USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=20 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= 0.0285 USER MOD Single : A 10 SER OG : rot 180:sc= -0.124! USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.4!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 103:sc= 0.883 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -74:sc= 1.12 USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0333 (180deg=-0.368) USER MOD Single : A 28 SER OG : rot -14:sc= 0.772 USER MOD Single : A 29 SER OG : rot -48:sc= 0.773 USER MOD Single : A 31 GLN : amide:sc=-0.00851 K(o=-0.0085,f=-1.6!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.51! K(o=-1.5!,f=-0.0049) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 38 GLN : amide:sc= -0.259 K(o=-0.26,f=-1.2) USER MOD Single : A 44 THR OG1 : rot -57:sc= 0.826 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -84:sc= 0.776 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0441) 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 170:sc= -1.04 USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= -0.0178 (180deg=-0.368) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 -1.080 -16.207 9.567 1.00 1.00 N ATOM 67 CA ALA A 6 0.261 -15.834 9.154 1.00 1.00 C ATOM 68 C ALA A 6 0.334 -15.726 7.642 1.00 1.00 C ATOM 69 O ALA A 6 0.312 -16.728 6.928 1.00 1.00 O ATOM 70 CB ALA A 6 1.261 -16.890 9.626 1.00 1.00 C ATOM 0 HA ALA A 6 0.505 -14.869 9.598 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.266 -16.605 9.313 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.226 -16.964 10.713 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.005 -17.855 9.189 1.00 1.00 H new ATOM 76 N SER A 7 0.413 -14.491 7.170 1.00 1.00 N ATOM 77 CA SER A 7 0.488 -14.222 5.746 1.00 1.00 C ATOM 78 C SER A 7 1.868 -14.587 5.211 1.00 1.00 C ATOM 79 O SER A 7 2.750 -15.004 5.962 1.00 1.00 O ATOM 80 CB SER A 7 0.202 -12.741 5.473 1.00 1.00 C ATOM 81 OG SER A 7 0.961 -11.937 6.371 1.00 1.00 O ATOM 0 H SER A 7 0.427 -13.657 7.757 1.00 1.00 H new ATOM 0 HA SER A 7 -0.261 -14.830 5.238 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.458 -12.494 4.443 1.00 1.00 H new ATOM 0 HB3 SER A 7 -0.862 -12.537 5.595 1.00 1.00 H new ATOM 0 HG SER A 7 0.780 -10.990 6.195 1.00 1.00 H new ATOM 87 N LEU A 8 2.039 -14.426 3.909 1.00 1.00 N ATOM 88 CA LEU A 8 3.306 -14.736 3.253 1.00 1.00 C ATOM 89 C LEU A 8 4.447 -13.914 3.855 1.00 1.00 C ATOM 90 O LEU A 8 5.597 -14.041 3.438 1.00 1.00 O ATOM 91 CB LEU A 8 3.208 -14.445 1.746 1.00 1.00 C ATOM 92 CG LEU A 8 2.450 -15.576 1.045 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.034 -15.678 1.620 1.00 1.00 C ATOM 94 CD2 LEU A 8 2.378 -15.281 -0.458 1.00 1.00 C ATOM 0 H LEU A 8 1.314 -14.081 3.280 1.00 1.00 H new ATOM 0 HA LEU A 8 3.515 -15.795 3.407 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.696 -13.497 1.582 1.00 1.00 H new ATOM 0 HB3 LEU A 8 4.206 -14.346 1.320 1.00 1.00 H new ATOM 0 HG LEU A 8 2.970 -16.520 1.206 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.496 -16.483 1.120 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.089 -15.887 2.688 1.00 1.00 H new ATOM 0 HD13 LEU A 8 0.508 -14.737 1.461 1.00 1.00 H new ATOM 0 HD21 LEU A 8 1.839 -16.084 -0.961 1.00 1.00 H new ATOM 0 HD22 LEU A 8 1.857 -14.337 -0.619 1.00 1.00 H new ATOM 0 HD23 LEU A 8 3.387 -15.212 -0.864 1.00 1.00 H new ATOM 106 N LEU A 9 4.127 -13.081 4.836 1.00 1.00 N ATOM 107 CA LEU A 9 5.128 -12.251 5.499 1.00 1.00 C ATOM 108 C LEU A 9 5.865 -13.053 6.570 1.00 1.00 C ATOM 109 O LEU A 9 6.830 -12.584 7.169 1.00 1.00 O ATOM 110 CB LEU A 9 4.436 -11.033 6.118 1.00 1.00 C ATOM 111 CG LEU A 9 4.124 -9.993 5.022 1.00 1.00 C ATOM 112 CD1 LEU A 9 5.420 -9.352 4.479 1.00 1.00 C ATOM 113 CD2 LEU A 9 3.355 -10.673 3.876 1.00 1.00 C ATOM 0 H LEU A 9 3.179 -12.961 5.192 1.00 1.00 H new ATOM 0 HA LEU A 9 5.864 -11.916 4.768 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.515 -11.340 6.613 1.00 1.00 H new ATOM 0 HB3 LEU A 9 5.075 -10.589 6.881 1.00 1.00 H new ATOM 0 HG LEU A 9 3.513 -9.202 5.457 1.00 1.00 H new ATOM 0 HD11 LEU A 9 5.170 -8.623 3.708 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.948 -8.854 5.292 1.00 1.00 H new ATOM 0 HD13 LEU A 9 6.058 -10.126 4.053 1.00 1.00 H new ATOM 0 HD21 LEU A 9 3.134 -9.939 3.101 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.963 -11.474 3.455 1.00 1.00 H new ATOM 0 HD23 LEU A 9 2.423 -11.088 4.259 1.00 1.00 H new ATOM 125 N SER A 10 5.392 -14.265 6.811 1.00 1.00 N ATOM 126 CA SER A 10 6.007 -15.110 7.821 1.00 1.00 C ATOM 127 C SER A 10 7.442 -15.448 7.472 1.00 1.00 C ATOM 128 O SER A 10 8.371 -15.043 8.169 1.00 1.00 O ATOM 129 CB SER A 10 5.208 -16.392 8.008 1.00 1.00 C ATOM 130 OG SER A 10 5.359 -17.211 6.857 1.00 1.00 O ATOM 0 H SER A 10 4.595 -14.681 6.329 1.00 1.00 H new ATOM 0 HA SER A 10 6.008 -14.547 8.754 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.554 -16.924 8.895 1.00 1.00 H new ATOM 0 HB3 SER A 10 4.155 -16.158 8.167 1.00 1.00 H new ATOM 0 HG SER A 10 4.847 -18.038 6.975 1.00 1.00 H new ATOM 136 N PHE A 11 7.624 -16.212 6.412 1.00 1.00 N ATOM 137 CA PHE A 11 8.961 -16.618 6.020 1.00 1.00 C ATOM 138 C PHE A 11 9.911 -15.427 6.058 1.00 1.00 C ATOM 139 O PHE A 11 11.014 -15.519 6.598 1.00 1.00 O ATOM 140 CB PHE A 11 8.924 -17.189 4.606 1.00 1.00 C ATOM 141 CG PHE A 11 8.123 -18.468 4.598 1.00 1.00 C ATOM 142 CD1 PHE A 11 8.717 -19.667 5.008 1.00 1.00 C ATOM 143 CD2 PHE A 11 6.787 -18.455 4.180 1.00 1.00 C ATOM 144 CE1 PHE A 11 7.976 -20.854 4.999 1.00 1.00 C ATOM 145 CE2 PHE A 11 6.044 -19.643 4.172 1.00 1.00 C ATOM 146 CZ PHE A 11 6.639 -20.842 4.582 1.00 1.00 C ATOM 0 H PHE A 11 6.875 -16.560 5.814 1.00 1.00 H new ATOM 0 HA PHE A 11 9.317 -17.376 6.718 1.00 1.00 H new ATOM 0 HB2 PHE A 11 8.480 -16.466 3.922 1.00 1.00 H new ATOM 0 HB3 PHE A 11 9.938 -17.380 4.253 1.00 1.00 H new ATOM 0 HD1 PHE A 11 9.747 -19.676 5.331 1.00 1.00 H new ATOM 0 HD2 PHE A 11 6.329 -17.529 3.864 1.00 1.00 H new ATOM 0 HE1 PHE A 11 8.435 -21.780 5.314 1.00 1.00 H new ATOM 0 HE2 PHE A 11 5.013 -19.634 3.850 1.00 1.00 H new ATOM 0 HZ PHE A 11 6.067 -21.758 4.577 1.00 1.00 H new ATOM 156 N MET A 12 9.493 -14.319 5.460 1.00 1.00 N ATOM 157 CA MET A 12 10.345 -13.132 5.409 1.00 1.00 C ATOM 158 C MET A 12 10.636 -12.619 6.812 1.00 1.00 C ATOM 159 O MET A 12 11.764 -12.719 7.291 1.00 1.00 O ATOM 160 CB MET A 12 9.659 -12.035 4.597 1.00 1.00 C ATOM 161 CG MET A 12 9.580 -12.456 3.129 1.00 1.00 C ATOM 162 SD MET A 12 8.696 -11.187 2.188 1.00 1.00 S ATOM 163 CE MET A 12 8.521 -12.123 0.650 1.00 1.00 C ATOM 0 H MET A 12 8.584 -14.214 5.009 1.00 1.00 H new ATOM 0 HA MET A 12 11.287 -13.405 4.933 1.00 1.00 H new ATOM 0 HB2 MET A 12 8.658 -11.852 4.987 1.00 1.00 H new ATOM 0 HB3 MET A 12 10.213 -11.101 4.688 1.00 1.00 H new ATOM 0 HG2 MET A 12 10.583 -12.593 2.724 1.00 1.00 H new ATOM 0 HG3 MET A 12 9.067 -13.414 3.041 1.00 1.00 H new ATOM 0 HE1 MET A 12 7.993 -11.517 -0.086 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.508 -12.381 0.267 1.00 1.00 H new ATOM 0 HE3 MET A 12 7.956 -13.035 0.842 1.00 1.00 H new ATOM 173 N GLN A 13 9.610 -12.071 7.464 1.00 1.00 N ATOM 174 CA GLN A 13 9.759 -11.543 8.824 1.00 1.00 C ATOM 175 C GLN A 13 10.792 -12.353 9.609 1.00 1.00 C ATOM 176 O GLN A 13 11.735 -11.795 10.171 1.00 1.00 O ATOM 177 CB GLN A 13 8.411 -11.581 9.549 1.00 1.00 C ATOM 178 CG GLN A 13 7.520 -10.445 9.047 1.00 1.00 C ATOM 179 CD GLN A 13 6.133 -10.571 9.665 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.898 -11.456 10.487 1.00 1.00 O ATOM 181 NE2 GLN A 13 5.195 -9.736 9.314 1.00 1.00 N ATOM 0 H GLN A 13 8.671 -11.981 7.076 1.00 1.00 H new ATOM 0 HA GLN A 13 10.105 -10.512 8.757 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.923 -12.541 9.378 1.00 1.00 H new ATOM 0 HB3 GLN A 13 8.563 -11.488 10.624 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.959 -9.482 9.308 1.00 1.00 H new ATOM 0 HG3 GLN A 13 7.449 -10.478 7.960 1.00 1.00 H new ATOM 0 HE21 GLN A 13 5.393 -9.004 8.632 1.00 1.00 H new ATOM 0 HE22 GLN A 13 4.263 -9.815 9.721 1.00 1.00 H new ATOM 190 N GLY A 14 10.615 -13.670 9.634 1.00 1.00 N ATOM 191 CA GLY A 14 11.546 -14.538 10.344 1.00 1.00 C ATOM 192 C GLY A 14 12.905 -14.576 9.643 1.00 1.00 C ATOM 193 O GLY A 14 13.946 -14.550 10.291 1.00 1.00 O ATOM 0 H GLY A 14 9.844 -14.155 9.176 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.671 -14.184 11.367 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.135 -15.546 10.404 1.00 1.00 H new ATOM 197 N TYR A 15 12.896 -14.644 8.319 1.00 1.00 N ATOM 198 CA TYR A 15 14.153 -14.695 7.567 1.00 1.00 C ATOM 199 C TYR A 15 15.151 -13.691 8.109 1.00 1.00 C ATOM 200 O TYR A 15 16.217 -14.063 8.599 1.00 1.00 O ATOM 201 CB TYR A 15 13.882 -14.430 6.082 1.00 1.00 C ATOM 202 CG TYR A 15 15.154 -14.566 5.290 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.640 -15.836 4.973 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.842 -13.423 4.867 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.819 -15.967 4.233 1.00 1.00 C ATOM 206 CE2 TYR A 15 17.019 -13.552 4.127 1.00 1.00 C ATOM 207 CZ TYR A 15 17.510 -14.825 3.810 1.00 1.00 C ATOM 208 OH TYR A 15 18.673 -14.951 3.082 1.00 1.00 O ATOM 0 H TYR A 15 12.052 -14.665 7.747 1.00 1.00 H new ATOM 0 HA TYR A 15 14.583 -15.690 7.679 1.00 1.00 H new ATOM 0 HB2 TYR A 15 13.136 -15.132 5.710 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.470 -13.429 5.953 1.00 1.00 H new ATOM 0 HD1 TYR A 15 15.106 -16.716 5.299 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.463 -12.442 5.113 1.00 1.00 H new ATOM 0 HE1 TYR A 15 17.197 -16.949 3.988 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.550 -12.671 3.799 1.00 1.00 H new ATOM 0 HH TYR A 15 19.023 -14.061 2.869 1.00 1.00 H new ATOM 218 N MET A 16 14.817 -12.430 8.013 1.00 1.00 N ATOM 219 CA MET A 16 15.716 -11.406 8.493 1.00 1.00 C ATOM 220 C MET A 16 16.059 -11.683 9.946 1.00 1.00 C ATOM 221 O MET A 16 17.154 -11.360 10.407 1.00 1.00 O ATOM 222 CB MET A 16 15.041 -10.037 8.366 1.00 1.00 C ATOM 223 CG MET A 16 15.960 -8.941 8.910 1.00 1.00 C ATOM 224 SD MET A 16 15.217 -7.320 8.591 1.00 1.00 S ATOM 225 CE MET A 16 16.486 -6.326 9.416 1.00 1.00 C ATOM 0 H MET A 16 13.943 -12.088 7.613 1.00 1.00 H new ATOM 0 HA MET A 16 16.631 -11.409 7.901 1.00 1.00 H new ATOM 0 HB2 MET A 16 14.803 -9.837 7.321 1.00 1.00 H new ATOM 0 HB3 MET A 16 14.099 -10.036 8.914 1.00 1.00 H new ATOM 0 HG2 MET A 16 16.114 -9.078 9.980 1.00 1.00 H new ATOM 0 HG3 MET A 16 16.940 -9.004 8.436 1.00 1.00 H new ATOM 0 HE1 MET A 16 16.227 -5.270 9.341 1.00 1.00 H new ATOM 0 HE2 MET A 16 16.546 -6.611 10.466 1.00 1.00 H new ATOM 0 HE3 MET A 16 17.450 -6.498 8.938 1.00 1.00 H new ATOM 235 N LYS A 17 15.125 -12.295 10.665 1.00 1.00 N ATOM 236 CA LYS A 17 15.369 -12.614 12.068 1.00 1.00 C ATOM 237 C LYS A 17 16.517 -13.609 12.200 1.00 1.00 C ATOM 238 O LYS A 17 17.406 -13.447 13.038 1.00 1.00 O ATOM 239 CB LYS A 17 14.099 -13.163 12.734 1.00 1.00 C ATOM 240 CG LYS A 17 14.160 -12.943 14.250 1.00 1.00 C ATOM 241 CD LYS A 17 12.833 -13.379 14.867 1.00 1.00 C ATOM 242 CE LYS A 17 12.883 -13.170 16.378 1.00 1.00 C ATOM 243 NZ LYS A 17 11.583 -13.579 16.976 1.00 1.00 N ATOM 0 H LYS A 17 14.211 -12.576 10.310 1.00 1.00 H new ATOM 0 HA LYS A 17 15.650 -11.694 12.581 1.00 1.00 H new ATOM 0 HB2 LYS A 17 13.220 -12.667 12.322 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.996 -14.226 12.517 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.982 -13.515 14.681 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.352 -11.893 14.471 1.00 1.00 H new ATOM 0 HD2 LYS A 17 12.013 -12.804 14.436 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.641 -14.428 14.640 1.00 1.00 H new ATOM 0 HE2 LYS A 17 13.695 -13.755 16.811 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.087 -12.124 16.605 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 11.615 -13.437 18.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 10.818 -13.003 16.571 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 11.407 -14.583 16.770 1.00 1.00 H new ATOM 257 N HIS A 18 16.474 -14.649 11.368 1.00 1.00 N ATOM 258 CA HIS A 18 17.499 -15.688 11.386 1.00 1.00 C ATOM 259 C HIS A 18 18.757 -15.229 10.664 1.00 1.00 C ATOM 260 O HIS A 18 19.862 -15.366 11.189 1.00 1.00 O ATOM 261 CB HIS A 18 16.965 -16.962 10.729 1.00 1.00 C ATOM 262 CG HIS A 18 18.038 -18.018 10.736 1.00 1.00 C ATOM 263 ND1 HIS A 18 18.409 -18.690 11.890 1.00 1.00 N ATOM 264 CD2 HIS A 18 18.827 -18.530 9.735 1.00 1.00 C ATOM 265 CE1 HIS A 18 19.381 -19.560 11.559 1.00 1.00 C ATOM 266 NE2 HIS A 18 19.674 -19.504 10.256 1.00 1.00 N ATOM 0 H HIS A 18 15.740 -14.793 10.674 1.00 1.00 H new ATOM 0 HA HIS A 18 17.754 -15.893 12.426 1.00 1.00 H new ATOM 0 HB2 HIS A 18 16.085 -17.319 11.265 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.652 -16.753 9.706 1.00 1.00 H new ATOM 0 HD2 HIS A 18 18.795 -18.223 8.700 1.00 1.00 H new ATOM 0 HE1 HIS A 18 19.865 -20.223 12.261 1.00 1.00 H new ATOM 0 HE2 HIS A 18 20.368 -20.056 9.752 1.00 1.00 H new ATOM 274 N ALA A 19 18.599 -14.712 9.450 1.00 1.00 N ATOM 275 CA ALA A 19 19.756 -14.277 8.669 1.00 1.00 C ATOM 276 C ALA A 19 20.585 -13.268 9.436 1.00 1.00 C ATOM 277 O ALA A 19 21.779 -13.103 9.182 1.00 1.00 O ATOM 278 CB ALA A 19 19.276 -13.661 7.357 1.00 1.00 C ATOM 0 H ALA A 19 17.698 -14.584 8.990 1.00 1.00 H new ATOM 0 HA ALA A 19 20.383 -15.145 8.465 1.00 1.00 H new ATOM 0 HB1 ALA A 19 20.136 -13.335 6.772 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.712 -14.403 6.791 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.637 -12.804 7.570 1.00 1.00 H new ATOM 284 N THR A 20 19.959 -12.617 10.387 1.00 1.00 N ATOM 285 CA THR A 20 20.668 -11.643 11.205 1.00 1.00 C ATOM 286 C THR A 20 21.701 -12.363 12.072 1.00 1.00 C ATOM 287 O THR A 20 22.644 -11.749 12.572 1.00 1.00 O ATOM 288 CB THR A 20 19.671 -10.881 12.092 1.00 1.00 C ATOM 289 OG1 THR A 20 18.886 -10.014 11.283 1.00 1.00 O ATOM 290 CG2 THR A 20 20.418 -10.058 13.147 1.00 1.00 C ATOM 0 H THR A 20 18.973 -12.736 10.617 1.00 1.00 H new ATOM 0 HA THR A 20 21.178 -10.929 10.559 1.00 1.00 H new ATOM 0 HB THR A 20 19.026 -11.600 12.597 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.998 -10.407 11.149 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.699 -9.524 13.768 1.00 1.00 H new ATOM 0 HG22 THR A 20 21.014 -10.723 13.772 1.00 1.00 H new ATOM 0 HG23 THR A 20 21.073 -9.341 12.652 1.00 1.00 H new ATOM 298 N LYS A 21 21.526 -13.672 12.216 1.00 1.00 N ATOM 299 CA LYS A 21 22.462 -14.472 12.996 1.00 1.00 C ATOM 300 C LYS A 21 23.811 -14.582 12.290 1.00 1.00 C ATOM 301 O LYS A 21 24.858 -14.625 12.936 1.00 1.00 O ATOM 302 CB LYS A 21 21.897 -15.865 13.265 1.00 1.00 C ATOM 303 CG LYS A 21 22.825 -16.611 14.227 1.00 1.00 C ATOM 304 CD LYS A 21 22.225 -17.979 14.549 1.00 1.00 C ATOM 305 CE LYS A 21 23.136 -18.728 15.522 1.00 1.00 C ATOM 306 NZ LYS A 21 22.540 -20.057 15.833 1.00 1.00 N ATOM 0 H LYS A 21 20.753 -14.197 11.807 1.00 1.00 H new ATOM 0 HA LYS A 21 22.611 -13.966 13.950 1.00 1.00 H new ATOM 0 HB2 LYS A 21 20.897 -15.788 13.692 1.00 1.00 H new ATOM 0 HB3 LYS A 21 21.802 -16.418 12.331 1.00 1.00 H new ATOM 0 HG2 LYS A 21 23.812 -16.730 13.779 1.00 1.00 H new ATOM 0 HG3 LYS A 21 22.958 -16.035 15.143 1.00 1.00 H new ATOM 0 HD2 LYS A 21 21.233 -17.858 14.985 1.00 1.00 H new ATOM 0 HD3 LYS A 21 22.102 -18.557 13.633 1.00 1.00 H new ATOM 0 HE2 LYS A 21 24.127 -18.854 15.086 1.00 1.00 H new ATOM 0 HE3 LYS A 21 23.262 -18.150 16.438 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 23.158 -20.568 16.495 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 21.604 -19.925 16.266 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 22.442 -20.607 14.956 1.00 1.00 H new ATOM 320 N THR A 22 23.775 -14.650 10.962 1.00 1.00 N ATOM 321 CA THR A 22 25.004 -14.785 10.175 1.00 1.00 C ATOM 322 C THR A 22 25.936 -13.595 10.385 1.00 1.00 C ATOM 323 O THR A 22 27.110 -13.642 10.015 1.00 1.00 O ATOM 324 CB THR A 22 24.657 -14.909 8.688 1.00 1.00 C ATOM 325 OG1 THR A 22 23.942 -13.754 8.274 1.00 1.00 O ATOM 326 CG2 THR A 22 23.794 -16.151 8.461 1.00 1.00 C ATOM 0 H THR A 22 22.918 -14.615 10.409 1.00 1.00 H new ATOM 0 HA THR A 22 25.520 -15.684 10.511 1.00 1.00 H new ATOM 0 HB THR A 22 25.576 -14.999 8.108 1.00 1.00 H new ATOM 0 HG1 THR A 22 23.027 -13.793 8.624 1.00 1.00 H new ATOM 0 HG21 THR A 22 23.549 -16.236 7.402 1.00 1.00 H new ATOM 0 HG22 THR A 22 24.342 -17.038 8.779 1.00 1.00 H new ATOM 0 HG23 THR A 22 22.874 -16.066 9.040 1.00 1.00 H new ATOM 334 N ALA A 23 25.411 -12.533 10.977 1.00 1.00 N ATOM 335 CA ALA A 23 26.197 -11.341 11.234 1.00 1.00 C ATOM 336 C ALA A 23 27.516 -11.711 11.892 1.00 1.00 C ATOM 337 O ALA A 23 28.573 -11.317 11.426 1.00 1.00 O ATOM 