USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 640 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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -149:sc= 0.0295 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.19) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0385 USER MOD Single : A 17 THR OG1 : rot 53:sc= 0.0091 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 57:sc= 0.725 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.254 (180deg=-1.48!) USER MOD Single : A 30 GLN : amide:sc= -0.798 K(o=-0.8,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.474 (180deg=-1.24) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.066 USER MOD Single : A 43 GLN : amide:sc= -3.84! C(o=-3.8!,f=-8.7!) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.045) 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= -1.59 K(o=-1.6,f=-7.8!) 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= -0.17 K(o=-0.17,f=-2.4!) USER MOD Single : A 70 THR OG1 : rot 121:sc= 0.0205 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -177:sc= -2.28 (180deg=-2.4) USER MOD Single : A 75 MET CE :methyl 180:sc=-0.00545 (180deg=-0.00545) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.610 1.237 -2.675 1.00 5.42 N ATOM 19 CA ALA A 2 5.332 2.398 -3.183 1.00 31.41 C ATOM 20 C ALA A 2 4.367 3.483 -3.648 1.00 44.23 C ATOM 21 O ALA A 2 3.364 3.198 -4.304 1.00 23.44 O ATOM 22 CB ALA A 2 6.257 1.988 -4.320 1.00 34.24 C ATOM 0 HA ALA A 2 5.933 2.807 -2.370 1.00 31.41 H new ATOM 0 HB1 ALA A 2 6.790 2.864 -4.690 1.00 34.24 H new ATOM 0 HB2 ALA A 2 6.975 1.253 -3.957 1.00 34.24 H new ATOM 0 HB3 ALA A 2 5.669 1.553 -5.128 1.00 34.24 H new ATOM 28 N LEU A 3 4.676 4.729 -3.305 1.00 62.23 N ATOM 29 CA LEU A 3 3.836 5.858 -3.688 1.00 12.43 C ATOM 30 C LEU A 3 4.500 6.684 -4.784 1.00 50.55 C ATOM 31 O LEU A 3 5.516 7.346 -4.569 1.00 32.34 O ATOM 32 CB LEU A 3 3.549 6.741 -2.472 1.00 22.25 C ATOM 33 CG LEU A 3 3.612 8.250 -2.708 1.00 2.23 C ATOM 34 CD1 LEU A 3 2.508 8.688 -3.658 1.00 4.43 C ATOM 35 CD2 LEU A 3 3.512 9.001 -1.388 1.00 12.21 C ATOM 0 H LEU A 3 5.502 4.983 -2.763 1.00 62.23 H new ATOM 0 HA LEU A 3 2.896 5.465 -4.074 1.00 12.43 H new ATOM 0 HB2 LEU A 3 2.557 6.494 -2.095 1.00 22.25 H new ATOM 0 HB3 LEU A 3 4.261 6.486 -1.687 1.00 22.25 H new ATOM 0 HG LEU A 3 4.572 8.487 -3.166 1.00 2.23 H new ATOM 0 HD11 LEU A 3 2.568 9.765 -3.814 1.00 4.43 H new ATOM 0 HD12 LEU A 3 2.625 8.176 -4.613 1.00 4.43 H new ATOM 0 HD13 LEU A 3 1.538 8.438 -3.229 1.00 4.43 H new ATOM 0 HD21 LEU A 3 3.559 10.074 -1.575 1.00 12.21 H new ATOM 0 HD22 LEU A 3 2.567 8.758 -0.902 1.00 12.21 H new ATOM 0 HD23 LEU A 3 4.339 8.710 -0.740 1.00 12.21 H new ATOM 47 N PRO A 4 3.913 6.649 -5.990 1.00 31.00 N ATOM 48 CA PRO A 4 4.429 7.391 -7.144 1.00 42.00 C ATOM 49 C PRO A 4 4.249 8.898 -6.992 1.00 62.42 C ATOM 50 O PRO A 4 3.378 9.356 -6.252 1.00 45.52 O ATOM 51 CB PRO A 4 3.586 6.866 -8.309 1.00 1.50 C ATOM 52 CG PRO A 4 2.320 6.398 -7.679 1.00 53.24 C ATOM 53 CD PRO A 4 2.700 5.882 -6.319 1.00 53.11 C ATOM 0 HA PRO A 4 5.501 7.245 -7.276 1.00 42.00 H new ATOM 0 HB2 PRO A 4 3.397 7.648 -9.045 1.00 1.50 H new ATOM 0 HB3 PRO A 4 4.093 6.054 -8.830 1.00 1.50 H new ATOM 0 HG2 PRO A 4 1.599 7.212 -7.600 1.00 53.24 H new ATOM 0 HG3 PRO A 4 1.853 5.615 -8.277 1.00 53.24 H new ATOM 0 HD2 PRO A 4 1.908 6.050 -5.590 1.00 53.11 H new ATOM 0 HD3 PRO A 4 2.895 4.810 -6.336 1.00 53.11 H new ATOM 61 N ILE A 5 5.077 9.662 -7.697 1.00 72.40 N ATOM 62 CA ILE A 5 5.007 11.116 -7.641 1.00 50.50 C ATOM 63 C ILE A 5 5.438 11.739 -8.965 1.00 32.22 C ATOM 64 O ILE A 5 6.437 11.332 -9.557 1.00 65.44 O ATOM 65 CB ILE A 5 5.889 11.679 -6.511 1.00 10.31 C ATOM 66 CG1 ILE A 5 5.469 11.087 -5.164 1.00 5.11 C ATOM 67 CG2 ILE A 5 5.803 13.198 -6.478 1.00 74.10 C ATOM 68 CD1 ILE A 5 6.167 11.721 -3.981 1.00 44.53 C ATOM 0 H ILE A 5 5.804 9.298 -8.313 1.00 72.40 H new ATOM 0 HA ILE A 5 3.967 11.374 -7.442 1.00 50.50 H new ATOM 0 HB ILE A 5 6.924 11.398 -6.704 1.00 10.31 H new ATOM 0 HG12 ILE A 5 4.392 11.204 -5.045 1.00 5.11 H new ATOM 0 HG13 ILE A 5 5.675 10.017 -5.166 1.00 5.11 H new ATOM 0 HG21 ILE A 5 6.432 13.581 -5.674 1.00 74.10 H new ATOM 0 HG22 ILE A 5 6.145 13.603 -7.430 1.00 74.10 H new ATOM 0 HG23 ILE A 5 4.770 13.500 -6.306 1.00 74.10 H new ATOM 0 HD11 ILE A 5 5.821 11.252 -3.060 1.00 44.53 H new ATOM 0 HD12 ILE A 5 7.244 11.582 -4.076 1.00 44.53 H new ATOM 0 HD13 ILE A 5 5.940 12.787 -3.953 1.00 44.53 H new ATOM 80 N ILE A 6 4.678 12.728 -9.422 1.00 1.51 N ATOM 81 CA ILE A 6 4.983 13.409 -10.674 1.00 42.22 C ATOM 82 C ILE A 6 5.800 14.673 -10.428 1.00 11.20 C ATOM 83 O ILE A 6 5.562 15.401 -9.464 1.00 52.33 O ATOM 84 CB ILE A 6 3.700 13.782 -11.440 1.00 33.24 C ATOM 85 CG1 ILE A 6 3.101 12.543 -12.109 1.00 64.02 C ATOM 86 CG2 ILE A 6 3.993 14.859 -12.473 1.00 1.43 C ATOM 87 CD1 ILE A 6 1.600 12.440 -11.958 1.00 51.10 C ATOM 0 H ILE A 6 3.847 13.076 -8.944 1.00 1.51 H new ATOM 0 HA ILE A 6 5.567 12.713 -11.277 1.00 42.22 H new ATOM 0 HB ILE A 6 2.973 14.176 -10.730 1.00 33.24 H new ATOM 0 HG12 ILE A 6 3.351 12.556 -13.170 1.00 64.02 H new ATOM 0 HG13 ILE A 6 3.563 11.652 -11.684 1.00 64.02 H new ATOM 0 HG21 ILE A 6 3.076 15.111 -13.006 1.00 1.43 H new ATOM 0 HG22 ILE A 6 4.378 15.748 -11.973 1.00 1.43 H new ATOM 0 HG23 ILE A 6 4.735 14.491 -13.182 1.00 1.43 H new ATOM 0 HD11 ILE A 6 1.245 11.538 -12.457 1.00 51.10 H new ATOM 0 HD12 ILE A 6 1.343 12.395 -10.900 1.00 51.10 H new ATOM 0 HD13 ILE A 6 1.128 13.313 -12.409 1.00 51.10 H new ATOM 99 N VAL A 7 6.764 14.929 -11.307 1.00 54.21 N ATOM 100 CA VAL A 7 7.614 16.107 -11.187 1.00 43.25 C ATOM 101 C VAL A 7 7.628 16.909 -12.484 1.00 1.10 C ATOM 102 O VAL A 7 7.968 16.388 -13.546 1.00 61.23 O ATOM 103 CB VAL A 7 9.059 15.721 -10.820 1.00 64.13 C ATOM 104 CG1 VAL A 7 9.653 14.805 -11.880 1.00 20.12 C ATOM 105 CG2 VAL A 7 9.914 16.966 -10.641 1.00 2.40 C ATOM 0 H VAL A 7 6.975 14.336 -12.110 1.00 54.21 H new ATOM 0 HA VAL A 7 7.195 16.720 -10.389 1.00 43.25 H new ATOM 0 HB VAL A 7 9.043 15.180 -9.874 1.00 64.13 H new ATOM 0 HG11 VAL A 7 10.674 14.543 -11.604 1.00 20.12 H new ATOM 0 HG12 VAL A 7 9.053 13.898 -11.955 1.00 20.12 H new ATOM 0 HG13 VAL A 7 9.658 15.317 -12.842 1.00 20.12 H new ATOM 0 HG21 VAL A 7 10.932 16.674 -10.382 1.00 2.40 H new ATOM 0 HG22 VAL A 7 9.925 17.536 -11.570 1.00 2.40 H new ATOM 0 HG23 VAL A 7 9.499 17.581 -9.843 1.00 2.40 H new ATOM 115 N LYS A 8 7.256 18.181 -12.390 1.00 44.32 N ATOM 116 CA LYS A 8 7.227 19.058 -13.555 1.00 1.23 C ATOM 117 C LYS A 8 8.367 20.070 -13.503 1.00 3.13 C ATOM 118 O LYS A 8 8.474 20.850 -12.557 1.00 2.44 O ATOM 119 CB LYS A 8 5.885 19.790 -13.634 1.00 62.34 C ATOM 120 CG LYS A 8 5.617 20.699 -12.448 1.00 12.21 C ATOM 121 CD LYS A 8 4.133 20.781 -12.132 1.00 73.32 C ATOM 122 CE LYS A 8 3.409 21.714 -13.091 1.00 64.21 C ATOM 123 NZ LYS A 8 3.129 23.038 -12.471 1.00 13.15 N ATOM 0 H LYS A 8 6.970 18.628 -11.519 1.00 44.32 H new ATOM 0 HA LYS A 8 7.352 18.442 -14.446 1.00 1.23 H new ATOM 0 HB2 LYS A 8 5.857 20.382 -14.549 1.00 62.34 H new ATOM 0 HB3 LYS A 8 5.083 19.055 -13.706 1.00 62.34 H new ATOM 0 HG2 LYS A 8 6.156 20.329 -11.576 1.00 12.21 H new ATOM 0 HG3 LYS A 8 6.001 21.697 -12.660 1.00 12.21 H new ATOM 0 HD2 LYS A 8 3.692 19.786 -12.189 1.00 73.32 H new ATOM 0 HD3 LYS A 8 3.997 21.132 -11.109 1.00 73.32 H new ATOM 0 HE2 LYS A 8 4.013 21.853 -13.988 1.00 64.21 H new ATOM 0 HE3 LYS A 8 2.472 21.255 -13.406 1.00 64.21 H new ATOM 0 HZ1 LYS A 8 2.635 23.645 -13.156 1.00 13.15 H new ATOM 0 HZ2 LYS A 8 2.531 22.908 -11.630 1.00 13.15 H new ATOM 0 HZ3 LYS A 8 4.025 23.488 -12.193 1.00 13.15 H new ATOM 137 N TRP A 9 9.215 20.052 -14.525 1.00 11.11 N ATOM 138 CA TRP A 9 10.346 20.970 -14.596 1.00 24.35 C ATOM 139 C TRP A 9 10.283 21.815 -15.863 1.00 1.44 C ATOM 140 O TRP A 9 10.640 21.355 -16.946 1.00 70.21 O ATOM 141 CB TRP A 9 11.663 20.193 -14.551 1.00 61.34 C ATOM 142 CG TRP A 9 12.834 20.978 -15.060 1.00 53.23 C ATOM 143 CD1 TRP A 9 13.736 20.584 -16.007 1.00 12.30 C ATOM 144 CD2 TRP A 9 13.229 22.291 -14.648 1.00 42.00 C ATOM 145 NE1 TRP A 9 14.668 21.573 -16.208 1.00 43.31 N ATOM 146 CE2 TRP A 9 14.379 22.631 -15.387 1.00 41.02 C ATOM 147 CE3 TRP A 9 12.723 23.213 -13.728 1.00 52.23 C ATOM 148 CZ2 TRP A 9 15.029 23.853 -15.232 1.00 71.42 C ATOM 149 CZ3 TRP A 9 13.369 24.425 -13.575 1.00 41.05 C ATOM 150 CH2 TRP A 9 14.512 24.736 -14.325 1.00 15.44 C ATOM 0 H TRP A 9 9.141 19.412 -15.316 1.00 11.11 H new ATOM 0 HA TRP A 9 10.296 21.636 -13.735 1.00 24.35 H new ATOM 0 HB2 TRP A 9 11.860 19.885 -13.524 1.00 61.34 H new ATOM 0 HB3 TRP A 9 11.560 19.283 -15.142 1.00 61.34 H new ATOM 0 HD1 TRP A 9 13.719 19.635 -16.522 1.00 