USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=15 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 33 LYS NZ :NH3+ -117:sc= 0.744 (180deg=-2.36!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.891 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0.00053 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.41) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 53:sc= 0.0589 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 53:sc= 0.429 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.998) USER MOD Single : A 30 GLN : amide:sc= -0.689 X(o=-0.69,f=-0.81) USER MOD Single : A 43 GLN : amide:sc= -4.24! C(o=-4.2!,f=-8.7!) 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= -1.38 K(o=-1.4,f=-8!) USER MOD Single : A 60 LYS NZ :NH3+ -175:sc= 0.138 (180deg=0.13) 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= -0.119 X(o=-0.12,f=-0.34) USER MOD Single : A 70 THR OG1 : rot -60:sc= -1.69! 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= -1.17 (180deg=-1.25) USER MOD Single : A 75 MET CE :methyl -148:sc= -0.178 (180deg=-0.859) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 4.425 1.403 -2.805 1.00 73.33 N ATOM 19 CA ALA A 2 5.169 2.588 -3.214 1.00 34.22 C ATOM 20 C ALA A 2 4.225 3.716 -3.616 1.00 43.35 C ATOM 21 O ALA A 2 3.145 3.474 -4.156 1.00 32.53 O ATOM 22 CB ALA A 2 6.111 2.250 -4.360 1.00 13.41 C ATOM 0 HA ALA A 2 5.759 2.929 -2.363 1.00 34.22 H new ATOM 0 HB1 ALA A 2 6.660 3.144 -4.655 1.00 13.41 H new ATOM 0 HB2 ALA A 2 6.814 1.482 -4.038 1.00 13.41 H new ATOM 0 HB3 ALA A 2 5.534 1.882 -5.208 1.00 13.41 H new ATOM 28 N LEU A 3 4.640 4.950 -3.351 1.00 54.21 N ATOM 29 CA LEU A 3 3.831 6.117 -3.685 1.00 52.44 C ATOM 30 C LEU A 3 4.471 6.918 -4.815 1.00 74.44 C ATOM 31 O LEU A 3 5.490 7.585 -4.637 1.00 32.21 O ATOM 32 CB LEU A 3 3.650 7.007 -2.454 1.00 60.21 C ATOM 33 CG LEU A 3 2.257 7.006 -1.824 1.00 73.03 C ATOM 34 CD1 LEU A 3 2.239 7.859 -0.565 1.00 65.03 C ATOM 35 CD2 LEU A 3 1.220 7.503 -2.822 1.00 23.14 C ATOM 0 H LEU A 3 5.532 5.168 -2.906 1.00 54.21 H new ATOM 0 HA LEU A 3 2.854 5.767 -4.019 1.00 52.44 H new ATOM 0 HB2 LEU A 3 4.370 6.696 -1.697 1.00 60.21 H new ATOM 0 HB3 LEU A 3 3.901 8.031 -2.731 1.00 60.21 H new ATOM 0 HG LEU A 3 2.005 5.982 -1.548 1.00 73.03 H new ATOM 0 HD11 LEU A 3 1.239 7.846 -0.131 1.00 65.03 H new ATOM 0 HD12 LEU A 3 2.953 7.459 0.155 1.00 65.03 H new ATOM 0 HD13 LEU A 3 2.512 8.884 -0.816 1.00 65.03 H new ATOM 0 HD21 LEU A 3 0.234 7.496 -2.357 1.00 23.14 H new ATOM 0 HD22 LEU A 3 1.469 8.519 -3.129 1.00 23.14 H new ATOM 0 HD23 LEU A 3 1.214 6.851 -3.695 1.00 23.14 H new ATOM 47 N PRO A 4 3.858 6.853 -6.007 1.00 64.31 N ATOM 48 CA PRO A 4 4.349 7.567 -7.189 1.00 43.41 C ATOM 49 C PRO A 4 4.170 9.077 -7.070 1.00 24.04 C ATOM 50 O PRO A 4 3.307 9.552 -6.331 1.00 42.43 O ATOM 51 CB PRO A 4 3.483 7.014 -8.323 1.00 53.33 C ATOM 52 CG PRO A 4 2.230 6.560 -7.656 1.00 44.12 C ATOM 53 CD PRO A 4 2.640 6.077 -6.292 1.00 54.12 C ATOM 0 HA PRO A 4 5.418 7.418 -7.340 1.00 43.41 H new ATOM 0 HB2 PRO A 4 3.278 7.778 -9.073 1.00 53.33 H new ATOM 0 HB3 PRO A 4 3.980 6.190 -8.835 1.00 53.33 H new ATOM 0 HG2 PRO A 4 1.510 7.375 -7.582 1.00 44.12 H new ATOM 0 HG3 PRO A 4 1.752 5.763 -8.225 1.00 44.12 H new ATOM 0 HD2 PRO A 4 1.863 6.262 -5.550 1.00 54.12 H new ATOM 0 HD3 PRO A 4 2.836 5.005 -6.288 1.00 54.12 H new ATOM 61 N ILE A 5 4.990 9.825 -7.800 1.00 65.11 N ATOM 62 CA ILE A 5 4.921 11.281 -7.776 1.00 72.33 C ATOM 63 C ILE A 5 5.380 11.875 -9.104 1.00 35.33 C ATOM 64 O ILE A 5 6.358 11.417 -9.695 1.00 4.55 O ATOM 65 CB ILE A 5 5.780 11.867 -6.640 1.00 73.13 C ATOM 66 CG1 ILE A 5 5.343 11.291 -5.292 1.00 13.02 C ATOM 67 CG2 ILE A 5 5.681 13.385 -6.631 1.00 51.11 C ATOM 68 CD1 ILE A 5 5.974 11.985 -4.105 1.00 52.22 C ATOM 0 H ILE A 5 5.710 9.447 -8.416 1.00 65.11 H new ATOM 0 HA ILE A 5 3.877 11.545 -7.604 1.00 72.33 H new ATOM 0 HB ILE A 5 6.821 11.591 -6.811 1.00 73.13 H new ATOM 0 HG12 ILE A 5 4.258 11.362 -5.210 1.00 13.02 H new ATOM 0 HG13 ILE A 5 5.596 10.231 -5.260 1.00 13.02 H new ATOM 0 HG21 ILE A 5 6.293 13.785 -5.823 1.00 51.11 H new ATOM 0 HG22 ILE A 5 6.036 13.778 -7.584 1.00 51.11 H new ATOM 0 HG23 ILE A 5 4.643 13.681 -6.480 1.00 51.11 H new ATOM 0 HD11 ILE A 5 5.619 11.524 -3.183 1.00 52.22 H new ATOM 0 HD12 ILE A 5 7.058 11.891 -4.163 1.00 52.22 H new ATOM 0 HD13 ILE A 5 5.700 13.040 -4.112 1.00 52.22 H new ATOM 80 N ILE A 6 4.667 12.897 -9.566 1.00 21.40 N ATOM 81 CA ILE A 6 5.003 13.555 -10.822 1.00 50.21 C ATOM 82 C ILE A 6 5.880 14.780 -10.583 1.00 72.24 C ATOM 83 O ILE A 6 5.675 15.527 -9.626 1.00 72.44 O ATOM 84 CB ILE A 6 3.738 13.985 -11.588 1.00 60.13 C ATOM 85 CG1 ILE A 6 3.096 12.777 -12.274 1.00 40.45 C ATOM 86 CG2 ILE A 6 4.077 15.062 -12.608 1.00 13.22 C ATOM 87 CD1 ILE A 6 1.584 12.814 -12.271 1.00 32.44 C ATOM 0 H ILE A 6 3.854 13.287 -9.089 1.00 21.40 H new ATOM 0 HA ILE A 6 5.552 12.829 -11.422 1.00 50.21 H new ATOM 0 HB ILE A 6 3.023 14.398 -10.877 1.00 60.13 H new ATOM 0 HG12 ILE A 6 3.448 12.725 -13.304 1.00 40.45 H new ATOM 0 HG13 ILE A 6 3.430 11.867 -11.776 1.00 40.45 H new ATOM 0 HG21 ILE A 6 3.173 15.356 -13.141 1.00 13.22 H new ATOM 0 HG22 ILE A 6 4.494 15.929 -12.096 1.00 13.22 H new ATOM 0 HG23 ILE A 6 4.807 14.674 -13.318 1.00 13.22 H new ATOM 0 HD11 ILE A 6 1.197 11.927 -12.774 1.00 32.44 H new ATOM 0 HD12 ILE A 6 1.223 12.835 -11.243 1.00 32.44 H new ATOM 0 HD13 ILE A 6 1.241 13.706 -12.794 1.00 32.44 H new ATOM 99 N VAL A 7 6.857 14.981 -11.462 1.00 2.35 N ATOM 100 CA VAL A 7 7.764 16.117 -11.349 1.00 2.34 C ATOM 101 C VAL A 7 7.808 16.917 -12.646 1.00 34.11 C ATOM 102 O VAL A 7 8.114 16.379 -13.710 1.00 62.01 O ATOM 103 CB VAL A 7 9.192 15.662 -10.991 1.00 15.53 C ATOM 104 CG1 VAL A 7 9.737 14.726 -12.058 1.00 30.43 C ATOM 105 CG2 VAL A 7 10.104 16.866 -10.809 1.00 40.13 C ATOM 0 H VAL A 7 7.040 14.372 -12.260 1.00 2.35 H new ATOM 0 HA VAL A 7 7.380 16.749 -10.548 1.00 2.34 H new ATOM 0 HB VAL A 7 9.156 15.117 -10.048 1.00 15.53 H new ATOM 0 HG11 VAL A 7 10.746 14.415 -11.788 1.00 30.43 H new ATOM 0 HG12 VAL A 7 9.095 13.848 -12.134 1.00 30.43 H new ATOM 0 HG13 VAL A 7 9.761 15.243 -13.017 1.00 30.43 H new ATOM 0 HG21 VAL A 7 11.109 16.527 -10.557 1.00 40.13 H new ATOM 0 HG22 VAL A 7 10.137 17.441 -11.735 1.00 40.13 H new ATOM 0 HG23 VAL A 7 9.721 17.495 -10.005 1.00 40.13 H new ATOM 115 N LYS A 8 7.499 18.206 -12.551 1.00 21.34 N ATOM 116 CA LYS A 8 7.504 19.082 -13.716 1.00 1.43 C ATOM 117 C LYS A 8 8.691 20.039 -13.671 1.00 40.44 C ATOM 118 O LYS A 8 8.801 20.865 -12.765 1.00 21.44 O ATOM 119 CB LYS A 8 6.198 19.876 -13.788 1.00 13.20 C ATOM 120 CG LYS A 8 5.961 20.769 -12.582 1.00 72.40 C ATOM 121 CD LYS A 8 4.478 20.933 -12.293 1.00 22.25 C ATOM 122 CE LYS A 8 3.812 21.854 -13.302 1.00 52.54 C ATOM 123 NZ LYS A 8 3.546 23.204 -12.731 1.00 71.30 N ATOM 0 H LYS A 8 7.242 18.667 -11.678 1.00 21.34 H new ATOM 0 HA LYS A 8 7.594 18.460 -14.607 1.00 1.43 H new ATOM 0 HB2 LYS A 8 6.205 20.490 -14.688 1.00 13.20 H new ATOM 0 HB3 LYS A 8 5.364 19.180 -13.884 1.00 13.20 H new ATOM 0 HG2 LYS A 8 6.458 20.344 -11.710 1.00 72.40 H new ATOM 0 HG3 LYS A 8 6.409 21.747 -12.759 1.00 72.40 H new ATOM 0 HD2 LYS A 8 3.992 19.957 -12.313 1.00 22.25 H new ATOM 0 HD3 LYS A 8 4.344 21.335 -11.289 1.00 22.25 H new ATOM 0 HE2 LYS A 8 4.449 21.951 -14.181 1.00 52.54 H new ATOM 0 HE3 LYS A 8 2.874 21.410 -13.635 1.00 52.54 H new ATOM 0 HZ1 LYS A 8 3.091 23.802 -13.450 1.00 71.30 H new ATOM 0 HZ2 LYS A 8 2.917 23.115 -11.907 1.00 71.30 H new ATOM 0 HZ3 LYS A 8 4.443 23.639 -12.436 1.00 71.30 H new ATOM 137 N TRP A 9 9.575 19.924 -14.656 1.00 12.11 N ATOM 138 CA TRP A 9 10.753 20.781 -14.729 1.00 70.12 C ATOM 139 C TRP A 9 10.756 21.593 -16.020 1.00 21.22 C ATOM 140 O TRP A 9 11.088 21.078 -17.087 1.00 13.40 O ATOM 141 CB TRP A 9 12.027 19.940 -14.638 1.00 61.43 C ATOM 142 CG TRP A 9 13.239 20.638 -15.176 1.00 64.45 C ATOM 143 CD1 TRP A 9 14.060 20.201 -16.177 1.00 54.24 C ATOM 144 CD2 TRP A 9 13.769 21.895 -14.741 1.00 34.52 C ATOM 145 NE1 TRP A 9 15.067 21.111 -16.390 1.00 52.23 N ATOM 146 CE2 TRP A 9 14.910 22.159 -15.522 1.00 42.34 C ATOM 147 CE3 TRP A 9 13.388 22.823 -13.768 1.00 41.13 C ATOM 148 CZ2 TRP A 9 15.673 23.313 -15.359 1.00 31.44 C ATOM 149 CZ3 TRP A 9 14.146 23.967 -13.607 1.00 3.12 C ATOM 150 CH2 TRP A 9 15.277 24.204 -14.399 1.00 5.40 C ATOM 0 H TRP A 9 9.498 19.246 -15.414 1.00 12.11 H new ATOM 0 HA TRP A 9 10.722 21.472 -13.887 1.00 70.12 H new ATOM 0 HB2 TRP A 9 12.203 19.672 -13.596 1.00 61.43 H new ATOM 0 HB3 TRP A 9 11.879 19.009 -15.186 1.00 61.43 H new ATOM 0 HD1 TRP A 9 13.936 19.276 -16.721 1.00 54.24 H new ATOM 0 HE1 TRP A 9 15.811 21.021 -17.082 1.00 52.23 H new ATOM 0 HE3 TRP A 9 12.517 22.649 -13.153 1.00 41.13 H new ATOM 0 HZ2 TRP A 9 16.545 23.498 -15.968 1.00 31.44 H new ATOM 0 HZ3 TRP A 9 13.862 24.691 -12.858 1.00 3.12 H new ATOM 0 HH2 TRP A 9 15.848 25.108 -14.249 1.00 5.40 H new ATOM 161 N GLY A 10 10.385 22.865 -15.915 1.00 13.24 N ATOM 162 CA GLY A 10 10.352 23.727 -17.082 1.00 1.35 C ATOM 163 C GLY A 10 8.970 23.818 -17.697 1.00 51.00 C ATOM 164 O GLY A 10 8.225 24.760 -17.431 1.00 34.25 O ATOM 0 H GLY A 10 10.107 23.314 -15.043 1.00 13.24 H new ATOM 0 HA2 GLY A 10 10.688 24.725 -16.802 1.00 1.35 H new ATOM 0 HA3 GLY A 10 11.054 23.352 -17.827 1.00 1.35 H new ATOM 168 N GLY A 11 8.627 22.836 -18.525 1.00 73.12 N ATOM 169 CA GLY A 11 7.326 22.829 -19.169 1.00 20.11 C ATOM 170 C GLY A 11 6.849 21.428 -19.496 1.00 73.03 C ATOM 171 O GLY A 11 5.977 21.246 -20.345 1.00 73.23 O ATOM 0 H GLY A 11 9.226 22.045 -18.761 1.00 73.12 H new ATOM 0 HA2 GLY A 11 6.599 23.314 -18.518 1.00 20.11 H new ATOM 0 HA3 GLY A 11 7.375 23.416 -20.086 1.00 20.11 H new ATOM 175 N GLN A 12 7.423 20.436 -18.823 1.00 13.44 N ATOM 176 CA GLN A 12 7.052 19.045 -19.049 1.00 34.40 C ATOM 177 C GLN A 12 6.712 18.351 -17.734 1.00 13.01 C ATOM 178 O GLN A 12 6.844 18.938 -16.660 1.00 73.34 O ATOM 179 CB GLN A 12 8.187 18.300 -19.753 1.00 42.02 C ATOM 180 CG GLN A 12 8.205 18.503 -21.260 1.00 22.53 C ATOM 181 CD GLN A 12 6.999 17.892 -21.945 1.00 54.21 C ATOM 182 OE1 GLN A 12 5.976 18.552 -22.131 1.00 51.42 O ATOM 183 NE2 GLN A 12 7.111 16.625 -22.325 1.00 64.21 N ATOM 0 H GLN A 12 8.147 20.570 -18.117 1.00 13.44 H new ATOM 0 HA GLN A 12 6.167 19.031 -19.686 1.00 34.40 H new ATOM 0 HB2 GLN A 12 9.139 18.631 -19.339 1.00 42.02 H new ATOM 0 HB3 GLN A 12 8.099 17.235 -19.539 1.00 42.02 H new ATOM 0 HG2 GLN A 12 8.240 19.570 -21.479 1.00 22.53 H new ATOM 0 HG3 GLN A 12 9.113 18.063 -21.671 1.00 22.53 H new ATOM 0 HE21 GLN A 12 7.977 16.115 -22.151 1.00 64.21 H new ATOM 0 HE22 GLN A 12 6.331 16.161 -22.791 1.00 64.21 H new ATOM 192 N GLU A 13 6.273 17.099 -17.827 1.00 2.55 N ATOM 193 CA GLU A 13 5.913 16.327 -16.643 1.00 42.31 C ATOM 194 C GLU A 13 6.530 14.932 -16.695 1.00 51.44 C ATOM 195 O GLU A 13 6.600 14.312 -17.757 1.00 13.04 O ATOM 196 CB GLU A 13 4.392 16.220 -16.520 1.00 72.02 C ATOM 197 CG GLU A 13 3.709 17.548 -16.238 1.00 72.42 C ATOM 198 CD GLU A 13 2.208 17.409 -16.077 1.00 35.32 C ATOM 199 OE1 GLU A 13 1.754 16.326 -15.653 1.00 35.44 O ATOM 200 OE2 GLU A 13 1.487 18.384 -16.375 1.00 13.12 O ATOM 0 H GLU A 13 6.158 16.599 -18.708 1.00 2.55 H new ATOM 0 HA GLU A 13 6.305 16.846 -15.769 1.00 42.31 H new ATOM 0 HB2 GLU A 13 3.990 15.803 -17.443 1.00 72.02 H new ATOM 0 HB3 GLU A 13 4.149 15.519 -15.721 1.00 72.02 H new ATOM 0 HG2 GLU A 13 4.129 17.983 -15.331 1.00 72.42 H new ATOM 0 HG3 GLU A 13 3.921 18.241 -17.052 1.00 72.42 H new ATOM 207 N TYR A 14 6.976 14.446 -15.543 1.00 3.03 N ATOM 208 CA TYR A 14 7.590 13.126 -15.456 1.00 50.25 C ATOM 209 C TYR A 14 7.113 12.384 -14.212 1.00 4.14 C ATOM 210 O TYR A 14 7.336 12.830 -13.086 1.00 62.21 O ATOM 211 CB TYR A 14 9.114 13.250 -15.438 1.00 25.12 C ATOM 212 CG TYR A 14 9.683 13.919 -16.669 1.00 11.02 C ATOM 213 CD1 TYR A 14 9.624 15.299 -16.823 1.00 60.30 C ATOM 214 CD2 TYR A 14 10.278 13.172 -17.678 1.00 33.01 C ATOM 215 CE1 TYR A 14 10.141 15.915 -17.946 1.00 63.43 C ATOM 216 CE2 TYR A 14 10.799 13.779 -18.804 1.00 11.42 C ATOM 217 CZ TYR A 14 10.728 15.151 -18.933 1.00 62.25 C ATOM 218 OH TYR A 14 11.245 15.759 -20.054 1.00 51.52 O ATOM 0 H TYR A 14 6.924 14.946 -14.656 1.00 3.03 H new ATOM 0 HA TYR A 14 7.289 12.555 -16.334 1.00 50.25 H new ATOM 0 HB2 TYR A 14 9.413 13.816 -14.556 1.00 25.12 H new ATOM 0 HB3 TYR A 14 9.550 12.256 -15.341 1.00 25.12 H new ATOM 0 HD1 TYR A 14 9.166 15.900 -16.051 1.00 60.30 H new ATOM 0 HD2 TYR A 14 10.334 12.098 -17.580 1.00 33.01 H new ATOM 0 HE1 TYR A 14 10.086 16.989 -18.051 1.00 63.43 H new ATOM 0 HE2 TYR A 14 11.259 13.183 -19.579 1.00 11.42 H new ATOM 0 HH TYR A 14 11.623 15.079 -20.650 1.00 51.52 H new ATOM 228 N SER A 15 6.456 11.248 -14.423 1.00 44.22 N ATOM 229 CA SER A 15 5.945 10.444 -13.320 1.00 12.15 C ATOM 230 C SER A 15 7.040 9.552 -12.744 1.00 5.35 C ATOM 231 O SER A 15 7.797 8.923 -13.483 1.00 22.42 O ATOM 232 CB SER A 15 4.768 9.587 -13.788 1.00 75.32 C ATOM 233 OG SER A 15 5.117 8.819 -14.927 1.00 23.23 O ATOM 0 H SER A 15 6.265 10.864 -15.348 1.00 44.22 H new ATOM 0 HA SER A 15 5.604 11.122 -12.538 1.00 12.15 H new ATOM 0 HB2 SER A 15 4.453 8.925 -12.982 1.00 75.32 H new ATOM 0 HB3 SER A 15 3.919 10.228 -14.024 1.00 75.32 H new ATOM 0 HG SER A 15 4.348 8.279 -15.205 1.00 23.23 H new ATOM 239 N VAL A 16 7.119 9.504 -11.417 1.00 63.05 N ATOM 240 CA VAL A 16 8.121 8.689 -10.740 1.00 40.23 C ATOM 241 C VAL A 16 7.560 7.319 -10.375 1.00 41.44 C ATOM 242 O VAL A 16 6.479 7.213 -9.794 1.00 64.35 O ATOM 243 CB VAL A 16 8.635 9.378 -9.462 1.00 53.53 C ATOM 244 CG1 VAL A 16 9.678 8.514 -8.772 1.00 24.12 C ATOM 245 CG2 VAL A 16 9.200 10.752 -9.789 1.00 1.40 C ATOM 0 H VAL A 16 6.501 10.020 -10.790 1.00 63.05 H new ATOM 0 HA VAL A 16 8.951 8.565 -11.436 1.00 40.23 H new ATOM 0 HB VAL A 16 7.797 9.508 -8.778 1.00 53.53 H new ATOM 0 HG11 VAL A 16 10.029 9.017 -7.871 1.00 24.12 H new ATOM 0 HG12 VAL A 16 9.236 7.555 -8.503 1.00 24.12 H new ATOM 0 HG13 VAL A 16 10.518 8.349 -9.447 1.00 24.12 H new ATOM 0 HG21 VAL A 16 9.559 11.225 -8.875 1.00 1.40 H new ATOM 0 HG22 VAL A 16 10.026 10.648 -10.492 1.00 1.40 H new ATOM 0 HG23 VAL A 16 8.420 11.369 -10.235 1.00 1.40 H new ATOM 255 N THR A 17 8.302 6.271 -10.720 1.00 11.24 N ATOM 256 CA THR A 17 7.879 4.907 -10.429 1.00 40.12 C ATOM 257 C THR A 17 9.072 4.024 -10.083 1.00 30.42 C ATOM 258 O THR A 17 9.682 3.413 -10.961 1.00 71.32 O ATOM 259 CB THR A 17 7.124 4.287 -11.620 1.00 43.34 C ATOM 260 OG1 THR A 17 7.788 4.617 -12.846 1.00 32.22 O ATOM 261 CG2 THR A 17 5.687 4.783 -11.667 1.00 73.31 C ATOM 0 H THR A 17 9.199 6.341 -11.201 1.00 11.24 H new ATOM 0 HA THR A 17 7.209 4.960 -9.571 1.00 40.12 H new ATOM 0 HB THR A 17 7.114 3.205 -11.492 1.00 43.34 H new ATOM 0 HG1 THR A 17 8.734 4.368 -12.783 1.00 32.22 H new ATOM 0 HG21 THR A 17 5.174 4.332 -12.516 1.00 73.31 H new ATOM 0 HG22 THR A 17 5.176 4.506 -10.745 1.00 73.31 H new ATOM 0 HG23 THR A 17 5.680 5.868 -11.774 1.00 