338 CB ALA A 23 25.414 -10.394 12.146 1.00 1.00 C ATOM 0 H ALA A 23 24.441 -12.475 11.288 1.00 1.00 H new ATOM 0 HA ALA A 23 26.404 -10.844 10.286 1.00 1.00 H new ATOM 0 HB1 ALA A 23 26.007 -9.500 12.337 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.479 -10.113 11.662 1.00 1.00 H new ATOM 0 HB3 ALA A 23 25.197 -10.894 13.090 1.00 1.00 H new ATOM 344 N LYS A 24 27.450 -12.469 12.980 1.00 1.00 N ATOM 345 CA LYS A 24 28.663 -12.876 13.683 1.00 1.00 C ATOM 346 C LYS A 24 29.674 -13.489 12.707 1.00 1.00 C ATOM 347 O LYS A 24 30.682 -12.873 12.357 1.00 1.00 O ATOM 348 CB LYS A 24 28.286 -13.895 14.764 1.00 1.00 C ATOM 349 CG LYS A 24 29.517 -14.264 15.588 1.00 1.00 C ATOM 350 CD LYS A 24 29.100 -15.204 16.721 1.00 1.00 C ATOM 351 CE LYS A 24 30.328 -15.556 17.558 1.00 1.00 C ATOM 352 NZ LYS A 24 31.252 -16.397 16.746 1.00 1.00 N ATOM 0 H LYS A 24 26.582 -12.811 13.392 1.00 1.00 H new ATOM 0 HA LYS A 24 29.127 -12.003 14.142 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.515 -13.480 15.413 1.00 1.00 H new ATOM 0 HB3 LYS A 24 27.866 -14.789 14.302 1.00 1.00 H new ATOM 0 HG2 LYS A 24 30.262 -14.746 14.955 1.00 1.00 H new ATOM 0 HG3 LYS A 24 29.979 -13.365 15.996 1.00 1.00 H new ATOM 0 HD2 LYS A 24 28.344 -14.728 17.345 1.00 1.00 H new ATOM 0 HD3 LYS A 24 28.652 -16.110 16.312 1.00 1.00 H new ATOM 0 HE2 LYS A 24 30.835 -14.647 17.882 1.00 1.00 H new ATOM 0 HE3 LYS A 24 30.027 -16.091 18.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 31.920 -16.886 17.376 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 30.702 -17.099 16.211 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 31.780 -15.793 16.084 1.00 1.00 H new ATOM 366 N ASP A 25 29.396 -14.725 12.303 1.00 1.00 N ATOM 367 CA ASP A 25 30.275 -15.462 11.403 1.00 1.00 C ATOM 368 C ASP A 25 30.704 -14.541 10.275 1.00 1.00 C ATOM 369 O ASP A 25 31.872 -14.522 9.883 1.00 1.00 O ATOM 370 CB ASP A 25 29.543 -16.682 10.824 1.00 1.00 C ATOM 371 CG ASP A 25 29.371 -17.760 11.892 1.00 1.00 C ATOM 372 OD1 ASP A 25 30.018 -17.660 12.921 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.596 -18.674 11.660 1.00 1.00 O ATOM 0 H ASP A 25 28.563 -15.240 12.588 1.00 1.00 H new ATOM 0 HA ASP A 25 31.148 -15.810 11.954 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.567 -16.381 10.443 1.00 1.00 H new ATOM 0 HB3 ASP A 25 30.105 -17.084 9.981 1.00 1.00 H new ATOM 378 N ALA A 26 29.763 -13.750 9.786 1.00 1.00 N ATOM 379 CA ALA A 26 30.066 -12.797 8.737 1.00 1.00 C ATOM 380 C ALA A 26 30.983 -11.711 9.287 1.00 1.00 C ATOM 381 O ALA A 26 31.902 -11.257 8.609 1.00 1.00 O ATOM 382 CB ALA A 26 28.774 -12.165 8.213 1.00 1.00 C ATOM 0 H ALA A 26 28.792 -13.750 10.097 1.00 1.00 H new ATOM 0 HA ALA A 26 30.565 -13.314 7.917 1.00 1.00 H new ATOM 0 HB1 ALA A 26 29.012 -11.450 7.425 1.00 1.00 H new ATOM 0 HB2 ALA A 26 28.124 -12.943 7.813 1.00 1.00 H new ATOM 0 HB3 ALA A 26 28.264 -11.651 9.028 1.00 1.00 H new ATOM 388 N LEU A 27 30.722 -11.285 10.522 1.00 1.00 N ATOM 389 CA LEU A 27 31.537 -10.233 11.137 1.00 1.00 C ATOM 390 C LEU A 27 32.995 -10.665 11.226 1.00 1.00 C ATOM 391 O LEU A 27 33.903 -9.897 10.916 1.00 1.00 O ATOM 392 CB LEU A 27 31.010 -9.903 12.540 1.00 1.00 C ATOM 393 CG LEU A 27 31.709 -8.648 13.106 1.00 1.00 C ATOM 394 CD1 LEU A 27 31.173 -7.371 12.429 1.00 1.00 C ATOM 395 CD2 LEU A 27 31.459 -8.571 14.618 1.00 1.00 C ATOM 0 H LEU A 27 29.968 -11.642 11.109 1.00 1.00 H new ATOM 0 HA LEU A 27 31.472 -9.343 10.511 1.00 1.00 H new ATOM 0 HB2 LEU A 27 29.933 -9.738 12.500 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.178 -10.750 13.205 1.00 1.00 H new ATOM 0 HG LEU A 27 32.778 -8.721 12.907 1.00 1.00 H new ATOM 0 HD11 LEU A 27 31.680 -6.499 12.843 1.00 1.00 H new ATOM 0 HD12 LEU A 27 31.359 -7.423 11.356 1.00 1.00 H new ATOM 0 HD13 LEU A 27 30.101 -7.287 12.608 1.00 1.00 H new ATOM 0 HD21 LEU A 27 31.950 -7.687 15.023 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.387 -8.509 14.807 1.00 1.00 H new ATOM 0 HD23 LEU A 27 31.862 -9.462 15.099 1.00 1.00 H new ATOM 407 N SER A 28 33.209 -11.888 11.661 1.00 1.00 N ATOM 408 CA SER A 28 34.563 -12.405 11.796 1.00 1.00 C ATOM 409 C SER A 28 35.246 -12.399 10.438 1.00 1.00 C ATOM 410 O SER A 28 36.475 -12.359 10.337 1.00 1.00 O ATOM 411 CB SER A 28 34.520 -13.826 12.352 1.00 1.00 C ATOM 412 OG SER A 28 33.745 -14.643 11.482 1.00 1.00 O ATOM 0 H SER A 28 32.473 -12.542 11.927 1.00 1.00 H new ATOM 0 HA SER A 28 35.126 -11.773 12.483 1.00 1.00 H new ATOM 0 HB2 SER A 28 35.530 -14.225 12.442 1.00 1.00 H new ATOM 0 HB3 SER A 28 34.087 -13.825 13.352 1.00 1.00 H new ATOM 0 HG SER A 28 33.243 -14.075 10.861 1.00 1.00 H new ATOM 418 N SER A 29 34.422 -12.443 9.395 1.00 1.00 N ATOM 419 CA SER A 29 34.942 -12.445 8.019 1.00 1.00 C ATOM 420 C SER A 29 35.378 -11.049 7.563 1.00 1.00 C ATOM 421 O SER A 29 35.828 -10.878 6.429 1.00 1.00 O ATOM 422 CB SER A 29 33.910 -12.999 7.036 1.00 1.00 C ATOM 423 OG SER A 29 33.002 -11.970 6.676 1.00 1.00 O ATOM 0 H SER A 29 33.405 -12.477 9.467 1.00 1.00 H new ATOM 0 HA SER A 29 35.818 -13.093 8.025 1.00 1.00 H new ATOM 0 HB2 SER A 29 34.409 -13.386 6.148 1.00 1.00 H new ATOM 0 HB3 SER A 29 33.372 -13.832 7.488 1.00 1.00 H new ATOM 0 HG SER A 29 32.684 -11.517 7.485 1.00 1.00 H new ATOM 429 N VAL A 30 35.242 -10.055 8.436 1.00 1.00 N ATOM 430 CA VAL A 30 35.621 -8.679 8.092 1.00 1.00 C ATOM 431 C VAL A 30 37.065 -8.581 7.587 1.00 1.00 C ATOM 432 O VAL A 30 37.545 -7.490 7.290 1.00 1.00 O ATOM 433 CB VAL A 30 35.452 -7.768 9.309 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.946 -7.592 9.618 1.00 1.00 C ATOM 435 CG2 VAL A 30 36.209 -8.364 10.524 1.00 1.00 C ATOM 0 H VAL A 30 34.876 -10.170 9.381 1.00 1.00 H new ATOM 0 HA VAL A 30 34.961 -8.359 7.286 1.00 1.00 H new ATOM 0 HB VAL A 30 35.876 -6.787 9.096 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.826 -6.943 10.485 1.00 1.00 H new ATOM 0 HG12 VAL A 30 33.448 -7.144 8.758 1.00 1.00 H new ATOM 0 HG13 VAL A 30 33.502 -8.565 9.829 1.00 1.00 H new ATOM 0 HG21 VAL A 30 36.084 -7.710 11.387 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.807 -9.350 10.755 1.00 1.00 H new ATOM 0 HG23 VAL A 30 37.269 -8.451 10.285 1.00 1.00 H new ATOM 445 N GLN A 31 37.753 -9.713 7.499 1.00 1.00 N ATOM 446 CA GLN A 31 39.143 -9.733 7.027 1.00 1.00 C ATOM 447 C GLN A 31 39.312 -8.830 5.812 1.00 1.00 C ATOM 448 O GLN A 31 40.428 -8.439 5.465 1.00 1.00 O ATOM 449 CB GLN A 31 39.522 -11.173 6.669 1.00 1.00 C ATOM 450 CG GLN A 31 40.992 -11.245 6.264 1.00 1.00 C ATOM 451 CD GLN A 31 41.412 -12.700 6.072 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.738 -13.616 6.550 1.00 1.00 O ATOM 453 NE2 GLN A 31 42.494 -12.968 5.393 1.00 1.00 N ATOM 0 H GLN A 31 37.378 -10.629 7.746 1.00 1.00 H new ATOM 0 HA GLN A 31 39.797 -9.362 7.816 1.00 1.00 H new ATOM 0 HB2 GLN A 31 39.339 -11.828 7.521 1.00 1.00 H new ATOM 0 HB3 GLN A 31 38.894 -11.530 5.853 1.00 1.00 H new ATOM 0 HG2 GLN A 31 41.151 -10.688 5.341 1.00 1.00 H new ATOM 0 HG3 GLN A 31 41.612 -10.777 7.029 1.00 1.00 H new ATOM 0 HE21 GLN A 31 43.050 -12.209 4.999 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.784 -13.936 5.257 1.00 1.00 H new ATOM 462 N GLU A 32 38.204 -8.475 5.191 1.00 1.00 N ATOM 463 CA GLU A 32 38.251 -7.590 4.046 1.00 1.00 C ATOM 464 C GLU A 32 38.544 -6.167 4.515 1.00 1.00 C ATOM 465 O GLU A 32 38.660 -5.247 3.704 1.00 1.00 O ATOM 466 CB GLU A 32 36.918 -7.624 3.301 1.00 1.00 C ATOM 467 CG GLU A 32 36.734 -8.994 2.645 1.00 1.00 C ATOM 468 CD GLU A 32 35.382 -9.056 1.942 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.679 -8.058 1.963 1.00 1.00 O ATOM 470 OE2 GLU A 32 35.068 -10.098 1.392 1.00 1.00 O ATOM 0 H GLU A 32 37.269 -8.783 5.458 1.00 1.00 H new ATOM 0 HA GLU A 32 39.040 -7.920 3.371 1.00 1.00 H new ATOM 0 HB2 GLU A 32 36.098 -7.427 3.992 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.892 -6.840 2.544 1.00 1.00 H new ATOM 0 HG2 GLU A 32 37.535 -9.174 1.928 1.00 1.00 H new ATOM 0 HG3 GLU A 32 36.798 -9.779 3.398 1.00 1.00 H new ATOM 477 N SER A 33 38.670 -5.997 5.833 1.00 1.00 N ATOM 478 CA SER A 33 38.955 -4.688 6.404 1.00 1.00 C ATOM 479 C SER A 33 40.291 -4.191 5.889 1.00 1.00 C ATOM 480 O SER A 33 40.611 -3.008 5.992 1.00 1.00 O ATOM 481 CB SER A 33 38.980 -4.753 7.932 1.00 1.00 C ATOM 482 OG SER A 33 40.023 -5.623 8.353 1.00 1.00 O ATOM 0 H SER A 33 38.579 -6.747 6.518 1.00 1.00 H new ATOM 