USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 536 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= 0.872 USER MOD Set 1.2: A 46 THR OG1 : rot -122:sc= 0.00287! USER MOD Single : A 3 GLN : amide:sc= -1.67 K(o=-1.7,f=-4!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 12 MET CE :methyl -126:sc= -5.33! (180deg=-10.3!) USER MOD Single : A 13 THR OG1 : rot -61:sc= 1.15 USER MOD Single : A 20 THR OG1 : rot 89:sc= -0.307! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -71:sc= -2.64! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= -0.629 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -93:sc= 0.0563 USER MOD Single : A 59 LYS NZ :NH3+ 136:sc= 0.623 (180deg=-0.207) USER MOD Single : A 61 THR OG1 : rot -29:sc= -3.3! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot -90:sc= -1.4 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0729 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 27 N GLN A 3 -0.455 5.544 13.462 1.00 0.00 N ATOM 28 CA GLN A 3 -1.345 4.353 13.404 1.00 0.00 C ATOM 29 C GLN A 3 -2.345 4.433 12.247 1.00 0.00 C ATOM 30 O GLN A 3 -2.544 5.461 11.622 1.00 0.00 O ATOM 31 CB GLN A 3 -2.115 4.239 14.721 1.00 0.00 C ATOM 32 CG GLN A 3 -1.636 3.004 15.487 1.00 0.00 C ATOM 33 CD GLN A 3 -2.845 2.231 16.015 1.00 0.00 C ATOM 34 OE1 GLN A 3 -3.781 1.970 15.285 1.00 0.00 O ATOM 35 NE2 GLN A 3 -2.867 1.850 17.264 1.00 0.00 N ATOM 0 HA GLN A 3 -0.717 3.477 13.242 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.962 5.135 15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -3.185 4.166 14.524 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -1.040 2.366 14.834 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.992 3.303 16.314 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -2.082 2.068 17.878 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.669 1.334 17.626 1.00 0.00 H new ATOM 44 N THR A 4 -2.983 3.323 11.994 1.00 0.00 N ATOM 45 CA THR A 4 -4.008 3.217 10.920 1.00 0.00 C ATOM 46 C THR A 4 -5.356 2.970 11.610 1.00 0.00 C ATOM 47 O THR A 4 -5.624 1.885 12.088 1.00 0.00 O ATOM 48 CB THR A 4 -3.634 2.028 10.025 1.00 0.00 C ATOM 49 OG1 THR A 4 -4.516 1.966 8.915 1.00 0.00 O ATOM 50 CG2 THR A 4 -3.733 0.728 10.824 1.00 0.00 C ATOM 0 H THR A 4 -2.829 2.455 12.507 1.00 0.00 H new ATOM 0 HA THR A 4 -4.064 4.117 10.308 1.00 0.00 H new ATOM 0 HB THR A 4 -2.612 2.159 9.669 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.272 1.206 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.467 -0.113 10.184 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.050 0.769 11.672 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.753 0.600 11.186 1.00 0.00 H new ATOM 58 N VAL A 5 -6.194 3.971 11.715 1.00 0.00 N ATOM 59 CA VAL A 5 -7.490 3.769 12.428 1.00 0.00 C ATOM 60 C VAL A 5 -8.506 4.807 11.965 1.00 0.00 C ATOM 61 O VAL A 5 -8.308 5.486 10.977 1.00 0.00 O ATOM 62 CB VAL A 5 -7.279 3.910 13.940 1.00 0.00 C ATOM 63 CG1 VAL A 5 -8.277 3.012 14.676 1.00 0.00 C ATOM 64 CG2 VAL A 5 -5.853 3.493 14.310 1.00 0.00 C ATOM 0 H VAL A 5 -6.039 4.908 11.343 1.00 0.00 H new ATOM 0 HA VAL A 5 -7.863 2.770 12.203 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.434 4.950 14.228 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.130 3.110 15.752 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.293 3.311 14.420 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.119 1.975 14.381 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.711 3.596 15.386 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -5.691 2.455 14.021 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.140 4.131 13.787 1.00 0.00 H new ATOM 74 N THR A 6 -9.597 4.940 12.671 1.00 0.00 N ATOM 75 CA THR A 6 -10.617 5.934 12.265 1.00 0.00 C ATOM 76 C THR A 6 -10.366 7.230 13.028 1.00 0.00 C ATOM 77 O THR A 6 -9.908 7.222 14.152 1.00 0.00 O ATOM 78 CB THR A 6 -12.017 5.400 12.583 1.00 0.00 C ATOM 79 OG1 THR A 6 -12.197 4.144 11.944 1.00 0.00 O ATOM 80 CG2 THR A 6 -13.071 6.387 12.076 1.00 0.00 C ATOM 0 H THR A 6 -9.821 4.402 13.508 1.00 0.00 H new ATOM 0 HA THR A 6 -10.551 6.119 11.193 1.00 0.00 H new ATOM 0 HB THR A 6 -12.124 5.281 13.661 1.00 0.00 H new ATOM 0 HG1 THR A 6 -13.091 3.799 12.147 1.00 0.00 H new ATOM 0 HG21 THR A 6 -14.066 6.005 12.303 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.932 7.351 12.565 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.967 6.509 10.998 1.00 0.00 H new ATOM 88 N LEU A 7 -10.657 8.341 12.425 1.00 0.00 N ATOM 89 CA LEU A 7 -10.436 9.640 13.106 1.00 0.00 C ATOM 90 C LEU A 7 -11.678 10.496 12.893 1.00 0.00 C ATOM 91 O LEU A 7 -12.241 10.521 11.822 1.00 0.00 O ATOM 92 CB LEU A 7 -9.209 10.337 12.499 1.00 0.00 C ATOM 93 CG LEU A 7 -8.023 10.221 13.454 1.00 0.00 C ATOM 94 CD1 LEU A 7 -6.995 9.248 12.873 1.00 0.00 C ATOM 95 CD2 LEU A 7 -7.378 11.596 13.636 1.00 0.00 C ATOM 0 H LEU A 7 -11.041 8.407 11.482 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.259 9.490 14.171 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.960 9.885 11.539 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.433 11.387 12.308 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.368 9.852 14.420 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.148 9.164 13.554 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.454 8.268 12.743 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.649 9.617 11.908 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.531 11.513 14.318 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.032 11.966 12.671 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.110 12.290 14.049 1.00 0.00 H new ATOM 107 N ALA A 8 -12.127 11.190 13.893 1.00 0.00 N ATOM 108 CA ALA A 8 -13.342 12.023 13.700 1.00 0.00 C ATOM 109 C ALA A 8 -12.946 13.493 13.700 1.00 0.00 C ATOM 110 O ALA A 8 -12.218 13.952 14.560 1.00 0.00 O ATOM 111 CB ALA A 8 -14.343 11.759 14.823 1.00 0.00 C ATOM 0 H ALA A 8 -11.714 11.219 14.825 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.807 11.768 12.748 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -15.230 12.375 14.672 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.627 10.707 14.818 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.888 12.007 15.782 1.00 0.00 H new ATOM 117 N VAL A 9 -13.413 14.237 12.741 1.00 0.00 N ATOM 118 CA VAL A 9 -13.059 15.670 12.688 1.00 0.00 C ATOM 119 C VAL A 9 -14.015 16.458 13.594 1.00 0.00 C ATOM 120 O VAL A 9 -14.845 15.874 14.261 1.00 0.00 O ATOM 121 CB VAL A 9 -13.177 16.166 11.251 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.559 15.150 10.289 1.00 0.00 C ATOM 123 CG2 VAL A 9 -14.644 16.354 10.898 1.00 0.00 C ATOM 0 H VAL A 9 -14.025 13.910 11.993 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.035 15.813 13.033 1.00 0.00 H new ATOM 0 HB VAL A 9 -12.647 17.115 11.162 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.650 15.516 9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.506 15.012 10.533 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.081 14.197 10.381 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -14.728 16.709 9.871 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -15.167 15.403 10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.090 17.086 11.572 1.00 0.00 H new ATOM 133 N PRO A 10 -13.880 17.764 13.585 1.00 0.00 N ATOM 134 CA PRO A 10 -14.798 18.555 14.438 1.00 0.00 C ATOM 135 C PRO A 10 -15.716 19.435 13.585 1.00 0.00 C ATOM 136 O PRO A 10 -16.660 20.016 14.082 1.00 0.00 O ATOM 137 CB PRO A 10 -13.899 19.423 15.328 1.00 0.00 C ATOM 138 CG PRO A 10 -12.446 19.220 14.861 1.00 0.00 C ATOM 139 CD PRO A 10 -12.454 18.127 13.789 1.00 0.00 C ATOM 0 HA PRO A 10 -15.445 17.907 15.028 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.183 20.473 15.251 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.008 19.139 16.375 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -12.040 20.148 14.459 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.811 18.931 