USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 647 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 12 GLN : amide:sc= 0.104 X(o=-0.0041,f=-0.32) USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= -0.191 USER MOD Set 1.3: A 77 THR OG1 : rot 150:sc= 0.0836 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -105:sc= 0.575 (180deg=-0.00221) USER MOD Single : A 5 MET CE :methyl -119:sc= -8.17! (180deg=-17.9!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 37:sc= 0.138 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 18 THR OG1 : rot -11:sc= 0.633 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -120:sc= -1.67 USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 0.0191 (180deg=0.00255) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= -0.0684 (180deg=-0.476) USER MOD Single : A 34 THR OG1 : rot -26:sc= 0.659 USER MOD Single : A 36 THR OG1 : rot -67:sc= -0.489 USER MOD Single : A 43 GLN : amide:sc= -2.01! C(o=-2!,f=-9!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.728 K(o=-0.73,f=-7.3!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -82:sc= -0.304 USER MOD Single : A 71 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0769) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 164:sc= -3.67 (180deg=-4.54) USER MOD Single : A 75 MET CE :methyl -113:sc= -0.517 (180deg=-3.36!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.195 -0.166 -0.854 1.00 0.00 N ATOM 2 CA MET A 1 1.189 -0.710 -1.772 1.00 0.00 C ATOM 3 C MET A 1 2.600 -0.498 -1.234 1.00 0.00 C ATOM 4 O MET A 1 2.901 0.543 -0.649 1.00 0.00 O ATOM 5 CB MET A 1 1.053 -0.059 -3.150 1.00 0.00 C ATOM 6 CG MET A 1 -0.285 -0.327 -3.819 1.00 0.00 C ATOM 7 SD MET A 1 -1.495 0.970 -3.497 1.00 0.00 S ATOM 8 CE MET A 1 -1.943 1.438 -5.167 1.00 0.00 C ATOM 0 H1 MET A 1 -0.272 -0.945 -0.346 1.00 0.00 H new ATOM 0 H2 MET A 1 0.662 0.463 -0.170 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.515 0.372 -1.390 1.00 0.00 H new ATOM 0 HA MET A 1 1.012 -1.781 -1.865 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.190 1.018 -3.049 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.852 -0.423 -3.795 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.137 -0.421 -4.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.678 -1.281 -3.467 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.687 2.234 -5.135 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.057 1.790 -5.696 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.358 0.575 -5.688 1.00 0.00 H new ATOM 18 N ALA A 2 3.461 -1.490 -1.434 1.00 0.00 N ATOM 19 CA ALA A 2 4.840 -1.411 -0.970 1.00 0.00 C ATOM 20 C ALA A 2 5.694 -0.585 -1.926 1.00 0.00 C ATOM 21 O ALA A 2 5.263 -0.253 -3.031 1.00 0.00 O ATOM 22 CB ALA A 2 5.424 -2.806 -0.809 1.00 0.00 C ATOM 0 H ALA A 2 3.227 -2.359 -1.915 1.00 0.00 H new ATOM 0 HA ALA A 2 4.843 -0.914 0.000 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.455 -2.731 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.836 -3.365 -0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.401 -3.323 -1.768 1.00 0.00 H new ATOM 28 N LEU A 3 6.907 -0.256 -1.495 1.00 0.00 N ATOM 29 CA LEU A 3 7.822 0.532 -2.313 1.00 0.00 C ATOM 30 C LEU A 3 9.186 -0.144 -2.409 1.00 0.00 C ATOM 31 O LEU A 3 9.663 -0.773 -1.463 1.00 0.00 O ATOM 32 CB LEU A 3 7.977 1.938 -1.731 1.00 0.00 C ATOM 33 CG LEU A 3 6.682 2.641 -1.322 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.300 2.270 0.103 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.827 4.149 -1.462 1.00 0.00 C ATOM 0 H LEU A 3 7.280 -0.523 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 3 7.402 0.605 -3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.626 1.879 -0.857 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.488 2.560 -2.466 1.00 0.00 H new ATOM 0 HG LEU A 3 5.885 2.309 -1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.376 2.780 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.154 1.192 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.096 2.572 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.896 4.633 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.637 4.498 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.052 4.398 -2.499 1.00 0.00 H new ATOM 47 N PRO A 4 9.833 -0.011 -3.577 1.00 0.00 N ATOM 48 CA PRO A 4 11.152 -0.599 -3.823 1.00 0.00 C ATOM 49 C PRO A 4 12.253 0.090 -3.023 1.00 0.00 C ATOM 50 O PRO A 4 12.980 0.932 -3.549 1.00 0.00 O ATOM 51 CB PRO A 4 11.364 -0.380 -5.323 1.00 0.00 C ATOM 52 CG PRO A 4 10.519 0.801 -5.656 1.00 0.00 C ATOM 53 CD PRO A 4 9.325 0.725 -4.747 1.00 0.00 C ATOM 0 HA PRO A 4 11.194 -1.645 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.413 -0.193 -5.551 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.064 -1.256 -5.897 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.068 1.730 -5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.215 0.781 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.965 1.717 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.493 0.203 -5.220 1.00 0.00 H new ATOM 61 N MET A 5 12.368 -0.272 -1.750 1.00 0.00 N ATOM 62 CA MET A 5 13.382 0.311 -0.879 1.00 0.00 C ATOM 63 C MET A 5 14.243 -0.775 -0.242 1.00 0.00 C ATOM 64 O MET A 5 13.914 -1.960 -0.312 1.00 0.00 O ATOM 65 CB MET A 5 12.722 1.159 0.211 1.00 0.00 C ATOM 66 CG MET A 5 11.433 1.828 -0.237 1.00 0.00 C ATOM 67 SD MET A 5 10.706 2.865 1.046 1.00 0.00 S ATOM 68 CE MET A 5 9.737 4.000 0.056 1.00 0.00 C ATOM 0 H MET A 5 11.772 -0.966 -1.298 1.00 0.00 H new ATOM 0 HA MET A 5 14.024 0.948 -1.487 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.513 0.527 1.074 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.424 1.925 0.539 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.631 2.435 -1.120 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.714 1.063 -0.531 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.091 5.018 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.841 3.743 -0.998 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.688 3.931 0.345 1.00 0.00 H new ATOM 78 N ILE A 6 15.345 -0.365 0.376 1.00 0.00 N ATOM 79 CA ILE A 6 16.251 -1.304 1.025 1.00 0.00 C ATOM 80 C ILE A 6 16.151 -1.205 2.543 1.00 0.00 C ATOM 81 O ILE A 6 16.082 -0.110 3.102 1.00 0.00 O ATOM 82 CB ILE A 6 17.712 -1.061 0.601 1.00 0.00 C ATOM 83 CG1 ILE A 6 17.856 -1.204 -0.916 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.640 -2.028 1.320 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.219 -0.803 -1.434 1.00 0.00 C ATOM 0 H ILE A 6 15.632 0.612 0.441 1.00 0.00 H new ATOM 0 HA ILE A 6 15.950 -2.303 0.708 1.00 0.00 H new ATOM 0 HB ILE A 6 17.992 -0.045 0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.660 -2.239 -1.195 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.097 -0.593 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.669 -1.844 1.010 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.554 -1.882 2.397 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.363 -3.052 1.069 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.249 -0.930 -2.516 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.410 0.241 -1.186 1.00 0.00 H new ATOM 0 HD13 ILE A 6 19.982 -1.431 -0.974 1.00 0.00 H new ATOM 97 N VAL A 7 16.147 -2.357 3.207 1.00 0.00 N ATOM 98 CA VAL A 7 16.059 -2.400 4.662 1.00 0.00 C ATOM 99 C VAL A 7 17.426 -2.653 5.287 1.00 0.00 C ATOM 100 O VAL A 7 18.099 -3.631 4.963 1.00 0.00 O ATOM 101 CB VAL A 7 15.081 -3.494 5.132 1.00 0.00 C ATOM 102 CG1 VAL A 7 13.642 -3.029 4.971 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.321 -4.787 4.367 1.00 0.00 C ATOM 0 H VAL A 7 16.204 -3.272 2.761 1.00 0.00 H new ATOM 0 HA VAL A 7 15.689 -1.428 4.987 1.00 0.00 H new ATOM 0 HB VAL A 7 15.259 -3.686 6.190 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.966 -3.815 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.481 -2.131 5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.446 -2.807 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.622 -5.549 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.171 -4.612 3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.342 -5.127 4.539 1.00 0.00 H new ATOM 113 N LYS A 8 17.832 -1.764 6.188 1.00 0.00 N ATOM 114 CA LYS A 8 19.118 -1.889 6.862 1.00 0.00 C ATOM 115 C LYS A 8 19.037 -1.361 8.291 1.00 0.00 C ATOM 116 O LYS A 8 19.122 -0.155 8.522 1.00 0.00 O ATOM 117 CB LYS A 8 20.199 -1.132 6.087 1.00 0.00 C ATOM 118 CG LYS A 8 19.945 -1.070 4.591 1.00 0.00 C ATOM 119 CD LYS A 8 21.066 -0.346 3.864 1.00 0.00 C ATOM 120 CE LYS A 8 20.896 1.164 3.942 1.00 0.00 C ATOM 121 NZ LYS A 8 21.763 1.870 2.958 1.00 0.00 N ATOM 0 H LYS A 8 17.287 -0.948 6.468 1.00 0.00 H new ATOM 0 HA LYS A 8 19.380 -2.946 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.270 -0.117 6.477 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.163 -1.610 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.847 -2.081 4.196 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.000 -0.561 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.025 -0.628 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 8 21.085 -0.658 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.853 1.422 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.136 1.505 4.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.619 2.897 3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.760 1.644 3.