USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=16 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.097 (180deg=-0.159) USER MOD Single : A 5 MET CE :methyl -129:sc= -4.7! (180deg=-7.58!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0.19) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 44:sc= 0.47 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 18 THR OG1 : rot -32:sc= -2.04 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -150:sc= -0.0668 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -21:sc= 0.43 USER MOD Single : A 36 THR OG1 : rot -54:sc= 0.425 USER MOD Single : A 43 GLN : amide:sc= -5.57! C(o=-5.6!,f=-7.7!) USER MOD Single : A 44 LYS NZ :NH3+ 150:sc= -0.168 (180deg=-0.758) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= -0.0049 (180deg=-0.0049) 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= -0.505 X(o=-0.51,f=-0.88) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc=-0.00718 (180deg=-0.079) 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=-0.34) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.16 USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0449) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 174:sc= 0 (180deg=-0.0581) USER MOD Single : A 77 THR OG1 : rot 43:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.718 0.024 0.852 1.00 0.00 N ATOM 2 CA MET A 1 2.135 -0.306 -0.506 1.00 0.00 C ATOM 3 C MET A 1 3.550 -0.876 -0.516 1.00 0.00 C ATOM 4 O MET A 1 4.201 -0.964 0.525 1.00 0.00 O ATOM 5 CB MET A 1 2.066 0.934 -1.399 1.00 0.00 C ATOM 6 CG MET A 1 0.660 1.486 -1.565 1.00 0.00 C ATOM 7 SD MET A 1 0.595 2.895 -2.688 1.00 0.00 S ATOM 8 CE MET A 1 -1.009 3.580 -2.279 1.00 0.00 C ATOM 0 H1 MET A 1 0.807 -0.434 1.057 1.00 0.00 H new ATOM 0 H2 MET A 1 2.434 -0.313 1.527 1.00 0.00 H new ATOM 0 H3 MET A 1 1.615 1.055 0.943 1.00 0.00 H new ATOM 0 HA MET A 1 1.454 -1.063 -0.895 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.705 1.710 -0.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.469 0.687 -2.381 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.006 0.698 -1.939 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.274 1.785 -0.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.196 4.461 -2.893 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.782 2.835 -2.469 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.027 3.861 -1.226 1.00 0.00 H new ATOM 18 N ALA A 2 4.019 -1.262 -1.698 1.00 0.00 N ATOM 19 CA ALA A 2 5.357 -1.822 -1.842 1.00 0.00 C ATOM 20 C ALA A 2 6.226 -0.944 -2.737 1.00 0.00 C ATOM 21 O ALA A 2 5.985 -0.836 -3.940 1.00 0.00 O ATOM 22 CB ALA A 2 5.280 -3.235 -2.401 1.00 0.00 C ATOM 0 H ALA A 2 3.492 -1.197 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 2 5.817 -1.858 -0.855 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.286 -3.641 -2.503 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.702 -3.863 -1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 2 4.796 -3.214 -3.377 1.00 0.00 H new ATOM 28 N LEU A 3 7.236 -0.319 -2.143 1.00 0.00 N ATOM 29 CA LEU A 3 8.141 0.551 -2.886 1.00 0.00 C ATOM 30 C LEU A 3 9.531 -0.069 -2.989 1.00 0.00 C ATOM 31 O LEU A 3 10.053 -0.645 -2.034 1.00 0.00 O ATOM 32 CB LEU A 3 8.230 1.921 -2.212 1.00 0.00 C ATOM 33 CG LEU A 3 6.913 2.506 -1.702 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.612 1.998 -0.300 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.961 4.026 -1.721 1.00 0.00 C ATOM 0 H LEU A 3 7.449 -0.398 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 3 7.743 0.673 -3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.920 1.846 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.666 2.625 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 3 6.112 2.180 -2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.671 2.425 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.534 0.911 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.415 2.294 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.015 4.425 -1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.773 4.372 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.130 4.372 -2.741 1.00 0.00 H new ATOM 47 N PRO A 4 10.147 0.051 -4.174 1.00 0.00 N ATOM 48 CA PRO A 4 11.485 -0.489 -4.429 1.00 0.00 C ATOM 49 C PRO A 4 12.571 0.273 -3.677 1.00 0.00 C ATOM 50 O PRO A 4 13.216 1.163 -4.232 1.00 0.00 O ATOM 51 CB PRO A 4 11.657 -0.312 -5.940 1.00 0.00 C ATOM 52 CG PRO A 4 10.756 0.820 -6.294 1.00 0.00 C ATOM 53 CD PRO A 4 9.584 0.725 -5.356 1.00 0.00 C ATOM 0 HA PRO A 4 11.578 -1.522 -4.093 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.693 -0.089 -6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.383 -1.219 -6.479 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.268 1.776 -6.183 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.432 0.751 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.188 1.709 -5.107 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.765 0.153 -5.793 1.00 0.00 H new ATOM 61 N MET A 5 12.768 -0.082 -2.412 1.00 0.00 N ATOM 62 CA MET A 5 13.778 0.568 -1.584 1.00 0.00 C ATOM 63 C MET A 5 14.641 -0.465 -0.868 1.00 0.00 C ATOM 64 O MET A 5 14.326 -1.655 -0.864 1.00 0.00 O ATOM 65 CB MET A 5 13.113 1.492 -0.562 1.00 0.00 C ATOM 66 CG MET A 5 11.853 2.167 -1.081 1.00 0.00 C ATOM 67 SD MET A 5 11.172 3.359 0.088 1.00 0.00 S ATOM 68 CE MET A 5 9.993 2.335 0.965 1.00 0.00 C ATOM 0 H MET A 5 12.242 -0.816 -1.938 1.00 0.00 H new ATOM 0 HA MET A 5 14.419 1.161 -2.236 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.866 0.916 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.827 2.258 -0.259 1.00 0.00 H new ATOM 0 HG2 MET A 5 12.077 2.672 -2.020 1.00 0.00 H new ATOM 0 HG3 MET A 5 11.102 1.408 -1.299 1.00 0.00 H new ATOM 0 HE1 MET A 5 9.022 2.830 0.980 1.00 0.00 H new ATOM 0 HE2 MET A 5 9.902 1.372 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 5 10.336 2.179 1.988 1.00 0.00 H new ATOM 78 N ILE A 6 15.730 -0.002 -0.263 1.00 0.00 N ATOM 79 CA ILE A 6 16.637 -0.887 0.457 1.00 0.00 C ATOM 80 C ILE A 6 16.518 -0.689 1.964 1.00 0.00 C ATOM 81 O ILE A 6 16.406 0.438 2.446 1.00 0.00 O ATOM 82 CB ILE A 6 18.101 -0.657 0.035 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.273 -0.939 -1.459 1.00 0.00 C ATOM 84 CG2 ILE A 6 19.033 -1.536 0.856 1.00 0.00 C ATOM 85 CD1 ILE A 6 19.532 -0.338 -2.045 1.00 0.00 C ATOM 0 H ILE A 6 16.005 0.980 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 6 16.350 -1.907 0.203 1.00 0.00 H new ATOM 0 HB ILE A 6 18.359 0.386 0.221 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.286 -2.017 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.409 -0.548 -1.996 1.00 0.00 H new ATOM 0 HG21 ILE A 6 20.064 -1.362 0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.926 -1.292 1.913 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.778 -2.584 0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.589 -0.577 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 19.512 0.744 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.403 -0.748 -1.533 1.00 0.00 H new ATOM 97 N VAL A 7 16.544 -1.793 2.705 1.00 0.00 N ATOM 98 CA VAL A 7 16.442 -1.741 4.158 1.00 0.00 C ATOM 99 C VAL A 7 17.807 -1.924 4.812 1.00 0.00 C ATOM 100 O VAL A 7 18.567 -2.821 4.448 1.00 0.00 O ATOM 101 CB VAL A 7 15.480 -2.819 4.692 1.00 0.00 C ATOM 102 CG1 VAL A 7 15.830 -4.181 4.112 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.510 -2.854 6.213 1.00 0.00 C ATOM 0 H VAL A 7 16.635 -2.734 2.322 1.00 0.00 H new ATOM 0 HA VAL A 7 16.050 -0.756 4.413 1.00 0.00 H new ATOM 0 HB VAL A 7 14.468 -2.566 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 7 15.140 -4.930 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.752 -4.145 3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 7 16.849 -4.446 4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 7 14.824 -3.621 6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.521 -3.082 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 7 15.207 -1.883 6.605 1.00 0.00 H new ATOM 113 N LYS A 8 18.112 -1.067 5.781 1.00 0.00 N ATOM 114 CA LYS A 8 19.385 -1.134 6.489 1.00 0.00 C ATOM 115 C LYS A 8 19.231 -0.660 7.931 1.00 0.00 C ATOM 116 O LYS A 8 19.605 0.464 8.267 1.00 0.00 O ATOM 117 CB LYS A 8 20.436 -0.285 5.771 1.00 0.00 C ATOM 118 CG LYS A 8 21.863 -0.742 6.024 1.00 0.00 C ATOM 119 CD LYS A 8 22.464 -0.049 7.234 1.00 0.00 C ATOM 120 CE LYS A 8 23.980 -0.176 7.254 1.00 0.00 C ATOM 121 NZ LYS A 8 24.577 0.494 8.442 1.00 0.00 N ATOM 0 H LYS A 8 17.495 -0.318 6.094 1.00 0.00 H new ATOM 0 HA LYS A 8 19.712 -2.174 6.500 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.240 -0.309 4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.333 0.752 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 8 21.879 -1.821 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 8 22.473 -0.535 5.145 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.186 1.005 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.050 -0.481 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.256 -1.230 7.255 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.393 0.261 6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.611 0.385 8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.335 1.505 8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 24.202 0.060 9.310 1.00 0.00 H new ATOM 135 N TRP A 9 18.682 -1.523 8.777 1.00 0.00 N ATOM 136 CA TRP A 9 18.480 -1.191 10.183 1.00 0.00 C ATOM 137 C TRP A 9 19.636 -1.706 11.034 1.00 0.00 C ATOM 138 O TRP A 9 19.466 -1.997 12.218 1.00 0.00 O ATOM 139 CB TRP A 9 17.160 -1.780 10.683 1.00 0.00 C ATOM 140 CG TRP A 9 16.695 -1.182 11.977 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.357 -1.854 13.116 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.516 0.210 12.261 1.00 0.00 C ATOM 143 NE1 TRP A 9 15.978 -0.965 14.092 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.067 0.308 13.593 1.00 0.00 C ATOM 145 CE3 TRP A 9 16.692 1.382 11.522 1.00 0.00 C ATOM 146 CZ2 TRP A 9 15.793 1.532 14.198 1.00 0.00 C ATOM 147 CZ3 TRP A 9 16.418 2.596 12.123 1.00 0.00 C ATOM 148 CH2 TRP A 9 15.974 2.664 13.450 1.00 0.00 C ATOM 0 H TRP A 9 18.369 -2.458 8.515 1.00 0.00 H new ATOM 0 HA TRP A 9 18.442 -0.105 10.273 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.392 -1.628 9.924 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.275 -2.857 10.809 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.384 -2.927 13.233 1.00 0.00 H new ATOM 0 HE1 TRP A 9 15.679 -1.212 15.035 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.036 1.340 10.