15.699 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.006 18.486 12.862 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.873 17.262 14.109 1.00 0.00 H new ATOM 147 N GLY A 11 -15.465 19.538 12.309 1.00 0.00 N ATOM 148 CA GLY A 11 -16.354 20.377 11.454 1.00 0.00 C ATOM 149 C GLY A 11 -17.779 19.856 11.574 1.00 0.00 C ATOM 150 O GLY A 11 -18.698 20.588 11.882 1.00 0.00 O ATOM 0 H GLY A 11 -14.691 19.083 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -16.305 21.420 11.767 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.024 20.340 10.416 1.00 0.00 H new ATOM 154 N MET A 12 -17.965 18.590 11.336 1.00 0.00 N ATOM 155 CA MET A 12 -19.327 18.003 11.435 1.00 0.00 C ATOM 156 C MET A 12 -20.302 18.851 10.620 1.00 0.00 C ATOM 157 O MET A 12 -20.752 19.884 11.072 1.00 0.00 O ATOM 158 CB MET A 12 -19.787 18.003 12.897 1.00 0.00 C ATOM 159 CG MET A 12 -18.583 17.885 13.833 1.00 0.00 C ATOM 160 SD MET A 12 -18.953 16.684 15.136 1.00 0.00 S ATOM 161 CE MET A 12 -17.402 15.760 15.042 1.00 0.00 C ATOM 0 H MET A 12 -17.229 17.934 11.076 1.00 0.00 H new ATOM 0 HA MET A 12 -19.303 16.982 11.055 1.00 0.00 H new ATOM 0 HB2 MET A 12 -20.335 18.920 13.113 1.00 0.00 H new ATOM 0 HB3 MET A 12 -20.473 17.174 13.069 1.00 0.00 H new ATOM 0 HG2 MET A 12 -17.702 17.571 13.273 1.00 0.00 H new ATOM 0 HG3 MET A 12 -18.353 18.856 14.272 1.00 0.00 H new ATOM 0 HE1 MET A 12 -17.617 14.701 14.901 1.00 0.00 H new ATOM 0 HE2 MET A 12 -16.811 16.125 14.202 1.00 0.00 H new ATOM 0 HE3 MET A 12 -16.841 15.896 15.967 1.00 0.00 H new ATOM 171 N THR A 13 -20.639 18.421 9.432 1.00 0.00 N ATOM 172 CA THR A 13 -21.600 19.199 8.595 1.00 0.00 C ATOM 173 C THR A 13 -21.338 20.701 8.747 1.00 0.00 C ATOM 174 O THR A 13 -22.252 21.485 8.911 1.00 0.00 O ATOM 175 CB THR A 13 -23.023 18.892 9.061 1.00 0.00 C ATOM 176 OG1 THR A 13 -23.946 19.672 8.312 1.00 0.00 O ATOM 177 CG2 THR A 13 -23.147 19.232 10.547 1.00 0.00 C ATOM 0 H THR A 13 -20.290 17.563 9.005 1.00 0.00 H new ATOM 0 HA THR A 13 -21.474 18.919 7.549 1.00 0.00 H new ATOM 0 HB THR A 13 -23.241 17.835 8.909 1.00 0.00 H new ATOM 0 HG1 THR A 13 -23.767 20.624 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 13 -24.160 19.015 10.886 1.00 0.00 H new ATOM 0 HG22 THR A 13 -22.437 18.633 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 13 -22.932 20.290 10.697 1.00 0.00 H new ATOM 185 N CYS A 14 -20.102 21.109 8.698 1.00 0.00 N ATOM 186 CA CYS A 14 -19.789 22.559 8.844 1.00 0.00 C ATOM 187 C CYS A 14 -19.816 23.231 7.471 1.00 0.00 C ATOM 188 O CYS A 14 -19.200 24.257 7.260 1.00 0.00 O ATOM 189 CB CYS A 14 -18.399 22.713 9.453 1.00 0.00 C ATOM 190 SG CYS A 14 -18.049 24.467 9.736 1.00 0.00 S ATOM 0 H CYS A 14 -19.294 20.502 8.563 1.00 0.00 H new ATOM 0 HA CYS A 14 -20.530 23.028 9.491 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.340 22.164 10.393 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.650 22.285 8.787 1.00 0.00 H new ATOM 196 N ALA A 15 -20.519 22.652 6.537 1.00 0.00 N ATOM 197 CA ALA A 15 -20.594 23.240 5.168 1.00 0.00 C ATOM 198 C ALA A 15 -19.354 22.833 4.369 1.00 0.00 C ATOM 199 O ALA A 15 -19.450 22.413 3.234 1.00 0.00 O ATOM 200 CB ALA A 15 -20.670 24.766 5.257 1.00 0.00 C ATOM 0 H ALA A 15 -21.049 21.790 6.664 1.00 0.00 H new ATOM 0 HA ALA A 15 -21.488 22.868 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -20.724 25.187 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -21.558 25.054 5.820 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -19.782 25.146 5.762 1.00 0.00 H new ATOM 206 N ALA A 16 -18.188 22.951 4.948 1.00 0.00 N ATOM 207 CA ALA A 16 -16.957 22.563 4.202 1.00 0.00 C ATOM 208 C ALA A 16 -15.719 22.735 5.088 1.00 0.00 C ATOM 209 O ALA A 16 -14.634 22.981 4.599 1.00 0.00 O ATOM 210 CB ALA A 16 -16.818 23.448 2.962 1.00 0.00 C ATOM 0 H ALA A 16 -18.036 23.296 5.896 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.038 21.517 3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.919 23.167 2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.690 23.316 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.746 24.492 3.266 1.00 0.00 H new ATOM 216 N CYS A 17 -15.855 22.600 6.381 1.00 0.00 N ATOM 217 CA CYS A 17 -14.660 22.753 7.259 1.00 0.00 C ATOM 218 C CYS A 17 -13.954 21.398 7.394 1.00 0.00 C ATOM 219 O CYS A 17 -12.744 21.330 7.325 1.00 0.00 O ATOM 220 CB CYS A 17 -15.072 23.280 8.639 1.00 0.00 C ATOM 221 SG CYS A 17 -16.325 24.573 8.443 1.00 0.00 S ATOM 0 H CYS A 17 -16.731 22.393 6.862 1.00 0.00 H new ATOM 0 HA CYS A 17 -13.976 23.474 6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -15.466 22.466 9.248 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -14.203 23.678 9.163 1.00 0.00 H new ATOM 227 N PRO A 18 -14.729 20.353 7.562 1.00 0.00 N ATOM 228 CA PRO A 18 -14.083 19.025 7.672 1.00 0.00 C ATOM 229 C PRO A 18 -13.570 18.599 6.309 1.00 0.00 C ATOM 230 O PRO A 18 -12.629 17.838 6.201 1.00 0.00 O ATOM 231 CB PRO A 18 -15.165 18.067 8.159 1.00 0.00 C ATOM 232 CG PRO A 18 -16.464 18.876 8.333 1.00 0.00 C ATOM 233 CD PRO A 18 -16.178 20.311 7.873 1.00 0.00 C ATOM 0 HA PRO A 18 -13.236 19.038 8.357 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.311 17.259 7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -14.872 17.607 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.270 18.438 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.787 18.864 9.374 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.774 20.567 6.997 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.432 21.030 8.652 1.00 0.00 H new ATOM 241 N ILE A 19 -14.157 19.098 5.260 1.00 0.00 N ATOM 242 CA ILE A 19 -13.659 18.726 3.917 1.00 0.00 C ATOM 243 C ILE A 19 -12.146 18.934 3.924 1.00 0.00 C ATOM 244 O ILE A 19 -11.413 18.319 3.174 1.00 0.00 O ATOM 245 CB ILE A 19 -14.300 19.621 2.854 1.00 0.00 C ATOM 246 CG1 ILE A 19 -15.813 19.387 2.832 1.00 0.00 C ATOM 247 CG2 ILE A 19 -13.715 19.284 1.482 1.00 0.00 C ATOM 248 CD1 ILE A 19 -16.414 20.058 1.595 1.00 0.00 C ATOM 0 H ILE A 19 -14.950 19.739 5.276 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.909 17.691 3.685 1.00 0.00 H new ATOM 0 HB ILE A 19 -14.096 20.665 3.091 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -16.026 18.318 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -16.268 19.792 3.736 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.172 19.922 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -12.638 19.451 1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.918 18.239 1.247 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -17.491 19.892 1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -16.212 21.129 1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.967 19.632 0.697 1.00 0.00 H new ATOM 260 N THR A 20 -11.678 19.800 4.789 1.00 0.00 N ATOM 261 CA THR A 20 -10.219 20.061 4.879 1.00 0.00 C ATOM 262 C THR A 20 -9.592 19.103 5.889 1.00 0.00 C ATOM 263 O THR A 20 -8.541 18.544 5.643 1.00 0.00 O ATOM 264 CB THR A 20 -9.975 21.507 5.315 1.00 0.00 C ATOM 265 OG1 THR A 20 -11.198 22.082 5.753 1.00 0.00 O ATOM 266 CG2 THR A 20 -9.424 22.312 4.138 1.00 0.00 C ATOM 0 H THR A 20 -12.252 20.338 5.438 1.00 0.00 H new ATOM 0 HA THR A 20 -9.764 19.904 3.901 1.00 0.00 H new ATOM 0 HB THR A 20 -9.253 21.522 6.132 1.00 0.00 H new ATOM 0 HG1 THR A 20 -11.318 21.907 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.251 23.342 4.451 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.485 21.871 3.804 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.143 22.298 3.319 1.00 0.00 H new ATOM 274 N VAL A 21 -10.223 18.891 7.017 1.00 0.00 N ATOM 275 CA VAL A 21 -9.641 17.944 8.009 1.00 0.00 C ATOM 276 C VAL A 21 -9.200 16.690 7.251 1.00 0.00 C ATOM 277 O VAL A 21 -8.104 16.199 7.429 1.00 0.00 O ATOM 278 CB VAL A 21 -10.684 17.567 9.055 1.00 0.00 C ATOM 279 CG1 VAL A 21 -10.073 16.538 10.009 1.00 0.00 C ATOM 280 CG2 VAL A 21 -11.081 18.815 9.842 1.00 0.00 C ATOM 0 H VAL A 21 -11.104 19.327 7.289 