USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 680 hydrogens (1 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+ -116:sc= 0.128 (180deg=0) 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=-0.28) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.00693 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 51:sc= 0.629 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 149:sc= -0.967 (180deg=-2.29!) USER MOD Single : A 30 GLN : amide:sc= -0.784 K(o=-0.78,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -159:sc= -0.546 (180deg=-1.32!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0814 USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -4.27! C(o=-4.3!,f=-9.2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.78 K(o=-2.8,f=-3.4!) 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= -0.202 X(o=-0.2,f=-0.53) USER MOD Single : A 70 THR OG1 : rot 115:sc= -1.6! 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 -174:sc= -2.04 (180deg=-2.39) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 42:sc= 0.729 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 2.893 1.290 -1.389 1.00 71.33 C ATOM 4 O MET A 1 2.833 2.169 -0.531 1.00 12.32 O ATOM 5 CB MET A 1 1.158 -0.174 -2.441 1.00 32.13 C ATOM 6 CG MET A 1 0.672 -1.602 -2.631 1.00 12.22 C ATOM 7 SD MET A 1 0.600 -2.086 -4.366 1.00 53.32 S ATOM 8 CE MET A 1 1.031 -3.820 -4.252 1.00 62.32 C ATOM 0 H1 MET A 1 1.671 -0.762 0.619 1.00 0.00 H new ATOM 0 H2 MET A 1 1.448 0.915 0.480 1.00 0.00 H new ATOM 0 H3 MET A 1 0.322 -0.152 -0.212 1.00 0.00 H new ATOM 0 HA MET A 1 2.790 -0.838 -1.210 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.296 0.481 -2.317 1.00 32.13 H new ATOM 0 HB3 MET A 1 1.676 0.148 -3.345 1.00 32.13 H new ATOM 0 HG2 MET A 1 1.335 -2.282 -2.095 1.00 12.22 H new ATOM 0 HG3 MET A 1 -0.318 -1.707 -2.187 1.00 12.22 H new ATOM 0 HE1 MET A 1 1.029 -4.262 -5.249 1.00 62.32 H new ATOM 0 HE2 MET A 1 2.023 -3.920 -3.813 1.00 62.32 H new ATOM 0 HE3 MET A 1 0.303 -4.335 -3.625 1.00 62.32 H new ATOM 18 N ALA A 2 3.642 1.395 -2.482 1.00 53.22 N ATOM 19 CA ALA A 2 4.452 2.579 -2.742 1.00 20.34 C ATOM 20 C ALA A 2 3.603 3.713 -3.305 1.00 73.35 C ATOM 21 O ALA A 2 2.589 3.475 -3.963 1.00 15.01 O ATOM 22 CB ALA A 2 5.587 2.242 -3.697 1.00 25.22 C ATOM 0 H ALA A 2 3.705 0.675 -3.201 1.00 53.22 H new ATOM 0 HA ALA A 2 4.876 2.914 -1.795 1.00 20.34 H new ATOM 0 HB1 ALA A 2 6.184 3.135 -3.882 1.00 25.22 H new ATOM 0 HB2 ALA A 2 6.217 1.470 -3.255 1.00 25.22 H new ATOM 0 HB3 ALA A 2 5.175 1.879 -4.639 1.00 25.22 H new ATOM 28 N LEU A 3 4.022 4.946 -3.044 1.00 61.21 N ATOM 29 CA LEU A 3 3.299 6.118 -3.525 1.00 61.03 C ATOM 30 C LEU A 3 4.098 6.847 -4.600 1.00 43.35 C ATOM 31 O LEU A 3 5.123 7.474 -4.329 1.00 70.33 O ATOM 32 CB LEU A 3 2.998 7.068 -2.365 1.00 4.02 C ATOM 33 CG LEU A 3 1.551 7.088 -1.872 1.00 1.32 C ATOM 34 CD1 LEU A 3 1.397 8.055 -0.708 1.00 1.01 C ATOM 35 CD2 LEU A 3 0.607 7.461 -3.005 1.00 73.14 C ATOM 0 H LEU A 3 4.859 5.160 -2.502 1.00 61.21 H new ATOM 0 HA LEU A 3 2.360 5.780 -3.963 1.00 61.03 H new ATOM 0 HB2 LEU A 3 3.643 6.802 -1.527 1.00 4.02 H new ATOM 0 HB3 LEU A 3 3.271 8.078 -2.669 1.00 4.02 H new ATOM 0 HG LEU A 3 1.292 6.088 -1.524 1.00 1.32 H new ATOM 0 HD11 LEU A 3 0.361 8.056 -0.370 1.00 1.01 H new ATOM 0 HD12 LEU A 3 2.045 7.744 0.111 1.00 1.01 H new ATOM 0 HD13 LEU A 3 1.675 9.059 -1.030 1.00 1.01 H new ATOM 0 HD21 LEU A 3 -0.419 7.470 -2.636 1.00 73.14 H new ATOM 0 HD22 LEU A 3 0.866 8.450 -3.383 1.00 73.14 H new ATOM 0 HD23 LEU A 3 0.697 6.730 -3.809 1.00 73.14 H new ATOM 47 N PRO A 4 3.619 6.767 -5.851 1.00 3.22 N ATOM 48 CA PRO A 4 4.272 7.416 -6.992 1.00 22.13 C ATOM 49 C PRO A 4 4.155 8.935 -6.940 1.00 3.45 C ATOM 50 O PRO A 4 3.248 9.476 -6.306 1.00 22.10 O ATOM 51 CB PRO A 4 3.510 6.862 -8.198 1.00 43.13 C ATOM 52 CG PRO A 4 2.171 6.489 -7.662 1.00 43.22 C ATOM 53 CD PRO A 4 2.403 6.038 -6.247 1.00 30.32 C ATOM 0 HA PRO A 4 5.343 7.215 -7.018 1.00 22.13 H new ATOM 0 HB2 PRO A 4 3.426 7.607 -8.989 1.00 43.13 H new ATOM 0 HB3 PRO A 4 4.020 5.999 -8.626 1.00 43.13 H new ATOM 0 HG2 PRO A 4 1.488 7.337 -7.694 1.00 43.22 H new ATOM 0 HG3 PRO A 4 1.720 5.694 -8.256 1.00 43.22 H new ATOM 0 HD2 PRO A 4 1.559 6.285 -5.603 1.00 30.32 H new ATOM 0 HD3 PRO A 4 2.544 4.959 -6.187 1.00 30.32 H new ATOM 61 N ILE A 5 5.077 9.618 -7.609 1.00 44.42 N ATOM 62 CA ILE A 5 5.076 11.076 -7.640 1.00 32.33 C ATOM 63 C ILE A 5 5.680 11.599 -8.938 1.00 53.05 C ATOM 64 O ILE A 5 6.698 11.092 -9.410 1.00 73.51 O ATOM 65 CB ILE A 5 5.856 11.665 -6.450 1.00 24.41 C ATOM 66 CG1 ILE A 5 5.256 11.181 -5.128 1.00 53.23 C ATOM 67 CG2 ILE A 5 5.854 13.185 -6.515 1.00 35.43 C ATOM 68 CD1 ILE A 5 5.907 11.794 -3.908 1.00 64.04 C ATOM 0 H ILE A 5 5.835 9.186 -8.137 1.00 44.42 H new ATOM 0 HA ILE A 5 4.035 11.392 -7.574 1.00 32.33 H new ATOM 0 HB ILE A 5 6.889 11.320 -6.506 1.00 24.41 H new ATOM 0 HG12 ILE A 5 4.191 11.412 -5.116 1.00 53.23 H new ATOM 0 HG13 ILE A 5 5.348 10.096 -5.072 1.00 53.23 H new ATOM 0 HG21 ILE A 5 6.409 13.586 -5.667 1.00 35.43 H new ATOM 0 HG22 ILE A 5 6.324 13.510 -7.443 1.00 35.43 H new ATOM 0 HG23 ILE A 5 4.827 13.549 -6.481 1.00 35.43 H new ATOM 0 HD11 ILE A 5 5.431 11.405 -3.008 1.00 64.04 H new ATOM 0 HD12 ILE A 5 6.967 11.542 -3.896 1.00 64.04 H new ATOM 0 HD13 ILE A 5 5.792 12.877 -3.940 1.00 64.04 H new ATOM 80 N ILE A 6 5.047 12.618 -9.511 1.00 34.54 N ATOM 81 CA ILE A 6 5.523 13.212 -10.753 1.00 63.44 C ATOM 82 C ILE A 6 6.405 14.425 -10.480 1.00 12.43 C ATOM 83 O ILE A 6 6.124 15.221 -9.583 1.00 31.20 O ATOM 84 CB ILE A 6 4.353 13.635 -11.660 1.00 53.31 C ATOM 85 CG1 ILE A 6 3.735 12.411 -12.338 1.00 34.44 C ATOM 86 CG2 ILE A 6 4.825 14.641 -12.700 1.00 21.52 C ATOM 87 CD1 ILE A 6 2.222 12.407 -12.316 1.00 41.33 C ATOM 0 H ILE A 6 4.203 13.049 -9.134 1.00 34.54 H new ATOM 0 HA ILE A 6 6.109 12.448 -11.263 1.00 63.44 H new ATOM 0 HB ILE A 6 3.589 14.110 -11.044 1.00 53.31 H new ATOM 0 HG12 ILE A 6 4.075 12.368 -13.373 1.00 34.44 H new ATOM 0 HG13 ILE A 6 4.100 11.510 -11.845 1.00 34.44 H new ATOM 0 HG21 ILE A 6 3.986 14.930 -13.333 1.00 21.52 H new ATOM 0 HG22 ILE A 6 5.222 15.524 -12.199 1.00 21.52 H new ATOM 0 HG23 ILE A 6 5.605 14.191 -13.314 1.00 21.52 H new ATOM 0 HD11 ILE A 6 1.853 11.510 -12.814 1.00 41.33 H new ATOM 0 HD12 ILE A 6 1.873 12.418 -11.283 1.00 41.33 H new ATOM 0 HD13 ILE A 6 1.848 13.290 -12.835 1.00 41.33 H new ATOM 99 N VAL A 7 7.472 14.563 -11.260 1.00 22.20 N ATOM 100 CA VAL A 7 8.394 15.682 -11.104 1.00 61.43 C ATOM 101 C VAL A 7 8.597 16.414 -12.426 1.00 2.44 C ATOM 102 O VAL A 7 9.000 15.817 -13.424 1.00 53.33 O ATOM 103 CB VAL A 7 9.762 15.212 -10.575 1.00 21.02 C ATOM 104 CG1 VAL A 7 10.391 14.211 -11.532 1.00 55.14 C ATOM 105 CG2 VAL A 7 10.684 16.402 -10.353 1.00 61.52 C ATOM 0 H VAL A 7 7.720 13.914 -12.007 1.00 22.20 H new ATOM 0 HA VAL A 7 7.947 16.363 -10.379 1.00 61.43 H new ATOM 0 HB VAL A 7 9.610 14.715 -9.617 1.00 21.02 H new ATOM 0 HG11 VAL A 7 11.357 13.891 -11.141 1.00 55.14 H new ATOM 0 HG12 VAL A 7 9.736 13.346 -11.635 1.00 55.14 H new ATOM 0 HG13 VAL A 7 10.531 14.678 -12.507 1.00 55.14 H new ATOM 0 HG21 VAL A 7 11.646 16.052 -9.979 1.00 61.52 H new ATOM 0 HG22 VAL A 7 10.831 16.929 -11.296 1.00 61.52 H new ATOM 0 HG23 VAL A 7 10.236 17.078 -9.625 1.00 61.52 H new ATOM 115 N LYS A 8 8.316 17.713 -12.425 1.00 4.13 N ATOM 116 CA LYS A 8 8.469 18.530 -13.623 1.00 4.35 C ATOM 117 C LYS A 8 9.666 19.467 -13.493 1.00 11.54 C ATOM 118 O LYS A 8 9.714 20.306 -12.592 1.00 65.52 O ATOM 119 CB LYS A 8 7.197 19.342 -13.877 1.00 4.21 C ATOM 120 CG LYS A 8 6.854 20.304 -12.752 1.00 65.22 C ATOM 121 CD LYS A 8 5.353 20.489 -12.616 1.00 14.24 C ATOM 122 CE LYS A 8 4.798 21.379 -13.718 1.00 22.23 C ATOM 123 NZ LYS A 8 4.516 22.757 -13.229 1.00 24.00 N ATOM 0 H LYS A 8 7.981 18.223 -11.607 1.00 4.13 H new ATOM 0 HA LYS A 8 8.642 17.863 -14.468 1.00 4.35 H new ATOM 0 HB2 LYS A 8 7.315 19.906 -14.802 1.00 4.21 H new ATOM 0 HB3 LYS A 8 6.362 18.657 -14.025 1.00 4.21 H new ATOM 0 HG2 LYS A 8 7.262 19.928 -11.814 1.00 65.22 H new ATOM 0 HG3 LYS A 8 7.325 21.269 -12.941 1.00 65.22 H new ATOM 0 HD2 LYS A 8 4.861 19.517 -12.650 1.00 14.24 H new ATOM 0 HD3 LYS A 8 5.126 20.927 -11.644 1.00 14.24 H new ATOM 0 HE2 LYS A 8 5.511 21.425 -14.541 1.00 22.23 H new ATOM 0 HE3 LYS A 8 3.882 20.939 -14.113 1.00 22.23 H new ATOM 0 HZ1 LYS A 8 4.139 23.332 -14.009 1.00 24.00 H new ATOM 0 HZ2 LYS A 8 3.817 22.716 -12.460 1.00 24.00 H new ATOM 0 HZ3 LYS A 8 5.395 23.186 -12.875 1.00 24.00 H new ATOM 137 N TRP A 9 10.627 19.321 -14.397 1.00 61.21 N ATOM 138 CA TRP A 9 11.823 20.156 -14.384 1.00 32.13 C ATOM 139 C TRP A 9 11.966 20.922 -15.694 1.00 3.20 C ATOM 140 O TRP A 9 12.409 20.371 -16.701 1.00 4.42 O ATOM 141 CB TRP A 9 13.066 19.298 -14.141 1.00 50.42 C ATOM 142 CG TRP A 9 14.338 19.960 -14.577 1.00 42.11 C ATOM 143 CD1 TRP A 9 15.258 19.467 -15.458 1.00 4.13 C ATOM 144 CD2 TRP A 9 14.831 21.235 -14.151 1.00 32.14 C ATOM 145 NE1 TRP A 9 16.294 20.359 -15.604 1.00 75.22 N ATOM 146 CE2 TRP A 9 16.055 21.452 -14.814 1.00 34.32 C ATOM 147 CE3 TRP A 9 14.357 22.215 -13.275 1.00 15.30 C ATOM 148 CZ2 TRP A 9 16.808 22.607 -14.626 1.00 40.41 C ATOM 149 CZ3 TRP A 9 15.106 23.362 -13.090 1.00 33.44 C ATOM 150 CH2 TRP A 9 16.320 