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 15.450 1.586 15.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 16.548 3.508 11.560 1.00 0.00 H new ATOM 0 HH2 TRP A 9 15.771 3.628 13.891 1.00 0.00 H new ATOM 159 N GLY A 10 20.812 -1.817 10.424 1.00 0.00 N ATOM 160 CA GLY A 10 21.978 -2.297 11.142 1.00 0.00 C ATOM 161 C GLY A 10 22.192 -3.788 10.970 1.00 0.00 C ATOM 162 O GLY A 10 22.700 -4.235 9.943 1.00 0.00 O ATOM 0 H GLY A 10 20.978 -1.583 9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 10 22.862 -1.764 10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 10 21.867 -2.069 12.202 1.00 0.00 H new ATOM 166 N GLY A 11 21.803 -4.560 11.981 1.00 0.00 N ATOM 167 CA GLY A 11 21.965 -6.001 11.918 1.00 0.00 C ATOM 168 C GLY A 11 21.377 -6.595 10.653 1.00 0.00 C ATOM 169 O GLY A 11 22.026 -7.392 9.975 1.00 0.00 O ATOM 0 H GLY A 11 21.379 -4.213 12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.025 -6.247 11.973 1.00 0.00 H new ATOM 0 HA3 GLY A 11 21.487 -6.456 12.786 1.00 0.00 H new ATOM 173 N GLN A 12 20.145 -6.209 10.337 1.00 0.00 N ATOM 174 CA GLN A 12 19.470 -6.712 9.147 1.00 0.00 C ATOM 175 C GLN A 12 19.552 -5.702 8.006 1.00 0.00 C ATOM 176 O GLN A 12 19.109 -4.562 8.142 1.00 0.00 O ATOM 177 CB GLN A 12 18.006 -7.027 9.460 1.00 0.00 C ATOM 178 CG GLN A 12 17.829 -8.115 10.506 1.00 0.00 C ATOM 179 CD GLN A 12 16.619 -7.883 11.390 1.00 0.00 C ATOM 180 OE1 GLN A 12 16.590 -6.946 12.188 1.00 0.00 O ATOM 181 NE2 GLN A 12 15.612 -8.738 11.253 1.00 0.00 N ATOM 0 H GLN A 12 19.595 -5.550 10.888 1.00 0.00 H new ATOM 0 HA GLN A 12 19.973 -7.627 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 12 17.513 -6.118 9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 12 17.504 -7.332 8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 12 17.731 -9.080 10.008 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.723 -8.166 11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.679 -9.501 10.579 1.00 0.00 H new ATOM 0 HE22 GLN A 12 14.772 -8.632 11.822 1.00 0.00 H new ATOM 190 N GLU A 13 20.123 -6.130 6.884 1.00 0.00 N ATOM 191 CA GLU A 13 20.264 -5.261 5.721 1.00 0.00 C ATOM 192 C GLU A 13 19.913 -6.009 4.438 1.00 0.00 C ATOM 193 O GLU A 13 20.785 -6.578 3.781 1.00 0.00 O ATOM 194 CB GLU A 13 21.691 -4.717 5.634 1.00 0.00 C ATOM 195 CG GLU A 13 21.940 -3.856 4.407 1.00 0.00 C ATOM 196 CD GLU A 13 23.233 -3.069 4.499 1.00 0.00 C ATOM 197 OE1 GLU A 13 23.795 -2.980 5.611 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.683 -2.542 3.460 1.00 0.00 O ATOM 0 H GLU A 13 20.495 -7.071 6.756 1.00 0.00 H new ATOM 0 HA GLU A 13 19.572 -4.427 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 13 21.902 -4.130 6.528 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.390 -5.553 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.968 -4.491 3.522 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.107 -3.165 4.277 1.00 0.00 H new ATOM 205 N TYR A 14 18.632 -6.003 4.089 1.00 0.00 N ATOM 206 CA TYR A 14 18.165 -6.683 2.886 1.00 0.00 C ATOM 207 C TYR A 14 17.816 -5.678 1.793 1.00 0.00 C ATOM 208 O TYR A 14 18.086 -4.484 1.922 1.00 0.00 O ATOM 209 CB TYR A 14 16.945 -7.549 3.206 1.00 0.00 C ATOM 210 CG TYR A 14 17.128 -9.007 2.850 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.196 -9.738 3.356 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.233 -9.654 2.006 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.367 -11.070 3.033 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.396 -10.986 1.678 1.00 0.00 C ATOM 215 CZ TYR A 14 17.464 -11.690 2.194 1.00 0.00 C ATOM 216 OH TYR A 14 17.631 -13.016 1.869 1.00 0.00 O ATOM 0 H TYR A 14 17.898 -5.535 4.621 1.00 0.00 H new ATOM 0 HA TYR A 14 18.971 -7.321 2.524 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.722 -7.469 4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.081 -7.158 2.668 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.905 -9.256 4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.396 -9.106 1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.203 -11.623 3.435 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.691 -11.474 1.021 1.00 0.00 H new ATOM 0 HH TYR A 14 16.909 -13.300 1.270 1.00 0.00 H new ATOM 226 N SER A 15 17.213 -6.171 0.715 1.00 0.00 N ATOM 227 CA SER A 15 16.829 -5.318 -0.403 1.00 0.00 C ATOM 228 C SER A 15 15.336 -5.436 -0.689 1.00 0.00 C ATOM 229 O SER A 15 14.864 -6.467 -1.171 1.00 0.00 O ATOM 230 CB SER A 15 17.631 -5.688 -1.653 1.00 0.00 C ATOM 231 OG SER A 15 17.468 -7.058 -1.975 1.00 0.00 O ATOM 0 H SER A 15 16.980 -7.157 0.593 1.00 0.00 H new ATOM 0 HA SER A 15 17.048 -4.285 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.307 -5.073 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.687 -5.473 -1.489 1.00 0.00 H new ATOM 0 HG SER A 15 16.523 -7.304 -1.889 1.00 0.00 H new ATOM 237 N VAL A 16 14.596 -4.373 -0.389 1.00 0.00 N ATOM 238 CA VAL A 16 13.155 -4.356 -0.614 1.00 0.00 C ATOM 239 C VAL A 16 12.818 -3.738 -1.967 1.00 0.00 C ATOM 240 O VAL A 16 11.855 -2.981 -2.093 1.00 0.00 O ATOM 241 CB VAL A 16 12.423 -3.574 0.492 1.00 0.00 C ATOM 242 CG1 VAL A 16 10.935 -3.886 0.471 1.00 0.00 C ATOM 243 CG2 VAL A 16 13.024 -3.891 1.854 1.00 0.00 C ATOM 0 H VAL A 16 14.971 -3.512 0.010 1.00 0.00 H new ATOM 0 HA VAL A 16 12.820 -5.393 -0.597 1.00 0.00 H new ATOM 0 HB VAL A 16 12.548 -2.508 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.434 -3.324 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.518 -3.605 -0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.785 -4.953 0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 16 12.495 -3.330 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 16 12.930 -4.958 2.053 1.00 0.00 H new ATOM 0 HG23 VAL A 16 14.078 -3.612 1.861 1.00 0.00 H new ATOM 253 N THR A 17 13.616 -4.067 -2.977 1.00 0.00 N ATOM 254 CA THR A 17 13.403 -3.544 -4.321 1.00 0.00 C ATOM 255 C THR A 17 12.146 -4.134 -4.948 1.00 0.00 C ATOM 256 O THR A 17 11.482 -4.984 -4.353 1.00 0.00 O ATOM 257 CB THR A 17 14.607 -3.839 -5.236 1.00 0.00 C ATOM 258 OG1 THR A 17 14.442 -3.171 -6.492 1.00 0.00 O ATOM 259 CG2 THR A 17 14.756 -5.335 -5.467 1.00 0.00 C ATOM 0 H THR A 17 14.416 -4.693 -2.890 1.00 0.00 H new ATOM 0 HA THR A 17 13.285 -2.465 -4.225 1.00 0.00 H new ATOM 0 HB THR A 17 15.508 -3.472 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.212 -3.362 -7.068 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.612 -5.519 -6.116 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.910 -5.837 -4.512 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.853 -5.722 -5.939 1.00 0.00 H new ATOM 267 N THR A 18 11.821 -3.679 -6.154 1.00 0.00 N ATOM 268 CA THR A 18 10.642 -4.162 -6.862 1.00 0.00 C ATOM 269 C THR A 18 10.995 -5.317 -7.792 1.00 0.00 C ATOM 270 O THR A 18 10.113 -5.950 -8.375 1.00 0.00 O ATOM 271 CB THR A 18 9.981 -3.040 -7.683 1.00 0.00 C ATOM 272 OG1 THR A 18 8.800 -3.533 -8.325 1.00 0.00 O ATOM 273 CG2 THR A 18 10.943 -2.495 -8.729 1.00 0.00 C ATOM 0 H THR A 18 12.358 -2.976 -6.661 1.00 0.00 H new ATOM 0 HA THR A 18 9.939 -4.510 -6.105 1.00 0.00 H new ATOM 0 HB THR A 18 9.714 -2.232 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.922 -4.478 -8.553 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.453 -1.704 -9.296 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.828 -2.093 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.238 -3.297 -9.405 1.00 0.00 H new ATOM 281 N LEU A 19 12.288 -5.588 -7.929 1.00 0.00 N ATOM 282 CA LEU A 19 12.757 -6.669 -8.789 1.00 0.00 C ATOM 283 C LEU A 19 12.464 -6.364 -10.254 1.00 0.00 C ATOM 284 O LEU A 19 12.007 -5.273 -10.593 1.00 0.00 O ATOM 285 CB LEU A 19 12.097 -7.989 -8.388 1.00 0.00 C ATOM 286 CG LEU A 19 11.920 -8.223 -6.888 1.00 0.00 C ATOM 287 CD1 LEU A 19 10.965 -9.379 -6.637 1.00 0.00 C ATOM 288 CD2 LEU A 19 13.265 -8.486 -6.226 1.00 0.00 C ATOM 0 H LEU A 19 13.031 -5.074 -7.455 1.00 0.00 H new ATOM 0 HA LEU A 19 13.836 -6.758 -8.665 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.117 -8.040 -8.861 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.691 -8.807 -8.795 1.00 0.00 H new ATOM 0 HG LEU A 19 11.491 -7.323 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.851 -9.531 -5.564 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.994 -9.150 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 