12.30 H new ATOM 0 HE1 TRP A 9 15.449 21.527 -16.863 1.00 43.31 H new ATOM 0 HE3 TRP A 9 11.842 22.982 -13.147 1.00 52.23 H new ATOM 0 HZ2 TRP A 9 15.910 24.095 -15.808 1.00 71.42 H new ATOM 0 HZ3 TRP A 9 12.987 25.145 -12.866 1.00 41.05 H new ATOM 0 HH2 TRP A 9 14.994 25.692 -14.184 1.00 15.44 H new ATOM 161 N GLY A 10 9.827 23.056 -15.719 1.00 75.01 N ATOM 162 CA GLY A 10 9.725 23.946 -16.861 1.00 23.11 C ATOM 163 C GLY A 10 8.341 23.940 -17.480 1.00 4.25 C ATOM 164 O GLY A 10 7.517 24.803 -17.181 1.00 33.23 O ATOM 0 H GLY A 10 9.527 23.461 -14.832 1.00 75.01 H new ATOM 0 HA2 GLY A 10 9.976 24.960 -16.551 1.00 23.11 H new ATOM 0 HA3 GLY A 10 10.457 23.652 -17.613 1.00 23.11 H new ATOM 168 N GLY A 11 8.086 22.965 -18.347 1.00 23.04 N ATOM 169 CA GLY A 11 6.792 22.870 -18.997 1.00 3.22 C ATOM 170 C GLY A 11 6.414 21.441 -19.330 1.00 64.43 C ATOM 171 O GLY A 11 5.568 21.201 -20.191 1.00 13.13 O ATOM 0 H GLY A 11 8.752 22.239 -18.611 1.00 23.04 H new ATOM 0 HA2 GLY A 11 6.030 23.302 -18.348 1.00 3.22 H new ATOM 0 HA3 GLY A 11 6.804 23.462 -19.912 1.00 3.22 H new ATOM 175 N GLN A 12 7.045 20.489 -18.649 1.00 54.21 N ATOM 176 CA GLN A 12 6.771 19.076 -18.880 1.00 72.22 C ATOM 177 C GLN A 12 6.455 18.361 -17.570 1.00 43.24 C ATOM 178 O GLN A 12 6.555 18.948 -16.493 1.00 62.34 O ATOM 179 CB GLN A 12 7.965 18.408 -19.564 1.00 42.43 C ATOM 180 CG GLN A 12 8.110 18.778 -21.032 1.00 22.42 C ATOM 181 CD GLN A 12 7.542 17.721 -21.958 1.00 65.53 C ATOM 182 OE1 GLN A 12 7.862 16.537 -21.839 1.00 2.40 O ATOM 183 NE2 GLN A 12 6.695 18.142 -22.889 1.00 55.41 N ATOM 0 H GLN A 12 7.749 20.671 -17.933 1.00 54.21 H new ATOM 0 HA GLN A 12 5.900 19.003 -19.532 1.00 72.22 H new ATOM 0 HB2 GLN A 12 8.877 18.685 -19.036 1.00 42.43 H new ATOM 0 HB3 GLN A 12 7.864 17.326 -19.479 1.00 42.43 H new ATOM 0 HG2 GLN A 12 7.605 19.726 -21.216 1.00 22.42 H new ATOM 0 HG3 GLN A 12 9.165 18.929 -21.262 1.00 22.42 H new ATOM 0 HE21 GLN A 12 6.457 19.132 -22.952 1.00 55.41 H new ATOM 0 HE22 GLN A 12 6.282 17.476 -23.541 1.00 55.41 H new ATOM 192 N GLU A 13 6.074 17.092 -17.671 1.00 72.35 N ATOM 193 CA GLU A 13 5.743 16.298 -16.494 1.00 15.22 C ATOM 194 C GLU A 13 6.421 14.932 -16.550 1.00 11.45 C ATOM 195 O GLU A 13 6.498 14.308 -17.608 1.00 41.31 O ATOM 196 CB GLU A 13 4.227 16.123 -16.379 1.00 72.24 C ATOM 197 CG GLU A 13 3.480 17.423 -16.133 1.00 44.25 C ATOM 198 CD GLU A 13 1.980 17.225 -16.035 1.00 3.12 C ATOM 199 OE1 GLU A 13 1.551 16.288 -15.329 1.00 4.21 O ATOM 200 OE2 GLU A 13 1.235 18.006 -16.663 1.00 25.10 O ATOM 0 H GLU A 13 5.987 16.592 -18.556 1.00 72.35 H new ATOM 0 HA GLU A 13 6.108 16.829 -15.615 1.00 15.22 H new ATOM 0 HB2 GLU A 13 3.852 15.666 -17.295 1.00 72.24 H new ATOM 0 HB3 GLU A 13 4.011 15.430 -15.566 1.00 72.24 H new ATOM 0 HG2 GLU A 13 3.844 17.878 -15.211 1.00 44.25 H new ATOM 0 HG3 GLU A 13 3.698 18.122 -16.941 1.00 44.25 H new ATOM 207 N TYR A 14 6.911 14.475 -15.403 1.00 4.10 N ATOM 208 CA TYR A 14 7.586 13.185 -15.321 1.00 1.13 C ATOM 209 C TYR A 14 7.122 12.405 -14.095 1.00 32.41 C ATOM 210 O TYR A 14 7.340 12.824 -12.958 1.00 45.04 O ATOM 211 CB TYR A 14 9.102 13.381 -15.270 1.00 42.30 C ATOM 212 CG TYR A 14 9.662 14.091 -16.482 1.00 71.23 C ATOM 213 CD1 TYR A 14 9.494 15.460 -16.649 1.00 73.03 C ATOM 214 CD2 TYR A 14 10.358 13.392 -17.461 1.00 53.21 C ATOM 215 CE1 TYR A 14 10.003 16.112 -17.756 1.00 14.55 C ATOM 216 CE2 TYR A 14 10.871 14.037 -18.570 1.00 23.43 C ATOM 217 CZ TYR A 14 10.691 15.397 -18.713 1.00 20.44 C ATOM 218 OH TYR A 14 11.200 16.042 -19.816 1.00 71.03 O ATOM 0 H TYR A 14 6.854 14.978 -14.518 1.00 4.10 H new ATOM 0 HA TYR A 14 7.330 12.612 -16.213 1.00 1.13 H new ATOM 0 HB2 TYR A 14 9.356 13.950 -14.376 1.00 42.30 H new ATOM 0 HB3 TYR A 14 9.583 12.407 -15.175 1.00 42.30 H new ATOM 0 HD1 TYR A 14 8.957 16.024 -15.901 1.00 73.03 H new ATOM 0 HD2 TYR A 14 10.500 12.327 -17.353 1.00 53.21 H new ATOM 0 HE1 TYR A 14 9.862 17.177 -17.871 1.00 14.55 H new ATOM 0 HE2 TYR A 14 11.410 13.479 -19.321 1.00 23.43 H new ATOM 0 HH TYR A 14 11.657 15.394 -20.392 1.00 71.03 H new ATOM 228 N SER A 15 6.480 11.266 -14.335 1.00 33.21 N ATOM 229 CA SER A 15 5.981 10.427 -13.252 1.00 31.53 C ATOM 230 C SER A 15 7.092 9.543 -12.693 1.00 3.20 C ATOM 231 O SER A 15 7.840 8.917 -13.444 1.00 22.10 O ATOM 232 CB SER A 15 4.822 9.558 -13.744 1.00 31.52 C ATOM 233 OG SER A 15 5.090 9.032 -15.032 1.00 60.31 O ATOM 0 H SER A 15 6.293 10.903 -15.270 1.00 33.21 H new ATOM 0 HA SER A 15 5.624 11.080 -12.455 1.00 31.53 H new ATOM 0 HB2 SER A 15 4.652 8.741 -13.042 1.00 31.52 H new ATOM 0 HB3 SER A 15 3.907 10.149 -13.772 1.00 31.52 H new ATOM 0 HG SER A 15 4.335 8.479 -15.323 1.00 60.31 H new ATOM 239 N VAL A 16 7.194 9.498 -11.368 1.00 43.14 N ATOM 240 CA VAL A 16 8.213 8.691 -10.707 1.00 51.21 C ATOM 241 C VAL A 16 7.656 7.333 -10.294 1.00 41.43 C ATOM 242 O VAL A 16 6.521 7.231 -9.827 1.00 24.34 O ATOM 243 CB VAL A 16 8.773 9.404 -9.462 1.00 13.31 C ATOM 244 CG1 VAL A 16 9.751 8.502 -8.724 1.00 54.43 C ATOM 245 CG2 VAL A 16 9.436 10.716 -9.853 1.00 13.51 C ATOM 0 H VAL A 16 6.584 10.011 -10.732 1.00 43.14 H new ATOM 0 HA VAL A 16 9.019 8.546 -11.427 1.00 51.21 H new ATOM 0 HB VAL A 16 7.945 9.628 -8.790 1.00 13.31 H new ATOM 0 HG11 VAL A 16 10.136 9.023 -7.847 1.00 54.43 H new ATOM 0 HG12 VAL A 16 9.240 7.592 -8.410 1.00 54.43 H new ATOM 0 HG13 VAL A 16 10.578 8.244 -9.385 1.00 54.43 H new ATOM 0 HG21 VAL A 16 9.826 11.207 -8.961 1.00 13.51 H new ATOM 0 HG22 VAL A 16 10.254 10.518 -10.545 1.00 13.51 H new ATOM 0 HG23 VAL A 16 8.703 11.365 -10.333 1.00 13.51 H new ATOM 255 N THR A 17 8.462 6.291 -10.470 1.00 23.02 N ATOM 256 CA THR A 17 8.051 4.938 -10.116 1.00 53.34 C ATOM 257 C THR A 17 9.242 4.102 -9.662 1.00 54.15 C ATOM 258 O THR A 17 9.937 3.497 -10.479 1.00 73.14 O ATOM 259 CB THR A 17 7.364 4.233 -11.301 1.00 20.41 C ATOM 260 OG1 THR A 17 8.029 4.568 -12.524 1.00 3.23 O ATOM 261 CG2 THR A 17 5.898 4.628 -11.390 1.00 52.13 C ATOM 0 H THR A 17 9.404 6.358 -10.856 1.00 23.02 H new ATOM 0 HA THR A 17 7.341 5.028 -9.294 1.00 53.34 H new ATOM 0 HB THR A 17 7.425 3.157 -11.139 1.00 20.41 H new ATOM 0 HG1 THR A 17 8.989 4.392 -12.433 1.00 3.23 H new ATOM 0 HG21 THR A 17 5.434 4.118 -12.234 1.00 52.13 H new ATOM 0 HG22 THR A 17 5.388 4.344 -10.470 1.00 52.13 H new ATOM 0 HG23 THR A 17 5.820 5.706 -11.530 1.00 52.13 H new ATOM 269 N THR A 18 9.473 4.071 -8.354 1.00 12.24 N ATOM 270 CA THR A 18 10.580 3.309 -7.791 1.00 4.21 C ATOM 271 C THR A 18 10.728 3.575 -6.297 1.00 50.22 C ATOM 272 O THR A 18 11.199 2.719 -5.547 1.00 45.32 O ATOM 273 CB THR A 18 11.909 3.646 -8.494 1.00 73.25 C ATOM 274 OG1 THR A 18 13.011 3.177 -7.710 1.00 61.11 O ATOM 275 CG2 THR A 18 12.039 5.145 -8.716 1.00 52.12 C ATOM 0 H THR A 18 8.908 4.565 -7.664 1.00 12.24 H new ATOM 0 HA THR A 18 10.350 2.255 -7.949 1.00 4.21 H new ATOM 0 HB THR A 18 11.917 3.149 -9.464 1.00 73.25 H new ATOM 0 HG1 THR A 18 13.852 3.394 -8.165 1.00 61.11 H new ATOM 0 HG21 THR A 18 12.985 5.358 -9.214 1.00 52.12 H new ATOM 0 HG22 THR A 18 11.215 5.493 -9.338 1.00 52.12 H new ATOM 0 HG23 THR A 18 12.010 5.659 -7.755 1.00 52.12 H new ATOM 283 N LEU A 19 10.322 4.766 -5.870 1.00 71.22 N ATOM 284 CA LEU A 19 10.408 5.145 -4.464 1.00 63.31 C ATOM 285 C LEU A 19 9.171 4.686 -3.699 1.00 72.35 C ATOM 286 O LEU A 19 8.086 4.565 -4.269 1.00 2.41 O ATOM 287 CB LEU A 19 10.570 6.660 -4.333 1.00 11.21 C ATOM 288 CG LEU A 19 11.972 7.158 -3.979 1.00 33.54 C ATOM 289 CD1 LEU A 19 12.325 6.783 -2.547 1.00 51.45 C ATOM 290 CD2 LEU A 19 12.999 6.593 -4.949 1.00 21.54 C ATOM 0 H LEU A 19 9.930 5.486 -6.477 1.00 71.22 H new ATOM 0 HA LEU A 19 11.281 4.654 -4.034 1.00 63.31 H new ATOM 0 HB2 LEU A 19 10.270 7.120 -5.275 1.00 11.21 H new ATOM 0 HB3 LEU A 19 9.877 7.015 -3.570 1.00 11.21 H new ATOM 0 HG LEU A 19 11.983 8.245 -4.062 1.00 33.54 H new ATOM 0 HD11 LEU A 19 13.326 7.145 -2.312 1.00 51.45 H new ATOM 0 HD12 LEU A 19 11.606 7.236 -1.864 1.00 51.45 H new ATOM 0 HD13 LEU A 19 12.296 5.699 -2.437 1.00 51.45 H new ATOM 0 HD21 LEU A 19 13.991 6.958 -4.682 1.00 21.54 H new ATOM 0 HD22 LEU A 19 12.987 5.504 -4.898 1.00 21.54 H new ATOM 0 HD23 LEU A 19 12.756 6.912 -5.963 1.00 21.54 H new ATOM 302 N SER A 20 9.341 4.433 -2.406 1.00 30.33 N ATOM 303 CA SER A 20 8.238 3.986 -1.563 1.00 23.52 C ATOM 304 C SER A 20 8.192 4.781 -0.262 1.00 31.13 C ATOM 305 O SER A 20 9.161 5.443 0.108 1.00 62.50 O ATOM 306 CB SER A 20 8.375 2.493 -1.257 1.00 24.13 C ATOM 307 OG SER A 20 9.650 2.008 -1.642 1.00 1.33 O ATOM 0 H SER A 20 10.232 4.530 -1.919 1.00 30.33 H new ATOM 0 HA SER A 20 7.307 4.155 -2.105 1.00 23.52 H new ATOM 0 HB2 SER A 20 8.224 2.322 -0.191 1.00 24.13 H new ATOM 0 HB3 