23.550 -13.763 1.00 11.50 C ATOM 0 H TRP A 9 10.602 18.632 -15.149 1.00 61.21 H new ATOM 0 HA TRP A 9 11.724 20.877 -13.573 1.00 32.13 H new ATOM 0 HB2 TRP A 9 13.133 19.061 -13.079 1.00 50.42 H new ATOM 0 HB3 TRP A 9 12.956 18.353 -14.672 1.00 50.42 H new ATOM 0 HD1 TRP A 9 15.183 18.516 -15.965 1.00 4.13 H new ATOM 0 HE1 TRP A 9 17.109 20.228 -16.204 1.00 75.22 H new ATOM 0 HE3 TRP A 9 13.422 22.079 -12.752 1.00 15.30 H new ATOM 0 HZ2 TRP A 9 17.745 22.754 -15.143 1.00 40.41 H new ATOM 0 HZ3 TRP A 9 14.749 24.126 -12.415 1.00 33.44 H new ATOM 0 HH2 TRP A 9 16.882 24.457 -13.597 1.00 11.50 H new ATOM 161 N GLY A 10 11.589 22.197 -15.674 1.00 34.02 N ATOM 162 CA GLY A 10 11.683 23.018 -16.867 1.00 25.32 C ATOM 163 C GLY A 10 10.376 23.082 -17.632 1.00 4.13 C ATOM 164 O GLY A 10 9.602 24.024 -17.473 1.00 13.54 O ATOM 0 H GLY A 10 11.220 22.676 -14.853 1.00 34.02 H new ATOM 0 HA2 GLY A 10 11.986 24.027 -16.587 1.00 25.32 H new ATOM 0 HA3 GLY A 10 12.462 22.620 -17.517 1.00 25.32 H new ATOM 168 N GLY A 11 10.131 22.077 -18.467 1.00 32.12 N ATOM 169 CA GLY A 11 8.908 22.044 -19.248 1.00 64.53 C ATOM 170 C GLY A 11 8.456 20.630 -19.557 1.00 43.13 C ATOM 171 O GLY A 11 7.687 20.409 -20.492 1.00 70.10 O ATOM 0 H GLY A 11 10.757 21.286 -18.617 1.00 32.12 H new ATOM 0 HA2 GLY A 11 8.119 22.564 -18.704 1.00 64.53 H new ATOM 0 HA3 GLY A 11 9.062 22.585 -20.182 1.00 64.53 H new ATOM 175 N GLN A 12 8.936 19.672 -18.771 1.00 63.24 N ATOM 176 CA GLN A 12 8.578 18.272 -18.968 1.00 50.12 C ATOM 177 C GLN A 12 8.082 17.649 -17.667 1.00 65.14 C ATOM 178 O GLN A 12 8.114 18.283 -16.614 1.00 15.44 O ATOM 179 CB GLN A 12 9.778 17.486 -19.499 1.00 41.43 C ATOM 180 CG GLN A 12 9.893 17.503 -21.015 1.00 64.40 C ATOM 181 CD GLN A 12 9.019 16.456 -21.678 1.00 42.50 C ATOM 182 OE1 GLN A 12 7.813 16.648 -21.834 1.00 72.55 O ATOM 183 NE2 GLN A 12 9.624 15.342 -22.072 1.00 44.33 N ATOM 0 H GLN A 12 9.573 19.839 -17.992 1.00 63.24 H new ATOM 0 HA GLN A 12 7.772 18.229 -19.701 1.00 50.12 H new ATOM 0 HB2 GLN A 12 10.691 17.898 -19.069 1.00 41.43 H new ATOM 0 HB3 GLN A 12 9.704 16.453 -19.160 1.00 41.43 H new ATOM 0 HG2 GLN A 12 9.616 18.490 -21.386 1.00 64.40 H new ATOM 0 HG3 GLN A 12 10.932 17.336 -21.299 1.00 64.40 H new ATOM 0 HE21 GLN A 12 10.626 15.226 -21.922 1.00 44.33 H new ATOM 0 HE22 GLN A 12 9.087 14.602 -22.524 1.00 44.33 H new ATOM 192 N GLU A 13 7.626 16.403 -17.750 1.00 54.20 N ATOM 193 CA GLU A 13 7.122 15.696 -16.579 1.00 24.44 C ATOM 194 C GLU A 13 7.706 14.288 -16.501 1.00 60.31 C ATOM 195 O GLU A 13 7.848 13.606 -17.517 1.00 2.24 O ATOM 196 CB GLU A 13 5.594 15.625 -16.615 1.00 64.24 C ATOM 197 CG GLU A 13 4.919 16.979 -16.481 1.00 11.24 C ATOM 198 CD GLU A 13 3.420 16.907 -16.697 1.00 13.44 C ATOM 199 OE1 GLU A 13 2.991 16.233 -17.656 1.00 51.04 O ATOM 200 OE2 GLU A 13 2.676 17.525 -15.907 1.00 13.32 O ATOM 0 H GLU A 13 7.595 15.863 -18.615 1.00 54.20 H new ATOM 0 HA GLU A 13 7.431 16.249 -15.692 1.00 24.44 H new ATOM 0 HB2 GLU A 13 5.282 15.164 -17.552 1.00 64.24 H new ATOM 0 HB3 GLU A 13 5.250 14.975 -15.810 1.00 64.24 H new ATOM 0 HG2 GLU A 13 5.120 17.385 -15.490 1.00 11.24 H new ATOM 0 HG3 GLU A 13 5.354 17.671 -17.203 1.00 11.24 H new ATOM 207 N TYR A 14 8.043 13.859 -15.290 1.00 15.33 N ATOM 208 CA TYR A 14 8.614 12.534 -15.079 1.00 14.42 C ATOM 209 C TYR A 14 7.973 11.851 -13.875 1.00 25.44 C ATOM 210 O TYR A 14 8.065 12.339 -12.748 1.00 72.32 O ATOM 211 CB TYR A 14 10.127 12.634 -14.878 1.00 53.21 C ATOM 212 CG TYR A 14 10.854 13.246 -16.054 1.00 24.21 C ATOM 213 CD1 TYR A 14 10.811 14.615 -16.287 1.00 30.02 C ATOM 214 CD2 TYR A 14 11.585 12.455 -16.932 1.00 75.23 C ATOM 215 CE1 TYR A 14 11.474 15.178 -17.360 1.00 53.32 C ATOM 216 CE2 TYR A 14 12.252 13.010 -18.007 1.00 75.42 C ATOM 217 CZ TYR A 14 12.193 14.372 -18.217 1.00 70.41 C ATOM 218 OH TYR A 14 12.855 14.928 -19.288 1.00 31.14 O ATOM 0 H TYR A 14 7.931 14.410 -14.439 1.00 15.33 H new ATOM 0 HA TYR A 14 8.411 11.933 -15.965 1.00 14.42 H new ATOM 0 HB2 TYR A 14 10.328 13.229 -13.987 1.00 53.21 H new ATOM 0 HB3 TYR A 14 10.527 11.637 -14.693 1.00 53.21 H new ATOM 0 HD1 TYR A 14 10.250 15.250 -15.618 1.00 30.02 H new ATOM 0 HD2 TYR A 14 11.633 11.388 -16.771 1.00 75.23 H new ATOM 0 HE1 TYR A 14 11.429 16.244 -17.527 1.00 53.32 H new ATOM 0 HE2 TYR A 14 12.817 12.381 -18.679 1.00 75.42 H new ATOM 0 HH TYR A 14 13.313 14.223 -19.791 1.00 31.14 H new ATOM 228 N SER A 15 7.326 10.716 -14.121 1.00 52.44 N ATOM 229 CA SER A 15 6.667 9.966 -13.059 1.00 61.51 C ATOM 230 C SER A 15 7.668 9.089 -12.312 1.00 41.40 C ATOM 231 O SER A 15 8.486 8.401 -12.923 1.00 75.01 O ATOM 232 CB SER A 15 5.546 9.100 -13.637 1.00 61.42 C ATOM 233 OG SER A 15 6.072 8.010 -14.375 1.00 42.33 O ATOM 0 H SER A 15 7.244 10.296 -15.047 1.00 52.44 H new ATOM 0 HA SER A 15 6.239 10.680 -12.355 1.00 61.51 H new ATOM 0 HB2 SER A 15 4.917 8.726 -12.829 1.00 61.42 H new ATOM 0 HB3 SER A 15 4.910 9.706 -14.282 1.00 61.42 H new ATOM 0 HG SER A 15 5.336 7.471 -14.732 1.00 42.33 H new ATOM 239 N VAL A 16 7.598 9.121 -10.985 1.00 35.30 N ATOM 240 CA VAL A 16 8.496 8.329 -10.153 1.00 11.43 C ATOM 241 C VAL A 16 7.844 7.016 -9.736 1.00 24.23 C ATOM 242 O VAL A 16 6.706 6.995 -9.266 1.00 3.34 O ATOM 243 CB VAL A 16 8.919 9.104 -8.890 1.00 71.51 C ATOM 244 CG1 VAL A 16 9.844 8.257 -8.029 1.00 71.33 C ATOM 245 CG2 VAL A 16 9.585 10.418 -9.269 1.00 72.44 C ATOM 0 H VAL A 16 6.929 9.687 -10.463 1.00 35.30 H new ATOM 0 HA VAL A 16 9.380 8.117 -10.754 1.00 11.43 H new ATOM 0 HB VAL A 16 8.026 9.331 -8.308 1.00 71.51 H new ATOM 0 HG11 VAL A 16 10.132 8.820 -7.142 1.00 71.33 H new ATOM 0 HG12 VAL A 16 9.328 7.345 -7.728 1.00 71.33 H new ATOM 0 HG13 VAL A 16 10.736 7.997 -8.600 1.00 71.33 H new ATOM 0 HG21 VAL A 16 9.877 10.952 -8.365 1.00 72.44 H new ATOM 0 HG22 VAL A 16 10.470 10.217 -9.873 1.00 72.44 H new ATOM 0 HG23 VAL A 16 8.886 11.028 -9.841 1.00 72.44 H new ATOM 255 N THR A 17 8.574 5.918 -9.910 1.00 52.03 N ATOM 256 CA THR A 17 8.067 4.599 -9.553 1.00 24.01 C ATOM 257 C THR A 17 9.164 3.737 -8.938 1.00 11.23 C ATOM 258 O THR A 17 9.917 3.070 -9.648 1.00 40.55 O ATOM 259 CB THR A 17 7.484 3.870 -10.778 1.00 42.23 C ATOM 260 OG1 THR A 17 8.288 4.133 -11.933 1.00 44.44 O ATOM 261 CG2 THR A 17 6.052 4.312 -11.040 1.00 22.03 C ATOM 0 H THR A 17 9.518 5.917 -10.296 1.00 52.03 H new ATOM 0 HA THR A 17 7.275 4.753 -8.820 1.00 24.01 H new ATOM 0 HB THR A 17 7.485 2.800 -10.571 1.00 42.23 H new ATOM 0 HG1 THR A 17 9.222 3.910 -11.739 1.00 44.44 H new ATOM 0 HG21 THR A 17 5.662 3.784 -11.910 1.00 22.03 H new ATOM 0 HG22 THR A 17 5.436 4.084 -10.170 1.00 22.03 H new ATOM 0 HG23 THR A 17 6.031 5.385 -11.228 1.00 22.03 H new ATOM 269 N THR A 18 9.249 3.754 -7.611 1.00 61.30 N ATOM 270 CA THR A 18 10.254 2.974 -6.900 1.00 22.01 C ATOM 271 C THR A 18 10.242 3.291 -5.409 1.00 21.32 C ATOM 272 O THR A 18 10.586 2.445 -4.581 1.00 54.43 O ATOM 273 CB THR A 18 11.666 3.236 -7.457 1.00 61.43 C ATOM 274 OG1 THR A 18 12.653 2.760 -6.535 1.00 12.53 O ATOM 275 CG2 THR A 18 11.879 4.719 -7.716 1.00 44.32 C ATOM 0 H THR A 18 8.634 4.300 -7.007 1.00 61.30 H new ATOM 0 HA THR A 18 10.002 1.924 -7.048 1.00 22.01 H new ATOM 0 HB THR A 18 11.765 2.701 -8.402 1.00 61.43 H new ATOM 0 HG1 THR A 18 13.548 2.929 -6.897 1.00 12.53 H new ATOM 0 HG21 THR A 18 12.883 4.879 -8.109 1.00 44.32 H new ATOM 0 HG22 THR A 18 11.145 5.071 -8.441 1.00 44.32 H new ATOM 0 HG23 THR A 18 11.762 5.272 -6.784 1.00 44.32 H new ATOM 283 N LEU A 19 9.844 4.512 -5.072 1.00 3.44 N ATOM 284 CA LEU A 19 9.787 4.941 -3.678 1.00 74.03 C ATOM 285 C LEU A 19 8.460 4.541 -3.040 1.00 50.43 C ATOM 286 O LEU A 19 7.436 4.450 -3.718 1.00 4.21 O ATOM 287 CB LEU A 19 9.976 6.456 -3.582 1.00 22.22 C ATOM 288 CG LEU A 19 11.350 6.931 -3.107 1.00 14.33 C ATOM 289 CD1 LEU A 19 11.561 6.575 -1.644 1.00 23.34 C ATOM 290 CD2 LEU A 19 12.450 6.330 -3.969 1.00 31.22 C ATOM 0 H LEU A 19 9.556 5.223 -5.744 1.00 3.44 H new ATOM 0 HA LEU A 19 10.593 4.446 -3.137 1.00 74.03 H new ATOM 0 HB2 LEU A 19 9.783 6.889 -4.563 1.00 22.22 H new ATOM 0 HB3 LEU A 19 9.221 6.854 -2.904 1.00 22.22 H new ATOM 0 HG LEU A 19 11.392 8.016 -3.205 1.00 14.33 H new ATOM 0 HD11 LEU A 19 12.544 6.921 -1.324 1.00 23.34 H new ATOM 0 HD12 LEU A 19 10.792 7.055 -1.038 1.00 23.34 H new ATOM 0 HD13 LEU A 19 11.498 5.494 -1.520 1.00 23.34 H new ATOM 0 HD21 LEU A 19 13.420 6.679 -3.616 1.00 31.22 H new ATOM 0 HD22 LEU A 19 12.410 5.243 -3.904 1.00 31.22 H new ATOM 0 HD23 LEU A 19 12.309 6.637 -5.005 1.00 31.22 H new ATOM 302 N SER A 20 8.485 4.306 -1.732 1.00 43.33 N ATOM 303 CA SER A 20 7.285 3.915 -1.002 1.00 40.25 C ATOM 304 C SER A 20 7.123 4.750 0.264 1.00 11.20 C ATOM 305 O SER A 20 8.040 5.461 0.672 1.00 4.24 O ATOM 306 CB SER A 20 7.343 2.429 -0.643 1.00 55.13 C ATOM 307 OG SER A 20 8.650 1.912 -0.822 1.00 34.44 O ATOM 0 H SER A 20 9.324 4.380 -1.156 1.00 43.33 H new ATOM 0 HA SER A 20 6.424 4.093 -1.646 1.00 40.25 H new ATOM 0 HB2 SER A 20 7.032 2.289 0.392 1.00 55.13 H new ATOM 0 HB3 SER A 20 6.641 1.874 -1.265 1.00 55.13 H new ATOM 0 HG SER A 20 9.296 2.489 -0.363 1.00 34.44 H new ATOM 313 N GLU A 21 5.949 4.658 0.880 1.00 34.42 N ATOM 314 CA GLU A 21 5.666 5.405 2.100 1.00 54.12 C ATOM 315 C GLU A 21 6.657 5.043 3.202 1.00 11.21 C ATOM 316 O GLU A 21 