11.364 -10.286 -7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 19 13.119 -8.650 -5.158 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.722 -9.370 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.918 -7.626 -6.375 1.00 0.00 H new ATOM 300 N SER A 20 12.729 -7.338 -11.120 1.00 0.00 N ATOM 301 CA SER A 20 12.495 -7.174 -12.550 1.00 0.00 C ATOM 302 C SER A 20 11.012 -7.317 -12.878 1.00 0.00 C ATOM 303 O SER A 20 10.237 -7.840 -12.078 1.00 0.00 O ATOM 304 CB SER A 20 13.306 -8.201 -13.342 1.00 0.00 C ATOM 305 OG SER A 20 14.680 -7.857 -13.367 1.00 0.00 O ATOM 0 H SER A 20 13.106 -8.248 -10.856 1.00 0.00 H new ATOM 0 HA SER A 20 12.816 -6.172 -12.833 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.183 -9.188 -12.896 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.925 -8.262 -14.361 1.00 0.00 H new ATOM 0 HG SER A 20 15.176 -8.530 -13.878 1.00 0.00 H new ATOM 311 N GLU A 21 10.625 -6.849 -14.061 1.00 0.00 N ATOM 312 CA GLU A 21 9.235 -6.924 -14.494 1.00 0.00 C ATOM 313 C GLU A 21 8.722 -8.360 -14.430 1.00 0.00 C ATOM 314 O GLU A 21 7.566 -8.603 -14.084 1.00 0.00 O ATOM 315 CB GLU A 21 9.092 -6.384 -15.918 1.00 0.00 C ATOM 316 CG GLU A 21 10.079 -6.990 -16.902 1.00 0.00 C ATOM 317 CD GLU A 21 9.851 -6.516 -18.324 1.00 0.00 C ATOM 318 OE1 GLU A 21 8.909 -5.726 -18.543 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.615 -6.936 -19.218 1.00 0.00 O ATOM 0 H GLU A 21 11.254 -6.414 -14.736 1.00 0.00 H new ATOM 0 HA GLU A 21 8.637 -6.312 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.078 -6.575 -16.270 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.226 -5.302 -15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.094 -6.735 -16.596 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.999 -8.077 -16.868 1.00 0.00 H new ATOM 326 N ASP A 22 9.591 -9.308 -14.765 1.00 0.00 N ATOM 327 CA ASP A 22 9.227 -10.720 -14.746 1.00 0.00 C ATOM 328 C ASP A 22 8.772 -11.144 -13.353 1.00 0.00 C ATOM 329 O ASP A 22 7.812 -11.902 -13.207 1.00 0.00 O ATOM 330 CB ASP A 22 10.410 -11.580 -15.193 1.00 0.00 C ATOM 331 CG ASP A 22 11.032 -11.083 -16.483 1.00 0.00 C ATOM 332 OD1 ASP A 22 10.331 -11.080 -17.517 1.00 0.00 O ATOM 333 OD2 ASP A 22 12.220 -10.697 -16.460 1.00 0.00 O ATOM 0 H ASP A 22 10.552 -9.124 -15.053 1.00 0.00 H new ATOM 0 HA ASP A 22 8.399 -10.866 -15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.166 -11.589 -14.408 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.077 -12.609 -15.326 1.00 0.00 H new ATOM 338 N ASP A 23 9.467 -10.653 -12.333 1.00 0.00 N ATOM 339 CA ASP A 23 9.134 -10.981 -10.952 1.00 0.00 C ATOM 340 C ASP A 23 8.092 -10.013 -10.400 1.00 0.00 C ATOM 341 O ASP A 23 7.620 -9.121 -11.106 1.00 0.00 O ATOM 342 CB ASP A 23 10.391 -10.948 -10.081 1.00 0.00 C ATOM 343 CG ASP A 23 11.457 -11.911 -10.567 1.00 0.00 C ATOM 344 OD1 ASP A 23 11.389 -13.103 -10.204 1.00 0.00 O ATOM 345 OD2 ASP A 23 12.360 -11.471 -11.309 1.00 0.00 O ATOM 0 H ASP A 23 10.265 -10.026 -12.437 1.00 0.00 H new ATOM 0 HA ASP A 23 8.715 -11.987 -10.934 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.796 -9.936 -10.071 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.124 -11.194 -9.053 1.00 0.00 H new ATOM 350 N THR A 24 7.736 -10.195 -9.132 1.00 0.00 N ATOM 351 CA THR A 24 6.748 -9.341 -8.485 1.00 0.00 C ATOM 352 C THR A 24 7.056 -9.171 -7.002 1.00 0.00 C ATOM 353 O THR A 24 7.988 -9.779 -6.477 1.00 0.00 O ATOM 354 CB THR A 24 5.325 -9.909 -8.640 1.00 0.00 C ATOM 355 OG1 THR A 24 5.380 -11.332 -8.792 1.00 0.00 O ATOM 356 CG2 THR A 24 4.625 -9.293 -9.842 1.00 0.00 C ATOM 0 H THR A 24 8.118 -10.927 -8.533 1.00 0.00 H new ATOM 0 HA THR A 24 6.799 -8.370 -8.978 1.00 0.00 H new ATOM 0 HB THR A 24 4.758 -9.661 -7.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.624 -11.632 -9.338 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.622 -9.709 -9.931 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.559 -8.213 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.192 -9.515 -10.746 1.00 0.00 H new ATOM 364 N VAL A 25 6.266 -8.339 -6.330 1.00 0.00 N ATOM 365 CA VAL A 25 6.452 -8.091 -4.905 1.00 0.00 C ATOM 366 C VAL A 25 6.153 -9.340 -4.085 1.00 0.00 C ATOM 367 O VAL A 25 6.685 -9.520 -2.989 1.00 0.00 O ATOM 368 CB VAL A 25 5.554 -6.940 -4.414 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.591 -6.844 -2.896 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.979 -5.625 -5.050 1.00 0.00 C ATOM 0 H VAL A 25 5.491 -7.825 -6.750 1.00 0.00 H new ATOM 0 HA VAL A 25 7.496 -7.812 -4.767 1.00 0.00 H new ATOM 0 HB VAL A 25 4.528 -7.149 -4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.951 -6.025 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.235 -7.779 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.614 -6.659 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.334 -4.823 -4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.012 -5.408 -4.780 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.895 -5.701 -6.134 1.00 0.00 H new ATOM 380 N LEU A 26 5.297 -10.202 -4.623 1.00 0.00 N ATOM 381 CA LEU A 26 4.926 -11.438 -3.941 1.00 0.00 C ATOM 382 C LEU A 26 6.156 -12.291 -3.651 1.00 0.00 C ATOM 383 O LEU A 26 6.230 -12.962 -2.622 1.00 0.00 O ATOM 384 CB LEU A 26 3.929 -12.231 -4.788 1.00 0.00 C ATOM 385 CG LEU A 26 4.501 -12.922 -6.026 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.987 -14.321 -5.680 1.00 0.00 C ATOM 387 CD2 LEU A 26 3.460 -12.976 -7.135 1.00 0.00 C ATOM 0 H LEU A 26 4.847 -10.068 -5.529 1.00 0.00 H new ATOM 0 HA LEU A 26 4.459 -11.174 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.467 -12.988 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.136 -11.555 -5.108 1.00 0.00 H new ATOM 0 HG LEU A 26 5.352 -12.342 -6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.391 -14.797 -6.573 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.765 -14.258 -4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.154 -14.912 -5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.884 -13.471 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.589 -13.533 -6.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.160 -11.963 -7.402 1.00 0.00 H new ATOM 399 N ASP A 27 7.120 -12.258 -4.565 1.00 0.00 N ATOM 400 CA ASP A 27 8.350 -13.026 -4.406 1.00 0.00 C ATOM 401 C ASP A 27 9.152 -12.526 -3.209 1.00 0.00 C ATOM 402 O ASP A 27 9.290 -13.225 -2.204 1.00 0.00 O ATOM 403 CB ASP A 27 9.198 -12.939 -5.676 1.00 0.00 C ATOM 404 CG ASP A 27 8.870 -14.039 -6.667 1.00 0.00 C ATOM 405 OD1 ASP A 27 9.289 -15.192 -6.434 1.00 0.00 O ATOM 406 OD2 ASP A 27 8.195 -13.746 -7.676 1.00 0.00 O ATOM 0 H ASP A 27 7.074 -11.708 -5.423 1.00 0.00 H new ATOM 0 HA ASP A 27 8.079 -14.067 -4.230 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.041 -11.969 -6.149 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.253 -12.997 -5.410 1.00 0.00 H new ATOM 411 N LEU A 28 9.681 -11.312 -3.323 1.00 0.00 N ATOM 412 CA LEU A 28 10.471 -10.718 -2.250 1.00 0.00 C ATOM 413 C LEU A 28 9.722 -10.783 -0.922 1.00 0.00 C ATOM 414 O LEU A 28 10.327 -10.951 0.137 1.00 0.00 O ATOM 415 CB LEU A 28 10.813 -9.266 -2.586 1.00 0.00 C ATOM 416 CG LEU A 28 9.719 -8.236 -2.301 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.840 -7.708 -0.880 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.788 -7.093 -3.304 1.00 0.00 C ATOM 0 H LEU A 28 9.577 -10.720 -4.147 1.00 0.00 H new ATOM 0 HA LEU A 28 11.395 -11.289 -2.153 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.704 -8.984 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.071 -9.210 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 28 8.750 -8.725 -2.404 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.053 -6.976 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.740 -8.534 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.813 -7.235 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.002 -6.370 -3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.760 -6.605 -3.233 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.651 -7.485 -4.312 1.00 0.00 H new ATOM 430 N LYS A 29 8.402 -10.649 -0.987 1.00 0.00 N ATOM 431 CA LYS A 29 7.568 -10.695 0.209 1.00 0.00 C ATOM 432 C LYS A 29 7.798 -11.990 0.982 1.00 0.00 C ATOM 433 O LYS A 29 8.080 -11.966 2.179 1.00 0.00 O ATOM 434 CB LYS A 29 6.091 -10.569 -0.169 1.00 0.00 C ATOM 435 CG LYS A 29 5.534 -9.168 0.012 1.00 0.00 C ATOM 436 CD LYS A 29 4.032 -9.190 0.239 1.00 0.00 C ATOM 437 CE LYS A 29 3.297 -9.795 -0.947 1.00 0.00 C ATOM 438 NZ LYS A 29 1.824 -9.605 -0.844 1.00 0.00 N ATOM 0 H LYS A 29 7.886 -10.508 -1.855 1.00 0.00 H new ATOM 0 HA LYS A 29 7.845 -9.857 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.964 -10.870 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.509 -11.263 0.437 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.024 -8.687 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.761 -8.569 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.807 -9.763 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.674 -8.175 0.411 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.658 -9.339 -1.869 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.522 -10.860 -1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.360 -10.031 -1.