1.00 1.00 H new ATOM 0 HA SER A 33 38.050 -4.047 6.170 1.00 1.00 H new ATOM 0 HB2 SER A 33 39.798 -5.414 8.255 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.036 -3.842 8.389 1.00 1.00 H new ATOM 0 HG SER A 33 37.800 -6.421 8.326 1.00 1.00 H new ATOM 488 N GLN A 34 40.900 -5.121 5.225 1.00 1.00 N ATOM 489 CA GLN A 34 42.189 -4.733 4.657 1.00 1.00 C ATOM 490 C GLN A 34 42.063 -3.455 3.828 1.00 1.00 C ATOM 491 O GLN A 34 43.072 -2.887 3.411 1.00 1.00 O ATOM 492 CB GLN A 34 42.743 -5.853 3.784 1.00 1.00 C ATOM 493 CG GLN A 34 43.151 -7.020 4.673 1.00 1.00 C ATOM 494 CD GLN A 34 43.595 -8.194 3.817 1.00 1.00 C ATOM 495 OE1 GLN A 34 43.656 -8.084 2.592 1.00 1.00 O ATOM 496 NE2 GLN A 34 43.910 -9.318 4.393 1.00 1.00 N ATOM 0 H GLN A 34 40.635 -6.094 5.072 1.00 1.00 H new ATOM 0 HA GLN A 34 42.874 -4.546 5.484 1.00 1.00 H new ATOM 0 HB2 GLN A 34 41.992 -6.174 3.062 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.601 -5.496 3.214 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.960 -6.717 5.337 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.314 -7.316 5.305 1.00 1.00 H new ATOM 0 HE21 GLN A 34 43.858 -9.403 5.408 1.00 1.00 H new ATOM 0 HE22 GLN A 34 44.209 -10.114 3.829 1.00 1.00 H new ATOM 505 N VAL A 35 40.824 -3.026 3.562 1.00 1.00 N ATOM 506 CA VAL A 35 40.579 -1.819 2.760 1.00 1.00 C ATOM 507 C VAL A 35 41.600 -0.717 3.078 1.00 1.00 C ATOM 508 O VAL A 35 41.787 0.211 2.294 1.00 1.00 O ATOM 509 CB VAL A 35 39.164 -1.289 3.036 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.117 -2.240 2.438 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.943 -1.177 4.553 1.00 1.00 C ATOM 0 H VAL A 35 39.978 -3.493 3.888 1.00 1.00 H new ATOM 0 HA VAL A 35 40.680 -2.091 1.709 1.00 1.00 H new ATOM 0 HB VAL A 35 39.059 -0.307 2.576 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.118 -1.854 2.640 1.00 1.00 H new ATOM 0 HG12 VAL A 35 38.266 -2.315 1.361 1.00 1.00 H new ATOM 0 HG13 VAL A 35 38.223 -3.227 2.888 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.939 -0.801 4.748 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.058 -2.160 5.011 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.676 -0.491 4.978 1.00 1.00 H new ATOM 521 N ALA A 36 42.283 -0.845 4.209 1.00 1.00 N ATOM 522 CA ALA A 36 43.313 0.120 4.588 1.00 1.00 C ATOM 523 C ALA A 36 44.274 0.333 3.422 1.00 1.00 C ATOM 524 O ALA A 36 44.324 1.417 2.840 1.00 1.00 O ATOM 525 CB ALA A 36 44.078 -0.409 5.799 1.00 1.00 C ATOM 0 H ALA A 36 42.145 -1.603 4.878 1.00 1.00 H new ATOM 0 HA ALA A 36 42.846 1.072 4.841 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.847 0.308 6.085 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.388 -0.552 6.631 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.545 -1.361 5.547 1.00 1.00 H new ATOM 531 N GLN A 37 45.043 -0.710 3.098 1.00 1.00 N ATOM 532 CA GLN A 37 46.014 -0.623 2.004 1.00 1.00 C ATOM 533 C GLN A 37 45.391 0.131 0.831 1.00 1.00 C ATOM 534 O GLN A 37 46.021 1.012 0.246 1.00 1.00 O ATOM 535 CB GLN A 37 46.442 -2.024 1.549 1.00 1.00 C ATOM 536 CG GLN A 37 47.370 -2.654 2.591 1.00 1.00 C ATOM 537 CD GLN A 37 46.577 -3.027 3.837 1.00 1.00 C ATOM 538 OE1 GLN A 37 46.541 -2.264 4.803 1.00 1.00 O ATOM 539 NE2 GLN A 37 45.934 -4.162 3.873 1.00 1.00 N ATOM 0 H GLN A 37 45.014 -1.613 3.571 1.00 1.00 H new ATOM 0 HA GLN A 37 46.896 -0.089 2.358 1.00 1.00 H new ATOM 0 HB2 GLN A 37 45.563 -2.653 1.406 1.00 1.00 H new ATOM 0 HB3 GLN A 37 46.951 -1.963 0.587 1.00 1.00 H new ATOM 0 HG2 GLN A 37 47.848 -3.541 2.175 1.00 1.00 H new ATOM 0 HG3 GLN A 37 48.165 -1.956 2.852 1.00 1.00 H new ATOM 0 HE21 GLN A 37 45.966 -4.792 3.071 1.00 1.00 H new ATOM 0 HE22 GLN A 37 45.400 -4.419 4.703 1.00 1.00 H new ATOM 548 N GLN A 38 44.145 -0.206 0.504 1.00 1.00 N ATOM 549 CA GLN A 38 43.446 0.461 -0.593 1.00 1.00 C ATOM 550 C GLN A 38 43.301 1.935 -0.260 1.00 1.00 C ATOM 551 O GLN A 38 43.819 2.790 -0.966 1.00 1.00 O ATOM 552 CB GLN A 38 42.059 -0.160 -0.777 1.00 1.00 C ATOM 553 CG GLN A 38 42.169 -1.685 -0.726 1.00 1.00 C ATOM 554 CD GLN A 38 43.157 -2.165 -1.776 1.00 1.00 C ATOM 555 OE1 GLN A 38 44.366 -1.993 -1.620 1.00 1.00 O ATOM 556 NE2 GLN A 38 42.712 -2.750 -2.851 1.00 1.00 N ATOM 0 H GLN A 38 43.603 -0.929 0.977 1.00 1.00 H new ATOM 0 HA GLN A 38 44.014 0.343 -1.516 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.385 0.192 0.004 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.633 0.152 -1.730 1.00 1.00 H new ATOM 0 HG2 GLN A 38 42.494 -2.002 0.265 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.192 -2.135 -0.900 1.00 1.00 H new ATOM 0 HE21 GLN A 38 41.710 -2.891 -2.977 1.00 1.00 H new ATOM 0 HE22 GLN A 38 43.366 -3.067 -3.567 1.00 1.00 H new ATOM 565 N ALA A 39 42.581 2.221 0.819 1.00 1.00 N ATOM 566 CA ALA A 39 42.380 3.608 1.238 1.00 1.00 C ATOM 567 C ALA A 39 43.708 4.360 1.120 1.00 1.00 C ATOM 568 O ALA A 39 43.792 5.393 0.452 1.00 1.00 O ATOM 569 CB ALA A 39 41.877 3.668 2.683 1.00 1.00 C ATOM 0 H ALA A 39 42.132 1.524 1.413 1.00 1.00 H new ATOM 0 HA ALA A 39 41.631 4.071 0.595 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.734 4.708 2.976 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.929 3.135 2.761 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.610 3.203 3.343 1.00 1.00 H new ATOM 