73.31 H new ATOM 269 N THR A 18 9.401 3.959 -8.796 1.00 71.33 N ATOM 270 CA THR A 18 10.522 3.150 -8.334 1.00 35.13 C ATOM 271 C THR A 18 10.720 3.294 -6.829 1.00 52.22 C ATOM 272 O THR A 18 11.143 2.354 -6.155 1.00 73.13 O ATOM 273 CB THR A 18 11.828 3.537 -9.052 1.00 1.32 C ATOM 274 OG1 THR A 18 12.937 2.862 -8.448 1.00 44.14 O ATOM 275 CG2 THR A 18 12.051 5.041 -8.995 1.00 63.01 C ATOM 0 H THR A 18 8.907 4.457 -8.056 1.00 71.33 H new ATOM 0 HA THR A 18 10.281 2.113 -8.569 1.00 35.13 H new ATOM 0 HB THR A 18 11.746 3.237 -10.097 1.00 1.32 H new ATOM 0 HG1 THR A 18 13.764 3.112 -8.911 1.00 44.14 H new ATOM 0 HG21 THR A 18 12.979 5.291 -9.509 1.00 63.01 H new ATOM 0 HG22 THR A 18 11.219 5.551 -9.481 1.00 63.01 H new ATOM 0 HG23 THR A 18 12.115 5.360 -7.955 1.00 63.01 H new ATOM 283 N LEU A 19 10.411 4.476 -6.307 1.00 45.45 N ATOM 284 CA LEU A 19 10.555 4.744 -4.881 1.00 21.24 C ATOM 285 C LEU A 19 9.292 4.349 -4.123 1.00 32.34 C ATOM 286 O LEU A 19 8.233 4.153 -4.720 1.00 24.52 O ATOM 287 CB LEU A 19 10.862 6.224 -4.647 1.00 55.24 C ATOM 288 CG LEU A 19 12.256 6.544 -4.107 1.00 51.13 C ATOM 289 CD1 LEU A 19 13.102 7.215 -5.178 1.00 61.11 C ATOM 290 CD2 LEU A 19 12.160 7.426 -2.871 1.00 35.01 C ATOM 0 H LEU A 19 10.059 5.264 -6.850 1.00 45.45 H new ATOM 0 HA LEU A 19 11.385 4.144 -4.506 1.00 21.24 H new ATOM 0 HB2 LEU A 19 10.729 6.755 -5.589 1.00 55.24 H new ATOM 0 HB3 LEU A 19 10.124 6.621 -3.950 1.00 55.24 H new ATOM 0 HG LEU A 19 12.739 5.608 -3.825 1.00 51.13 H new ATOM 0 HD11 LEU A 19 14.091 7.435 -4.776 1.00 61.11 H new ATOM 0 HD12 LEU A 19 13.199 6.549 -6.035 1.00 61.11 H new ATOM 0 HD13 LEU A 19 12.623 8.142 -5.492 1.00 61.11 H new ATOM 0 HD21 LEU A 19 13.162 7.643 -2.500 1.00 35.01 H new ATOM 0 HD22 LEU A 19 11.658 8.359 -3.128 1.00 35.01 H new ATOM 0 HD23 LEU A 19 11.592 6.909 -2.098 1.00 35.01 H new ATOM 302 N SER A 20 9.410 4.236 -2.804 1.00 21.25 N ATOM 303 CA SER A 20 8.278 3.863 -1.964 1.00 30.24 C ATOM 304 C SER A 20 8.221 4.732 -0.711 1.00 23.11 C ATOM 305 O SER A 20 9.112 5.545 -0.466 1.00 62.43 O ATOM 306 CB SER A 20 8.372 2.387 -1.571 1.00 13.34 C ATOM 307 OG SER A 20 9.657 1.864 -1.858 1.00 74.52 O ATOM 0 H SER A 20 10.278 4.397 -2.294 1.00 21.25 H new ATOM 0 HA SER A 20 7.364 4.022 -2.537 1.00 30.24 H new ATOM 0 HB2 SER A 20 8.160 2.276 -0.508 1.00 13.34 H new ATOM 0 HB3 SER A 20 7.615 1.815 -2.108 1.00 13.34 H new ATOM 0 HG SER A 20 10.341 2.435 -1.451 1.00 74.52 H new ATOM 313 N GLU A 21 7.167 4.553 0.078 1.00 14.34 N ATOM 314 CA GLU A 21 6.993 5.322 1.305 1.00 32.35 C ATOM 315 C GLU A 21 8.095 4.998 2.311 1.00 54.35 C ATOM 316 O GLU A 21 8.359 5.775 3.229 1.00 63.53 O ATOM 317 CB GLU A 21 5.623 5.034 1.924 1.00 50.43 C ATOM 318 CG GLU A 21 4.468 5.210 0.952 1.00 31.42 C ATOM 319 CD GLU A 21 3.164 4.652 1.490 1.00 40.34 C ATOM 320 OE1 GLU A 21 2.983 4.651 2.725 1.00 21.00 O ATOM 321 OE2 GLU A 21 2.324 4.218 0.674 1.00 63.35 O ATOM 0 H GLU A 21 6.421 3.883 -0.110 1.00 14.34 H new ATOM 0 HA GLU A 21 7.055 6.380 1.052 1.00 32.35 H new ATOM 0 HB2 GLU A 21 5.613 4.013 2.306 1.00 50.43 H new ATOM 0 HB3 GLU A 21 5.473 5.695 2.778 1.00 50.43 H new ATOM 0 HG2 GLU A 21 4.342 6.270 0.731 1.00 31.42 H new ATOM 0 HG3 GLU A 21 4.710 4.715 0.012 1.00 31.42 H new ATOM 328 N ASP A 22 8.733 3.847 2.130 1.00 54.22 N ATOM 329 CA ASP A 22 9.806 3.420 3.020 1.00 41.13 C ATOM 330 C ASP A 22 11.027 4.323 2.871 1.00 72.32 C ATOM 331 O ASP A 22 11.874 4.390 3.762 1.00 71.24 O ATOM 332 CB ASP A 22 10.191 1.969 2.729 1.00 21.42 C ATOM 333 CG ASP A 22 10.750 1.263 3.949 1.00 72.31 C ATOM 334 OD1 ASP A 22 9.959 0.929 4.856 1.00 12.33 O ATOM 335 OD2 ASP A 22 11.978 1.043 3.996 1.00 70.32 O ATOM 0 H ASP A 22 8.526 3.193 1.375 1.00 54.22 H new ATOM 0 HA ASP A 22 9.445 3.493 4.046 1.00 41.13 H new ATOM 0 HB2 ASP A 22 9.315 1.429 2.370 1.00 21.42 H new ATOM 0 HB3 ASP A 22 10.931 1.946 1.929 1.00 21.42 H new ATOM 340 N ASP A 23 11.111 5.014 1.739 1.00 35.14 N ATOM 341 CA ASP A 23 12.228 5.913 1.473 1.00 33.25 C ATOM 342 C ASP A 23 11.972 7.290 2.077 1.00 43.30 C ATOM 343 O ASP A 23 11.284 7.419 3.090 1.00 25.04 O ATOM 344 CB ASP A 23 12.462 6.038 -0.033 1.00 21.42 C ATOM 345 CG ASP A 23 12.418 4.697 -0.739 1.00 25.44 C ATOM 346 OD1 ASP A 23 11.317 4.117 -0.843 1.00 43.44 O ATOM 347 OD2 ASP A 23 13.486 4.226 -1.185 1.00 73.24 O ATOM 0 H ASP A 23 10.419 4.969 0.991 1.00 35.14 H new ATOM 0 HA ASP A 23 13.120 5.493 1.937 1.00 33.25 H new ATOM 0 HB2 ASP A 23 11.706 6.696 -0.462 1.00 21.42 H new ATOM 0 HB3 ASP A 23 13.430 6.507 -0.210 1.00 21.42 H new ATOM 352 N THR A 24 12.532 8.319 1.448 1.00 10.41 N ATOM 353 CA THR A 24 12.367 9.687 1.924 1.00 42.12 C ATOM 354 C THR A 24 12.122 10.646 0.765 1.00 51.52 C ATOM 355 O THR A 24 12.391 10.321 -0.392 1.00 33.35 O ATOM 356 CB THR A 24 13.602 10.160 2.714 1.00 20.30 C ATOM 357 OG1 THR A 24 14.727 9.327 2.409 1.00 14.34 O ATOM 358 CG2 THR A 24 13.332 10.128 4.211 1.00 75.33 C ATOM 0 H THR A 24 13.104 8.231 0.608 1.00 10.41 H new ATOM 0 HA THR A 24 11.500 9.689 2.584 1.00 42.12 H new ATOM 0 HB THR A 24 13.821 11.187 2.422 1.00 20.30 H new ATOM 0 HG1 THR A 24 15.509 9.635 2.914 1.00 14.34 H new ATOM 0 HG21 THR A 24 14.218 10.466 4.748 1.00 75.33 H new ATOM 0 HG22 THR A 24 12.494 10.785 4.444 1.00 75.33 H new ATOM 0 HG23 THR A 24 13.090 9.110 4.515 1.00 75.33 H new ATOM 366 N VAL A 25 11.610 11.832 1.082 1.00 63.31 N ATOM 367 CA VAL A 25 11.330 12.840 0.066 1.00 25.15 C ATOM 368 C VAL A 25 12.575 13.151 -0.757 1.00 3.23 C ATOM 369 O VAL A 25 12.530 13.172 -1.987 1.00 62.15 O ATOM 370 CB VAL A 25 10.807 14.143 0.699 1.00 45.31 C ATOM 371 CG1 VAL A 25 10.346 15.112 -0.379 1.00 13.21 C ATOM 372 CG2 VAL A 25 9.682 13.846 1.678 1.00 74.23 C ATOM 0 H VAL A 25 11.381 12.118 2.034 1.00 63.31 H new ATOM 0 HA VAL A 25 10.561 12.427 -0.587 1.00 25.15 H new ATOM 0 HB VAL A 25 11.622 14.612 1.251 1.00 45.31 H new ATOM 0 HG11 VAL A 25 9.980 16.027 0.087 1.00 13.21 H new ATOM 0 HG12 VAL A 25 11.182 15.349 -1.037 1.00 13.21 H new ATOM 0 HG13 VAL A 25 9.545 14.655 -0.961 1.00 13.21 H new ATOM 0 HG21 VAL A 25 9.325 14.778 2.116 1.00 74.23 H new ATOM 0 HG22 VAL A 25 8.863 13.354 1.153 1.00 74.23 H new ATOM 0 HG23 VAL A 25 10.051 13.192 2.468 1.00 74.23 H new ATOM 382 N LEU A 26 13.687 13.392 -0.070 1.00 54.41 N ATOM 383 CA LEU A 26 14.946 13.702 -0.737 1.00 43.45 C ATOM 384 C LEU A 26 15.391 12.545 -1.626 1.00 10.01 C ATOM 385 O LEU A 26 16.077 12.747 -2.628 1.00 61.20 O ATOM 386 CB LEU A 26 16.031 14.013 0.296 1.00 54.02 C ATOM 387 CG LEU A 26 16.962 12.856 0.660 1.00 42.34 C ATOM 388 CD1 LEU A 26 18.150 12.809 -0.289 1.00 21.02 C ATOM 389 CD2 LEU A 26 17.433 12.984 2.101 1.00 30.20 C ATOM 0 H LEU A 26 13.742 13.379 0.948 1.00 54.41 H new ATOM 0 HA LEU A 26 14.789 14.579 -1.365 1.00 43.45 H new ATOM 0 HB2 LEU A 26 16.638 14.837 -0.080 1.00 54.02 H new ATOM 0 HB3 LEU A 26 15.547 14.364 1.207 1.00 54.02 H new ATOM 0 HG LEU A 26 16.407 11.923 0.562 1.00 42.34 H new ATOM 0 HD11 LEU A 26 18.802 11.980 -0.015 1.00 21.02 H new ATOM 0 HD12 LEU A 26 17.795 12.669 -1.310 1.00 21.02 H new ATOM 0 HD13 LEU A 26 18.706 13.744 -0.223 1.00 21.02 H new ATOM 0 HD21 LEU A 26 18.095 12.152 2.343 1.00 30.20 H new ATOM 0 HD22 LEU A 26 17.971 13.924 2.226 1.00 30.20 H new ATOM 0 HD23 LEU A 26 16.571 12.968 2.768 1.00 30.20 H new ATOM 401 N ASP A 27 14.994 11.333 -1.253 1.00 51.50 N ATOM 402 CA ASP A 27 15.349 10.144 -2.018 1.00 34.52 C ATOM 403 C ASP A 27 14.584 10.097 -3.337 1.00 13.22 C ATOM 404 O ASP A 27 15.114 9.660 -4.359 1.00 74.12 O ATOM 405 CB ASP A 27 15.060 8.882 -1.202 1.00 42.31 C ATOM 406 CG ASP A 27 15.892 7.698 -1.654 1.00 31.13 C ATOM 407 OD1 ASP A 27 17.135 7.774 -1.556 1.00 71.32 O ATOM 408 OD2 ASP A 27 15.300 6.695 -2.104 1.00 30.12 O ATOM 0 H ASP A 27 14.426 11.149 -0.426 1.00 51.50 H new ATOM 0 HA ASP A 27 16.415 10.189 -2.239 1.00 34.52 H new ATOM 0 HB2 ASP A 27 15.258 9.081 -0.149 1.00 42.31 H new ATOM 0 HB3 ASP A 27 14.002 8.633 -1.286 1.00 42.31 H new ATOM 413 N LEU A 28 13.335 10.550 -3.307 1.00 21.23 N ATOM 414 CA LEU A 28 12.496 10.559 -4.500 1.00 12.41 C ATOM 415 C LEU A 28 12.875 11.713 -5.423 1.00 72.00 C ATOM 416 O LEU A 28 13.043 11.529 -6.629 1.00 33.53 O ATOM 417 CB LEU A 28 11.021 10.667 -4.109 1.00 52.31 C ATOM 418 CG LEU A 28 10.010 10.328 -5.205 1.00 14.22 C ATOM 419 CD1 LEU A 28 9.374 8.972 -4.943 1.00 71.33 C ATOM 420 CD2 LEU A 28 8.943 11.410 -5.299 1.00 62.45 C ATOM 0 H LEU A 28 12.881 10.916 -2.470 1.00 21.23 H new ATOM 0 HA LEU A 28 12.656 9.623 -5.034 1.00 12.41 H new ATOM 0 HB2 LEU A 28 10.841 10.007 -3.260 1.00 52.31 H new ATOM 0 HB3 LEU A 28 10.830 11.684 -3.768 1.00 52.31 H new ATOM 0 HG LEU A 28 10.537 10.281 -6.158 1.00 14.22 H new ATOM 0 HD11 LEU A 28 8.657 8.748 -5.733 1.00 71.33 H new ATOM 0 HD12 LEU A 28 10.148 8.204 -4.926 1.00 71.33 H new ATOM 0 HD13 LEU A 28 8.860 8.991 -3.982 1.00 71.33 H new ATOM 0 HD21 LEU A 28 8.232 11.153 -6.084 1.00 62.45 H new ATOM 0 HD22 LEU A 28 8.419 11.488 -4.346 1.00 62.45 H new ATOM 0 HD23 LEU A 28 9.413 12.365 -5.534 1.00 62.45 H new ATOM 432 N LYS A 29 13.010 12.903 -4.849 1.00 3.43 N ATOM 433 CA LYS A 29 13.373 14.088 -5.618 1.00 22.21 C ATOM 434 C LYS A 29 14.754 13.927 -6.245 1.00 3.11 C ATOM 435 O LYS A 29 14.914 14.062 -7.458 1.00 30.33 O ATOM 436 CB LYS A 29 13.349 15.329 -4.723 1.00 52.34 C ATOM 437 CG LYS A 29 12.028 16.078 -4.758 1.00 34.11 C ATOM 438 CD LYS A 29 11.130 15.678 -3.599 1.00 73.02 C ATOM 439 CE LYS A 29 10.242 14.498 -3.964 1.00 21.25 C ATOM 440 NZ LYS A 29 8.812 14.895 -4.082 1.00 12.11 N ATOM 0 H LYS A 29 12.873 13.073 -3.853 1.00 3.43 H new ATOM 0 HA LYS A 29 12.642 14.210 -6.417 1.00 22.21 H new ATOM 0 HB2 LYS A 29 13.561 15.030 -3.696 1.00 52.34 H new ATOM 0 HB3 LYS A 29 14.148 16.004 -5.030 1.00 52.34 H new ATOM 0 HG2 LYS A 29 12.216 17.151 -4.721 1.00 34.11 H new ATOM 0 HG3 LYS A 29 11.519 15.876 -5.700 1.00 34.11 H new ATOM 0 HD2 LYS A 29 11.742 15.420 -2.735 1.00 73.02 H new ATOM 0 HD3 LYS A 29 10.509 16.526 -3.309 1.00 73.02 H new ATOM 0 HE2 LYS A 29 10.579 14.069 -4.908 1.00 21.25 H new ATOM 0 HE3 LYS A 29 10.342 13.721 -3.206 1.00 21.25 H new ATOM 0 HZ1 LYS A 29 8.334 14.273 -4.765 1.00 12.11 H new ATOM 0 HZ2 LYS A 29 8.350 14.809 -3.154 1.00 12.11 H new ATOM 0 HZ3 LYS A 29 8.751 15.880 -4.409 1.00 12.11 H new ATOM 454 N GLN A 30 15.748 13.637 -5.411 1.00 11.40 N ATOM 455 CA GLN A 30 17.115 13.458 -5.885 1.00 71.23 C ATOM 456 C GLN A 30 17.182 12.371 -6.954 1.00 1.45 C ATOM 457 O GLN A 30 18.110 12.338 -7.763 1.00 15.34 O ATOM 458 CB GLN A 30 18.039 13.101 -4.720 1.00 11.24 C ATOM 459 CG GLN A 30 18.024 11.624 -4.362 1.00 25.23 C ATOM 460 CD GLN A 30 19.121 10.844 -5.059 1.00 62.44 C ATOM 461 OE1 GLN A 30 20.295 11.212 -5.000 1.00 73.23 O ATOM 462 NE2 GLN A 30 18.744 9.759 -5.726 1.00 22.55 N ATOM 0 H GLN A 30 15.632 13.521 -4.404 1.00 11.40 H new ATOM 0 HA GLN A 30 17.446 14.398 -6.326 1.00 71.23 H new ATOM 0 HB2 GLN A 30 19.058 13.395 -4.972 1.00 11.24 H new ATOM 0 HB3 GLN A 30 17.747 13.681 -3.845 1.00 11.24 H new ATOM 0 HG2 GLN A 30 18.135 11.514 -3.283 1.00 25.23 H new ATOM 0 HG3 GLN A 30 17.056 11.199 -4.628 1.00 25.23 H new ATOM 0 HE21 GLN A 30 17.760 9.490 -5.749 1.00 22.55 H new ATOM 0 HE22 GLN A 30 19.438 9.194 -6.215 1.00 22.55 H new ATOM 471 N PHE A 31 16.193 11.483 -6.950 1.00 44.33 N ATOM 472 CA PHE A 31 16.141 10.394 -7.918 1.00 50.15 C ATOM 473 C PHE A 31 15.673 10.899 -9.280 1.00 72.12 C ATOM 474 O PHE A 31 16.348 10.707 -10.292 1.00 43.02 O ATOM 475 CB PHE A 31 15.207 9.288 -7.423 1.00 60.14 C ATOM 476 CG PHE A 31 15.106 8.122 -8.365 1.00 43.22 C ATOM 477 CD1 PHE A 31 14.235 8.157 -9.441 1.00 54.55 C ATOM 478 CD2 PHE A 31 15.883 6.991 -8.174 1.00 22.12 C ATOM 479 CE1 PHE A 31 14.140 7.087 -10.310 1.00 73.43 C ATOM 480 CE2 PHE A 31 15.793 5.917 -9.039 1.00 51.45 C ATOM 481 CZ PHE A 31 14.919 5.965 -10.108 1.00 63.33 C ATOM 0 H PHE A 31 15.417 11.496 -6.288 1.00 44.33 H new ATOM 0 HA PHE A 31 17.147 9.989 -8.026 1.00 50.15 H new ATOM 0 HB2 PHE A 31 15.559 8.933 -6.454 1.00 60.14 H new ATOM 0 HB3 PHE A 31 14.213 9.706 -7.267 1.00 60.14 H new ATOM 0 HD1 PHE A 31 13.622 9.032 -9.603 1.00 54.55 H new ATOM 0 HD2 PHE A 31 16.567 6.948 -7.339 1.00 22.12 H new ATOM 0 HE1 PHE A 31 13.457 7.128 -11.146 1.00 73.43 H new ATOM 0 HE2 PHE A 31 16.405 5.041 -8.880 1.00 51.45 H new ATOM 0 HZ PHE A 31 14.845 5.126 -10.784 1.00 63.33 H new ATOM 491 N LEU A 32 14.512 11.545 -9.298 1.00 30.52 N ATOM 492 CA LEU A 32 13.951 12.077 -10.535 1.00 5.32 C ATOM 493 C LEU A 32 14.782 13.249 -11.049 1.00 20.13 C ATOM 494 O LEU A 32 15.039 13.364 -12.247 1.00 60.33 O ATOM 495 CB LEU A 32 12.505 12.522 -10.312 1.00 73.35 C ATOM 496 CG LEU A 32 12.258 13.423 -9.102 1.00 32.41 C ATOM 497 CD1 LEU A 32 12.238 14.885 -9.520 1.00 21.31 C ATOM 498 CD2 LEU A 32 10.954 13.045 -8.413 1.00 43.33 C ATOM 0 H LEU A 32 13.941 11.713 -8.470 1.00 30.52 H new ATOM 0 HA LEU A 32 13.970 11.285 -11.284 1.00 5.32 H new ATOM 0 HB2 LEU A 32 12.166 13.046 -11.205 1.00 73.35 H new ATOM 0 HB3 LEU A 32 11.884 11.632 -10.210 1.00 73.35 H new ATOM 0 HG LEU A 32 13.075 13.280 -8.394 1.00 32.41 H new ATOM 0 HD11 LEU A 32 12.061 15.511 -8.645 1.00 21.31 H new ATOM 0 HD12 LEU A 32 13.196 15.149 -9.967 1.00 21.31 H new ATOM 0 HD13 LEU A 32 11.442 15.045 -10.248 1.00 21.31 H new ATOM 0 HD21 LEU A 32 10.794 13.697 -7.554 1.00 43.33 H new ATOM 0 HD22 LEU A 32 10.126 13.158 -9.113 1.00 43.33 H new ATOM 0 HD23 LEU A 32 11.007 12.009 -8.078 1.00 43.33 H new ATOM 510 N LYS A 33 15.201 14.116 -10.134 1.00 4.42 N ATOM 511 CA LYS A 33 16.006 15.278 -10.492 1.00 44.14 C ATOM 512 C LYS A 33 17.253 14.859 -11.265 1.00 21.34 C ATOM 513 O LYS A 33 17.783 15.623 -12.072 1.00 73.34 O ATOM 514 CB LYS A 33 16.409 16.053 -9.236 1.00 14.14 C ATOM 515 CG LYS A 33 17.888 16.390 -9.176 1.00 44.24 C ATOM 516 CD LYS A 33 18.702 15.234 -8.619 1.00 51.12 C ATOM 517 CE LYS A 33 20.093 15.184 -9.233 1.00 13.42 C ATOM 518 NZ LYS A 33 20.825 13.946 -8.848 1.00 11.24 N ATOM 0 H LYS A 33 14.996 14.036 -9.138 1.00 4.42 H new ATOM 0 HA LYS A 33 15.403 15.923 -11.131 1.00 44.14 H new ATOM 0 HB2 LYS A 33 15.833 16.977 -9.189 1.00 14.14 H new ATOM 0 HB3 LYS A 33 16.143 15.466 -8.357 1.00 14.14 H new ATOM 0 HG2 LYS A 33 18.246 16.640 -10.175 1.00 44.24 H new ATOM 0 HG3 LYS A 33 18.036 17.273 -8.554 1.00 44.24 H new ATOM 0 HD2 LYS A 33 18.784 15.334 -7.537 1.00 51.12 H new ATOM 0 HD3 LYS A 33 18.183 14.295 -8.814 1.00 51.12 H new ATOM 0 HE2 LYS A 33 20.013 15.236 -10.319 1.00 13.42 H new ATOM 0 HE3 LYS A 33 20.663 16.057 -8.914 1.00 13.42 H new ATOM 0 HZ1 LYS A 33 21.670 14.199 -8.298 1.00 11.24 H new ATOM 0 HZ2 LYS A 33 20.205 13.341 -8.272 1.00 11.24 H new ATOM 0 HZ3 LYS A 33 21.112 13.431 -9.705 1.00 11.24 H new ATOM 532 N THR A 34 17.718 13.639 -11.012 1.00 74.35 N ATOM 533 CA THR A 34 18.902 13.118 -11.684 1.00 35.20 C ATOM 534 C THR A 34 18.567 12.629 -13.089 1.00 13.15 C ATOM 535 O THR A 34 19.438 12.559 -13.957 1.00 14.03 O ATOM 536 CB THR A 34 19.536 11.961 -10.888 1.00 53.50 C ATOM 