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.475 -10.062 0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.607 -8.589 -0.811 1.00 0.00 H new ATOM 452 N GLN A 30 7.675 -13.118 0.289 1.00 0.00 N ATOM 453 CA GLN A 30 7.870 -14.421 0.911 1.00 0.00 C ATOM 454 C GLN A 30 9.271 -14.539 1.502 1.00 0.00 C ATOM 455 O GLN A 30 9.468 -15.172 2.539 1.00 0.00 O ATOM 456 CB GLN A 30 7.639 -15.537 -0.109 1.00 0.00 C ATOM 457 CG GLN A 30 6.181 -15.708 -0.504 1.00 0.00 C ATOM 458 CD GLN A 30 5.887 -17.081 -1.075 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.083 -17.326 -2.265 1.00 0.00 O ATOM 460 NE2 GLN A 30 5.415 -17.987 -0.226 1.00 0.00 N ATOM 0 H GLN A 30 7.441 -13.155 -0.703 1.00 0.00 H new ATOM 0 HA GLN A 30 7.145 -14.521 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.227 -15.328 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 30 8.008 -16.476 0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.550 -15.539 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.917 -14.949 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.268 -17.741 0.753 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.200 -18.929 -0.553 1.00 0.00 H new ATOM 469 N PHE A 31 10.243 -13.925 0.834 1.00 0.00 N ATOM 470 CA PHE A 31 11.627 -13.962 1.292 1.00 0.00 C ATOM 471 C PHE A 31 11.781 -13.222 2.618 1.00 0.00 C ATOM 472 O PHE A 31 12.535 -13.646 3.494 1.00 0.00 O ATOM 473 CB PHE A 31 12.551 -13.344 0.240 1.00 0.00 C ATOM 474 CG PHE A 31 13.099 -14.345 -0.737 1.00 0.00 C ATOM 475 CD1 PHE A 31 12.247 -15.127 -1.500 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.467 -14.502 -0.893 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.749 -16.048 -2.399 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.975 -15.422 -1.791 1.00 0.00 C ATOM 479 CZ PHE A 31 14.115 -16.195 -2.545 1.00 0.00 C ATOM 0 H PHE A 31 10.097 -13.396 -0.026 1.00 0.00 H new ATOM 0 HA PHE A 31 11.906 -15.005 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.004 -12.576 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.381 -12.847 0.743 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.178 -15.015 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 31 15.144 -13.899 -0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 31 12.074 -16.652 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A 31 16.043 -15.536 -1.903 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.509 -16.914 -3.248 1.00 0.00 H new ATOM 489 N LEU A 32 11.062 -12.114 2.757 1.00 0.00 N ATOM 490 CA LEU A 32 11.118 -11.313 3.975 1.00 0.00 C ATOM 491 C LEU A 32 10.489 -12.060 5.147 1.00 0.00 C ATOM 492 O LEU A 32 10.929 -11.929 6.289 1.00 0.00 O ATOM 493 CB LEU A 32 10.403 -9.977 3.764 1.00 0.00 C ATOM 494 CG LEU A 32 11.033 -9.034 2.738 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.311 -7.695 2.731 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.514 -8.841 3.029 1.00 0.00 C ATOM 0 H LEU A 32 10.433 -11.750 2.041 1.00 0.00 H new ATOM 0 HA LEU A 32 12.166 -11.124 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.377 -10.181 3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.353 -9.459 4.722 1.00 0.00 H new ATOM 0 HG LEU A 32 10.933 -9.484 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.773 -7.037 1.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.263 -7.848 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.379 -7.240 3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.945 -8.167 2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.637 -8.413 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.022 -9.804 2.983 1.00 0.00 H new ATOM 508 N LYS A 33 9.457 -12.845 4.856 1.00 0.00 N ATOM 509 CA LYS A 33 8.769 -13.617 5.884 1.00 0.00 C ATOM 510 C LYS A 33 9.648 -14.755 6.391 1.00 0.00 C ATOM 511 O LYS A 33 9.587 -15.126 7.564 1.00 0.00 O ATOM 512 CB LYS A 33 7.455 -14.179 5.335 1.00 0.00 C ATOM 513 CG LYS A 33 6.542 -13.121 4.741 1.00 0.00 C ATOM 514 CD LYS A 33 5.579 -13.719 3.730 1.00 0.00 C ATOM 515 CE LYS A 33 4.224 -14.012 4.356 1.00 0.00 C ATOM 516 NZ LYS A 33 3.512 -15.113 3.649 1.00 0.00 N ATOM 0 H LYS A 33 9.079 -12.963 3.916 1.00 0.00 H new ATOM 0 HA LYS A 33 8.552 -12.950 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.679 -14.924 4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.927 -14.694 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.979 -12.636 5.538 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.143 -12.349 4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.454 -13.031 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.000 -14.639 3.325 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.359 -14.281 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.611 -13.111 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.593 -15.282 4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.361 -14.847 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.084 -15.980 3.692 1.00 0.00 H new ATOM 530 N THR A 34 10.469 -15.304 5.501 1.00 0.00 N ATOM 531 CA THR A 34 11.362 -16.399 5.859 1.00 0.00 C ATOM 532 C THR A 34 12.687 -15.874 6.399 1.00 0.00 C ATOM 533 O THR A 34 13.352 -16.539 7.194 1.00 0.00 O ATOM 534 CB THR A 34 11.639 -17.315 4.652 1.00 0.00 C ATOM 535 OG1 THR A 34 12.367 -16.597 3.649 1.00 0.00 O ATOM 536 CG2 THR A 34 10.340 -17.842 4.062 1.00 0.00 C ATOM 0 H THR A 34 10.534 -15.008 4.527 1.00 0.00 H new ATOM 0 HA THR A 34 10.860 -16.976 6.636 1.00 0.00 H new ATOM 0 HB THR A 34 12.233 -18.162 4.996 1.00 0.00 H new ATOM 0 HG1 THR A 34 12.248 -15.634 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.562 -18.486 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.802 -18.413 4.819 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.724 -17.005 3.733 1.00 0.00 H new ATOM 544 N LEU A 35 13.066 -14.678 5.963 1.00 0.00 N ATOM 545 CA LEU A 35 14.313 -14.062 6.404 1.00 0.00 C ATOM 546 C LEU A 35 14.126 -13.350 7.740 1.00 0.00 C ATOM 547 O LEU A 35 14.934 -13.502 8.656 1.00 0.00 O ATOM 548 CB LEU A 35 14.816 -13.073 5.351 1.00 0.00 C ATOM 549 CG LEU A 35 16.150 -12.391 5.655 1.00 0.00 C ATOM 550 CD1 LEU A 35 15.943 -11.201 6.580 1.00 0.00 C ATOM 551 CD2 LEU A 35 17.128 -13.382 6.270 1.00 0.00 C ATOM 0 H LEU A 35 12.528 -14.115 5.304 1.00 0.00 H new ATOM 0 HA LEU A 35 15.053 -14.851 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.908 -13.600 4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.059 -12.301 5.215 1.00 0.00 H new ATOM 0 HG LEU A 35 16.572 -12.028 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.903 -10.728 6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.279 -10.481 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.498 -11.540 7.516 1.00 0.00 H new ATOM 0 HD21 LEU A 35 18.072 -12.879 6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.712 -13.775 7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 35 17.301 -14.202 5.573 1.00 0.00 H new ATOM 563 N THR A 36 13.052 -12.572 7.845 1.00 0.00 N ATOM 564 CA THR A 36 12.758 -11.837 9.068 1.00 0.00 C ATOM 565 C THR A 36 11.897 -12.666 10.014 1.00 0.00 C ATOM 566 O THR A 36 12.099 -12.649 11.228 1.00 0.00 O ATOM 567 CB THR A 36 12.037 -10.510 8.766 1.00 0.00 C ATOM 568 OG1 THR A 36 10.646 -10.752 8.526 1.00 0.00 O ATOM 569 CG2 THR A 36 12.653 -9.822 7.557 1.00 0.00 C ATOM 0 H THR A 36 12.372 -12.435 7.097 1.00 0.00 H new ATOM 0 HA THR A 36 13.714 -11.622 9.545 1.00 0.00 H new ATOM 0 HB THR A 36 12.148 -9.857 9.631 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.548 -11.426 7.822 1.00 0.00 H new ATOM 0 HG21 THR A 36 12.127 -8.887 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.704 -9.613 7.754 1.00 0.00 H new ATOM 0 HG23 THR A 36 12.569 -10.472 6.686 1.00 0.00 H new ATOM 577 N GLY A 37 10.936 -13.392 9.451 1.00 0.00 N ATOM 578 CA GLY A 37 10.059 -14.218 10.260 1.00 0.00 C ATOM 579 C GLY A 37 9.425 -13.446 11.400 1.00 0.00 C ATOM 580 O GLY A 37 9.051 -14.026 12.419 1.00 0.00 O ATOM 0 H GLY A 37 10.749 -13.423 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.275 -14.637 9.629 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.626 -15.057 10.664 1.00 0.00 H new ATOM 584 N VAL A 38 9.304 -12.134 11.229 1.00 0.00 N ATOM 585 CA VAL A 38 8.711 -11.281 12.252 1.00 0.00 C ATOM 586 C VAL A 38 7.694 -10.321 11.645 1.00 0.00 C ATOM 587 O VAL A 38 7.136 -9.470 12.339 1.00 0.00 O ATOM 588 CB VAL A 38 9.786 -10.468 12.998 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.333 -9.363 12.108 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.220 -9.895 14.288 1.00 0.00 C ATOM 0 H VAL A 38 9.609 -11.638 10.391 1.00 0.00 H new ATOM 0 HA VAL A 38 8.208 -11.939 12.960 1.00 0.00 H new ATOM 0 HB VAL A 38 10.609 -11.135 13.254 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.091 -8.799 12.652 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.778 -9.802 11.215 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.522 -8.694 11.818 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.993 -9.324 14.802 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.379 -9.242 14.