0 HA SER A 33 38.166 -3.999 6.104 1.00 1.00 H new ATOM 0 HB2 SER A 33 39.134 -3.757 8.346 1.00 1.00 H new ATOM 0 HB3 SER A 33 38.021 -5.110 8.307 1.00 1.00 H new ATOM 0 HG SER A 33 40.040 -5.663 9.332 1.00 1.00 H new ATOM 488 N GLN A 34 41.072 -5.108 5.337 1.00 1.00 N ATOM 489 CA GLN A 34 42.381 -4.735 4.812 1.00 1.00 C ATOM 490 C GLN A 34 42.271 -3.522 3.891 1.00 1.00 C ATOM 491 O GLN A 34 43.287 -2.953 3.492 1.00 1.00 O ATOM 492 CB GLN A 34 43.009 -5.893 4.050 1.00 1.00 C ATOM 493 CG GLN A 34 43.417 -6.974 5.043 1.00 1.00 C ATOM 494 CD GLN A 34 43.968 -8.177 4.298 1.00 1.00 C ATOM 495 OE1 GLN A 34 44.601 -9.044 4.900 1.00 1.00 O ATOM 496 NE2 GLN A 34 43.763 -8.285 3.014 1.00 1.00 N ATOM 0 H GLN A 34 40.832 -6.095 5.241 1.00 1.00 H new ATOM 0 HA GLN A 34 43.016 -4.481 5.661 1.00 1.00 H new ATOM 0 HB2 GLN A 34 42.301 -6.295 3.325 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.878 -5.548 3.490 1.00 1.00 H new ATOM 0 HG2 GLN A 34 44.169 -6.585 5.730 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.558 -7.270 5.645 1.00 1.00 H new ATOM 0 HE21 GLN A 34 43.238 -7.564 2.519 1.00 1.00 H new ATOM 0 HE22 GLN A 34 44.128 -9.090 2.505 1.00 1.00 H new ATOM 505 N VAL A 35 41.038 -3.141 3.546 1.00 1.00 N ATOM 506 CA VAL A 35 40.802 -1.992 2.663 1.00 1.00 C ATOM 507 C VAL A 35 41.740 -0.825 3.012 1.00 1.00 C ATOM 508 O VAL A 35 41.919 0.098 2.227 1.00 1.00 O ATOM 509 CB VAL A 35 39.330 -1.544 2.780 1.00 1.00 C ATOM 510 CG1 VAL A 35 39.125 -0.716 4.057 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.941 -0.696 1.562 1.00 1.00 C ATOM 0 H VAL A 35 40.189 -3.609 3.863 1.00 1.00 H new ATOM 0 HA VAL A 35 41.010 -2.295 1.637 1.00 1.00 H new ATOM 0 HB VAL A 35 38.701 -2.433 2.822 1.00 1.00 H new ATOM 0 HG11 VAL A 35 38.082 -0.407 4.127 1.00 1.00 H new ATOM 0 HG12 VAL A 35 39.383 -1.319 4.927 1.00 1.00 H new ATOM 0 HG13 VAL A 35 39.764 0.167 4.025 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.901 -0.384 1.653 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.581 0.185 1.513 1.00 1.00 H new ATOM 0 HG23 VAL A 35 39.065 -1.286 0.654 1.00 1.00 H new ATOM 521 N ALA A 36 42.368 -0.894 4.176 1.00 1.00 N ATOM 522 CA ALA A 36 43.314 0.139 4.580 1.00 1.00 C ATOM 523 C ALA A 36 44.285 0.406 3.438 1.00 1.00 C ATOM 524 O ALA A 36 44.275 1.484 2.841 1.00 1.00 O ATOM 525 CB ALA A 36 44.070 -0.333 5.819 1.00 1.00 C ATOM 0 H ALA A 36 42.243 -1.646 4.853 1.00 1.00 H new ATOM 0 HA ALA A 36 42.784 1.062 4.816 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.780 0.435 6.127 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.363 -0.519 6.628 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.608 -1.253 5.589 1.00 1.00 H new ATOM 531 N GLN A 37 45.126 -0.585 3.141 1.00 1.00 N ATOM 532 CA GLN A 37 46.106 -0.440 2.065 1.00 1.00 C ATOM 533 C GLN A 37 45.467 0.281 0.883 1.00 1.00 C ATOM 534 O GLN A 37 46.070 1.176 0.295 1.00 1.00 O ATOM 535 CB GLN A 37 46.631 -1.811 1.623 1.00 1.00 C ATOM 536 CG GLN A 37 47.762 -1.628 0.604 1.00 1.00 C ATOM 537 CD GLN A 37 48.249 -2.989 0.124 1.00 1.00 C ATOM 538 OE1 GLN A 37 47.440 -3.869 -0.172 1.00 1.00 O ATOM 539 NE2 GLN A 37 49.531 -3.221 0.033 1.00 1.00 N ATOM 0 H GLN A 37 45.149 -1.484 3.622 1.00 1.00 H new ATOM 0 HA GLN A 37 46.947 0.147 2.434 1.00 1.00 H new ATOM 0 HB2 GLN A 37 46.994 -2.368 2.487 1.00 1.00 H new ATOM 0 HB3 GLN A 37 45.823 -2.396 1.183 1.00 1.00 H new ATOM 0 HG2 GLN A 37 47.410 -1.038 -0.242 1.00 1.00 H new ATOM 0 HG3 GLN A 37 48.586 -1.076 1.056 1.00 1.00 H new ATOM 0 HE21 GLN A 37 50.200 -2.491 0.278 1.00 1.00 H new ATOM 0 HE22 GLN A 37 49.863 -4.132 -0.284 1.00 1.00 H new ATOM 548 N GLN A 38 44.232 -0.099 0.551 1.00 1.00 N ATOM 549 CA GLN A 38 43.521 0.542 -0.550 1.00 1.00 C ATOM 550 C GLN A 38 43.361 2.016 -0.219 1.00 1.00 C ATOM 551 O GLN A 38 43.881 2.876 -0.923 1.00 1.00 O ATOM 552 CB GLN A 38 42.141 -0.103 -0.726 1.00 1.00 C ATOM 553 CG GLN A 38 41.561 0.258 -2.090 1.00 1.00 C ATOM 554 CD GLN A 38 40.185 -0.380 -2.244 1.00 1.00 C ATOM 555 OE1 GLN A 38 39.289 -0.131 -1.434 1.00 1.00 O ATOM 556 NE2 GLN A 38 39.960 -1.192 -3.238 1.00 1.00 N ATOM 0 H GLN A 38 43.711 -0.838 1.023 1.00 1.00 H new ATOM 0 HA GLN A 38 44.081 0.423 -1.477 1.00 1.00 H new ATOM 0 HB2 GLN A 38 42.223 -1.186 -0.633 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.470 0.235 0.064 1.00 1.00 H new ATOM 0 HG2 GLN A 38 41.484 1.341 -2.189 1.00 1.00 H new ATOM 0 HG3 GLN A 38 42.225 -0.088 -2.882 1.00 1.00 H new ATOM 0 HE21 GLN A 38 40.702 -1.397 -3.907 1.00 1.00 H new ATOM 0 HE22 GLN A 38 39.042 -1.623 -3.347 1.00 1.00 H new ATOM 565 N ALA A 39 42.642 2.297 0.869 1.00 1.00 N ATOM 566 CA ALA A 39 42.442 3.679 1.297 1.00 1.00 C ATOM 567 C ALA A 39 43.770 4.422 1.172 1.00 1.00 C ATOM 568 O ALA A 39 43.865 5.446 0.494 1.00 1.00 O ATOM 569 CB ALA A 39 41.951 3.725 2.749 1.00 1.00 C ATOM 0 H ALA A 39 42.195 1.597 1.461 1.00 1.00 H new ATOM 0 HA ALA A 39 41.687 4.151 0.668 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.807 4.762 3.052 1.00 1.00 H new ATOM 0 HB2 ALA A 39 41.006 3.189 2.831 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.691 3.257 3.398 1.00 1.00 H new ATOM 575 N ARG A 40 44.798 3.870 1.815 1.00 1.00 N ATOM 576 CA ARG A 40 46.143 4.458 1.761 1.00 1.00 C ATOM 577 C ARG A 40 46.630 4.596 0.321 1.00 1.00 C ATOM 578 O ARG A 40 47.689 5.150 0.054 1.00 1.00 O ATOM 579 CB ARG A 40 47.144 3.624 2.572 1.00 1.00 C ATOM 580 CG ARG A 40 46.798 3.677 4.064 1.00 1.00 C ATOM 581 CD ARG A 40 47.753 2.761 4.839 1.00 1.00 C ATOM 582 NE ARG A 40 49.125 3.248 4.724 1.00 1.00 N ATOM 583 CZ ARG A 40 50.144 2.565 5.239 1.00 1.00 C ATOM 584 NH1 ARG A 40 49.932 1.425 5.838 1.00 1.00 N ATOM 585 NH2 ARG A 40 51.358 3.037 5.146 1.00 1.00 N ATOM 0 H ARG A 40 44.730 3.022 2.377 1.00 1.00 H new ATOM 0 HA ARG A 40 46.078 5.453 2.202 1.00 1.00 H new ATOM 0 HB2 ARG A 40 47.131 2.591 2.226 1.00 1.00 H new ATOM 0 HB3 ARG A 40 48.154 4.001 2.413 1.00 1.00 H new ATOM 0 HG2 ARG A 40 46.879 4.700 4.432 1.00 1.00 H new ATOM 0 HG3 ARG A 40 45.766 3.362 4.221 1.00 1.00 H new ATOM 0 HD2 ARG A 40 47.460 2.723 5.888 1.00 1.00 H new ATOM 0 HD3 ARG A 40 47.687 1.744 4.452 1.00 1.00 H new ATOM 0 HE ARG A 40 49.305 4.128 4.240 1.00 1.00 H new ATOM 0 HH11 ARG A 40 48.984 1.056 5.912 1.00 1.00 H new ATOM 0 HH12 ARG A 40 50.714 0.903 6.232 1.00 1.00 H new ATOM 0 HH21 ARG A 40 51.524 3.928 4.679 1.00 1.00 H new ATOM 0 HH22 ARG A 40 52.140 2.514 5.540 1.00 1.00 H new ATOM 599 N GLY A 41 45.816 4.091 -0.581 1.00 1.00 N ATOM 600 CA GLY A 41 46.086 4.165 -2.004 1.00 1.00 C ATOM 601 C GLY A 41 45.598 5.503 -2.553 1.00 1.00 C ATOM 602 O GLY A 41 46.362 6.281 -3.132 1.00 1.00 O ATOM 0 H GLY A 41 44.944 3.615 -0.349 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.155 4.054 -2.187 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.587 3.345 -2.521 1.00 1.00 H new ATOM 606 N TRP A 42 44.296 5.725 -2.411 1.00 1.00 N ATOM 607 CA TRP A 42 43.658 6.940 -2.944 1.00 1.00 C ATOM 608 C TRP A 42 44.525 8.168 -2.682 1.00 1.00 C ATOM 609 O TRP A 42 44.380 9.199 -3.341 1.00 1.00 O ATOM 610 CB TRP A 42 42.272 7.148 -2.319 1.00 1.00 C ATOM 611 CG TRP A 42 41.328 6.090 -2.805 1.00 1.00 C ATOM 612 CD1 TRP A 42 41.317 4.811 -2.372 1.00 1.00 C ATOM 613 CD2 TRP A 42 40.255 6.195 -3.792 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.311 4.123 -3.024 1.00 1.00 N ATOM 615 CE2 TRP A 42 39.629 4.932 -3.909 1.00 1.00 C ATOM 616 CE3 TRP A 42 39.770 7.250 -4.588 1.00 1.00 C ATOM 617 CZ2 TRP A 42 38.559 4.721 -4.781 1.00 1.00 C ATOM 618 CZ3 TRP A 42 38.694 7.040 -5.468 1.00 1.00 C ATOM 619 CH2 TRP A 42 38.091 5.778 -5.565 1.00 1.00 C ATOM 0 H TRP A 42 43.658 5.088 -1.935 1.00 1.00 H new ATOM 0 HA TRP A 42 43.545 6.808 -4.020 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.345 7.111 -1.232 1.00 1.00 H new ATOM 0 HB3 TRP A 42 41.891 8.135 -2.580 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.987 4.393 -1.635 1.00 1.00 H new ATOM 0 HE1 TRP A 42 40.099 3.137 -2.870 1.00 1.00 H new ATOM 0 HE3 TRP A 42 40.227 8.226 -4.522 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 38.097 3.747 -4.849 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 38.329 7.857 -6.074 1.00 1.00 H new ATOM 0 HH2 TRP A 42 37.266 5.623 -6.245 1.00 1.00 H new ATOM 630 N VAL A 43 45.441 8.029 -1.735 1.00 1.00 N ATOM 631 CA VAL A 43 46.360 9.109 -1.394 1.00 1.00 C ATOM 632 C VAL A 43 47.198 9.497 -2.615 1.00 1.00 