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.516 1.563 1.995 1.00 0.00 H new ATOM 135 N TRP A 9 18.875 -2.271 9.244 1.00 0.00 N ATOM 136 CA TRP A 9 18.785 -1.895 10.651 1.00 0.00 C ATOM 137 C TRP A 9 20.140 -2.025 11.337 1.00 0.00 C ATOM 138 O TRP A 9 20.777 -1.026 11.670 1.00 0.00 O ATOM 139 CB TRP A 9 17.751 -2.766 11.367 1.00 0.00 C ATOM 140 CG TRP A 9 17.438 -2.296 12.755 1.00 0.00 C ATOM 141 CD1 TRP A 9 17.469 -3.042 13.899 1.00 0.00 C ATOM 142 CD2 TRP A 9 17.045 -0.976 13.145 1.00 0.00 C ATOM 143 NE1 TRP A 9 17.119 -2.264 14.977 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.855 -0.993 14.541 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.837 0.219 12.451 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.466 0.139 15.252 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.451 1.342 13.159 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.269 1.296 14.548 1.00 0.00 C ATOM 0 H TRP A 9 18.803 -3.273 9.069 1.00 0.00 H new ATOM 0 HA TRP A 9 18.471 -0.853 10.704 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.832 -2.783 10.781 1.00 0.00 H new ATOM 0 HB3 TRP A 9 18.119 -3.791 11.412 1.00 0.00 H new ATOM 0 HD1 TRP A 9 17.730 -4.089 13.949 1.00 0.00 H new ATOM 0 HE1 TRP A 9 17.065 -2.582 15.945 1.00 0.00 H new ATOM 0 HE3 TRP A 9 16.975 0.264 11.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.325 0.105 16.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.287 2.271 12.633 1.00 0.00 H new ATOM 0 HH2 TRP A 9 15.968 2.191 15.073 1.00 0.00 H new ATOM 159 N GLY A 10 20.576 -3.264 11.547 1.00 0.00 N ATOM 160 CA GLY A 10 21.854 -3.501 12.193 1.00 0.00 C ATOM 161 C GLY A 10 22.357 -4.915 11.981 1.00 0.00 C ATOM 162 O GLY A 10 23.164 -5.167 11.086 1.00 0.00 O ATOM 0 H GLY A 10 20.067 -4.107 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.589 -2.795 11.807 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.759 -3.309 13.262 1.00 0.00 H new ATOM 166 N GLY A 11 21.881 -5.841 12.807 1.00 0.00 N ATOM 167 CA GLY A 11 22.301 -7.226 12.691 1.00 0.00 C ATOM 168 C GLY A 11 21.758 -7.893 11.443 1.00 0.00 C ATOM 169 O GLY A 11 22.155 -9.008 11.105 1.00 0.00 O ATOM 0 H GLY A 11 21.212 -5.657 13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.390 -7.273 12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.967 -7.779 13.569 1.00 0.00 H new ATOM 173 N GLN A 12 20.846 -7.210 10.758 1.00 0.00 N ATOM 174 CA GLN A 12 20.246 -7.745 9.541 1.00 0.00 C ATOM 175 C GLN A 12 19.974 -6.633 8.534 1.00 0.00 C ATOM 176 O GLN A 12 19.563 -5.535 8.905 1.00 0.00 O ATOM 177 CB GLN A 12 18.947 -8.482 9.870 1.00 0.00 C ATOM 178 CG GLN A 12 17.799 -7.556 10.237 1.00 0.00 C ATOM 179 CD GLN A 12 16.844 -8.178 11.237 1.00 0.00 C ATOM 180 OE1 GLN A 12 17.246 -8.580 12.330 1.00 0.00 O ATOM 181 NE2 GLN A 12 15.571 -8.260 10.868 1.00 0.00 N ATOM 0 H GLN A 12 20.507 -6.286 11.025 1.00 0.00 H new ATOM 0 HA GLN A 12 20.951 -8.447 9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.655 -9.087 9.012 1.00 0.00 H new ATOM 0 HB3 GLN A 12 19.128 -9.168 10.697 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.201 -6.631 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 12 17.250 -7.289 9.334 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.282 -7.914 9.953 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.882 -8.669 11.500 1.00 0.00 H new ATOM 190 N GLU A 13 20.206 -6.927 7.258 1.00 0.00 N ATOM 191 CA GLU A 13 19.986 -5.951 6.198 1.00 0.00 C ATOM 192 C GLU A 13 19.587 -6.641 4.897 1.00 0.00 C ATOM 193 O GLU A 13 20.425 -7.222 4.207 1.00 0.00 O ATOM 194 CB GLU A 13 21.247 -5.112 5.977 1.00 0.00 C ATOM 195 CG GLU A 13 21.289 -4.422 4.624 1.00 0.00 C ATOM 196 CD GLU A 13 22.327 -3.317 4.565 1.00 0.00 C ATOM 197 OE1 GLU A 13 22.895 -2.980 5.625 1.00 0.00 O ATOM 198 OE2 GLU A 13 22.571 -2.790 3.460 1.00 0.00 O ATOM 0 H GLU A 13 20.546 -7.833 6.934 1.00 0.00 H new ATOM 0 HA GLU A 13 19.171 -5.296 6.506 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.314 -4.359 6.762 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.122 -5.754 6.075 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.504 -5.159 3.851 1.00 0.00 H new ATOM 0 HG3 GLU A 13 20.307 -4.005 4.402 1.00 0.00 H new ATOM 205 N TYR A 14 18.302 -6.573 4.568 1.00 0.00 N ATOM 206 CA TYR A 14 17.789 -7.193 3.352 1.00 0.00 C ATOM 207 C TYR A 14 17.431 -6.137 2.311 1.00 0.00 C ATOM 208 O TYR A 14 17.801 -4.970 2.442 1.00 0.00 O ATOM 209 CB TYR A 14 16.562 -8.049 3.670 1.00 0.00 C ATOM 210 CG TYR A 14 16.625 -8.720 5.023 1.00 0.00 C ATOM 211 CD1 TYR A 14 17.605 -9.662 5.309 1.00 0.00 C ATOM 212 CD2 TYR A 14 15.705 -8.410 6.017 1.00 0.00 C ATOM 213 CE1 TYR A 14 17.666 -10.278 6.544 1.00 0.00 C ATOM 214 CE2 TYR A 14 15.759 -9.020 7.256 1.00 0.00 C ATOM 215 CZ TYR A 14 16.741 -9.953 7.514 1.00 0.00 C ATOM 216 OH TYR A 14 16.799 -10.563 8.746 1.00 0.00 O ATOM 0 H TYR A 14 17.596 -6.094 5.127 1.00 0.00 H new ATOM 0 HA TYR A 14 18.572 -7.830 2.941 1.00 0.00 H new ATOM 0 HB2 TYR A 14 15.671 -7.422 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.453 -8.813 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.332 -9.917 4.552 1.00 0.00 H new ATOM 0 HD2 TYR A 14 14.934 -7.680 5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 14 18.433 -11.010 6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.036 -8.767 8.018 1.00 0.00 H new ATOM 0 HH TYR A 14 16.077 -10.222 9.314 1.00 0.00 H new ATOM 226 N SER A 15 16.707 -6.555 1.278 1.00 0.00 N ATOM 227 CA SER A 15 16.300 -5.648 0.212 1.00 0.00 C ATOM 228 C SER A 15 14.809 -5.784 -0.078 1.00 0.00 C ATOM 229 O SER A 15 14.312 -6.881 -0.336 1.00 0.00 O ATOM 230 CB SER A 15 17.106 -5.926 -1.059 1.00 0.00 C ATOM 231 OG SER A 15 17.030 -7.294 -1.422 1.00 0.00 O ATOM 0 H SER A 15 16.390 -7.517 1.157 1.00 0.00 H new ATOM 0 HA SER A 15 16.496 -4.628 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 16.729 -5.309 -1.875 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.147 -5.646 -0.902 1.00 0.00 H new ATOM 0 HG SER A 15 16.131 -7.633 -1.232 1.00 0.00 H new ATOM 237 N VAL A 16 14.099 -4.661 -0.033 1.00 0.00 N ATOM 238 CA VAL A 16 12.664 -4.654 -0.292 1.00 0.00 C ATOM 239 C VAL A 16 12.350 -3.998 -1.632 1.00 0.00 C ATOM 240 O VAL A 16 11.403 -3.219 -1.749 1.00 0.00 O ATOM 241 CB VAL A 16 11.897 -3.914 0.821 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.407 -4.203 0.725 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.437 -4.304 2.189 1.00 0.00 C ATOM 0 H VAL A 16 14.494 -3.745 0.180 1.00 0.00 H new ATOM 0 HA VAL A 16 12.342 -5.695 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 16 12.044 -2.842 0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.882 -3.672 1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.033 -3.870 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.237 -5.274 0.831 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.884 -3.772 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.321 -5.378 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 16 13.493 -4.041 2.252 1.00 0.00 H new ATOM 253 N THR A 17 13.151 -4.318 -2.643 1.00 0.00 N ATOM 254 CA THR A 17 12.961 -3.760 -3.976 1.00 0.00 C ATOM 255 C THR A 17 11.742 -4.371 -4.658 1.00 0.00 C ATOM 256 O THR A 17 11.171 -5.349 -4.175 1.00 0.00 O ATOM 257 CB THR A 17 14.199 -3.988 -4.863 1.00 0.00 C ATOM 258 OG1 THR A 17 13.997 -3.390 -6.149 1.00 0.00 O ATOM 259 CG2 THR A 17 14.482 -5.474 -5.027 1.00 0.00 C ATOM 0 H THR A 17 13.938 -4.961 -2.564 1.00 0.00 H new ATOM 0 HA THR A 17 12.806 -2.688 -3.851 1.00 0.00 H new ATOM 0 HB THR A 17 15.057 -3.523 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 17 14.789 -3.538 -6.707 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.361 -5.610 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.665 -5.920 -4.049 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.624 -5.959 -5.492 1.00 0.00 H new ATOM 267 N THR A 18 11.347 -3.788 -5.786 1.00 0.00 N ATOM 268 CA THR A 18 10.195 -4.275 -6.535 1.00 0.00 C ATOM 269 C THR A 18 10.612 -5.310 -7.573 1.00 0.00 C ATOM 270 O THR A 18 9.767 -5.918 -8.232 1.00 0.00 O ATOM 271 CB THR A 18 9.458 -3.122 -7.244 1.00 0.00 C ATOM 272 OG1 THR A 18 8.365 -3.638 -8.011 1.00 0.00 O ATOM 273 CG2 THR A 18 10.404 -2.353 -8.153 1.00 0.00 C ATOM 0 H THR A 18 11.808 -2.978 -6.201 1.00 0.00 H new ATOM 0 HA THR A 18 9.522 -4.738 -5.814 1.00 0.00 H new ATOM 0 HB THR A 18 9.077 -2.441 -6.483 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.430 -4.615 -8.057 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.861 -1.544 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.219 -1.937 -7.561 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.811 -3.026 -8.908 1.00 0.00 H new ATOM 281 N LEU A 19 11.918 -5.508 -7.714 1.00 0.00 N ATOM 282 CA LEU A 19 12.447 -6.472 -8.672 1.00 0.00 C ATOM 283 C LEU A 19 12.182 -6.018 -10.104 1.00 0.00 C ATOM 284 O LEU A 19 11.682 -4.918 -10.335 1.00 0.00 O ATOM 285 CB LEU A 19 11.823 -7.849 -8.438 1.00 0.00 C ATOM 286 CG LEU A 19 11.602 -8.246 -6.978 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.724 -9.484 -6.888 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.935 -8.483 -6.282 1.00 0.00 C ATOM 0 H LEU A 19 12.630 -5.014 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 19 13.525 -6.539 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.863 -7.883 -8.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.461 -8.599 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 19 11.091 -7.427 -6.472 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.578 -9.751 -5.841 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.758 -9.279 -7.