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.882 -10.708 14.930 1.00 0.00 H new ATOM 600 N LEU A 39 7.456 -10.464 10.346 1.00 0.00 N ATOM 601 CA LEU A 39 6.504 -9.609 9.644 1.00 0.00 C ATOM 602 C LEU A 39 5.097 -9.784 10.206 1.00 0.00 C ATOM 603 O LEU A 39 4.410 -8.818 10.537 1.00 0.00 O ATOM 604 CB LEU A 39 6.511 -9.927 8.148 1.00 0.00 C ATOM 605 CG LEU A 39 7.847 -9.740 7.428 1.00 0.00 C ATOM 606 CD1 LEU A 39 7.656 -9.806 5.921 1.00 0.00 C ATOM 607 CD2 LEU A 39 8.490 -8.420 7.829 1.00 0.00 C ATOM 0 H LEU A 39 7.909 -11.163 9.757 1.00 0.00 H new ATOM 0 HA LEU A 39 6.807 -8.572 9.791 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.191 -10.961 8.015 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.767 -9.298 7.660 1.00 0.00 H new ATOM 0 HG LEU A 39 8.513 -10.550 7.725 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.618 -9.671 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.241 -10.777 5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.972 -9.018 5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.440 -8.304 7.307 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.827 -7.597 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.664 -8.412 8.905 1.00 0.00 H new ATOM 619 N PRO A 40 4.658 -11.046 10.320 1.00 0.00 N ATOM 620 CA PRO A 40 3.330 -11.378 10.845 1.00 0.00 C ATOM 621 C PRO A 40 3.211 -11.099 12.339 1.00 0.00 C ATOM 622 O PRO A 40 2.116 -11.131 12.900 1.00 0.00 O ATOM 623 CB PRO A 40 3.205 -12.879 10.570 1.00 0.00 C ATOM 624 CG PRO A 40 4.609 -13.373 10.519 1.00 0.00 C ATOM 625 CD PRO A 40 5.424 -12.247 9.945 1.00 0.00 C ATOM 0 HA PRO A 40 2.547 -10.779 10.381 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.638 -13.379 11.355 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.685 -13.067 9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.964 -13.644 11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.686 -14.266 9.899 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.431 -12.227 10.361 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.527 -12.336 8.864 1.00 0.00 H new ATOM 633 N GLU A 41 4.344 -10.824 12.977 1.00 0.00 N ATOM 634 CA GLU A 41 4.365 -10.539 14.407 1.00 0.00 C ATOM 635 C GLU A 41 4.273 -9.037 14.664 1.00 0.00 C ATOM 636 O GLU A 41 3.230 -8.530 15.077 1.00 0.00 O ATOM 637 CB GLU A 41 5.639 -11.099 15.043 1.00 0.00 C ATOM 638 CG GLU A 41 5.673 -12.617 15.103 1.00 0.00 C ATOM 639 CD GLU A 41 4.842 -13.174 16.242 1.00 0.00 C ATOM 640 OE1 GLU A 41 5.158 -12.868 17.411 1.00 0.00 O ATOM 641 OE2 GLU A 41 3.876 -13.916 15.966 1.00 0.00 O ATOM 0 H GLU A 41 5.259 -10.792 12.527 1.00 0.00 H new ATOM 0 HA GLU A 41 3.499 -11.022 14.860 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.502 -10.747 14.478 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.736 -10.702 16.053 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.308 -13.023 14.159 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.705 -12.950 15.215 1.00 0.00 H new ATOM 648 N ARG A 42 5.373 -8.333 14.418 1.00 0.00 N ATOM 649 CA ARG A 42 5.417 -6.890 14.625 1.00 0.00 C ATOM 650 C ARG A 42 6.259 -6.213 13.547 1.00 0.00 C ATOM 651 O ARG A 42 7.483 -6.341 13.531 1.00 0.00 O ATOM 652 CB ARG A 42 5.986 -6.569 16.008 1.00 0.00 C ATOM 653 CG ARG A 42 5.367 -7.391 17.127 1.00 0.00 C ATOM 654 CD ARG A 42 5.937 -7.004 18.483 1.00 0.00 C ATOM 655 NE ARG A 42 5.476 -7.894 19.544 1.00 0.00 N ATOM 656 CZ ARG A 42 5.681 -7.665 20.837 1.00 0.00 C ATOM 657 NH1 ARG A 42 6.336 -6.580 21.225 1.00 0.00 N ATOM 658 NH2 ARG A 42 5.230 -8.523 21.744 1.00 0.00 N ATOM 0 H ARG A 42 6.245 -8.737 14.076 1.00 0.00 H new ATOM 0 HA ARG A 42 4.398 -6.507 14.561 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.063 -6.739 15.997 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.832 -5.511 16.218 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.287 -7.247 17.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.547 -8.450 16.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.026 -7.027 18.438 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.649 -5.979 18.718 1.00 0.00 H new ATOM 0 HE ARG A 42 4.969 -8.738 19.279 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.684 -5.919 20.531 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.492 -6.406 22.218 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.726 -9.359 21.449 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.388 -8.346 22.736 1.00 0.00 H new ATOM 672 N GLN A 43 5.594 -5.493 12.649 1.00 0.00 N ATOM 673 CA GLN A 43 6.281 -4.797 11.568 1.00 0.00 C ATOM 674 C GLN A 43 5.925 -3.314 11.563 1.00 0.00 C ATOM 675 O GLN A 43 4.766 -2.943 11.377 1.00 0.00 O ATOM 676 CB GLN A 43 5.922 -5.424 10.220 1.00 0.00 C ATOM 677 CG GLN A 43 6.419 -4.626 9.026 1.00 0.00 C ATOM 678 CD GLN A 43 7.596 -5.285 8.333 1.00 0.00 C ATOM 679 OE1 GLN A 43 7.554 -5.553 7.132 1.00 0.00 O ATOM 680 NE2 GLN A 43 8.656 -5.550 9.089 1.00 0.00 N ATOM 0 H GLN A 43 4.581 -5.377 12.649 1.00 0.00 H new ATOM 0 HA GLN A 43 7.354 -4.894 11.731 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.340 -6.430 10.174 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.839 -5.526 10.153 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.605 -4.502 8.312 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.708 -3.628 9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.648 -5.311 10.081 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.478 -5.993 8.678 1.00 0.00 H new ATOM 689 N LYS A 44 6.930 -2.469 11.768 1.00 0.00 N ATOM 690 CA LYS A 44 6.725 -1.025 11.786 1.00 0.00 C ATOM 691 C LYS A 44 7.847 -0.307 11.043 1.00 0.00 C ATOM 692 O LYS A 44 8.952 -0.154 11.564 1.00 0.00 O ATOM 693 CB LYS A 44 6.648 -0.519 13.228 1.00 0.00 C ATOM 694 CG LYS A 44 5.823 -1.408 14.142 1.00 0.00 C ATOM 695 CD LYS A 44 6.704 -2.339 14.958 1.00 0.00 C ATOM 696 CE LYS A 44 6.999 -1.764 16.334 1.00 0.00 C ATOM 697 NZ LYS A 44 5.758 -1.580 17.136 1.00 0.00 N ATOM 0 H LYS A 44 7.895 -2.759 11.924 1.00 0.00 H new ATOM 0 HA LYS A 44 5.783 -0.810 11.281 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.658 -0.437 13.630 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.222 0.484 13.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.227 -0.789 14.813 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.125 -1.996 13.546 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.213 -3.306 15.064 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.640 -2.514 14.427 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.680 -2.428 16.866 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.507 -0.806 16.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.979 -1.687 18.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.372 -0.630 16.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.056 -2.295 16.858 1.00 0.00 H new ATOM 711 N LEU A 45 7.555 0.133 9.824 1.00 0.00 N ATOM 712 CA LEU A 45 8.539 0.837 9.009 1.00 0.00 C ATOM 713 C LEU A 45 8.110 2.279 8.762 1.00 0.00 C ATOM 714 O LEU A 45 7.110 2.744 9.312 1.00 0.00 O ATOM 715 CB LEU A 45 8.736 0.115 7.674 1.00 0.00 C ATOM 716 CG LEU A 45 8.533 -1.400 7.694 1.00 0.00 C ATOM 717 CD1 LEU A 45 9.016 -2.021 6.393 1.00 0.00 C ATOM 718 CD2 LEU A 45 9.254 -2.019 8.883 1.00 0.00 C ATOM 0 H LEU A 45 6.645 0.015 9.378 1.00 0.00 H new ATOM 0 HA LEU A 45 9.484 0.847 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.047 0.544 6.947 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.745 0.322 7.318 1.00 0.00 H new ATOM 0 HG LEU A 45 7.467 -1.603 7.795 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.863 -3.100 6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.455 -1.600 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.077 -1.809 6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.099 -3.098 8.881 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.321 -1.806 8.813 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.860 -1.597 9.807 1.00 0.00 H new ATOM 730 N LEU A 46 8.869 2.983 7.929 1.00 0.00 N ATOM 731 CA LEU A 46 8.566 4.373 7.607 1.00 0.00 C ATOM 732 C LEU A 46 7.720 4.466 6.341 1.00 0.00 C ATOM 733 O LEU A 46 7.921 5.352 5.511 1.00 0.00 O ATOM 734 CB LEU A 46 9.860 5.170 7.429 1.00 0.00 C ATOM 735 CG LEU A 46 10.977 4.470 6.654 1.00 0.00 C ATOM 736 CD1 LEU A 46 10.491 4.054 5.274 1.00 0.00 C ATOM 737 CD2 LEU A 46 12.195 5.376 6.541 1.00 0.00 C ATOM 0 H LEU A 46 9.699 2.614 7.464 1.00 0.00 H new ATOM 0 HA LEU A 46 7.997 4.796 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.621 6.104 6.920 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.240 5.434 8.416 1.00 0.00 H new ATOM 0 HG LEU A 46 11.265 3.572 7.201 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.300 3.558 4.738 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.649 3.369 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.175 4.937 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.980 4.862 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.920 6.291 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.558 5.624 7.538 1.00 0.00 H new ATOM 749 N GLY A 47 6.770 3.546 6.201 1.00 0.00 N ATOM 750 CA GLY A 47 5.906 3.543 5.035 1.00 0.00 C ATOM 751 C GLY A 47 5.705 2.153 4.466 1.00 0.00 C ATOM 752 O GLY A 47 4.571 1.706 4.284 1.00 0.00 O ATOM 0 H GLY A 47 6.584 2.803 6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.938 3.966 5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.334 4.188 4.268 1.00 0.00 H new ATOM 756 N LEU A 48 6.806 1.466 4.182 1.00 0.00 N ATOM 757 CA LEU A 48 6.746 0.118 3.628 1.00 0.00 C ATOM 758 C LEU A 48 6.085 -0.845 4.609 1.00 0.00 C ATOM 759 O LEU A 48 6.427 -0.876 5.791 1.00 0.00 O ATOM 760 CB LEU A 48 8.151 -0.375 3.280 1.00 0.00 C ATOM 761 CG LEU A 48 8.226 -1.625 2.402 1.00 0.00 C ATOM 762 CD1 LEU A 48 8.120 -2.881 3.251 1.00 0.00 C ATOM 763 CD2 LEU A 48 7.132 -1.599 1.344 1.00 0.00 C ATOM 0 H LEU A 48 7.751 1.820 4.326 1.00 0.00 H new ATOM 0 HA LEU A 48 6.145 0.152 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.683 0.432 2.775 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.684 -0.576 4.209 1.00 0.00 H new ATOM 0 HG