SER A 20 7.598 1.938 -1.782 1.00 24.13 H new ATOM 0 HG SER A 20 10.348 2.527 -1.190 1.00 1.33 H new ATOM 313 N GLU A 21 7.057 4.710 0.428 1.00 43.45 N ATOM 314 CA GLU A 21 6.884 5.425 1.687 1.00 72.40 C ATOM 315 C GLU A 21 7.974 5.042 2.684 1.00 34.32 C ATOM 316 O GLU A 21 8.277 5.796 3.609 1.00 52.14 O ATOM 317 CB GLU A 21 5.506 5.127 2.282 1.00 53.32 C ATOM 318 CG GLU A 21 4.358 5.399 1.324 1.00 71.21 C ATOM 319 CD GLU A 21 3.010 5.016 1.905 1.00 44.43 C ATOM 320 OE1 GLU A 21 2.875 3.871 2.383 1.00 72.52 O ATOM 321 OE2 GLU A 21 2.092 5.862 1.881 1.00 30.02 O ATOM 0 H GLU A 21 6.245 4.165 0.137 1.00 43.45 H new ATOM 0 HA GLU A 21 6.961 6.493 1.483 1.00 72.40 H new ATOM 0 HB2 GLU A 21 5.471 4.082 2.591 1.00 53.32 H new ATOM 0 HB3 GLU A 21 5.369 5.729 3.180 1.00 53.32 H new ATOM 0 HG2 GLU A 21 4.350 6.457 1.064 1.00 71.21 H new ATOM 0 HG3 GLU A 21 4.522 4.845 0.400 1.00 71.21 H new ATOM 328 N ASP A 22 8.558 3.865 2.490 1.00 70.34 N ATOM 329 CA ASP A 22 9.614 3.381 3.371 1.00 64.43 C ATOM 330 C ASP A 22 10.875 4.226 3.223 1.00 43.50 C ATOM 331 O ASP A 22 11.797 4.131 4.033 1.00 2.13 O ATOM 332 CB ASP A 22 9.930 1.915 3.067 1.00 52.22 C ATOM 333 CG ASP A 22 10.560 1.202 4.247 1.00 70.22 C ATOM 334 OD1 ASP A 22 11.799 1.267 4.386 1.00 0.23 O ATOM 335 OD2 ASP A 22 9.814 0.577 5.030 1.00 1.32 O ATOM 0 H ASP A 22 8.318 3.228 1.730 1.00 70.34 H new ATOM 0 HA ASP A 22 9.261 3.463 4.399 1.00 64.43 H new ATOM 0 HB2 ASP A 22 9.012 1.400 2.783 1.00 52.22 H new ATOM 0 HB3 ASP A 22 10.604 1.861 2.212 1.00 52.22 H new ATOM 340 N ASP A 23 10.909 5.053 2.183 1.00 32.42 N ATOM 341 CA ASP A 23 12.057 5.915 1.929 1.00 55.51 C ATOM 342 C ASP A 23 11.796 7.330 2.436 1.00 13.32 C ATOM 343 O ASP A 23 11.056 7.530 3.400 1.00 34.11 O ATOM 344 CB ASP A 23 12.376 5.947 0.434 1.00 42.45 C ATOM 345 CG ASP A 23 12.362 4.566 -0.191 1.00 41.11 C ATOM 346 OD1 ASP A 23 11.264 3.986 -0.324 1.00 71.04 O ATOM 347 OD2 ASP A 23 13.449 4.065 -0.548 1.00 11.54 O ATOM 0 H ASP A 23 10.155 5.144 1.503 1.00 32.42 H new ATOM 0 HA ASP A 23 12.913 5.507 2.467 1.00 55.51 H new ATOM 0 HB2 ASP A 23 11.650 6.581 -0.076 1.00 42.45 H new ATOM 0 HB3 ASP A 23 13.356 6.400 0.284 1.00 42.45 H new ATOM 352 N THR A 24 12.410 8.311 1.781 1.00 15.13 N ATOM 353 CA THR A 24 12.246 9.707 2.167 1.00 51.01 C ATOM 354 C THR A 24 11.943 10.580 0.955 1.00 54.32 C ATOM 355 O THR A 24 12.024 10.126 -0.186 1.00 74.34 O ATOM 356 CB THR A 24 13.505 10.246 2.872 1.00 52.31 C ATOM 357 OG1 THR A 24 14.625 9.400 2.590 1.00 51.14 O ATOM 358 CG2 THR A 24 13.290 10.327 4.376 1.00 41.13 C ATOM 0 H THR A 24 13.025 8.164 0.981 1.00 15.13 H new ATOM 0 HA THR A 24 11.405 9.747 2.860 1.00 51.01 H new ATOM 0 HB THR A 24 13.704 11.249 2.495 1.00 52.31 H new ATOM 0 HG1 THR A 24 15.422 9.751 3.041 1.00 51.14 H new ATOM 0 HG21 THR A 24 14.192 10.710 4.852 1.00 41.13 H new ATOM 0 HG22 THR A 24 12.456 10.995 4.589 1.00 41.13 H new ATOM 0 HG23 THR A 24 13.068 9.334 4.766 1.00 41.13 H new ATOM 366 N VAL A 25 11.594 11.837 1.209 1.00 15.43 N ATOM 367 CA VAL A 25 11.280 12.776 0.138 1.00 32.42 C ATOM 368 C VAL A 25 12.518 13.098 -0.690 1.00 44.10 C ATOM 369 O VAL A 25 12.464 13.137 -1.920 1.00 73.40 O ATOM 370 CB VAL A 25 10.692 14.086 0.694 1.00 10.13 C ATOM 371 CG1 VAL A 25 10.105 14.927 -0.429 1.00 1.20 C ATOM 372 CG2 VAL A 25 9.642 13.791 1.755 1.00 60.12 C ATOM 0 H VAL A 25 11.521 12.229 2.148 1.00 15.43 H new ATOM 0 HA VAL A 25 10.537 12.295 -0.497 1.00 32.42 H new ATOM 0 HB VAL A 25 11.496 14.656 1.160 1.00 10.13 H new ATOM 0 HG11 VAL A 25 9.694 15.849 -0.017 1.00 1.20 H new ATOM 0 HG12 VAL A 25 10.886 15.168 -1.149 1.00 1.20 H new ATOM 0 HG13 VAL A 25 9.313 14.368 -0.927 1.00 1.20 H new ATOM 0 HG21 VAL A 25 9.237 14.728 2.137 1.00 60.12 H new ATOM 0 HG22 VAL A 25 8.838 13.200 1.317 1.00 60.12 H new ATOM 0 HG23 VAL A 25 10.098 13.233 2.573 1.00 60.12 H new ATOM 382 N LEU A 26 13.635 13.329 -0.009 1.00 1.13 N ATOM 383 CA LEU A 26 14.890 13.648 -0.681 1.00 53.24 C ATOM 384 C LEU A 26 15.321 12.508 -1.599 1.00 12.51 C ATOM 385 O LEU A 26 15.998 12.729 -2.603 1.00 52.02 O ATOM 386 CB LEU A 26 15.985 13.932 0.348 1.00 63.22 C ATOM 387 CG LEU A 26 16.905 12.759 0.690 1.00 40.05 C ATOM 388 CD1 LEU A 26 18.089 12.714 -0.264 1.00 73.52 C ATOM 389 CD2 LEU A 26 17.383 12.858 2.131 1.00 54.30 C ATOM 0 H LEU A 26 13.697 13.301 1.009 1.00 1.13 H new ATOM 0 HA LEU A 26 14.732 14.539 -1.289 1.00 53.24 H new ATOM 0 HB2 LEU A 26 16.599 14.753 -0.022 1.00 63.22 H new ATOM 0 HB3 LEU A 26 15.511 14.276 1.267 1.00 63.22 H new ATOM 0 HG LEU A 26 16.339 11.834 0.579 1.00 40.05 H new ATOM 0 HD11 LEU A 26 18.733 11.873 -0.006 1.00 73.52 H new ATOM 0 HD12 LEU A 26 17.729 12.595 -1.286 1.00 73.52 H new ATOM 0 HD13 LEU A 26 18.655 13.642 -0.185 1.00 73.52 H new ATOM 0 HD21 LEU A 26 18.036 12.015 2.356 1.00 54.30 H new ATOM 0 HD22 LEU A 26 17.932 13.790 2.269 1.00 54.30 H new ATOM 0 HD23 LEU A 26 16.524 12.840 2.801 1.00 54.30 H new ATOM 401 N ASP A 27 14.922 11.291 -1.248 1.00 64.31 N ATOM 402 CA ASP A 27 15.265 10.116 -2.042 1.00 14.12 C ATOM 403 C ASP A 27 14.513 10.119 -3.369 1.00 52.31 C ATOM 404 O ASP A 27 15.042 9.690 -4.396 1.00 12.35 O ATOM 405 CB ASP A 27 14.946 8.838 -1.264 1.00 40.20 C ATOM 406 CG ASP A 27 15.751 7.649 -1.750 1.00 31.11 C ATOM 407 OD1 ASP A 27 16.362 7.750 -2.834 1.00 73.42 O ATOM 408 OD2 ASP A 27 15.769 6.617 -1.046 1.00 43.12 O ATOM 0 H ASP A 27 14.361 11.092 -0.420 1.00 64.31 H new ATOM 0 HA ASP A 27 16.334 10.148 -2.251 1.00 14.12 H new ATOM 0 HB2 ASP A 27 15.147 9.001 -0.205 1.00 40.20 H new ATOM 0 HB3 ASP A 27 13.883 8.616 -1.356 1.00 40.20 H new ATOM 413 N LEU A 28 13.277 10.604 -3.342 1.00 15.53 N ATOM 414 CA LEU A 28 12.451 10.663 -4.543 1.00 34.32 C ATOM 415 C LEU A 28 12.810 11.877 -5.393 1.00 2.35 C ATOM 416 O LEU A 28 12.990 11.769 -6.606 1.00 24.24 O ATOM 417 CB LEU A 28 10.969 10.711 -4.165 1.00 21.11 C ATOM 418 CG LEU A 28 9.988 10.223 -5.232 1.00 1.42 C ATOM 419 CD1 LEU A 28 8.898 9.368 -4.604 1.00 43.30 C ATOM 420 CD2 LEU A 28 9.380 11.403 -5.976 1.00 44.14 C ATOM 0 H LEU A 28 12.824 10.962 -2.501 1.00 15.53 H new ATOM 0 HA LEU A 28 12.642 9.764 -5.129 1.00 34.32 H new ATOM 0 HB2 LEU A 28 10.824 10.112 -3.266 1.00 21.11 H new ATOM 0 HB3 LEU A 28 10.713 11.739 -3.908 1.00 21.11 H new ATOM 0 HG LEU A 28 10.535 9.610 -5.948 1.00 1.42 H new ATOM 0 HD11 LEU A 28 8.209 9.030 -5.378 1.00 43.30 H new ATOM 0 HD12 LEU A 28 9.349 8.504 -4.117 1.00 43.30 H new ATOM 0 HD13 LEU A 28 8.353 9.957 -3.866 1.00 43.30 H new ATOM 0 HD21 LEU A 28 8.684 11.037 -6.731 1.00 44.14 H new ATOM 0 HD22 LEU A 28 8.848 12.042 -5.272 1.00 44.14 H new ATOM 0 HD23 LEU A 28 10.172 11.976 -6.459 1.00 44.14 H new ATOM 432 N LYS A 29 12.915 13.034 -4.747 1.00 42.13 N ATOM 433 CA LYS A 29 13.257 14.270 -5.442 1.00 31.22 C ATOM 434 C LYS A 29 14.637 14.170 -6.083 1.00 23.40 C ATOM 435 O LYS A 29 14.785 14.355 -7.291 1.00 11.24 O ATOM 436 CB LYS A 29 13.219 15.452 -4.471 1.00 15.12 C ATOM 437 CG LYS A 29 11.902 16.210 -4.487 1.00 22.32 C ATOM 438 CD LYS A 29 10.951 15.698 -3.418 1.00 3.13 C ATOM 439 CE LYS A 29 10.069 14.578 -3.947 1.00 14.03 C ATOM 440 NZ LYS A 29 8.653 15.014 -4.104 1.00 5.31 N ATOM 0 H LYS A 29 12.768 13.141 -3.743 1.00 42.13 H new ATOM 0 HA LYS A 29 12.521 14.430 -6.230 1.00 31.22 H new ATOM 0 HB2 LYS A 29 13.407 15.088 -3.461 1.00 15.12 H new ATOM 0 HB3 LYS A 29 14.028 16.140 -4.717 1.00 15.12 H new ATOM 0 HG2 LYS A 29 12.090 17.272 -4.329 1.00 22.32 H new ATOM 0 HG3 LYS A 29 11.436 16.111 -5.467 1.00 22.32 H new ATOM 0 HD2 LYS A 29 11.523 15.339 -2.562 1.00 3.13 H new ATOM 0 HD3 LYS A 29 10.326 16.517 -3.062 1.00 3.13 H new ATOM 0 HE2 LYS A 29 10.453 14.237 -4.909 1.00 14.03 H new ATOM 0 HE3 LYS A 29 10.114 13.728 -3.266 1.00 14.03 H new ATOM 0 HZ1 LYS A 29 8.226 14.522 -4.914 1.00 5.31 H new ATOM 0 HZ2 LYS A 29 8.121 14.785 -3.240 1.00 5.31 H new ATOM 0 HZ3 LYS A 29 8.622 16.041 -4.267 1.00 5.31 H new ATOM 454 N GLN A 30 15.644 13.874 -5.267 1.00 11.01 N ATOM 455 CA GLN A 30 17.012 13.749 -5.756 1.00 73.42 C ATOM 456 C GLN A 30 17.106 12.681 -6.841 1.00 21.31 C ATOM 457 O GLN A 30 18.029 12.689 -7.656 1.00 52.01 O ATOM 458 CB GLN A 30 17.959 13.407 -4.604 1.00 54.42 C ATOM 459 CG GLN A 30 18.082 11.916 -4.340 1.00 64.51 C ATOM 460 CD GLN A 30 19.247 11.287 -5.080 1.00 32.44 C ATOM 461 OE1 GLN A 30 20.208 11.966 -5.440 1.00 43.30 O ATOM 462 NE2 GLN A 30 19.167 9.981 -5.310 1.00 14.31 N ATOM 0 H GLN A 30 15.538 13.716 -4.265 1.00 11.01 H new ATOM 0 HA GLN A 30 17.306 14.706 -6.187 1.00 73.42 H new ATOM 0 HB2 GLN A 30 18.947 13.811 -4.825 1.00 54.42 H new ATOM 0 HB3 GLN A 30 17.608 13.900 -3.698 1.00 54.42 H new ATOM 0 HG2 GLN A 30 18.203 11.749 -3.270 1.00 64.51 H new