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.206 -10.311 -7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.758 -8.765 -5.244 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.473 -9.284 -6.789 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.530 -7.570 -6.314 1.00 0.00 H new ATOM 300 N SER A 20 12.518 -6.875 -11.063 1.00 0.00 N ATOM 301 CA SER A 20 12.318 -6.562 -12.473 1.00 0.00 C ATOM 302 C SER A 20 10.886 -6.867 -12.899 1.00 0.00 C ATOM 303 O SER A 20 10.133 -7.510 -12.167 1.00 0.00 O ATOM 304 CB SER A 20 13.300 -7.355 -13.338 1.00 0.00 C ATOM 305 OG SER A 20 14.641 -7.050 -12.997 1.00 0.00 O ATOM 0 H SER A 20 12.930 -7.792 -10.889 1.00 0.00 H new ATOM 0 HA SER A 20 12.501 -5.497 -12.613 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.123 -8.423 -13.209 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.128 -7.128 -14.390 1.00 0.00 H new ATOM 0 HG SER A 20 15.249 -7.571 -13.563 1.00 0.00 H new ATOM 311 N GLU A 21 10.516 -6.402 -14.088 1.00 0.00 N ATOM 312 CA GLU A 21 9.174 -6.624 -14.612 1.00 0.00 C ATOM 313 C GLU A 21 8.904 -8.114 -14.801 1.00 0.00 C ATOM 314 O GLU A 21 7.765 -8.568 -14.691 1.00 0.00 O ATOM 315 CB GLU A 21 8.993 -5.889 -15.942 1.00 0.00 C ATOM 316 CG GLU A 21 10.082 -6.190 -16.957 1.00 0.00 C ATOM 317 CD GLU A 21 11.169 -5.133 -16.978 1.00 0.00 C ATOM 318 OE1 GLU A 21 10.913 -4.030 -17.503 1.00 0.00 O ATOM 319 OE2 GLU A 21 12.275 -5.409 -16.469 1.00 0.00 O ATOM 0 H GLU A 21 11.127 -5.869 -14.707 1.00 0.00 H new ATOM 0 HA GLU A 21 8.460 -6.231 -13.888 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.027 -6.159 -16.368 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.970 -4.816 -15.754 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.527 -7.159 -16.730 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.637 -6.268 -17.949 1.00 0.00 H new ATOM 326 N ASP A 22 9.959 -8.869 -15.087 1.00 0.00 N ATOM 327 CA ASP A 22 9.837 -10.308 -15.292 1.00 0.00 C ATOM 328 C ASP A 22 9.332 -10.995 -14.028 1.00 0.00 C ATOM 329 O ASP A 22 8.806 -12.107 -14.082 1.00 0.00 O ATOM 330 CB ASP A 22 11.184 -10.901 -15.707 1.00 0.00 C ATOM 331 CG ASP A 22 11.031 -12.177 -16.511 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.237 -12.180 -17.476 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.706 -13.173 -16.177 1.00 0.00 O ATOM 0 H ASP A 22 10.908 -8.509 -15.182 1.00 0.00 H new ATOM 0 HA ASP A 22 9.114 -10.477 -16.090 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.735 -10.168 -16.296 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.778 -11.105 -14.816 1.00 0.00 H new ATOM 338 N ASP A 23 9.497 -10.328 -12.891 1.00 0.00 N ATOM 339 CA ASP A 23 9.058 -10.875 -11.612 1.00 0.00 C ATOM 340 C ASP A 23 8.001 -9.980 -10.973 1.00 0.00 C ATOM 341 O ASP A 23 7.526 -9.024 -11.587 1.00 0.00 O ATOM 342 CB ASP A 23 10.249 -11.034 -10.666 1.00 0.00 C ATOM 343 CG ASP A 23 11.437 -11.695 -11.336 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.223 -12.639 -12.125 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.581 -11.269 -11.072 1.00 0.00 O ATOM 0 H ASP A 23 9.932 -9.407 -12.829 1.00 0.00 H new ATOM 0 HA ASP A 23 8.616 -11.854 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.545 -10.054 -10.292 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.947 -11.626 -9.802 1.00 0.00 H new ATOM 350 N THR A 24 7.634 -10.297 -9.735 1.00 0.00 N ATOM 351 CA THR A 24 6.631 -9.525 -9.013 1.00 0.00 C ATOM 352 C THR A 24 6.909 -9.526 -7.515 1.00 0.00 C ATOM 353 O THR A 24 7.787 -10.245 -7.037 1.00 0.00 O ATOM 354 CB THR A 24 5.213 -10.073 -9.262 1.00 0.00 C ATOM 355 OG1 THR A 24 5.278 -11.464 -9.595 1.00 0.00 O ATOM 356 CG2 THR A 24 4.526 -9.309 -10.383 1.00 0.00 C ATOM 0 H THR A 24 8.017 -11.084 -9.211 1.00 0.00 H new ATOM 0 HA THR A 24 6.688 -8.503 -9.389 1.00 0.00 H new ATOM 0 HB THR A 24 4.632 -9.945 -8.349 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.895 -11.605 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.526 -9.714 -10.540 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.452 -8.255 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.106 -9.409 -11.300 1.00 0.00 H new ATOM 364 N VAL A 25 6.156 -8.718 -6.776 1.00 0.00 N ATOM 365 CA VAL A 25 6.320 -8.628 -5.331 1.00 0.00 C ATOM 366 C VAL A 25 5.986 -9.953 -4.656 1.00 0.00 C ATOM 367 O VAL A 25 6.494 -10.259 -3.576 1.00 0.00 O ATOM 368 CB VAL A 25 5.432 -7.521 -4.732 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.419 -7.609 -3.214 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.907 -6.150 -5.191 1.00 0.00 C ATOM 0 H VAL A 25 5.425 -8.116 -7.155 1.00 0.00 H new ATOM 0 HA VAL A 25 7.366 -8.383 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 25 4.412 -7.665 -5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.787 -6.819 -2.809 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.027 -8.579 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.434 -7.492 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.268 -5.380 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.935 -5.993 -4.866 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.858 -6.093 -6.278 1.00 0.00 H new ATOM 380 N LEU A 26 5.127 -10.737 -5.298 1.00 0.00 N ATOM 381 CA LEU A 26 4.724 -12.032 -4.761 1.00 0.00 C ATOM 382 C LEU A 26 5.941 -12.907 -4.478 1.00 0.00 C ATOM 383 O LEU A 26 5.986 -13.618 -3.474 1.00 0.00 O ATOM 384 CB LEU A 26 3.787 -12.743 -5.739 1.00 0.00 C ATOM 385 CG LEU A 26 4.266 -12.824 -7.189 1.00 0.00 C ATOM 386 CD1 LEU A 26 5.027 -14.119 -7.429 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.089 -12.709 -8.147 1.00 0.00 C ATOM 0 H LEU A 26 4.696 -10.499 -6.191 1.00 0.00 H new ATOM 0 HA LEU A 26 4.197 -11.860 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.617 -13.757 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.824 -12.233 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 26 4.943 -11.990 -7.375 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.360 -14.159 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.893 -14.160 -6.768 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.374 -14.968 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.449 -12.769 -9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.387 -13.522 -7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.587 -11.754 -7.993 1.00 0.00 H new ATOM 399 N ASP A 27 6.925 -12.848 -5.367 1.00 0.00 N ATOM 400 CA ASP A 27 8.145 -13.632 -5.212 1.00 0.00 C ATOM 401 C ASP A 27 8.901 -13.217 -3.954 1.00 0.00 C ATOM 402 O ASP A 27 8.964 -13.966 -2.978 1.00 0.00 O ATOM 403 CB ASP A 27 9.042 -13.468 -6.439 1.00 0.00 C ATOM 404 CG ASP A 27 8.793 -14.537 -7.486 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.983 -15.731 -7.172 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.407 -14.179 -8.618 1.00 0.00 O ATOM 0 H ASP A 27 6.902 -12.265 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 27 7.864 -14.681 -5.116 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.873 -12.486 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.086 -13.503 -6.129 1.00 0.00 H new ATOM 411 N LEU A 28 9.476 -12.019 -3.984 1.00 0.00 N ATOM 412 CA LEU A 28 10.229 -11.503 -2.846 1.00 0.00 C ATOM 413 C LEU A 28 9.411 -11.598 -1.563 1.00 0.00 C ATOM 414 O LEU A 28 9.951 -11.852 -0.486 1.00 0.00 O ATOM 415 CB LEU A 28 10.639 -10.051 -3.097 1.00 0.00 C ATOM 416 CG LEU A 28 9.553 -8.999 -2.872 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.569 -8.514 -1.431 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.735 -7.831 -3.831 1.00 0.00 C ATOM 0 H LEU A 28 9.435 -11.387 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 28 11.125 -12.112 -2.729 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.484 -9.816 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.991 -9.966 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 28 8.584 -9.458 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.789 -7.766 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.389 -9.356 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.540 -8.073 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.953 -7.092 -3.657 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.710 -7.373 -3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.672 -8.190 -4.858 1.00 0.00 H new ATOM 430 N LYS A 29 8.104 -11.394 -1.684 1.00 0.00 N ATOM 431 CA LYS A 29 7.208 -11.460 -0.535 1.00 0.00 C ATOM 432 C LYS A 29 7.407 -12.761 0.236 1.00 0.00 C ATOM 433 O LYS A 29 7.690 -12.745 1.433 1.00 0.00 O ATOM 434 CB LYS A 29 5.752 -11.341 -0.990 1.00 0.00 C ATOM 435 CG LYS A 29 4.747 -11.506 0.137 1.00 0.00 C ATOM 436 CD LYS A 29 3.392 -10.930 -0.235 1.00 0.00 C ATOM 437 CE LYS A 29 3.343 -9.427 -0.004 1.00 0.00 C ATOM 438 NZ LYS A 29 2.065 -8.833 -0.486 1.00 0.00 N ATOM 0 H LYS A 29 7.641 -11.181 -2.567 1.00 0.00 H new ATOM 0 HA LYS A 29 7.444 -10.627 0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.605 -10.367 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.556 -12.094 -1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.640 -12.564 0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.120 -11.011 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.179 -11.145 -1.282 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.615 -11.415 0.355 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.462 -9.219 1.059 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.180 -8.953 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.915 -7.912 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.110 -8.702 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.276 -9.469 -0.252 1.00 0.00 H new ATOM 452 N GLN A 30 7.258 -13.884 -0.459 1.00 0.00 N ATOM 453 CA GLN A 30 7.423 -15.193 0.162 1.00 0.00 C ATOM 454 C GLN A 30 8.815 -15.337 0.767 1.00 0.00 C ATOM 455 O GLN A 30 8.988 -15.974 1.807 1.00 0.00 O ATOM 456 CB GLN A 30 7.183 -16.301 -0.865 1.00 0.00 C ATOM 457 CG GLN A 30 5.712 -16.609 -1.096 1.00 0.00 C ATOM 458 CD GLN A 30 5.500 -17.893 -1.873 1.00 0.00 C ATOM 459 OE1 GLN A 30 5.385 -17.878 -3.099 1.00 0.00 O ATOM 460 NE2 GLN A 30 5.446 -19.013 -1.163 1.00 0.00 N ATOM 0 H GLN A 30 7.024 -13.914 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 30 6.688 -15.283 0.962 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.638 -16.012 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.688 -17.208 -0.533 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.205 -16.683 -0.134 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.252 -15.782 -1.636 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.546 -18.979 -0.149 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.304 -19.908 -1.632 1.00 0.00 H new ATOM 469 N PHE A 31 9.805 -14.742 0.110 1.00 0.00 N ATOM 470 CA PHE A 31 11.183 -14.806 0.584 1.00 0.00 C ATOM 471 C PHE A 31 11.337 -14.070 1.912 1.00 0.00 C ATOM 472 O PHE A 31 12.029 -14.537 2.817 1.00 0.00 O ATOM 473 CB PHE A 31 12.130 -14.205 -0.457 1.00 0.00 C ATOM 474 CG PHE A 31 12.687 -15.218 -1.416 1.00 0.00 C ATOM 475 CD1 PHE A 31 13.758 -16.019 -1.054 1.00 0.00 C ATOM 476 CD2 PHE A 31 12.139 -15.370 -2.680 1.00 0.00 C ATOM 477 CE1 PHE A 31 14.272 -16.953 -1.934 1.00 0.00 C ATOM 478 CE2 PHE A 31 12.649 -16.302 -3.564 1.00 0.00 C ATOM 479 CZ PHE A 31 13.718 -17.093 -3.191 1.00 0.00 C ATOM 0 H PHE A 31 9.679 -14.210 -0.751 1.00 0.00 H new ATOM 0 HA PHE A 31 11.440 -15.854 0.738 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.599 -13.437 -1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 31 12.955 -13.710 0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.196 -15.912 -0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.304 -14.753 -2.978 1.00 0.00 H new ATOM 0 HE1 PHE A 31 15.106 -17.572 -1.639 1.00 0.00 H new ATOM 0 HE2 PHE A 31 12.212 -16.412 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.120 -17.820 -3.881 1.00 0.00 H new ATOM 489 N LEU A 32 10.687 -12.917 2.020 1.00 0.00 N ATOM 490 CA LEU A 32 10.750 -12.114 3.237 1.00 0.00 C ATOM 491 C LEU A 32 10.121 -12.856 4.412 1.00 0.00 C ATOM 492 O LEU A 32 10.551 -12.708 5.556 1.00 0.00 O ATOM 493 CB LEU A 32 10.042 -10.775 3.026 1.00 0.00 C ATOM 494 CG LEU A 32 10.681 -9.830 2.009 1.00 0.00 C ATOM 495 CD1 LEU A 32 9.980 -8.481 2.018 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.166 -9.663 2.296 1.00 0.00 C ATOM 0 H LEU A 32 10.110 -12.517 1.280 1.00 0.00 H new ATOM 0 HA LEU A 32 11.799 -11.930 3.467 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.017 -10.974 2.713 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.988 -10.261 3.985 1.00 0.00 H new ATOM 0 HG LEU A 32 10.569 -10.267 1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.449 -7.822 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.929 -8.615 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.059 -8.037 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.605 -8.987 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.299 -9.249 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.659 -10.633 2.236 1.00 0.00 H new ATOM 508 N LYS A 33 9.101 -13.657 4.121 1.00 0.00 N ATOM 509 CA LYS A 33 8.413 -14.426 5.152 1.00 0.00 C ATOM 510 C LYS A 33 9.299 -15.554 5.671 1.00 0.00 C ATOM 511 O LYS A 33 9.245 -15.909 6.849 1.00 0.00 O ATOM 512 CB LYS A 33 7.106 -15.001 4.602 1.00 0.00 C ATOM 513 CG LYS A 33 6.122 -13.940 4.139 1.00 0.00 C ATOM 514 CD LYS A 33 5.295 -14.423 2.960 1.00 0.00 C ATOM 515 CE LYS A 33 3.816 -14.126 3.158 1.00 0.00 C ATOM 516 NZ LYS A 33 3.261 -14.837 4.342 1.00 0.00 N ATOM 0 H LYS A 33 8.732 -13.791 3.179 1.00 0.00 H new ATOM 0 HA LYS A 33 8.187 -13.755 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.333 -15.663 3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.634 -15.611 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.461 -13.672 4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.664 -13.037 3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.645 -13.941 2.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.438 -15.496 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.675 -13.052 3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.264 -14.421 2.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.247 -15.014 4.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.756 -15.743 4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.392 -14.251 5.191 1.00 0.00 H new ATOM 530 N THR A 34 10.115 -16.115 4.784 1.00 0.00 N ATOM 531 CA THR A 34 11.013 -17.203 5.152 1.00 0.00 C ATOM 532 C THR A 34 12.338 -16.667 5.681 1.00 0.00 C ATOM 533 O THR A 34 13.016 -17.327 6.470 1.00 0.00 O ATOM 534 CB THR A 34 11.289 -18.133 3.956 1.00 0.00 C ATOM 535 OG1 THR A 34 12.047 -17.437 2.959 1.00 0.00 O ATOM 536 CG2 THR A 34 9.988 -18.637 3.350 1.00 0.00 C ATOM 0 H THR A 34 10.172 -15.834 3.805 1.00 0.00 H new ATOM 0 HA THR A 34 10.515 -17.772 5.937 1.00 0.00 H new ATOM 0 HB THR A 34 11.860 -18.989 4.315 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.880 -16.474 3.034 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.209 -19.292 2.507 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.427 -19.191 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.395 -17.790 3.006 1.00 0.00 H new ATOM 544 N LEU A 35 12.702 -15.466 5.244 1.00 0.00 N ATOM 545 CA LEU A 35 13.947 -14.840 5.675 1.00 0.00 C ATOM 546 C LEU A 35 13.768 -14.138 7.017 1.00 0.00 C ATOM 547 O LEU A 35 14.586 -14.292 7.925 1.00 0.00 O ATOM 548 CB LEU A 35 14.428 -13.839 4.623 1.00 0.00 C ATOM 549 CG LEU A 35 15.937 -13.596 4.568 1.00 0.00 C ATOM 550 CD1 LEU A 35 16.272 -12.559 3.507 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.455 -13.155 5.930 1.00 0.00 C ATOM 0 H LEU A 35 12.153 -14.907 4.592 1.00 0.00 H new ATOM 0 HA LEU A 35 14.696 -15.623 5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.100 -14.186 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.933 -12.885 4.805 1.00 0.00 H new ATOM 0 HG LEU A 35 16.428 -14.532 4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 35 17.350 -12.399 3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.935 -12.913 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.771 -11.620 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 35 17.530 -12.986 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.958 -12.231 6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.248 -13.931 6.667 1.00 0.00 H new ATOM 563 N THR A 36 12.691 -13.368 7.137 1.00 0.00 N ATOM 564 CA THR A 36 12.404 -12.644 8.369 1.00 0.00 C ATOM 565 C THR A 36 11.125 -13.156 9.022 1.00 0.00 C ATOM 566 O THR A 36 11.059 -13.312 10.241 1.00 0.00 O ATOM 567 CB THR A 36 12.265 -11.131 8.111 1.00 0.00 C ATOM 568 OG1 THR A 36 10.889 -10.793 7.906 1.00 0.00 O ATOM 569 CG2 THR A 36 13.082 -10.712 6.898 1.00 0.00 C ATOM 0 H THR A 36 12.003 -13.230 6.396 1.00 0.00 H new ATOM 0 HA THR A 36 13.245 -12.815 9.040 1.00 0.00 H new ATOM 0 HB THR A 36 12.642 -10.600 8.985 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.573 -11.199 7.072 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.968 -9.640 6.735 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.133 -10.944 7.070 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.731 -11.252 6.019 1.00 0.00 H new ATOM 577 N GLY A 37 10.111 -13.416 8.203 1.00 0.00 N ATOM 578 CA GLY A 37 8.847 -13.908 8.721 1.00 0.00 C ATOM 579 C GLY A 37 8.344 -13.092 9.895 1.00 0.00 C ATOM 580 O GLY A 37 7.630 -13.606 10.756 1.00 0.00 O ATOM 0 H GLY A 37 10.142 -13.295 7.191 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.102 -13.893 7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.964 -14.947 9.028 1.00 0.00 H new ATOM 584 N VAL A 38 8.718 -11.817 9.931 1.00 0.00 N ATOM 585 CA VAL A 38 8.300 -10.928 11.008 1.00 0.00 C ATOM 586 C VAL A 38 7.500 -9.748 10.468 1.00 0.00 C ATOM 587 O VAL A 38 6.799 -9.065 11.216 1.00 0.00 O ATOM 588 CB VAL A 38 9.511 -10.395 11.797 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.340 -9.457 10.934 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.052 -9.698 13.069 1.00 0.00 C ATOM 0 H VAL A 38 9.310 -11.377 9.226 1.00 0.00 H new ATOM 0 HA VAL A 38 7.670 -11.515 11.676 1.00 0.00 H new ATOM 0 HB VAL A 38 10.140 -11.240 12.079 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.191 -9.091 11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.699 -9.993 10.055 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.725 -8.614 10.619 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.920 -9.328 13.614 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.401 -8.862 12.811 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.505 -10.404 13.694 1.00 0.00 H new ATOM 600 N LEU A 39 7.609 -9.513 9.165 1.00 0.00 N ATOM 601 CA LEU A 39 6.895 -8.415 8.523 1.00 0.00 C ATOM 602 C LEU A 39 5.387 -8.641 8.576 1.00 0.00 C ATOM 603 O LEU A 39 4.620 -7.779 9.002 1.00 0.00 O ATOM 604 CB LEU A 39 7.349 -8.265 7.071 1.00 0.00 C ATOM 605 CG LEU A 39 8.815 -8.599 6.788 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.176 -8.244 5.354 1.00 0.00 C ATOM 607 CD2 LEU A 39 9.726 -7.870 7.765 1.00 0.00 C ATOM 0 H LEU A 39 8.185 -10.068 8.532 1.00 0.00 H new ATOM 0 HA LEU A 39 7.126 -7.498 