C ATOM 633 O VAL A 43 47.325 10.676 -2.955 1.00 1.00 O ATOM 634 CB VAL A 43 47.264 8.665 -0.233 1.00 1.00 C ATOM 635 CG1 VAL A 43 46.403 8.003 0.848 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.315 7.659 -0.722 1.00 1.00 C ATOM 0 H VAL A 43 45.569 7.178 -1.187 1.00 1.00 H new ATOM 0 HA VAL A 43 45.790 9.984 -1.083 1.00 1.00 H new ATOM 0 HB VAL A 43 47.774 9.540 0.171 1.00 1.00 H new ATOM 0 HG11 VAL A 43 47.038 7.685 1.675 1.00 1.00 H new ATOM 0 HG12 VAL A 43 45.663 8.716 1.212 1.00 1.00 H new ATOM 0 HG13 VAL A 43 45.894 7.136 0.427 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.946 7.356 0.114 1.00 1.00 H new ATOM 0 HG22 VAL A 43 47.815 6.783 -1.136 1.00 1.00 H new ATOM 0 HG23 VAL A 43 48.932 8.122 -1.492 1.00 1.00 H new ATOM 646 N THR A 44 47.784 8.486 -3.254 1.00 1.00 N ATOM 647 CA THR A 44 48.633 8.718 -4.417 1.00 1.00 C ATOM 648 C THR A 44 47.815 9.349 -5.528 1.00 1.00 C ATOM 649 O THR A 44 48.282 10.258 -6.216 1.00 1.00 O ATOM 650 CB THR A 44 49.255 7.405 -4.912 1.00 1.00 C ATOM 651 OG1 THR A 44 48.226 6.469 -5.187 1.00 1.00 O ATOM 652 CG2 THR A 44 50.191 6.833 -3.844 1.00 1.00 C ATOM 0 H THR A 44 47.687 7.506 -2.987 1.00 1.00 H new ATOM 0 HA THR A 44 49.439 9.392 -4.127 1.00 1.00 H new ATOM 0 HB THR A 44 49.826 7.601 -5.820 1.00 1.00 H new ATOM 0 HG1 THR A 44 47.683 6.334 -4.382 1.00 1.00 H new ATOM 0 HG21 THR A 44 50.628 5.901 -4.204 1.00 1.00 H new ATOM 0 HG22 THR A 44 50.986 7.549 -3.635 1.00 1.00 H new ATOM 0 HG23 THR A 44 49.627 6.640 -2.931 1.00 1.00 H new ATOM 660 N ASP A 45 46.594 8.868 -5.699 1.00 1.00 N ATOM 661 CA ASP A 45 45.720 9.398 -6.728 1.00 1.00 C ATOM 662 C ASP A 45 45.238 10.794 -6.340 1.00 1.00 C ATOM 663 O ASP A 45 44.275 11.305 -6.910 1.00 1.00 O ATOM 664 CB ASP A 45 44.514 8.472 -6.908 1.00 1.00 C ATOM 665 CG ASP A 45 43.673 8.931 -8.093 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.148 9.765 -8.845 1.00 1.00 O ATOM 667 OD2 ASP A 45 42.563 8.440 -8.233 1.00 1.00 O ATOM 0 H ASP A 45 46.189 8.116 -5.141 1.00 1.00 H new ATOM 0 HA ASP A 45 46.274 9.460 -7.664 1.00 1.00 H new ATOM 0 HB2 ASP A 45 44.852 7.448 -7.067 1.00 1.00 H new ATOM 0 HB3 ASP A 45 43.909 8.470 -6.002 1.00 1.00 H new ATOM 672 N GLY A 46 45.922 11.420 -5.379 1.00 1.00 N ATOM 673 CA GLY A 46 45.536 12.765 -4.968 1.00 1.00 C ATOM 674 C GLY A 46 44.229 12.740 -4.179 1.00 1.00 C ATOM 675 O GLY A 46 43.285 13.449 -4.521 1.00 1.00 O ATOM 0 H GLY A 46 46.724 11.028 -4.885 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.325 13.204 -4.358 1.00 1.00 H new ATOM 0 HA3 GLY A 46 45.423 13.400 -5.847 1.00 1.00 H new ATOM 679 N PHE A 47 44.179 11.941 -3.117 1.00 1.00 N ATOM 680 CA PHE A 47 42.982 11.866 -2.286 1.00 1.00 C ATOM 681 C PHE A 47 42.491 13.265 -1.929 1.00 1.00 C ATOM 682 O PHE A 47 41.287 13.522 -1.896 1.00 1.00 O ATOM 683 CB PHE A 47 43.279 11.081 -1.003 1.00 1.00 C ATOM 684 CG PHE A 47 42.097 11.159 -0.069 1.00 1.00 C ATOM 685 CD1 PHE A 47 41.929 12.289 0.737 1.00 1.00 C ATOM 686 CD2 PHE A 47 41.169 10.111 -0.011 1.00 1.00 C ATOM 687 CE1 PHE A 47 40.835 12.375 1.603 1.00 1.00 C ATOM 688 CE2 PHE A 47 40.072 10.197 0.856 1.00 1.00 C ATOM 689 CZ PHE A 47 39.905 11.330 1.663 1.00 1.00 C ATOM 0 H PHE A 47 44.946 11.341 -2.814 1.00 1.00 H new ATOM 0 HA PHE A 47 42.203 11.352 -2.850 1.00 1.00 H new ATOM 0 HB2 PHE A 47 43.495 10.040 -1.245 1.00 1.00 H new ATOM 0 HB3 PHE A 47 44.166 11.486 -0.516 1.00 1.00 H new ATOM 0 HD1 PHE A 47 42.645 13.096 0.691 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.299 9.238 -0.634 1.00 1.00 H new ATOM 0 HE1 PHE A 47 40.707 13.248 2.226 1.00 1.00 H new ATOM 0 HE2 PHE A 47 39.355 9.390 0.902 1.00 1.00 H new ATOM 0 HZ PHE A 47 39.059 11.397 2.331 1.00 1.00 H new ATOM 699 N SER A 48 43.429 14.160 -1.635 1.00 1.00 N ATOM 700 CA SER A 48 43.071 15.521 -1.252 1.00 1.00 C ATOM 701 C SER A 48 42.004 16.080 -2.181 1.00 1.00 C ATOM 702 O SER A 48 41.223 16.941 -1.784 1.00 1.00 O ATOM 703 CB SER A 48 44.299 16.426 -1.292 1.00 1.00 C ATOM 704 OG SER A 48 44.839 16.426 -2.607 1.00 1.00 O ATOM 0 H SER A 48 44.431 13.971 -1.654 1.00 1.00 H new ATOM 0 HA SER A 48 42.677 15.490 -0.236 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.028 17.440 -0.998 1.00 1.00 H new ATOM 0 HB3 SER A 48 45.046 16.076 -0.579 1.00 1.00 H new ATOM 0 HG SER A 48 45.627 17.008 -2.637 1.00 1.00 H new ATOM 710 N SER A 49 41.982 15.612 -3.423 1.00 1.00 N ATOM 711 CA SER A 49 41.012 16.105 -4.387 1.00 1.00 C ATOM 712 C SER A 49 39.617 16.122 -3.780 1.00 1.00 C ATOM 713 O SER A 49 38.711 16.776 -4.297 1.00 1.00 O ATOM 714 CB SER A 49 41.016 15.194 -5.614 1.00 1.00 C ATOM 715 OG SER A 49 40.623 13.883 -5.220 1.00 1.00 O ATOM 0 H SER A 49 42.618 14.900 -3.782 1.00 1.00 H new ATOM 0 HA SER A 49 41.284 17.121 -4.672 1.00 1.00 H new ATOM 0 HB2 SER A 49 40.334 15.580 -6.371 1.00 1.00 H new ATOM 0 HB3 SER A 49 42.009 15.170 -6.062 1.00 1.00 H new ATOM 0 HG SER A 49 41.401 13.399 -4.871 1.00 1.00 H new ATOM 721 N LEU A 50 39.450 15.429 -2.662 1.00 1.00 N ATOM 722 CA LEU A 50 38.164 15.404 -1.982 1.00 1.00 C ATOM 723 C LEU A 50 37.969 16.694 -1.199 1.00 1.00 C ATOM 724 O LEU A 50 36.847 17.166 -1.026 1.00 1.00 O ATOM 725 CB LEU A 50 38.099 14.199 -1.032 1.00 1.00 C ATOM 726 CG LEU A 50 37.750 12.922 -1.824 1.00 1.00 C ATOM 727 CD1 LEU A 50 38.283 11.693 -1.085 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.227 12.785 -1.972 1.00 1.00 C ATOM 0 H LEU A 50 40.182 14.881 -2.210 1.00 1.00 H new ATOM 0 HA LEU A 50 37.370 15.315 -2.723 1.00 1.00 H new ATOM 0 HB2 LEU A 50 39.056 14.073 -0.525 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.350 14.374 -0.260 1.00 1.00 H new ATOM 0 HG LEU A 50 38.207 12.993 -2.811 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.034 10.794 -1.648 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.366 11.770 -0.984 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.830 11.639 -0.095 1.00 1.00 H new ATOM 0 HD21 LEU A 50 35.996 11.879 -2.533 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.769 12.727 -0.984 1.00 1.00 H new ATOM 0 HD23 LEU A 50 35.834 13.651 -2.504 1.00 1.00 H new ATOM 740 N LYS A 51 39.077 17.255 -0.726 1.00 1.00 N ATOM 741 CA LYS A 51 39.031 18.485 0.050 1.00 1.00 C ATOM 742 C LYS A 51 38.369 19.587 -0.766 1.00 1.00 C ATOM 743 O LYS A 51 37.643 20.424 -0.228 1.00 1.00 O ATOM 744 CB LYS A 51 40.455 18.905 0.445 1.00 1.00 C ATOM 745 CG LYS A 51 40.435 20.124 1.386 1.00 1.00 C ATOM 746 CD LYS A 51 39.885 19.730 2.769 1.00 1.00 C ATOM 747 CE LYS A 51 40.240 20.808 3.795 1.00 1.00 C ATOM 748 NZ LYS A 51 39.491 22.053 3.473 1.00 1.00 N ATOM 0 H LYS A 51 40.014 16.878 -0.867 1.00 1.00 H new ATOM 0 HA LYS A 51 38.447 18.316 0.955 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.960 18.072 0.935 1.00 1.00 H new ATOM 0 HB3 LYS A 51 41.029 19.143 -0.451 1.00 1.00 H new ATOM 0 HG2 LYS A 51 41.443 20.527 1.490 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.819 20.913 0.955 1.00 1.00 H new ATOM 0 HD2 LYS A 51 38.803 19.606 2.718 1.00 1.00 H new ATOM 0 HD3 LYS A 51 40.302 18.771 3.077 1.00 1.00 H new ATOM 0 HE2 LYS A 51 39.989 20.468 4.800 1.00 1.00 H new ATOM 0 HE3 LYS A 51 41.313 21.001 3.782 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 39.621 22.744 4.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 39.848 22.452 2.