ATOM 0 HG3 GLN A 30 17.158 11.421 -4.637 1.00 64.51 H new ATOM 0 HE21 GLN A 30 18.351 9.456 -4.994 1.00 14.31 H new ATOM 0 HE22 GLN A 30 19.921 9.503 -5.803 1.00 14.31 H new ATOM 471 N PHE A 31 16.146 11.762 -6.845 1.00 21.22 N ATOM 472 CA PHE A 31 16.122 10.686 -7.829 1.00 33.22 C ATOM 473 C PHE A 31 15.620 11.194 -9.178 1.00 23.45 C ATOM 474 O PHE A 31 16.292 11.043 -10.199 1.00 74.23 O ATOM 475 CB PHE A 31 15.234 9.540 -7.340 1.00 74.44 C ATOM 476 CG PHE A 31 14.977 8.493 -8.386 1.00 60.44 C ATOM 477 CD1 PHE A 31 15.857 7.436 -8.558 1.00 50.25 C ATOM 478 CD2 PHE A 31 13.856 8.564 -9.197 1.00 53.50 C ATOM 479 CE1 PHE A 31 15.623 6.472 -9.521 1.00 5.02 C ATOM 480 CE2 PHE A 31 13.617 7.603 -10.161 1.00 32.12 C ATOM 481 CZ PHE A 31 14.501 6.555 -10.322 1.00 65.30 C ATOM 0 H PHE A 31 15.375 11.741 -6.178 1.00 21.22 H new ATOM 0 HA PHE A 31 17.141 10.319 -7.955 1.00 33.22 H new ATOM 0 HB2 PHE A 31 15.703 9.071 -6.475 1.00 74.44 H new ATOM 0 HB3 PHE A 31 14.281 9.948 -7.003 1.00 74.44 H new ATOM 0 HD1 PHE A 31 16.735 7.365 -7.933 1.00 50.25 H new ATOM 0 HD2 PHE A 31 13.160 9.381 -9.074 1.00 53.50 H new ATOM 0 HE1 PHE A 31 16.317 5.654 -9.647 1.00 5.02 H new ATOM 0 HE2 PHE A 31 12.740 7.672 -10.787 1.00 32.12 H new ATOM 0 HZ PHE A 31 14.316 5.801 -11.073 1.00 65.30 H new ATOM 491 N LEU A 32 14.436 11.795 -9.173 1.00 40.21 N ATOM 492 CA LEU A 32 13.843 12.326 -10.396 1.00 33.52 C ATOM 493 C LEU A 32 14.638 13.520 -10.913 1.00 73.03 C ATOM 494 O LEU A 32 14.889 13.640 -12.113 1.00 11.24 O ATOM 495 CB LEU A 32 12.390 12.735 -10.145 1.00 43.03 C ATOM 496 CG LEU A 32 12.147 13.639 -8.937 1.00 12.54 C ATOM 497 CD1 LEU A 32 12.148 15.102 -9.355 1.00 73.52 C ATOM 498 CD2 LEU A 32 10.834 13.278 -8.256 1.00 45.51 C ATOM 0 H LEU A 32 13.867 11.927 -8.337 1.00 40.21 H new ATOM 0 HA LEU A 32 13.868 11.542 -11.153 1.00 33.52 H new ATOM 0 HB2 LEU A 32 12.018 13.243 -11.035 1.00 43.03 H new ATOM 0 HB3 LEU A 32 11.795 11.830 -10.022 1.00 43.03 H new ATOM 0 HG LEU A 32 12.957 13.486 -8.224 1.00 12.54 H new ATOM 0 HD11 LEU A 32 11.973 15.730 -8.481 1.00 73.52 H new ATOM 0 HD12 LEU A 32 13.112 15.354 -9.796 1.00 73.52 H new ATOM 0 HD13 LEU A 32 11.359 15.272 -10.087 1.00 73.52 H new ATOM 0 HD21 LEU A 32 10.677 13.932 -7.398 1.00 45.51 H new ATOM 0 HD22 LEU A 32 10.012 13.402 -8.961 1.00 45.51 H new ATOM 0 HD23 LEU A 32 10.871 12.242 -7.920 1.00 45.51 H new ATOM 510 N LYS A 33 15.033 14.401 -10.001 1.00 24.14 N ATOM 511 CA LYS A 33 15.803 15.585 -10.363 1.00 25.13 C ATOM 512 C LYS A 33 17.061 15.201 -11.136 1.00 74.35 C ATOM 513 O LYS A 33 17.570 15.981 -11.942 1.00 31.12 O ATOM 514 CB LYS A 33 16.185 16.374 -9.108 1.00 62.40 C ATOM 515 CG LYS A 33 17.658 16.741 -9.045 1.00 33.21 C ATOM 516 CD LYS A 33 18.497 15.591 -8.513 1.00 72.14 C ATOM 517 CE LYS A 33 19.859 15.536 -9.189 1.00 14.03 C ATOM 518 NZ LYS A 33 20.942 16.031 -8.294 1.00 55.04 N ATOM 0 H LYS A 33 14.832 14.317 -9.004 1.00 24.14 H new ATOM 0 HA LYS A 33 15.180 16.210 -11.003 1.00 25.13 H new ATOM 0 HB2 LYS A 33 15.590 17.286 -9.067 1.00 62.40 H new ATOM 0 HB3 LYS A 33 15.928 15.786 -8.227 1.00 62.40 H new ATOM 0 HG2 LYS A 33 18.008 17.018 -10.040 1.00 33.21 H new ATOM 0 HG3 LYS A 33 17.789 17.614 -8.406 1.00 33.21 H new ATOM 0 HD2 LYS A 33 18.628 15.702 -7.437 1.00 72.14 H new ATOM 0 HD3 LYS A 33 17.971 14.650 -8.675 1.00 72.14 H new ATOM 0 HE2 LYS A 33 20.075 14.510 -9.488 1.00 14.03 H new ATOM 0 HE3 LYS A 33 19.837 16.135 -10.099 1.00 14.03 H new ATOM 0 HZ1 LYS A 33 21.781 16.267 -8.862 1.00 55.04 H new ATOM 0 HZ2 LYS A 33 20.615 16.880 -7.790 1.00 55.04 H new ATOM 0 HZ3 LYS A 33 21.187 15.292 -7.604 1.00 55.04 H new ATOM 532 N THR A 34 17.557 13.992 -10.889 1.00 13.45 N ATOM 533 CA THR A 34 18.754 13.505 -11.562 1.00 34.41 C ATOM 534 C THR A 34 18.430 13.006 -12.966 1.00 2.23 C ATOM 535 O THR A 34 19.300 12.964 -13.837 1.00 4.24 O ATOM 536 CB THR A 34 19.421 12.367 -10.767 1.00 25.03 C ATOM 537 OG1 THR A 34 20.842 12.549 -10.749 1.00 54.45 O ATOM 538 CG2 THR A 34 19.086 11.013 -11.374 1.00 3.10 C ATOM 0 H THR A 34 17.147 13.332 -10.227 1.00 13.45 H new ATOM 0 HA THR A 34 19.444 14.346 -11.628 1.00 34.41 H new ATOM 0 HB THR A 34 19.038 12.394 -9.747 1.00 25.03 H new ATOM 0 HG1 THR A 34 21.258 11.822 -10.240 1.00 54.45 H new ATOM 0 HG21 THR A 34 19.568 10.225 -10.795 1.00 3.10 H new ATOM 0 HG22 THR A 34 18.006 10.865 -11.359 1.00 3.10 H new ATOM 0 HG23 THR A 34 19.443 10.977 -12.403 1.00 3.10 H new ATOM 546 N LEU A 35 17.174 12.630 -13.180 1.00 64.10 N ATOM 547 CA LEU A 35 16.735 12.135 -14.480 1.00 64.51 C ATOM 548 C LEU A 35 16.555 13.283 -15.468 1.00 21.22 C ATOM 549 O LEU A 35 17.205 13.326 -16.513 1.00 70.40 O ATOM 550 CB LEU A 35 15.424 11.360 -14.336 1.00 63.34 C ATOM 551 CG LEU A 35 15.320 10.435 -13.123 1.00 5.32 C ATOM 552 CD1 LEU A 35 13.952 9.775 -13.070 1.00 55.03 C ATOM 553 CD2 LEU A 35 16.421 9.384 -13.157 1.00 55.42 C ATOM 0 H LEU A 35 16.442 12.658 -12.470 1.00 64.10 H new ATOM 0 HA LEU A 35 17.505 11.466 -14.866 1.00 64.51 H new ATOM 0 HB2 LEU A 35 14.604 12.077 -14.292 1.00 63.34 H new ATOM 0 HB3 LEU A 35 15.277 10.763 -15.236 1.00 63.34 H new ATOM 0 HG LEU A 35 15.446 11.035 -12.222 1.00 5.32 H new ATOM 0 HD11 LEU A 35 13.897 9.121 -12.200 1.00 55.03 H new ATOM 0 HD12 LEU A 35 13.181 10.542 -12.996 1.00 55.03 H new ATOM 0 HD13 LEU A 35 13.796 9.189 -13.975 1.00 55.03 H new ATOM 0 HD21 LEU A 35 16.331 8.735 -12.286 1.00 55.42 H new ATOM 0 HD22 LEU A 35 16.327 8.788 -14.065 1.00 55.42 H new ATOM 0 HD23 LEU A 35 17.394 9.876 -13.144 1.00 55.42 H new ATOM 565 N THR A 36 15.669 14.215 -15.129 1.00 24.40 N ATOM 566 CA THR A 36 15.404 15.364 -15.985 1.00 2.13 C ATOM 567 C THR A 36 15.350 16.653 -15.173 1.00 14.13 C ATOM 568 O THR A 36 15.643 17.733 -15.684 1.00 15.11 O ATOM 569 CB THR A 36 14.080 15.199 -16.753 1.00 74.54 C ATOM 570 OG1 THR A 36 13.765 16.407 -17.454 1.00 44.20 O ATOM 571 CG2 THR A 36 12.944 14.846 -15.805 1.00 12.43 C ATOM 0 H THR A 36 15.123 14.196 -14.268 1.00 24.40 H new ATOM 0 HA THR A 36 16.225 15.422 -16.700 1.00 2.13 H new ATOM 0 HB THR A 36 14.201 14.386 -17.469 1.00 74.54 H new ATOM 0 HG1 THR A 36 12.792 16.506 -17.515 1.00 44.20 H new ATOM 0 HG21 THR A 36 12.019 14.735 -16.371 1.00 12.43 H new ATOM 0 HG22 THR A 36 13.173 13.910 -15.296 1.00 12.43 H new ATOM 0 HG23 THR A 36 12.825 15.640 -15.068 1.00 12.43 H new ATOM 579 N GLY A 37 14.973 16.532 -13.903 1.00 40.12 N ATOM 580 CA GLY A 37 14.888 17.696 -13.041 1.00 13.13 C ATOM 581 C GLY A 37 16.236 18.350 -12.815 1.00 2.51 C ATOM 582 O GLY A 37 17.242 17.929 -13.386 1.00 42.50 O ATOM 0 H GLY A 37 14.725 15.649 -13.457 1.00 40.12 H new ATOM 0 HA2 GLY A 37 14.205 18.422 -13.482 1.00 13.13 H new ATOM 0 HA3 GLY A 37 14.464 17.403 -12.080 1.00 13.13 H new ATOM 586 N VAL A 38 16.258 19.385 -11.981 1.00 11.14 N ATOM 587 CA VAL A 38 17.493 20.100 -11.681 1.00 70.20 C ATOM 588 C VAL A 38 17.914 19.887 -10.231 1.00 75.52 C ATOM 589 O VAL A 38 17.079 19.879 -9.326 1.00 34.43 O ATOM 590 CB VAL A 38 17.345 21.610 -11.944 1.00 43.23 C ATOM 591 CG1 VAL A 38 15.981 22.101 -11.486 1.00 55.34 C ATOM 592 CG2 VAL A 38 18.459 22.382 -11.253 1.00 14.43 C ATOM 0 H VAL A 38 15.434 19.747 -11.501 1.00 11.14 H new ATOM 0 HA VAL A 38 18.260 19.697 -12.342 1.00 70.20 H new ATOM 0 HB VAL A 38 17.425 21.784 -13.017 1.00 43.23 H new ATOM 0 HG11 VAL A 38 15.895 23.170 -11.680 1.00 55.34 H new ATOM 0 HG12 VAL A 38 15.201 21.569 -12.031 1.00 55.34 H new ATOM 0 HG13 VAL A 38 15.867 21.916 -10.418 1.00 55.34 H new ATOM 0 HG21 VAL A 38 18.339 23.447 -11.449 1.00 14.43 H new ATOM 0 HG22 VAL A 38 18.413 22.203 -10.179 1.00 14.43 H new ATOM 0 HG23 VAL A 38 19.424 22.049 -11.635 1.00 14.43 H new ATOM 602 N LEU A 39 19.213 19.714 -10.017 1.00 43.25 N ATOM 603 CA LEU A 39 19.746 19.501 -8.676 1.00 44.24 C ATOM 604 C LEU A 39 19.317 20.622 -7.735 1.00 44.44 C ATOM 605 O LEU A 39 19.111 21.765 -8.145 1.00 3.01 O ATOM 606 CB LEU A 39 21.273 19.414 -8.721 1.00 71.51 C ATOM 607 CG LEU A 39 21.966 20.294 -9.762 1.00 74.52 C ATOM 608 CD1 LEU A 39 21.887 19.654 -11.139 1.00 71.55 C ATOM 609 CD2 LEU A 39 21.347 21.684 -9.782 1.00 20.31 C ATOM 0 H LEU A 39 19.917 19.717 -10.755 1.00 43.25 H new ATOM 0 HA LEU A 39 19.345 18.561 -8.297 1.00 44.24 H new ATOM 0 HB2 LEU A 39 21.661 19.677 -7.737 1.00 71.51 H new ATOM 0 HB3 LEU A 39 21.552 18.377 -8.907 1.00 71.51 H new ATOM 0 HG LEU A 39 23.017 20.390 -9.488 1.00 74.52 H new ATOM 0 HD11 LEU A 39 22.385 20.294 -11.867 1.00 71.55 H new ATOM 0 HD12 LEU A 39 22.377 18.681 -11.116 1.00 71.55 H new ATOM 0 HD13 LEU A 39 20.842 19.528 -11.422 1.00 71.55 H new ATOM 0 HD21 LEU A 39 21.852 22.297 -10.528 1.00 20.31 H new ATOM 0 HD22 LEU A 39 20.289 21.607 -10.032 