6.860 5.809 4.144 1.00 24.14 O ATOM 317 CB GLU A 21 4.237 5.130 2.573 1.00 32.11 C ATOM 318 CG GLU A 21 3.194 5.278 1.478 1.00 32.51 C ATOM 319 CD GLU A 21 1.779 5.088 1.991 1.00 42.44 C ATOM 320 OE1 GLU A 21 1.552 4.134 2.764 1.00 54.34 O ATOM 321 OE2 GLU A 21 0.900 5.894 1.619 1.00 63.42 O ATOM 0 H GLU A 21 5.179 4.074 0.555 1.00 34.42 H new ATOM 0 HA GLU A 21 5.769 6.467 1.877 1.00 54.12 H new ATOM 0 HB2 GLU A 21 4.186 4.119 2.978 1.00 32.11 H new ATOM 0 HB3 GLU A 21 3.995 5.812 3.388 1.00 32.11 H new ATOM 0 HG2 GLU A 21 3.283 6.266 1.027 1.00 32.51 H new ATOM 0 HG3 GLU A 21 3.392 4.550 0.692 1.00 32.51 H new ATOM 328 N ASP A 22 7.270 3.871 3.077 1.00 52.41 N ATOM 329 CA ASP A 22 8.240 3.407 4.061 1.00 22.04 C ATOM 330 C ASP A 22 9.508 4.254 4.016 1.00 1.01 C ATOM 331 O ASP A 22 10.365 4.154 4.894 1.00 21.13 O ATOM 332 CB ASP A 22 8.585 1.937 3.815 1.00 12.34 C ATOM 333 CG ASP A 22 9.018 1.224 5.081 1.00 0.53 C ATOM 334 OD1 ASP A 22 10.156 1.463 5.536 1.00 63.31 O ATOM 335 OD2 ASP A 22 8.219 0.428 5.617 1.00 21.31 O ATOM 0 H ASP A 22 7.112 3.225 2.304 1.00 52.41 H new ATOM 0 HA ASP A 22 7.793 3.507 5.050 1.00 22.04 H new ATOM 0 HB2 ASP A 22 7.717 1.429 3.394 1.00 12.34 H new ATOM 0 HB3 ASP A 22 9.382 1.873 3.075 1.00 12.34 H new ATOM 340 N ASP A 23 9.621 5.086 2.987 1.00 53.40 N ATOM 341 CA ASP A 23 10.784 5.951 2.827 1.00 40.22 C ATOM 342 C ASP A 23 10.457 7.383 3.239 1.00 44.35 C ATOM 343 O ASP A 23 9.609 7.615 4.101 1.00 42.32 O ATOM 344 CB ASP A 23 11.272 5.923 1.377 1.00 34.34 C ATOM 345 CG ASP A 23 11.282 4.522 0.798 1.00 63.14 C ATOM 346 OD1 ASP A 23 10.190 3.993 0.502 1.00 11.40 O ATOM 347 OD2 ASP A 23 12.383 3.954 0.639 1.00 41.53 O ATOM 0 H ASP A 23 8.921 5.180 2.251 1.00 53.40 H new ATOM 0 HA ASP A 23 11.576 5.577 3.476 1.00 40.22 H new ATOM 0 HB2 ASP A 23 10.631 6.560 0.768 1.00 34.34 H new ATOM 0 HB3 ASP A 23 12.277 6.341 1.327 1.00 34.34 H new ATOM 352 N THR A 24 11.137 8.342 2.617 1.00 1.11 N ATOM 353 CA THR A 24 10.921 9.751 2.920 1.00 2.21 C ATOM 354 C THR A 24 10.840 10.582 1.644 1.00 24.24 C ATOM 355 O THR A 24 11.168 10.103 0.558 1.00 14.43 O ATOM 356 CB THR A 24 12.043 10.312 3.814 1.00 64.10 C ATOM 357 OG1 THR A 24 13.181 9.444 3.774 1.00 22.55 O ATOM 358 CG2 THR A 24 11.566 10.465 5.250 1.00 14.11 C ATOM 0 H THR A 24 11.842 8.168 1.900 1.00 1.11 H new ATOM 0 HA THR A 24 9.973 9.817 3.454 1.00 2.21 H new ATOM 0 HB THR A 24 12.322 11.295 3.434 1.00 64.10 H new ATOM 0 HG1 THR A 24 13.891 9.808 4.343 1.00 22.55 H new ATOM 0 HG21 THR A 24 12.376 10.863 5.862 1.00 14.11 H new ATOM 0 HG22 THR A 24 10.718 11.149 5.281 1.00 14.11 H new ATOM 0 HG23 THR A 24 11.262 9.493 5.638 1.00 14.11 H new ATOM 366 N VAL A 25 10.403 11.829 1.783 1.00 41.53 N ATOM 367 CA VAL A 25 10.281 12.728 0.641 1.00 62.22 C ATOM 368 C VAL A 25 11.642 13.004 0.011 1.00 73.32 C ATOM 369 O VAL A 25 11.783 13.005 -1.213 1.00 30.32 O ATOM 370 CB VAL A 25 9.634 14.066 1.046 1.00 65.21 C ATOM 371 CG1 VAL A 25 9.611 15.026 -0.133 1.00 40.33 C ATOM 372 CG2 VAL A 25 8.231 13.837 1.586 1.00 72.24 C ATOM 0 H VAL A 25 10.127 12.240 2.675 1.00 41.53 H new ATOM 0 HA VAL A 25 9.641 12.230 -0.087 1.00 62.22 H new ATOM 0 HB VAL A 25 10.234 14.515 1.837 1.00 65.21 H new ATOM 0 HG11 VAL A 25 9.150 15.966 0.172 1.00 40.33 H new ATOM 0 HG12 VAL A 25 10.631 15.214 -0.469 1.00 40.33 H new ATOM 0 HG13 VAL A 25 9.035 14.587 -0.948 1.00 40.33 H new ATOM 0 HG21 VAL A 25 7.789 14.793 1.867 1.00 72.24 H new ATOM 0 HG22 VAL A 25 7.618 13.366 0.818 1.00 72.24 H new ATOM 0 HG23 VAL A 25 8.279 13.188 2.461 1.00 72.24 H new ATOM 382 N LEU A 26 12.641 13.237 0.854 1.00 44.00 N ATOM 383 CA LEU A 26 13.993 13.514 0.380 1.00 21.12 C ATOM 384 C LEU A 26 14.542 12.337 -0.420 1.00 35.32 C ATOM 385 O LEU A 26 15.363 12.514 -1.319 1.00 64.32 O ATOM 386 CB LEU A 26 14.917 13.817 1.561 1.00 14.14 C ATOM 387 CG LEU A 26 15.774 12.653 2.059 1.00 31.21 C ATOM 388 CD1 LEU A 26 17.082 12.584 1.286 1.00 12.41 C ATOM 389 CD2 LEU A 26 16.041 12.787 3.551 1.00 34.43 C ATOM 0 H LEU A 26 12.541 13.240 1.869 1.00 44.00 H new ATOM 0 HA LEU A 26 13.950 14.385 -0.273 1.00 21.12 H new ATOM 0 HB2 LEU A 26 15.580 14.635 1.277 1.00 14.14 H new ATOM 0 HB3 LEU A 26 14.307 14.174 2.391 1.00 14.14 H new ATOM 0 HG LEU A 26 15.226 11.726 1.890 1.00 31.21 H new ATOM 0 HD11 LEU A 26 17.679 11.750 1.654 1.00 12.41 H new ATOM 0 HD12 LEU A 26 16.871 12.440 0.226 1.00 12.41 H new ATOM 0 HD13 LEU A 26 17.635 13.513 1.423 1.00 12.41 H new ATOM 0 HD21 LEU A 26 16.652 11.950 3.888 1.00 34.43 H new ATOM 0 HD22 LEU A 26 16.568 13.722 3.744 1.00 34.43 H new ATOM 0 HD23 LEU A 26 15.094 12.786 4.092 1.00 34.43 H new ATOM 401 N ASP A 27 14.080 11.136 -0.088 1.00 11.24 N ATOM 402 CA ASP A 27 14.522 9.930 -0.777 1.00 74.42 C ATOM 403 C ASP A 27 13.949 9.871 -2.190 1.00 64.12 C ATOM 404 O ASP A 27 14.586 9.351 -3.108 1.00 54.20 O ATOM 405 CB ASP A 27 14.103 8.686 0.008 1.00 71.41 C ATOM 406 CG ASP A 27 15.160 7.599 -0.022 1.00 73.15 C ATOM 407 OD1 ASP A 27 16.361 7.940 -0.035 1.00 23.55 O ATOM 408 OD2 ASP A 27 14.785 6.408 -0.033 1.00 61.13 O ATOM 0 H ASP A 27 13.400 10.972 0.654 1.00 11.24 H new ATOM 0 HA ASP A 27 15.609 9.958 -0.845 1.00 74.42 H new ATOM 0 HB2 ASP A 27 13.901 8.964 1.042 1.00 71.41 H new ATOM 0 HB3 ASP A 27 13.173 8.296 -0.405 1.00 71.41 H new ATOM 413 N LEU A 28 12.745 10.406 -2.358 1.00 21.22 N ATOM 414 CA LEU A 28 12.086 10.414 -3.659 1.00 72.31 C ATOM 415 C LEU A 28 12.614 11.549 -4.530 1.00 63.34 C ATOM 416 O LEU A 28 12.969 11.342 -5.691 1.00 62.30 O ATOM 417 CB LEU A 28 10.572 10.551 -3.485 1.00 43.22 C ATOM 418 CG LEU A 28 9.712 9.979 -4.613 1.00 4.03 C ATOM 419 CD1 LEU A 28 8.514 9.235 -4.045 1.00 14.21 C ATOM 420 CD2 LEU A 28 9.259 11.087 -5.552 1.00 72.23 C ATOM 0 H LEU A 28 12.205 10.840 -1.609 1.00 21.22 H new ATOM 0 HA LEU A 28 12.304 9.468 -4.155 1.00 72.31 H new ATOM 0 HB2 LEU A 28 10.288 10.061 -2.554 1.00 43.22 H new ATOM 0 HB3 LEU A 28 10.333 11.609 -3.374 1.00 43.22 H new ATOM 0 HG LEU A 28 10.316 9.272 -5.183 1.00 4.03 H new ATOM 0 HD11 LEU A 28 7.913 8.835 -4.862 1.00 14.21 H new ATOM 0 HD12 LEU A 28 8.860 8.416 -3.414 1.00 14.21 H new ATOM 0 HD13 LEU A 28 7.909 9.920 -3.451 1.00 14.21 H new ATOM 0 HD21 LEU A 28 8.648 10.662 -6.348 1.00 72.23 H new ATOM 0 HD22 LEU A 28 8.672 11.818 -4.996 1.00 72.23 H new ATOM 0 HD23 LEU A 28 10.131 11.576 -5.985 1.00 72.23 H new ATOM 432 N LYS A 29 12.666 12.749 -3.962 1.00 71.24 N ATOM 433 CA LYS A 29 13.154 13.917 -4.685 1.00 4.32 C ATOM 434 C LYS A 29 14.613 13.734 -5.093 1.00 12.43 C ATOM 435 O LYS A 29 14.953 13.830 -6.271 1.00 71.15 O ATOM 436 CB LYS A 29 13.009 15.173 -3.823 1.00 14.24 C ATOM 437 CG LYS A 29 11.723 15.940 -4.078 1.00 15.14 C ATOM 438 CD LYS A 29 10.610 15.488 -3.147 1.00 12.13 C ATOM 439 CE LYS A 29 9.736 14.426 -3.797 1.00 2.22 C ATOM 440 NZ LYS A 29 8.319 14.869 -3.913 1.00 20.43 N ATOM 0 H LYS A 29 12.376 12.938 -3.003 1.00 71.24 H new ATOM 0 HA LYS A 29 12.554 14.031 -5.588 1.00 4.32 H new ATOM 0 HB2 LYS A 29 13.050 14.889 -2.772 1.00 14.24 H new ATOM 0 HB3 LYS A 29 13.858 15.831 -4.009 1.00 14.24 H new ATOM 0 HG2 LYS A 29 11.901 17.007 -3.942 1.00 15.14 H new ATOM 0 HG3 LYS A 29 11.413 15.798 -5.113 1.00 15.14 H new ATOM 0 HD2 LYS A 29 11.042 15.093 -2.227 1.00 12.13 H new ATOM 0 HD3 LYS A 29 9.997 16.345 -2.869 1.00 12.13 H new ATOM 0 HE2 LYS A 29 10.125 14.192 -4.788 1.00 2.22 H new ATOM 0 HE3 LYS A 29 9.783 13.508 -3.211 1.00 2.22 H new ATOM 0 HZ1 LYS A 29 7.888 14.437 -4.755 1.00 20.43 H new ATOM 0 HZ2 LYS A 29 7.793 14.575 -3.065 1.00 20.43 H new ATOM 0 HZ3 LYS A 29 8.285 15.905 -4.000 1.00 20.43 H new ATOM 454 N GLN A 30 15.469 13.470 -4.111 1.00 35.03 N ATOM 455 CA GLN A 30 16.890 13.273 -4.369 1.00 71.01 C ATOM 456 C GLN A 30 17.110 12.136 -5.361 1.00 64.13 C ATOM 457 O GLN A 30 18.148 12.065 -6.019 1.00 45.05 O ATOM 458 CB GLN A 30 17.631 12.978 -3.064 1.00 20.31 C ATOM 459 CG GLN A 30 17.640 11.504 -2.689 1.00 42.45 C ATOM 460 CD GLN A 30 18.873 10.782 -3.195 1.00 23.54 C ATOM 461 OE1 GLN A 30 19.898 11.402 -3.479 1.00 1.23 O ATOM 462 NE2 GLN A 30 18.781 9.462 -3.309 1.00 71.22 N ATOM 0 H GLN A 30 15.203 13.388 -3.130 1.00 35.03 H new ATOM 0 HA GLN A 30 17.286 14.191 -4.803 1.00 71.01 H new ATOM 0 HB2 GLN A 30 18.659 13.328 -3.153 1.00 20.31 H new ATOM 0 HB3 GLN A 30 17.169 13.547 -2.257 1.00 20.31 H new ATOM 0 HG2 GLN A 30 17.587 11.408 -1.605 1.00 42.45 H new ATOM 0 HG3 GLN A 30 16.750 11.024 -3.095 1.00 42.45 H new ATOM 0 HE21 GLN A 30 17.912 8.988 -3.062 1.00 71.22 H new ATOM 0 HE22 GLN A 30 19.579 8.922 -3.643 1.00 71.22 H new ATOM 471 N PHE A 31 16.127 11.248 -5.464 1.00 24.55 N ATOM 472 CA PHE A 31 16.215 10.112 -6.375 1.00 15.33 C ATOM 473 C PHE A 31 15.932 10.545 -7.811 1.00 21.44 C ATOM 474 O PHE A 31 16.739 10.310 -8.712 1.00 15.23 O ATOM 475 CB PHE A 31 15.230 9.019 -5.956 1.00 73.43 C ATOM 476 CG PHE A 31 15.092 7.917 -6.968 1.00 23.22 C ATOM 477 CD1 PHE A 31 14.159 8.007 -7.988 1.00 43.41 C ATOM 478 CD2 PHE A 31 15.896 6.790 -6.898 1.00 12.11 C ATOM 479 CE1 PHE A 31 14.031 6.995 -8.921 1.00 15.52 C ATOM 480 CE2 PHE A 31 15.772 5.775 -7.828 1.00 11.31 C ATOM 481 CZ PHE A 31 14.837 5.878 -8.840 1.00 23.51 C ATOM 0 H PHE A 31 15.260 11.293 -4.928 1.00 24.55 H new ATOM 0 HA PHE A 31 17.229 9.715 -6.327 1.00 15.33 H new