537 OG1 THR A 34 20.963 12.073 -10.916 1.00 21.42 O ATOM 538 CG2 THR A 34 19.116 10.616 -11.460 1.00 55.14 C ATOM 0 H THR A 34 17.292 12.994 -10.347 1.00 74.35 H new ATOM 0 HA THR A 34 19.616 13.939 -11.749 1.00 35.20 H new ATOM 0 HB THR A 34 19.187 12.024 -9.857 1.00 53.50 H new ATOM 0 HG1 THR A 34 21.359 11.335 -10.407 1.00 21.42 H new ATOM 0 HG21 THR A 34 19.576 9.815 -10.882 1.00 55.14 H new ATOM 0 HG22 THR A 34 18.031 10.522 -11.411 1.00 55.14 H new ATOM 0 HG23 THR A 34 19.439 10.545 -12.499 1.00 55.14 H new ATOM 546 N LEU A 35 17.300 12.293 -13.306 1.00 62.44 N ATOM 547 CA LEU A 35 16.850 11.811 -14.608 1.00 34.24 C ATOM 548 C LEU A 35 16.701 12.965 -15.594 1.00 34.31 C ATOM 549 O LEU A 35 17.353 12.992 -16.638 1.00 73.13 O ATOM 550 CB LEU A 35 15.518 11.071 -14.466 1.00 64.42 C ATOM 551 CG LEU A 35 15.392 10.142 -13.258 1.00 14.32 C ATOM 552 CD1 LEU A 35 14.003 9.524 -13.203 1.00 63.33 C ATOM 553 CD2 LEU A 35 16.459 9.059 -13.303 1.00 71.44 C ATOM 0 H LEU A 35 16.567 12.345 -12.599 1.00 62.44 H new ATOM 0 HA LEU A 35 17.602 11.123 -14.994 1.00 34.24 H new ATOM 0 HB2 LEU A 35 14.718 11.810 -14.416 1.00 64.42 H new ATOM 0 HB3 LEU A 35 15.353 10.484 -15.369 1.00 64.42 H new ATOM 0 HG LEU A 35 15.541 10.732 -12.353 1.00 14.32 H new ATOM 0 HD11 LEU A 35 13.932 8.866 -12.337 1.00 63.33 H new ATOM 0 HD12 LEU A 35 13.256 10.314 -13.121 1.00 63.33 H new ATOM 0 HD13 LEU A 35 13.824 8.949 -14.112 1.00 63.33 H new ATOM 0 HD21 LEU A 35 16.353 8.408 -12.435 1.00 71.44 H new ATOM 0 HD22 LEU A 35 16.343 8.472 -14.214 1.00 71.44 H new ATOM 0 HD23 LEU A 35 17.446 9.520 -13.292 1.00 71.44 H new ATOM 565 N THR A 36 15.839 13.919 -15.255 1.00 22.11 N ATOM 566 CA THR A 36 15.605 15.076 -16.109 1.00 42.13 C ATOM 567 C THR A 36 15.570 16.364 -15.294 1.00 32.41 C ATOM 568 O THR A 36 15.886 17.439 -15.800 1.00 5.32 O ATOM 569 CB THR A 36 14.284 14.940 -16.890 1.00 64.02 C ATOM 570 OG1 THR A 36 14.031 16.136 -17.636 1.00 61.45 O ATOM 571 CG2 THR A 36 13.123 14.670 -15.946 1.00 32.21 C ATOM 0 H THR A 36 15.291 13.913 -14.394 1.00 22.11 H new ATOM 0 HA THR A 36 16.434 15.119 -16.816 1.00 42.13 H new ATOM 0 HB THR A 36 14.377 14.098 -17.575 1.00 64.02 H new ATOM 0 HG1 THR A 36 13.190 16.041 -18.131 1.00 61.45 H new ATOM 0 HG21 THR A 36 12.201 14.578 -16.520 1.00 32.21 H new ATOM 0 HG22 THR A 36 13.305 13.744 -15.401 1.00 32.21 H new ATOM 0 HG23 THR A 36 13.029 15.495 -15.239 1.00 32.21 H new ATOM 579 N GLY A 37 15.183 16.246 -14.027 1.00 53.12 N ATOM 580 CA GLY A 37 15.114 17.409 -13.162 1.00 32.13 C ATOM 581 C GLY A 37 16.471 18.047 -12.938 1.00 73.34 C ATOM 582 O GLY A 37 17.473 17.603 -13.498 1.00 62.23 O ATOM 0 H GLY A 37 14.916 15.366 -13.585 1.00 53.12 H new ATOM 0 HA2 GLY A 37 14.438 18.144 -13.600 1.00 32.13 H new ATOM 0 HA3 GLY A 37 14.690 17.118 -12.201 1.00 32.13 H new ATOM 586 N VAL A 38 16.504 19.093 -12.119 1.00 34.33 N ATOM 587 CA VAL A 38 17.748 19.793 -11.823 1.00 54.41 C ATOM 588 C VAL A 38 18.160 19.592 -10.369 1.00 73.33 C ATOM 589 O VAL A 38 17.324 19.623 -9.465 1.00 53.52 O ATOM 590 CB VAL A 38 17.622 21.302 -12.105 1.00 44.42 C ATOM 591 CG1 VAL A 38 16.273 21.824 -11.635 1.00 22.34 C ATOM 592 CG2 VAL A 38 18.759 22.064 -11.440 1.00 50.34 C ATOM 0 H VAL A 38 15.683 19.474 -11.649 1.00 34.33 H new ATOM 0 HA VAL A 38 18.512 19.370 -12.475 1.00 54.41 H new ATOM 0 HB VAL A 38 17.689 21.459 -13.182 1.00 44.42 H new ATOM 0 HG11 VAL A 38 16.203 22.892 -11.843 1.00 22.34 H new ATOM 0 HG12 VAL A 38 15.476 21.299 -12.162 1.00 22.34 H new ATOM 0 HG13 VAL A 38 16.171 21.656 -10.563 1.00 22.34 H new ATOM 0 HG21 VAL A 38 18.655 23.129 -11.649 1.00 50.34 H new ATOM 0 HG22 VAL A 38 18.725 21.901 -10.363 1.00 50.34 H new ATOM 0 HG23 VAL A 38 19.713 21.709 -11.831 1.00 50.34 H new ATOM 602 N LEU A 39 19.454 19.385 -10.150 1.00 75.33 N ATOM 603 CA LEU A 39 19.978 19.178 -8.805 1.00 4.21 C ATOM 604 C LEU A 39 19.580 20.326 -7.883 1.00 33.02 C ATOM 605 O LEU A 39 19.392 21.464 -8.313 1.00 53.12 O ATOM 606 CB LEU A 39 21.502 19.047 -8.845 1.00 71.11 C ATOM 607 CG LEU A 39 22.222 19.904 -9.887 1.00 22.23 C ATOM 608 CD1 LEU A 39 22.137 19.258 -11.261 1.00 31.22 C ATOM 609 CD2 LEU A 39 21.637 21.308 -9.919 1.00 4.44 C ATOM 0 H LEU A 39 20.159 19.356 -10.886 1.00 75.33 H new ATOM 0 HA LEU A 39 19.550 18.256 -8.413 1.00 4.21 H new ATOM 0 HB2 LEU A 39 21.895 19.301 -7.860 1.00 71.11 H new ATOM 0 HB3 LEU A 39 21.752 18.002 -9.028 1.00 71.11 H new ATOM 0 HG LEU A 39 23.273 19.976 -9.607 1.00 22.23 H new ATOM 0 HD11 LEU A 39 22.655 19.882 -11.989 1.00 31.22 H new ATOM 0 HD12 LEU A 39 22.604 18.274 -11.230 1.00 31.22 H new ATOM 0 HD13 LEU A 39 21.091 19.155 -11.550 1.00 31.22 H new ATOM 0 HD21 LEU A 39 22.161 21.904 -10.666 1.00 4.44 H new ATOM 0 HD22 LEU A 39 20.579 21.255 -10.174 1.00 4.44 H new ATOM 0 HD23 LEU A 39 21.751 21.772 -8.939 1.00 4.44 H new ATOM 621 N PRO A 40 19.449 20.023 -6.583 1.00 21.13 N ATOM 622 CA PRO A 40 19.074 21.016 -5.572 1.00 44.40 C ATOM 623 C PRO A 40 20.180 22.036 -5.324 1.00 4.42 C ATOM 624 O PRO A 40 19.924 23.137 -4.836 1.00 72.43 O ATOM 625 CB PRO A 40 18.834 20.173 -4.318 1.00 33.24 C ATOM 626 CG PRO A 40 19.661 18.950 -4.519 1.00 11.33 C ATOM 627 CD PRO A 40 19.658 18.687 -5.999 1.00 52.12 C ATOM 0 HA PRO A 40 18.209 21.603 -5.879 1.00 44.40 H new ATOM 0 HB2 PRO A 40 19.133 20.709 -3.417 1.00 33.24 H new ATOM 0 HB3 PRO A 40 17.779 19.923 -4.205 1.00 33.24 H new ATOM 0 HG2 PRO A 40 20.676 19.101 -4.151 1.00 11.33 H new ATOM 0 HG3 PRO A 40 19.246 18.104 -3.971 1.00 11.33 H new ATOM 0 HD2 PRO A 40 20.598 18.246 -6.331 1.00 52.12 H new ATOM 0 HD3 PRO A 40 18.864 17.996 -6.283 1.00 52.12 H new ATOM 635 N GLU A 41 21.410 21.663 -5.663 1.00 45.20 N ATOM 636 CA GLU A 41 22.555 22.547 -5.476 1.00 21.01 C ATOM 637 C GLU A 41 22.318 23.895 -6.150 1.00 54.05 C ATOM 638 O GLU A 41 22.685 24.942 -5.617 1.00 24.44 O ATOM 639 CB GLU A 41 23.824 21.900 -6.036 1.00 53.50 C ATOM 640 CG GLU A 41 25.024 22.832 -6.055 1.00 21.11 C ATOM 641 CD GLU A 41 26.303 22.127 -6.462 1.00 23.31 C ATOM 642 OE1 GLU A 41 26.481 20.952 -6.079 1.00 63.43 O ATOM 643 OE2 GLU A 41 27.126 22.751 -7.164 1.00 25.11 O ATOM 0 H GLU A 41 21.639 20.755 -6.068 1.00 45.20 H new ATOM 0 HA GLU A 41 22.682 22.713 -4.406 1.00 21.01 H new ATOM 0 HB2 GLU A 41 24.067 21.020 -5.440 1.00 53.50 H new ATOM 0 HB3 GLU A 41 23.628 21.553 -7.051 1.00 53.50 H new ATOM 0 HG2 GLU A 41 24.831 23.653 -6.745 1.00 21.11 H new ATOM 0 HG3 GLU A 41 25.154 23.271 -5.066 1.00 21.11 H new ATOM 650 N ARG A 42 21.701 23.861 -7.327 1.00 71.42 N ATOM 651 CA ARG A 42 21.416 25.079 -8.076 1.00 73.52 C ATOM 652 C ARG A 42 19.940 25.451 -7.967 1.00 1.25 C ATOM 653 O ARG A 42 19.596 26.625 -7.832 1.00 35.13 O ATOM 654 CB ARG A 42 21.800 24.900 -9.546 1.00 51.42 C ATOM 655 CG ARG A 42 23.245 25.264 -9.846 1.00 71.14 C ATOM 656 CD ARG A 42 24.092 24.025 -10.087 1.00 65.55 C ATOM 657 NE ARG A 42 25.492 24.359 -10.339 1.00 33.21 N ATOM 658 CZ ARG A 42 26.456 23.452 -10.450 1.00 34.55 C ATOM 659 NH1 ARG A 42 26.173 22.162 -10.332 1.00 20.51 N ATOM 660 NH2 ARG A 42 27.705 23.834 -10.679 1.00 3.12 N ATOM 0 H ARG A 42 21.389 23.003 -7.782 1.00 71.42 H new ATOM 0 HA ARG A 42 22.010 25.887 -7.648 1.00 73.52 H new ATOM 0 HB2 ARG A 42 21.628 23.863 -9.834 1.00 51.42 H new ATOM 0 HB3 ARG A 42 21.144 25.515 -10.162 1.00 51.42 H new ATOM 0 HG2 ARG A 42 23.284 25.909 -10.723 1.00 71.14 H new ATOM 0 HG3 ARG A 42 23.659 25.833 -9.013 1.00 71.14 H new ATOM 0 HD2 ARG A 42 24.027 23.367 -9.220 1.00 65.55 H