1.00 20.31 H new ATOM 0 HD23 LEU A 39 21.456 22.145 -8.800 1.00 20.31 H new ATOM 621 N PRO A 40 19.181 20.291 -6.443 1.00 22.11 N ATOM 622 CA PRO A 40 18.778 21.257 -5.416 1.00 64.51 C ATOM 623 C PRO A 40 19.862 22.292 -5.138 1.00 2.45 C ATOM 624 O PRO A 40 19.580 23.379 -4.634 1.00 34.23 O ATOM 625 CB PRO A 40 18.543 20.384 -4.181 1.00 71.40 C ATOM 626 CG PRO A 40 19.395 19.181 -4.399 1.00 4.43 C ATOM 627 CD PRO A 40 19.410 18.948 -5.884 1.00 65.11 C ATOM 0 HA PRO A 40 17.905 21.834 -5.719 1.00 64.51 H new ATOM 0 HB2 PRO A 40 18.824 20.907 -3.267 1.00 71.40 H new ATOM 0 HB3 PRO A 40 17.492 20.112 -4.083 1.00 71.40 H new ATOM 0 HG2 PRO A 40 20.404 19.343 -4.019 1.00 4.43 H new ATOM 0 HG3 PRO A 40 18.991 18.316 -3.872 1.00 4.43 H new ATOM 0 HD2 PRO A 40 20.361 18.532 -6.216 1.00 65.11 H new ATOM 0 HD3 PRO A 40 18.632 18.248 -6.189 1.00 65.11 H new ATOM 635 N GLU A 41 21.103 21.948 -5.469 1.00 53.22 N ATOM 636 CA GLU A 41 22.228 22.850 -5.254 1.00 23.34 C ATOM 637 C GLU A 41 21.976 24.202 -5.913 1.00 42.45 C ATOM 638 O GLU A 41 22.319 25.248 -5.361 1.00 33.11 O ATOM 639 CB GLU A 41 23.516 22.234 -5.804 1.00 24.32 C ATOM 640 CG GLU A 41 24.706 23.179 -5.770 1.00 32.31 C ATOM 641 CD GLU A 41 26.025 22.464 -5.991 1.00 51.32 C ATOM 642 OE1 GLU A 41 26.005 21.323 -6.496 1.00 74.44 O ATOM 643 OE2 GLU A 41 27.078 23.048 -5.659 1.00 70.01 O ATOM 0 H GLU A 41 21.354 21.052 -5.887 1.00 53.22 H new ATOM 0 HA GLU A 41 22.337 23.004 -4.180 1.00 23.34 H new ATOM 0 HB2 GLU A 41 23.756 21.340 -5.228 1.00 24.32 H new ATOM 0 HB3 GLU A 41 23.346 21.915 -6.832 1.00 24.32 H new ATOM 0 HG2 GLU A 41 24.579 23.945 -6.535 1.00 32.31 H new ATOM 0 HG3 GLU A 41 24.731 23.691 -4.808 1.00 32.31 H new ATOM 650 N ARG A 42 21.376 24.173 -7.099 1.00 12.23 N ATOM 651 CA ARG A 42 21.079 25.396 -7.835 1.00 62.13 C ATOM 652 C ARG A 42 19.597 25.744 -7.737 1.00 73.42 C ATOM 653 O ARG A 42 19.232 26.909 -7.582 1.00 63.22 O ATOM 654 CB ARG A 42 21.482 25.243 -9.303 1.00 61.21 C ATOM 655 CG ARG A 42 22.929 25.617 -9.580 1.00 21.12 C ATOM 656 CD ARG A 42 23.600 24.607 -10.498 1.00 12.02 C ATOM 657 NE ARG A 42 24.729 25.188 -11.218 1.00 44.14 N ATOM 658 CZ ARG A 42 25.914 25.421 -10.663 1.00 55.45 C ATOM 659 NH1 ARG A 42 26.122 25.124 -9.388 1.00 51.13 N ATOM 660 NH2 ARG A 42 26.892 25.953 -11.385 1.00 25.33 N ATOM 0 H ARG A 42 21.086 23.316 -7.570 1.00 12.23 H new ATOM 0 HA ARG A 42 21.655 26.207 -7.389 1.00 62.13 H new ATOM 0 HB2 ARG A 42 21.317 24.210 -9.610 1.00 61.21 H new ATOM 0 HB3 ARG A 42 20.831 25.866 -9.916 1.00 61.21 H new ATOM 0 HG2 ARG A 42 22.969 26.607 -10.035 1.00 21.12 H new ATOM 0 HG3 ARG A 42 23.477 25.676 -8.640 1.00 21.12 H new ATOM 0 HD2 ARG A 42 23.944 23.756 -9.911 1.00 12.02 H new ATOM 0 HD3 ARG A 42 22.871 24.227 -11.213 1.00 12.02 H new ATOM 0 HE ARG A 42 24.602 25.428 -12.201 1.00 44.14 H new ATOM 0 HH11 ARG A 42 25.372 24.716 -8.831 1.00 51.13 H new ATOM 0 HH12 ARG A 42 27.032 25.304 -8.964 1.00 51.13 H new ATOM 0 HH21 ARG A 42 26.734 26.183 -12.366 1.00 25.33 H new ATOM 0 HH22 ARG A 42 27.801 26.132 -10.959 1.00 25.33 H new ATOM 674 N GLN A 43 18.748 24.725 -7.829 1.00 51.04 N ATOM 675 CA GLN A 43 17.305 24.924 -7.752 1.00 65.13 C ATOM 676 C GLN A 43 16.793 24.651 -6.342 1.00 50.00 C ATOM 677 O GLN A 43 17.431 23.942 -5.564 1.00 64.41 O ATOM 678 CB GLN A 43 16.590 24.015 -8.753 1.00 32.53 C ATOM 679 CG GLN A 43 16.262 22.638 -8.197 1.00 13.10 C ATOM 680 CD GLN A 43 14.938 22.607 -7.459 1.00 10.12 C ATOM 681 OE1 GLN A 43 14.133 23.533 -7.565 1.00 21.13 O ATOM 682 NE2 GLN A 43 14.705 21.539 -6.705 1.00 60.12 N ATOM 0 H GLN A 43 19.034 23.754 -7.957 1.00 51.04 H new ATOM 0 HA GLN A 43 17.092 25.964 -8.001 1.00 65.13 H new ATOM 0 HB2 GLN A 43 15.667 24.497 -9.074 1.00 32.53 H new ATOM 0 HB3 GLN A 43 17.215 23.901 -9.639 1.00 32.53 H new ATOM 0 HG2 GLN A 43 16.235 21.917 -9.014 1.00 13.10 H new ATOM 0 HG3 GLN A 43 17.058 22.324 -7.521 1.00 13.10 H new ATOM 0 HE21 GLN A 43 15.400 20.795 -6.646 1.00 60.12 H new ATOM 0 HE22 GLN A 43 13.831 21.463 -6.185 1.00 60.12 H new ATOM 691 N LYS A 44 15.636 25.219 -6.018 1.00 4.10 N ATOM 692 CA LYS A 44 15.036 25.037 -4.702 1.00 3.24 C ATOM 693 C LYS A 44 13.583 24.591 -4.823 1.00 72.13 C ATOM 694 O LYS A 44 12.855 25.045 -5.707 1.00 10.50 O ATOM 695 CB LYS A 44 15.116 26.337 -3.898 1.00 2.01 C ATOM 696 CG LYS A 44 14.012 27.326 -4.230 1.00 3.14 C ATOM 697 CD LYS A 44 14.109 27.809 -5.667 1.00 64.42 C ATOM 698 CE LYS A 44 13.496 29.191 -5.834 1.00 22.41 C ATOM 699 NZ LYS A 44 12.069 29.219 -5.409 1.00 3.21 N ATOM 0 H LYS A 44 15.095 25.810 -6.650 1.00 4.10 H new ATOM 0 HA LYS A 44 15.594 24.259 -4.181 1.00 3.24 H new ATOM 0 HB2 LYS A 44 15.073 26.100 -2.835 1.00 2.01 H new ATOM 0 HB3 LYS A 44 16.082 26.808 -4.080 1.00 2.01 H new ATOM 0 HG2 LYS A 44 13.041 26.857 -4.068 1.00 3.14 H new ATOM 0 HG3 LYS A 44 14.071 28.179 -3.554 1.00 3.14 H new ATOM 0 HD2 LYS A 44 15.155 27.834 -5.973 1.00 64.42 H new ATOM 0 HD3 LYS A 44 13.601 27.103 -6.324 1.00 64.42 H new ATOM 0 HE2 LYS A 44 14.064 29.914 -5.248 1.00 22.41 H new ATOM 0 HE3 LYS A 44 13.570 29.498 -6.877 1.00 22.41 H new ATOM 0 HZ1 LYS A 44 11.645 30.130 -5.678 1.00 3.21 H new ATOM 0 HZ2 LYS A 44 11.553 28.445 -5.875 1.00 3.21 H new ATOM 0 HZ3 LYS A 44 12.012 29.102 -4.377 1.00 3.21 H new ATOM 713 N LEU A 45 13.166 23.700 -3.930 1.00 54.24 N ATOM 714 CA LEU A 45 11.798 23.194 -3.937 1.00 35.42 C ATOM 715 C LEU A 45 10.808 24.294 -3.568 1.00 74.12 C ATOM 716 O LEU A 45 11.036 25.061 -2.632 1.00 34.24 O ATOM 717 CB LEU A 45 11.662 22.022 -2.962 1.00 50.41 C ATOM 718 CG LEU A 45 12.268 20.695 -3.419 1.00 51.13 C ATOM 719 CD1 LEU A 45 11.699 20.285 -4.769 1.00 1.41 C ATOM 720 CD2 LEU A 45 13.785 20.796 -3.486 1.00 52.12 C ATOM 0 H LEU A 45 13.755 23.313 -3.193 1.00 54.24 H new ATOM 0 HA LEU A 45 11.570 22.849 -4.945 1.00 35.42 H new ATOM 0 HB2 LEU A 45 12.128 22.305 -2.018 1.00 50.41 H new ATOM 0 HB3 LEU A 45 10.602 21.864 -2.760 1.00 50.41 H new ATOM 0 HG LEU A 45 12.007 19.928 -2.690 1.00 51.13 H new ATOM 0 HD11 LEU A 45 12.142 19.338 -5.078 1.00 1.41 H new ATOM 0 HD12 LEU A 45 10.618 20.171 -4.689 1.00 1.41 H new ATOM 0 HD13 LEU A 45 11.929 21.052 -5.509 1.00 1.41 H new ATOM 0 HD21 LEU A 45 14.199 19.842 -3.813 1.00 52.12 H new ATOM 0 HD22 LEU A 45 14.067 21.576 -4.194 1.00 52.12 H new ATOM 0 HD23 LEU A 45 14.177 21.043 -2.499 1.00 52.12 H new ATOM 732 N LEU A 46 9.707 24.365 -4.309 1.00 22.31 N ATOM 733 CA LEU A 46 8.680 25.370 -4.059 1.00 10.01 C ATOM 734 C LEU A 46 7.823 24.986 -2.857 1.00 72.42 C ATOM 735 O LEU A 46 7.963 25.554 -1.775 1.00 35.40 O ATOM 736 CB LEU A 46 7.796 25.543 -5.296 1.00 4.35 C ATOM 737 CG LEU A 46 8.397 26.360 -6.440 1.00 53.32 C ATOM 738 CD1 LEU A 46 8.822 27.735 -5.949 1.00 0.31 C ATOM 739 CD2 LEU A 46 9.576 25.625 -7.059 1.00 63.31 C ATOM 0 H LEU A 46 9.503 23.738 -5.088 1.00 22.31 H new ATOM 0 HA LEU A 46 9.177 26.315 -3.840 1.00 10.01 H new ATOM 0 HB2 LEU A 46 7.541 24.554 -5.677 1.00 4.35 H new ATOM 0 HB3 LEU A 46 6.864 26.016 -4.989 1.00 4.35 H new ATOM 0 HG LEU A 46 7.633 26.491 -7.207 1.00 53.32 H new ATOM 0 HD11 LEU A 46 9.247 28.302 -6.777 1.00 0.31 H new ATOM 0 HD12 LEU A 46 7.955 28.265 -5.554 1.00 0.31 H new ATOM 0 HD13 LEU A 46 9.569 27.626 -5.163 1.00 0.31 H new ATOM 0 HD21 LEU A 46 9.991 26.222 -7.871 1.00 63.31 H new ATOM 0 HD22 LEU A 46 10.342 25.462 -6.301 1.00 63.31 H new ATOM 0 HD23 LEU A 46 9.241 24.664 -7.449 1.00 63.31 H new ATOM 751 N GLY A 47 6.936 24.015 -3.055 1.00 70.25 N ATOM 752 CA GLY A 47 6.071 23.569 -1.979 1.00 13.30 C ATOM 753 C GLY A 47 6.625 22.360 -1.252 1.00 41.31 C ATOM 754 O GLY A 47 5.986 21.308 -1.204 1.00 10.42 O ATOM 0 H GLY A 47 6.801 23.529 -3.942 1.00 70.25 H new ATOM 0 HA2 GLY A 47 5.931 24.384 -1.268 1.00 13.30 H new ATOM 0 HA3 GLY A 47 5.088 23.327 -2.384 1.00 13.30 H new ATOM 758 N LEU A 48 7.818 22.508 -0.686 1.00 71.23 N ATOM 759 CA LEU A 48 8.460 21.418 0.041 1.00 50.12 C ATOM 760 C LEU A 48 7.559 20.905 1.160 1.00 62.03 C ATOM 761 O LEU A 48 7.694 19.766 1.607 1.00 73.21 O ATOM 762 CB LEU A 48 9.797 21.883 0.620 1.00 41.41 C ATOM 763 CG LEU A 48 9.746 23.119 1.519 1.00 53.32 C ATOM 764 CD1 LEU A 48 9.532 22.716 2.969 1.00 21.14 C ATOM 765 CD2 LEU A 48 11.020 23.938 1.373 1.00 0.11 C ATOM 0 H LEU A 48 8.360 23.372 -0.716 1.00 71.23 H new ATOM 0 HA LEU A 48 8.639 20.602 -0.660 1.00 50.12 H new ATOM 0 HB2 LEU A 48 10.228 21.061 1.191 1.00 41.41 H new ATOM 0 HB3 LEU A 48 10.477 22.088 -0.207 1.00 41.41 H new ATOM 0 HG LEU A 48 8.904 23.737 1.207 1.00 53.32 H new ATOM 0 HD11 LEU A 48 9.498 23.609 3.594 1.00 21.14 H new ATOM 0 HD12 LEU A 48 8.591 22.173 3.061 1.00 21.14 H new ATOM 0 HD13 LEU A 48 10.353 22.077 3.294 1.00 21.14 H new