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 38.479 21.833 3.373 1.00 1.00 H new ATOM 762 N ASP A 52 38.623 19.571 -2.068 1.00 1.00 N ATOM 763 CA ASP A 52 38.042 20.566 -2.956 1.00 1.00 C ATOM 764 C ASP A 52 36.526 20.539 -2.846 1.00 1.00 C ATOM 765 O ASP A 52 35.907 21.511 -2.413 1.00 1.00 O ATOM 766 CB ASP A 52 38.465 20.300 -4.400 1.00 1.00 C ATOM 767 CG ASP A 52 39.970 20.489 -4.542 1.00 1.00 C ATOM 768 OD1 ASP A 52 40.551 21.131 -3.683 1.00 1.00 O ATOM 769 OD2 ASP A 52 40.521 19.987 -5.508 1.00 1.00 O ATOM 0 H ASP A 52 39.222 18.886 -2.528 1.00 1.00 H new ATOM 0 HA ASP A 52 38.403 21.551 -2.661 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.188 19.286 -4.688 1.00 1.00 H new ATOM 0 HB3 ASP A 52 37.939 20.978 -5.073 1.00 1.00 H new ATOM 774 N TYR A 53 35.930 19.427 -3.258 1.00 1.00 N ATOM 775 CA TYR A 53 34.482 19.302 -3.219 1.00 1.00 C ATOM 776 C TYR A 53 33.971 19.503 -1.799 1.00 1.00 C ATOM 777 O TYR A 53 33.020 20.249 -1.578 1.00 1.00 O ATOM 778 CB TYR A 53 34.060 17.916 -3.716 1.00 1.00 C ATOM 779 CG TYR A 53 34.225 17.832 -5.215 1.00 1.00 C ATOM 780 CD1 TYR A 53 33.221 18.325 -6.057 1.00 1.00 C ATOM 781 CD2 TYR A 53 35.378 17.258 -5.762 1.00 1.00 C ATOM 782 CE1 TYR A 53 33.370 18.243 -7.446 1.00 1.00 C ATOM 783 CE2 TYR A 53 35.529 17.177 -7.150 1.00 1.00 C ATOM 784 CZ TYR A 53 34.525 17.670 -7.992 1.00 1.00 C ATOM 785 OH TYR A 53 34.673 17.590 -9.362 1.00 1.00 O ATOM 0 H TYR A 53 36.421 18.609 -3.618 1.00 1.00 H new ATOM 0 HA TYR A 53 34.053 20.067 -3.866 1.00 1.00 H new ATOM 0 HB2 TYR A 53 34.663 17.148 -3.232 1.00 1.00 H new ATOM 0 HB3 TYR A 53 33.022 17.724 -3.445 1.00 1.00 H new ATOM 0 HD1 TYR A 53 32.332 18.769 -5.635 1.00 1.00 H new ATOM 0 HD2 TYR A 53 36.152 16.877 -5.112 1.00 1.00 H new ATOM 0 HE1 TYR A 53 32.595 18.621 -8.096 1.00 1.00 H new ATOM 0 HE2 TYR A 53 36.419 16.735 -7.572 1.00 1.00 H new ATOM 0 HH TYR A 53 35.531 17.167 -9.574 1.00 1.00 H new ATOM 795 N TRP A 54 34.604 18.851 -0.834 1.00 1.00 N ATOM 796 CA TRP A 54 34.181 18.994 0.552 1.00 1.00 C ATOM 797 C TRP A 54 34.157 20.470 0.937 1.00 1.00 C ATOM 798 O TRP A 54 33.116 21.009 1.313 1.00 1.00 O ATOM 799 CB TRP A 54 35.154 18.220 1.474 1.00 1.00 C ATOM 800 CG TRP A 54 34.569 16.897 1.856 1.00 1.00 C ATOM 801 CD1 TRP A 54 34.331 16.499 3.124 1.00 1.00 C ATOM 802 CD2 TRP A 54 34.144 15.805 0.993 1.00 1.00 C ATOM 803 NE1 TRP A 54 33.779 15.233 3.095 1.00 1.00 N ATOM 804 CE2 TRP A 54 33.643 14.762 1.806 1.00 1.00 C ATOM 805 CE3 TRP A 54 34.141 15.621 -0.402 1.00 1.00 C ATOM 806 CZ2 TRP A 54 33.155 13.578 1.255 1.00 1.00 C ATOM 807 CZ3 TRP A 54 33.651 14.429 -0.960 1.00 1.00 C ATOM 808 CH2 TRP A 54 33.158 13.410 -0.133 1.00 1.00 C ATOM 0 H TRP A 54 35.399 18.228 -0.980 1.00 1.00 H new ATOM 0 HA TRP A 54 33.178 18.584 0.667 1.00 1.00 H new ATOM 0 HB2 TRP A 54 36.106 18.070 0.965 1.00 1.00 H new ATOM 0 HB3 TRP A 54 35.360 18.806 2.370 1.00 1.00 H new ATOM 0 HD1 TRP A 54 34.538 17.075 4.014 1.00 1.00 H new ATOM 0 HE1 TRP A 54 33.505 14.710 3.927 1.00 1.00 H new ATOM 0 HE3 TRP A 54 34.518 16.401 -1.047 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 32.777 12.796 1.896 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 33.654 14.297 -2.032 1.00 1.00 H new ATOM 0 HH2 TRP A 54 32.781 12.496 -0.568 1.00 1.00 H new ATOM 819 N SER A 55 35.309 21.114 0.845 1.00 1.00 N ATOM 820 CA SER A 55 35.401 22.520 1.198 1.00 1.00 C ATOM 821 C SER A 55 34.284 23.305 0.527 1.00 1.00 C ATOM 822 O SER A 55 33.655 24.160 1.148 1.00 1.00 O ATOM 823 CB SER A 55 36.763 23.082 0.786 1.00 1.00 C ATOM 824 OG SER A 55 36.853 24.443 1.188 1.00 1.00 O ATOM 0 H SER A 55 36.183 20.692 0.533 1.00 1.00 H new ATOM 0 HA SER A 55 35.296 22.616 2.279 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.563 22.502 1.246 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.891 23.001 -0.293 1.00 1.00 H new ATOM 0 HG SER A 55 37.726 24.804 0.926 1.00 1.00 H new ATOM 830 N THR A 56 34.025 22.992 -0.736 1.00 1.00 N ATOM 831 CA THR A 56 32.953 23.664 -1.459 1.00 1.00 C ATOM 832 C THR A 56 31.599 23.088 -1.053 1.00 1.00 C ATOM 833 O THR A 56 30.849 23.712 -0.306 1.00 1.00 O ATOM 834 CB THR A 56 33.158 23.497 -2.960 1.00 1.00 C ATOM 835 OG1 THR A 56 33.156 22.115 -3.283 1.00 1.00 O ATOM 836 CG2 THR A 56 34.496 24.116 -3.354 1.00 1.00 C ATOM 0 H THR A 56 34.533 22.289 -1.274 1.00 1.00 H new ATOM 0 HA THR A 56 32.972 24.725 -1.210 1.00 1.00 H new ATOM 0 HB THR A 56 32.354 23.995 -3.502 1.00 1.00 H new ATOM 0 HG1 THR A 56 33.126 22.007 -4.257 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.649 24.000 -4.427 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.495 25.176 -3.100 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.301 23.615 -2.817 1.00 1.00 H new ATOM 844 N VAL A 57 31.291 21.893 -1.564 1.00 1.00 N ATOM 845 CA VAL A 57 30.018 21.234 -1.263 1.00 1.00 C ATOM 846 C VAL A 57 29.624 21.455 0.192 1.00 1.00 C ATOM 847 O VAL A 57 28.639 22.137 0.476 1.00 1.00 O ATOM 848 CB VAL A 57 30.121 19.727 -1.532 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.819 19.036 -1.115 1.00 1.00 C ATOM 850 CG2 VAL A 57 30.368 19.486 -3.023 1.00 1.00 C ATOM 0 H VAL A 57 31.903 21.364 -2.185 1.00 1.00 H new ATOM 0 HA VAL A 57 29.256 21.670 -1.909 1.00 1.00 H new ATOM 0 HB VAL A 57 30.950 19.317 -0.954 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.897 17.966 -1.308 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.644 19.201 -0.052 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.989 19.448 -1.688 1.00 1.00 H new ATOM 0 HG21 VAL A 57 30.441 18.415 -3.211 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.542 19.901 -3.600 1.00 1.00 H new ATOM 0 HG23 VAL A 57 31.298 19.971 -3.321 1.00 1.00 H new ATOM 860 N LYS A 58 30.390 20.872 1.114 1.00 1.00 N ATOM 861 CA LYS A 58 30.098 21.015 2.538 1.00 1.00 C ATOM 862 C LYS A 58 29.676 22.444 2.860 1.00 1.00 C ATOM 863 O LYS A 58 28.552 22.690 3.292 1.00 1.00 O ATOM 864 CB LYS A 58 31.347 20.651 3.352 1.00 1.00 C ATOM 865 CG LYS A 58 30.952 20.308 4.790 1.00 1.00 C ATOM 866 CD LYS A 58 32.190 19.857 5.565 1.00 1.00 C ATOM 867 CE LYS A 58 31.797 19.544 7.008 1.00 1.00 C ATOM 868 NZ LYS A 58 30.913 18.343 7.028 1.00 1.00 N ATOM 0 H LYS A 58 31.209 20.302 0.903 1.00 1.00 H new ATOM 0 HA LYS A 58 29.278 20.345 2.797 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.856 19.803 2.894 1.00 1.00 H new ATOM 0 HB3 LYS A 58 32.050 21.484 3.348 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.504 21.177 5.273 1.00 1.00 H new ATOM 0 HG3 LYS A 58 30.200 19.519 4.794 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.626 18.975 5.095 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.950 20.638 5.544 1.00 1.00 H new ATOM 0 HE2 LYS A 58 32.688 19.364 7.609 1.00 1.00 H new ATOM 0 HE3 LYS A 58 31.282 20.397 7.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 30.876 17.955 7.992 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 29.955 18.612 6.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 31.291 17.623 6.379 1.00 1.00 H new ATOM 882 N ASP A 59 30.588 23.384 2.650 1.00 1.00 N ATOM 883 CA ASP A 59 30.297 24.781 2.930 1.00 1.00 C ATOM 884 C ASP A 59 29.101 25.246 2.109 1.00 1.00 C ATOM 885 O ASP A 59 28.224 25.943 2.618 1.00 1.00 O ATOM 886 CB ASP A 59 31.518 25.643 2.604 1.00 1.00 C ATOM 887 CG ASP A 59 31.229 27.108 2.914 1.00 1.00 C ATOM 888 OD1 ASP A 59 30.094 27.411 3.246 1.00 1.00 O ATOM 889 OD2 ASP A 59 32.146 27.906 2.814 1.00 1.00 O ATOM 0 H ASP A 59 31.526 23.206 2.290 1.00 1.00 H new ATOM 0 HA ASP A 59 30.058 24.884 3.988 1.00 1.00 H new ATOM 0 HB2 ASP A 59 32.376 25.304 3.184 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.780 25.532 1.552 1.00 1.00 H new ATOM 894 N LYS A 60 29.077 24.878 0.836 1.00 1.00 N ATOM 895 CA LYS A 60 27.993 25.284 -0.046 1.00 1.00 C ATOM 896 C LYS A 60 26.678 24.658 0.386 1.00 1.00 C ATOM 897 O LYS A 60 25.611 25.038 -0.098 1.00 1.00 O ATOM 898 CB LYS A 60 28.339 24.863 -1.480 1.00 1.00 C ATOM 899 CG LYS A 60 27.352 25.484 -2.472 1.00 1.00 C ATOM 900 CD LYS A 60 27.788 25.159 -3.905 1.00 1.00 C ATOM 901 CE LYS A 60 26.803 25.800 -4.881 1.00 1.00 C ATOM 902 NZ LYS A 60 27.236 25.530 -6.279 1.00 1.00 N ATOM 0 H LYS A 60 29.792 24.302 0.393 1.00 1.00 H new ATOM 0 HA LYS A 60 27.876 26.367 0.004 1.00 1.00 H new ATOM 0 HB2 LYS A 60 29.354 25.177 -1.723 1.00 1.00 H new ATOM 0 HB3 LYS A 60 28.313 23.776 -1.563 1.00 1.00 H new ATOM 0 HG2 LYS A 60 26.348 25.099 -2.291 1.00 1.00 H new ATOM 0 HG3 LYS A 60 27.310 26.564 -2.330 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.795 25.534 -4.086 1.00 1.00 H new ATOM 0 HD3 LYS A 60 27.818 24.080 -4.054 1.00 1.00 H new ATOM 0 HE2 LYS A 60 25.802 25.402 -4.717 1.00 1.00 H new ATOM 0 HE3 LYS A 60 26.751 26.875 -4.707 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 26.564 25.967 -6.941 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 28.183 25.930 -6.432 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 27.264 24.503 -6.442 1.00 1.00 H new ATOM 916 N PHE A 61 26.744 23.712 1.302 1.00 1.00 N ATOM 917 CA PHE A 61 25.533 23.076 1.776 1.00 1.00 C ATOM 918 C PHE A 61 24.653 24.118 2.456 1.00 1.00 C ATOM 919 O PHE A 61 23.440 23.942 2.574 1.00 1.00 O ATOM 920 CB PHE A 61 25.878 21.966 2.771 1.00 1.00 C ATOM 921 CG PHE A 61 24.639 21.170 3.097 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.183 20.193 2.205 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.949 21.403 4.294 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.036 