575 N ARG A 40 44.745 3.820 1.763 1.00 1.00 N ATOM 576 CA ARG A 40 46.077 4.433 1.716 1.00 1.00 C ATOM 577 C ARG A 40 46.574 4.535 0.278 1.00 1.00 C ATOM 578 O ARG A 40 47.593 5.154 -0.014 1.00 1.00 O ATOM 579 CB ARG A 40 47.057 3.621 2.573 1.00 1.00 C ATOM 580 CG ARG A 40 48.331 4.431 2.822 1.00 1.00 C ATOM 581 CD ARG A 40 49.273 3.642 3.735 1.00 1.00 C ATOM 582 NE ARG A 40 49.748 2.438 3.063 1.00 1.00 N ATOM 583 CZ ARG A 40 50.542 1.574 3.684 1.00 1.00 C ATOM 584 NH1 ARG A 40 50.891 1.782 4.925 1.00 1.00 N ATOM 585 NH2 ARG A 40 50.977 0.516 3.054 1.00 1.00 N ATOM 0 H ARG A 40 44.691 2.966 2.319 1.00 1.00 H new ATOM 0 HA ARG A 40 46.012 5.443 2.120 1.00 1.00 H new ATOM 0 HB2 ARG A 40 46.591 3.359 3.523 1.00 1.00 H new ATOM 0 HB3 ARG A 40 47.303 2.686 2.070 1.00 1.00 H new ATOM 0 HG2 ARG A 40 48.825 4.650 1.875 1.00 1.00 H new ATOM 0 HG3 ARG A 40 48.081 5.388 3.280 1.00 1.00 H new ATOM 0 HD2 ARG A 40 50.121 4.266 4.018 1.00 1.00 H new ATOM 0 HD3 ARG A 40 48.755 3.371 4.655 1.00 1.00 H new ATOM 0 HE ARG A 40 49.465 2.257 2.100 1.00 1.00 H new ATOM 0 HH11 ARG A 40 50.554 2.609 5.418 1.00 1.00 H new ATOM 0 HH12 ARG A 40 51.501 1.118 5.401 1.00 1.00 H new ATOM 0 HH21 ARG A 40 50.707 0.353 2.084 1.00 1.00 H new ATOM 0 HH22 ARG A 40 51.587 -0.147 3.532 1.00 1.00 H new ATOM 599 N GLY A 41 45.799 3.945 -0.592 1.00 1.00 N ATOM 600 CA GLY A 41 46.092 3.976 -2.017 1.00 1.00 C ATOM 601 C GLY A 41 45.679 5.326 -2.587 1.00 1.00 C ATOM 602 O GLY A 41 46.497 6.072 -3.126 1.00 1.00 O ATOM 0 H GLY A 41 44.953 3.432 -0.346 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.156 3.808 -2.185 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.558 3.174 -2.527 1.00 1.00 H new ATOM 606 N TRP A 42 44.384 5.606 -2.500 1.00 1.00 N ATOM 607 CA TRP A 42 43.843 6.848 -3.058 1.00 1.00 C ATOM 608 C TRP A 42 44.689 8.040 -2.634 1.00 1.00 C ATOM 609 O TRP A 42 44.659 9.096 -3.265 1.00 1.00 O ATOM 610 CB TRP A 42 42.391 7.057 -2.625 1.00 1.00 C ATOM 611 CG TRP A 42 41.510 6.051 -3.298 1.00 1.00 C ATOM 612 CD1 TRP A 42 40.937 4.992 -2.681 1.00 1.00 C ATOM 613 CD2 TRP A 42 41.084 5.987 -4.696 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.189 4.284 -3.603 1.00 1.00 N ATOM 615 CE2 TRP A 42 40.249 4.855 -4.859 1.00 1.00 C ATOM 616 CE3 TRP A 42 41.339 6.789 -5.825 1.00 1.00 C ATOM 617 CZ2 TRP A 42 39.686 4.531 -6.095 1.00 1.00 C ATOM 618 CZ3 TRP A 42 40.774 6.463 -7.071 1.00 1.00 C ATOM 619 CH2 TRP A 42 39.949 5.337 -7.204 1.00 1.00 C ATOM 0 H TRP A 42 43.693 5.001 -2.055 1.00 1.00 H new ATOM 0 HA TRP A 42 43.871 6.765 -4.144 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.307 6.960 -1.543 1.00 1.00 H new ATOM 0 HB3 TRP A 42 42.067 8.066 -2.881 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.046 4.740 -1.636 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.657 3.442 -3.382 1.00 1.00 H new ATOM 0 HE3 TRP A 42 41.972 7.659 -5.734 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 39.051 3.663 -6.192 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 40.977 7.084 -7.931 1.00 1.00 H new ATOM 0 HH2 TRP A 42 39.517 5.094 -8.164 1.00 1.00 H new ATOM 630 N VAL A 43 45.449 7.853 -1.565 1.00 1.00 N ATOM 631 CA VAL A 43 46.321 8.904 -1.054 1.00 1.00 C ATOM 632 C VAL A 43 47.247 9.431 -2.147 1.00 1.00 C ATOM 633 O VAL A 43 47.133 10.580 -2.574 1.00 1.00 O ATOM 634 CB VAL A 43 47.147 8.359 0.106 1.00 1.00 C ATOM 635 CG1 VAL A 43 48.187 9.393 0.540 1.00 1.00 C ATOM 636 CG2 VAL A 43 46.215 8.047 1.277 1.00 1.00 C ATOM 0 H VAL A 43 45.480 6.983 -1.033 1.00 1.00 H new ATOM 0 HA VAL A 43 45.700 9.731 -0.709 1.00 1.00 H new ATOM 0 HB VAL A 43 47.662 7.452 -0.210 1.00 1.00 H new ATOM 0 HG11 VAL A 43 48.772 8.995 1.369 1.00 1.00 H new ATOM 0 HG12 VAL A 43 48.849 9.617 -0.297 1.00 1.00 H new ATOM 0 HG13 VAL A 43 47.682 10.305 0.857 1.00 1.00 H new ATOM 0 HG21 VAL A 43 46.797 7.656 2.112 1.00 1.00 H new ATOM 0 HG22 VAL A 43 45.703 8.958 1.587 1.00 1.00 H new ATOM 0 HG23 VAL A 43 45.480 7.304 0.969 1.00 1.00 H new ATOM 646 N THR A 44 48.178 8.584 -2.581 1.00 1.00 N ATOM 647 CA THR A 44 49.139 8.978 -3.606 1.00 1.00 C ATOM 648 C THR A 44 48.415 9.613 -4.785 1.00 1.00 C ATOM 649 O THR A 44 48.937 10.520 -5.433 1.00 1.00 O ATOM 650 CB THR A 44 49.945 7.754 -4.069 1.00 1.00 C ATOM 651 OG1 THR A 44 51.142 8.190 -4.699 1.00 1.00 O ATOM 652 CG2 THR A 44 49.122 6.914 -5.052 1.00 1.00 C ATOM 0 H THR A 44 48.286 7.628 -2.242 1.00 1.00 H new ATOM 0 HA THR A 44 49.827 9.711 -3.185 1.00 1.00 H new ATOM 0 HB THR A 44 50.188 7.140 -3.202 1.00 1.00 H new ATOM 0 HG1 THR A 44 51.659 7.411 -4.994 1.00 1.00 H new ATOM 0 HG21 THR A 44 49.706 6.051 -5.371 1.00 1.00 H new ATOM 0 HG22 THR A 44 48.209 6.574 -4.564 1.00 1.00 H new ATOM 0 HG23 THR A 44 48.865 7.519 -5.921 1.00 1.00 H new ATOM 660 N ASP A 45 47.212 9.132 -5.052 1.00 1.00 N ATOM 661 CA ASP A 45 46.416 9.655 -6.151 1.00 1.00 C ATOM 662 C ASP A 45 45.872 11.040 -5.799 1.00 1.00 C ATOM 663 O ASP A 45 44.881 11.490 -6.373 1.00 1.00 O ATOM 664 CB ASP A 45 45.255 8.706 -6.453 1.00 1.00 C ATOM 665 CG ASP A 45 45.788 7.398 -7.032 1.00 1.00 C ATOM 666 OD1 ASP A 45 46.953 7.364 -7.391 1.00 1.00 O ATOM 667 OD2 ASP A 45 45.023 6.451 -7.110 1.00 1.00 O ATOM 0 H ASP A 45 46.766 8.382 -4.524 1.00 1.00 H new ATOM 0 HA ASP A 45 47.051 9.738 -7.033 