ATOM 0 HB2 PHE A 31 15.555 8.592 -5.007 1.00 73.43 H new ATOM 0 HB3 PHE A 31 14.252 9.469 -5.784 1.00 73.43 H new ATOM 0 HD1 PHE A 31 13.524 8.878 -8.055 1.00 43.41 H new ATOM 0 HD2 PHE A 31 16.627 6.704 -6.108 1.00 12.11 H new ATOM 0 HE1 PHE A 31 13.301 7.079 -9.712 1.00 15.52 H new ATOM 0 HE2 PHE A 31 16.405 4.902 -7.764 1.00 11.31 H new ATOM 0 HZ PHE A 31 14.737 5.085 -9.567 1.00 23.51 H new ATOM 491 N LEU A 32 14.782 11.176 -8.016 1.00 52.33 N ATOM 492 CA LEU A 32 14.391 11.642 -9.343 1.00 20.34 C ATOM 493 C LEU A 32 15.293 12.781 -9.808 1.00 34.35 C ATOM 494 O LEU A 32 15.707 12.826 -10.966 1.00 60.00 O ATOM 495 CB LEU A 32 12.932 12.102 -9.334 1.00 22.22 C ATOM 496 CG LEU A 32 12.546 13.086 -8.230 1.00 14.53 C ATOM 497 CD1 LEU A 32 12.673 14.519 -8.724 1.00 15.23 C ATOM 498 CD2 LEU A 32 11.131 12.812 -7.742 1.00 15.02 C ATOM 0 H LEU A 32 14.104 11.377 -7.281 1.00 52.33 H new ATOM 0 HA LEU A 32 14.499 10.811 -10.040 1.00 20.34 H new ATOM 0 HB2 LEU A 32 12.711 12.562 -10.297 1.00 22.22 H new ATOM 0 HB3 LEU A 32 12.295 11.222 -9.248 1.00 22.22 H new ATOM 0 HG LEU A 32 13.231 12.950 -7.393 1.00 14.53 H new ATOM 0 HD11 LEU A 32 12.394 15.205 -7.925 1.00 15.23 H new ATOM 0 HD12 LEU A 32 13.703 14.711 -9.024 1.00 15.23 H new ATOM 0 HD13 LEU A 32 12.013 14.669 -9.578 1.00 15.23 H new ATOM 0 HD21 LEU A 32 10.873 13.522 -6.956 1.00 15.02 H new ATOM 0 HD22 LEU A 32 10.433 12.920 -8.572 1.00 15.02 H new ATOM 0 HD23 LEU A 32 11.072 11.797 -7.348 1.00 15.02 H new ATOM 510 N LYS A 33 15.595 13.699 -8.896 1.00 31.11 N ATOM 511 CA LYS A 33 16.450 14.837 -9.210 1.00 65.00 C ATOM 512 C LYS A 33 17.783 14.372 -9.788 1.00 44.41 C ATOM 513 O LYS A 33 18.421 15.089 -10.561 1.00 20.05 O ATOM 514 CB LYS A 33 16.693 15.681 -7.956 1.00 75.34 C ATOM 515 CG LYS A 33 18.157 16.000 -7.712 1.00 1.14 C ATOM 516 CD LYS A 33 18.868 14.855 -7.010 1.00 12.02 C ATOM 517 CE LYS A 33 20.304 14.712 -7.491 1.00 34.40 C ATOM 518 NZ LYS A 33 21.276 15.261 -6.506 1.00 61.20 N ATOM 0 H LYS A 33 15.260 13.677 -7.933 1.00 31.11 H new ATOM 0 HA LYS A 33 15.942 15.446 -9.957 1.00 65.00 H new ATOM 0 HB2 LYS A 33 16.136 16.614 -8.043 1.00 75.34 H new ATOM 0 HB3 LYS A 33 16.296 15.152 -7.090 1.00 75.34 H new ATOM 0 HG2 LYS A 33 18.649 16.206 -8.663 1.00 1.14 H new ATOM 0 HG3 LYS A 33 18.238 16.904 -7.109 1.00 1.14 H new ATOM 0 HD2 LYS A 33 18.859 15.025 -5.933 1.00 12.02 H new ATOM 0 HD3 LYS A 33 18.328 13.925 -7.190 1.00 12.02 H new ATOM 0 HE2 LYS A 33 20.524 13.660 -7.670 1.00 34.40 H new ATOM 0 HE3 LYS A 33 20.421 15.229 -8.444 1.00 34.40 H new ATOM 0 HZ1 LYS A 33 22.173 15.476 -6.986 1.00 61.20 H new ATOM 0 HZ2 LYS A 33 20.891 16.131 -6.087 1.00 61.20 H new ATOM 0 HZ3 LYS A 33 21.444 14.560 -5.756 1.00 61.20 H new ATOM 532 N THR A 34 18.199 13.168 -9.410 1.00 65.54 N ATOM 533 CA THR A 34 19.456 12.607 -9.891 1.00 40.33 C ATOM 534 C THR A 34 19.302 12.037 -11.296 1.00 75.15 C ATOM 535 O THR A 34 20.276 11.918 -12.040 1.00 43.11 O ATOM 536 CB THR A 34 19.973 11.500 -8.954 1.00 34.32 C ATOM 537 OG1 THR A 34 21.387 11.630 -8.774 1.00 42.22 O ATOM 538 CG2 THR A 34 19.653 10.123 -9.515 1.00 74.44 C ATOM 0 H THR A 34 17.684 12.562 -8.772 1.00 65.54 H new ATOM 0 HA THR A 34 20.179 13.423 -9.910 1.00 40.33 H new ATOM 0 HB THR A 34 19.474 11.608 -7.991 1.00 34.32 H new ATOM 0 HG1 THR A 34 21.707 10.923 -8.175 1.00 42.22 H new ATOM 0 HG21 THR A 34 20.028 9.357 -8.836 1.00 74.44 H new ATOM 0 HG22 THR A 34 18.574 10.016 -9.622 1.00 74.44 H new ATOM 0 HG23 THR A 34 20.128 10.008 -10.489 1.00 74.44 H new ATOM 546 N LEU A 35 18.072 11.686 -11.655 1.00 73.43 N ATOM 547 CA LEU A 35 17.789 11.128 -12.973 1.00 61.23 C ATOM 548 C LEU A 35 17.782 12.221 -14.037 1.00 63.22 C ATOM 549 O LEU A 35 18.564 12.182 -14.988 1.00 54.24 O ATOM 550 CB LEU A 35 16.443 10.401 -12.964 1.00 10.35 C ATOM 551 CG LEU A 35 16.154 9.540 -11.733 1.00 50.24 C ATOM 552 CD1 LEU A 35 14.763 8.931 -11.823 1.00 3.41 C ATOM 553 CD2 LEU A 35 17.206 8.451 -11.586 1.00 5.25 C ATOM 0 H LEU A 35 17.255 11.778 -11.052 1.00 73.43 H new ATOM 0 HA LEU A 35 18.578 10.416 -13.215 1.00 61.23 H new ATOM 0 HB2 LEU A 35 15.651 11.144 -13.057 1.00 10.35 H new ATOM 0 HB3 LEU A 35 16.390 9.765 -13.848 1.00 10.35 H new ATOM 0 HG LEU A 35 16.193 10.177 -10.850 1.00 50.24 H new ATOM 0 HD11 LEU A 35 14.575 8.322 -10.939 1.00 3.41 H new ATOM 0 HD12 LEU A 35 14.020 9.727 -11.880 1.00 3.41 H new ATOM 0 HD13 LEU A 35 14.696 8.307 -12.714 1.00 3.41 H new ATOM 0 HD21 LEU A 35 16.985 7.848 -10.705 1.00 5.25 H new ATOM 0 HD22 LEU A 35 17.198 7.816 -12.472 1.00 5.25 H new ATOM 0 HD23 LEU A 35 18.189 8.908 -11.475 1.00 5.25 H new ATOM 565 N THR A 36 16.896 13.197 -13.870 1.00 11.45 N ATOM 566 CA THR A 36 16.788 14.302 -14.814 1.00 72.11 C ATOM 567 C THR A 36 16.670 15.637 -14.088 1.00 4.03 C ATOM 568 O THR A 36 17.065 16.677 -14.613 1.00 1.23 O ATOM 569 CB THR A 36 15.573 14.128 -15.745 1.00 12.31 C ATOM 570 OG1 THR A 36 15.430 15.280 -16.583 1.00 55.15 O ATOM 571 CG2 THR A 36 14.299 13.920 -14.939 1.00 63.22 C ATOM 0 H THR A 36 16.242 13.245 -13.089 1.00 11.45 H new ATOM 0 HA THR A 36 17.699 14.297 -15.412 1.00 72.11 H new ATOM 0 HB THR A 36 15.740 13.247 -16.364 1.00 12.31 H new ATOM 0 HG1 THR A 36 14.762 15.099 -17.277 1.00 55.15 H new ATOM 0 HG21 THR A 36 13.455 13.800 -15.618 1.00 63.22 H new ATOM 0 HG22 THR A 36 14.400 13.026 -14.323 1.00 63.22 H new ATOM 0 HG23 THR A 36 14.129 14.785 -14.298 1.00 63.22 H new ATOM 579 N GLY A 37 16.125 15.600 -12.875 1.00 42.35 N ATOM 580 CA GLY A 37 15.966 16.814 -12.096 1.00 43.35 C ATOM 581 C GLY A 37 17.294 17.449 -11.735 1.00 5.02 C ATOM 582 O GLY A 37 18.353 16.963 -12.135 1.00 55.30 O ATOM 0 H GLY A 37 15.791 14.751 -12.419 1.00 42.35 H new ATOM 0 HA2 GLY A 37 15.367 17.528 -12.660 1.00 43.35 H new ATOM 0 HA3 GLY A 37 15.415 16.587 -11.183 1.00 43.35 H new ATOM 586 N VAL A 38 17.241 18.539 -10.976 1.00 54.55 N ATOM 587 CA VAL A 38 18.449 19.242 -10.561 1.00 54.43 C ATOM 588 C VAL A 38 18.662 19.126 -9.056 1.00 41.42 C ATOM 589 O VAL A 38 17.717 19.236 -8.274 1.00 22.33 O ATOM 590 CB VAL A 38 18.392 20.732 -10.947 1.00 54.42 C ATOM 591 CG1 VAL A 38 17.006 21.300 -10.682 1.00 13.44 C ATOM 592 CG2 VAL A 38 19.453 21.519 -10.192 1.00 73.24 C ATOM 0 H VAL A 38 16.374 18.954 -10.636 1.00 54.55 H new ATOM 0 HA VAL A 38 19.284 18.772 -11.081 1.00 54.43 H new ATOM 0 HB VAL A 38 18.597 20.821 -12.014 1.00 54.42 H new ATOM 0 HG11 VAL A 38 16.985 22.354 -10.961 1.00 13.44 H new ATOM 0 HG12 VAL A 38 16.270 20.754 -11.272 1.00 13.44 H new ATOM 0 HG13 VAL A 38 16.768 21.200 -9.623 1.00 13.44 H new ATOM 0 HG21 VAL A 38 19.398 22.570 -10.477 1.00 73.24 H new ATOM 0 HG22 VAL A 38 19.282 21.424 -9.120 1.00 73.24 H new ATOM 0 HG23 VAL A 38 20.440 21.127 -10.438 1.00 73.24 H new ATOM 602 N LEU A 39 19.909 18.905 -8.657 1.00 25.42 N ATOM 603 CA LEU A 39 20.249 18.774 -7.244 1.00 14.11 C ATOM 604 C LEU A 39 19.770 19.988 -6.455 1.00 14.25 C ATOM 605 O LEU A 39 19.676 21.100 -6.975 1.00 15.12 O ATOM 606 CB LEU A 39 21.760 18.606 -7.075 1.00 74.43 C ATOM 607 CG LEU A 39 22.636 19.385 -8.057 1.00 35.11 C ATOM 608 CD1 LEU A 39 22.720 18.658 -9.390 1.00 24.21 C ATOM 609 CD2 LEU A 39 22.096 20.795 -8.250 1.00 22.33 C ATOM 0 H LEU A 39 20.702 18.813 -9.292 1.00 25.42 H new ATOM 0 HA LEU A 39 19.746 17.888 -6.855 1.00 14.11 H new ATOM 0 HB2 LEU A 39 22.028 18.907 -6.062 1.00 74.43 H new ATOM 0 HB3 LEU A 39 22.000 17.547 -7.166 1.00 74.43 H new ATOM 0 HG LEU A 39 23.641 19.455 -7.641 1.00 35.11 H new ATOM 0 HD11 LEU A 39 23.347 19.227 -10.076 1.00 24.21 H new ATOM 0 HD12 LEU A 39 23.152 17.669 -9.238 1.00 24.21 H new ATOM 0 HD13 LEU A 39 21.720 18.556 -9.812 1.00 24.21 H new ATOM 0 HD21 LEU A 39 22.732 21.335 -8.952 1.00 22.33 H new ATOM 0 HD22 LEU A 39 21.081 20.745 -8.644 1.00 22.33 H new ATOM 0 HD23 LEU A 39 22.088 21.316 -7.293 1.00 22.33 H new ATOM 621 N PRO A 40 19.461 19.773 -5.167 1.00 41.10 N ATOM 622 CA PRO A 40 18.989 20.838 -4.277 1.00 45.54 C ATOM 623 C PRO A 40 20.085 21.846 -3.948 1.00 44.31 C ATOM 624 O PRO A 40 19.802 22.980 -3.563 1.00 44.35 O ATOM 625 CB PRO A 40 18.561 20.084 -3.017 1.00 34.24 C ATOM 626 CG PRO A 40 19.368 18.832 -3.031 1.00 72.14 C ATOM 627 CD PRO A 40 19.549 18.473 -4.480 1.00 44.45 C ATOM 0 HA PRO A 40 18.190 21.424 -4.731 1.00 45.54 H new ATOM 0 HB2 PRO A 40 18.756 20.671 -2.119 1.00 34.24 H new ATOM 0 HB3 PRO A 40 17.493 19.867 -3.030 1.00 34.24 H new ATOM 0 HG2 PRO A 40 20.331 18.983 -2.543 1.00 72.14 H new ATOM 0 HG3 PRO A 40 18.859 18.033 -2.492 1.00 72.14 H new ATOM 0 HD2 PRO A 40 20.509 17.989 -4.657 1.00 44.45 H new ATOM 0 HD3 PRO A 40 18.777 17.784 -4.823 1.00 44.45 H new ATOM 635 N GLU A 41 21.337 21.425 -4.102 1.00 73.42 N ATOM 636 CA GLU A 41 22.475 22.292 -3.820 1.00 75.13 C ATOM 637 C GLU A 41 22.369 23.599 -4.601 1.00 60.20 C ATOM 638 O GLU A 41 22.703 24.668 -4.090 1.00 70.12 O ATOM 639 CB GLU A 41 23.784 21.581 -4.168 1.00 42.44 C ATOM 640 CG GLU A 41 25.009 22.474 -4.059 1.00 12.24 C ATOM 641 CD GLU A 41 26.201 21.757 -3.456 1.00 44.13 C ATOM 642 OE1 GLU A 41 26.349 21.791 -2.217 1.00 21.14 O ATOM 643 OE2 GLU A 41 26.987 21.163 -4.224 1.00 32.22 O ATOM 0 H GLU A 41 21.588 20.489 -4.420 1.00 73.42 H new ATOM 0 HA GLU A 41 22.468 22.524 -2.755 1.00 75.13 H new ATOM 0 HB2 GLU A 41 23.909 20.724 -3.506 