9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.724 -8.905 6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.164 -7.237 6.758 1.00 0.00 H new ATOM 0 HG LEU A 39 8.956 -9.672 6.922 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.222 -8.488 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.546 -8.811 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.019 -7.177 5.193 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.765 -8.119 7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 39 9.582 -6.794 7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.484 -8.174 8.784 1.00 0.00 H new ATOM 619 N PRO A 40 4.951 -9.830 8.133 1.00 0.00 N ATOM 620 CA PRO A 40 3.533 -10.199 8.122 1.00 0.00 C ATOM 621 C PRO A 40 2.977 -10.408 9.526 1.00 0.00 C ATOM 622 O PRO A 40 1.773 -10.587 9.706 1.00 0.00 O ATOM 623 CB PRO A 40 3.514 -11.514 7.339 1.00 0.00 C ATOM 624 CG PRO A 40 4.879 -12.084 7.523 1.00 0.00 C ATOM 625 CD PRO A 40 5.810 -10.906 7.611 1.00 0.00 C ATOM 0 HA PRO A 40 2.913 -9.417 7.684 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.748 -12.190 7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.295 -11.344 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.930 -12.691 8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 40 5.147 -12.732 6.689 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.651 -11.107 8.275 1.00 0.00 H new ATOM 0 HD3 PRO A 40 6.227 -10.650 6.637 1.00 0.00 H new ATOM 633 N GLU A 41 3.861 -10.382 10.518 1.00 0.00 N ATOM 634 CA GLU A 41 3.457 -10.568 11.907 1.00 0.00 C ATOM 635 C GLU A 41 3.530 -9.253 12.676 1.00 0.00 C ATOM 636 O GLU A 41 2.505 -8.637 12.971 1.00 0.00 O ATOM 637 CB GLU A 41 4.343 -11.617 12.583 1.00 0.00 C ATOM 638 CG GLU A 41 4.232 -12.999 11.963 1.00 0.00 C ATOM 639 CD GLU A 41 3.101 -13.816 12.557 1.00 0.00 C ATOM 640 OE1 GLU A 41 3.335 -14.495 13.580 1.00 0.00 O ATOM 641 OE2 GLU A 41 1.984 -13.778 12.001 1.00 0.00 O ATOM 0 H GLU A 41 4.862 -10.234 10.386 1.00 0.00 H new ATOM 0 HA GLU A 41 2.424 -10.916 11.914 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.381 -11.289 12.535 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.077 -11.679 13.638 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.078 -12.900 10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.172 -13.532 12.102 1.00 0.00 H new ATOM 648 N ARG A 42 4.747 -8.828 12.998 1.00 0.00 N ATOM 649 CA ARG A 42 4.954 -7.587 13.734 1.00 0.00 C ATOM 650 C ARG A 42 6.226 -6.884 13.268 1.00 0.00 C ATOM 651 O ARG A 42 7.335 -7.349 13.530 1.00 0.00 O ATOM 652 CB ARG A 42 5.035 -7.868 15.236 1.00 0.00 C ATOM 653 CG ARG A 42 3.995 -8.862 15.726 1.00 0.00 C ATOM 654 CD ARG A 42 3.794 -8.760 17.230 1.00 0.00 C ATOM 655 NE ARG A 42 2.812 -9.725 17.717 1.00 0.00 N ATOM 656 CZ ARG A 42 2.646 -10.021 19.002 1.00 0.00 C ATOM 657 NH1 ARG A 42 3.394 -9.430 19.923 1.00 0.00 N ATOM 658 NH2 ARG A 42 1.731 -10.910 19.367 1.00 0.00 N ATOM 0 H ARG A 42 5.605 -9.325 12.761 1.00 0.00 H new ATOM 0 HA ARG A 42 4.105 -6.932 13.539 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.029 -8.248 15.473 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.914 -6.931 15.780 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.048 -8.680 15.218 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.306 -9.874 15.467 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.746 -8.925 17.735 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.469 -7.751 17.485 1.00 0.00 H new ATOM 0 HE ARG A 42 2.221 -10.198 17.033 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.099 -8.747 19.646 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.265 -9.659 20.909 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.154 -11.367 18.661 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.605 -11.136 20.354 1.00 0.00 H new ATOM 672 N GLN A 43 6.056 -5.762 12.575 1.00 0.00 N ATOM 673 CA GLN A 43 7.190 -4.997 12.072 1.00 0.00 C ATOM 674 C GLN A 43 6.990 -3.504 12.315 1.00 0.00 C ATOM 675 O GLN A 43 5.869 -3.045 12.534 1.00 0.00 O ATOM 676 CB GLN A 43 7.388 -5.261 10.578 1.00 0.00 C ATOM 677 CG GLN A 43 6.095 -5.229 9.778 1.00 0.00 C ATOM 678 CD GLN A 43 5.447 -3.859 9.771 1.00 0.00 C ATOM 679 OE1 GLN A 43 6.117 -2.843 9.583 1.00 0.00 O ATOM 680 NE2 GLN A 43 4.135 -3.823 9.977 1.00 0.00 N ATOM 0 H GLN A 43 5.145 -5.363 12.350 1.00 0.00 H new ATOM 0 HA GLN A 43 8.081 -5.318 12.611 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.074 -4.517 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.861 -6.234 10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.299 -5.535 8.752 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.397 -5.955 10.194 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.619 -4.689 10.129 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.644 -2.929 9.984 1.00 0.00 H new ATOM 689 N LYS A 44 8.084 -2.751 12.274 1.00 0.00 N ATOM 690 CA LYS A 44 8.030 -1.310 12.488 1.00 0.00 C ATOM 691 C LYS A 44 8.710 -0.564 11.345 1.00 0.00 C ATOM 692 O LYS A 44 9.413 0.423 11.566 1.00 0.00 O ATOM 693 CB LYS A 44 8.696 -0.946 13.817 1.00 0.00 C ATOM 694 CG LYS A 44 7.908 -1.396 15.035 1.00 0.00 C ATOM 695 CD LYS A 44 7.014 -0.287 15.562 1.00 0.00 C ATOM 696 CE LYS A 44 7.826 0.823 16.212 1.00 0.00 C ATOM 697 NZ LYS A 44 6.956 1.818 16.899 1.00 0.00 N ATOM 0 H LYS A 44 9.020 -3.115 12.094 1.00 0.00 H new ATOM 0 HA LYS A 44 6.982 -1.012 12.520 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.689 -1.394 13.851 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.832 0.135 13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.300 -2.263 14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.597 -1.713 15.818 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.423 0.125 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.312 -0.698 16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.521 0.391 16.932 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.425 1.327 15.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.547 2.558 17.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.309 2.249 16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.403 1.342 17.640 1.00 0.00 H new ATOM 711 N LEU A 45 8.496 -1.041 10.124 1.00 0.00 N ATOM 712 CA LEU A 45 9.088 -0.417 8.945 1.00 0.00 C ATOM 713 C LEU A 45 8.521 0.982 8.726 1.00 0.00 C ATOM 714 O LEU A 45 7.328 1.217 8.922 1.00 0.00 O ATOM 715 CB LEU A 45 8.838 -1.281 7.707 1.00 0.00 C ATOM 716 CG LEU A 45 8.957 -2.792 7.908 1.00 0.00 C ATOM 717 CD1 LEU A 45 8.839 -3.519 6.577 1.00 0.00 C ATOM 718 CD2 LEU A 45 10.272 -3.137 8.592 1.00 0.00 C ATOM 0 H LEU A 45 7.918 -1.857 9.924 1.00 0.00 H new ATOM 0 HA LEU A 45 10.162 -0.331 9.110 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.838 -1.062 7.332 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.542 -0.981 6.931 1.00 0.00 H new ATOM 0 HG LEU A 45 8.140 -3.119 8.551 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.926 -4.593 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.872 -3.298 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 45 9.635 -3.188 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 45 10.340 -4.216 8.727 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.103 -2.796 7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 45 10.316 -2.646 9.564 1.00 0.00 H new ATOM 730 N LEU A 46 9.382 1.906 8.315 1.00 0.00 N ATOM 731 CA LEU A 46 8.967 3.282 8.067 1.00 0.00 C ATOM 732 C LEU A 46 8.403 3.435 6.658 1.00 0.00 C ATOM 733 O LEU A 46 9.106 3.222 5.671 1.00 0.00 O ATOM 734 CB LEU A 46 10.147 4.235 8.262 1.00 0.00 C ATOM 735 CG LEU A 46 10.817 4.202 9.637 1.00 0.00 C ATOM 736 CD1 LEU A 46 9.771 4.110 10.737 1.00 0.00 C ATOM 737 CD2 LEU A 46 11.793 3.038 9.727 1.00 0.00 C ATOM 0 H LEU A 46 10.372 1.727 8.146 1.00 0.00 H new ATOM 0 HA LEU A 46 8.183 3.533 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.900 4.008 7.508 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.802 5.252 8.072 1.00 0.00 H new ATOM 0 HG LEU A 46 11.375 5.129 9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.265 4.088 11.708 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.112 4.976 10.685 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.185 3.200 10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.260 3.030 10.