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.691 8.507 -5.542 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.567 9.172 -7.159 1.00 1.00 H new ATOM 672 N GLY A 46 46.536 11.714 -4.861 1.00 1.00 N ATOM 673 CA GLY A 46 46.110 13.050 -4.463 1.00 1.00 C ATOM 674 C GLY A 46 44.682 13.021 -3.931 1.00 1.00 C ATOM 675 O GLY A 46 43.834 13.800 -4.367 1.00 1.00 O ATOM 0 H GLY A 46 47.358 11.362 -4.370 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.781 13.439 -3.697 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.173 13.727 -5.315 1.00 1.00 H new ATOM 679 N PHE A 47 44.422 12.134 -2.975 1.00 1.00 N ATOM 680 CA PHE A 47 43.093 12.036 -2.383 1.00 1.00 C ATOM 681 C PHE A 47 42.570 13.417 -2.002 1.00 1.00 C ATOM 682 O PHE A 47 41.363 13.622 -1.886 1.00 1.00 O ATOM 683 CB PHE A 47 43.136 11.140 -1.142 1.00 1.00 C ATOM 684 CG PHE A 47 41.776 11.125 -0.485 1.00 1.00 C ATOM 685 CD1 PHE A 47 40.727 10.403 -1.067 1.00 1.00 C ATOM 686 CD2 PHE A 47 41.561 11.835 0.702 1.00 1.00 C ATOM 687 CE1 PHE A 47 39.464 10.393 -0.465 1.00 1.00 C ATOM 688 CE2 PHE A 47 40.298 11.826 1.305 1.00 1.00 C ATOM 689 CZ PHE A 47 39.249 11.104 0.723 1.00 1.00 C ATOM 0 H PHE A 47 45.107 11.479 -2.597 1.00 1.00 H new ATOM 0 HA PHE A 47 42.420 11.599 -3.121 1.00 1.00 H new ATOM 0 HB2 PHE A 47 43.428 10.128 -1.421 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.886 11.507 -0.441 1.00 1.00 H new ATOM 0 HD1 PHE A 47 40.893 9.853 -1.982 1.00 1.00 H new ATOM 0 HD2 PHE A 47 42.370 12.390 1.153 1.00 1.00 H new ATOM 0 HE1 PHE A 47 38.655 9.837 -0.916 1.00 1.00 H new ATOM 0 HE2 PHE A 47 40.132 12.376 2.220 1.00 1.00 H new ATOM 0 HZ PHE A 47 38.275 11.095 1.189 1.00 1.00 H new ATOM 699 N SER A 48 43.484 14.358 -1.796 1.00 1.00 N ATOM 700 CA SER A 48 43.095 15.707 -1.411 1.00 1.00 C ATOM 701 C SER A 48 41.976 16.216 -2.305 1.00 1.00 C ATOM 702 O SER A 48 41.181 17.065 -1.898 1.00 1.00 O ATOM 703 CB SER A 48 44.287 16.658 -1.506 1.00 1.00 C ATOM 704 OG SER A 48 45.335 16.180 -0.673 1.00 1.00 O ATOM 0 H SER A 48 44.489 14.213 -1.888 1.00 1.00 H new ATOM 0 HA SER A 48 42.744 15.672 -0.380 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.630 16.728 -2.538 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.992 17.662 -1.200 1.00 1.00 H new ATOM 0 HG SER A 48 46.103 16.786 -0.732 1.00 1.00 H new ATOM 710 N SER A 49 41.918 15.717 -3.534 1.00 1.00 N ATOM 711 CA SER A 49 40.901 16.162 -4.471 1.00 1.00 C ATOM 712 C SER A 49 39.518 16.133 -3.828 1.00 1.00 C ATOM 713 O SER A 49 38.585 16.767 -4.322 1.00 1.00 O ATOM 714 CB SER A 49 40.909 15.253 -5.700 1.00 1.00 C ATOM 715 OG SER A 49 42.126 15.435 -6.413 1.00 1.00 O ATOM 0 H SER A 49 42.557 15.011 -3.900 1.00 1.00 H new ATOM 0 HA SER A 49 41.125 17.188 -4.764 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.805 14.211 -5.396 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.060 15.484 -6.343 1.00 1.00 H new ATOM 0 HG SER A 49 42.855 14.985 -5.936 1.00 1.00 H new ATOM 721 N LEU A 50 39.392 15.432 -2.705 1.00 1.00 N ATOM 722 CA LEU A 50 38.119 15.386 -1.991 1.00 1.00 C ATOM 723 C LEU A 50 37.939 16.672 -1.188 1.00 1.00 C ATOM 724 O LEU A 50 36.819 17.137 -0.985 1.00 1.00 O ATOM 725 CB LEU A 50 38.068 14.156 -1.060 1.00 1.00 C ATOM 726 CG LEU A 50 37.509 12.931 -1.811 1.00 1.00 C ATOM 727 CD1 LEU A 50 36.021 13.144 -2.174 1.00 1.00 C ATOM 728 CD2 LEU A 50 38.337 12.698 -3.084 1.00 1.00 C ATOM 0 H LEU A 50 40.144 14.895 -2.274 1.00 1.00 H new ATOM 0 HA LEU A 50 37.307 15.299 -2.713 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.067 13.935 -0.685 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.444 14.374 -0.194 1.00 1.00 H new ATOM 0 HG LEU A 50 37.577 12.056 -1.165 1.00 1.00 H new ATOM 0 HD11 LEU A 50 35.647 12.268 -2.703 1.00 1.00 H new ATOM 0 HD12 LEU A 50 35.442 13.292 -1.263 1.00 1.00 H new ATOM 0 HD13 LEU A 50 35.924 14.022 -2.812 1.00 1.00 H new ATOM 0 HD21 LEU A 50 37.946 11.833 -3.619 1.00 1.00 H new ATOM 0 HD22 LEU A 50 38.276 13.578 -3.724 1.00 1.00 H new ATOM 0 HD23 LEU A 50 39.377 12.518 -2.813 1.00 1.00 H new ATOM 740 N LYS A 51 39.056 17.237 -0.739 1.00 1.00 N ATOM 741 CA LYS A 51 39.022 18.472 0.039 1.00 1.00 C ATOM 742 C LYS A 51 38.356 19.579 -0.769 1.00 1.00 C ATOM 743 O LYS A 51 37.491 20.294 -0.268 1.00 1.00 O ATOM 744 CB LYS A 51 40.449 18.886 0.404 1.00 1.00 C ATOM 745 CG LYS A 51 40.405 20.091 1.344 1.00 1.00 C ATOM 746 CD LYS A 51 41.822 20.430 1.810 1.00 1.00 C ATOM 747 CE LYS A 51 41.767 21.617 2.773 1.00 1.00 C ATOM 748 NZ LYS A 51 41.320 22.834 2.038 1.00 1.00 N ATOM 0 H LYS A 51 39.991 16.862 -0.899 1.00 1.00 H new ATOM 0 HA LYS A 51 38.448 18.305 0.951 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.969 18.056 0.883 1.00 1.00 H new ATOM 0 HB3 LYS A 51 41.009 19.135 -0.498 1.00 1.00 H new ATOM 0 HG2 LYS A 51 39.965 20.947 0.833 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.771 19.872 2.203 1.00 1.00 H new ATOM 0 HD2 LYS A 51 42.271 19.568 2.303 1.00 1.00 H new ATOM 0 HD3 LYS A 51 42.451 20.671 0.953 1.00 1.00 H new ATOM 0 HE2 LYS A 51 41.082 21.402 3.593 1.00 1.00 H new ATOM 0 HE3 LYS A 51 42.749 21.786 3.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 41.583 23.682 2.579 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 41.777 22.863 1.