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.796 18.407 8.519 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.566 17.148 8.571 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -10.809 16.259 10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.776 15.653 9.447 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.199 16.969 10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.827 18.551 10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.202 19.229 10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.498 19.557 9.161 1.00 0.00 H new ATOM 290 N LYS A 22 -10.044 16.180 6.380 1.00 0.00 N ATOM 291 CA LYS A 22 -9.653 14.973 5.591 1.00 0.00 C ATOM 292 C LYS A 22 -8.230 15.160 5.051 1.00 0.00 C ATOM 293 O LYS A 22 -7.295 14.468 5.438 1.00 0.00 O ATOM 294 CB LYS A 22 -10.626 14.809 4.414 1.00 0.00 C ATOM 295 CG LYS A 22 -10.013 13.893 3.349 1.00 0.00 C ATOM 296 CD LYS A 22 -11.055 13.596 2.269 1.00 0.00 C ATOM 297 CE LYS A 22 -10.591 14.184 0.935 1.00 0.00 C ATOM 298 NZ LYS A 22 -10.486 13.096 -0.078 1.00 0.00 N ATOM 0 H LYS A 22 -10.976 16.546 6.186 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.688 14.088 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.568 14.390 4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.853 15.783 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.139 14.369 2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.672 12.964 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.198 12.520 2.174 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.018 14.022 2.551 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.295 14.944 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.626 14.675 1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.171 13.495 -0.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.799 12.386 0.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.416 12.646 -0.202 1.00 0.00 H new ATOM 312 N LYS A 23 -8.064 16.091 4.153 1.00 0.00 N ATOM 313 CA LYS A 23 -6.716 16.338 3.578 1.00 0.00 C ATOM 314 C LYS A 23 -5.742 16.612 4.719 1.00 0.00 C ATOM 315 O LYS A 23 -4.593 16.230 4.673 1.00 0.00 O ATOM 316 CB LYS A 23 -6.770 17.550 2.643 1.00 0.00 C ATOM 317 CG LYS A 23 -6.645 17.084 1.191 1.00 0.00 C ATOM 318 CD LYS A 23 -7.600 17.892 0.309 1.00 0.00 C ATOM 319 CE LYS A 23 -7.743 17.206 -1.052 1.00 0.00 C ATOM 320 NZ LYS A 23 -7.081 18.035 -2.099 1.00 0.00 N ATOM 0 H LYS A 23 -8.806 16.691 3.793 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.388 15.467 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.707 18.089 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.964 18.244 2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.619 17.210 0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.877 16.022 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.574 17.975 0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.222 18.906 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.293 16.214 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.797 17.070 -1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.178 17.569 -3.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.530 18.972 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.072 18.143 -1.870 1.00 0.00 H new ATOM 334 N ALA A 24 -6.198 17.268 5.748 1.00 0.00 N ATOM 335 CA ALA A 24 -5.302 17.563 6.898 1.00 0.00 C ATOM 336 C ALA A 24 -4.604 16.276 7.339 1.00 0.00 C ATOM 337 O ALA A 24 -3.406 16.247 7.533 1.00 0.00 O ATOM 338 CB ALA A 24 -6.129 18.127 8.053 1.00 0.00 C ATOM 0 H ALA A 24 -7.153 17.613 5.842 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.552 18.296 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.474 18.344 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.624 19.044 7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.879 17.396 8.354 1.00 0.00 H new ATOM 344 N LEU A 25 -5.336 15.208 7.491 1.00 0.00 N ATOM 345 CA LEU A 25 -4.696 13.930 7.908 1.00 0.00 C ATOM 346 C LEU A 25 -3.751 13.468 6.793 1.00 0.00 C ATOM 347 O LEU A 25 -2.546 13.495 6.934 1.00 0.00 O ATOM 348 CB LEU A 25 -5.774 12.866 8.150 1.00 0.00 C ATOM 349 CG LEU A 25 -6.887 13.447 9.029 1.00 0.00 C ATOM 350 CD1 LEU A 25 -8.249 12.966 8.520 1.00 0.00 C ATOM 351 CD2 LEU A 25 -6.695 12.980 10.474 1.00 0.00 C ATOM 0 H LEU A 25 -6.345 15.165 7.345 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.135 14.078 8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.187 12.530 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.335 11.993 8.633 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.846 14.535 8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -9.039 13.380 9.147 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.391 13.297 7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.288 11.877 8.559 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.487 13.394 11.098 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.734 11.891 10.513 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.727 13.322 10.841 1.00 0.00 H new ATOM 363 N SER A 26 -4.300 13.044 5.687 1.00 0.00 N ATOM 364 CA SER A 26 -3.462 12.572 4.548 1.00 0.00 C ATOM 365 C SER A 26 -2.462 13.658 4.116 1.00 0.00 C ATOM 366 O SER A 26 -1.549 13.395 3.361 1.00 0.00 O ATOM 367 CB SER A 26 -4.371 12.212 3.369 1.00 0.00 C ATOM 368 OG SER A 26 -4.208 13.169 2.329 1.00 0.00 O ATOM 0 H SER A 26 -5.306 13.004 5.523 1.00 0.00 H new ATOM 0 HA SER A 26 -2.899 11.695 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.128 11.215 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.411 12.187 3.694 1.00 0.00 H new ATOM 0 HG SER A 26 -4.789 12.935 1.575 1.00 0.00 H new ATOM 374 N LYS A 27 -2.610 14.873 4.576 1.00 0.00 N ATOM 375 CA LYS A 27 -1.638 15.927 4.165 1.00 0.00 C ATOM 376 C LYS A 27 -0.670 16.208 5.319 1.00 0.00 C ATOM 377 O LYS A 27 0.232 17.013 5.205 1.00 0.00 O ATOM 378 CB LYS A 27 -2.384 17.211 3.775 1.00 0.00 C ATOM 379 CG LYS A 27 -2.772 18.000 5.028 1.00 0.00 C ATOM 380 CD LYS A 27 -1.796 19.162 5.222 1.00 0.00 C ATOM 381 CE LYS A 27 -2.536 20.357 5.827 1.00 0.00 C ATOM 382 NZ LYS A 27 -1.554 21.278 6.465 1.00 0.00 N ATOM 0 H LYS A 27 -3.350 15.177 5.209 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.074 15.578 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.754 17.825 3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.277 16.961 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.790 18.378 4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.756 17.348 5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.978 18.858 5.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.353 19.442 4.266 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.094 20.883 5.052 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.261 20.014 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.056 22.090 6.