1.00 42.44 H new ATOM 0 HB3 GLU A 41 23.717 21.192 -5.184 1.00 42.44 H new ATOM 0 HG2 GLU A 41 25.275 22.843 -5.050 1.00 12.24 H new ATOM 0 HG3 GLU A 41 24.767 23.344 -3.449 1.00 12.24 H new ATOM 650 N ARG A 42 21.903 23.504 -5.842 1.00 30.10 N ATOM 651 CA ARG A 42 21.755 24.677 -6.694 1.00 40.34 C ATOM 652 C ARG A 42 20.290 25.092 -6.799 1.00 62.35 C ATOM 653 O ARG A 42 19.969 26.279 -6.776 1.00 52.44 O ATOM 654 CB ARG A 42 22.318 24.395 -8.089 1.00 13.53 C ATOM 655 CG ARG A 42 23.800 24.705 -8.221 1.00 71.33 C ATOM 656 CD ARG A 42 24.638 23.436 -8.193 1.00 43.32 C ATOM 657 NE ARG A 42 26.063 23.725 -8.053 1.00 60.01 N ATOM 658 CZ ARG A 42 26.955 22.836 -7.629 1.00 14.54 C ATOM 659 NH1 ARG A 42 26.570 21.610 -7.305 1.00 23.52 N ATOM 660 NH2 ARG A 42 28.234 23.175 -7.528 1.00 32.53 N ATOM 0 H ARG A 42 21.622 22.627 -6.279 1.00 30.10 H new ATOM 0 HA ARG A 42 22.315 25.496 -6.242 1.00 40.34 H new ATOM 0 HB2 ARG A 42 22.152 23.346 -8.334 1.00 13.53 H new ATOM 0 HB3 ARG A 42 21.765 24.984 -8.821 1.00 13.53 H new ATOM 0 HG2 ARG A 42 23.979 25.241 -9.153 1.00 71.33 H new ATOM 0 HG3 ARG A 42 24.109 25.365 -7.410 1.00 71.33 H new ATOM 0 HD2 ARG A 42 24.313 22.805 -7.366 1.00 43.32 H new ATOM 0 HD3 ARG A 42 24.471 22.871 -9.110 1.00 43.32 H new ATOM 0 HE ARG A 42 26.391 24.660 -8.294 1.00 60.01 H new ATOM 0 HH11 ARG A 42 25.587 21.347 -7.381 1.00 23.52 H new ATOM 0 HH12 ARG A 42 27.256 20.929 -6.980 1.00 23.52 H new ATOM 0 HH21 ARG A 42 28.533 24.118 -7.776 1.00 32.53 H new ATOM 0 HH22 ARG A 42 28.918 22.492 -7.202 1.00 32.53 H new ATOM 674 N GLN A 43 19.408 24.104 -6.915 1.00 41.44 N ATOM 675 CA GLN A 43 17.978 24.367 -7.025 1.00 41.23 C ATOM 676 C GLN A 43 17.293 24.229 -5.670 1.00 24.34 C ATOM 677 O GLN A 43 17.801 23.557 -4.771 1.00 50.22 O ATOM 678 CB GLN A 43 17.338 23.411 -8.033 1.00 63.32 C ATOM 679 CG GLN A 43 16.887 22.095 -7.421 1.00 30.40 C ATOM 680 CD GLN A 43 15.501 22.179 -6.813 1.00 73.42 C ATOM 681 OE1 GLN A 43 14.740 23.104 -7.098 1.00 44.32 O ATOM 682 NE2 GLN A 43 15.164 21.210 -5.970 1.00 71.51 N ATOM 0 H GLN A 43 19.658 23.115 -6.935 1.00 41.44 H new ATOM 0 HA GLN A 43 17.849 25.391 -7.374 1.00 41.23 H new ATOM 0 HB2 GLN A 43 16.480 23.902 -8.492 1.00 63.32 H new ATOM 0 HB3 GLN A 43 18.052 23.206 -8.830 1.00 63.32 H new ATOM 0 HG2 GLN A 43 16.897 21.320 -8.187 1.00 30.40 H new ATOM 0 HG3 GLN A 43 17.599 21.793 -6.653 1.00 30.40 H new ATOM 0 HE21 GLN A 43 15.826 20.462 -5.762 1.00 71.51 H new ATOM 0 HE22 GLN A 43 14.243 21.214 -5.531 1.00 71.51 H new ATOM 691 N LYS A 44 16.138 24.869 -5.528 1.00 74.31 N ATOM 692 CA LYS A 44 15.381 24.817 -4.283 1.00 4.05 C ATOM 693 C LYS A 44 13.934 24.409 -4.541 1.00 4.41 C ATOM 694 O LYS A 44 13.338 24.801 -5.545 1.00 64.44 O ATOM 695 CB LYS A 44 15.422 26.176 -3.581 1.00 12.34 C ATOM 696 CG LYS A 44 14.870 27.313 -4.424 1.00 21.13 C ATOM 697 CD LYS A 44 13.371 27.473 -4.231 1.00 44.41 C ATOM 698 CE LYS A 44 13.024 28.850 -3.685 1.00 31.32 C ATOM 699 NZ LYS A 44 11.693 29.317 -4.163 1.00 62.42 N ATOM 0 H LYS A 44 15.705 25.431 -6.261 1.00 74.31 H new ATOM 0 HA LYS A 44 15.841 24.068 -3.639 1.00 4.05 H new ATOM 0 HB2 LYS A 44 14.853 26.114 -2.653 1.00 12.34 H new ATOM 0 HB3 LYS A 44 16.453 26.404 -3.309 1.00 12.34 H new ATOM 0 HG2 LYS A 44 15.373 28.242 -4.158 1.00 21.13 H new ATOM 0 HG3 LYS A 44 15.084 27.125 -5.476 1.00 21.13 H new ATOM 0 HD2 LYS A 44 12.862 27.319 -5.182 1.00 44.41 H new ATOM 0 HD3 LYS A 44 13.007 26.707 -3.547 1.00 44.41 H new ATOM 0 HE2 LYS A 44 13.029 28.820 -2.595 1.00 31.32 H new ATOM 0 HE3 LYS A 44 13.790 29.564 -3.988 1.00 31.32 H new ATOM 0 HZ1 LYS A 44 11.493 30.259 -3.769 1.00 62.42 H new ATOM 0 HZ2 LYS A 44 11.696 29.370 -5.202 1.00 62.42 H new ATOM 0 HZ3 LYS A 44 10.959 28.649 -3.853 1.00 62.42 H new ATOM 713 N LEU A 45 13.374 23.623 -3.629 1.00 23.14 N ATOM 714 CA LEU A 45 11.996 23.163 -3.757 1.00 53.40 C ATOM 715 C LEU A 45 11.019 24.325 -3.610 1.00 55.42 C ATOM 716 O LEU A 45 11.167 25.167 -2.723 1.00 33.00 O ATOM 717 CB LEU A 45 11.694 22.093 -2.707 1.00 22.21 C ATOM 718 CG LEU A 45 12.310 20.716 -2.956 1.00 61.45 C ATOM 719 CD1 LEU A 45 11.927 20.201 -4.335 1.00 53.43 C ATOM 720 CD2 LEU A 45 13.824 20.773 -2.809 1.00 15.54 C ATOM 0 H LEU A 45 13.853 23.291 -2.792 1.00 23.14 H new ATOM 0 HA LEU A 45 11.874 22.732 -4.751 1.00 53.40 H new ATOM 0 HB2 LEU A 45 12.041 22.454 -1.739 1.00 22.21 H new ATOM 0 HB3 LEU A 45 10.612 21.978 -2.635 1.00 22.21 H new ATOM 0 HG LEU A 45 11.918 20.025 -2.210 1.00 61.45 H new ATOM 0 HD11 LEU A 45 12.375 19.220 -4.494 1.00 53.43 H new ATOM 0 HD12 LEU A 45 10.842 20.121 -4.405 1.00 53.43 H new ATOM 0 HD13 LEU A 45 12.289 20.893 -5.095 1.00 53.43 H new ATOM 0 HD21 LEU A 45 14.245 19.784 -2.990 1.00 15.54 H new ATOM 0 HD22 LEU A 45 14.233 21.479 -3.532 1.00 15.54 H new ATOM 0 HD23 LEU A 45 14.080 21.097 -1.800 1.00 15.54 H new ATOM 732 N LEU A 46 10.019 24.365 -4.484 1.00 34.41 N ATOM 733 CA LEU A 46 9.014 25.422 -4.450 1.00 45.35 C ATOM 734 C LEU A 46 7.993 25.169 -3.346 1.00 60.24 C ATOM 735 O LEU A 46 7.939 25.898 -2.357 1.00 51.43 O ATOM 736 CB LEU A 46 8.306 25.523 -5.803 1.00 4.24 C ATOM 737 CG LEU A 46 9.082 26.228 -6.916 1.00 3.54 C ATOM 738 CD1 LEU A 46 9.497 27.624 -6.476 1.00 21.14 C ATOM 739 CD2 LEU A 46 10.300 25.410 -7.318 1.00 24.12 C ATOM 0 H LEU A 46 9.883 23.678 -5.225 1.00 34.41 H new ATOM 0 HA LEU A 46 9.521 26.364 -4.240 1.00 45.35 H new ATOM 0 HB2 LEU A 46 8.063 24.515 -6.139 1.00 4.24 H new ATOM 0 HB3 LEU A 46 7.361 26.047 -5.658 1.00 4.24 H new ATOM 0 HG LEU A 46 8.429 26.322 -7.784 1.00 3.54 H new ATOM 0 HD11 LEU A 46 10.048 28.110 -7.281 1.00 21.14 H new ATOM 0 HD12 LEU A 46 8.609 28.210 -6.239 1.00 21.14 H new ATOM 0 HD13 LEU A 46 10.132 27.553 -5.593 1.00 21.14 H new ATOM 0 HD21 LEU A 46 10.840 25.927 -8.111 1.00 24.12 H new ATOM 0 HD22 LEU A 46 10.955 25.284 -6.456 1.00 24.12 H new ATOM 0 HD23 LEU A 46 9.979 24.432 -7.676 1.00 24.12 H new ATOM 751 N GLY A 47 7.185 24.127 -3.522 1.00 42.41 N ATOM 752 CA GLY A 47 6.178 23.795 -2.532 1.00 32.41 C ATOM 753 C GLY A 47 6.606 22.655 -1.629 1.00 62.54 C ATOM 754 O GLY A 47 5.962 21.605 -1.594 1.00 11.35 O ATOM 0 H GLY A 47 7.210 23.508 -4.332 1.00 42.41 H new ATOM 0 HA2 GLY A 47 5.966 24.675 -1.925 1.00 32.41 H new ATOM 0 HA3 GLY A 47 5.251 23.525 -3.038 1.00 32.41 H new ATOM 758 N LEU A 48 7.697 22.858 -0.900 1.00 23.05 N ATOM 759 CA LEU A 48 8.213 21.838 0.007 1.00 72.43 C ATOM 760 C LEU A 48 7.170 21.463 1.054 1.00 34.54 C ATOM 761 O LEU A 48 7.263 20.413 1.692 1.00 2.40 O ATOM 762 CB LEU A 48 9.486 22.334 0.694 1.00 64.25 C ATOM 763 CG LEU A 48 9.340 23.591 1.552 1.00 40.04 C ATOM 764 CD1 LEU A 48 8.898 23.227 2.960 1.00 14.24 C ATOM 765 CD2 LEU A 48 10.648 24.369 1.585 1.00 35.13 C ATOM 0 H LEU A 48 8.242 23.720 -0.919 1.00 23.05 H new ATOM 0 HA LEU A 48 8.447 20.950 -0.580 1.00 72.43 H new ATOM 0 HB2 LEU A 48 9.871 21.532 1.323 1.00 64.25 H new ATOM 0 HB3 LEU A 48 10.237 22.527 -0.072 1.00 64.25 H new ATOM 0 HG LEU A 48 8.574 24.226 1.106 1.00 40.04 H new ATOM 0 HD11 LEU A 48 8.799 24.134 3.556 1.00 14.24 H new ATOM 0 HD12 LEU A 48 7.937 22.714 2.919 1.00 14.24 H new ATOM 0 HD13 LEU A 48 9.640 22.572 3.416 1.00 14.24 H new ATOM 0 HD21 LEU A 48 10.526 25.260 2.200 1.00 35.13 H new ATOM 0 HD22 LEU A 48 11.434 23.742 2.007 1.00 35.13 H new ATOM 0 HD23 LEU A 48 10.923 24.662 0.572 1.00 35.13 H new ATOM 777 N LYS A 49 6.174 22.326 1.226 1.00 61.41 N ATOM 778 CA LYS A 49 5.110 22.085 2.193 1.00 20.33 C ATOM 779 C LYS A 49 3.779 21.841 1.489 1.00 41.52 C ATOM 780 O LYS A 49 3.491 22.448 0.457 1.00 5.20 O ATOM 781 CB LYS A 49 4.983 23.273 3.150 1.00 64.25 C ATOM 782 CG LYS A 49 5.578 24.559 2.603 1.00 14.41 C ATOM 783 CD LYS A 49 5.280 25.741 3.511 1.00 23.34 C ATOM 784 CE LYS A 49 5.261 27.049 2.736 1.00 41.01 C ATOM 785 NZ LYS A 49 5.012 28.217 3.625 1.00 13.21 N ATOM 0 H LYS A 49 6.082 23.199 0.707 1.00 61.41 H new ATOM 0 HA LYS A 49 5.368 21.193 2.764 1.00 20.33 H new ATOM 0 HB2 LYS A 49 3.929 23.437 3.375 1.00 64.25 H new ATOM 0 HB3 LYS A 49 5.475 23.026 4.091 1.00 64.25 H new ATOM 0 HG2 LYS A 49 6.657 24.445 2.495 1.00 14.41 H new ATOM 0 HG3 LYS A 49 5.177 24.753 1.608 1.00 14.41 H new ATOM 0 HD2 LYS A 49 4.317 25.592 3.999 1.00 23.34 H new ATOM 0 HD3 LYS A 49 6.032 25.795 4.299 1.00 23.34 H new ATOM 0 HE2 LYS A 49 6.213 27.180 2.222 1.00 41.01 H new ATOM 0 HE3 LYS A 49 4.488 27.005 1.969 1.00 41.01 H new ATOM 0 HZ1 LYS A 49 5.007 29.089 3.059 1.00 13.21 H new ATOM 0 HZ2 LYS A 49 4.092 28.105 4.096 1.00 13.21 H new ATOM 0 HZ3 LYS A 49 5.763 28.274 4.342 1.00 13.21 H new ATOM 799 N VAL A 50 2.970 20.951 2.054 1.00 52.03 N ATOM 800 CA VAL A 50 1.668 20.630 1.481 1.00 30.20 C ATOM 801 C VAL A 50 0.636 20.371 2.573 1.00 61.40 C ATOM 802 O VAL A 50 0.957 19.827 3.630 1.00 61.21 O ATOM 803 CB VAL A 50 1.748 19.396 0.562 1.00 11.23 C ATOM 804 CG1 VAL A 50 0.405 19.139 -0.105 1.00 44.31 C ATOM 805 CG2 VAL A 50 2.844 19.577 -0.477 1.00 75.15 C ATOM 0 H VAL A 50 3.193 20.439 2.908 1.00 52.03 H new ATOM 0 HA VAL A 50 1.360 21.493 0.891 1.00 30.20 H new ATOM 0 HB VAL A 50 1.996 18.526 1.170 1.00 11.23 H new ATOM 0 HG11 VAL A 50 0.481 18.264 -0.750 1.00 44.31 H new ATOM 0 HG12 VAL A 50 -0.353 18.962 0.659 1.00 44.31 H new ATOM 0 HG13 VAL A 50 0.123 20.006 -0.702 1.00 44.31 H