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 40.287 22.807 1.917 1.00 1.00 H new ATOM 762 N ASP A 52 38.758 19.702 -2.030 1.00 1.00 N ATOM 763 CA ASP A 52 38.178 20.716 -2.904 1.00 1.00 C ATOM 764 C ASP A 52 36.673 20.506 -3.009 1.00 1.00 C ATOM 765 O ASP A 52 35.885 21.380 -2.645 1.00 1.00 O ATOM 766 CB ASP A 52 38.811 20.652 -4.293 1.00 1.00 C ATOM 767 CG ASP A 52 38.116 21.641 -5.224 1.00 1.00 C ATOM 768 OD1 ASP A 52 37.360 22.460 -4.729 1.00 1.00 O ATOM 769 OD2 ASP A 52 38.348 21.563 -6.420 1.00 1.00 O ATOM 0 H ASP A 52 39.474 19.120 -2.466 1.00 1.00 H new ATOM 0 HA ASP A 52 38.376 21.700 -2.478 1.00 1.00 H new ATOM 0 HB2 ASP A 52 39.874 20.884 -4.229 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.729 19.642 -4.694 1.00 1.00 H new ATOM 774 N TYR A 53 36.281 19.351 -3.534 1.00 1.00 N ATOM 775 CA TYR A 53 34.865 19.052 -3.710 1.00 1.00 C ATOM 776 C TYR A 53 34.152 19.097 -2.366 1.00 1.00 C ATOM 777 O TYR A 53 33.058 19.649 -2.257 1.00 1.00 O ATOM 778 CB TYR A 53 34.700 17.666 -4.342 1.00 1.00 C ATOM 779 CG TYR A 53 33.241 17.408 -4.648 1.00 1.00 C ATOM 780 CD1 TYR A 53 32.654 17.991 -5.779 1.00 1.00 C ATOM 781 CD2 TYR A 53 32.477 16.584 -3.810 1.00 1.00 C ATOM 782 CE1 TYR A 53 31.307 17.749 -6.074 1.00 1.00 C ATOM 783 CE2 TYR A 53 31.128 16.343 -4.107 1.00 1.00 C ATOM 784 CZ TYR A 53 30.544 16.926 -5.238 1.00 1.00 C ATOM 785 OH TYR A 53 29.215 16.688 -5.529 1.00 1.00 O ATOM 0 H TYR A 53 36.915 18.614 -3.842 1.00 1.00 H new ATOM 0 HA TYR A 53 34.424 19.799 -4.370 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.289 17.602 -5.257 1.00 1.00 H new ATOM 0 HB3 TYR A 53 35.079 16.901 -3.665 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.241 18.628 -6.424 1.00 1.00 H new ATOM 0 HD2 TYR A 53 32.927 16.135 -2.937 1.00 1.00 H new ATOM 0 HE1 TYR A 53 30.857 18.198 -6.947 1.00 1.00 H new ATOM 0 HE2 TYR A 53 30.539 15.707 -3.463 1.00 1.00 H new ATOM 0 HH TYR A 53 28.832 16.095 -4.849 1.00 1.00 H new ATOM 795 N TRP A 54 34.773 18.524 -1.345 1.00 1.00 N ATOM 796 CA TRP A 54 34.174 18.526 -0.020 1.00 1.00 C ATOM 797 C TRP A 54 34.096 19.950 0.523 1.00 1.00 C ATOM 798 O TRP A 54 33.026 20.423 0.903 1.00 1.00 O ATOM 799 CB TRP A 54 35.016 17.668 0.924 1.00 1.00 C ATOM 800 CG TRP A 54 34.402 17.667 2.281 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.350 16.905 2.654 1.00 1.00 C ATOM 802 CD2 TRP A 54 34.789 18.437 3.454 1.00 1.00 C ATOM 803 NE1 TRP A 54 33.061 17.163 3.980 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.921 18.101 4.518 1.00 1.00 C ATOM 805 CE3 TRP A 54 35.795 19.391 3.695 1.00 1.00 C ATOM 806 CZ2 TRP A 54 34.049 18.684 5.779 1.00 1.00 C ATOM 807 CZ3 TRP A 54 35.928 19.980 4.963 1.00 1.00 C ATOM 808 CH2 TRP A 54 35.053 19.628 6.002 1.00 1.00 C ATOM 0 H TRP A 54 35.678 18.058 -1.407 1.00 1.00 H new ATOM 0 HA TRP A 54 33.166 18.117 -0.089 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.082 16.649 0.543 1.00 1.00 H new ATOM 0 HB3 TRP A 54 36.033 18.056 0.975 1.00 1.00 H new ATOM 0 HD1 TRP A 54 32.822 16.209 2.020 1.00 1.00 H new ATOM 0 HE1 TRP A 54 32.305 16.716 4.499 1.00 1.00 H new ATOM 0 HE3 TRP A 54 36.469 19.672 2.900 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.376 18.407 6.577 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 36.707 20.707 5.139 1.00 1.00 H new ATOM 0 HH2 TRP A 54 35.156 20.087 6.974 1.00 1.00 H new ATOM 819 N SER A 55 35.243 20.623 0.558 1.00 1.00 N ATOM 820 CA SER A 55 35.302 21.990 1.059 1.00 1.00 C ATOM 821 C SER A 55 34.200 22.837 0.436 1.00 1.00 C ATOM 822 O SER A 55 33.629 23.710 1.089 1.00 1.00 O ATOM 823 CB SER A 55 36.666 22.613 0.752 1.00 1.00 C ATOM 824 OG SER A 55 36.669 23.968 1.180 1.00 1.00 O ATOM 0 H SER A 55 36.138 20.246 0.247 1.00 1.00 H new ATOM 0 HA SER A 55 35.158 21.962 2.139 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.455 22.058 1.259 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.873 22.556 -0.317 1.00 1.00 H new ATOM 0 HG SER A 55 37.541 24.370 0.987 1.00 1.00 H new ATOM 830 N THR A 56 33.897 22.562 -0.826 1.00 1.00 N ATOM 831 CA THR A 56 32.844 23.301 -1.516 1.00 1.00 C ATOM 832 C THR A 56 31.467 22.815 -1.073 1.00 1.00 C ATOM 833 O THR A 56 30.776 23.492 -0.310 1.00 1.00 O ATOM 834 CB THR A 56 32.991 23.129 -3.026 1.00 1.00 C ATOM 835 OG1 THR A 56 33.165 21.753 -3.330 1.00 1.00 O ATOM 836 CG2 THR A 56 34.206 23.919 -3.508 1.00 1.00 C ATOM 0 H THR A 56 34.356 21.844 -1.387 1.00 1.00 H new ATOM 0 HA THR A 56 32.939 24.357 -1.262 1.00 1.00 H new ATOM 0 HB THR A 56 32.096 23.498 -3.526 1.00 1.00 H new ATOM 0 HG1 THR A 56 33.296 21.249 -2.500 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.314 23.798 -4.586 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.070 24.975 -3.273 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.102 23.548 -3.010 1.00 1.00 H new ATOM 844 N VAL A 57 31.064 21.647 -1.576 1.00 1.00 N ATOM 845 CA VAL A 57 29.752 21.081 -1.244 1.00 1.00 C ATOM 846 C VAL A 57 29.411 21.332 0.220 1.00 1.00 C ATOM 847 O VAL A 57 28.459 22.051 0.528 1.00 1.00 O ATOM 848 CB VAL A 57 29.737 19.572 -1.520 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.429 18.957 -1.008 1.00 1.00 C ATOM 850 CG2 VAL A 57 29.852 19.325 -3.027 1.00 1.00 C ATOM 0 H VAL A 57 31.622 21.076 -2.211 1.00 1.00 H new ATOM 0 HA VAL A 57 29.006 21.570 -1.870 1.00 1.00 H new ATOM 0 HB VAL A 57 30.579 19.110 -1.005 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.428 17.886 -1.208 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.344 19.125 0.066 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.585 19.422 -1.517 1.00 1.00 H new ATOM 0 HG21 VAL A 57 29.841 18.253 -3.222 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.012 19.795 -3.538 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.785 19.751 -3.395 1.00 1.00 H new ATOM 860 N LYS A 58 30.183 20.728 1.118 1.00 1.00 N ATOM 861 CA LYS A 58 29.947 20.889 2.547 1.00 1.00 C ATOM 862 C LYS A 58 29.587 22.337 2.870 1.00 1.00 C ATOM 863 O LYS A 58 28.484 22.623 3.329 1.00 1.00 O ATOM 864 CB LYS A 58 31.210 20.473 3.319 1.00 1.00 C ATOM 865 CG LYS A 58 30.846 19.978 4.724 1.00 1.00 C ATOM 866 CD LYS A 58 30.021 21.039 5.451 1.00 1.00 C ATOM 867 CE LYS A 58 29.920 20.680 6.931 1.00 1.00 C ATOM 868 NZ LYS A 58 29.182 21.758 7.645 1.00 1.00 N ATOM 0 H LYS A 58 30.972 20.126 0.883 1.00 1.00 H new ATOM 0 HA LYS A 58 29.112 20.255 2.845 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.733 19.687 2.775 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.894 21.319 3.391 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.281 19.048 4.657 1.00 1.00 H new ATOM 0 HG3 LYS A 58 31.753 19.760 5.288 1.00 1.00 H new ATOM 0 HD2 LYS A 58 30.485 22.018 5.334 1.00 1.00 H new ATOM 0 HD3 LYS A 58 29.025 21.104 5.013 1.00 1.00 H new ATOM 0 HE2 LYS A 58 29.404 19.727 7.052 1.00 1.00 H new ATOM 0 HE3 LYS A 58 30.916 20.560 7.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 29.110 21.519 8.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 29.692 22.658 7.538 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 28.228 21.851 7.242 1.00 1.00 H new ATOM 882 N ASP A 59 30.526 23.243 2.635 1.00 1.00 N ATOM 883 CA ASP A 59 30.286 24.651 2.918 1.00 1.00 C ATOM 884 C ASP A 59 29.104 25.160 2.106 1.00 1.00 C ATOM 885 O ASP A 59 28.239 25.861 2.631 1.00 1.00 O ATOM 886 CB ASP A 59 31.533 25.473 2.579 1.00 1.00 C ATOM 887 CG ASP A 59 32.634 25.200 3.598 1.00 1.00 C ATOM 888 OD1 ASP A 59 32.328 24.643 4.640 1.00 1.00 O ATOM 889 OD2 ASP A 59 33.770 25.554 3.322 1.00 1.00 O ATOM 0 H ASP A 59 31.449 23.033 2.254 1.00 1.00 H new ATOM 0 HA ASP A 59 30.060 24.758 3.979 1.00 1.00 H new ATOM 0 HB2 ASP A 59 31.883 25.221 1.578 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.287 26.535 2.573 1.00 1.00 H new ATOM 894 N LYS A 60 29.073 24.816 0.825 1.00 1.00 N ATOM 895 CA LYS A 60 27.994 25.259 -0.049 1.00 1.00 C ATOM 896 C LYS A 60 26.676 24.644 0.377 1.00 1.00 C ATOM 897 O LYS A 60 25.613 25.030 -0.106 1.00 1.00 O ATOM 898 CB LYS A 60 28.330 24.849 -1.488 1.00 1.00 C ATOM 899 CG LYS A 60 27.364 25.506 -2.475 1.00 1.00 C ATOM 900 CD LYS A 60 27.788 25.159 -3.904 1.00 1.00 C ATOM 901 CE LYS A 60 26.845 25.847 -4.890 1.00 1.00 C ATOM 902 NZ LYS A 60 25.487 25.246 -4.778 1.00 1.00 N ATOM 0 H LYS A 60 29.778 24.235 0.370 1.00 1.00 H new ATOM 0 HA LYS A 60 27.894 26.343 0.015 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.354 25.139 -1.725 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.276 23.765 -1.585 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.347 25.160 -2.291 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.363 26.587 -2.336 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.815 25.481 -4.080 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.763 24.079 -4.051 1.00 1.00 H new ATOM 0 HE2 LYS A 60 26.800 26.916 -4.681 1.00 1.00 H new ATOM 0 HE3 LYS A 60 27.221 25.736 -5.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 24.933 25.480 -5.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 25.571 24.213 -4.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 25.008 25.625 -3.936 1.00 1.00 H new ATOM 916 N PHE A 61 26.740 23.697 1.292 1.00 1.00 N ATOM 917 CA PHE A 61 25.527 23.063 1.767 1.00 1.00 C ATOM 918 C PHE A 61 24.653 24.108 2.448 1.00 1.00 C ATOM 919 O PHE A 61 23.442 23.932 2.576 1.00 1.00 O ATOM 920 CB PHE A 61 25.870 21.950 2.759 1.00 1.00 C ATOM 921 CG PHE A 61 24.653 21.090 2.998 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.334 20.066 2.098 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.847 21.311 4.121 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.208 19.265 2.321 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.721 20.510 4.344 1.00 1.00 C ATOM 926 CZ PHE A 61 22.402 19.487 3.444 1.00 1.00 C ATOM 0 H PHE A 61 27.603 23.354 1.715 1.00 1.00 H new ATOM 0 HA PHE A 61 24.991 22.628 0.923 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.687 21.342 2.370 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.213 22.381 3.700 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.956 19.894 1.232 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.094 22.100 4.816 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.961 18.476 1.627 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.099 20.681 5.210 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.534 18.868 3.616 1.00 1.00 H new ATOM 936 N SER A 62 25.277 25.211 2.865 1.00 1.00 N ATOM 937 CA SER A 62 24.529 26.287 3.511 1.00 1.00 C ATOM 938 C SER A 62 23.654 27.032 2.504 1.00 1.00 C ATOM 939 O SER A 62 22.447 27.174 