new ATOM 0 HD3 ARG A 42 23.692 23.473 -10.937 1.00 65.55 H new ATOM 0 HE ARG A 42 25.743 25.343 -10.435 1.00 33.21 H new ATOM 0 HH11 ARG A 42 25.213 21.864 -10.156 1.00 20.51 H new ATOM 0 HH12 ARG A 42 26.915 21.467 -10.418 1.00 20.51 H new ATOM 0 HH21 ARG A 42 27.927 24.825 -10.770 1.00 3.12 H new ATOM 0 HH22 ARG A 42 28.444 23.136 -10.764 1.00 3.12 H new ATOM 674 N GLN A 43 19.075 24.444 -8.026 1.00 13.20 N ATOM 675 CA GLN A 43 17.637 24.667 -7.935 1.00 34.04 C ATOM 676 C GLN A 43 17.137 24.419 -6.515 1.00 55.42 C ATOM 677 O GLN A 43 17.771 23.706 -5.737 1.00 52.34 O ATOM 678 CB GLN A 43 16.895 23.757 -8.915 1.00 51.24 C ATOM 679 CG GLN A 43 16.553 22.392 -8.340 1.00 0.43 C ATOM 680 CD GLN A 43 15.248 22.395 -7.568 1.00 23.23 C ATOM 681 OE1 GLN A 43 14.447 23.323 -7.683 1.00 24.03 O ATOM 682 NE2 GLN A 43 15.027 21.353 -6.775 1.00 24.12 N ATOM 0 H GLN A 43 19.344 23.466 -8.136 1.00 13.20 H new ATOM 0 HA GLN A 43 17.439 25.707 -8.195 1.00 34.04 H new ATOM 0 HB2 GLN A 43 15.975 24.250 -9.230 1.00 51.24 H new ATOM 0 HB3 GLN A 43 17.507 23.623 -9.807 1.00 51.24 H new ATOM 0 HG2 GLN A 43 16.490 21.666 -9.150 1.00 0.43 H new ATOM 0 HG3 GLN A 43 17.359 22.066 -7.683 1.00 0.43 H new ATOM 0 HE21 GLN A 43 15.718 20.606 -6.710 1.00 24.12 H new ATOM 0 HE22 GLN A 43 14.166 21.300 -6.231 1.00 24.12 H new ATOM 691 N LYS A 44 15.995 25.013 -6.183 1.00 41.24 N ATOM 692 CA LYS A 44 15.408 24.857 -4.858 1.00 0.21 C ATOM 693 C LYS A 44 13.943 24.445 -4.957 1.00 31.30 C ATOM 694 O LYS A 44 13.214 24.910 -5.835 1.00 23.25 O ATOM 695 CB LYS A 44 15.529 26.162 -4.067 1.00 63.31 C ATOM 696 CG LYS A 44 14.420 27.157 -4.362 1.00 5.01 C ATOM 697 CD LYS A 44 14.448 27.609 -5.812 1.00 74.45 C ATOM 698 CE LYS A 44 14.171 29.099 -5.938 1.00 2.05 C ATOM 699 NZ LYS A 44 15.411 29.908 -5.776 1.00 53.53 N ATOM 0 H LYS A 44 15.458 25.607 -6.814 1.00 41.24 H new ATOM 0 HA LYS A 44 15.954 24.071 -4.337 1.00 0.21 H new ATOM 0 HB2 LYS A 44 15.526 25.933 -3.001 1.00 63.31 H new ATOM 0 HB3 LYS A 44 16.490 26.625 -4.291 1.00 63.31 H new ATOM 0 HG2 LYS A 44 13.454 26.703 -4.140 1.00 5.01 H new ATOM 0 HG3 LYS A 44 14.523 28.023 -3.708 1.00 5.01 H new ATOM 0 HD2 LYS A 44 15.421 27.381 -6.246 1.00 74.45 H new ATOM 0 HD3 LYS A 44 13.706 27.051 -6.382 1.00 74.45 H new ATOM 0 HE2 LYS A 44 13.727 29.305 -6.912 1.00 2.05 H new ATOM 0 HE3 LYS A 44 13.441 29.398 -5.186 1.00 2.05 H new ATOM 0 HZ1 LYS A 44 15.181 30.918 -5.868 1.00 53.53 H new ATOM 0 HZ2 LYS A 44 15.821 29.731 -4.837 1.00 53.53 H new ATOM 0 HZ3 LYS A 44 16.098 29.641 -6.510 1.00 53.53 H new ATOM 713 N LEU A 45 13.517 23.571 -4.052 1.00 34.12 N ATOM 714 CA LEU A 45 12.137 23.097 -4.036 1.00 61.22 C ATOM 715 C LEU A 45 11.179 24.223 -3.663 1.00 15.04 C ATOM 716 O LEU A 45 11.436 24.990 -2.734 1.00 25.01 O ATOM 717 CB LEU A 45 11.987 21.936 -3.051 1.00 51.21 C ATOM 718 CG LEU A 45 12.573 20.596 -3.498 1.00 53.41 C ATOM 719 CD1 LEU A 45 12.019 20.198 -4.857 1.00 53.54 C ATOM 720 CD2 LEU A 45 14.092 20.666 -3.539 1.00 64.21 C ATOM 0 H LEU A 45 14.107 23.176 -3.320 1.00 34.12 H new ATOM 0 HA LEU A 45 11.886 22.749 -5.038 1.00 61.22 H new ATOM 0 HB2 LEU A 45 12.459 22.220 -2.111 1.00 51.21 H new ATOM 0 HB3 LEU A 45 10.926 21.795 -2.845 1.00 51.21 H new ATOM 0 HG LEU A 45 12.284 19.835 -2.774 1.00 53.41 H new ATOM 0 HD11 LEU A 45 12.447 19.242 -5.159 1.00 53.54 H new ATOM 0 HD12 LEU A 45 10.935 20.107 -4.795 1.00 53.54 H new ATOM 0 HD13 LEU A 45 12.278 20.960 -5.593 1.00 53.54 H new ATOM 0 HD21 LEU A 45 14.492 19.704 -3.859 1.00 64.21 H new ATOM 0 HD22 LEU A 45 14.402 21.440 -4.242 1.00 64.21 H new ATOM 0 HD23 LEU A 45 14.472 20.905 -2.546 1.00 64.21 H new ATOM 732 N LEU A 46 10.071 24.316 -4.390 1.00 70.22 N ATOM 733 CA LEU A 46 9.071 25.347 -4.134 1.00 45.11 C ATOM 734 C LEU A 46 8.096 24.903 -3.049 1.00 21.41 C ATOM 735 O LEU A 46 7.985 25.539 -2.002 1.00 31.54 O ATOM 736 CB LEU A 46 8.308 25.675 -5.418 1.00 41.45 C ATOM 737 CG LEU A 46 9.093 26.430 -6.492 1.00 3.55 C ATOM 738 CD1 LEU A 46 9.901 25.463 -7.342 1.00 73.45 C ATOM 739 CD2 LEU A 46 8.153 27.252 -7.361 1.00 61.15 C ATOM 0 H LEU A 46 9.842 23.690 -5.162 1.00 70.22 H new ATOM 0 HA LEU A 46 9.588 26.242 -3.787 1.00 45.11 H new ATOM 0 HB2 LEU A 46 7.946 24.742 -5.850 1.00 41.45 H new ATOM 0 HB3 LEU A 46 7.431 26.266 -5.155 1.00 41.45 H new ATOM 0 HG LEU A 46 9.786 27.111 -5.997 1.00 3.55 H new ATOM 0 HD11 LEU A 46 10.453 26.019 -8.100 1.00 73.45 H new ATOM 0 HD12 LEU A 46 10.602 24.920 -6.708 1.00 73.45 H new ATOM 0 HD13 LEU A 46 9.228 24.756 -7.828 1.00 73.45 H new ATOM 0 HD21 LEU A 46 8.729 27.782 -8.119 1.00 61.15 H new ATOM 0 HD22 LEU A 46 7.435 26.591 -7.847 1.00 61.15 H new ATOM 0 HD23 LEU A 46 7.620 27.973 -6.740 1.00 61.15 H new ATOM 751 N GLY A 47 7.392 23.804 -3.306 1.00 42.34 N ATOM 752 CA GLY A 47 6.437 23.292 -2.341 1.00 50.14 C ATOM 753 C GLY A 47 6.985 22.123 -1.547 1.00 43.22 C ATOM 754 O GLY A 47 6.351 21.071 -1.459 1.00 64.35 O ATOM 0 H GLY A 47 7.466 23.260 -4.165 1.00 42.34 H new ATOM 0 HA2 GLY A 47 6.153 24.091 -1.656 1.00 50.14 H new ATOM 0 HA3 GLY A 47 5.531 22.981 -2.861 1.00 50.14 H new ATOM 758 N LEU A 48 8.167 22.306 -0.968 1.00 72.13 N ATOM 759 CA LEU A 48 8.802 21.257 -0.178 1.00 70.21 C ATOM 760 C LEU A 48 7.875 20.775 0.933 1.00 75.22 C ATOM 761 O LEU A 48 7.983 19.641 1.399 1.00 25.42 O ATOM 762 CB LEU A 48 10.113 21.766 0.422 1.00 4.41 C ATOM 763 CG LEU A 48 10.004 22.990 1.333 1.00 61.21 C ATOM 764 CD1 LEU A 48 9.872 22.563 2.787 1.00 70.05 C ATOM 765 CD2 LEU A 48 11.210 23.900 1.150 1.00 54.31 C ATOM 0 H LEU A 48 8.705 23.171 -1.031 1.00 72.13 H new ATOM 0 HA LEU A 48 9.014 20.417 -0.839 1.00 70.21 H new ATOM 0 HB2 LEU A 48 10.569 20.955 0.990 1.00 4.41 H new ATOM 0 HB3 LEU A 48 10.794 22.005 -0.395 1.00 4.41 H new ATOM 0 HG LEU A 48 9.109 23.547 1.056 1.00 61.21 H new ATOM 0 HD11 LEU A 48 9.796 23.447 3.420 1.00 70.05 H new ATOM 0 HD12 LEU A 48 8.977 21.952 2.907 1.00 70.05 H new ATOM 0 HD13 LEU A 48 10.748 21.983 3.077 1.00 70.05 H new ATOM 0 HD21 LEU A 48 11.116 24.766 1.806 1.00 54.31 H new ATOM 0 HD22 LEU A 48 12.119 23.353 1.399 1.00 54.31 H new ATOM 0 HD23 LEU A 48 11.260 24.234 0.114 1.00 54.31 H new ATOM 777 N LYS A 49 6.960 21.643 1.351 1.00 1.14 N ATOM 778 CA LYS A 49 6.010 21.306 2.405 1.00 41.30 C ATOM 779 C LYS A 49 4.612 21.099 1.831 1.00 21.21 C ATOM 780 O LYS A 49 4.192 21.812 0.919 1.00 24.43 O ATOM 781 CB LYS A 49 5.979 22.410 3.464 1.00 4.24 C ATOM 782 CG LYS A 49 6.485 23.751 2.960 1.00 14.14 C ATOM 783 CD LYS A 49 6.255 24.853 3.981 1.00 23.24 C ATOM 784 CE LYS A 49 6.309 26.230 3.337 1.00 34.41 C ATOM 785 NZ LYS A 49 5.520 27.232 4.105 1.00 10.43 N ATOM 0 H LYS A 49 6.856 22.586 0.976 1.00 1.14 H new ATOM 0 HA LYS A 49 6.335 20.375 2.869 1.00 41.30 H new ATOM 0 HB2 LYS A 49 4.957 22.529 3.823 1.00 4.24 H new ATOM 0 HB3 LYS A 49 6.583 22.101 4.317 1.00 4.24 H new ATOM 0 HG2 LYS A 49 7.549 23.678 2.735 1.00 14.14 H new ATOM 0 HG3 LYS A 49 5.979 24.005 2.029 1.00 14.14 H new ATOM 0 HD2 LYS A 49 5.285 24.711 4.459 1.00 23.24 H new ATOM 0 HD3 LYS A 49 7.009 24.787 4.765 1.00 23.24 H new ATOM 0 HE2 LYS A 49 7.346 26.559 3.269 1.00 34.41 H new ATOM 0 HE3 LYS A 49 5.926 26.170 2.318 1.00 34.41 H new ATOM 0 HZ1 LYS A 49 5.582 28.157 3.634 1.00 10.43 H new ATOM 0 HZ2 LYS A 49 4.525 26.931 4.148 1.00 10.43 H new ATOM 0 HZ3 LYS A 49 5.901 27.308 5.070 1.00 10.43 H new ATOM 799 N VAL A 50 3.895 20.119 2.372 1.00 53.12 N ATOM 800 CA VAL A 50 2.543 19.820 1.915 1.00 33.22 C ATOM 801 C VAL A 50 1.652 