new ATOM 0 HG21 VAL A 50 2.887 18.696 -1.118 1.00 75.15 H new ATOM 0 HG22 VAL A 50 2.629 20.457 -1.083 1.00 75.15 H new ATOM 0 HG23 VAL A 50 3.803 19.708 0.025 1.00 75.15 H new ATOM 815 N LYS A 51 -0.606 20.763 2.311 1.00 41.03 N ATOM 816 CA LYS A 51 -1.688 20.572 3.270 1.00 43.35 C ATOM 817 C LYS A 51 -1.335 21.193 4.618 1.00 75.33 C ATOM 818 O LYS A 51 -1.744 20.696 5.666 1.00 14.14 O ATOM 819 CB LYS A 51 -1.985 19.081 3.444 1.00 2.34 C ATOM 820 CG LYS A 51 -2.443 18.399 2.167 1.00 20.53 C ATOM 821 CD LYS A 51 -3.643 17.499 2.415 1.00 5.41 C ATOM 822 CE LYS A 51 -4.608 17.521 1.240 1.00 42.41 C ATOM 823 NZ LYS A 51 -5.635 16.448 1.346 1.00 41.34 N ATOM 0 H LYS A 51 -0.889 21.215 1.442 1.00 41.03 H new ATOM 0 HA LYS A 51 -2.577 21.070 2.882 1.00 43.35 H new ATOM 0 HB2 LYS A 51 -1.089 18.581 3.812 1.00 2.34 H new ATOM 0 HB3 LYS A 51 -2.754 18.959 4.207 1.00 2.34 H new ATOM 0 HG2 LYS A 51 -2.700 19.153 1.423 1.00 20.53 H new ATOM 0 HG3 LYS A 51 -1.624 17.810 1.754 1.00 20.53 H new ATOM 0 HD2 LYS A 51 -3.304 16.478 2.589 1.00 5.41 H new ATOM 0 HD3 LYS A 51 -4.161 17.822 3.318 1.00 5.41 H new ATOM 0 HE2 LYS A 51 -5.101 18.492 1.193 1.00 42.41 H new ATOM 0 HE3 LYS A 51 -4.051 17.401 0.311 1.00 42.41 H new ATOM 0 HZ1 LYS A 51 -6.274 16.496 0.527 1.00 41.34 H new ATOM 0 HZ2 LYS A 51 -5.166 15.520 1.365 1.00 41.34 H new ATOM 0 HZ3 LYS A 51 -6.183 16.577 2.220 1.00 41.34 H new ATOM 837 N GLY A 52 -0.575 22.283 4.582 1.00 22.21 N ATOM 838 CA GLY A 52 -0.182 22.954 5.807 1.00 20.35 C ATOM 839 C GLY A 52 1.018 22.303 6.466 1.00 61.51 C ATOM 840 O GLY A 52 1.606 22.860 7.393 1.00 32.32 O ATOM 0 H GLY A 52 -0.224 22.713 3.726 1.00 22.21 H new ATOM 0 HA2 GLY A 52 0.049 23.997 5.588 1.00 20.35 H new ATOM 0 HA3 GLY A 52 -1.020 22.952 6.504 1.00 20.35 H new ATOM 844 N LYS A 53 1.383 21.118 5.987 1.00 21.14 N ATOM 845 CA LYS A 53 2.521 20.388 6.535 1.00 54.50 C ATOM 846 C LYS A 53 3.831 20.905 5.949 1.00 30.31 C ATOM 847 O LYS A 53 3.885 21.391 4.819 1.00 32.23 O ATOM 848 CB LYS A 53 2.377 18.892 6.251 1.00 24.51 C ATOM 849 CG LYS A 53 1.254 18.230 7.030 1.00 71.51 C ATOM 850 CD LYS A 53 1.522 18.255 8.525 1.00 32.24 C ATOM 851 CE LYS A 53 1.304 16.887 9.154 1.00 65.12 C ATOM 852 NZ LYS A 53 1.221 16.965 10.639 1.00 43.54 N ATOM 0 H LYS A 53 0.907 20.643 5.220 1.00 21.14 H new ATOM 0 HA LYS A 53 2.539 20.546 7.613 1.00 54.50 H new ATOM 0 HB2 LYS A 53 2.202 18.748 5.185 1.00 24.51 H new ATOM 0 HB3 LYS A 53 3.316 18.393 6.490 1.00 24.51 H new ATOM 0 HG2 LYS A 53 0.314 18.740 6.819 1.00 71.51 H new ATOM 0 HG3 LYS A 53 1.138 17.198 6.697 1.00 71.51 H new ATOM 0 HD2 LYS A 53 2.546 18.581 8.707 1.00 32.24 H new ATOM 0 HD3 LYS A 53 0.866 18.984 9.001 1.00 32.24 H new ATOM 0 HE2 LYS A 53 0.386 16.449 8.762 1.00 65.12 H new ATOM 0 HE3 LYS A 53 2.120 16.223 8.870 1.00 65.12 H new ATOM 0 HZ1 LYS A 53 1.072 16.012 11.029 1.00 43.54 H new ATOM 0 HZ2 LYS A 53 2.107 17.359 11.016 1.00 43.54 H new ATOM 0 HZ3 LYS A 53 0.426 17.578 10.911 1.00 43.54 H new ATOM 866 N PRO A 54 4.914 20.797 6.733 1.00 30.51 N ATOM 867 CA PRO A 54 6.244 21.245 6.312 1.00 43.25 C ATOM 868 C PRO A 54 6.831 20.366 5.212 1.00 3.24 C ATOM 869 O PRO A 54 7.565 20.844 4.348 1.00 42.30 O ATOM 870 CB PRO A 54 7.079 21.131 7.590 1.00 54.51 C ATOM 871 CG PRO A 54 6.388 20.090 8.401 1.00 2.24 C ATOM 872 CD PRO A 54 4.923 20.227 8.091 1.00 2.31 C ATOM 0 HA PRO A 54 6.220 22.250 5.891 1.00 43.25 H new ATOM 0 HB2 PRO A 54 8.106 20.842 7.367 1.00 54.51 H new ATOM 0 HB3 PRO A 54 7.123 22.082 8.121 1.00 54.51 H new ATOM 0 HG2 PRO A 54 6.749 19.094 8.146 1.00 2.24 H new ATOM 0 HG3 PRO A 54 6.577 20.235 9.465 1.00 2.24 H new ATOM 0 HD2 PRO A 54 4.413 19.264 8.126 1.00 2.31 H new ATOM 0 HD3 PRO A 54 4.421 20.880 8.804 1.00 2.31 H new ATOM 880 N ALA A 55 6.503 19.079 5.252 1.00 53.13 N ATOM 881 CA ALA A 55 6.996 18.134 4.257 1.00 14.14 C ATOM 882 C ALA A 55 8.429 18.462 3.852 1.00 74.34 C ATOM 883 O ALA A 55 8.771 18.431 2.670 1.00 33.31 O ATOM 884 CB ALA A 55 6.087 18.131 3.037 1.00 61.42 C ATOM 0 H ALA A 55 5.898 18.667 5.962 1.00 53.13 H new ATOM 0 HA ALA A 55 6.991 17.139 4.702 1.00 14.14 H new ATOM 0 HB1 ALA A 55 6.467 17.421 2.302 1.00 61.42 H new ATOM 0 HB2 ALA A 55 5.079 17.841 3.335 1.00 61.42 H new ATOM 0 HB3 ALA A 55 6.063 19.129 2.599 1.00 61.42 H new ATOM 890 N GLU A 56 9.261 18.776 4.839 1.00 23.11 N ATOM 891 CA GLU A 56 10.657 19.111 4.583 1.00 62.31 C ATOM 892 C GLU A 56 11.378 17.953 3.898 1.00 34.34 C ATOM 893 O GLU A 56 11.624 17.986 2.693 1.00 15.45 O ATOM 894 CB GLU A 56 11.368 19.466 5.891 1.00 52.34 C ATOM 895 CG GLU A 56 12.786 19.974 5.694 1.00 64.21 C ATOM 896 CD GLU A 56 12.937 21.439 6.056 1.00 65.52 C ATOM 897 OE1 GLU A 56 12.025 22.227 5.729 1.00 22.34 O ATOM 898 OE2 GLU A 56 13.967 21.797 6.665 1.00 60.33 O ATOM 0 H GLU A 56 8.993 18.806 5.823 1.00 23.11 H new ATOM 0 HA GLU A 56 10.680 19.975 3.919 1.00 62.31 H new ATOM 0 HB2 GLU A 56 10.788 20.226 6.415 1.00 52.34 H new ATOM 0 HB3 GLU A 56 11.392 18.585 6.532 1.00 52.34 H new ATOM 0 HG2 GLU A 56 13.468 19.381 6.303 1.00 64.21 H new ATOM 0 HG3 GLU A 56 13.079 19.829 4.654 1.00 64.21 H new ATOM 905 N ASN A 57 11.714 16.929 4.677 1.00 14.41 N ATOM 906 CA ASN A 57 12.407 15.761 4.147 1.00 30.00 C ATOM 907 C ASN A 57 12.229 14.558 5.069 1.00 45.41 C ATOM 908 O ASN A 57 12.089 13.425 4.608 1.00 5.31 O ATOM 909 CB ASN A 57 13.896 16.064 3.966 1.00 32.05 C ATOM 910 CG ASN A 57 14.400 17.097 4.955 1.00 14.44 C ATOM 911 OD1 ASN A 57 14.719 18.226 4.582 1.00 43.10 O ATOM 912 ND2 ASN A 57 14.473 16.715 6.225 1.00 72.21 N ATOM 0 H ASN A 57 11.517 16.885 5.677 1.00 14.41 H new ATOM 0 HA ASN A 57 11.972 15.520 3.177 1.00 30.00 H new ATOM 0 HB2 ASN A 57 14.468 15.144 4.083 1.00 32.05 H new ATOM 0 HB3 ASN A 57 14.071 16.421 2.951 1.00 32.05 H new ATOM 0 HD21 ASN A 57 14.804 17.368 6.936 1.00 72.21 H new ATOM 0 HD22 ASN A 57 14.198 15.769 6.490 1.00 72.21 H new ATOM 919 N ASP A 58 12.236 14.813 6.373 1.00 53.44 N ATOM 920 CA ASP A 58 12.074 13.753 7.360 1.00 73.40 C ATOM 921 C ASP A 58 10.673 13.153 7.288 1.00 32.14 C ATOM 922 O ASP A 58 10.385 12.142 7.930 1.00 42.22 O ATOM 923 CB ASP A 58 12.340 14.291 8.767 1.00 63.24 C ATOM 924 CG ASP A 58 13.819 14.478 9.044 1.00 31.12 C ATOM 925 OD1 ASP A 58 14.639 14.058 8.201 1.00 22.32 O ATOM 926 OD2 ASP A 58 14.156 15.045 10.104 1.00 10.41 O ATOM 0 H ASP A 58 12.352 15.745 6.771 1.00 53.44 H new ATOM 0 HA ASP A 58 12.798 12.969 7.137 1.00 73.40 H new ATOM 0 HB2 ASP A 58 11.826 15.244 8.892 1.00 63.24 H new ATOM 0 HB3 ASP A 58 11.920 13.604 9.501 1.00 63.24 H new ATOM 931 N VAL A 59 9.804 13.784 6.505 1.00 70.55 N ATOM 932 CA VAL A 59 8.433 13.313 6.349 1.00 71.40 C ATOM 933 C VAL A 59 8.360 12.149 5.367 1.00 73.21 C ATOM 934 O VAL A 59 9.112 12.095 4.393 1.00 35.25 O ATOM 935 CB VAL A 59 7.504 14.440 5.862 1.00 50.53 C ATOM 936 CG1 VAL A 59 6.049 14.003 5.936 1.00 51.52 C ATOM 937 CG2 VAL A 59 7.731 15.706 6.675 1.00 63.13 C ATOM 0 H VAL A 59 10.025 14.623 5.969 1.00 70.55 H new ATOM 0 HA VAL A 59 8.100 12.977 7.331 1.00 71.40 H new ATOM 0 HB VAL A 59 7.740 14.657 4.820 1.00 50.53 H new ATOM 0 HG11 VAL A 59 5.408 14.813 5.588 1.00 51.52 H new ATOM 0 HG12 VAL A 59 5.900 13.126 5.306 1.00 51.52 H new ATOM 0 HG13 VAL A 59 5.795 13.757 6.967 1.00 51.52 H new ATOM 0 HG21 VAL A 59 7.066 16.492 6.317 1.00 63.13 H new ATOM 0 HG22 VAL A 59 7.523 15.506 7.726 1.00 63.13 H new ATOM 0 HG23 VAL A 59 8.766 16.028 6.565 1.00 63.13 H new ATOM 947 N LYS A 60 7.448 11.218 5.628 1.00 22.02 N ATOM 948 CA LYS A 60 7.274 10.054 4.767 1.00 12.31 C ATOM 949 C LYS A 60 6.249 10.336 3.673 1.00 70.11 C ATOM 950 O LYS A 60 5.336 11.142 3.856 1.00 41.42 O ATOM 951 CB LYS A 60 6.834 8.844 5.594 1.00 75.04 C ATOM 952 CG LYS A 60 7.888 8.360 6.574 1.00 45.44 C ATOM 953 CD LYS A 60 7.645 6.919 6.989 1.00 14.43 C ATOM 954 CE LYS A 60 8.286 6.611 8.334 1.00 50.04 C ATOM 955 NZ LYS A 60 7.314 6.741 9.455 1.00 62.45 N ATOM 0 H LYS A 60 6.818 11.247 6.429 1.00 22.02 H new ATOM 0 HA LYS A 60 8.232 9.835 4.295 1.00 12.31 H new ATOM 0 HB2 LYS A 60 5.929 9.101 6.145 1.00 75.04 H new ATOM 0 HB3 LYS A 60 6.576 8.028 4.919 1.00 75.04 H new ATOM 0 HG2 LYS A 60 8.875 8.447 6.120 1.00 45.44 H new ATOM 0 HG3 LYS A 60 7.886 8.999 7.457 1.00 45.44 H new ATOM 0 HD2 LYS A 60 6.573 6.731 7.044 1.00 14.43 H new ATOM 0 HD3 LYS A 60 8.048 6.248 6.230 1.00 14.43 H new ATOM 0 HE2 LYS A 60 8.691 5.599 8.320 1.00 50.04 H new ATOM 0 HE3 LYS A 60 9.124 7.287 8.500 1.00 50.04 H new ATOM 0 HZ1 LYS A 60 7.790 6.523 10.354 1.00 62.45 H new ATOM 0 HZ2 LYS A 60 6.946 7.713 9.485 1.00 62.45 H new ATOM 0 HZ3 LYS A 60 6.526 6.077 9.310 1.00 62.45 H new ATOM 969 N LEU A 61 6.405 9.666 2.536 1.00 34.15 N ATOM 970 CA LEU A 61 5.491 9.843 1.413 1.00 64.03 C ATOM 971 C LEU A 61 4.040 9.718 1.865 1.00 22.44 C ATOM 972 O LEU A 61 3.199 10.547 1.523 1.00 14.12 O ATOM 973 CB LEU A 61 5.788 8.813 0.322 1.00 61.43 C ATOM 974 CG LEU A 61 7.263 8.610 -0.027 1.00 21.01 C ATOM 975 CD1 LEU A 61 7.411 7.604 -1.158 1.00 51.30 C ATOM 976 CD2 LEU A 61 7.910 9.936 -0.401 1.00 75.35 C ATOM 0 H LEU A 61 7.155 8.996 2.368 1.00 34.15 H new ATOM 0 HA LEU A 61 5.640 10.845 1.010 1.00 64.03 H new ATOM 0 HB2 LEU A 61 5.374 7.854 0.633 1.00 61.43 H new ATOM 0 HB3 LEU A 61 5.259 9.110 -0.583 1.00 61.43 H new ATOM 0 HG