2.697 1.00 1.00 O ATOM 940 CB SER A 62 25.478 27.267 4.196 1.00 1.00 C ATOM 941 OG SER A 62 26.361 27.823 3.234 1.00 1.00 O ATOM 0 H SER A 62 26.278 25.380 2.769 1.00 1.00 H new ATOM 0 HA SER A 62 23.883 25.834 4.263 1.00 1.00 H new ATOM 0 HB2 SER A 62 24.910 28.059 4.684 1.00 1.00 H new ATOM 0 HB3 SER A 62 26.046 26.756 4.974 1.00 1.00 H new ATOM 0 HG SER A 62 27.061 27.172 3.018 1.00 1.00 H new ATOM 947 N GLU A 63 24.286 27.522 1.436 1.00 1.00 N ATOM 948 CA GLU A 63 23.570 28.274 0.405 1.00 1.00 C ATOM 949 C GLU A 63 22.706 27.358 -0.444 1.00 1.00 C ATOM 950 O GLU A 63 21.636 27.751 -0.909 1.00 1.00 O ATOM 951 CB GLU A 63 24.563 29.009 -0.490 1.00 1.00 C ATOM 952 CG GLU A 63 25.261 30.102 0.319 1.00 1.00 C ATOM 953 CD GLU A 63 26.312 30.792 -0.541 1.00 1.00 C ATOM 954 OE1 GLU A 63 27.002 30.096 -1.270 1.00 1.00 O ATOM 955 OE2 GLU A 63 26.414 32.004 -0.459 1.00 1.00 O ATOM 0 H GLU A 63 25.285 27.413 1.263 1.00 1.00 H new ATOM 0 HA GLU A 63 22.922 28.994 0.905 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.298 28.309 -0.888 1.00 1.00 H new ATOM 0 HB3 GLU A 63 24.046 29.447 -1.344 1.00 1.00 H new ATOM 0 HG2 GLU A 63 24.530 30.830 0.669 1.00 1.00 H new ATOM 0 HG3 GLU A 63 25.729 29.669 1.203 1.00 1.00 H new ATOM 962 N PHE A 64 23.182 26.141 -0.671 1.00 1.00 N ATOM 963 CA PHE A 64 22.450 25.196 -1.496 1.00 1.00 C ATOM 964 C PHE A 64 21.025 25.031 -0.983 1.00 1.00 C ATOM 965 O PHE A 64 20.191 24.408 -1.641 1.00 1.00 O ATOM 966 CB PHE A 64 23.166 23.841 -1.473 1.00 1.00 C ATOM 967 CG PHE A 64 22.371 22.826 -2.261 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.404 22.844 -3.660 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.604 21.862 -1.592 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.669 21.902 -4.390 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.870 20.921 -2.323 1.00 1.00 C ATOM 972 CZ PHE A 64 20.902 20.941 -3.722 1.00 1.00 C ATOM 0 H PHE A 64 24.064 25.789 -0.298 1.00 1.00 H new ATOM 0 HA PHE A 64 22.410 25.575 -2.517 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.166 23.941 -1.896 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.288 23.502 -0.444 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.996 23.585 -4.177 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.580 21.845 -0.512 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.694 21.917 -5.470 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.279 20.179 -1.807 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.335 20.215 -4.286 1.00 1.00 H new ATOM 982 N TRP A 65 20.744 25.599 0.185 1.00 1.00 N ATOM 983 CA TRP A 65 19.403 25.506 0.748 1.00 1.00 C ATOM 984 C TRP A 65 18.461 26.500 0.053 1.00 1.00 C ATOM 985 O TRP A 65 17.401 26.119 -0.446 1.00 1.00 O ATOM 986 CB TRP A 65 19.469 25.812 2.245 1.00 1.00 C ATOM 987 CG TRP A 65 18.121 25.633 2.851 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.323 26.635 3.275 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.401 24.395 3.110 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.154 26.095 3.777 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.156 24.715 3.697 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.706 23.040 2.895 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.242 23.725 4.055 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.790 22.040 3.254 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.560 22.381 3.835 1.00 1.00 C ATOM 0 H TRP A 65 21.414 26.120 0.751 1.00 1.00 H new ATOM 0 HA TRP A 65 19.016 24.499 0.593 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.188 25.151 2.730 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.817 26.833 2.403 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.559 27.688 3.229 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.385 26.646 4.159 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.652 22.767 2.451 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.295 23.994 4.499 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 17.033 21.002 3.082 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.860 21.607 4.112 1.00 1.00 H new ATOM 1006 N ASP A 66 18.876 27.766 0.004 1.00 1.00 N ATOM 1007 CA ASP A 66 18.092 28.822 -0.654 1.00 1.00 C ATOM 1008 C ASP A 66 18.401 28.848 -2.141 1.00 1.00 C ATOM 1009 O ASP A 66 19.497 28.489 -2.573 1.00 1.00 O ATOM 1010 CB ASP A 66 18.416 30.181 -0.027 1.00 1.00 C ATOM 1011 CG ASP A 66 17.849 30.245 1.389 1.00 1.00 C ATOM 1012 OD1 ASP A 66 17.012 29.416 1.706 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.259 31.122 2.131 1.00 1.00 O ATOM 0 H ASP A 66 19.753 28.090 0.412 1.00 1.00 H new ATOM 0 HA ASP A 66 17.031 28.613 -0.517 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.495 30.333 -0.004 1.00 1.00 H new ATOM 0 HB3 ASP A 66 17.994 30.982 -0.634 1.00 1.00 H new ATOM 1018 N LEU A 67 17.418 29.263 -2.925 1.00 1.00 N ATOM 1019 CA LEU A 67 17.551 29.333 -4.377 1.00 1.00 C ATOM 1020 C LEU A 67 17.121 30.711 -4.875 1.00 1.00 C ATOM 1021 O LEU A 67 16.899 31.630 -4.085 1.00 1.00 O ATOM 1022 CB LEU A 67 16.726 28.214 -5.049 1.00 1.00 C ATOM 1023 CG LEU A 67 17.455 27.702 -6.317 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.477 26.624 -5.932 1.00 1.00 C ATOM 1025 CD2 LEU A 67 16.442 27.112 -7.305 1.00 1.00 C ATOM 0 H LEU A 67 