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.258 2.101 9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.561 3.148 8.962 1.00 0.00 H new ATOM 749 N GLY A 47 7.129 3.807 6.573 1.00 0.00 N ATOM 750 CA GLY A 47 6.493 3.984 5.280 1.00 0.00 C ATOM 751 C GLY A 47 6.043 2.671 4.671 1.00 0.00 C ATOM 752 O GLY A 47 4.856 2.477 4.402 1.00 0.00 O ATOM 0 H GLY A 47 6.526 3.989 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.633 4.644 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.189 4.477 4.601 1.00 0.00 H new ATOM 756 N LEU A 48 6.991 1.766 4.452 1.00 0.00 N ATOM 757 CA LEU A 48 6.686 0.464 3.869 1.00 0.00 C ATOM 758 C LEU A 48 5.871 -0.388 4.836 1.00 0.00 C ATOM 759 O LEU A 48 5.986 -0.247 6.054 1.00 0.00 O ATOM 760 CB LEU A 48 7.978 -0.263 3.493 1.00 0.00 C ATOM 761 CG LEU A 48 7.837 -1.747 3.149 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.074 -1.922 1.845 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.205 -2.406 3.061 1.00 0.00 C ATOM 0 H LEU A 48 7.977 1.910 4.669 1.00 0.00 H new ATOM 0 HA LEU A 48 6.093 0.626 2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.423 0.247 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.680 -0.168 4.322 1.00 0.00 H new ATOM 0 HG LEU A 48 7.272 -2.233 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.983 -2.984 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.080 -1.486 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.611 -1.422 1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.085 -3.461 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.795 -1.918 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.716 -2.312 4.019 1.00 0.00 H new ATOM 775 N LYS A 49 5.049 -1.276 4.286 1.00 0.00 N ATOM 776 CA LYS A 49 4.217 -2.155 5.099 1.00 0.00 C ATOM 777 C LYS A 49 3.332 -1.348 6.042 1.00 0.00 C ATOM 778 O LYS A 49 3.524 -1.365 7.258 1.00 0.00 O ATOM 779 CB LYS A 49 5.092 -3.119 5.904 1.00 0.00 C ATOM 780 CG LYS A 49 5.440 -4.394 5.156 1.00 0.00 C ATOM 781 CD LYS A 49 4.457 -5.510 5.469 1.00 0.00 C ATOM 782 CE LYS A 49 4.661 -6.706 4.552 1.00 0.00 C ATOM 783 NZ LYS A 49 3.999 -7.930 5.081 1.00 0.00 N ATOM 0 H LYS A 49 4.941 -1.406 3.280 1.00 0.00 H new ATOM 0 HA LYS A 49 3.576 -2.728 4.429 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.014 -2.610 6.186 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.576 -3.379 6.828 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.441 -4.199 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.448 -4.710 5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.577 -5.821 6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.438 -5.139 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.264 -6.477 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.728 -6.893 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.161 -8.723 4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.395 -8.164 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.977 -7.760 5.172 1.00 0.00 H new ATOM 797 N VAL A 50 2.359 -0.642 5.474 1.00 0.00 N ATOM 798 CA VAL A 50 1.442 0.170 6.265 1.00 0.00 C ATOM 799 C VAL A 50 0.369 -0.693 6.920 1.00 0.00 C ATOM 800 O VAL A 50 0.234 -1.877 6.611 1.00 0.00 O ATOM 801 CB VAL A 50 0.761 1.249 5.402 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.767 2.309 4.979 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.096 0.619 4.188 1.00 0.00 C ATOM 0 H VAL A 50 2.186 -0.616 4.469 1.00 0.00 H new ATOM 0 HA VAL A 50 2.036 0.656 7.039 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.011 1.733 6.000 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.267 3.062 4.370 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.192 2.781 5.865 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.564 1.844 4.399 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.380 1.396 3.590 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.847 0.107 3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.656 -0.098 4.516 1.00 0.00 H new ATOM 813 N LYS A 51 -0.394 -0.092 7.827 1.00 0.00 N ATOM 814 CA LYS A 51 -1.457 -0.803 8.526 1.00 0.00 C ATOM 815 C LYS A 51 -2.807 -0.556 7.859 1.00 0.00 C ATOM 816 O LYS A 51 -3.169 0.584 7.574 1.00 0.00 O ATOM 817 CB LYS A 51 -1.513 -0.367 9.992 1.00 0.00 C ATOM 818 CG LYS A 51 -2.285 -1.325 10.883 1.00 0.00 C ATOM 819 CD LYS A 51 -3.757 -0.956 10.955 1.00 0.00 C ATOM 820 CE LYS A 51 -4.044 -0.038 12.133 1.00 0.00 C ATOM 821 NZ LYS A 51 -5.462 -0.132 12.578 1.00 0.00 N ATOM 0 H LYS A 51 -0.295 0.887 8.095 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.238 -1.870 8.479 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.496 -0.270 10.372 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.971 0.620 10.051 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.182 -2.341 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.857 -1.316 11.885 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.056 -0.465 10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.356 -1.862 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.385 -0.295 12.963 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.818 0.991 11.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.617 0.509 13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.090 0.138 11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.671 -1.109 12.868 1.00 0.00 H new ATOM 835 N GLY A 52 -3.548 -1.633 7.616 1.00 0.00 N ATOM 836 CA GLY A 52 -4.849 -1.511 6.986 1.00 0.00 C ATOM 837 C GLY A 52 -4.761 -1.483 5.473 1.00 0.00 C ATOM 838 O GLY A 52 -5.779 -1.539 4.783 1.00 0.00 O ATOM 0 H GLY A 52 -3.270 -2.588 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.478 -2.346 7.295 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.334 -0.600 7.335 1.00 0.00 H new ATOM 842 N LYS A 53 -3.541 -1.394 4.954 1.00 0.00 N ATOM 843 CA LYS A 53 -3.323 -1.358 3.513 1.00 0.00 C ATOM 844 C LYS A 53 -2.073 -2.145 3.133 1.00 0.00 C ATOM 845 O LYS A 53 -1.054 -1.582 2.729 1.00 0.00 O ATOM 846 CB LYS A 53 -3.193 0.089 3.032 1.00 0.00 C ATOM 847 CG LYS A 53 -4.480 0.887 3.152 1.00 0.00 C ATOM 848 CD LYS A 53 -5.282 0.849 1.862 1.00 0.00 C ATOM 849 CE LYS A 53 -4.761 1.860 0.852 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.228 3.240 1.157 1.00 0.00 N ATOM 0 H LYS A 53 -2.688 -1.345 5.511 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.184 -1.819 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.412 0.586 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.871 0.090 1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.082 0.487 3.968 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.246 1.921 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.236 -0.152 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.330 1.056 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.671 1.839 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.091 1.578 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.852 3.899 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.267 3.267 1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.892 3.520 2.101 1.00 0.00 H new ATOM 864 N PRO A 54 -2.149 -3.477 3.262 1.00 0.00 N ATOM 865 CA PRO A 54 -1.033 -4.370 2.935 1.00 0.00 C ATOM 866 C PRO A 54 -0.761 -4.432 1.436 1.00 0.00 C ATOM 867 O PRO A 54 -1.687 -4.538 0.631 1.00 0.00 O ATOM 868 CB PRO A 54 -1.505 -5.732 3.450 1.00 0.00 C ATOM 869 CG PRO A 54 -2.992 -5.649 3.432 1.00 0.00 C ATOM 870 CD PRO A 54 -3.331 -4.216 3.737 1.00 0.00 C ATOM 0 HA PRO A 54 -0.097 -4.032 3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.146 -6.542 2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.131 -5.926 4.455 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.388 -5.945 2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.429 -6.319 4.172 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.237 -3.899 3.221 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.500 -4.061 4.803 1.00 0.00 H new ATOM 878 N ALA A 55 0.514 -4.368 1.067 1.00 0.00 N ATOM 879 CA ALA A 55 0.907 -4.419 -0.336 1.00 0.00 C ATOM 880 C ALA A 55 0.273 -5.615 -1.040 1.00 0.00 C ATOM 881 O ALA A 55 0.007 -6.643 -0.418 1.00 0.00 O ATOM 882 CB ALA A 55 2.423 -4.475 -0.458 1.00 0.00 C ATOM 0 H ALA A 55 1.293 -4.281 1.720 1.00 0.00 H new ATOM 0 HA ALA A 55 0.548 -3.512 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.702 -4.513 -1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.858 -3.587 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.796 -5.365 0.048 1.00 0.00 H new ATOM 888 N GLU A 56 0.034 -5.472 -2.339 1.00 0.00 N ATOM 889 CA GLU A 56 -0.570 -6.541 -3.126 1.00 0.00 C ATOM 890 C GLU A 56 0.441 -7.136 -4.102 1.00 0.00 C ATOM 891 O GLU A 56 1.441 -6.504 -4.438 1.00 0.00 O ATOM 892 CB GLU A 56 -1.786 -6.016 -3.892 1.00 0.00 C ATOM 893 CG GLU A 56 -2.780 -7.100 -4.274 1.00 0.00 C ATOM 894 CD GLU A 56 -4.187 -6.565 -4.455 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.448 -5.923 -5.494 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.027 -6.787 -3.558 1.00 0.00 O ATOM 0 H GLU A 56 0.249 -4.627 -2.869 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.892 -7.325 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.293 -5.268 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.445 -5.512 -4.797 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.455 -7.576 -5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.785 -7.871 -3.503 1.00 0.00 H new ATOM 903 N ASN A 57 0.172 -8.357 -4.553 1.00 0.00 N ATOM 904 CA ASN A 57 1.058 -9.039 -5.489 1.00 0.00 C ATOM 905 C ASN A 57 1.068 -8.332 -6.841 1.00 0.00 C ATOM 906 O ASN A 57 2.042 -8.417 -7.590 1.00 0.00 O ATOM 907 CB ASN A 57 0.624 -10.496 -5.666 1.00 0.00 C ATOM 908 CG ASN A 57 -0.768 -10.616 -6.255 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.569 -9.684 -6.181 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.063 -11.769 -6.845 1.00 0.00 N ATOM 0 H ASN A 57 -0.653 -8.894 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 57 2.067 -9.015 -5.078 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.335 -11.008 -6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.652 -11.001 -4.700 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.984 -11.909 -7.260 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.368 -12.515 -6.883 1.00 0.00 H new ATOM 917 N ASP A 58 -0.021 -7.635 -7.146 1.00 0.00 N ATOM 918 CA ASP A 58 -0.137 -6.912 -8.407 1.00 0.00 C ATOM 919 C ASP A 58 1.061 -5.991 -8.618 1.00 0.00 C ATOM 920 O ASP A 58 1.448 -5.707 -9.751 1.00 0.00 O ATOM 921 CB ASP A 58 -1.432 -6.099 -8.436 1.00 0.00 C ATOM 922 CG ASP A 58 -2.657 -6.969 -8.635 1.00 0.00 C ATOM 923 OD1 ASP A 58 -2.936 -7.344 -9.793 1.00 0.00 O ATOM 924 OD2 ASP A 58 -3.338 -7.275 -7.634 1.00 0.00 O ATOM 0 H ASP A 58 -0.836 -7.555 -6.538 