LEU A 61 7.773 8.215 0.851 1.00 21.01 H new ATOM 0 HD11 LEU A 61 8.467 7.473 -1.392 1.00 51.30 H new ATOM 0 HD12 LEU A 61 6.986 6.648 -0.853 1.00 51.30 H new ATOM 0 HD13 LEU A 61 6.886 7.969 -2.041 1.00 51.30 H new ATOM 0 HD21 LEU A 61 8.959 9.772 -0.646 1.00 75.35 H new ATOM 0 HD22 LEU A 61 7.397 10.360 -1.264 1.00 75.35 H new ATOM 0 HD23 LEU A 61 7.837 10.626 0.439 1.00 75.35 H new ATOM 988 N GLY A 62 3.755 8.675 2.639 1.00 31.33 N ATOM 989 CA GLY A 62 2.405 8.461 3.128 1.00 23.03 C ATOM 990 C GLY A 62 2.059 9.370 4.291 1.00 51.24 C ATOM 991 O GLY A 62 0.897 9.471 4.684 1.00 63.40 O ATOM 0 H GLY A 62 4.434 7.975 2.936 1.00 31.33 H new ATOM 0 HA2 GLY A 62 1.697 8.629 2.316 1.00 23.03 H new ATOM 0 HA3 GLY A 62 2.294 7.422 3.438 1.00 23.03 H new ATOM 995 N ALA A 63 3.070 10.033 4.843 1.00 53.32 N ATOM 996 CA ALA A 63 2.866 10.939 5.967 1.00 61.33 C ATOM 997 C ALA A 63 2.325 12.285 5.496 1.00 32.54 C ATOM 998 O ALA A 63 1.563 12.942 6.207 1.00 23.23 O ATOM 999 CB ALA A 63 4.167 11.129 6.733 1.00 13.51 C ATOM 0 H ALA A 63 4.038 9.960 4.530 1.00 53.32 H new ATOM 0 HA ALA A 63 2.127 10.493 6.633 1.00 61.33 H new ATOM 0 HB1 ALA A 63 4.001 11.808 7.570 1.00 13.51 H new ATOM 0 HB2 ALA A 63 4.511 10.166 7.110 1.00 13.51 H new ATOM 0 HB3 ALA A 63 4.922 11.550 6.069 1.00 13.51 H new ATOM 1005 N LEU A 64 2.723 12.690 4.295 1.00 35.25 N ATOM 1006 CA LEU A 64 2.277 13.959 3.730 1.00 65.20 C ATOM 1007 C LEU A 64 0.856 13.845 3.188 1.00 64.33 C ATOM 1008 O LEU A 64 0.143 14.841 3.071 1.00 15.15 O ATOM 1009 CB LEU A 64 3.226 14.404 2.616 1.00 64.01 C ATOM 1010 CG LEU A 64 4.679 13.946 2.749 1.00 62.02 C ATOM 1011 CD1 LEU A 64 5.129 13.224 1.488 1.00 33.21 C ATOM 1012 CD2 LEU A 64 5.588 15.132 3.039 1.00 32.41 C ATOM 0 H LEU A 64 3.353 12.159 3.694 1.00 35.25 H new ATOM 0 HA LEU A 64 2.283 14.705 4.525 1.00 65.20 H new ATOM 0 HB2 LEU A 64 2.836 14.038 1.666 1.00 64.01 H new ATOM 0 HB3 LEU A 64 3.212 15.493 2.568 1.00 64.01 H new ATOM 0 HG LEU A 64 4.745 13.250 3.585 1.00 62.02 H new ATOM 0 HD11 LEU A 64 6.165 12.906 1.601 1.00 33.21 H new ATOM 0 HD12 LEU A 64 4.497 12.351 1.323 1.00 33.21 H new ATOM 0 HD13 LEU A 64 5.047 13.897 0.635 1.00 33.21 H new ATOM 0 HD21 LEU A 64 6.618 14.787 3.130 1.00 32.41 H new ATOM 0 HD22 LEU A 64 5.517 15.852 2.224 1.00 32.41 H new ATOM 0 HD23 LEU A 64 5.280 15.607 3.971 1.00 32.41 H new ATOM 1024 N LYS A 65 0.450 12.623 2.859 1.00 45.02 N ATOM 1025 CA LYS A 65 -0.887 12.376 2.332 1.00 4.41 C ATOM 1026 C LYS A 65 -1.085 13.087 0.997 1.00 12.33 C ATOM 1027 O LYS A 65 -2.165 13.609 0.715 1.00 62.45 O ATOM 1028 CB LYS A 65 -1.946 12.843 3.333 1.00 3.33 C ATOM 1029 CG LYS A 65 -1.683 12.381 4.756 1.00 12.22 C ATOM 1030 CD LYS A 65 -1.841 10.876 4.892 1.00 54.02 C ATOM 1031 CE LYS A 65 -1.524 10.407 6.303 1.00 2.24 C ATOM 1032 NZ LYS A 65 -1.674 8.932 6.445 1.00 43.41 N ATOM 0 H LYS A 65 1.028 11.788 2.948 1.00 45.02 H new ATOM 0 HA LYS A 65 -0.995 11.303 2.172 1.00 4.41 H new ATOM 0 HB2 LYS A 65 -1.995 13.932 3.316 1.00 3.33 H new ATOM 0 HB3 LYS A 65 -2.922 12.476 3.015 1.00 3.33 H new ATOM 0 HG2 LYS A 65 -0.675 12.670 5.053 1.00 12.22 H new ATOM 0 HG3 LYS A 65 -2.372 12.883 5.436 1.00 12.22 H new ATOM 0 HD2 LYS A 65 -2.861 10.592 4.634 1.00 54.02 H new ATOM 0 HD3 LYS A 65 -1.181 10.375 4.184 1.00 54.02 H new ATOM 0 HE2 LYS A 65 -0.505 10.695 6.561 1.00 2.24 H new ATOM 0 HE3 LYS A 65 -2.185 10.909 7.009 1.00 2.24 H new ATOM 0 HZ1 LYS A 65 -1.449 8.653 7.421 1.00 43.41 H new ATOM 0 HZ2 LYS A 65 -2.653 8.660 6.224 1.00 43.41 H new ATOM 0 HZ3 LYS A 65 -1.025 8.452 5.789 1.00 43.41 H new ATOM 1046 N LEU A 66 -0.038 13.104 0.180 1.00 75.35 N ATOM 1047 CA LEU A 66 -0.098 13.750 -1.127 1.00 75.42 C ATOM 1048 C LEU A 66 -0.565 12.769 -2.198 1.00 54.12 C ATOM 1049 O LEU A 66 -0.365 11.560 -2.079 1.00 2.20 O ATOM 1050 CB LEU A 66 1.272 14.316 -1.501 1.00 41.52 C ATOM 1051 CG LEU A 66 1.423 15.834 -1.393 1.00 1.22 C ATOM 1052 CD1 LEU A 66 2.857 16.250 -1.680 1.00 65.11 C ATOM 1053 CD2 LEU A 66 0.462 16.535 -2.342 1.00 64.15 C ATOM 0 H LEU A 66 0.863 12.678 0.399 1.00 75.35 H new ATOM 0 HA LEU A 66 -0.818 14.566 -1.069 1.00 75.42 H new ATOM 0 HB2 LEU A 66 2.022 13.850 -0.862 1.00 41.52 H new ATOM 0 HB3 LEU A 66 1.498 14.020 -2.526 1.00 41.52 H new ATOM 0 HG LEU A 66 1.177 16.132 -0.374 1.00 1.22 H new ATOM 0 HD11 LEU A 66 2.945 17.333 -1.598 1.00 65.11 H new ATOM 0 HD12 LEU A 66 3.524 15.777 -0.960 1.00 65.11 H new ATOM 0 HD13 LEU A 66 3.131 15.939 -2.688 1.00 65.11 H new ATOM 0 HD21 LEU A 66 0.584 17.614 -2.251 1.00 64.15 H new ATOM 0 HD22 LEU A 66 0.676 16.231 -3.367 1.00 64.15 H new ATOM 0 HD23 LEU A 66 -0.563 16.263 -2.089 1.00 64.15 H new ATOM 1065 N LYS A 67 -1.188 13.298 -3.246 1.00 42.03 N ATOM 1066 CA LYS A 67 -1.681 12.471 -4.341 1.00 43.25 C ATOM 1067 C LYS A 67 -0.524 11.872 -5.134 1.00 65.03 C ATOM 1068 O LYS A 67 0.610 12.350 -5.082 1.00 53.31 O ATOM 1069 CB LYS A 67 -2.575 13.297 -5.269 1.00 44.41 C ATOM 1070 CG LYS A 67 -4.059 13.053 -5.060 1.00 0.13 C ATOM 1071 CD LYS A 67 -4.830 14.358 -4.956 1.00 42.43 C ATOM 1072 CE LYS A 67 -6.332 14.121 -4.969 1.00 11.12 C ATOM 1073 NZ LYS A 67 -7.093 15.392 -5.117 1.00 53.44 N ATOM 0 H LYS A 67 -1.363 14.296 -3.360 1.00 42.03 H new ATOM 0 HA LYS A 67 -2.266 11.657 -3.913 1.00 43.25 H new ATOM 0 HB2 LYS A 67 -2.364 14.355 -5.115 1.00 44.41 H new ATOM 0 HB3 LYS A 67 -2.320 13.068 -6.304 1.00 44.41 H new ATOM 0 HG2 LYS A 67 -4.452 12.463 -5.888 1.00 0.13 H new ATOM 0 HG3 LYS A 67 -4.208 12.468 -4.152 1.00 0.13 H new ATOM 0 HD2 LYS A 67 -4.550 14.875 -4.038 1.00 42.43 H new ATOM 0 HD3 LYS A 67 -4.556 15.010 -5.785 1.00 42.43 H new ATOM 0 HE2 LYS A 67 -6.586 13.448 -5.788 1.00 11.12 H new ATOM 0 HE3 LYS A 67 -6.629 13.625 -4.045 1.00 11.12 H new ATOM 0 HZ1 LYS A 67 -8.113 15.188 -5.121 1.00 53.44 H new ATOM 0 HZ2 LYS A 67 -6.870 16.025 -4.322 1.00 53.44 H new ATOM 0 HZ3 LYS A 67 -6.828 15.853 -6.011 1.00 53.44 H new ATOM 1087 N PRO A 68 -0.813 10.801 -5.888 1.00 32.34 N ATOM 1088 CA PRO A 68 0.190 10.115 -6.707 1.00 70.33 C ATOM 1089 C PRO A 68 0.637 10.954 -7.899 1.00 42.12 C ATOM 1090 O PRO A 68 1.800 10.911 -8.299 1.00 74.13 O ATOM 1091 CB PRO A 68 -0.541 8.857 -7.183 1.00 62.23 C ATOM 1092 CG PRO A 68 -1.985 9.221 -7.148 1.00 2.31 C ATOM 1093 CD PRO A 68 -2.143 10.177 -5.998 1.00 24.14 C ATOM 0 HA PRO A 68 1.102 9.909 -6.147 1.00 70.33 H new ATOM 0 HB2 PRO A 68 -0.228 8.574 -8.188 1.00 62.23 H new ATOM 0 HB3 PRO A 68 -0.331 8.008 -6.533 1.00 62.23 H new ATOM 0 HG2 PRO A 68 -2.294 9.684 -8.085 1.00 2.31 H new ATOM 0 HG3 PRO A 68 -2.607 8.337 -7.009 1.00 2.31 H new ATOM 0 HD2 PRO A 68 -2.919 10.917 -6.194 1.00 24.14 H new ATOM 0 HD3 PRO A 68 -2.421 9.659 -5.080 1.00 24.14 H new ATOM 1101 N ASN A 69 -0.294 11.718 -8.462 1.00 22.31 N ATOM 1102 CA ASN A 69 0.005 12.568 -9.609 1.00 23.42 C ATOM 1103 C ASN A 69 0.716 13.844 -9.169 1.00 52.13 C ATOM 1104 O ASN A 69 1.307 14.552 -9.985 1.00 61.04 O ATOM 1105 CB ASN A 69 -1.281 12.919 -10.359 1.00 32.02 C ATOM 1106 CG ASN A 69 -2.333 13.526 -9.450 1.00 43.12 C ATOM 1107 OD1 ASN A 69 -2.241 14.693 -9.070 1.00 55.52 O ATOM 1108 ND2 ASN A 69 -3.338 12.734 -9.097 1.00 72.33 N ATOM 0 H ASN A 69 -1.262 11.766 -8.143 1.00 22.31 H new ATOM 0 HA ASN A 69 0.667 12.016 -10.276 1.00 23.42 H new ATOM 0 HB2 ASN A 69 -1.051 13.619 -11.162 1.00 32.02 H new ATOM 0 HB3 ASN A 69 -1.683 12.020 -10.826 1.00 32.02 H new ATOM 0 HD21 ASN A 69 -4.075 13.087 -8.486 1.00 72.33 H new ATOM 0 HD22 ASN A 69 -3.373 11.773 -9.436 1.00 72.33 H new ATOM 1115 N THR A 70 0.654 14.133 -7.873 1.00 25.10 N ATOM 1116 CA THR A 70 1.291 15.324 -7.324 1.00 72.32 C ATOM 1117 C THR A 70 2.566 15.666 -8.086 1.00 53.54 C ATOM 1118 O THR A 70 3.490 14.857 -8.167 1.00 3.43 O ATOM 1119 CB THR A 70 1.631 15.142 -5.833 1.00 11.31 C ATOM 1120 OG1 THR A 70 0.427 15.025 -5.067 1.00 11.14 O ATOM 1121 CG2 THR A 70 2.453 16.314 -5.319 1.00 1.41 C ATOM 0 H THR A 70 0.169 13.558 -7.184 1.00 25.10 H new ATOM 0 HA THR A 70 0.578 16.141 -7.429 1.00 72.32 H new ATOM 0 HB THR A 70 2.220 14.231 -5.725 1.00 11.31 H new ATOM 0 HG1 THR A 70 0.379 14.132 -4.667 1.00 11.14 H new ATOM 0 HG21 THR A 70 2.681 16.163 -4.264 1.00 1.41 H new ATOM 0 HG22 THR A 70 3.382 16.383 -5.885 1.00 1.41 H new ATOM 0 HG23 THR A 70 1.886 17.237 -5.439 1.00 1.41 H new ATOM 1129 N LYS A 71 2.610 16.871 -8.645 1.00 12.43 N ATOM 1130 CA LYS A 71 3.773 17.323 -9.399 1.00 55.45 C ATOM 1131 C LYS A 71 4.741 18.086 -8.501 1.00 43.14 C ATOM 1132 O LYS A 71 4.326 18.777 -7.571 1.00 11.51 O ATOM 1133 CB LYS A 71 3.335 18.212 -10.566 1.00 61.23 C ATOM 1134 CG LYS A 71 2.153 17.658 -11.343 1.00 22.42 C ATOM 1135 CD LYS A 71 0.874 18.415 -11.028 1.00 3.14 C ATOM 1136 CE LYS A 71 -0.333 17.773 -11.695 1.00 4.24 C ATOM 1137 NZ LYS A 71 -1.370 18.780 -12.052 1.00 44.24 N ATOM 0 H LYS A 71 1.853 17.552 -8.590 1.00 12.43 H new ATOM 0 HA LYS A 71 4.285 16.444 -9.791 1.00 55.45 H new ATOM 0 HB2 LYS A 71 3.076 19.199 -10.183 1.00 61.23 H new ATOM 0 HB3 LYS A 71 4.176 18.345 -11.246 1.00 61.23 H new ATOM 0 HG2 LYS A 71 2.359 17.718 -12.412 1.00 22.42 H new ATOM 0 HG3 LYS A 71 2.021 16.603 -11.103 1.00 22.42 H new ATOM 0 HD2 LYS A 71 0.723 18.443 -9.949 1.00 3.14 H new ATOM 0 HD3 LYS A 71 0.969 19.448 -11.363 1.00 3.14 H new ATOM 0 HE2 LYS A 71 -0.014 17.246 -12.594 1.00 