19.449 2.508 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.803 20.659 4.596 1.00 1.00 C ATOM 926 CZ PHE A 61 22.346 19.682 3.704 1.00 1.00 C ATOM 0 H PHE A 61 27.607 23.372 1.726 1.00 1.00 H new ATOM 0 HA PHE A 61 25.001 22.639 0.931 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.641 21.312 2.350 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.294 22.397 3.681 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.716 20.013 1.283 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.301 22.156 4.983 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.684 18.695 1.819 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.271 20.839 5.518 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.462 19.108 3.938 1.00 1.00 H new ATOM 936 N SER A 62 25.273 25.218 2.883 1.00 1.00 N ATOM 937 CA SER A 62 24.523 26.294 3.529 1.00 1.00 C ATOM 938 C SER A 62 23.682 27.073 2.519 1.00 1.00 C ATOM 939 O SER A 62 22.480 27.272 2.712 1.00 1.00 O ATOM 940 CB SER A 62 25.468 27.243 4.261 1.00 1.00 C ATOM 941 OG SER A 62 26.080 26.549 5.340 1.00 1.00 O ATOM 0 H SER A 62 26.275 25.386 2.796 1.00 1.00 H new ATOM 0 HA SER A 62 23.848 25.835 4.252 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.228 27.619 3.576 1.00 1.00 H new ATOM 0 HB3 SER A 62 24.919 28.108 4.633 1.00 1.00 H new ATOM 0 HG SER A 62 26.690 27.153 5.813 1.00 1.00 H new ATOM 947 N GLU A 63 24.337 27.531 1.454 1.00 1.00 N ATOM 948 CA GLU A 63 23.669 28.314 0.417 1.00 1.00 C ATOM 949 C GLU A 63 22.806 27.431 -0.473 1.00 1.00 C ATOM 950 O GLU A 63 21.749 27.854 -0.941 1.00 1.00 O ATOM 951 CB GLU A 63 24.708 29.039 -0.438 1.00 1.00 C ATOM 952 CG GLU A 63 25.508 30.026 0.424 1.00 1.00 C ATOM 953 CD GLU A 63 26.608 29.290 1.187 1.00 1.00 C ATOM 954 OE1 GLU A 63 26.653 28.075 1.101 1.00 1.00 O ATOM 955 OE2 GLU A 63 27.398 29.957 1.836 1.00 1.00 O ATOM 0 H GLU A 63 25.331 27.373 1.287 1.00 1.00 H new ATOM 0 HA GLU A 63 23.023 29.041 0.909 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.382 28.315 -0.896 1.00 1.00 H new ATOM 0 HB3 GLU A 63 24.214 29.572 -1.250 1.00 1.00 H new ATOM 0 HG2 GLU A 63 25.948 30.798 -0.208 1.00 1.00 H new ATOM 0 HG3 GLU A 63 24.843 30.529 1.126 1.00 1.00 H new ATOM 962 N PHE A 64 23.270 26.216 -0.732 1.00 1.00 N ATOM 963 CA PHE A 64 22.538 25.310 -1.600 1.00 1.00 C ATOM 964 C PHE A 64 21.109 25.142 -1.101 1.00 1.00 C ATOM 965 O PHE A 64 20.275 24.544 -1.778 1.00 1.00 O ATOM 966 CB PHE A 64 23.238 23.949 -1.612 1.00 1.00 C ATOM 967 CG PHE A 64 22.502 23.004 -2.533 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.598 23.170 -3.919 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.725 21.964 -2.004 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.918 22.299 -4.777 1.00 1.00 C ATOM 971 CE2 PHE A 64 21.045 21.093 -2.864 1.00 1.00 C ATOM 972 CZ PHE A 64 21.140 21.261 -4.250 1.00 1.00 C ATOM 0 H PHE A 64 24.141 25.840 -0.357 1.00 1.00 H new ATOM 0 HA PHE A 64 22.513 25.723 -2.608 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.270 24.063 -1.943 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.270 23.537 -0.603 1.00 1.00 H new ATOM 0 HD1 PHE A 64 23.197 23.971 -4.327 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.651 21.835 -0.934 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.993 22.427 -5.847 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.447 20.291 -2.457 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.613 20.590 -4.913 1.00 1.00 H new ATOM 982 N TRP A 65 20.822 25.690 0.078 1.00 1.00 N ATOM 983 CA TRP A 65 19.475 25.597 0.627 1.00 1.00 C ATOM 984 C TRP A 65 18.552 26.632 -0.035 1.00 1.00 C ATOM 985 O TRP A 65 17.480 26.291 -0.538 1.00 1.00 O ATOM 986 CB TRP A 65 19.530 25.840 2.137 1.00 1.00 C ATOM 987 CG TRP A 65 18.184 25.603 2.730 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.386 26.561 3.251 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.465 24.346 2.871 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.221 25.972 3.704 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.222 24.607 3.491 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.768 23.018 2.523 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.310 23.586 3.759 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.853 21.987 2.790 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.626 22.271 3.406 1.00 1.00 C ATOM 0 H TRP A 65 21.491 26.193 0.661 1.00 1.00 H new ATOM 0 HA TRP A 65 19.076 24.602 0.428 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.263 25.176 2.596 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.853 26.861 2.340 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.620 27.614 3.305 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.454 26.482 4.142 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.710 22.789 2.047 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.367 23.810 4.236 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 17.096 20.970 2.519 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.925 21.474 3.608 1.00 1.00 H new ATOM 1006 N ASP A 66 18.995 27.892 -0.048 1.00 1.00 N ATOM 1007 CA ASP A 66 18.230 28.983 -0.665 1.00 1.00 C ATOM 1008 C ASP A 66 18.542 29.076 -2.151 1.00 1.00 C ATOM 1009 O ASP A 66 19.656 29.422 -2.549 1.00 1.00 O ATOM 1010 CB ASP A 66 18.570 30.311 0.019 1.00 1.00 C ATOM 1011 CG ASP A 66 17.981 30.346 1.426 1.00 1.00 C ATOM 1012 OD1 ASP A 66 17.074 29.572 1.688 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.451 31.141 2.223 1.00 1.00 O ATOM 0 H ASP A 66 19.882 28.184 0.363 1.00 1.00 H new ATOM 0 HA ASP A 66 17.167 28.776 -0.541 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.652 30.437 0.067 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.178 31.141 -0.568 1.00 1.00 H new ATOM 1018 N LEU A 67 17.537 28.771 -2.960 1.00 1.00 N ATOM 1019 CA LEU A 67 17.655 28.815 -4.412 1.00 1.00 C ATOM 1020 C LEU A 67 17.253 30.193 -4.918 1.00 1.00 C ATOM 1021 O LEU A 67 17.064 31.125 -4.134 1.00 1.00 O ATOM 1022 CB LEU A 67 16.791 27.721 -5.063 1.00 1.00 C ATOM 1023 CG LEU A 67 17.540 26.387 -5.046 1.00 1.00 C ATOM 1024 CD1 LEU A 67 17.843 25.987 -3.601 1.00 1.00 C ATOM 1025 CD2 LEU A 67 16.664 25.317 -5.702 1.00 1.00 C ATOM 0 H LEU A 67 16.616 28.486 -2.628 1.00 1.00 H new ATOM 0 HA LEU A 67 18.693 28.627 -4.687 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.847 27.625 -4.527 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.549 27.999 -6.089 1.00 1.00 H new ATOM 0 HG LEU A 67 18.477 26.483 -5.594 1.00 1.00 H new ATOM 0 HD11 LEU A 67 18.377 25.037 -3.591 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.460 26.754 -3.133 1.00 1.00 H new ATOM 0 HD13 LEU A 67 16.909 25.885 -3.048 1.00 1.00 H new ATOM 0 HD21 LEU A 67 17.189 24.362 -5.695 1.00 1.00 H new ATOM 0 HD22 LEU A 67 15.730 25.222 -5.148 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.448 25.604 -6.731 1.00 1.00 H new ATOM 1037 N ASP A 68 17.168 30.322 -6.233 1.00 1.00 N ATOM 1038 CA ASP A 68 16.842 31.598 -6.849 1.00 1.00 C ATOM 1039 C ASP A 68 15.527 32.122 -6.271 1.00 1.00 C ATOM 1040 O ASP A 68 14.803 31.389 -5.597 1.00 1.00 O ATOM 1041 CB ASP A 68 16.724 31.399 -8.392 1.00 1.00 C ATOM 1042 CG ASP A 68 16.759 29.911 -8.759 1.00 1.00 C ATOM 1043 OD1 ASP A 68 17.747 29.266 -8.450 1.00 1.00 O ATOM 1044 OD2 ASP A 68 15.798 29.442 -9.350 1.00 1.00 O ATOM 0 H ASP A 68 17.320 29.559 -6.893 1.00 1.00 H new ATOM 0 HA ASP A 68 17.625 32.327 -6.643 1.00 1.00 H new ATOM 0 HB2 ASP A 68 15.795 31.843 -8.749 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.540 31.920 -8.893 1.00 1.00 H new ATOM 1049 N PRO A 69 15.226 33.379 -6.490 1.00 1.00 N ATOM 1050 CA PRO A 69 13.986 34.008 -5.953 1.00 1.00 C ATOM 1051 C PRO A 69 12.752 33.132 -6.187 1.00 1.00 C ATOM 1052 O PRO A 69 11.685 33.390 -5.629 1.00 1.00 O ATOM 1053 CB PRO A 69 13.875 35.352 -6.722 1.00 1.00 C ATOM 1054 CG PRO A 69 15.041 35.405 -7.683 1.00 1.00 C ATOM 1055 CD PRO A 69 16.049 34.354 -7.221 1.00 1.00 C ATOM 0 HA PRO A 69 14.035 34.145 -4.873 1.00 1.00 H new ATOM 0 HB2 PRO A 69 12.929 35.413 -7.259 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.904 36.195 -6.032 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.711 35.201 -8.702 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.493 36.397 -7.687 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.561 33.892 -8.065 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.817 