16.507 29.561 -2.577 1.00 1.00 H new ATOM 0 HA LEU A 67 18.597 29.183 -4.646 1.00 1.00 H new ATOM 0 HB2 LEU A 67 16.576 27.392 -4.349 1.00 1.00 H new ATOM 0 HB3 LEU A 67 15.738 28.590 -5.315 1.00 1.00 H new ATOM 0 HG LEU A 67 17.970 28.540 -6.787 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.986 26.268 -6.828 1.00 1.00 H new ATOM 0 HD12 LEU A 67 19.208 27.046 -5.243 1.00 1.00 H new ATOM 0 HD13 LEU A 67 17.964 25.791 -5.452 1.00 1.00 H new ATOM 0 HD21 LEU A 67 16.965 26.755 -8.192 1.00 1.00 H new ATOM 0 HD22 LEU A 67 15.917 26.281 -6.835 1.00 1.00 H new ATOM 0 HD23 LEU A 67 15.723 27.880 -7.591 1.00 1.00 H new ATOM 1037 N ASP A 68 17.039 30.851 -6.187 1.00 1.00 N ATOM 1038 CA ASP A 68 16.670 32.119 -6.792 1.00 1.00 C ATOM 1039 C ASP A 68 15.309 32.561 -6.246 1.00 1.00 C ATOM 1040 O ASP A 68 14.592 31.774 -5.629 1.00 1.00 O ATOM 1041 CB ASP A 68 16.604 31.909 -8.330 1.00 1.00 C ATOM 1042 CG ASP A 68 17.810 32.541 -9.027 1.00 1.00 C ATOM 1043 OD1 ASP A 68 18.920 32.104 -8.766 1.00 1.00 O ATOM 1044 OD2 ASP A 68 17.605 33.450 -9.815 1.00 1.00 O ATOM 0 H ASP A 68 17.223 30.102 -6.854 1.00 1.00 H new ATOM 0 HA ASP A 68 17.400 32.894 -6.558 1.00 1.00 H new ATOM 0 HB2 ASP A 68 16.570 30.843 -8.553 1.00 1.00 H new ATOM 0 HB3 ASP A 68 15.685 32.346 -8.720 1.00 1.00 H new ATOM 1049 N PRO A 69 14.955 33.803 -6.434 1.00 1.00 N ATOM 1050 CA PRO A 69 13.672 34.347 -5.920 1.00 1.00 C ATOM 1051 C PRO A 69 12.497 33.404 -6.203 1.00 1.00 C ATOM 1052 O PRO A 69 11.412 33.575 -5.647 1.00 1.00 O ATOM 1053 CB PRO A 69 13.507 35.699 -6.668 1.00 1.00 C ATOM 1054 CG PRO A 69 14.700 35.833 -7.586 1.00 1.00 C ATOM 1055 CD PRO A 69 15.747 34.832 -7.113 1.00 1.00 C ATOM 0 HA PRO A 69 13.682 34.466 -4.837 1.00 1.00 H new ATOM 0 HB2 PRO A 69 12.577 35.716 -7.236 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.465 36.529 -5.963 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.415 35.633 -8.619 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.097 36.848 -7.556 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.312 34.418 -7.948 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.468 35.294 -6.438 1.00 1.00 H new ATOM 1063 N GLU A 70 12.726 32.394 -7.041 1.00 1.00 N ATOM 1064 CA GLU A 70 11.682 31.414 -7.354 1.00 1.00 C ATOM 1065 C GLU A 70 12.207 30.003 -7.125 1.00 1.00 C ATOM 1066 O GLU A 70 13.020 29.495 -7.895 1.00 1.00 O ATOM 1067 CB GLU A 70 11.248 31.576 -8.814 1.00 1.00 C ATOM 1068 CG GLU A 70 10.547 32.925 -8.993 1.00 1.00 C ATOM 1069 CD GLU A 70 10.169 33.127 -10.457 1.00 1.00 C ATOM 1070 OE1 GLU A 70 10.402 32.221 -11.239 1.00 1.00 O ATOM 1071 OE2 GLU A 70 9.650 34.186 -10.774 1.00 1.00 O ATOM 0 H GLU A 70 13.616 32.232 -7.513 1.00 1.00 H new ATOM 0 HA GLU A 70 10.825 31.583 -6.702 1.00 1.00 H new ATOM 0 HB2 GLU A 70 12.116 31.515 -9.471 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.577 30.765 -9.097 1.00 1.00 H new ATOM 0 HG2 GLU A 70 9.654 32.965 -8.369 1.00 1.00 H new ATOM 0 HG3 GLU A 70 11.202 33.731 -8.664 1.00 1.00 H new ATOM 1078 N VAL A 71 11.699 29.358 -6.070 1.00 1.00 N ATOM 1079 CA VAL A 71 12.091 27.989 -5.769 1.00 1.00 C ATOM 1080 C VAL A 71 11.030 27.048 -6.322 1.00 1.00 C ATOM 1081 O VAL A 71 10.066 26.713 -5.637 1.00 1.00 O ATOM 1082 CB VAL A 71 12.191 27.805 -4.248 1.00 1.00 C ATOM 1083 CG1 VAL A 71 10.843 28.152 -3.565 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.576 26.350 -3.949 1.00 1.00 C ATOM 0 H VAL A 71 11.024 29.761 -5.420 1.00 1.00 H new ATOM 0 HA VAL A 71 13.059 27.771 -6.221 1.00 1.00 H new ATOM 0 HB VAL A 71 12.952 28.478 -3.853 1.00 1.00 H new ATOM 0 HG11 VAL A 71 10.935 28.015 -2.488 1.00 1.00 H new ATOM 0 HG12 VAL A 71 10.583 29.189 -3.778 1.00 1.00 H new ATOM 0 HG13 VAL A 71 10.061 27.496 -3.949 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.650 26.207 -2.871 1.00 1.00 H new ATOM 0 HG22 VAL A 71 11.815 25.682 -4.352 1.00 1.00 H new ATOM 0 HG23 VAL A 71 13.537 26.126 -4.411 1.00 1.00 H new ATOM 1094 N ARG A 72 11.215 26.615 -7.571 1.00 1.00 N ATOM 1095 CA ARG A 72 10.262 25.698 -8.208 1.00 1.00 C ATOM 1096 C ARG A 72 10.972 24.453 -8.763 1.00 1.00 C ATOM 1097 O ARG A 72 12.021 24.578 -9.393 1.00 1.00 O ATOM 1098 CB ARG A 72 9.492 26.424 -9.323 1.00 1.00 C ATOM 1099 CG ARG A 72 8.463 27.396 -8.703 1.00 1.00 C ATOM 1100 CD ARG A 72 7.136 26.669 -8.437 1.00 1.00 C ATOM 1101 NE ARG A 72 6.494 26.321 -9.699 1.00 1.00 N ATOM 1102 CZ ARG A 72 5.314 25.714 -9.728 1.00 1.00 C ATOM 1103 NH1 ARG A 72 4.674 25.470 -8.616 1.00 1.00 N ATOM 1104 NH2 ARG A 72 4.796 25.360 -10.871 1.00 1.00 N ATOM 0 H ARG A 72 12.006 26.880 -8.158 1.00 1.00 H new ATOM 0 HA ARG A 72 9.553 25.365 -7.450 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.187 26.973 -9.959 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.984 25.698 -9.958 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.854 27.805 -7.772 1.00 1.00 H new ATOM 0 HG3 ARG A 72 8.296 28.237 -9.376 1.00 1.00 H new ATOM 0 HD2 ARG A 72 7.317 25.768 -7.851 1.00 1.00 H new ATOM 0 HD3 ARG A 72 6.476 27.305 -7.847 1.00 1.00 H new ATOM 0 HE ARG A 72 6.961 26.549 -10.577 1.00 1.00 H new ATOM 0 HH11 ARG A 72 5.081 25.746 -7.722 1.00 1.00 H new ATOM 0 HH12 ARG A 72 3.767 25.003 -8.641 1.00 1.00 H new ATOM 0 HH21 ARG A 72 5.297 25.550 -11.739 1.00 1.00 H new