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.041 20.773 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.879 21.615 5.750 1.00 0.00 H new ATOM 396 N VAL A 28 -0.848 15.542 6.428 1.00 0.00 N ATOM 397 CA VAL A 28 0.060 15.757 7.588 1.00 0.00 C ATOM 398 C VAL A 28 1.237 14.779 7.483 1.00 0.00 C ATOM 399 O VAL A 28 1.471 14.189 6.448 1.00 0.00 O ATOM 400 CB VAL A 28 -0.732 15.530 8.890 1.00 0.00 C ATOM 401 CG1 VAL A 28 -0.737 14.043 9.268 1.00 0.00 C ATOM 402 CG2 VAL A 28 -0.111 16.350 10.023 1.00 0.00 C ATOM 0 H VAL A 28 -1.587 14.856 6.580 1.00 0.00 H new ATOM 0 HA VAL A 28 0.451 16.775 7.591 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.761 15.851 8.731 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.301 13.904 10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.201 13.466 8.468 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.288 13.701 9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.674 16.186 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.923 16.040 10.172 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.139 17.408 9.764 1.00 0.00 H new ATOM 412 N GLU A 29 1.980 14.607 8.536 1.00 0.00 N ATOM 413 CA GLU A 29 3.134 13.669 8.486 1.00 0.00 C ATOM 414 C GLU A 29 2.674 12.270 8.919 1.00 0.00 C ATOM 415 O GLU A 29 1.786 12.123 9.735 1.00 0.00 O ATOM 416 CB GLU A 29 4.230 14.168 9.427 1.00 0.00 C ATOM 417 CG GLU A 29 5.210 15.045 8.646 1.00 0.00 C ATOM 418 CD GLU A 29 4.447 16.182 7.964 1.00 0.00 C ATOM 419 OE1 GLU A 29 3.951 17.044 8.671 1.00 0.00 O ATOM 420 OE2 GLU A 29 4.371 16.172 6.746 1.00 0.00 O ATOM 0 H GLU A 29 1.839 15.075 9.431 1.00 0.00 H new ATOM 0 HA GLU A 29 3.525 13.619 7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.790 14.736 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.756 13.323 9.871 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.965 15.452 9.318 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.735 14.447 7.901 1.00 0.00 H new ATOM 427 N GLY A 30 3.268 11.244 8.369 1.00 0.00 N ATOM 428 CA GLY A 30 2.866 9.852 8.735 1.00 0.00 C ATOM 429 C GLY A 30 1.753 9.382 7.794 1.00 0.00 C ATOM 430 O GLY A 30 1.442 8.211 7.726 1.00 0.00 O ATOM 0 H GLY A 30 4.017 11.309 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.724 9.183 8.665 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.521 9.821 9.769 1.00 0.00 H new ATOM 434 N VAL A 31 1.164 10.299 7.068 1.00 0.00 N ATOM 435 CA VAL A 31 0.069 9.953 6.107 1.00 0.00 C ATOM 436 C VAL A 31 0.270 8.544 5.543 1.00 0.00 C ATOM 437 O VAL A 31 1.380 8.078 5.378 1.00 0.00 O ATOM 438 CB VAL A 31 0.114 10.947 4.954 1.00 0.00 C ATOM 439 CG1 VAL A 31 -0.853 10.497 3.856 1.00 0.00 C ATOM 440 CG2 VAL A 31 -0.276 12.330 5.475 1.00 0.00 C ATOM 0 H VAL A 31 1.399 11.291 7.101 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.889 9.992 6.626 1.00 0.00 H new ATOM 0 HB VAL A 31 1.120 10.993 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.822 11.208 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.562 9.510 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.865 10.453 4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.247 13.049 4.656 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.284 12.292 5.889 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.424 12.637 6.252 1.00 0.00 H new ATOM 450 N SER A 32 -0.802 7.873 5.235 1.00 0.00 N ATOM 451 CA SER A 32 -0.698 6.501 4.666 1.00 0.00 C ATOM 452 C SER A 32 -2.041 6.143 4.034 1.00 0.00 C ATOM 453 O SER A 32 -2.120 5.732 2.893 1.00 0.00 O ATOM 454 CB SER A 32 -0.367 5.503 5.775 1.00 0.00 C ATOM 455 OG SER A 32 0.587 4.566 5.292 1.00 0.00 O ATOM 0 H SER A 32 -1.754 8.218 5.354 1.00 0.00 H new ATOM 0 HA SER A 32 0.093 6.464 3.917 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.028 6.026 6.645 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.271 4.986 6.097 1.00 0.00 H new ATOM 0 HG SER A 32 0.804 3.925 6.001 1.00 0.00 H new ATOM 461 N LYS A 33 -3.101 6.325 4.770 1.00 0.00 N ATOM 462 CA LYS A 33 -4.457 6.032 4.231 1.00 0.00 C ATOM 463 C LYS A 33 -5.347 7.228 4.543 1.00 0.00 C ATOM 464 O LYS A 33 -5.203 7.859 5.571 1.00 0.00 O ATOM 465 CB LYS A 33 -5.021 4.771 4.890 1.00 0.00 C ATOM 466 CG LYS A 33 -6.048 4.122 3.959 1.00 0.00 C ATOM 467 CD LYS A 33 -5.363 3.047 3.113 1.00 0.00 C ATOM 468 CE LYS A 33 -5.019 1.846 3.995 1.00 0.00 C ATOM 469 NZ LYS A 33 -6.174 0.906 4.025 1.00 0.00 N ATOM 0 H LYS A 33 -3.085 6.667 5.731 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.412 5.861 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.215 4.069 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.487 5.023 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.856 3.680 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.497 4.877 3.313 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.018 2.738 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.458 3.449 2.658 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.134 1.340 3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.781 2.179 5.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.941 0.089 4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.008 1.393 4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.381 0.579 3.060 1.00 0.00 H new ATOM 483 N VAL A 34 -6.242 7.581 3.665 1.00 0.00 N ATOM 484 CA VAL A 34 -7.080 8.772 3.946 1.00 0.00 C ATOM 485 C VAL A 34 -8.539 8.556 3.541 1.00 0.00 C ATOM 486 O VAL A 34 -8.896 8.615 2.381 1.00 0.00 O ATOM 487 CB VAL A 34 -6.513 9.955 3.170 1.00 0.00 C ATOM 488 CG1 VAL A 34 -6.253 9.520 1.732 1.00 0.00 C ATOM 489 CG2 VAL A 34 -7.508 11.119 3.187 1.00 0.00 C ATOM 0 H VAL A 34 -6.426 7.105 2.782 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.061 8.959 5.020 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.583 10.284 3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.847 10.358 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.538 8.697 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.188 9.193 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.094 11.960 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.444 10.804 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.695 11.423 4.217 1.00 0.00 H new ATOM 499 N ASP A 35 -9.388 8.376 4.508 1.00 0.00 N ATOM 500 CA ASP A 35 -10.841 8.234 4.229 1.00 0.00 C ATOM 501 C ASP A 35 -11.539 9.214 5.165 1.00 0.00 C ATOM 502 O ASP A 35 -11.896 8.881 6.273 1.00 0.00 O ATOM 503 CB ASP A 35 -11.300 6.804 4.528 1.00 0.00 C ATOM 504 CG ASP A 35 -11.389 6.012 3.222 1.00 0.00 C ATOM 505 OD1 ASP A 35 -12.275 6.302 2.435 1.00 0.00 O ATOM 506 OD2 ASP A 35 -10.571 5.127 3.032 1.00 0.00 O ATOM 0 H ASP A 35 -9.134 8.320 5.494 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.072 8.439 3.184 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.601 6.322 5.211 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.271 6.819 5.024 1.00 0.00 H new ATOM 511 N VAL A 36 -11.685 10.439 4.745 1.00 0.00 N ATOM 512 CA VAL A 36 -12.295 11.465 5.635 1.00 0.00 C ATOM 513 C VAL A 36 -13.194 12.393 4.832 1.00 0.00 C ATOM 514 O VAL A 36 -13.006 12.576 3.646 1.00 0.00 O ATOM 515 CB VAL A 36 -11.159 12.294 6.223 1.00 0.00 C ATOM 516 CG1 VAL A 36 -11.713 13.391 7.139 1.00 0.00 C ATOM 517 CG2 VAL A 36 -10.204 11.385 6.996 1.00 0.00 C ATOM 0 H VAL A 36 -11.408 10.775 3.823 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.886 10.978 6.410 1.00 0.00 H new ATOM 0 HB VAL A 36 -10.613 12.773 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -10.888 13.973 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -12.369 14.046 6.566 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -12.276 12.935 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.393 11.981 7.415 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -10.745 10.891 7.803 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.791 10.634 6.322 1.00 0.00 H new ATOM 527 N GLY A 37 -14.158 13.005 5.463 1.00 0.00 N ATOM 528 CA GLY A 37 -15.025 13.935 4.702 1.00 0.00 C ATOM 529 C GLY A 37 -15.891 14.784 5.629 1.00 0.00 C ATOM 530 O GLY A 37 -16.118 14.460 6.785 1.00 0.00 O ATOM 0 H GLY A 37 -14.377 12.902 6.454 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -14.407 14.586 4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -15.664 13.367 4.026 1.00 0.00 H new ATOM 534 N PHE A 38 -16.389 15.869 5.097 1.00 0.00 N ATOM 535 CA PHE A 38 -17.265 16.779 5.880 1.00 0.00 C ATOM 536 C PHE A 38 -18.701 16.255 5.830 1.00 0.00 C ATOM 537 O PHE A 38 -19.544 16.642 6.615 1.00 0.00 O ATOM 538 CB PHE A 38 -17.191 18.191 5.266 1.00 0.00 C ATOM 539 CG PHE A 38 -18.169 18.335 4.115 1.00 0.00 C ATOM 540 CD1 PHE A 38 -18.274 17.334 3.140 1.00 0.00 C ATOM 541 CD2 PHE A 38 -18.971 19.480 4.028 1.00 0.00 C ATOM 542 CE1 PHE A 38 -19.179 17.479 2.082 1.00 0.00 C ATOM 543 CE2 PHE A 38 -19.876 19.623 2.969 1.00 0.00 C ATOM 544 CZ PHE A 38 -19.980 18.623 1.996 1.00 0.00 C ATOM 0 H PHE A 38 -16.220 16.165 4.136 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.938 16.821 6.919 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -17.411 18.936 6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -16.178 