ATOM 0 HD21 LEU A 48 10.966 24.814 2.020 1.00 0.11 H new ATOM 0 HD22 LEU A 48 11.878 23.329 1.657 1.00 0.11 H new ATOM 0 HD23 LEU A 48 11.130 24.259 0.337 1.00 0.11 H new ATOM 777 N LYS A 49 6.639 21.752 1.607 1.00 53.52 N ATOM 778 CA LYS A 49 5.712 21.385 2.671 1.00 2.00 C ATOM 779 C LYS A 49 4.315 21.133 2.113 1.00 22.51 C ATOM 780 O LYS A 49 3.867 21.824 1.199 1.00 72.05 O ATOM 781 CB LYS A 49 5.658 22.487 3.731 1.00 11.32 C ATOM 782 CG LYS A 49 6.124 23.842 3.225 1.00 33.51 C ATOM 783 CD LYS A 49 5.902 24.930 4.261 1.00 4.45 C ATOM 784 CE LYS A 49 5.756 26.298 3.611 1.00 72.50 C ATOM 785 NZ LYS A 49 5.538 27.371 4.620 1.00 50.24 N ATOM 0 H LYS A 49 6.515 22.699 1.249 1.00 53.52 H new ATOM 0 HA LYS A 49 6.072 20.464 3.131 1.00 2.00 H new ATOM 0 HB2 LYS A 49 4.635 22.577 4.097 1.00 11.32 H new ATOM 0 HB3 LYS A 49 6.276 22.194 4.580 1.00 11.32 H new ATOM 0 HG2 LYS A 49 7.183 23.792 2.970 1.00 33.51 H new ATOM 0 HG3 LYS A 49 5.587 24.094 2.310 1.00 33.51 H new ATOM 0 HD2 LYS A 49 5.007 24.704 4.841 1.00 4.45 H new ATOM 0 HD3 LYS A 49 6.739 24.945 4.959 1.00 4.45 H new ATOM 0 HE2 LYS A 49 6.651 26.522 3.031 1.00 72.50 H new ATOM 0 HE3 LYS A 49 4.919 26.281 2.913 1.00 72.50 H new ATOM 0 HZ1 LYS A 49 5.443 28.287 4.137 1.00 50.24 H new ATOM 0 HZ2 LYS A 49 4.670 27.171 5.157 1.00 50.24 H new ATOM 0 HZ3 LYS A 49 6.348 27.405 5.271 1.00 50.24 H new ATOM 799 N VAL A 50 3.631 20.138 2.670 1.00 10.55 N ATOM 800 CA VAL A 50 2.284 19.797 2.230 1.00 33.42 C ATOM 801 C VAL A 50 1.417 19.357 3.405 1.00 72.35 C ATOM 802 O VAL A 50 1.895 18.709 4.336 1.00 5.30 O ATOM 803 CB VAL A 50 2.306 18.676 1.174 1.00 32.53 C ATOM 804 CG1 VAL A 50 0.922 18.480 0.574 1.00 41.25 C ATOM 805 CG2 VAL A 50 3.328 18.985 0.091 1.00 73.13 C ATOM 0 H VAL A 50 3.988 19.554 3.427 1.00 10.55 H new ATOM 0 HA VAL A 50 1.859 20.697 1.785 1.00 33.42 H new ATOM 0 HB VAL A 50 2.598 17.746 1.662 1.00 32.53 H new ATOM 0 HG11 VAL A 50 0.957 17.684 -0.170 1.00 41.25 H new ATOM 0 HG12 VAL A 50 0.219 18.209 1.362 1.00 41.25 H new ATOM 0 HG13 VAL A 50 0.597 19.406 0.100 1.00 41.25 H new ATOM 0 HG21 VAL A 50 3.330 18.183 -0.647 1.00 73.13 H new ATOM 0 HG22 VAL A 50 3.069 19.925 -0.396 1.00 73.13 H new ATOM 0 HG23 VAL A 50 4.318 19.069 0.539 1.00 73.13 H new ATOM 815 N LYS A 51 0.137 19.712 3.354 1.00 25.11 N ATOM 816 CA LYS A 51 -0.799 19.353 4.412 1.00 31.14 C ATOM 817 C LYS A 51 -0.286 19.815 5.773 1.00 53.15 C ATOM 818 O LYS A 51 -0.527 19.168 6.790 1.00 34.44 O ATOM 819 CB LYS A 51 -1.027 17.840 4.429 1.00 64.34 C ATOM 820 CG LYS A 51 -1.480 17.278 3.092 1.00 42.40 C ATOM 821 CD LYS A 51 -2.218 15.961 3.262 1.00 62.03 C ATOM 822 CE LYS A 51 -3.394 15.854 2.304 1.00 75.21 C ATOM 823 NZ LYS A 51 -4.402 14.863 2.772 1.00 35.14 N ATOM 0 H LYS A 51 -0.275 20.248 2.591 1.00 25.11 H new ATOM 0 HA LYS A 51 -1.745 19.855 4.210 1.00 31.14 H new ATOM 0 HB2 LYS A 51 -0.103 17.345 4.727 1.00 64.34 H new ATOM 0 HB3 LYS A 51 -1.775 17.602 5.186 1.00 64.34 H new ATOM 0 HG2 LYS A 51 -2.129 17.998 2.595 1.00 42.40 H new ATOM 0 HG3 LYS A 51 -0.614 17.130 2.446 1.00 42.40 H new ATOM 0 HD2 LYS A 51 -1.531 15.133 3.090 1.00 62.03 H new ATOM 0 HD3 LYS A 51 -2.574 15.872 4.288 1.00 62.03 H new ATOM 0 HE2 LYS A 51 -3.867 16.831 2.199 1.00 75.21 H new ATOM 0 HE3 LYS A 51 -3.033 15.566 1.317 1.00 75.21 H new ATOM 0 HZ1 LYS A 51 -5.188 14.819 2.092 1.00 35.14 H new ATOM 0 HZ2 LYS A 51 -3.958 13.926 2.848 1.00 35.14 H new ATOM 0 HZ3 LYS A 51 -4.766 15.151 3.703 1.00 35.14 H new ATOM 837 N GLY A 52 0.421 20.941 5.782 1.00 25.21 N ATOM 838 CA GLY A 52 0.956 21.471 7.023 1.00 35.30 C ATOM 839 C GLY A 52 2.289 20.852 7.391 1.00 23.24 C ATOM 840 O GLY A 52 3.004 21.365 8.253 1.00 72.50 O ATOM 0 H GLY A 52 0.633 21.496 4.953 1.00 25.21 H new ATOM 0 HA2 GLY A 52 1.073 22.551 6.933 1.00 35.30 H new ATOM 0 HA3 GLY A 52 0.242 21.294 7.828 1.00 35.30 H new ATOM 844 N LYS A 53 2.626 19.745 6.739 1.00 62.53 N ATOM 845 CA LYS A 53 3.883 19.053 7.002 1.00 52.24 C ATOM 846 C LYS A 53 5.035 19.716 6.253 1.00 21.33 C ATOM 847 O LYS A 53 4.863 20.276 5.171 1.00 43.14 O ATOM 848 CB LYS A 53 3.775 17.582 6.594 1.00 55.23 C ATOM 849 CG LYS A 53 2.871 16.764 7.500 1.00 2.55 C ATOM 850 CD LYS A 53 3.389 16.741 8.929 1.00 71.21 C ATOM 851 CE LYS A 53 3.457 15.322 9.474 1.00 55.42 C ATOM 852 NZ LYS A 53 4.338 15.229 10.671 1.00 53.44 N ATOM 0 H LYS A 53 2.046 19.307 6.024 1.00 62.53 H new ATOM 0 HA LYS A 53 4.085 19.113 8.071 1.00 52.24 H new ATOM 0 HB2 LYS A 53 3.400 17.524 5.572 1.00 55.23 H new ATOM 0 HB3 LYS A 53 4.771 17.140 6.594 1.00 55.23 H new ATOM 0 HG2 LYS A 53 1.864 17.181 7.483 1.00 2.55 H new ATOM 0 HG3 LYS A 53 2.800 15.744 7.121 1.00 2.55 H new ATOM 0 HD2 LYS A 53 4.380 17.194 8.965 1.00 71.21 H new ATOM 0 HD3 LYS A 53 2.739 17.345 9.563 1.00 71.21 H new ATOM 0 HE2 LYS A 53 2.454 14.985 9.734 1.00 55.42 H new ATOM 0 HE3 LYS A 53 3.827 14.652 8.698 1.00 55.42 H new ATOM 0 HZ1 LYS A 53 4.358 14.247 11.012 1.00 53.44 H new ATOM 0 HZ2 LYS A 53 5.302 15.527 10.417 1.00 53.44 H new ATOM 0 HZ3 LYS A 53 3.971 15.849 11.421 1.00 53.44 H new ATOM 866 N PRO A 54 6.239 19.650 6.841 1.00 10.32 N ATOM 867 CA PRO A 54 7.443 20.237 6.246 1.00 24.21 C ATOM 868 C PRO A 54 7.901 19.483 5.002 1.00 42.41 C ATOM 869 O PRO A 54 8.398 20.083 4.049 1.00 3.34 O ATOM 870 CB PRO A 54 8.486 20.113 7.360 1.00 31.11 C ATOM 871 CG PRO A 54 8.019 18.967 8.190 1.00 64.34 C ATOM 872 CD PRO A 54 6.517 18.998 8.132 1.00 42.12 C ATOM 0 HA PRO A 54 7.275 21.261 5.912 1.00 24.21 H new ATOM 0 HB2 PRO A 54 9.480 19.928 6.953 1.00 31.11 H new ATOM 0 HB3 PRO A 54 8.548 21.029 7.948 1.00 31.11 H new ATOM 0 HG2 PRO A 54 8.405 18.023 7.805 1.00 64.34 H new ATOM 0 HG3 PRO A 54 8.372 19.060 9.217 1.00 64.34 H new ATOM 0 HD2 PRO A 54 6.092 17.995 8.175 1.00 42.12 H new ATOM 0 HD3 PRO A 54 6.094 19.559 8.965 1.00 42.12 H new ATOM 880 N ALA A 55 7.730 18.166 5.017 1.00 33.43 N ATOM 881 CA ALA A 55 8.123 17.331 3.889 1.00 61.20 C ATOM 882 C ALA A 55 9.424 17.827 3.266 1.00 31.45 C ATOM 883 O ALA A 55 9.570 17.845 2.045 1.00 52.22 O ATOM 884 CB ALA A 55 7.016 17.297 2.846 1.00 12.20 C ATOM 0 H ALA A 55 7.321 17.654 5.799 1.00 33.43 H new ATOM 0 HA ALA A 55 8.290 16.319 4.259 1.00 61.20 H new ATOM 0 HB1 ALA A 55 7.324 16.670 2.009 1.00 12.20 H new ATOM 0 HB2 ALA A 55 6.109 16.889 3.291 1.00 12.20 H new ATOM 0 HB3 ALA A 55 6.821 18.308 2.489 1.00 12.20 H new ATOM 890 N GLU A 56 10.365 18.228 4.115 1.00 64.01 N ATOM 891 CA GLU A 56 11.653 18.726 3.646 1.00 24.51 C ATOM 892 C GLU A 56 12.458 17.612 2.982 1.00 72.31 C ATOM 893 O GLU A 56 12.558 17.549 1.757 1.00 12.54 O ATOM 894 CB GLU A 56 12.449 19.320 4.809 1.00 5.55 C ATOM 895 CG GLU A 56 13.847 19.774 4.422 1.00 52.32 C ATOM 896 CD GLU A 56 14.045 21.267 4.598 1.00 41.31 C ATOM 897 OE1 GLU A 56 13.499 22.039 3.782 1.00 1.25 O ATOM 898 OE2 GLU A 56 14.747 21.663 5.552 1.00 12.33 O ATOM 0 H GLU A 56 10.260 18.218 5.130 1.00 64.01 H new ATOM 0 HA GLU A 56 11.465 19.505 2.908 1.00 24.51 H new ATOM 0 HB2 GLU A 56 11.901 20.169 5.217 1.00 5.55 H new ATOM 0 HB3 GLU A 56 12.524 18.577 5.603 1.00 5.55 H new ATOM 0 HG2 GLU A 56 14.579 19.240 5.028 1.00 52.32 H new ATOM 0 HG3 GLU A 56 14.037 19.506 3.383 1.00 52.32 H new ATOM 905 N ASN A 57 13.030 16.734 3.800 1.00 1.51 N ATOM 906 CA ASN A 57 13.827 15.623 3.293 1.00 50.31 C ATOM 907 C ASN A 57 13.853 14.472 4.293 1.00 24.33 C ATOM 908 O ASN A 57 13.810 13.302 3.911 1.00 44.34 O ATOM 909 CB ASN A 57 15.254 16.087 2.994 1.00 61.31 C ATOM 910 CG ASN A 57 15.711 17.191 3.927 1.00 11.23 C ATOM 911 OD1 ASN A 57 15.507 17.119 5.139 1.00 14.12 O ATOM 912 ND2 ASN A 57 16.333 18.221 3.365 1.00 13.22 N ATOM 0 H ASN A 57 12.956 16.771 4.817 1.00 1.51 H new ATOM 0 HA ASN A 57 13.367 15.269 2.371 1.00 50.31 H new ATOM 0 HB2 ASN A 57 15.934 15.239 3.078 1.00 61.31 H new ATOM 0 HB3 ASN A 57 15.310 16.439 1.964 1.00 61.31 H new ATOM 0 HD21 ASN A 57 16.663 18.994 3.942 1.00 13.22 H new ATOM 0 HD22 ASN A 57 16.481 18.239 2.356 1.00 13.22 H new ATOM 919 N ASP A 58 13.924 14.811 5.576 1.00 73.13 N ATOM 920 CA ASP A 58 13.954 13.806 6.632 1.00 61.11 C ATOM 921 C ASP A 58 12.580 13.169 6.816 1.00 10.40 C ATOM 922 O ASP A 58 12.402 12.281 7.650 1.00 43.22 O ATOM 923 CB ASP A 58 14.420 14.432 7.947 1.00 25.54 C ATOM 924 CG ASP A 58 15.914 14.286 8.160 1.00 45.20 C ATOM 925 OD1 ASP A 58 16.376 13.144 8.365 1.00 51.25 O ATOM 926 OD2 ASP A 58 16.622 15.315 8.123 1.00 63.33 O ATOM 0 H ASP A 58 13.962 15.774 5.909 1.00 73.13 H new ATOM 0 HA ASP A 58 14.659 13.028 6.339 1.00 61.11 H new ATOM 0 HB2 ASP A 58 14.156 15.490 7.956 1.00 25.54 H new ATOM 0 HB3 ASP A 58 13.890 13.964 8.777 1.00 25.54 H new ATOM 931 N VAL A 59 11.610 13.630 6.033 1.00 40.44 N