34.789 -6.581 1.00 1.00 H new ATOM 1063 N GLU A 70 12.906 32.087 -6.995 1.00 1.00 N ATOM 1064 CA GLU A 70 11.799 31.172 -7.265 1.00 1.00 C ATOM 1065 C GLU A 70 12.239 29.744 -6.991 1.00 1.00 C ATOM 1066 O GLU A 70 13.024 29.168 -7.746 1.00 1.00 O ATOM 1067 CB GLU A 70 11.378 31.312 -8.732 1.00 1.00 C ATOM 1068 CG GLU A 70 10.859 32.732 -8.986 1.00 1.00 C ATOM 1069 CD GLU A 70 9.579 32.978 -8.192 1.00 1.00 C ATOM 1070 OE1 GLU A 70 8.666 32.179 -8.317 1.00 1.00 O ATOM 1071 OE2 GLU A 70 9.532 33.962 -7.472 1.00 1.00 O ATOM 0 H GLU A 70 13.777 31.853 -7.471 1.00 1.00 H new ATOM 0 HA GLU A 70 10.956 31.415 -6.619 1.00 1.00 H new ATOM 0 HB2 GLU A 70 12.225 31.101 -9.385 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.603 30.583 -8.969 1.00 1.00 H new ATOM 0 HG2 GLU A 70 11.618 33.460 -8.700 1.00 1.00 H new ATOM 0 HG3 GLU A 70 10.668 32.872 -10.050 1.00 1.00 H new ATOM 1078 N VAL A 71 11.706 29.167 -5.912 1.00 1.00 N ATOM 1079 CA VAL A 71 12.033 27.796 -5.564 1.00 1.00 C ATOM 1080 C VAL A 71 10.971 26.876 -6.135 1.00 1.00 C ATOM 1081 O VAL A 71 9.981 26.563 -5.480 1.00 1.00 O ATOM 1082 CB VAL A 71 12.071 27.663 -4.027 1.00 1.00 C ATOM 1083 CG1 VAL A 71 13.070 28.684 -3.464 1.00 1.00 C ATOM 1084 CG2 VAL A 71 10.661 27.916 -3.413 1.00 1.00 C ATOM 0 H VAL A 71 11.055 29.626 -5.275 1.00 1.00 H new ATOM 0 HA VAL A 71 13.006 27.524 -5.974 1.00 1.00 H new ATOM 0 HB VAL A 71 12.380 26.651 -3.766 1.00 1.00 H new ATOM 0 HG11 VAL A 71 13.105 28.598 -2.378 1.00 1.00 H new ATOM 0 HG12 VAL A 71 14.060 28.489 -3.875 1.00 1.00 H new ATOM 0 HG13 VAL A 71 12.755 29.691 -3.739 1.00 1.00 H new ATOM 0 HG21 VAL A 71 10.713 27.817 -2.329 1.00 1.00 H new ATOM 0 HG22 VAL A 71 10.327 28.921 -3.670 1.00 1.00 H new ATOM 0 HG23 VAL A 71 9.955 27.187 -3.811 1.00 1.00 H new ATOM 1094 N ARG A 72 11.187 26.427 -7.373 1.00 1.00 N ATOM 1095 CA ARG A 72 10.239 25.519 -8.023 1.00 1.00 C ATOM 1096 C ARG A 72 10.940 24.271 -8.559 1.00 1.00 C ATOM 1097 O ARG A 72 12.116 24.335 -8.918 1.00 1.00 O ATOM 1098 CB ARG A 72 9.507 26.226 -9.156 1.00 1.00 C ATOM 1099 CG ARG A 72 8.928 27.536 -8.630 1.00 1.00 C ATOM 1100 CD ARG A 72 8.084 28.192 -9.718 1.00 1.00 C ATOM 1101 NE ARG A 72 7.618 29.498 -9.272 1.00 1.00 N ATOM 1102 CZ ARG A 72 6.933 30.294 -10.084 1.00 1.00 C ATOM 1103 NH1 ARG A 72 6.604 29.880 -11.277 1.00 1.00 N ATOM 1104 NH2 ARG A 72 6.588 31.488 -9.689 1.00 1.00 N ATOM 0 H ARG A 72 11.999 26.673 -7.940 1.00 1.00 H new ATOM 0 HA ARG A 72 9.515 25.209 -7.269 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.191 26.421 -9.982 1.00 1.00 H new ATOM 0 HB3 ARG A 72 8.711 25.591 -9.544 1.00 1.00 H new ATOM 0 HG2 ARG A 72 8.319 27.348 -7.746 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.733 28.205 -8.326 1.00 1.00 H new ATOM 0 HD2 ARG A 72 8.672 28.299 -10.630 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.232 27.557 -9.961 1.00 1.00 H new ATOM 0 HE ARG A 72 7.821 29.806 -8.321 1.00 1.00 H new ATOM 0 HH11 ARG A 72 6.873 28.946 -11.585 1.00 1.00 H new ATOM 0 HH12 ARG A 72 6.078 30.491 -11.902 1.00 1.00 H new ATOM 0 HH21 ARG A 72 6.845 31.810 -8.756 1.00 1.00 H new ATOM 0 HH22 ARG A 72 6.062 32.099 -10.313 1.00 1.00 H new ATOM 1118 N PRO A 73 10.251 23.148 -8.669 1.00 1.00 N ATOM 1119 CA PRO A 73 10.861 21.911 -9.229 1.00 1.00 C ATOM 1120 C PRO A 73 11.013 22.009 -10.755 1.00 1.00 C ATOM 1121 O PRO A 73 11.743 21.230 -11.367 1.00 1.00 O ATOM 1122 CB PRO A 73 9.883 20.769 -8.841 1.00 1.00 C ATOM 1123 CG PRO A 73 8.748 21.407 -8.079 1.00 1.00 C ATOM 1124 CD PRO A 73 8.840 22.921 -8.295 1.00 1.00 C ATOM 0 HA PRO A 73 11.864 21.741 -8.838 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.513 20.258 -9.730 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.386 20.020 -8.230 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.789 21.027 -8.431 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.816 21.167 -7.018 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.161 23.253 -9.081 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.574 23.469 -7.391 1.00 1.00 H new ATOM 1132 N THR A 74 10.292 22.954 -11.365 1.00 1.00 N ATOM 1133 CA THR A 74 10.329 23.119 -12.823 1.00 1.00 C ATOM 1134 C THR A 74 11.532 23.922 -13.272 1.00 1.00 C ATOM 1135 O THR A 74 12.422 23.409 -13.953 1.00 1.00 O ATOM 1136 CB THR A 74 9.041 23.793 -13.305 1.00 1.00 C ATOM 1137 OG1 THR A 74 7.932 22.975 -12.963 1.00 1.00 O ATOM 1138 CG2 THR A 74 9.090 23.972 -14.825 1.00 1.00 C ATOM 0 H THR A 74 9.681 23.611 -10.879 1.00 1.00 H new ATOM 0 HA THR A 74 10.412 22.126 -13.265 1.00 1.00 H new ATOM 0 HB THR A 74 8.941 24.769 -12.831 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.104 23.402 -13.268 1.00 1.00 H new ATOM 0 HG21 THR A 74 8.172 24.452 -15.165 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.945 24.594 -15.091 1.00 1.00 H new ATOM 0 HG23 THR A 74 9.188 22.997 -15.303 1.00 1.00 H new ATOM 1146 N SER A 75 11.532 25.192 -12.920 1.00 1.00 N ATOM 1147 CA SER A 75 12.610 26.079 -13.316 1.00 1.00 C ATOM 1148 C SER A 75 13.939 25.552 -12.802 1.00 1.00 C ATOM 1149 O SER A 75 14.951 25.619 -13.497 1.00 1.00 O ATOM 1150 CB SER A 75 12.362 27.478 -12.755 1.00 1.00 C ATOM 1151 OG SER A 75 13.566 28.231 -12.830 1.00 1.00 O ATOM 0 H SER A 75 10.801 25.633 -12.362 1.00 1.00 H new ATOM 0 HA SER A 75 12.644 26.126 -14.404 1.00 1.00 H new ATOM 0 HB2 SER A 75 11.573 27.975 -13.319 1.00 1.00 H new ATOM 0 HB3 SER A 75 12.023 27.414 -11.721 1.00 1.00 H new ATOM 0 HG SER A 75 13.412 29.130 -12.473 1.00 1.00 H new ATOM 1157 N ALA A 76 13.937 25.020 -11.586 1.00 1.00 N ATOM 1158 CA ALA A 76 15.166 24.483 -11.015 1.00 1.00 C ATOM 1159 C ALA A 76 15.781 23.452 -11.958 1.00 1.00 C ATOM 1160 O ALA A 76 16.899 23.627 -12.441 1.00 1.00 O ATOM 1161 CB ALA A 76 14.879 23.837 -9.660 1.00 1.00 C ATOM 0 H ALA A 76 13.115 24.949 -10.986 1.00 1.00 H new ATOM 0 HA ALA A 76 15.871 25.302 -10.877 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.804 23.439 -9.243 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.466 24.583 -8.981 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.161 23.027 -9.788 1.00 1.00 H new ATOM 1167 N VAL A 77 15.052 22.367 -12.200 1.00 1.00 N ATOM 1168 CA VAL A 77 15.563 21.313 -13.071 1.00 1.00 C ATOM 1169 C VAL A 77 15.820 21.867 -14.469 1.00 1.00 C ATOM 1170 O VAL A 77 16.899 21.676 -15.030 1.00 1.00 O ATOM 1171 CB VAL A 77 14.548 20.169 -13.155 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.003 19.136 -14.191 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.418 19.494 -11.788 1.00 1.00 C ATOM 0 H VAL A 77 14.124 22.195 -11.814 1.00 1.00 H new ATOM 0 HA VAL A 77 16.499 20.938 -12.656 1.00 1.00 H new ATOM 0 HB VAL A 77 13.582 20.576 -13.455 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.274 18.327 -14.243 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.086 19.613 -15.168 1.00 1.00 H new ATOM 0 HG13 VAL A 77 15.973 18.732 -13.901 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.695 18.681 -11.851 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.387 19.096 -11.485 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.080 20.224 -11.053 1.00 1.00 H new ATOM 1183 N ALA A 78 14.835 22.565 -15.020 1.00 1.00 N ATOM 1184 CA ALA A 78 14.976 23.155 -16.345 1.00 1.00 C ATOM 1185 C ALA A 78 16.014 24.273 -16.320 1.00 1.00 C ATOM 1186 O ALA A 78 16.395 24.808 -17.362 1.00 1.00 O ATOM 1187 CB ALA A 78 13.629 23.709 -16.812 1.00 1.00 C ATOM 0 H ALA A 78 13.934 22.736 -14.573 1.00 1.00 H new ATOM 0 HA ALA A 78 15.308 22.383 -17.039 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.740 24.149 -17.803 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.898 22.901 -16.853 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.287 24.472 -16.113 1.00 1.00 H new ATOM 1193 N ALA A 79 16.459 24.622 -15.117 1.00 1.00 N ATOM 1194 CA ALA A 79 17.448 25.681 -14.956 1.00 1.00 C ATOM 1195 C ALA A 79 17.843 25.837 -13.491 1.00 1.00 C ATOM 1196 O ALA A 79 18.871 25.297 -13.114 1.00 1.00 O ATOM 1197 CB ALA A 79 16.876 27.001 -15.476 1.00 1.00 C ATOM 1198 OXT ALA A 79 17.116 26.499 -12.768 1.00 1.00 O ATOM 0 H ALA A 79 16.153 24.190 -14.245 1.00 1.00 H new ATOM 0 HA ALA A 79 18.337 25.413 -15.527 1.00 1.00 H new ATOM 0 HB1 ALA A 79 17.617 27.791 -15.355 1.00 1.00 H new ATOM 0 HB2 ALA A 79 16.625 26.898 -16.532 1.00 1.00 H new ATOM 0 HB3 ALA A 79 15.978 27.256 -14.913 1.00 1.00 H new