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.158 -7.643 -9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.531 -5.545 -7.502 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.378 -5.363 -9.239 1.00 0.00 H new ATOM 929 N VAL A 59 1.644 -5.525 -7.517 1.00 0.00 N ATOM 930 CA VAL A 59 2.798 -4.636 -7.581 1.00 0.00 C ATOM 931 C VAL A 59 3.929 -5.261 -8.389 1.00 0.00 C ATOM 932 O VAL A 59 4.149 -6.471 -8.338 1.00 0.00 O ATOM 933 CB VAL A 59 3.318 -4.290 -6.173 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.583 -3.451 -6.262 1.00 0.00 C ATOM 935 CG2 VAL A 59 2.245 -3.568 -5.372 1.00 0.00 C ATOM 0 H VAL A 59 1.336 -5.749 -6.571 1.00 0.00 H new ATOM 0 HA VAL A 59 2.466 -3.722 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 59 3.562 -5.218 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.935 -3.216 -5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.353 -4.009 -6.796 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.369 -2.526 -6.797 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.629 -3.331 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.968 -2.646 -5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.368 -4.209 -5.278 1.00 0.00 H new ATOM 945 N LYS A 60 4.645 -4.428 -9.136 1.00 0.00 N ATOM 946 CA LYS A 60 5.757 -4.897 -9.955 1.00 0.00 C ATOM 947 C LYS A 60 6.541 -3.722 -10.531 1.00 0.00 C ATOM 948 O LYS A 60 6.165 -2.563 -10.352 1.00 0.00 O ATOM 949 CB LYS A 60 5.241 -5.785 -11.090 1.00 0.00 C ATOM 950 CG LYS A 60 3.962 -5.273 -11.730 1.00 0.00 C ATOM 951 CD LYS A 60 4.058 -5.275 -13.247 1.00 0.00 C ATOM 952 CE LYS A 60 2.710 -5.560 -13.890 1.00 0.00 C ATOM 953 NZ LYS A 60 1.823 -4.363 -13.871 1.00 0.00 N ATOM 0 H LYS A 60 4.475 -3.424 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 60 6.424 -5.480 -9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.013 -5.867 -11.855 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.067 -6.789 -10.704 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.123 -5.895 -11.417 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.758 -4.262 -11.379 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.429 -4.309 -13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.781 -6.026 -13.566 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.860 -5.885 -14.920 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.223 -6.381 -13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.914 -4.598 -14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.659 -4.068 -12.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.276 -3.587 -14.394 1.00 0.00 H new ATOM 967 N LEU A 61 7.632 -4.029 -11.225 1.00 0.00 N ATOM 968 CA LEU A 61 8.469 -2.998 -11.829 1.00 0.00 C ATOM 969 C LEU A 61 7.655 -2.120 -12.774 1.00 0.00 C ATOM 970 O LEU A 61 7.983 -0.954 -12.992 1.00 0.00 O ATOM 971 CB LEU A 61 9.634 -3.638 -12.586 1.00 0.00 C ATOM 972 CG LEU A 61 10.685 -2.676 -13.139 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.753 -2.393 -12.094 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.312 -3.241 -14.405 1.00 0.00 C ATOM 0 H LEU A 61 7.957 -4.983 -11.383 1.00 0.00 H new ATOM 0 HA LEU A 61 8.864 -2.371 -11.030 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.131 -4.343 -11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.228 -4.216 -13.416 1.00 0.00 H new ATOM 0 HG LEU A 61 10.193 -1.736 -13.389 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.492 -1.706 -12.506 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.292 -1.944 -11.214 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.242 -3.325 -11.811 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.058 -2.543 -14.785 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.789 -4.195 -14.180 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.539 -3.391 -15.158 1.00 0.00 H new ATOM 986 N GLY A 62 6.590 -2.688 -13.332 1.00 0.00 N ATOM 987 CA GLY A 62 5.744 -1.942 -14.245 1.00 0.00 C ATOM 988 C GLY A 62 4.598 -1.248 -13.537 1.00 0.00 C ATOM 989 O GLY A 62 3.582 -0.926 -14.154 1.00 0.00 O ATOM 0 H GLY A 62 6.298 -3.651 -13.168 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.346 -1.200 -14.769 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.344 -2.619 -15.000 1.00 0.00 H new ATOM 993 N ALA A 63 4.759 -1.018 -12.238 1.00 0.00 N ATOM 994 CA ALA A 63 3.729 -0.357 -11.446 1.00 0.00 C ATOM 995 C ALA A 63 4.322 0.763 -10.598 1.00 0.00 C ATOM 996 O ALA A 63 3.722 1.828 -10.449 1.00 0.00 O ATOM 997 CB ALA A 63 3.013 -1.368 -10.563 1.00 0.00 C ATOM 0 H ALA A 63 5.593 -1.280 -11.712 1.00 0.00 H new ATOM 0 HA ALA A 63 3.007 0.086 -12.132 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.246 -0.861 -9.977 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.547 -2.131 -11.187 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.732 -1.838 -9.891 1.00 0.00 H new ATOM 1003 N LEU A 64 5.504 0.515 -10.043 1.00 0.00 N ATOM 1004 CA LEU A 64 6.179 1.503 -9.208 1.00 0.00 C ATOM 1005 C LEU A 64 7.675 1.531 -9.500 1.00 0.00 C ATOM 1006 O LEU A 64 8.474 0.953 -8.763 1.00 0.00 O ATOM 1007 CB LEU A 64 5.942 1.196 -7.728 1.00 0.00 C ATOM 1008 CG LEU A 64 5.449 -0.215 -7.406 1.00 0.00 C ATOM 1009 CD1 LEU A 64 6.495 -1.248 -7.793 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.100 -0.334 -5.929 1.00 0.00 C ATOM 0 H LEU A 64 6.014 -0.361 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 64 5.764 2.484 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.874 1.366 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.215 1.910 -7.341 1.00 0.00 H new ATOM 0 HG LEU A 64 4.548 -0.406 -7.989 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.126 -2.246 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.696 -1.180 -8.862 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.414 -1.060 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.751 -1.345 -5.718 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.984 -0.123 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.314 0.380 -5.682 1.00 0.00 H new ATOM 1022 N LYS A 65 8.049 2.209 -10.580 1.00 0.00 N ATOM 1023 CA LYS A 65 9.450 2.317 -10.970 1.00 0.00 C ATOM 1024 C LYS A 65 10.183 3.324 -10.089 1.00 0.00 C ATOM 1025 O LYS A 65 10.856 4.227 -10.589 1.00 0.00 O ATOM 1026 CB LYS A 65 9.562 2.731 -12.439 1.00 0.00 C ATOM 1027 CG LYS A 65 8.777 1.839 -13.384 1.00 0.00 C ATOM 1028 CD LYS A 65 8.668 2.453 -14.769 1.00 0.00 C ATOM 1029 CE LYS A 65 7.701 3.626 -14.785 1.00 0.00 C ATOM 1030 NZ LYS A 65 8.091 4.654 -15.790 1.00 0.00 N ATOM 0 H LYS A 65 7.400 2.692 -11.201 1.00 0.00 H new ATOM 0 HA LYS A 65 9.914 1.340 -10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.211 3.757 -12.546 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.612 2.721 -12.732 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.262 0.865 -13.454 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.779 1.669 -12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.652 2.787 -15.098 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.334 1.696 -15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.696 3.265 -15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.666 4.081 -13.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.407 5.437 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.039 5.017 -15.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.100 4.227 -16.738 1.00 0.00 H new ATOM 1044 N LEU A 66 10.051 3.163 -8.777 1.00 0.00 N ATOM 1045 CA LEU A 66 10.703 4.057 -7.827 1.00 0.00 C ATOM 1046 C LEU A 66 12.199 3.773 -7.750 1.00 0.00 C ATOM 1047 O LEU A 66 12.715 2.905 -8.455 1.00 0.00 O ATOM 1048 CB LEU A 66 10.071 3.909 -6.441 1.00 0.00 C ATOM 1049 CG LEU A 66 9.204 5.076 -5.970 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.000 4.567 -5.192 1.00 0.00 C ATOM 1051 CD2 LEU A 66 10.021 6.039 -5.121 1.00 0.00 C ATOM 0 H LEU A 66 9.498 2.421 -8.347 1.00 0.00 H new ATOM 0 HA LEU A 66 10.565 5.081 -8.175 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.462 3.005 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.869 3.759 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 66 8.843 5.613 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.394 5.412 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.402 3.918 -5.831 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.340 4.006 -4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.387 6.864 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.411 5.514 -4.249 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.850 6.430 -5.710 1.00 0.00 H new ATOM 1063 N LYS A 67 12.892 4.508 -6.887 1.00 0.00 N ATOM 1064 CA LYS A 67 14.329 4.334 -6.714 1.00 0.00 C ATOM 1065 C LYS A 67 14.658 3.910 -5.285 1.00 0.00 C ATOM 1066 O LYS A 67 13.908 4.176 -4.346 1.00 0.00 O ATOM 1067 CB LYS A 67 15.066 5.632 -7.054 1.00 0.00 C ATOM 1068 CG LYS A 67 14.879 6.727 -6.018 1.00 0.00 C ATOM 1069 CD LYS A 67 15.665 7.976 -6.380 1.00 0.00 C ATOM 1070 CE LYS A 67 15.202 8.562 -7.705 1.00 0.00 C ATOM 1071 NZ LYS A 67 15.954 9.798 -8.058 1.00 0.00 N ATOM 0 H LYS A 67 12.481 5.231 -6.296 1.00 0.00 H new ATOM 0 HA LYS A 67 14.658 3.548 -7.393 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.130 5.419 -7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.718 5.995 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.821 6.973 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.200 6.364 -5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.550 8.720 -5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.726 7.735 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.330 7.821 -8.494 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.137 8.788 -7.