ATOM 932 CA VAL A 59 10.252 13.106 6.109 1.00 14.40 C ATOM 933 C VAL A 59 10.038 11.984 5.100 1.00 70.03 C ATOM 934 O VAL A 59 10.635 11.980 4.023 1.00 53.22 O ATOM 935 CB VAL A 59 9.209 14.212 5.859 1.00 13.01 C ATOM 936 CG1 VAL A 59 7.942 13.942 6.657 1.00 61.32 C ATOM 937 CG2 VAL A 59 9.786 15.576 6.206 1.00 52.35 C ATOM 0 H VAL A 59 11.740 14.366 5.338 1.00 40.44 H new ATOM 0 HA VAL A 59 10.121 12.713 7.117 1.00 14.40 H new ATOM 0 HB VAL A 59 8.950 14.210 4.800 1.00 13.01 H new ATOM 0 HG11 VAL A 59 7.217 14.734 6.468 1.00 61.32 H new ATOM 0 HG12 VAL A 59 7.520 12.983 6.356 1.00 61.32 H new ATOM 0 HG13 VAL A 59 8.180 13.915 7.720 1.00 61.32 H new ATOM 0 HG21 VAL A 59 9.036 16.346 6.023 1.00 52.35 H new ATOM 0 HG22 VAL A 59 10.074 15.592 7.257 1.00 52.35 H new ATOM 0 HG23 VAL A 59 10.662 15.769 5.586 1.00 52.35 H new ATOM 947 N LYS A 60 9.182 11.032 5.455 1.00 60.34 N ATOM 948 CA LYS A 60 8.887 9.903 4.580 1.00 14.10 C ATOM 949 C LYS A 60 7.706 10.217 3.667 1.00 51.03 C ATOM 950 O LYS A 60 6.782 10.935 4.053 1.00 24.53 O ATOM 951 CB LYS A 60 8.585 8.653 5.410 1.00 14.42 C ATOM 952 CG LYS A 60 9.807 8.071 6.098 1.00 33.54 C ATOM 953 CD LYS A 60 9.696 6.563 6.249 1.00 33.40 C ATOM 954 CE LYS A 60 10.112 6.109 7.640 1.00 51.21 C ATOM 955 NZ LYS A 60 10.833 4.807 7.606 1.00 21.31 N ATOM 0 H LYS A 60 8.680 11.020 6.343 1.00 60.34 H new ATOM 0 HA LYS A 60 9.764 9.717 3.960 1.00 14.10 H new ATOM 0 HB2 LYS A 60 7.837 8.899 6.163 1.00 14.42 H new ATOM 0 HB3 LYS A 60 8.147 7.894 4.762 1.00 14.42 H new ATOM 0 HG2 LYS A 60 10.700 8.315 5.523 1.00 33.54 H new ATOM 0 HG3 LYS A 60 9.925 8.528 7.080 1.00 33.54 H new ATOM 0 HD2 LYS A 60 8.669 6.252 6.056 1.00 33.40 H new ATOM 0 HD3 LYS A 60 10.323 6.075 5.503 1.00 33.40 H new ATOM 0 HE2 LYS A 60 10.752 6.867 8.093 1.00 51.21 H new ATOM 0 HE3 LYS A 60 9.228 6.018 8.272 1.00 51.21 H new ATOM 0 HZ1 LYS A 60 11.099 4.532 8.573 1.00 21.31 H new ATOM 0 HZ2 LYS A 60 10.214 4.078 7.197 1.00 21.31 H new ATOM 0 HZ3 LYS A 60 11.690 4.900 7.024 1.00 21.31 H new ATOM 969 N LEU A 61 7.741 9.675 2.455 1.00 61.35 N ATOM 970 CA LEU A 61 6.673 9.896 1.486 1.00 33.32 C ATOM 971 C LEU A 61 5.312 9.570 2.093 1.00 33.01 C ATOM 972 O LEU A 61 4.327 10.264 1.843 1.00 21.22 O ATOM 973 CB LEU A 61 6.905 9.043 0.238 1.00 75.42 C ATOM 974 CG LEU A 61 8.339 9.001 -0.290 1.00 22.45 C ATOM 975 CD1 LEU A 61 8.444 8.057 -1.477 1.00 71.42 C ATOM 976 CD2 LEU A 61 8.808 10.397 -0.673 1.00 34.23 C ATOM 0 H LEU A 61 8.498 9.079 2.119 1.00 61.35 H new ATOM 0 HA LEU A 61 6.683 10.949 1.205 1.00 33.32 H new ATOM 0 HB2 LEU A 61 6.590 8.023 0.456 1.00 75.42 H new ATOM 0 HB3 LEU A 61 6.257 9.414 -0.556 1.00 75.42 H new ATOM 0 HG LEU A 61 8.986 8.627 0.503 1.00 22.45 H new ATOM 0 HD11 LEU A 61 9.472 8.041 -1.839 1.00 71.42 H new ATOM 0 HD12 LEU A 61 8.151 7.053 -1.170 1.00 71.42 H new ATOM 0 HD13 LEU A 61 7.784 8.400 -2.274 1.00 71.42 H new ATOM 0 HD21 LEU A 61 9.831 10.347 -1.047 1.00 34.23 H new ATOM 0 HD22 LEU A 61 8.157 10.799 -1.449 1.00 34.23 H new ATOM 0 HD23 LEU A 61 8.773 11.046 0.202 1.00 34.23 H new ATOM 988 N GLY A 62 5.265 8.510 2.894 1.00 30.31 N ATOM 989 CA GLY A 62 4.021 8.112 3.526 1.00 33.21 C ATOM 990 C GLY A 62 3.651 9.006 4.693 1.00 24.22 C ATOM 991 O GLY A 62 2.505 9.012 5.140 1.00 12.41 O ATOM 0 H GLY A 62 6.067 7.920 3.116 1.00 30.31 H new ATOM 0 HA2 GLY A 62 3.219 8.133 2.788 1.00 33.21 H new ATOM 0 HA3 GLY A 62 4.107 7.083 3.874 1.00 33.21 H new ATOM 995 N ALA A 63 4.626 9.761 5.189 1.00 13.33 N ATOM 996 CA ALA A 63 4.397 10.663 6.311 1.00 1.23 C ATOM 997 C ALA A 63 3.829 11.997 5.837 1.00 64.31 C ATOM 998 O ALA A 63 3.244 12.747 6.619 1.00 53.14 O ATOM 999 CB ALA A 63 5.689 10.882 7.084 1.00 3.40 C ATOM 0 H ALA A 63 5.581 9.766 4.832 1.00 13.33 H new ATOM 0 HA ALA A 63 3.664 10.201 6.973 1.00 1.23 H new ATOM 0 HB1 ALA A 63 5.503 11.558 7.919 1.00 3.40 H new ATOM 0 HB2 ALA A 63 6.052 9.927 7.464 1.00 3.40 H new ATOM 0 HB3 ALA A 63 6.438 11.319 6.424 1.00 3.40 H new ATOM 1005 N LEU A 64 4.007 12.286 4.553 1.00 51.53 N ATOM 1006 CA LEU A 64 3.513 13.531 3.974 1.00 74.12 C ATOM 1007 C LEU A 64 2.051 13.396 3.559 1.00 60.31 C ATOM 1008 O LEU A 64 1.345 14.392 3.397 1.00 65.43 O ATOM 1009 CB LEU A 64 4.363 13.928 2.766 1.00 71.42 C ATOM 1010 CG LEU A 64 5.771 13.333 2.711 1.00 34.15 C ATOM 1011 CD1 LEU A 64 6.466 13.725 1.417 1.00 3.33 C ATOM 1012 CD2 LEU A 64 6.586 13.782 3.915 1.00 2.21 C ATOM 0 H LEU A 64 4.489 11.676 3.893 1.00 51.53 H new ATOM 0 HA LEU A 64 3.586 14.310 4.733 1.00 74.12 H new ATOM 0 HB2 LEU A 64 3.831 13.635 1.861 1.00 71.42 H new ATOM 0 HB3 LEU A 64 4.448 15.015 2.748 1.00 71.42 H new ATOM 0 HG LEU A 64 5.688 12.247 2.739 1.00 34.15 H new ATOM 0 HD11 LEU A 64 7.466 13.293 1.396 1.00 3.33 H new ATOM 0 HD12 LEU A 64 5.892 13.353 0.568 1.00 3.33 H new ATOM 0 HD13 LEU A 64 6.539 14.811 1.358 1.00 3.33 H new ATOM 0 HD21 LEU A 64 7.585 13.349 3.860 1.00 2.21 H new ATOM 0 HD22 LEU A 64 6.661 14.869 3.919 1.00 2.21 H new ATOM 0 HD23 LEU A 64 6.097 13.449 4.830 1.00 2.21 H new ATOM 1024 N LYS A 65 1.601 12.157 3.391 1.00 64.34 N ATOM 1025 CA LYS A 65 0.223 11.889 2.998 1.00 11.22 C ATOM 1026 C LYS A 65 -0.130 12.628 1.711 1.00 65.21 C ATOM 1027 O LYS A 65 -1.222 13.181 1.580 1.00 52.13 O ATOM 1028 CB LYS A 65 -0.737 12.304 4.116 1.00 42.13 C ATOM 1029 CG LYS A 65 -0.384 11.715 5.471 1.00 43.25 C ATOM 1030 CD LYS A 65 -0.408 10.196 5.442 1.00 50.22 C ATOM 1031 CE LYS A 65 0.051 9.606 6.766 1.00 3.23 C ATOM 1032 NZ LYS A 65 -1.089 9.372 7.694 1.00 34.24 N ATOM 0 H LYS A 65 2.172 11.322 3.521 1.00 64.34 H new ATOM 0 HA LYS A 65 0.124 10.818 2.820 1.00 11.22 H new ATOM 0 HB2 LYS A 65 -0.744 13.391 4.193 1.00 42.13 H new ATOM 0 HB3 LYS A 65 -1.748 11.997 3.848 1.00 42.13 H new ATOM 0 HG2 LYS A 65 0.606 12.058 5.771 1.00 43.25 H new ATOM 0 HG3 LYS A 65 -1.088 12.077 6.221 1.00 43.25 H new ATOM 0 HD2 LYS A 65 -1.418 9.851 5.219 1.00 50.22 H new ATOM 0 HD3 LYS A 65 0.236 9.836 4.639 1.00 50.22 H new ATOM 0 HE2 LYS A 65 0.570 8.665 6.584 1.00 3.23 H new ATOM 0 HE3 LYS A 65 0.768 10.280 7.235 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -0.734 8.969 8.585 1.00 34.24 H new ATOM 0 HZ2 LYS A 65 -1.569 10.274 7.888 1.00 34.24 H new ATOM 0 HZ3 LYS A 65 -1.761 8.709 7.258 1.00 34.24 H new ATOM 1046 N LEU A 66 0.801 12.632 0.763 1.00 60.41 N ATOM 1047 CA LEU A 66 0.588 13.301 -0.516 1.00 31.03 C ATOM 1048 C LEU A 66 0.020 12.333 -1.549 1.00 15.42 C ATOM 1049 O LEU A 66 0.270 11.129 -1.492 1.00 10.31 O ATOM 1050 CB LEU A 66 1.901 13.897 -1.027 1.00 13.24 C ATOM 1051 CG LEU A 66 2.145 15.369 -0.691 1.00 71.12 C ATOM 1052 CD1 LEU A 66 3.633 15.683 -0.718 1.00 33.32 C ATOM 1053 CD2 LEU A 66 1.391 16.269 -1.659 1.00 72.23 C ATOM 0 H LEU A 66 1.710 12.180 0.856 1.00 60.41 H new ATOM 0 HA LEU A 66 -0.133 14.104 -0.362 1.00 31.03 H new ATOM 0 HB2 LEU A 66 2.725 13.311 -0.621 1.00 13.24 H new ATOM 0 HB3 LEU A 66 1.932 13.782 -2.111 1.00 13.24 H new ATOM 0 HG LEU A 66 1.772 15.559 0.316 1.00 71.12 H new ATOM 0 HD11 LEU A 66 3.787 16.735 -0.477 1.00 33.32 H new ATOM 0 HD12 LEU A 66 4.149 15.063 0.015 1.00 33.32 H new ATOM 0 HD13 LEU A 66 4.030 15.477 -1.712 1.00 33.32 H new ATOM 0 HD21 LEU A 66 1.576 17.313 -1.405 1.00 72.23 H new ATOM 0 HD22 LEU A 66 1.733 16.077 -2.676 1.00 72.23 H new ATOM 0 HD23 LEU A 66 0.323 16.063 -1.591 1.00 72.23 H new ATOM 1065 N LYS A 67 -0.746 12.868 -2.494 1.00 44.14 N ATOM 1066 CA LYS A 67 -1.347 12.054 -3.544 1.00 35.14 C ATOM 1067 C LYS A 67 -0.282 11.512 -4.490 1.00 65.24 C ATOM 1068 O LYS A 67 0.837 12.021 -4.562 1.00 0.35 O ATOM 1069 CB LYS A 67 -2.373 12.874 -4.329 1.00 50.42 C ATOM 1070 CG LYS A 67 -3.802 12.677 -3.855 1.00 33.32 C ATOM 1071 CD LYS A 67 -4.643 13.921 -4.085 1.00 14.02 C ATOM 1072 CE LYS A 67 -6.109 13.671 -3.764 1.00 22.54 C ATOM 1073 NZ LYS A 67 -7.004 14.620 -4.481 1.00 11.11 N ATOM 0 H LYS A 67 -0.965 13.862 -2.554 1.00 44.14 H new ATOM 0 HA LYS A 67 -1.850 11.210 -3.071 1.00 35.14 H new ATOM 0 HB2 LYS A 67 -2.116 13.931 -4.252 1.00 50.42 H new ATOM 0 HB3 LYS A 67 -2.309 12.606 -5.384 1.00 50.42 H new ATOM 0 HG2 LYS A 67 -4.248 11.833 -4.382 1.00 33.32 H new ATOM 0 HG3 LYS A 67 -3.803 12.427 -2.794 1.00 33.32 H new ATOM 0 HD2 LYS A 67 -4.267 14.735 -3.465 1.00 14.02 H new ATOM 0 HD3 LYS A 67 -4.546 14.240 -5.123 1.00 14.02 H new ATOM 0 HE2 LYS A 67 -6.371 12.649 -4.036 1.00 22.54 H new ATOM 0 HE3 LYS A 67 -6.266 13.765 -2.690 1.00 22.54 H new ATOM 0 HZ1 LYS A 67 -7.994 14.416 -4.235 1.00 11.11 H new ATOM 0 HZ2 LYS A 67 -6.771 15.595 -4.202 1.00 11.11 H new ATOM 0 HZ3 LYS A 67 -6.873 14.513 -5.507 1.00 11.11 H new ATOM 1087 N PRO A 68 -0.634 10.455 -5.237 1.00 32.31 N ATOM 1088 CA PRO A 68 0.278 9.822 -6.195 1.00 