19.394 3.077 1.00 51.31 C ATOM 802 O VAL A 50 2.106 18.736 4.014 1.00 54.54 O ATOM 803 CB VAL A 50 2.544 18.708 0.849 1.00 14.03 C ATOM 804 CG1 VAL A 50 1.152 18.532 0.260 1.00 23.22 C ATOM 805 CG2 VAL A 50 3.558 19.017 -0.241 1.00 61.13 C ATOM 0 H VAL A 50 4.228 19.519 3.127 1.00 53.12 H new ATOM 0 HA VAL A 50 2.148 20.735 1.474 1.00 33.22 H new ATOM 0 HB VAL A 50 2.832 17.771 1.326 1.00 14.03 H new ATOM 0 HG11 VAL A 50 1.172 17.742 -0.491 1.00 23.22 H new ATOM 0 HG12 VAL A 50 0.453 18.262 1.052 1.00 23.22 H new ATOM 0 HG13 VAL A 50 0.832 19.465 -0.203 1.00 23.22 H new ATOM 0 HG21 VAL A 50 3.545 18.221 -0.986 1.00 61.13 H new ATOM 0 HG22 VAL A 50 3.303 19.964 -0.717 1.00 61.13 H new ATOM 0 HG23 VAL A 50 4.553 19.088 0.198 1.00 61.13 H new ATOM 815 N LYS A 51 0.380 19.774 3.010 1.00 63.41 N ATOM 816 CA LYS A 51 -0.577 19.431 4.055 1.00 71.53 C ATOM 817 C LYS A 51 -0.075 19.881 5.423 1.00 44.45 C ATOM 818 O LYS A 51 -0.350 19.243 6.437 1.00 33.13 O ATOM 819 CB LYS A 51 -0.833 17.922 4.065 1.00 23.34 C ATOM 820 CG LYS A 51 -1.505 17.410 2.804 1.00 74.25 C ATOM 821 CD LYS A 51 -2.994 17.717 2.801 1.00 25.11 C ATOM 822 CE LYS A 51 -3.817 16.488 3.154 1.00 21.35 C ATOM 823 NZ LYS A 51 -4.501 15.916 1.961 1.00 3.43 N ATOM 0 H LYS A 51 -0.012 20.320 2.242 1.00 63.41 H new ATOM 0 HA LYS A 51 -1.511 19.951 3.842 1.00 71.53 H new ATOM 0 HB2 LYS A 51 0.116 17.402 4.197 1.00 23.34 H new ATOM 0 HB3 LYS A 51 -1.455 17.673 4.925 1.00 23.34 H new ATOM 0 HG2 LYS A 51 -1.037 17.865 1.931 1.00 74.25 H new ATOM 0 HG3 LYS A 51 -1.354 16.334 2.722 1.00 74.25 H new ATOM 0 HD2 LYS A 51 -3.204 18.514 3.515 1.00 25.11 H new ATOM 0 HD3 LYS A 51 -3.289 18.084 1.818 1.00 25.11 H new ATOM 0 HE2 LYS A 51 -3.169 15.732 3.598 1.00 21.35 H new ATOM 0 HE3 LYS A 51 -4.560 16.752 3.906 1.00 21.35 H new ATOM 0 HZ1 LYS A 51 -5.051 15.080 2.244 1.00 3.43 H new ATOM 0 HZ2 LYS A 51 -5.139 16.628 1.552 1.00 3.43 H new ATOM 0 HZ3 LYS A 51 -3.791 15.640 1.253 1.00 3.43 H new ATOM 837 N GLY A 52 0.664 20.987 5.442 1.00 53.10 N ATOM 838 CA GLY A 52 1.191 21.505 6.691 1.00 64.22 C ATOM 839 C GLY A 52 2.503 20.853 7.081 1.00 62.25 C ATOM 840 O GLY A 52 3.215 21.346 7.956 1.00 52.12 O ATOM 0 H GLY A 52 0.907 21.533 4.615 1.00 53.10 H new ATOM 0 HA2 GLY A 52 1.336 22.582 6.602 1.00 64.22 H new ATOM 0 HA3 GLY A 52 0.460 21.346 7.484 1.00 64.22 H new ATOM 844 N LYS A 53 2.825 19.739 6.431 1.00 55.32 N ATOM 845 CA LYS A 53 4.059 19.017 6.714 1.00 42.14 C ATOM 846 C LYS A 53 5.240 19.654 5.988 1.00 63.31 C ATOM 847 O LYS A 53 5.102 20.217 4.902 1.00 60.22 O ATOM 848 CB LYS A 53 3.923 17.550 6.299 1.00 52.30 C ATOM 849 CG LYS A 53 2.995 16.749 7.196 1.00 63.53 C ATOM 850 CD LYS A 53 3.525 16.670 8.618 1.00 51.12 C ATOM 851 CE LYS A 53 3.536 15.238 9.130 1.00 2.01 C ATOM 852 NZ LYS A 53 4.290 15.112 10.408 1.00 13.24 N ATOM 0 H LYS A 53 2.247 19.317 5.704 1.00 55.32 H new ATOM 0 HA LYS A 53 4.243 19.069 7.787 1.00 42.14 H new ATOM 0 HB2 LYS A 53 3.554 17.503 5.274 1.00 52.30 H new ATOM 0 HB3 LYS A 53 4.910 17.086 6.304 1.00 52.30 H new ATOM 0 HG2 LYS A 53 2.006 17.208 7.200 1.00 63.53 H new ATOM 0 HG3 LYS A 53 2.878 15.743 6.794 1.00 63.53 H new ATOM 0 HD2 LYS A 53 4.535 17.078 8.654 1.00 51.12 H new ATOM 0 HD3 LYS A 53 2.908 17.287 9.272 1.00 51.12 H new ATOM 0 HE2 LYS A 53 2.511 14.897 9.278 1.00 2.01 H new ATOM 0 HE3 LYS A 53 3.983 14.587 8.379 1.00 2.01 H new ATOM 0 HZ1 LYS A 53 4.274 14.121 10.724 1.00 13.24 H new ATOM 0 HZ2 LYS A 53 5.275 15.413 10.261 1.00 13.24 H new ATOM 0 HZ3 LYS A 53 3.848 15.714 11.132 1.00 13.24 H new ATOM 866 N PRO A 54 6.431 19.562 6.599 1.00 14.44 N ATOM 867 CA PRO A 54 7.659 20.122 6.028 1.00 41.01 C ATOM 868 C PRO A 54 8.125 19.358 4.793 1.00 33.23 C ATOM 869 O PRO A 54 8.662 19.945 3.854 1.00 33.34 O ATOM 870 CB PRO A 54 8.676 19.976 7.162 1.00 4.23 C ATOM 871 CG PRO A 54 8.169 18.841 7.983 1.00 52.22 C ATOM 872 CD PRO A 54 6.669 18.905 7.895 1.00 10.34 C ATOM 0 HA PRO A 54 7.520 21.149 5.691 1.00 41.01 H new ATOM 0 HB2 PRO A 54 9.674 19.769 6.775 1.00 4.23 H new ATOM 0 HB3 PRO A 54 8.746 20.890 7.751 1.00 4.23 H new ATOM 0 HG2 PRO A 54 8.542 17.889 7.605 1.00 52.22 H new ATOM 0 HG3 PRO A 54 8.503 18.927 9.017 1.00 52.22 H new ATOM 0 HD2 PRO A 54 6.222 17.912 7.930 1.00 10.34 H new ATOM 0 HD3 PRO A 54 6.242 19.476 8.719 1.00 10.34 H new ATOM 880 N ALA A 55 7.915 18.045 4.801 1.00 12.53 N ATOM 881 CA ALA A 55 8.311 17.202 3.681 1.00 70.42 C ATOM 882 C ALA A 55 9.632 17.670 3.081 1.00 41.54 C ATOM 883 O ALA A 55 9.794 17.700 1.861 1.00 11.02 O ATOM 884 CB ALA A 55 7.222 17.189 2.619 1.00 75.03 C ATOM 0 H ALA A 55 7.473 17.543 5.571 1.00 12.53 H new ATOM 0 HA ALA A 55 8.451 16.188 4.054 1.00 70.42 H new ATOM 0 HB1 ALA A 55 7.532 16.555 1.788 1.00 75.03 H new ATOM 0 HB2 ALA A 55 6.299 16.799 3.049 1.00 75.03 H new ATOM 0 HB3 ALA A 55 7.054 18.204 2.258 1.00 75.03 H new ATOM 890 N GLU A 56 10.573 18.037 3.946 1.00 71.55 N ATOM 891 CA GLU A 56 11.879 18.506 3.499 1.00 64.51 C ATOM 892 C GLU A 56 12.708 17.354 2.938 1.00 63.34 C ATOM 893 O GLU A 56 12.846 17.209 1.724 1.00 65.51 O ATOM 894 CB GLU A 56 12.629 19.172 4.654 1.00 0.23 C ATOM 895 CG GLU A 56 14.048 19.584 4.302 1.00 43.33 C ATOM 896 CD GLU A 56 14.273 21.078 4.439 1.00 63.41 C ATOM 897 OE1 GLU A 56 13.714 21.840 3.623 1.00 20.13 O ATOM 898 OE2 GLU A 56 15.009 21.484 5.363 1.00 61.41 O ATOM 0 H GLU A 56 10.455 18.018 4.959 1.00 71.55 H new ATOM 0 HA GLU A 56 11.722 19.238 2.707 1.00 64.51 H new ATOM 0 HB2 GLU A 56 12.074 20.053 4.977 1.00 0.23 H new ATOM 0 HB3 GLU A 56 12.658 18.486 5.500 1.00 0.23 H new ATOM 0 HG2 GLU A 56 14.747 19.054 4.949 1.00 43.33 H new ATOM 0 HG3 GLU A 56 14.267 19.280 3.279 1.00 43.33 H new ATOM 905 N ASN A 57 13.258 16.538 3.831 1.00 21.22 N ATOM 906 CA ASN A 57 14.075 15.399 3.426 1.00 14.31 C ATOM 907 C ASN A 57 13.991 14.276 4.455 1.00 15.11 C ATOM 908 O ASN A 57 13.936 13.098 4.101 1.00 51.35 O ATOM 909 CB ASN A 57 15.531 15.830 3.242 1.00 23.41 C ATOM 910 CG ASN A 57 15.942 16.915 4.219 1.00 35.50 C ATOM 911 OD1 ASN A 57 15.642 16.838 5.411 1.00 63.33 O ATOM 912 ND2 ASN A 57 16.630 17.933 3.717 1.00 23.10 N ATOM 0 H ASN A 57 13.153 16.644 4.840 1.00 21.22 H new ATOM 0 HA ASN A 57 13.690 15.027 2.477 1.00 14.31 H new ATOM 0 HB2 ASN A 57 16.182 14.965 3.369 1.00 23.41 H new ATOM 0 HB3 ASN A 57 15.674 16.189 2.223 1.00 23.41 H new ATOM 0 HD21 ASN A 57 16.933 18.694 4.326 1.00 23.10 H new ATOM 0 HD22 ASN A 57 16.856 17.955 2.723 1.00 23.10 H new ATOM 919 N ASP A 58 13.980 14.649 5.730 1.00 20.10 N ATOM 920 CA ASP A 58 13.901 13.674 6.811 1.00 32.53 C ATOM 921 C ASP A 58 12.508 13.056 6.885 1.00 71.32 C ATOM 922 O ASP A 58 12.251 12.173 7.704 1.00 64.25 O ATOM 923 CB ASP A 58 14.252 14.331 8.147 1.00 52.22 C ATOM 924 CG ASP A 58 15.728 14.657 8.261 1.00 11.23 C ATOM 925 OD1 ASP A 58 16.478 14.353 7.310 1.00 13.43 O ATOM 926 OD2 ASP A 58 16.134 15.215 9.302 1.00 14.55 O ATOM 0 H ASP A 58 14.025 15.620 6.040 1.00 20.10 H new ATOM 0 HA ASP A 58 14.620 12.882 6.605 1.00 32.53 H new ATOM 0 HB2 ASP A 58 13.671 15.246 8.263 1.00 52.22 H new ATOM 0 HB3 ASP A 58 13.966 13.666 8.962 1.00 52.22 H new ATOM 931 N VAL A 59 11.611 13.527 6.024 1.00 31.23 N ATOM 932 CA VAL A 59 10.244 13.021 5.991 1.00 31.15 C ATOM 933 C VAL A 59 10.084 11.937 4.931 1.00 3.03 C ATOM 934 O VAL A 59 10.740 11.970 3.890 1.00 54.24 O ATOM 935 CB VAL A 59 9.234 14.150 5.712 1.00 62.03 C ATOM 936 CG1 VAL A 59 7.932 13.899 6.457 1.00 61.24 C ATOM 937 CG2 VAL A 59 9.825 15.499 6.093 1.00 