LEU A 48 9.192 -1.634 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 48 8.175 -3.760 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 48 8.939 -2.905 3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.169 -2.881 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.200 -2.496 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.157 -1.566 1.830 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.255 -0.717 0.715 1.00 0.00 H new ATOM 775 N LYS A 49 5.138 -1.632 4.111 1.00 0.00 N ATOM 776 CA LYS A 49 4.430 -2.599 4.941 1.00 0.00 C ATOM 777 C LYS A 49 3.687 -1.901 6.076 1.00 0.00 C ATOM 778 O LYS A 49 4.079 -1.996 7.239 1.00 0.00 O ATOM 779 CB LYS A 49 5.412 -3.624 5.515 1.00 0.00 C ATOM 780 CG LYS A 49 5.554 -4.873 4.662 1.00 0.00 C ATOM 781 CD LYS A 49 4.245 -5.638 4.571 1.00 0.00 C ATOM 782 CE LYS A 49 4.480 -7.117 4.304 1.00 0.00 C ATOM 783 NZ LYS A 49 4.800 -7.377 2.873 1.00 0.00 N ATOM 0 H LYS A 49 4.843 -1.619 3.135 1.00 0.00 H new ATOM 0 HA LYS A 49 3.701 -3.113 4.315 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.390 -3.156 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.082 -3.911 6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.884 -4.595 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.325 -5.518 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.688 -5.519 5.500 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.631 -5.217 3.775 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.298 -7.474 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.592 -7.683 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.953 -8.396 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.009 -7.060 2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.662 -6.857 2.610 1.00 0.00 H new ATOM 797 N VAL A 50 2.611 -1.202 5.731 1.00 0.00 N ATOM 798 CA VAL A 50 1.811 -0.490 6.721 1.00 0.00 C ATOM 799 C VAL A 50 0.697 -1.377 7.267 1.00 0.00 C ATOM 800 O VAL A 50 0.121 -2.187 6.541 1.00 0.00 O ATOM 801 CB VAL A 50 1.190 0.788 6.127 1.00 0.00 C ATOM 802 CG1 VAL A 50 0.352 0.455 4.902 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.356 1.511 7.174 1.00 0.00 C ATOM 0 H VAL A 50 2.273 -1.113 4.773 1.00 0.00 H new ATOM 0 HA VAL A 50 2.484 -0.214 7.533 1.00 0.00 H new ATOM 0 HB VAL A 50 1.996 1.452 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.079 1.370 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.982 -0.016 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.449 -0.229 5.184 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.075 2.412 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.444 0.856 7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.989 1.784 8.018 1.00 0.00 H new ATOM 813 N LYS A 51 0.399 -1.217 8.552 1.00 0.00 N ATOM 814 CA LYS A 51 -0.648 -2.001 9.198 1.00 0.00 C ATOM 815 C LYS A 51 -2.029 -1.565 8.718 1.00 0.00 C ATOM 816 O LYS A 51 -2.303 -0.373 8.587 1.00 0.00 O ATOM 817 CB LYS A 51 -0.556 -1.858 10.718 1.00 0.00 C ATOM 818 CG LYS A 51 -0.977 -0.490 11.227 1.00 0.00 C ATOM 819 CD LYS A 51 -2.436 -0.477 11.649 1.00 0.00 C ATOM 820 CE LYS A 51 -3.077 0.879 11.398 1.00 0.00 C ATOM 821 NZ LYS A 51 -4.268 1.099 12.264 1.00 0.00 N ATOM 0 H LYS A 51 0.868 -0.552 9.167 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.503 -3.047 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.182 -2.618 11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.470 -2.053 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.350 -0.207 12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.816 0.255 10.447 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.981 -1.245 11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.512 -0.726 12.707 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.345 1.666 11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.371 0.953 10.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.676 2.034 12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.977 0.363 12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.984 1.054 13.263 1.00 0.00 H new ATOM 835 N GLY A 52 -2.895 -2.539 8.459 1.00 0.00 N ATOM 836 CA GLY A 52 -4.237 -2.235 7.998 1.00 0.00 C ATOM 837 C GLY A 52 -4.306 -2.046 6.496 1.00 0.00 C ATOM 838 O GLY A 52 -5.391 -1.928 5.926 1.00 0.00 O ATOM 0 H GLY A 52 -2.692 -3.533 8.560 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.910 -3.041 8.291 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.591 -1.330 8.491 1.00 0.00 H new ATOM 842 N LYS A 53 -3.145 -2.017 5.851 1.00 0.00 N ATOM 843 CA LYS A 53 -3.076 -1.841 4.405 1.00 0.00 C ATOM 844 C LYS A 53 -1.793 -2.445 3.844 1.00 0.00 C ATOM 845 O LYS A 53 -0.861 -1.737 3.460 1.00 0.00 O ATOM 846 CB LYS A 53 -3.151 -0.354 4.048 1.00 0.00 C ATOM 847 CG LYS A 53 -4.541 0.239 4.204 1.00 0.00 C ATOM 848 CD LYS A 53 -4.723 1.469 3.331 1.00 0.00 C ATOM 849 CE LYS A 53 -5.067 1.090 1.898 1.00 0.00 C ATOM 850 NZ LYS A 53 -4.741 2.183 0.941 1.00 0.00 N ATOM 0 H LYS A 53 -2.238 -2.113 6.307 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.925 -2.359 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.456 0.199 4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.821 -0.219 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.289 -0.509 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.710 0.504 5.248 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.515 2.095 3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.809 2.063 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.521 0.189 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.129 0.853 1.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.990 1.885 -0.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.281 3.036 1.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.723 2.392 0.987 1.00 0.00 H new ATOM 864 N PRO A 54 -1.742 -3.784 3.793 1.00 0.00 N ATOM 865 CA PRO A 54 -0.578 -4.513 3.277 1.00 0.00 C ATOM 866 C PRO A 54 -0.414 -4.351 1.770 1.00 0.00 C ATOM 867 O PRO A 54 -1.396 -4.291 1.032 1.00 0.00 O ATOM 868 CB PRO A 54 -0.889 -5.970 3.628 1.00 0.00 C ATOM 869 CG PRO A 54 -2.375 -6.031 3.712 1.00 0.00 C ATOM 870 CD PRO A 54 -2.816 -4.691 4.233 1.00 0.00 C ATOM 0 HA PRO A 54 0.355 -4.147 3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.507 -6.651 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.427 -6.257 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.813 -6.233 2.735 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.696 -6.833 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.782 -4.398 3.823 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.919 -4.696 5.318 1.00 0.00 H new ATOM 878 N ALA A 55 0.835 -4.281 1.320 1.00 0.00 N ATOM 879 CA ALA A 55 1.127 -4.128 -0.100 1.00 0.00 C ATOM 880 C ALA A 55 0.391 -5.176 -0.928 1.00 0.00 C ATOM 881 O ALA A 55 -0.196 -6.110 -0.383 1.00 0.00 O ATOM 882 CB ALA A 55 2.627 -4.219 -0.342 1.00 0.00 C ATOM 0 H ALA A 55 1.660 -4.328 1.918 1.00 0.00 H new ATOM 0 HA ALA A 55 0.778 -3.144 -0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.832 -4.103 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.134 -3.429 0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.992 -5.190 -0.006 1.00 0.00 H new ATOM 888 N GLU A 56 0.427 -5.013 -2.247 1.00 0.00 N ATOM 889 CA GLU A 56 -0.239 -5.946 -3.149 1.00 0.00 C ATOM 890 C GLU A 56 0.781 -6.737 -3.963 1.00 0.00 C ATOM 891 O GLU A 56 1.880 -6.256 -4.237 1.00 0.00 O ATOM 892 CB GLU A 56 -1.185 -5.194 -4.088 1.00 0.00 C ATOM 893 CG GLU A 56 -2.182 -6.095 -4.796 1.00 0.00 C ATOM 894 CD GLU A 56 -3.399 -5.340 -5.294 1.00 0.00 C ATOM 895 OE1 GLU A 56 -3.286 -4.652 -6.330 1.00 0.00 O ATOM 896 OE2 GLU A 56 -4.463 -5.437 -4.648 1.00 0.00 O ATOM 0 H GLU A 56 0.909 -4.245 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.818 -6.645 -2.546 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.729 -4.442 -3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.595 -4.662 -4.834 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.691 -6.582 -5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.502 -6.883 -4.114 1.00 0.00 H new ATOM 903 N ASN A 57 0.408 -7.953 -4.346 1.00 0.00 N ATOM 904 CA ASN A 57 1.290 -8.812 -5.128 1.00 0.00 C ATOM 905 C ASN A 57 1.438 -8.287 -6.553 1.00 0.00 C ATOM 906 O ASN A 57 2.519 -8.349 -7.139 1.00 0.00 O ATOM 907 CB ASN A 57 0.751 -10.244 -5.153 1.00 0.00 C ATOM 908 CG ASN A 57 -0.649 -10.324 -5.731 1.00 0.00 C ATOM 909 OD1 ASN A 57 -0.828 -10.387 -6.948 1.00 0.00 O ATOM 910 ND2 ASN A 57 -1.650 -10.322 -4.859 1.00 0.00 N ATOM 0 H ASN A 57 -0.499 -8.366 -4.128 1.00 0.00 H new ATOM 0 HA ASN A 57 2.272 -8.809 -4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.421 -10.871 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.746 -10.646 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.614 -10.374 -5.189 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.455 -10.268 -3.859 1.00 0.00 H new ATOM 917 N ASP A 58 0.345 -7.771 -7.103 1.00 0.00 N ATOM 918 CA ASP A 58 0.352 -7.233 -8.459 1.00 0.00 C ATOM 919 C ASP A 58 1.464 -6.202 -8.628 1.00 0.00 C ATOM 920 O ASP A 58 1.980 -6.006 -9.728 1.00 0.00 O ATOM 921 CB ASP A 58 -1.001 -6.601 -8.787 1.00 0.00 C ATOM 922 CG ASP A 58 -1.285 -6.581 -10.276 1.00 0.00 C ATOM 923 OD1 ASP A 58 -0.744 -7.447 -10.995 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.050 -5.700 -10.722 1.00 0.00 O ATOM 0 H ASP A 58 -0.558 -7.714 -6.631 1.00 0.00 H new ATOM 0 HA ASP A 58 0.536 -8.056 -9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.790 -7.154 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.026 -5.582 -8.402 1.00 0.00 H new ATOM 929 N VAL A 59 1.827 -5.545 -7.531 1.00 0.00 N ATOM 930 CA VAL A 59 2.877 -4.534 -7.558 1.00 0.00 C ATOM 931 C VAL A 59 4.150 -5.080 -8.196 1.00 0.00 C ATOM 932 O VAL A 59 4.548 -6.217 -7.940 1.00 0.00 O ATOM 933 CB VAL A 59 3.204 -4.027 -6.141 1.00 0.00 C ATOM 934 CG1 VAL A 59 4.313 -2.986 -6.189 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.958 -3.460 -5.478 1.00 0.00 C ATOM 0 H VAL A 59 1.409 -5.695 -6.613 1.00 0.00 H new ATOM 0 HA VAL A 59 2.501 -3.704 -8.156 1.00 0.00 H new ATOM 0 HB VAL A 59 3.554 -4.869 -5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.531 -2.639 -5.179 1.00 0.00 H new ATOM 0 HG12 VAL A 59 5.210 -3.430 -6.621 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.994 -2.143 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.207 -3.106 -4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.576 -2.630 -6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.197 -4.237 -5.409 1.00 0.00 H new ATOM 945 N LYS A 60 4.785 -4.263 -9.030 1.00 0.00 N ATOM 946 CA LYS A 60 6.014 -4.662 -9.705 1.00 0.00 C ATOM 947 C LYS A 60 6.759 -3.444 -10.243 1.00 0.00 C ATOM 948 O LYS A 60 6.325 -2.306 -10.057 1.00 0.00 O ATOM 949 CB LYS A 60 5.701 -5.628 -10.850 1.00 0.00 C ATOM 950 CG LYS A 60 4.562 -5.166 -11.742 1.00 0.00 C ATOM 951 CD LYS A 60 4.936 -5.248 -13.212 1.00 0.00 C ATOM 952 CE LYS A 60 3.814 -5.857 -14.039 1.00 0.00 C ATOM 953 NZ LYS A 60 2.631 -4.956 -14.117 1.00 0.00 N ATOM 0 H LYS A 60 4.468 -3.320 -9.255 1.00 0.00 H new ATOM 0 HA LYS A 60 6.652 -5.165 -8.978 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.596 -5.760 -11.458 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.452 -6.604 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.681 -5.780 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.295 -4.140 -11.490 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.165 -4.250 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.840 -5.847 -13.326 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.177 -6.067 -15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.517 -6.810 -13.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.888 -5.407 -14.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.269 -4.775 -13.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.909 -4.056 -14.558 1.00 0.00 H new ATOM 967 N LEU A 61 7.880 -3.690 -10.911 1.00 0.00 N ATOM 968 CA LEU A 61 8.685 -2.614 -11.478 1.00 0.00 C ATOM 969 C LEU A 61 7.889 -1.826 -12.513 1.00 0.00 C ATOM 970 O LEU A 61 8.066 -0.617 -12.659 1.00 0.00 O ATOM 971 CB LEU A 61 9.954 -3.181 -12.117 1.00 0.00 C ATOM 972 CG LEU A 61 10.862 -2.170 -12.817 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.769 -1.479 -11.810 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.686 -2.853 -13.899 1.00 0.00 C ATOM 0 H LEU A 61 8.253 -4.626 -11.073 1.00 0.00 H new ATOM 0 HA LEU A 61 8.964 -1.938 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.533 -3.684 -11.343 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.663 -3.941 -12.842 1.00 0.00 H new ATOM 0 HG LEU A 61 10.235 -1.413 -13.289 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.408 -0.763 -12.327 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.161 -0.956 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 61 12.389 -2.222 -11.309 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.327 -2.118 -14.387 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.303 -3.631 -13.450 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.019 -3.300 -14.637 1.00 0.00 H new ATOM 986 N GLY A 62 7.009 -2.519 -13.229 1.00 0.00 N ATOM 987 CA GLY A 62 6.197 -1.868 -14.240 1.00 0.00 C ATOM 988 C GLY A 62 4.995 -1.157 -13.649 1.00 0.00 C ATOM 989 O GLY A 62 4.186 -0.582 -14.377 1.00 0.00 O ATOM 0 H GLY A 62 6.844 -3.520 -13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 62 6.809 -1.149 -14.785 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.857 -2.610 -14.962 1.00 0.00 H new ATOM 993 N ALA A 63 4.877 -1.198 -12.326 1.00 0.00 N ATOM 994 CA ALA A 63 3.765 -0.553 -11.638 1.00 0.00 C ATOM 995 C ALA A 63 4.260 0.554 -10.714 1.00 0.00 C ATOM 996 O ALA A 63 3.482 1.397 -10.266 1.00 0.00 O ATOM 997 CB ALA A 63 2.963 -1.580 -10.853 1.00 0.00 C ATOM 0 H ALA A 63 5.538 -1.671 -11.709 1.00 0.00 H new ATOM 0 HA ALA A 63 3.118 -0.101 -12.389 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.136 -1.084 -10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.570 -2.334 -11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.608 -2.059 -10.116 1.00 0.00 H new ATOM 1003 N LEU A 64 5.558 0.546 -10.431 1.00 0.00 N ATOM 1004 CA LEU A 64 6.157 1.550 -9.559 1.00 0.00 C ATOM 1005 C LEU A 64 7.105 2.454 -10.340 1.00 0.00 C ATOM 1006 O LEU A 64 6.919 3.670 -10.392 1.00 0.00 O ATOM 1007 CB LEU A 64 6.910 0.873 -8.411 1.00 0.00 C ATOM 1008 CG LEU A 64 6.152 -0.229 -7.669 1.00 0.00 C ATOM 1009 CD1 LEU A 64 7.113 -1.301 -7.181 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.366 0.356 -6.505 1.00 0.00 C ATOM 0 H LEU A 64 6.216 -0.145 -10.793 1.00 0.00 H new ATOM 0 HA LEU A 64 5.355 2.164 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.832 0.448 -8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.197 1.638 -7.690 1.00 0.00 H new ATOM 0 HG LEU A 64 5.448 -0.690 -8.362 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.556 -2.077 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.631 -1.740 -8.033 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.842 -0.855 -6.504 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.833 -0.442 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.051 0.843 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.650 1.087 -6.880 1.00 0.00 H new ATOM 1022 N LYS A 65 8.122 1.853 -10.948 1.00 0.00 N ATOM 1023 CA LYS A 65 9.098 2.602 -11.730 1.00 0.00 C ATOM 1024 C LYS A 65 9.864 3.583 -10.848 1.00 0.00 C ATOM 1025 O LYS A 65 10.312 4.632 -11.313 1.00 0.00 O ATOM 1026 CB LYS A 65 8.401 3.358 -12.865 1.00 0.00 C ATOM 1027 CG LYS A 65 7.338 2.540 -13.577 1.00 0.00 C ATOM 1028 CD LYS A 65 7.495 2.615 -15.087 1.00 0.00 C ATOM 1029 CE LYS A 65 6.151 2.786 -15.778 1.00 0.00 C ATOM 1030 NZ LYS A 65 5.580 4.143 -15.556 1.00 0.00 N ATOM 0 H LYS A 65 8.292 0.848 -10.914 1.00 0.00 H new ATOM 0 HA LYS A 65 9.807 1.892 -12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.943 4.261 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.149 3.677 -13.591 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.401 1.501 -13.255 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.349 2.902 -13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.147 3.449 -15.345 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.979 1.708 -15.449 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.268 2.612 -16.848 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.454 2.034 -15.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.798 4.304 -16.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.225 4.215 -14.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.318 4.860 -15.709 1.00 0.00 H new ATOM 1044 N LEU A 66 10.013 3.234 -9.575 1.00 0.00 N ATOM 1045 CA LEU A 66 10.728 4.083 -8.628 1.00 0.00 C ATOM 1046 C LEU A 66 12.202 3.696 -8.555 1.00 0.00 C ATOM 1047 O LEU A 66 12.591 2.608 -8.979 1.00 0.00 O ATOM 1048 CB LEU A 66 10.092 3.980 -7.241 1.00 0.00 C ATOM 1049 CG LEU A 66 9.004 5.006 -6.923 1.00 0.00 C ATOM 1050 CD1 LEU A 66 7.899 4.373 -6.092 1.00 0.00 C ATOM 1051 CD2 LEU A 66 9.598 6.206 -6.199 1.00 0.00 C ATOM 0 H LEU A 66 9.649 2.370 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 66 10.659 5.113 -8.977 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.666 2.983 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.880 4.073 -6.494 1.00 0.00 H new ATOM 0 HG LEU A 66 8.571 5.351 -7.862 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.134 5.119 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.454 3.547 -6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.316 3.999 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.809 6.926 -5.981 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.058 5.878 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.353 6.675 -6.830 1.00 0.00 H new ATOM 1063 N LYS A 67 13.017 4.593 -8.012 1.00 0.00 N ATOM 1064 CA LYS A 67 14.448 4.346 -7.878 1.00 0.00 C ATOM 1065 C LYS A 67 14.791 3.883 -6.466 1.00 0.00 C ATOM 1066 O LYS A 67 14.069 4.153 -5.506 1.00 0.00 O ATOM 1067 CB LYS A 67 15.239 5.611 -8.218 1.00 0.00 C ATOM 1068 CG LYS A 67 14.939 6.782 -7.298 1.00 0.00 C ATOM 1069 CD LYS A 67 15.300 8.108 -7.946 1.00 0.00 C ATOM 1070 CE LYS A 67 16.790 8.199 -8.235 1.00 0.00 C ATOM 1071 NZ LYS A 67 17.174 9.542 -8.752 1.00 0.00 N ATOM 0 H LYS A 67 12.711 5.499 -7.657 1.00 0.00 H new ATOM 0 HA LYS A 67 14.721 3.555 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.305 5.387 -8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.019 5.901 -9.245 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.880 6.779 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.496 6.667 -6.368 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.740 8.225 -8.874 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.005 8.927 -7.290 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.350 7.987 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.066 7.437 -8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.197 9.563 -8.