18.386 4.914 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -17.656 16.450 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -18.891 20.253 4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -19.259 16.707 1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -20.494 20.506 2.903 1.00 0.00 H new ATOM 0 HZ PHE A 38 -20.678 18.734 1.179 1.00 0.00 H new ATOM 554 N GLU A 39 -18.979 15.376 4.910 1.00 0.00 N ATOM 555 CA GLU A 39 -20.353 14.821 4.800 1.00 0.00 C ATOM 556 C GLU A 39 -20.852 14.419 6.187 1.00 0.00 C ATOM 557 O GLU A 39 -22.040 14.366 6.435 1.00 0.00 O ATOM 558 CB GLU A 39 -20.333 13.591 3.890 1.00 0.00 C ATOM 559 CG GLU A 39 -20.577 14.019 2.442 1.00 0.00 C ATOM 560 CD GLU A 39 -20.723 12.777 1.561 1.00 0.00 C ATOM 561 OE1 GLU A 39 -19.705 12.206 1.203 1.00 0.00 O ATOM 562 OE2 GLU A 39 -21.849 12.417 1.259 1.00 0.00 O ATOM 0 H GLU A 39 -18.311 15.017 4.228 1.00 0.00 H new ATOM 0 HA GLU A 39 -21.018 15.575 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -19.373 13.081 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -21.099 12.882 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -21.477 14.631 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.749 14.633 2.089 1.00 0.00 H new ATOM 569 N LYS A 40 -19.957 14.129 7.095 1.00 0.00 N ATOM 570 CA LYS A 40 -20.397 13.722 8.459 1.00 0.00 C ATOM 571 C LYS A 40 -19.212 13.711 9.422 1.00 0.00 C ATOM 572 O LYS A 40 -18.973 12.731 10.098 1.00 0.00 O ATOM 573 CB LYS A 40 -20.961 12.315 8.403 1.00 0.00 C ATOM 574 CG LYS A 40 -22.427 12.356 7.971 1.00 0.00 C ATOM 575 CD LYS A 40 -23.196 11.235 8.671 1.00 0.00 C ATOM 576 CE LYS A 40 -24.586 11.737 9.065 1.00 0.00 C ATOM 577 NZ LYS A 40 -25.623 10.881 8.423 1.00 0.00 N ATOM 0 H LYS A 40 -18.948 14.156 6.951 1.00 0.00 H new ATOM 0 HA LYS A 40 -21.148 14.432 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -20.384 11.711 7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -20.875 11.841 9.380 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -22.864 13.323 8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -22.502 12.243 6.889 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -23.283 10.372 8.011 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -22.653 10.905 9.556 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -24.699 11.713 10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -24.712 12.774 8.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -26.569 11.222 8.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -25.519 10.925 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -25.507 9.898 8.741 1.00 0.00 H new ATOM 591 N ARG A 41 -18.482 14.787 9.493 1.00 0.00 N ATOM 592 CA ARG A 41 -17.308 14.859 10.415 1.00 0.00 C ATOM 593 C ARG A 41 -16.653 13.486 10.588 1.00 0.00 C ATOM 594 O ARG A 41 -16.289 13.106 11.683 1.00 0.00 O ATOM 595 CB ARG A 41 -17.744 15.357 11.798 1.00 0.00 C ATOM 596 CG ARG A 41 -19.186 14.929 12.098 1.00 0.00 C ATOM 597 CD ARG A 41 -19.212 13.466 12.546 1.00 0.00 C ATOM 598 NE ARG A 41 -19.601 13.399 13.982 1.00 0.00 N ATOM 599 CZ ARG A 41 -19.964 12.262 14.513 1.00 0.00 C ATOM 600 NH1 ARG A 41 -19.985 11.175 13.789 1.00 0.00 N ATOM 601 NH2 ARG A 41 -20.307 12.212 15.771 1.00 0.00 N ATOM 0 H ARG A 41 -18.648 15.632 8.946 1.00 0.00 H new ATOM 0 HA ARG A 41 -16.592 15.551 9.971 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.075 14.959 12.561 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.665 16.443 11.840 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -19.609 15.564 12.876 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -19.805 15.058 11.210 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -19.919 12.900 11.939 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.232 13.012 12.401 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.584 14.244 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.717 11.212 12.805 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.269 10.289 14.207 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.291 13.060 16.338 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -20.591 11.325 16.187 1.00 0.00 H new ATOM 615 N GLU A 42 -16.490 12.735 9.538 1.00 0.00 N ATOM 616 CA GLU A 42 -15.851 11.397 9.701 1.00 0.00 C ATOM 617 C GLU A 42 -14.454 11.441 9.087 1.00 0.00 C ATOM 618 O GLU A 42 -14.285 11.829 7.948 1.00 0.00 O ATOM 619 CB GLU A 42 -16.706 10.326 9.011 1.00 0.00 C ATOM 620 CG GLU A 42 -16.423 10.322 7.508 1.00 0.00 C ATOM 621 CD GLU A 42 -17.492 9.500 6.784 1.00 0.00 C ATOM 622 OE1 GLU A 42 -17.985 8.554 7.376 1.00 0.00 O ATOM 623 OE2 GLU A 42 -17.798 9.831 5.650 1.00 0.00 O ATOM 0 H GLU A 42 -16.765 12.981 8.587 1.00 0.00 H new ATOM 0 HA GLU A 42 -15.773 11.146 10.759 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -16.487 9.345 9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -17.763 10.521 9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.416 11.343 7.127 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.436 9.903 7.315 1.00 0.00 H new ATOM 630 N ALA A 43 -13.443 11.068 9.825 1.00 0.00 N ATOM 631 CA ALA A 43 -12.084 11.125 9.256 1.00 0.00 C ATOM 632 C ALA A 43 -11.340 9.815 9.498 1.00 0.00 C ATOM 633 O ALA A 43 -10.606 9.677 10.445 1.00 0.00 O ATOM 634 CB ALA A 43 -11.324 12.268 9.929 1.00 0.00 C ATOM 0 H ALA A 43 -13.506 10.731 10.786 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.153 11.288 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.315 12.325 9.520 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.844 13.208 9.745 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.270 12.087 11.002 1.00 0.00 H new ATOM 640 N VAL A 44 -11.484 8.872 8.619 1.00 0.00 N ATOM 641 CA VAL A 44 -10.742 7.593 8.775 1.00 0.00 C ATOM 642 C VAL A 44 -9.414 7.762 8.045 1.00 0.00 C ATOM 643 O VAL A 44 -9.384 8.210 6.918 1.00 0.00 O ATOM 644 CB VAL A 44 -11.543 6.451 8.147 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.198 5.138 8.852 1.00 0.00 C ATOM 646 CG2 VAL A 44 -13.039 6.734 8.299 1.00 0.00 C ATOM 0 H VAL A 44 -12.084 8.929 7.796 1.00 0.00 H new ATOM 0 HA VAL A 44 -10.582 7.356 9.827 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.294 6.371 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.769 4.324 8.405 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -10.132 4.936 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.447 5.217 9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.610 5.921 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.289 6.814 9.357 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.285 7.669 7.797 1.00 0.00 H new ATOM 656 N VAL A 45 -8.311 7.446 8.663 1.00 0.00 N ATOM 657 CA VAL A 45 -7.019 7.649 7.958 1.00 0.00 C ATOM 658 C VAL A 45 -5.953 6.767 8.568 1.00 0.00 C ATOM 659 O VAL A 45 -6.185 6.038 9.511 1.00 0.00 O ATOM 660 CB VAL A 45 -6.593 9.112 8.102 1.00 0.00 C ATOM 661 CG1 VAL A 45 -7.645 10.019 7.468 1.00 0.00 C ATOM 662 CG2 VAL A 45 -6.457 9.458 9.586 1.00 0.00 C ATOM 0 H VAL A 45 -8.248 7.064 9.607 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.142 7.394 6.906 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.637 9.260 7.600 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.339 11.060 7.572 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.746 9.775 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.602 9.871 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.154 10.500 9.690 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.415 9.307 10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.706 8.814 10.042 1.00 0.00 H new ATOM 672 N THR A 46 -4.777 6.840 8.034 1.00 0.00 N ATOM 673 CA THR A 46 -3.680 6.022 8.573 1.00 0.00 C ATOM 674 C THR A 46 -2.398 6.829 8.540 1.00 0.00 C ATOM 675 O THR A 46 -1.663 6.814 7.573 1.00 0.00 O ATOM 676 CB THR A 46 -3.518 4.761 7.731 1.00 0.00 C ATOM 677 OG1 THR A 46 -4.696 3.977 7.830 1.00 0.00 O ATOM 678 CG2 THR A 46 -2.314 3.964 8.230 1.00 0.00 C ATOM 0 