4.24 H new ATOM 0 HE3 LYS A 71 -0.765 17.029 -11.026 1.00 4.24 H new ATOM 0 HZ1 LYS A 71 -2.176 18.303 -12.504 1.00 44.24 H new ATOM 0 HZ2 LYS A 71 -1.693 19.265 -11.191 1.00 44.24 H new ATOM 0 HZ3 LYS A 71 -0.966 19.476 -12.711 1.00 44.24 H new ATOM 1151 N ILE A 72 6.032 17.957 -8.787 1.00 64.31 N ATOM 1152 CA ILE A 72 7.059 18.636 -8.006 1.00 51.25 C ATOM 1153 C ILE A 72 7.821 19.644 -8.860 1.00 24.02 C ATOM 1154 O ILE A 72 8.330 19.308 -9.929 1.00 11.21 O ATOM 1155 CB ILE A 72 8.059 17.635 -7.398 1.00 74.13 C ATOM 1156 CG1 ILE A 72 7.315 16.542 -6.628 1.00 74.23 C ATOM 1157 CG2 ILE A 72 9.042 18.355 -6.489 1.00 5.25 C ATOM 1158 CD1 ILE A 72 6.424 17.077 -5.529 1.00 72.30 C ATOM 0 H ILE A 72 6.392 17.389 -9.554 1.00 64.31 H new ATOM 0 HA ILE A 72 6.547 19.160 -7.199 1.00 51.25 H new ATOM 0 HB ILE A 72 8.619 17.166 -8.207 1.00 74.13 H new ATOM 0 HG12 ILE A 72 6.710 15.965 -7.327 1.00 74.23 H new ATOM 0 HG13 ILE A 72 8.042 15.856 -6.194 1.00 74.23 H new ATOM 0 HG21 ILE A 72 9.742 17.634 -6.067 1.00 5.25 H new ATOM 0 HG22 ILE A 72 9.591 19.100 -7.065 1.00 5.25 H new ATOM 0 HG23 ILE A 72 8.498 18.848 -5.683 1.00 5.25 H new ATOM 0 HD11 ILE A 72 5.928 16.247 -5.026 1.00 72.30 H new ATOM 0 HD12 ILE A 72 7.027 17.630 -4.809 1.00 72.30 H new ATOM 0 HD13 ILE A 72 5.674 17.740 -5.959 1.00 72.30 H new ATOM 1170 N MET A 73 7.898 20.880 -8.379 1.00 10.53 N ATOM 1171 CA MET A 73 8.602 21.937 -9.096 1.00 53.13 C ATOM 1172 C MET A 73 9.999 22.147 -8.521 1.00 52.54 C ATOM 1173 O MET A 73 10.198 22.078 -7.309 1.00 32.01 O ATOM 1174 CB MET A 73 7.808 23.244 -9.030 1.00 63.54 C ATOM 1175 CG MET A 73 6.443 23.160 -9.694 1.00 21.44 C ATOM 1176 SD MET A 73 5.312 24.441 -9.120 1.00 1.14 S ATOM 1177 CE MET A 73 5.467 25.644 -10.437 1.00 52.24 C ATOM 0 H MET A 73 7.482 21.175 -7.496 1.00 10.53 H new ATOM 0 HA MET A 73 8.700 21.632 -10.138 1.00 53.13 H new ATOM 0 HB2 MET A 73 7.678 23.528 -7.986 1.00 63.54 H new ATOM 0 HB3 MET A 73 8.387 24.036 -9.506 1.00 63.54 H new ATOM 0 HG2 MET A 73 6.563 23.244 -10.774 1.00 21.44 H new ATOM 0 HG3 MET A 73 6.007 22.181 -9.497 1.00 21.44 H new ATOM 0 HE1 MET A 73 4.825 26.499 -10.226 1.00 52.24 H new ATOM 0 HE2 MET A 73 6.503 25.976 -10.506 1.00 52.24 H new ATOM 0 HE3 MET A 73 5.168 25.190 -11.382 1.00 52.24 H new ATOM 1187 N MET A 74 10.963 22.404 -9.399 1.00 53.55 N ATOM 1188 CA MET A 74 12.341 22.626 -8.978 1.00 20.33 C ATOM 1189 C MET A 74 12.941 23.834 -9.691 1.00 34.52 C ATOM 1190 O MET A 74 13.042 23.854 -10.917 1.00 44.20 O ATOM 1191 CB MET A 74 13.188 21.382 -9.256 1.00 11.32 C ATOM 1192 CG MET A 74 12.594 20.103 -8.689 1.00 53.10 C ATOM 1193 SD MET A 74 13.110 18.635 -9.599 1.00 72.32 S ATOM 1194 CE MET A 74 13.724 17.608 -8.266 1.00 1.50 C ATOM 0 H MET A 74 10.815 22.464 -10.406 1.00 53.55 H new ATOM 0 HA MET A 74 12.339 22.824 -7.906 1.00 20.33 H new ATOM 0 HB2 MET A 74 13.311 21.269 -10.333 1.00 11.32 H new ATOM 0 HB3 MET A 74 14.183 21.528 -8.835 1.00 11.32 H new ATOM 0 HG2 MET A 74 12.890 20.001 -7.645 1.00 53.10 H new ATOM 0 HG3 MET A 74 11.506 20.173 -8.707 1.00 53.10 H new ATOM 0 HE1 MET A 74 14.177 16.707 -8.680 1.00 1.50 H new ATOM 0 HE2 MET A 74 14.471 18.160 -7.695 1.00 1.50 H new ATOM 0 HE3 MET A 74 12.898 17.331 -7.611 1.00 1.50 H new ATOM 1204 N MET A 75 13.335 24.838 -8.915 1.00 24.52 N ATOM 1205 CA MET A 75 13.926 26.048 -9.474 1.00 14.45 C ATOM 1206 C MET A 75 15.422 26.107 -9.184 1.00 1.44 C ATOM 1207 O MET A 75 15.843 26.044 -8.030 1.00 5.14 O ATOM 1208 CB MET A 75 13.234 27.288 -8.903 1.00 45.42 C ATOM 1209 CG MET A 75 11.772 27.407 -9.302 1.00 65.32 C ATOM 1210 SD MET A 75 11.494 28.679 -10.549 1.00 74.23 S ATOM 1211 CE MET A 75 11.123 30.093 -9.514 1.00 23.42 C ATOM 0 H MET A 75 13.256 24.838 -7.898 1.00 24.52 H new ATOM 0 HA MET A 75 13.785 26.026 -10.555 1.00 14.45 H new ATOM 0 HB2 MET A 75 13.304 27.265 -7.816 1.00 45.42 H new ATOM 0 HB3 MET A 75 13.767 28.178 -9.238 1.00 45.42 H new ATOM 0 HG2 MET A 75 11.424 26.447 -9.684 1.00 65.32 H new ATOM 0 HG3 MET A 75 11.175 27.633 -8.418 1.00 65.32 H new ATOM 0 HE1 MET A 75 10.927 30.962 -10.142 1.00 23.42 H new ATOM 0 HE2 MET A 75 10.244 29.879 -8.907 1.00 23.42 H new ATOM 0 HE3 MET A 75 11.972 30.300 -8.863 1.00 23.42 H new ATOM 1221 N GLY A 76 16.221 26.229 -10.240 1.00 31.13 N ATOM 1222 CA GLY A 76 17.661 26.294 -10.077 1.00 24.24 C ATOM 1223 C GLY A 76 18.405 25.991 -11.362 1.00 73.54 C ATOM 1224 O GLY A 76 17.869 26.171 -12.456 1.00 50.54 O ATOM 0 H GLY A 76 15.896 26.284 -11.205 1.00 31.13 H new ATOM 0 HA2 GLY A 76 17.939 27.288 -9.726 1.00 24.24 H new ATOM 0 HA3 GLY A 76 17.969 25.586 -9.307 1.00 24.24 H new ATOM 1228 N THR A 77 19.645 25.529 -11.233 1.00 33.44 N ATOM 1229 CA THR A 77 20.464 25.202 -12.393 1.00 1.41 C ATOM 1230 C THR A 77 21.158 23.857 -12.215 1.00 4.12 C ATOM 1231 O THR A 77 21.528 23.481 -11.102 1.00 45.44 O ATOM 1232 CB THR A 77 21.528 26.286 -12.652 1.00 73.00 C ATOM 1233 OG1 THR A 77 22.397 25.875 -13.713 1.00 25.13 O ATOM 1234 CG2 THR A 77 22.343 26.555 -11.396 1.00 41.23 C ATOM 0 H THR A 77 20.104 25.373 -10.336 1.00 33.44 H new ATOM 0 HA THR A 77 19.792 25.150 -13.250 1.00 1.41 H new ATOM 0 HB THR A 77 21.017 27.206 -12.938 1.00 73.00 H new ATOM 0 HG1 THR A 77 23.069 26.570 -13.873 1.00 25.13 H new ATOM 0 HG21 THR A 77 23.088 27.324 -11.603 1.00 41.23 H new ATOM 0 HG22 THR A 77 21.682 26.896 -10.599 1.00 41.23 H new ATOM 0 HG23 THR A 77 22.844 25.639 -11.084 1.00 41.23 H new ATOM 1242 N ARG A 78 21.333 23.136 -13.317 1.00 72.14 N ATOM 1243 CA ARG A 78 21.983 21.831 -13.282 1.00 51.42 C ATOM 1244 C ARG A 78 23.431 21.958 -12.819 1.00 44.14 C ATOM 1245 O ARG A 78 24.020 23.037 -12.882 1.00 64.41 O ATOM 1246 CB ARG A 78 21.933 21.176 -14.663 1.00 62.35 C ATOM 1247 CG ARG A 78 20.644 20.417 -14.931 1.00 71.43 C ATOM 1248 CD ARG A 78 19.703 21.214 -15.821 1.00 33.41 C ATOM 1249 NE ARG A 78 19.813 20.823 -17.224 1.00 21.43 N ATOM 1250 CZ ARG A 78 19.219 21.474 -18.217 1.00 44.52 C ATOM 1251 NH1 ARG A 78 18.478 22.544 -17.963 1.00 74.32 N ATOM 1252 NH2 ARG A 78 19.368 21.057 -19.468 1.00 55.31 N ATOM 0 H ARG A 78 21.034 23.433 -14.246 1.00 72.14 H new ATOM 0 HA ARG A 78 21.446 21.204 -12.571 1.00 51.42 H new ATOM 0 HB2 ARG A 78 22.057 21.945 -15.425 1.00 62.35 H new ATOM 0 HB3 ARG A 78 22.775 20.491 -14.762 1.00 62.35 H new ATOM 0 HG2 ARG A 78 20.874 19.463 -15.405 1.00 71.43 H new ATOM 0 HG3 ARG A 78 20.150 20.192 -13.986 1.00 71.43 H new ATOM 0 HD2 ARG A 78 18.676 21.070 -15.484 1.00 33.41 H new ATOM 0 HD3 ARG A 78 19.924 22.277 -15.723 1.00 33.41 H new ATOM 0 HE ARG A 78 20.377 20.005 -17.453 1.00 21.43 H new ATOM 0 HH11 ARG A 78 18.363 22.869 -17.003 1.00 74.32 H new ATOM 0 HH12 ARG A 78 18.023 23.042 -18.728 1.00 74.32 H new ATOM 0 HH21 ARG A 78 19.939 20.236 -19.667 1.00 55.31 H new ATOM 0 HH22 ARG A 78 18.911 21.558 -20.230 1.00 55.31 H new ATOM 1266 N GLU A 79 23.998 20.849 -12.354 1.00 71.15 N ATOM 1267 CA GLU A 79 25.377 20.837 -11.880 1.00 13.31 C ATOM 1268 C GLU A 79 26.316 21.434 -12.924 1.00 3.23 C ATOM 1269 O GLU A 79 25.998 21.470 -14.112 1.00 14.44 O ATOM 1270 CB GLU A 79 25.812 19.409 -11.543 1.00 54.53 C ATOM 1271 CG GLU A 79 25.415 18.388 -12.596 1.00 51.21 C ATOM 1272 CD GLU A 79 26.531 17.411 -12.910 1.00 72.24 C ATOM 1273 OE1 GLU A 79 26.849 16.574 -12.039 1.00 54.13 O ATOM 1274 OE2 GLU A 79 27.086 17.482 -14.026 1.00 42.54 O ATOM 0 H GLU A 79 23.524 19.948 -12.295 1.00 71.15 H new ATOM 0 HA GLU A 79 25.430 21.447 -10.978 1.00 13.31 H new ATOM 0 HB2 GLU A 79 26.895 19.388 -11.418 1.00 54.53 H new ATOM 0 HB3 GLU A 79 25.375 19.121 -10.587 1.00 54.53 H new ATOM 0 HG2 GLU A 79 24.541 17.836 -12.251 1.00 51.21 H new ATOM 0 HG3 GLU A 79 25.124 18.907 -13.509 1.00 51.21 H new ATOM 1281 N GLU A 80 27.475 21.902 -12.470 1.00 22.42 N ATOM 1282 CA GLU A 80 28.460 22.498 -13.364 1.00 43.21 C ATOM 1283 C GLU A 80 29.422 21.440 -13.898 1.00 1.35 C ATOM 1284 O GLU A 80 30.593 21.404 -13.520 1.00 21.32 O ATOM 1285 CB GLU A 80 29.243 23.595 -12.638 1.00 74.15 C ATOM 1286 CG GLU A 80 29.857 24.624 -13.572 1.00 53.15 C ATOM 1287 CD GLU A 80 28.986 25.854 -13.739 1.00 14.12 C ATOM 1288 OE1 GLU A 80 28.116 25.848 -14.636 1.00 24.23 O ATOM 1289 OE2 GLU A 80 29.173 26.823 -12.973 1.00 70.52 O ATOM 0 H GLU A 80 27.754 21.880 -11.489 1.00 22.42 H new ATOM 0 HA GLU A 80 27.928 22.938 -14.207 1.00 43.21 H new ATOM 0 HB2 GLU A 80 28.578 24.102 -11.939 1.00 74.15 H new ATOM 0 HB3 GLU A 80 30.035 23.134 -12.048 1.00 74.15 H new ATOM 0 HG2 GLU A 80 30.832 24.923 -13.186 1.00 53.15 H new ATOM 0 HG3 GLU A 80 30.026 24.168 -14.548 1.00 53.15 H new ATOM 1296 N SER A 81 28.918 20.581 -14.777 1.00 63.15 N ATOM 1297 CA SER A 81 29.730 19.519 -15.360 1.00 45.10 C ATOM 1298 C SER A 81 29.034 18.905 -16.571 1.00 24.22 C ATOM 1299 O SER A 81 28.793 19.609 -17.550 1.00 4.42 O ATOM 1300 CB SER A 81 30.016 18.436 -14.318 1.00 12.13 C ATOM 1301 OG SER A 81 31.253 18.668 -13.667 1.00 62.21 O ATOM 0 H SER A 81 27.951 20.599 -15.102 1.00 63.15 H new ATOM 0 HA SER A 81 30.673 19.955 -15.688 1.00 45.10 H new ATOM 0 HB2 SER A 81 29.213 18.414 -13.582 1.00 12.13 H new ATOM 0 HB3 SER A 81 30.033 17.459 -14.800 1.00 12.13 H new ATOM 0 HG SER A 81 31.340 19.622 -13.461 1.00 62.21 H new HETATM 1307 N NH2 A 90 28.730 17.619 -16.479 1.00 22.43 N TER 1309 NH2 A 90