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.659 9.735 -9.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.934 10.267 -8.046 1.00 0.00 H new ATOM 1085 N PRO A 68 15.920 3.171 -6.333 1.00 0.00 N ATOM 1086 CA PRO A 68 16.385 2.658 -5.041 1.00 0.00 C ATOM 1087 C PRO A 68 16.862 3.770 -4.114 1.00 0.00 C ATOM 1088 O PRO A 68 17.165 3.529 -2.946 1.00 0.00 O ATOM 1089 CB PRO A 68 17.551 1.742 -5.422 1.00 0.00 C ATOM 1090 CG PRO A 68 18.041 2.274 -6.725 1.00 0.00 C ATOM 1091 CD PRO A 68 16.829 2.812 -7.435 1.00 0.00 C ATOM 0 HA PRO A 68 15.590 2.153 -4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.335 1.764 -4.665 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.226 0.706 -5.514 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.783 3.057 -6.572 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.521 1.490 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.075 3.677 -8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.386 2.066 -8.095 1.00 0.00 H new ATOM 1099 N ASN A 69 16.925 4.988 -4.642 1.00 0.00 N ATOM 1100 CA ASN A 69 17.366 6.138 -3.860 1.00 0.00 C ATOM 1101 C ASN A 69 16.386 6.435 -2.729 1.00 0.00 C ATOM 1102 O ASN A 69 16.753 7.024 -1.712 1.00 0.00 O ATOM 1103 CB ASN A 69 17.512 7.367 -4.760 1.00 0.00 C ATOM 1104 CG ASN A 69 18.312 8.474 -4.101 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.820 9.164 -3.208 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.553 8.648 -4.539 1.00 0.00 N ATOM 0 H ASN A 69 16.677 5.204 -5.607 1.00 0.00 H new ATOM 0 HA ASN A 69 18.335 5.899 -3.423 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.998 7.076 -5.691 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.523 7.743 -5.020 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.140 9.377 -4.133 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.920 8.053 -5.282 1.00 0.00 H new ATOM 1113 N THR A 70 15.135 6.022 -2.914 1.00 0.00 N ATOM 1114 CA THR A 70 14.101 6.244 -1.911 1.00 0.00 C ATOM 1115 C THR A 70 14.564 5.783 -0.533 1.00 0.00 C ATOM 1116 O THR A 70 14.390 6.490 0.460 1.00 0.00 O ATOM 1117 CB THR A 70 12.798 5.508 -2.275 1.00 0.00 C ATOM 1118 OG1 THR A 70 12.688 5.381 -3.697 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.587 6.251 -1.731 1.00 0.00 C ATOM 0 H THR A 70 14.814 5.532 -3.749 1.00 0.00 H new ATOM 0 HA THR A 70 13.909 7.317 -1.887 1.00 0.00 H new ATOM 0 HB THR A 70 12.828 4.516 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.207 4.606 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.678 5.712 -2.000 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.660 6.320 -0.646 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.554 7.254 -2.157 1.00 0.00 H new ATOM 1127 N LYS A 71 15.155 4.595 -0.479 1.00 0.00 N ATOM 1128 CA LYS A 71 15.645 4.039 0.777 1.00 0.00 C ATOM 1129 C LYS A 71 14.495 3.787 1.746 1.00 0.00 C ATOM 1130 O LYS A 71 13.542 4.565 1.809 1.00 0.00 O ATOM 1131 CB LYS A 71 16.664 4.986 1.413 1.00 0.00 C ATOM 1132 CG LYS A 71 18.107 4.568 1.189 1.00 0.00 C ATOM 1133 CD LYS A 71 18.619 3.699 2.326 1.00 0.00 C ATOM 1134 CE LYS A 71 20.135 3.579 2.297 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.621 2.994 1.017 1.00 0.00 N ATOM 0 H LYS A 71 15.307 3.997 -1.292 1.00 0.00 H new ATOM 0 HA LYS A 71 16.129 3.087 0.560 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.518 5.988 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.474 5.044 2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.187 4.023 0.249 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.734 5.455 1.097 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.305 4.123 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.173 2.707 2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.580 4.564 2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.466 2.958 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.641 2.803 1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.115 2.106 0.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.447 3.664 0.241 1.00 0.00 H new ATOM 1149 N ILE A 72 14.590 2.697 2.500 1.00 0.00 N ATOM 1150 CA ILE A 72 13.558 2.346 3.467 1.00 0.00 C ATOM 1151 C ILE A 72 14.172 1.954 4.807 1.00 0.00 C ATOM 1152 O ILE A 72 15.243 1.350 4.858 1.00 0.00 O ATOM 1153 CB ILE A 72 12.681 1.187 2.959 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.609 0.837 3.993 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.540 -0.030 2.646 1.00 0.00 C ATOM 1156 CD1 ILE A 72 12.015 -0.278 4.931 1.00 0.00 C ATOM 0 H ILE A 72 15.371 2.042 2.460 1.00 0.00 H new ATOM 0 HA ILE A 72 12.935 3.231 3.599 1.00 0.00 H new ATOM 0 HB ILE A 72 12.184 1.503 2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.376 1.727 4.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.695 0.549 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.906 -0.841 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.269 0.227 1.877 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.062 -0.349 3.548 1.00 0.00 H new ATOM 0 HD11 ILE A 72 11.207 -0.472 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.220 -1.181 4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.911 0.015 5.478 1.00 0.00 H new ATOM 1168 N MET A 73 13.484 2.300 5.891 1.00 0.00 N ATOM 1169 CA MET A 73 13.960 1.981 7.232 1.00 0.00 C ATOM 1170 C MET A 73 12.971 1.075 7.959 1.00 0.00 C ATOM 1171 O MET A 73 11.779 1.373 8.029 1.00 0.00 O ATOM 1172 CB MET A 73 14.181 3.264 8.036 1.00 0.00 C ATOM 1173 CG MET A 73 15.086 4.268 7.341 1.00 0.00 C ATOM 1174 SD MET A 73 16.830 4.011 7.721 1.00 0.00 S ATOM 1175 CE MET A 73 17.127 5.352 8.870 1.00 0.00 C ATOM 0 H MET A 73 12.596 2.801 5.867 1.00 0.00 H new ATOM 0 HA MET A 73 14.908 1.452 7.138 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.216 3.731 8.231 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.612 3.007 9.003 1.00 0.00 H new ATOM 0 HG2 MET A 73 14.939 4.199 6.263 1.00 0.00 H new ATOM 0 HG3 MET A 73 14.798 5.277 7.638 1.00 0.00 H new ATOM 0 HE1 MET A 73 18.166 5.327 9.197 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.924 6.304 8.379 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.472 5.242 9.734 1.00 0.00 H new ATOM 1185 N MET A 74 13.474 -0.031 8.497 1.00 0.00 N ATOM 1186 CA MET A 74 12.633 -0.979 9.220 1.00 0.00 C ATOM 1187 C MET A 74 12.822 -0.835 10.726 1.00 0.00 C ATOM 1188 O MET A 74 13.941 -0.655 11.206 1.00 0.00 O ATOM 1189 CB MET A 74 12.956 -2.411 8.788 1.00 0.00 C ATOM 1190 CG MET A 74 12.290 -2.817 7.484 1.00 0.00 C ATOM 1191 SD MET A 74 11.809 -4.555 7.460 1.00 0.00 S ATOM 1192 CE MET A 74 11.699 -4.852 5.698 1.00 0.00 C ATOM 0 H MET A 74 14.458 -0.293 8.446 1.00 0.00 H new ATOM 0 HA MET A 74 11.592 -0.760 8.980 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.036 -2.515 8.683 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.645 -3.098 9.575 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.408 -2.198 7.323 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.972 -2.621 6.656 1.00 0.00 H new ATOM 0 HE1 MET A 74 11.410 -5.888 5.521 1.00 0.00 H new ATOM 0 HE2 MET A 74 10.953 -4.187 5.263 1.00 0.00 H new ATOM 0 HE3 MET A 74 12.668 -4.662 5.236 1.00 0.00 H new ATOM 1202 N MET A 75 11.721 -0.914 11.467 1.00 0.00 N ATOM 1203 CA MET A 75 11.768 -0.792 12.919 1.00 0.00 C ATOM 1204 C MET A 75 10.843 -1.810 13.579 1.00 0.00 C ATOM 1205 O MET A 75 9.789 -2.146 13.041 1.00 0.00 O ATOM 1206 CB MET A 75 11.375 0.623 13.347 1.00 0.00 C ATOM 1207 CG MET A 75 11.589 0.892 14.828 1.00 0.00 C ATOM 1208 SD MET A 75 11.549 2.649 15.228 1.00 0.00 S ATOM 1209 CE MET A 75 9.844 3.045 14.844 1.00 0.00 C ATOM 0 H MET A 75 10.787 -1.062 11.086 1.00 0.00 H new ATOM 0 HA MET A 75 12.790 -0.991 13.243 1.00 0.00 H new ATOM 0 HB2 MET A 75 11.954 1.343 12.768 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.325 0.789 13.104 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.820 0.375 15.402 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.549 0.476 15.134 1.00 0.00 H new ATOM 0 HE1 MET A 75 9.634 4.073 15.140 1.00 0.00 H new ATOM 0 HE2 MET A 75 9.677 2.935 13.772 1.00 0.00 H new ATOM 0 HE3 MET A 75 9.183 2.369 15.386 1.00 0.00 H new ATOM 1219 N GLY A 76 11.245 -2.298 14.749 1.00 0.00 N ATOM 1220 CA GLY A 76 10.441 -3.273 15.462 1.00 0.00 C ATOM 1221 C GLY A 76 10.444 -4.631 14.789 1.00 0.00 C ATOM 1222 O GLY A 76 9.547 -5.445 15.011 1.00 0.00 O ATOM 0 H GLY A 76 12.113 -2.035 15.215 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.817 -3.375 16.480 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.416 -2.910 15.536 1.00 0.00 H new ATOM 1226 N THR A 77 11.455 -4.878 13.962 1.00 0.00 N ATOM 1227 CA THR A 77 11.570 -6.145 13.251 1.00 0.00 C ATOM 1228 C THR A 77 12.595 -7.057 13.916 1.00 0.00 C ATOM 1229 O THR A 77 13.751 -7.116 13.498 1.00 0.00 O ATOM 1230 CB THR A 77 11.970 -5.930 11.779 1.00 0.00 C ATOM 1231 OG1 THR A 77 13.250 -5.294 11.707 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.935 -5.082 11.056 1.00 0.00 C ATOM 0 H THR A 77 12.207 -4.216 13.768 1.00 0.00 H new ATOM 0 HA THR A 77 10.588 -6.618 13.287 1.00 0.00 H new ATOM 0 HB THR A 77 12.022 -6.904 11.293 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.854 -5.700 12.363 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.239 -4.943 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.968 -5.583 11.087 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.856 -4.110 11.544 1.00 0.00 H new