H THR A 46 -4.530 7.435 7.243 1.00 0.00 H new ATOM 0 HA THR A 46 -3.906 5.736 9.600 1.00 0.00 H new ATOM 0 HB THR A 46 -3.355 5.033 6.688 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.470 3.090 8.179 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.199 3.063 7.628 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.414 4.574 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.468 3.686 9.273 1.00 0.00 H new ATOM 686 N PHE A 47 -2.111 7.516 9.602 1.00 0.00 N ATOM 687 CA PHE A 47 -0.861 8.298 9.643 1.00 0.00 C ATOM 688 C PHE A 47 0.132 7.480 10.451 1.00 0.00 C ATOM 689 O PHE A 47 -0.095 7.166 11.603 1.00 0.00 O ATOM 690 CB PHE A 47 -1.111 9.672 10.282 1.00 0.00 C ATOM 691 CG PHE A 47 -0.898 9.597 11.772 1.00 0.00 C ATOM 692 CD1 PHE A 47 0.399 9.666 12.282 1.00 0.00 C ATOM 693 CD2 PHE A 47 -1.988 9.443 12.635 1.00 0.00 C ATOM 694 CE1 PHE A 47 0.613 9.583 13.656 1.00 0.00 C ATOM 695 CE2 PHE A 47 -1.776 9.357 14.014 1.00 0.00 C ATOM 696 CZ PHE A 47 -0.475 9.426 14.525 1.00 0.00 C ATOM 0 H PHE A 47 -2.689 7.568 10.441 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.473 8.487 8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -0.438 10.412 9.847 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.128 10.001 10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.237 9.784 11.611 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -2.991 9.391 12.237 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.617 9.640 14.051 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.615 9.238 14.684 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.309 9.358 15.590 1.00 0.00 H new ATOM 706 N ASP A 48 1.203 7.094 9.852 1.00 0.00 N ATOM 707 CA ASP A 48 2.178 6.251 10.589 1.00 0.00 C ATOM 708 C ASP A 48 3.315 7.118 11.136 1.00 0.00 C ATOM 709 O ASP A 48 3.406 8.292 10.841 1.00 0.00 O ATOM 710 CB ASP A 48 2.674 5.141 9.645 1.00 0.00 C ATOM 711 CG ASP A 48 4.105 5.399 9.156 1.00 0.00 C ATOM 712 OD1 ASP A 48 4.999 5.448 9.983 1.00 0.00 O ATOM 713 OD2 ASP A 48 4.281 5.528 7.956 1.00 0.00 O ATOM 0 H ASP A 48 1.453 7.319 8.889 1.00 0.00 H new ATOM 0 HA ASP A 48 1.710 5.777 11.452 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.635 4.182 10.161 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.005 5.069 8.787 1.00 0.00 H new ATOM 718 N ASP A 49 4.177 6.559 11.943 1.00 0.00 N ATOM 719 CA ASP A 49 5.296 7.359 12.519 1.00 0.00 C ATOM 720 C ASP A 49 6.275 7.743 11.414 1.00 0.00 C ATOM 721 O ASP A 49 7.464 7.509 11.509 1.00 0.00 O ATOM 722 CB ASP A 49 6.021 6.536 13.589 1.00 0.00 C ATOM 723 CG ASP A 49 6.881 5.461 12.922 1.00 0.00 C ATOM 724 OD1 ASP A 49 6.624 5.155 11.769 1.00 0.00 O ATOM 725 OD2 ASP A 49 7.783 4.962 13.575 1.00 0.00 O ATOM 0 H ASP A 49 4.154 5.580 12.229 1.00 0.00 H new ATOM 0 HA ASP A 49 4.894 8.265 12.973 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.646 7.187 14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.296 6.072 14.257 1.00 0.00 H new ATOM 730 N THR A 50 5.787 8.339 10.367 1.00 0.00 N ATOM 731 CA THR A 50 6.689 8.744 9.259 1.00 0.00 C ATOM 732 C THR A 50 7.273 10.122 9.565 1.00 0.00 C ATOM 733 O THR A 50 8.241 10.542 8.962 1.00 0.00 O ATOM 734 CB THR A 50 5.906 8.807 7.946 1.00 0.00 C ATOM 735 OG1 THR A 50 4.995 7.721 7.888 1.00 0.00 O ATOM 736 CG2 THR A 50 6.875 8.726 6.766 1.00 0.00 C ATOM 0 H THR A 50 4.801 8.564 10.230 1.00 0.00 H new ATOM 0 HA THR A 50 7.492 8.013 9.163 1.00 0.00 H new ATOM 0 HB THR A 50 5.356 9.747 7.896 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.489 6.886 7.749 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.315 8.771 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.574 9.561 6.811 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.428 7.788 6.813 1.00 0.00 H new ATOM 744 N LYS A 51 6.688 10.841 10.488 1.00 0.00 N ATOM 745 CA LYS A 51 7.222 12.197 10.801 1.00 0.00 C ATOM 746 C LYS A 51 6.224 13.007 11.633 1.00 0.00 C ATOM 747 O LYS A 51 6.177 14.218 11.544 1.00 0.00 O ATOM 748 CB LYS A 51 7.440 12.927 9.492 1.00 0.00 C ATOM 749 CG LYS A 51 8.937 13.011 9.185 1.00 0.00 C ATOM 750 CD LYS A 51 9.422 14.445 9.405 1.00 0.00 C ATOM 751 CE LYS A 51 10.722 14.669 8.632 1.00 0.00 C ATOM 752 NZ LYS A 51 10.722 16.040 8.048 1.00 0.00 N ATOM 0 H LYS A 51 5.875 10.552 11.031 1.00 0.00 H new ATOM 0 HA LYS A 51 8.147 12.089 11.368 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.923 12.407 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.015 13.929 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.490 12.326 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.126 12.705 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.662 15.152 9.072 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.583 14.627 10.468 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.578 14.544 9.295 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.820 13.925 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.606 16.193 7.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.913 16.142 7.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.647 16.742 8.811 1.00 0.00 H new ATOM 766 N ALA A 52 5.426 12.368 12.430 1.00 0.00 N ATOM 767 CA ALA A 52 4.441 13.127 13.245 1.00 0.00 C ATOM 768 C ALA A 52 3.704 12.177 14.185 1.00 0.00 C ATOM 769 O ALA A 52 4.078 11.033 14.353 1.00 0.00 O ATOM 770 CB ALA A 52 3.432 13.803 12.315 1.00 0.00 C ATOM 0 H ALA A 52 5.410 11.356 12.555 1.00 0.00 H new ATOM 0 HA ALA A 52 4.964 13.880 13.834 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.707 14.361 12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.955 14.486 11.645 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.913 13.045 11.728 1.00 0.00 H new ATOM 776 N SER A 53 2.657 12.647 14.801 1.00 0.00 N ATOM 777 CA SER A 53 1.888 11.786 15.732 1.00 0.00 C ATOM 778 C SER A 53 0.400 12.122 15.604 1.00 0.00 C ATOM 779 O SER A 53 0.021 13.012 14.868 1.00 0.00 O ATOM 780 CB SER A 53 2.368 12.043 17.157 1.00 0.00 C ATOM 781 OG SER A 53 1.248 12.120 18.029 1.00 0.00 O ATOM 0 H SER A 53 2.301 13.597 14.697 1.00 0.00 H new ATOM 0 HA SER A 53 2.039 10.734 15.490 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.036 11.244 17.476 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.938 12.971 17.198 1.00 0.00 H new ATOM 0 HG SER A 53 1.557 12.283 18.945 1.00 0.00 H new ATOM 787 N VAL A 54 -0.449 11.417 16.298 1.00 0.00 N ATOM 788 CA VAL A 54 -1.908 11.701 16.190 1.00 0.00 C ATOM 789 C VAL A 54 -2.206 13.089 16.755 1.00 0.00 C ATOM 790 O VAL A 54 -2.907 13.876 16.151 1.00 0.00 O ATOM 791 CB VAL A 54 -2.698 10.626 16.954 1.00 0.00 C ATOM 792 CG1 VAL A 54 -2.806 10.981 18.441 1.00 0.00 C ATOM 793 CG2 VAL A 54 -4.102 10.509 16.357 1.00 0.00 C ATOM 0 H VAL A 54 -0.198 10.659 16.933 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.209 11.680 15.143 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.171 9.676 16.862 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.369 10.206 18.960 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.807 11.054 18.871 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.319 11.937 18.551 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.665 9.747 16.897 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.615 11.467 16.442 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.028 10.229 15.306 1.00 0.00 H new ATOM 803 N GLN A 55 -1.675 13.399 17.902 1.00 0.00 N ATOM 804 CA GLN A 55 -1.926 14.743 18.492 1.00 0.00 C ATOM 805 C GLN A 55 -1.089 15.774 17.739 1.00 0.00 C ATOM 806 O GLN A 55 -1.398 16.948 17.724 1.00 0.00 O ATOM 807 CB GLN A 55 -1.532 14.739 19.970 1.00 0.00 C ATOM 808 CG GLN A 55 -2.503 15.620 20.759 1.00 0.00 C ATOM 809 CD GLN A 55 -1.859 16.032 22.084 1.00 0.00 C ATOM 810 OE1 GLN A 55 -1.148 15.258 22.694 1.00 0.00 O ATOM 811 NE2 GLN A 55 -2.079 17.227 22.558 1.00 0.00 N ATOM 0 H GLN A 55 -1.080 12.783 18.456 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.984 14.992 18.409 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.549 