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.609 10.166 -8.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.812 10.514 -7.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.967 9.577 -8.136 1.00 0.00 H new ATOM 1085 N PRO A 68 15.805 3.237 -5.116 1.00 0.00 N ATOM 1086 CA PRO A 68 16.260 2.764 -3.805 1.00 0.00 C ATOM 1087 C PRO A 68 16.683 3.909 -2.891 1.00 0.00 C ATOM 1088 O PRO A 68 16.894 3.715 -1.695 1.00 0.00 O ATOM 1089 CB PRO A 68 17.461 1.879 -4.144 1.00 0.00 C ATOM 1090 CG PRO A 68 17.961 2.401 -5.447 1.00 0.00 C ATOM 1091 CD PRO A 68 16.748 2.885 -6.192 1.00 0.00 C ATOM 0 HA PRO A 68 15.470 2.244 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.228 1.940 -3.372 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.171 0.831 -4.222 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.675 3.211 -5.295 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.478 1.622 -6.007 1.00 0.00 H new ATOM 0 HD2 PRO A 68 16.979 3.745 -6.821 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.342 2.112 -6.845 1.00 0.00 H new ATOM 1099 N ASN A 69 16.804 5.103 -3.463 1.00 0.00 N ATOM 1100 CA ASN A 69 17.202 6.279 -2.698 1.00 0.00 C ATOM 1101 C ASN A 69 16.306 6.464 -1.477 1.00 0.00 C ATOM 1102 O ASN A 69 16.708 7.071 -0.484 1.00 0.00 O ATOM 1103 CB ASN A 69 17.146 7.529 -3.580 1.00 0.00 C ATOM 1104 CG ASN A 69 17.991 8.662 -3.030 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.476 9.588 -2.404 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.297 8.594 -3.264 1.00 0.00 N ATOM 0 H ASN A 69 16.632 5.281 -4.453 1.00 0.00 H new ATOM 0 HA ASN A 69 18.226 6.129 -2.355 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.489 7.278 -4.584 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.112 7.861 -3.670 1.00 0.00 H new ATOM 0 HD21 ASN A 69 19.916 9.328 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.681 7.807 -3.788 1.00 0.00 H new ATOM 1113 N THR A 70 15.089 5.935 -1.558 1.00 0.00 N ATOM 1114 CA THR A 70 14.135 6.042 -0.461 1.00 0.00 C ATOM 1115 C THR A 70 14.772 5.634 0.862 1.00 0.00 C ATOM 1116 O THR A 70 14.657 6.343 1.863 1.00 0.00 O ATOM 1117 CB THR A 70 12.893 5.166 -0.711 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.251 4.015 -1.482 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.813 5.954 -1.437 1.00 0.00 C ATOM 0 H THR A 70 14.741 5.428 -2.372 1.00 0.00 H new ATOM 0 HA THR A 70 13.829 7.087 -0.407 1.00 0.00 H new ATOM 0 HB THR A 70 12.501 4.847 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.289 4.256 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.946 5.315 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.521 6.813 -0.833 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.198 6.300 -2.397 1.00 0.00 H new ATOM 1127 N LYS A 71 15.445 4.489 0.862 1.00 0.00 N ATOM 1128 CA LYS A 71 16.103 3.987 2.063 1.00 0.00 C ATOM 1129 C LYS A 71 15.092 3.761 3.183 1.00 0.00 C ATOM 1130 O LYS A 71 14.668 4.707 3.849 1.00 0.00 O ATOM 1131 CB LYS A 71 17.182 4.968 2.526 1.00 0.00 C ATOM 1132 CG LYS A 71 18.553 4.689 1.933 1.00 0.00 C ATOM 1133 CD LYS A 71 19.630 5.528 2.598 1.00 0.00 C ATOM 1134 CE LYS A 71 19.474 7.004 2.262 1.00 0.00 C ATOM 1135 NZ LYS A 71 19.838 7.291 0.847 1.00 0.00 N ATOM 0 H LYS A 71 15.549 3.890 0.043 1.00 0.00 H new ATOM 0 HA LYS A 71 16.569 3.032 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.879 5.981 2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 71 17.251 4.932 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.792 3.632 2.048 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.537 4.898 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.583 5.393 3.679 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.612 5.182 2.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.444 7.311 2.441 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.103 7.596 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 19.883 8.320 0.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.765 6.870 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.120 6.883 0.214 1.00 0.00 H new ATOM 1149 N ILE A 72 14.712 2.505 3.386 1.00 0.00 N ATOM 1150 CA ILE A 72 13.753 2.156 4.428 1.00 0.00 C ATOM 1151 C ILE A 72 14.445 1.482 5.608 1.00 0.00 C ATOM 1152 O ILE A 72 15.433 0.770 5.436 1.00 0.00 O ATOM 1153 CB ILE A 72 12.653 1.223 3.890 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.581 0.993 4.958 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.254 -0.101 3.442 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.826 -0.236 5.806 1.00 0.00 C ATOM 0 H ILE A 72 15.053 1.711 2.843 1.00 0.00 H new ATOM 0 HA ILE A 72 13.296 3.087 4.762 1.00 0.00 H new ATOM 0 HB ILE A 72 12.184 1.698 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.532 1.868 5.606 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.610 0.901 4.472 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.464 -0.750 3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 72 13.984 0.079 2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.745 -0.582 4.288 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.027 -0.336 6.541 1.00 0.00 H new ATOM 0 HD12 ILE A 72 11.845 -1.120 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.782 -0.139 6.320 1.00 0.00 H new ATOM 1168 N MET A 73 13.916 1.710 6.805 1.00 0.00 N ATOM 1169 CA MET A 73 14.481 1.122 8.014 1.00 0.00 C ATOM 1170 C MET A 73 13.500 0.143 8.652 1.00 0.00 C ATOM 1171 O MET A 73 12.305 0.420 8.746 1.00 0.00 O ATOM 1172 CB MET A 73 14.849 2.218 9.016 1.00 0.00 C ATOM 1173 CG MET A 73 16.300 2.663 8.923 1.00 0.00 C ATOM 1174 SD MET A 73 16.792 3.716 10.302 1.00 0.00 S ATOM 1175 CE MET A 73 16.051 5.274 9.820 1.00 0.00 C ATOM 0 H MET A 73 13.097 2.297 6.964 1.00 0.00 H new ATOM 0 HA MET A 73 15.383 0.576 7.735 1.00 0.00 H new ATOM 0 HB2 MET A 73 14.202 3.080 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.652 1.857 10.026 1.00 0.00 H new ATOM 0 HG2 MET A 73 16.944 1.784 8.894 1.00 0.00 H new ATOM 0 HG3 MET A 73 16.452 3.201 7.987 1.00 0.00 H new ATOM 0 HE1 MET A 73 16.268 6.029 10.575 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.462 5.591 8.861 1.00 0.00 H new ATOM 0 HE3 MET A 73 14.972 5.151 9.729 1.00 0.00 H new ATOM 1185 N MET A 74 14.013 -1.003 9.088 1.00 0.00 N ATOM 1186 CA MET A 74 13.182 -2.022 9.717 1.00 0.00 C ATOM 1187 C MET A 74 13.490 -2.131 11.207 1.00 0.00 C ATOM 1188 O MET A 74 14.627 -2.390 11.598 1.00 0.00 O ATOM 1189 CB MET A 74 13.398 -3.377 9.040 1.00 0.00 C ATOM 1190 CG MET A 74 14.862 -3.727 8.835 1.00 0.00 C ATOM 1191 SD MET A 74 15.101 -5.438 8.318 1.00 0.00 S ATOM 1192 CE MET A 74 16.777 -5.370 7.688 1.00 0.00 C ATOM 0 H MET A 74 15.000 -1.249 9.017 1.00 0.00 H new ATOM 0 HA MET A 74 12.139 -1.727 9.600 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.928 -4.154 9.643 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.894 -3.375 8.073 1.00 0.00 H new ATOM 0 HG2 MET A 74 15.289 -3.062 8.085 1.00 0.00 H new ATOM 0 HG3 MET A 74 15.407 -3.552 9.763 1.00 0.00 H new ATOM 0 HE1 MET A 74 17.172 -6.382 7.596 1.00 0.00 H new ATOM 0 HE2 MET A 74 16.779 -4.889 6.710 1.00 0.00 H new ATOM 0 HE3 MET A 74 17.401 -4.798 8.375 1.00 0.00 H new ATOM 1202 N MET A 75 12.468 -1.931 12.034 1.00 0.00 N ATOM 1203 CA MET A 75 12.631 -2.008 13.481 1.00 0.00 C ATOM 1204 C MET A 75 11.786 -3.136 14.064 1.00 0.00 C ATOM 1205 O MET A 75 10.702 -3.433 13.565 1.00 0.00 O ATOM 1206 CB MET A 75 12.245 -0.677 14.131 1.00 0.00 C ATOM 1207 CG MET A 75 12.026 -0.775 15.632 1.00 0.00 C ATOM 1208 SD MET A 75 12.328 0.787 16.480 1.00 0.00 S ATOM 1209 CE MET A 75 11.154 1.856 15.651 1.00 0.00 C ATOM 0 H MET A 75 11.520 -1.715 11.727 1.00 0.00 H new ATOM 0 HA MET A 75 13.680 -2.217 13.693 1.00 0.00 H new ATOM 0 HB2 MET A 75 13.028 0.055 13.933 1.00 0.00 H new ATOM 0 HB3 MET A 75 11.334 -0.304 13.663 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.003 -1.098 15.826 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.685 -1.540 16.042 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.692 2.603 15.067 1.00 0.00 H new ATOM 0 HE2 MET A 75 10.525 1.261 14.988 1.00 0.00 H new ATOM 0 HE3 MET A 75 10.530 2.355 16.392 1.00 0.00 H new ATOM 1219 N GLY A 76 12.290 -3.760 15.124 1.00 0.00 N ATOM 1220 CA GLY A 76 11.568 -4.849 15.757 1.00 0.00 C ATOM 1221 C GLY A 76 11.441 -6.061 14.856 1.00 0.00 C ATOM 1222 O GLY A 76 10.666 -6.976 15.138 1.00 0.00 O ATOM 0 H GLY A 76 13.185 -3.531 15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.080 -5.135 16.676 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.573 -4.505 16.041 1.00 0.00 H new ATOM 1226 N THR A 77 12.201 -6.069 13.765 1.00 0.00 N ATOM 1227 CA THR A 77 12.168 -7.176 12.818 1.00 0.00 C ATOM 1228 C THR A 77 13.142 -8.276 13.224 1.00 0.00 C ATOM 1229 O THR A 77 14.347 -8.046 13.325 1.00 0.00 O ATOM 1230 CB THR A 77 12.509 -6.705 11.392 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.500 -5.673 11.440 1.00 0.00 O ATOM 1232 CG2 THR A 77 11.267 -6.190 10.680 1.00 0.00 C ATOM 0 H THR A 77 12.847 -5.320 13.516 1.00 0.00 H new ATOM 0 HA THR A 77 11.152 -7.572 12.829 1.00 0.00 H new ATOM 0 HB THR A 77 12.900 -7.557 10.836 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.043 -5.703 10.625 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.533 -5.863 9.675 1.00 0.00 H new ATOM 0 HG22 THR A 77 10.526 -6.987 10.618 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.851 -5.350 11.236 1.00 0.00 H new