ATOM 0 HH22 ARG A 72 3.889 24.893 -10.897 1.00 1.00 H new ATOM 1118 N PRO A 73 10.424 23.267 -8.576 1.00 1.00 N ATOM 1119 CA PRO A 73 11.056 22.033 -9.115 1.00 1.00 C ATOM 1120 C PRO A 73 11.183 22.103 -10.642 1.00 1.00 C ATOM 1121 O PRO A 73 11.984 21.383 -11.239 1.00 1.00 O ATOM 1122 CB PRO A 73 10.101 20.876 -8.723 1.00 1.00 C ATOM 1123 CG PRO A 73 8.922 21.480 -8.010 1.00 1.00 C ATOM 1124 CD PRO A 73 9.189 22.980 -7.820 1.00 1.00 C ATOM 0 HA PRO A 73 12.061 21.898 -8.716 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.775 20.332 -9.609 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.612 20.160 -8.079 1.00 1.00 H new ATOM 0 HG2 PRO A 73 8.010 21.327 -8.587 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.773 20.996 -7.045 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.355 23.576 -8.192 1.00 1.00 H new ATOM 0 HD3 PRO A 73 9.310 23.225 -6.765 1.00 1.00 H new ATOM 1132 N THR A 74 10.362 22.951 -11.267 1.00 1.00 N ATOM 1133 CA THR A 74 10.376 23.076 -12.729 1.00 1.00 C ATOM 1134 C THR A 74 11.544 23.916 -13.205 1.00 1.00 C ATOM 1135 O THR A 74 12.443 23.424 -13.888 1.00 1.00 O ATOM 1136 CB THR A 74 9.062 23.686 -13.221 1.00 1.00 C ATOM 1137 OG1 THR A 74 7.974 22.957 -12.673 1.00 1.00 O ATOM 1138 CG2 THR A 74 9.001 23.620 -14.749 1.00 1.00 C ATOM 0 H THR A 74 9.689 23.553 -10.794 1.00 1.00 H new ATOM 0 HA THR A 74 10.489 22.075 -13.145 1.00 1.00 H new ATOM 0 HB THR A 74 9.005 24.727 -12.904 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.130 23.346 -12.984 1.00 1.00 H new ATOM 0 HG21 THR A 74 8.064 24.055 -15.095 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.837 24.177 -15.171 1.00 1.00 H new ATOM 0 HG23 THR A 74 9.059 22.580 -15.071 1.00 1.00 H new ATOM 1146 N SER A 75 11.514 25.190 -12.868 1.00 1.00 N ATOM 1147 CA SER A 75 12.563 26.095 -13.292 1.00 1.00 C ATOM 1148 C SER A 75 13.912 25.593 -12.798 1.00 1.00 C ATOM 1149 O SER A 75 14.917 25.696 -13.501 1.00 1.00 O ATOM 1150 CB SER A 75 12.296 27.489 -12.727 1.00 1.00 C ATOM 1151 OG SER A 75 11.110 28.014 -13.308 1.00 1.00 O ATOM 0 H SER A 75 10.780 25.620 -12.305 1.00 1.00 H new ATOM 0 HA SER A 75 12.577 26.141 -14.381 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.193 27.441 -11.643 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.139 28.147 -12.938 1.00 1.00 H new ATOM 0 HG SER A 75 10.936 28.908 -12.945 1.00 1.00 H new ATOM 1157 N ALA A 76 13.931 25.046 -11.588 1.00 1.00 N ATOM 1158 CA ALA A 76 15.171 24.527 -11.022 1.00 1.00 C ATOM 1159 C ALA A 76 15.795 23.498 -11.956 1.00 1.00 C ATOM 1160 O ALA A 76 16.917 23.676 -12.432 1.00 1.00 O ATOM 1161 CB ALA A 76 14.894 23.885 -9.662 1.00 1.00 C ATOM 0 H ALA A 76 13.113 24.951 -10.986 1.00 1.00 H new ATOM 0 HA ALA A 76 15.868 25.356 -10.897 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.825 23.500 -9.245 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.475 24.631 -8.986 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.185 23.066 -9.784 1.00 1.00 H new ATOM 1167 N VAL A 77 15.072 22.408 -12.187 1.00 1.00 N ATOM 1168 CA VAL A 77 15.578 21.342 -13.044 1.00 1.00 C ATOM 1169 C VAL A 77 15.848 21.884 -14.440 1.00 1.00 C ATOM 1170 O VAL A 77 16.903 21.627 -15.020 1.00 1.00 O ATOM 1171 CB VAL A 77 14.559 20.200 -13.125 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.034 19.154 -14.137 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.410 19.544 -11.750 1.00 1.00 C ATOM 0 H VAL A 77 14.144 22.240 -11.798 1.00 1.00 H new ATOM 0 HA VAL A 77 16.506 20.961 -12.618 1.00 1.00 H new ATOM 0 HB VAL A 77 13.597 20.602 -13.443 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.307 18.344 -14.191 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.136 19.617 -15.118 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.998 18.755 -13.823 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.685 18.732 -11.811 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.373 19.147 -11.430 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.066 20.285 -11.029 1.00 1.00 H new ATOM 1183 N ALA A 78 14.899 22.640 -14.975 1.00 1.00 N ATOM 1184 CA ALA A 78 15.065 23.212 -16.303 1.00 1.00 C ATOM 1185 C ALA A 78 16.258 24.164 -16.329 1.00 1.00 C ATOM 1186 O ALA A 78 17.044 24.161 -17.277 1.00 1.00 O ATOM 1187 CB ALA A 78 13.798 23.970 -16.699 1.00 1.00 C ATOM 0 H ALA A 78 14.017 22.869 -14.517 1.00 1.00 H new ATOM 0 HA ALA A 78 15.245 22.403 -17.011 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.925 24.397 -17.694 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.951 23.284 -16.704 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.613 24.770 -15.982 1.00 1.00 H new ATOM 1193 N ALA A 79 16.387 24.978 -15.283 1.00 1.00 N ATOM 1194 CA ALA A 79 17.485 25.933 -15.196 1.00 1.00 C ATOM 1195 C ALA A 79 17.400 26.732 -13.898 1.00 1.00 C ATOM 1196 O ALA A 79 18.127 26.404 -12.975 1.00 1.00 O ATOM 1197 CB ALA A 79 17.444 26.890 -16.394 1.00 1.00 C ATOM 1198 OXT ALA A 79 16.611 27.662 -13.848 1.00 1.00 O ATOM 0 H ALA A 79 15.747 24.994 -14.489 1.00 1.00 H new ATOM 0 HA ALA A 79 18.424 25.380 -15.207 1.00 1.00 H new ATOM 0 HB1 ALA A 79 18.268 27.600 -16.321 1.00 1.00 H new ATOM 0 HB2 ALA A 79 17.537 26.320 -17.318 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.498 27.431 -16.395 1.00 1.00 H new