13.721 20.359 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.513 15.108 20.087 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.762 16.505 20.178 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.431 15.079 20.946 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.676 17.877 22.046 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.654 17.512 23.441 1.00 0.00 H new ATOM 820 N LYS A 56 -0.034 15.340 17.106 1.00 0.00 N ATOM 821 CA LYS A 56 0.819 16.291 16.345 1.00 0.00 C ATOM 822 C LYS A 56 0.132 16.626 15.020 1.00 0.00 C ATOM 823 O LYS A 56 -0.050 17.779 14.681 1.00 0.00 O ATOM 824 CB LYS A 56 2.184 15.656 16.073 1.00 0.00 C ATOM 825 CG LYS A 56 3.275 16.476 16.764 1.00 0.00 C ATOM 826 CD LYS A 56 4.334 16.885 15.738 1.00 0.00 C ATOM 827 CE LYS A 56 4.743 18.339 15.978 1.00 0.00 C ATOM 828 NZ LYS A 56 6.230 18.440 15.991 1.00 0.00 N ATOM 0 H LYS A 56 0.273 14.368 17.084 1.00 0.00 H new ATOM 0 HA LYS A 56 0.961 17.202 16.926 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.199 14.629 16.439 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.370 15.614 15.000 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.840 17.362 17.227 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.733 15.892 17.562 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.204 16.233 15.818 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.941 16.769 14.728 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.331 18.978 15.197 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.335 18.691 16.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.509 19.428 16.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.612 17.842 16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.608 18.120 15.076 1.00 0.00 H new ATOM 842 N LEU A 57 -0.261 15.630 14.269 1.00 0.00 N ATOM 843 CA LEU A 57 -0.942 15.914 12.976 1.00 0.00 C ATOM 844 C LEU A 57 -2.214 16.717 13.249 1.00 0.00 C ATOM 845 O LEU A 57 -2.443 17.754 12.659 1.00 0.00 O ATOM 846 CB LEU A 57 -1.296 14.602 12.262 1.00 0.00 C ATOM 847 CG LEU A 57 -2.123 13.696 13.176 1.00 0.00 C ATOM 848 CD1 LEU A 57 -3.613 13.967 12.954 1.00 0.00 C ATOM 849 CD2 LEU A 57 -1.828 12.235 12.836 1.00 0.00 C ATOM 0 H LEU A 57 -0.140 14.642 14.494 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.274 16.488 12.334 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.856 14.817 11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.383 14.088 11.961 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.865 13.897 14.216 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.201 13.321 13.606 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.831 15.010 13.184 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.869 13.763 11.914 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.415 11.585 13.485 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.091 12.043 11.796 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.767 12.034 12.985 1.00 0.00 H new ATOM 861 N THR A 58 -3.038 16.252 14.147 1.00 0.00 N ATOM 862 CA THR A 58 -4.290 16.993 14.464 1.00 0.00 C ATOM 863 C THR A 58 -3.938 18.423 14.864 1.00 0.00 C ATOM 864 O THR A 58 -4.542 19.373 14.408 1.00 0.00 O ATOM 865 CB THR A 58 -5.015 16.314 15.628 1.00 0.00 C ATOM 866 OG1 THR A 58 -4.060 15.853 16.574 1.00 0.00 O ATOM 867 CG2 THR A 58 -5.833 15.132 15.105 1.00 0.00 C ATOM 0 H THR A 58 -2.898 15.391 14.675 1.00 0.00 H new ATOM 0 HA THR A 58 -4.937 16.998 13.587 1.00 0.00 H new ATOM 0 HB THR A 58 -5.684 17.029 16.106 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.828 14.921 16.378 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.348 14.650 15.936 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.566 15.489 14.381 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.168 14.414 14.625 1.00 0.00 H new ATOM 875 N LYS A 59 -2.964 18.587 15.714 1.00 0.00 N ATOM 876 CA LYS A 59 -2.584 19.960 16.135 1.00 0.00 C ATOM 877 C LYS A 59 -2.504 20.851 14.895 1.00 0.00 C ATOM 878 O LYS A 59 -3.103 21.907 14.836 1.00 0.00 O ATOM 879 CB LYS A 59 -1.223 19.929 16.836 1.00 0.00 C ATOM 880 CG LYS A 59 -1.140 21.079 17.840 1.00 0.00 C ATOM 881 CD LYS A 59 -1.116 22.412 17.089 1.00 0.00 C ATOM 882 CE LYS A 59 -0.277 23.424 17.870 1.00 0.00 C ATOM 883 NZ LYS A 59 -0.248 24.718 17.133 1.00 0.00 N ATOM 0 H LYS A 59 -2.418 17.834 16.132 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.329 20.353 16.827 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.087 18.976 17.347 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.422 20.015 16.102 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.993 21.047 18.517 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.243 20.978 18.452 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.700 22.272 16.091 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.131 22.787 16.961 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.697 23.569 18.865 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.737 23.046 18.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.393 25.502 17.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.673 24.829 16.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.004 24.728 16.419 1.00 0.00 H new ATOM 897 N ALA A 60 -1.780 20.425 13.895 1.00 0.00 N ATOM 898 CA ALA A 60 -1.677 21.240 12.654 1.00 0.00 C ATOM 899 C ALA A 60 -3.071 21.382 12.043 1.00 0.00 C ATOM 900 O ALA A 60 -3.450 22.433 11.565 1.00 0.00 O ATOM 901 CB ALA A 60 -0.748 20.543 11.657 1.00 0.00 C ATOM 0 H ALA A 60 -1.257 19.549 13.885 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.272 22.224 12.889 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.674 21.141 10.749 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.242 20.431 12.099 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.149 19.560 11.412 1.00 0.00 H new ATOM 907 N THR A 61 -3.844 20.329 12.069 1.00 0.00 N ATOM 908 CA THR A 61 -5.220 20.397 11.504 1.00 0.00 C ATOM 909 C THR A 61 -6.035 21.413 12.306 1.00 0.00 C ATOM 910 O THR A 61 -6.791 22.190 11.756 1.00 0.00 O ATOM 911 CB THR A 61 -5.875 19.014 11.591 1.00 0.00 C ATOM 912 OG1 THR A 61 -6.203 18.725 12.942 1.00 0.00 O ATOM 913 CG2 THR A 61 -4.903 17.956 11.068 1.00 0.00 C ATOM 0 H THR A 61 -3.580 19.424 12.458 1.00 0.00 H new ATOM 0 HA THR A 61 -5.181 20.706 10.459 1.00 0.00 H new ATOM 0 HB THR A 61 -6.783 19.007 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 61 -5.571 19.181 13.537 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.368 16.972 11.130 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.652 18.174 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.995 17.966 11.671 1.00 0.00 H new ATOM 921 N ALA A 62 -5.883 21.421 13.603 1.00 0.00 N ATOM 922 CA ALA A 62 -6.645 22.394 14.437 1.00 0.00 C ATOM 923 C ALA A 62 -6.110 23.808 14.199 1.00 0.00 C ATOM 924 O ALA A 62 -6.752 24.787 14.524 1.00 0.00 O ATOM 925 CB ALA A 62 -6.480 22.035 15.916 1.00 0.00 C ATOM 0 H ALA A 62 -5.265 20.796 14.120 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.699 22.354 14.163 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.037 22.746 16.527 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.861 21.029 16.091 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.424 22.074 16.184 1.00 0.00 H new ATOM 931 N ASP A 63 -4.936 23.926 13.640 1.00 0.00 N ATOM 932 CA ASP A 63 -4.364 25.280 13.390 1.00 0.00 C ATOM 933 C ASP A 63 -4.849 25.808 12.038 1.00 0.00 C ATOM 934 O ASP A 63 -4.490 26.892 11.621 1.00 0.00 O ATOM 935 CB ASP A 63 -2.837 25.194 13.383 1.00 0.00 C ATOM 936 CG ASP A 63 -2.257 26.350 14.200 1.00 0.00 C ATOM 937 OD1 ASP A 63 -2.509 27.488 13.841 1.00 0.00 O ATOM 938 OD2 ASP A 63 -1.571 26.078 15.172 1.00 0.00 O ATOM 0 H ASP A 63 -4.349 23.145 13.346 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.690 25.958 14.