11.25 C ATOM 1089 C PRO A 68 0.554 10.708 -7.404 1.00 52.44 C ATOM 1090 O PRO A 68 1.669 10.738 -7.922 1.00 44.10 O ATOM 1091 CB PRO A 68 -0.474 8.558 -6.618 1.00 64.22 C ATOM 1092 CG PRO A 68 -1.911 8.879 -6.395 1.00 72.12 C ATOM 1093 CD PRO A 68 -1.951 9.796 -5.204 1.00 63.21 C ATOM 0 HA PRO A 68 1.257 9.626 -5.758 1.00 11.25 H new ATOM 0 HB2 PRO A 68 -0.281 8.313 -7.662 1.00 64.22 H new ATOM 0 HB3 PRO A 68 -0.164 7.697 -6.026 1.00 64.22 H new ATOM 0 HG2 PRO A 68 -2.344 9.360 -7.272 1.00 72.12 H new ATOM 0 HG3 PRO A 68 -2.489 7.974 -6.210 1.00 72.12 H new ATOM 0 HD2 PRO A 68 -2.764 10.518 -5.280 1.00 63.21 H new ATOM 0 HD3 PRO A 68 -2.101 9.244 -4.276 1.00 63.21 H new ATOM 1101 N ASN A 69 -0.470 11.429 -7.850 1.00 0.42 N ATOM 1102 CA ASN A 69 -0.337 12.317 -9.000 1.00 20.24 C ATOM 1103 C ASN A 69 0.345 13.623 -8.603 1.00 22.41 C ATOM 1104 O ASN A 69 0.812 14.377 -9.457 1.00 15.51 O ATOM 1105 CB ASN A 69 -1.711 12.610 -9.606 1.00 21.24 C ATOM 1106 CG ASN A 69 -2.587 13.433 -8.681 1.00 70.12 C ATOM 1107 OD1 ASN A 69 -3.052 12.945 -7.651 1.00 3.22 O ATOM 1108 ND2 ASN A 69 -2.817 14.689 -9.047 1.00 22.32 N ATOM 0 H ASN A 69 -1.401 11.416 -7.433 1.00 0.42 H new ATOM 0 HA ASN A 69 0.282 11.816 -9.745 1.00 20.24 H new ATOM 0 HB2 ASN A 69 -1.583 13.141 -10.549 1.00 21.24 H new ATOM 0 HB3 ASN A 69 -2.212 11.670 -9.835 1.00 21.24 H new ATOM 0 HD21 ASN A 69 -3.400 15.291 -8.465 1.00 22.32 H new ATOM 0 HD22 ASN A 69 -2.411 15.051 -9.910 1.00 22.32 H new ATOM 1115 N THR A 70 0.401 13.883 -7.300 1.00 54.14 N ATOM 1116 CA THR A 70 1.025 15.097 -6.790 1.00 12.03 C ATOM 1117 C THR A 70 2.168 15.549 -7.691 1.00 61.42 C ATOM 1118 O THR A 70 3.055 14.764 -8.027 1.00 62.40 O ATOM 1119 CB THR A 70 1.563 14.894 -5.361 1.00 34.24 C ATOM 1120 OG1 THR A 70 0.477 14.649 -4.459 1.00 4.30 O ATOM 1121 CG2 THR A 70 2.347 16.113 -4.899 1.00 61.32 C ATOM 0 H THR A 70 0.022 13.269 -6.579 1.00 54.14 H new ATOM 0 HA THR A 70 0.253 15.866 -6.774 1.00 12.03 H new ATOM 0 HB THR A 70 2.232 14.033 -5.367 1.00 34.24 H new ATOM 0 HG1 THR A 70 0.598 13.776 -4.031 1.00 4.30 H new ATOM 0 HG21 THR A 70 2.717 15.946 -3.887 1.00 61.32 H new ATOM 0 HG22 THR A 70 3.189 16.280 -5.570 1.00 61.32 H new ATOM 0 HG23 THR A 70 1.697 16.988 -4.908 1.00 61.32 H new ATOM 1129 N LYS A 71 2.142 16.819 -8.080 1.00 63.22 N ATOM 1130 CA LYS A 71 3.178 17.377 -8.942 1.00 31.22 C ATOM 1131 C LYS A 71 4.217 18.135 -8.122 1.00 50.44 C ATOM 1132 O LYS A 71 3.892 18.748 -7.105 1.00 31.11 O ATOM 1133 CB LYS A 71 2.555 18.308 -9.984 1.00 45.42 C ATOM 1134 CG LYS A 71 1.307 17.742 -10.639 1.00 25.34 C ATOM 1135 CD LYS A 71 0.060 18.490 -10.202 1.00 14.44 C ATOM 1136 CE LYS A 71 0.028 19.901 -10.770 1.00 23.02 C ATOM 1137 NZ LYS A 71 -1.229 20.168 -11.522 1.00 11.35 N ATOM 0 H LYS A 71 1.415 17.482 -7.812 1.00 63.22 H new ATOM 0 HA LYS A 71 3.676 16.552 -9.452 1.00 31.22 H new ATOM 0 HB2 LYS A 71 2.307 19.257 -9.508 1.00 45.42 H new ATOM 0 HB3 LYS A 71 3.295 18.522 -10.756 1.00 45.42 H new ATOM 0 HG2 LYS A 71 1.406 17.800 -11.723 1.00 25.34 H new ATOM 0 HG3 LYS A 71 1.208 16.687 -10.384 1.00 25.34 H new ATOM 0 HD2 LYS A 71 -0.826 17.945 -10.529 1.00 14.44 H new ATOM 0 HD3 LYS A 71 0.024 18.534 -9.113 1.00 14.44 H new ATOM 0 HE2 LYS A 71 0.125 20.622 -9.958 1.00 23.02 H new ATOM 0 HE3 LYS A 71 0.884 20.046 -11.430 1.00 23.02 H new ATOM 0 HZ1 LYS A 71 -1.212 21.139 -11.893 1.00 11.35 H new ATOM 0 HZ2 LYS A 71 -1.310 19.497 -12.312 1.00 11.35 H new ATOM 0 HZ3 LYS A 71 -2.044 20.054 -10.887 1.00 11.35 H new ATOM 1151 N ILE A 72 5.466 18.091 -8.573 1.00 42.40 N ATOM 1152 CA ILE A 72 6.551 18.777 -7.882 1.00 64.04 C ATOM 1153 C ILE A 72 7.137 19.889 -8.746 1.00 14.20 C ATOM 1154 O ILE A 72 7.505 19.665 -9.899 1.00 10.14 O ATOM 1155 CB ILE A 72 7.676 17.800 -7.492 1.00 1.13 C ATOM 1156 CG1 ILE A 72 7.120 16.669 -6.623 1.00 44.44 C ATOM 1157 CG2 ILE A 72 8.789 18.538 -6.762 1.00 73.20 C ATOM 1158 CD1 ILE A 72 6.470 17.152 -5.346 1.00 2.41 C ATOM 0 H ILE A 72 5.752 17.588 -9.413 1.00 42.40 H new ATOM 0 HA ILE A 72 6.125 19.209 -6.977 1.00 64.04 H new ATOM 0 HB ILE A 72 8.091 17.365 -8.401 1.00 1.13 H new ATOM 0 HG12 ILE A 72 6.390 16.103 -7.201 1.00 44.44 H new ATOM 0 HG13 ILE A 72 7.929 15.983 -6.372 1.00 44.44 H new ATOM 0 HG21 ILE A 72 9.577 17.834 -6.493 1.00 73.20 H new ATOM 0 HG22 ILE A 72 9.200 19.311 -7.411 1.00 73.20 H new ATOM 0 HG23 ILE A 72 8.389 18.998 -5.858 1.00 73.20 H new ATOM 0 HD11 ILE A 72 6.099 16.297 -4.781 1.00 2.41 H new ATOM 0 HD12 ILE A 72 7.203 17.693 -4.747 1.00 2.41 H new ATOM 0 HD13 ILE A 72 5.639 17.815 -5.589 1.00 2.41 H new ATOM 1170 N MET A 73 7.221 21.089 -8.180 1.00 33.54 N ATOM 1171 CA MET A 73 7.764 22.236 -8.897 1.00 65.31 C ATOM 1172 C MET A 73 9.211 22.495 -8.490 1.00 45.41 C ATOM 1173 O MET A 73 9.572 22.355 -7.322 1.00 31.21 O ATOM 1174 CB MET A 73 6.916 23.480 -8.630 1.00 1.41 C ATOM 1175 CG MET A 73 5.459 23.321 -9.034 1.00 3.12 C ATOM 1176 SD MET A 73 4.372 24.484 -8.186 1.00 65.15 S ATOM 1177 CE MET A 73 4.040 25.655 -9.500 1.00 51.21 C ATOM 0 H MET A 73 6.920 21.292 -7.227 1.00 33.54 H new ATOM 0 HA MET A 73 7.739 22.012 -9.963 1.00 65.31 H new ATOM 0 HB2 MET A 73 6.966 23.722 -7.568 1.00 1.41 H new ATOM 0 HB3 MET A 73 7.344 24.324 -9.170 1.00 1.41 H new ATOM 0 HG2 MET A 73 5.367 23.463 -10.111 1.00 3.12 H new ATOM 0 HG3 MET A 73 5.135 22.303 -8.818 1.00 3.12 H new ATOM 0 HE1 MET A 73 3.379 26.439 -9.130 1.00 51.21 H new ATOM 0 HE2 MET A 73 4.977 26.099 -9.836 1.00 51.21 H new ATOM 0 HE3 MET A 73 3.562 25.140 -10.334 1.00 51.21 H new ATOM 1187 N MET A 74 10.036 22.875 -9.461 1.00 73.53 N ATOM 1188 CA MET A 74 11.443 23.154 -9.203 1.00 3.55 C ATOM 1189 C MET A 74 11.875 24.448 -9.887 1.00 22.42 C ATOM 1190 O MET A 74 11.669 24.624 -11.087 1.00 63.12 O ATOM 1191 CB MET A 74 12.314 21.993 -9.686 1.00 34.32 C ATOM 1192 CG MET A 74 11.858 20.637 -9.171 1.00 72.14 C ATOM 1193 SD MET A 74 12.374 19.279 -10.239 1.00 44.25 S ATOM 1194 CE MET A 74 13.174 18.201 -9.054 1.00 35.34 C ATOM 0 H MET A 74 9.754 22.997 -10.434 1.00 73.53 H new ATOM 0 HA MET A 74 11.572 23.271 -8.127 1.00 3.55 H new ATOM 0 HB2 MET A 74 12.313 21.978 -10.776 1.00 34.32 H new ATOM 0 HB3 MET A 74 13.343 22.165 -9.370 1.00 34.32 H new ATOM 0 HG2 MET A 74 12.259 20.479 -8.170 1.00 72.14 H new ATOM 0 HG3 MET A 74 10.772 20.633 -9.083 1.00 72.14 H new ATOM 0 HE1 MET A 74 13.594 17.339 -9.572 1.00 35.34 H new ATOM 0 HE2 MET A 74 13.972 18.745 -8.548 1.00 35.34 H new ATOM 0 HE3 MET A 74 12.444 17.862 -8.319 1.00 35.34 H new ATOM 1204 N MET A 75 12.474 25.349 -9.115 1.00 63.42 N ATOM 1205 CA MET A 75 12.936 26.625 -9.648 1.00 55.25 C ATOM 1206 C MET A 75 14.451 26.748 -9.529 1.00 43.32 C ATOM 1207 O MET A 75 15.014 26.585 -8.447 1.00 53.42 O ATOM 1208 CB MET A 75 12.259 27.784 -8.914 1.00 34.34 C ATOM 1209 CG MET A 75 10.747 27.803 -9.071 1.00 72.13 C ATOM 1210 SD MET A 75 10.178 29.129 -10.152 1.00 50.13 S ATOM 1211 CE MET A 75 9.025 29.974 -9.073 1.00 40.42 C ATOM 0 H MET A 75 12.651 25.219 -8.119 1.00 63.42 H new ATOM 0 HA MET A 75 12.668 26.667 -10.704 1.00 55.25 H new ATOM 0 HB2 MET A 75 12.505 27.725 -7.854 1.00 34.34 H new ATOM 0 HB3 MET A 75 12.666 28.725 -9.284 1.00 34.34 H new ATOM 0 HG2 MET A 75 10.415 26.845 -9.472 1.00 72.13 H new ATOM 0 HG3 MET A 75 10.285 27.916 -8.090 1.00 72.13 H new ATOM 0 HE1 MET A 75 8.588 30.822 -9.600 1.00 40.42 H new ATOM 0 HE2 MET A 75 8.234 29.285 -8.775 1.00 40.42 H new ATOM 0 HE3 MET A 75 9.550 30.330 -8.186 1.00 40.42 H new ATOM 1221 N GLY A 76 15.107 27.037 -10.649 1.00 63.22 N ATOM 1222 CA GLY A 76 16.552 27.176 -10.648 1.00 12.22 C ATOM 1223 C GLY A 76 17.169 26.830 -11.988 1.00 60.13 C ATOM 1224 O GLY A 76 16.515 26.932 -13.027 1.00 22.20 O ATOM 0 H GLY A 76 14.664 27.177 -11.557 1.00 63.22 H new ATOM 0 HA2 GLY A 76 16.815 28.200 -10.384 1.00 12.22 H new ATOM 0 HA3 GLY A 76 16.975 26.530 -9.879 1.00 12.22 H new ATOM 1228 N THR A 77 18.434 26.420 -11.968 1.00 13.42 N ATOM 1229 CA THR A 77 19.141 26.061 -13.191 1.00 35.25 C ATOM 1230 C THR A 77 19.891 24.744 -13.025 1.00 2.42 C ATOM 1231 O THR A 77 20.481 24.483 -11.976 1.00 75.10 O ATOM 1232 CB THR A 77 20.138 27.159 -13.606 1.00 72.55 C ATOM 1233 OG1 THR A 77 20.986 26.678 -14.656 1.00 13.13 O ATOM 1234 CG2 THR A 77 20.986 27.596 -12.422 1.00 63.20 C ATOM 0 H THR A 77 18.990 26.328 -11.118 1.00 13.42 H new ATOM 0 HA THR A 77 18.388 25.951 -13.972 1.00 35.25 H new ATOM 0 HB THR A 77 19.571 28.019 -13.962 1.00 72.55 H new ATOM 0 HG1 THR A 77 21.616 27.382 -14.916 1.00 13.13 H new ATOM 0 HG21 THR A 77 21.682 28.372 -12.740 1.00 63.20 H new ATOM 0 HG22 THR A 77 20.340 27.988 -11.637 1.00 63.20 H new ATOM 0 HG23 THR A 77 21.545 26.742 -12.040 1.00 63.20 H new