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.514 24.241 13.802 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.465 25.235 12.359 1.00 0.00 H new ATOM 943 N ALA A 64 -5.659 25.055 11.346 1.00 0.00 N ATOM 944 CA ALA A 64 -6.159 25.523 10.022 1.00 0.00 C ATOM 945 C ALA A 64 -7.671 25.751 10.092 1.00 0.00 C ATOM 946 O ALA A 64 -8.312 26.024 9.097 1.00 0.00 O ATOM 947 CB ALA A 64 -5.854 24.464 8.960 1.00 0.00 C ATOM 0 H ALA A 64 -5.996 24.138 11.639 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.664 26.458 9.760 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.219 24.805 7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.777 24.303 8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.348 23.529 9.226 1.00 0.00 H new ATOM 953 N GLY A 65 -8.246 25.637 11.257 1.00 0.00 N ATOM 954 CA GLY A 65 -9.717 25.842 11.384 1.00 0.00 C ATOM 955 C GLY A 65 -10.405 24.479 11.423 1.00 0.00 C ATOM 956 O GLY A 65 -11.392 24.286 12.105 1.00 0.00 O ATOM 0 H GLY A 65 -7.762 25.411 12.126 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.942 26.404 12.290 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.090 26.428 10.544 1.00 0.00 H new ATOM 960 N TYR A 66 -9.877 23.530 10.702 1.00 0.00 N ATOM 961 CA TYR A 66 -10.481 22.167 10.696 1.00 0.00 C ATOM 962 C TYR A 66 -9.483 21.194 11.323 1.00 0.00 C ATOM 963 O TYR A 66 -8.453 20.911 10.744 1.00 0.00 O ATOM 964 CB TYR A 66 -10.794 21.718 9.260 1.00 0.00 C ATOM 965 CG TYR A 66 -10.547 22.850 8.287 1.00 0.00 C ATOM 966 CD1 TYR A 66 -9.248 23.115 7.836 1.00 0.00 C ATOM 967 CD2 TYR A 66 -11.616 23.633 7.838 1.00 0.00 C ATOM 968 CE1 TYR A 66 -9.019 24.163 6.936 1.00 0.00 C ATOM 969 CE2 TYR A 66 -11.388 24.682 6.938 1.00 0.00 C ATOM 970 CZ TYR A 66 -10.089 24.947 6.487 1.00 0.00 C ATOM 971 OH TYR A 66 -9.864 25.980 5.601 1.00 0.00 O ATOM 0 H TYR A 66 -9.050 23.639 10.114 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.412 22.183 11.263 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -10.173 20.862 8.997 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -11.832 21.392 9.192 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.423 22.511 8.182 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.618 23.428 8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.017 24.367 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -12.214 25.286 6.592 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.713 26.422 5.391 1.00 0.00 H new ATOM 981 N PRO A 67 -9.811 20.719 12.495 1.00 0.00 N ATOM 982 CA PRO A 67 -8.874 19.783 13.154 1.00 0.00 C ATOM 983 C PRO A 67 -9.335 18.334 13.011 1.00 0.00 C ATOM 984 O PRO A 67 -10.081 17.991 12.119 1.00 0.00 O ATOM 985 CB PRO A 67 -8.860 20.177 14.625 1.00 0.00 C ATOM 986 CG PRO A 67 -9.809 21.379 14.803 1.00 0.00 C ATOM 987 CD PRO A 67 -10.402 21.705 13.428 1.00 0.00 C ATOM 0 HA PRO A 67 -7.886 19.844 12.698 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.182 19.342 15.247 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.850 20.438 14.940 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.599 21.141 15.515 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.269 22.238 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.489 21.628 13.442 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.158 22.724 13.128 1.00 0.00 H new ATOM 995 N SER A 68 -8.882 17.480 13.894 1.00 0.00 N ATOM 996 CA SER A 68 -9.276 16.046 13.822 1.00 0.00 C ATOM 997 C SER A 68 -9.127 15.385 15.194 1.00 0.00 C ATOM 998 O SER A 68 -8.652 15.980 16.140 1.00 0.00 O ATOM 999 CB SER A 68 -8.387 15.324 12.810 1.00 0.00 C ATOM 1000 OG SER A 68 -9.201 14.548 11.941 1.00 0.00 O ATOM 0 H SER A 68 -8.255 17.718 14.662 1.00 0.00 H new ATOM 0 HA SER A 68 -10.318 15.981 13.510 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.808 16.047 12.236 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.673 14.683 13.327 1.00 0.00 H new ATOM 0 HG SER A 68 -9.316 13.650 12.316 1.00 0.00 H new ATOM 1006 N SER A 69 -9.536 14.149 15.300 1.00 0.00 N ATOM 1007 CA SER A 69 -9.431 13.422 16.597 1.00 0.00 C ATOM 1008 C SER A 69 -9.292 11.919 16.324 1.00 0.00 C ATOM 1009 O SER A 69 -9.414 11.474 15.202 1.00 0.00 O ATOM 1010 CB SER A 69 -10.689 13.675 17.428 1.00 0.00 C ATOM 1011 OG SER A 69 -10.815 15.069 17.677 1.00 0.00 O ATOM 0 H SER A 69 -9.942 13.608 14.536 1.00 0.00 H new ATOM 0 HA SER A 69 -8.558 13.777 17.145 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.568 13.307 16.899 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.632 13.129 18.370 1.00 0.00 H new ATOM 0 HG SER A 69 -11.622 15.235 18.208 1.00 0.00 H new ATOM 1017 N VAL A 70 -9.036 11.133 17.340 1.00 0.00 N ATOM 1018 CA VAL A 70 -8.882 9.661 17.132 1.00 0.00 C ATOM 1019 C VAL A 70 -10.256 8.983 17.135 1.00 0.00 C ATOM 1020 O VAL A 70 -11.180 9.439 17.779 1.00 0.00 O ATOM 1021 CB VAL A 70 -8.027 9.082 18.262 1.00 0.00 C ATOM 1022 CG1 VAL A 70 -6.803 9.974 18.481 1.00 0.00 C ATOM 1023 CG2 VAL A 70 -8.848 9.022 19.553 1.00 0.00 C ATOM 0 H VAL A 70 -8.927 11.447 18.304 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.400 9.482 16.171 1.00 0.00 H new ATOM 0 HB VAL A 70 -7.705 8.076 17.991 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -6.193 9.563 19.285 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.215 10.016 17.564 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.129 10.979 18.749 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.236 8.609 20.355 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.173 10.026 19.825 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -9.721 8.388 19.400 1.00 0.00 H new ATOM 1033 N LYS A 71 -10.402 7.893 16.421 1.00 0.00 N ATOM 1034 CA LYS A 71 -11.718 7.199 16.393 1.00 0.00 C ATOM 1035 C LYS A 71 -11.489 5.690 16.284 1.00 0.00 C ATOM 1036 O LYS A 71 -10.895 5.207 15.339 1.00 0.00 O ATOM 1037 CB LYS A 71 -12.524 7.689 15.189 1.00 0.00 C ATOM 1038 CG LYS A 71 -13.937 8.064 15.637 1.00 0.00 C ATOM 1039 CD LYS A 71 -14.743 6.792 15.905 1.00 0.00 C ATOM 1040 CE LYS A 71 -16.195 7.008 15.474 1.00 0.00 C ATOM 1041 NZ LYS A 71 -16.517 6.097 14.338 1.00 0.00 N ATOM 0 H LYS A 71 -9.668 7.459 15.861 1.00 0.00 H new ATOM 0 HA LYS A 71 -12.270 7.416 17.307 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.034 8.551 14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -12.568 6.911 14.427 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.894 8.676 16.538 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.427 8.662 14.869 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.311 5.953 15.359 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.701 6.538 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.866 6.815 16.311 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.347 8.046 15.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.504 6.243 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.884 6.302 13.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.388 5.109 14.638 1.00 0.00 H new ATOM 1055 N GLN A 72 -11.950 4.941 17.248 1.00 0.00 N ATOM 1056 CA GLN A 72 -11.756 3.465 17.202 1.00 0.00 C ATOM 1057 C GLN A 72 -10.259 3.146 17.181 1.00 0.00 C ATOM 1058 O GLN A 72 -9.476 4.077 17.087 1.00 0.00 O ATOM 1059 CB GLN A 72 -12.416 2.903 15.941 1.00 0.00 C ATOM 1060 CG GLN A 72 -13.929 3.110 16.023 1.00 0.00 C ATOM 1061 CD GLN A 72 -14.630 1.750 16.043 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -14.671 1.090 17.062 1.00 0.00 O ATOM 1063 NE2 GLN A 72 -15.186 1.302 14.952 1.00 0.00 N ATOM 1064 OXT GLN A 72 -9.922 1.976 17.260 1.00 0.00 O ATOM 0 H GLN A 72 -12.452 5.288 18.065 1.00 0.00 H new ATOM 0 HA GLN A 72 -12.211 3.012 18.083 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -12.017 3.400 15.057 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -12.188 1.842 15.840 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -14.181 3.674 16.921 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -14.273 3.696 15.171 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -15.151 1.857 14.097 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -15.656 0.397 14.954 1.00 0.00 H new