32.14 C ATOM 0 H VAL A 59 11.807 14.258 5.340 1.00 31.23 H new ATOM 0 HA VAL A 59 10.040 12.596 6.974 1.00 31.15 H new ATOM 0 HB VAL A 59 9.016 14.163 4.644 1.00 62.03 H new ATOM 0 HG11 VAL A 59 7.231 14.707 6.247 1.00 61.24 H new ATOM 0 HG12 VAL A 59 7.502 12.952 6.130 1.00 61.24 H new ATOM 0 HG13 VAL A 59 8.128 13.858 7.528 1.00 61.24 H new ATOM 0 HG21 VAL A 59 9.098 16.285 5.889 1.00 32.14 H new ATOM 0 HG22 VAL A 59 10.074 15.501 7.154 1.00 32.14 H new ATOM 0 HG23 VAL A 59 10.727 15.679 5.509 1.00 32.14 H new ATOM 947 N LYS A 60 9.208 10.976 5.203 1.00 21.22 N ATOM 948 CA LYS A 60 8.959 9.881 4.273 1.00 44.13 C ATOM 949 C LYS A 60 7.773 10.196 3.367 1.00 20.21 C ATOM 950 O LYS A 60 6.842 10.896 3.767 1.00 32.23 O ATOM 951 CB LYS A 60 8.699 8.582 5.039 1.00 2.31 C ATOM 952 CG LYS A 60 9.948 7.985 5.665 1.00 74.55 C ATOM 953 CD LYS A 60 9.916 6.466 5.630 1.00 64.25 C ATOM 954 CE LYS A 60 10.882 5.865 6.639 1.00 4.02 C ATOM 955 NZ LYS A 60 10.784 4.380 6.686 1.00 73.15 N ATOM 0 H LYS A 60 8.658 10.933 6.061 1.00 21.22 H new ATOM 0 HA LYS A 60 9.846 9.757 3.651 1.00 44.13 H new ATOM 0 HB2 LYS A 60 7.966 8.773 5.822 1.00 2.31 H new ATOM 0 HB3 LYS A 60 8.258 7.852 4.360 1.00 2.31 H new ATOM 0 HG2 LYS A 60 10.830 8.344 5.134 1.00 74.55 H new ATOM 0 HG3 LYS A 60 10.037 8.325 6.697 1.00 74.55 H new ATOM 0 HD2 LYS A 60 8.905 6.117 5.840 1.00 64.25 H new ATOM 0 HD3 LYS A 60 10.171 6.119 4.629 1.00 64.25 H new ATOM 0 HE2 LYS A 60 11.901 6.153 6.382 1.00 4.02 H new ATOM 0 HE3 LYS A 60 10.675 6.274 7.628 1.00 4.02 H new ATOM 0 HZ1 LYS A 60 11.396 4.016 7.444 1.00 73.15 H new ATOM 0 HZ2 LYS A 60 9.799 4.103 6.873 1.00 73.15 H new ATOM 0 HZ3 LYS A 60 11.088 3.983 5.774 1.00 73.15 H new ATOM 969 N LEU A 61 7.812 9.674 2.146 1.00 31.22 N ATOM 970 CA LEU A 61 6.739 9.898 1.184 1.00 73.23 C ATOM 971 C LEU A 61 5.382 9.553 1.790 1.00 4.15 C ATOM 972 O LEU A 61 4.395 10.251 1.565 1.00 13.14 O ATOM 973 CB LEU A 61 6.974 9.062 -0.076 1.00 0.41 C ATOM 974 CG LEU A 61 8.399 9.072 -0.631 1.00 74.03 C ATOM 975 CD1 LEU A 61 8.468 8.293 -1.935 1.00 64.34 C ATOM 976 CD2 LEU A 61 8.882 10.500 -0.835 1.00 10.50 C ATOM 0 H LEU A 61 8.575 9.093 1.799 1.00 31.22 H new ATOM 0 HA LEU A 61 6.739 10.955 0.918 1.00 73.23 H new ATOM 0 HB2 LEU A 61 6.697 8.030 0.140 1.00 0.41 H new ATOM 0 HB3 LEU A 61 6.299 9.417 -0.855 1.00 0.41 H new ATOM 0 HG LEU A 61 9.054 8.588 0.093 1.00 74.03 H new ATOM 0 HD11 LEU A 61 9.489 8.311 -2.316 1.00 64.34 H new ATOM 0 HD12 LEU A 61 8.164 7.261 -1.759 1.00 64.34 H new ATOM 0 HD13 LEU A 61 7.800 8.748 -2.666 1.00 64.34 H new ATOM 0 HD21 LEU A 61 9.898 10.488 -1.230 1.00 10.50 H new ATOM 0 HD22 LEU A 61 8.225 11.009 -1.540 1.00 10.50 H new ATOM 0 HD23 LEU A 61 8.870 11.028 0.119 1.00 10.50 H new ATOM 988 N GLY A 62 5.343 8.472 2.563 1.00 20.24 N ATOM 989 CA GLY A 62 4.104 8.054 3.193 1.00 53.54 C ATOM 990 C GLY A 62 3.731 8.927 4.374 1.00 11.35 C ATOM 991 O GLY A 62 2.588 8.910 4.831 1.00 4.32 O ATOM 0 H GLY A 62 6.147 7.878 2.764 1.00 20.24 H new ATOM 0 HA2 GLY A 62 3.300 8.080 2.458 1.00 53.54 H new ATOM 0 HA3 GLY A 62 4.200 7.020 3.525 1.00 53.54 H new ATOM 995 N ALA A 63 4.698 9.691 4.872 1.00 12.21 N ATOM 996 CA ALA A 63 4.465 10.575 6.008 1.00 61.31 C ATOM 997 C ALA A 63 3.890 11.912 5.554 1.00 11.13 C ATOM 998 O ALA A 63 3.296 12.645 6.346 1.00 32.14 O ATOM 999 CB ALA A 63 5.757 10.789 6.783 1.00 52.20 C ATOM 0 H ALA A 63 5.650 9.716 4.507 1.00 12.21 H new ATOM 0 HA ALA A 63 3.735 10.100 6.664 1.00 61.31 H new ATOM 0 HB1 ALA A 63 5.569 11.451 7.628 1.00 52.20 H new ATOM 0 HB2 ALA A 63 6.126 9.830 7.148 1.00 52.20 H new ATOM 0 HB3 ALA A 63 6.503 11.239 6.129 1.00 52.20 H new ATOM 1005 N LEU A 64 4.070 12.225 4.276 1.00 42.20 N ATOM 1006 CA LEU A 64 3.569 13.476 3.717 1.00 62.14 C ATOM 1007 C LEU A 64 2.112 13.336 3.290 1.00 54.35 C ATOM 1008 O LEU A 64 1.404 14.330 3.123 1.00 60.13 O ATOM 1009 CB LEU A 64 4.424 13.902 2.522 1.00 61.44 C ATOM 1010 CG LEU A 64 5.852 13.355 2.489 1.00 73.10 C ATOM 1011 CD1 LEU A 64 6.527 13.704 1.172 1.00 41.31 C ATOM 1012 CD2 LEU A 64 6.656 13.894 3.663 1.00 43.24 C ATOM 0 H LEU A 64 4.559 11.630 3.607 1.00 42.20 H new ATOM 0 HA LEU A 64 3.630 14.241 4.491 1.00 62.14 H new ATOM 0 HB2 LEU A 64 3.916 13.592 1.609 1.00 61.44 H new ATOM 0 HB3 LEU A 64 4.473 14.991 2.506 1.00 61.44 H new ATOM 0 HG LEU A 64 5.807 12.269 2.573 1.00 73.10 H new ATOM 0 HD11 LEU A 64 7.542 13.307 1.167 1.00 41.31 H new ATOM 0 HD12 LEU A 64 5.963 13.269 0.347 1.00 41.31 H new ATOM 0 HD13 LEU A 64 6.561 14.787 1.056 1.00 41.31 H new ATOM 0 HD21 LEU A 64 7.669 13.495 3.624 1.00 43.24 H new ATOM 0 HD22 LEU A 64 6.692 14.982 3.610 1.00 43.24 H new ATOM 0 HD23 LEU A 64 6.183 13.592 4.597 1.00 43.24 H new ATOM 1024 N LYS A 65 1.668 12.096 3.116 1.00 54.00 N ATOM 1025 CA LYS A 65 0.293 11.824 2.712 1.00 42.40 C ATOM 1026 C LYS A 65 -0.074 12.619 1.463 1.00 62.13 C ATOM 1027 O LYS A 65 -1.168 13.177 1.369 1.00 43.51 O ATOM 1028 CB LYS A 65 -0.672 12.167 3.849 1.00 3.32 C ATOM 1029 CG LYS A 65 -0.259 11.589 5.192 1.00 52.31 C ATOM 1030 CD LYS A 65 -0.271 10.070 5.172 1.00 34.04 C ATOM 1031 CE LYS A 65 0.188 9.492 6.502 1.00 32.22 C ATOM 1032 NZ LYS A 65 -0.947 9.308 7.449 1.00 51.33 N ATOM 0 H LYS A 65 2.241 11.262 3.248 1.00 54.00 H new ATOM 0 HA LYS A 65 0.212 10.762 2.483 1.00 42.40 H new ATOM 0 HB2 LYS A 65 -0.746 13.251 3.937 1.00 3.32 H new ATOM 0 HB3 LYS A 65 -1.666 11.799 3.594 1.00 3.32 H new ATOM 0 HG2 LYS A 65 0.739 11.943 5.450 1.00 52.31 H new ATOM 0 HG3 LYS A 65 -0.935 11.949 5.968 1.00 52.31 H new ATOM 0 HD2 LYS A 65 -1.277 9.716 4.948 1.00 34.04 H new ATOM 0 HD3 LYS A 65 0.379 9.710 4.374 1.00 34.04 H new ATOM 0 HE2 LYS A 65 0.678 8.533 6.332 1.00 32.22 H new ATOM 0 HE3 LYS A 65 0.930 10.154 6.949 1.00 32.22 H new ATOM 0 HZ1 LYS A 65 -0.592 8.912 8.343 1.00 51.33 H new ATOM 0 HZ2 LYS A 65 -1.399 10.227 7.632 1.00 51.33 H new ATOM 0 HZ3 LYS A 65 -1.643 8.656 7.034 1.00 51.33 H new ATOM 1046 N LEU A 66 0.846 12.665 0.505 1.00 75.41 N ATOM 1047 CA LEU A 66 0.618 13.390 -0.740 1.00 72.32 C ATOM 1048 C LEU A 66 0.008 12.476 -1.799 1.00 13.34 C ATOM 1049 O LEU A 66 0.200 11.261 -1.771 1.00 22.51 O ATOM 1050 CB LEU A 66 1.931 13.981 -1.256 1.00 54.43 C ATOM 1051 CG LEU A 66 2.070 15.500 -1.149 1.00 43.31 C ATOM 1052 CD1 LEU A 66 3.419 15.952 -1.689 1.00 34.35 C ATOM 1053 CD2 LEU A 66 0.937 16.194 -1.892 1.00 24.33 C ATOM 0 H LEU A 66 1.756 12.209 0.567 1.00 75.41 H new ATOM 0 HA LEU A 66 -0.083 14.199 -0.537 1.00 72.32 H new ATOM 0 HB2 LEU A 66 2.754 13.521 -0.708 1.00 54.43 H new ATOM 0 HB3 LEU A 66 2.047 13.698 -2.302 1.00 54.43 H new ATOM 0 HG LEU A 66 2.011 15.777 -0.097 1.00 43.31 H new ATOM 0 HD11 LEU A 66 3.500 17.036 -1.605 1.00 34.35 H new ATOM 0 HD12 LEU A 66 4.217 15.483 -1.114 1.00 34.35 H new ATOM 0 HD13 LEU A 66 3.508 15.662 -2.736 1.00 34.35 H new ATOM 0 HD21 LEU A 66 1.053 17.274 -1.805 1.00 24.33 H new ATOM 0 HD22 LEU A 66 0.964 15.910 -2.944 1.00 24.33 H new ATOM 0 HD23 LEU A 66 -0.018 15.895 -1.460 1.00 24.33 H new ATOM 1065 N LYS A 67 -0.727 13.070 -2.733 1.00 15.15 N ATOM 1066 CA LYS A 67 -1.364 12.312 -3.803 1.00 65.22 C ATOM 1067 C LYS A 67 -0.321 11.741 -4.759 1.00 20.51 C ATOM 1068 O LYS A 67 0.812 12.215 -4.835 1.00 44.33 O ATOM 1069 CB LYS A 67 -2.344 13.200 -4.573 1.00 3.24 C ATOM 1070 CG LYS A 67 -3.798 12.965 -4.202 1.00 63.21 C ATOM 1071 CD LYS A 67 -4.425 14.205 -3.588 1.00 5.22 C ATOM 1072 CE LYS A 67 -5.598 13.849 -2.688 1.00 54.34 C ATOM 1073 NZ LYS A 67 -6.774 14.730 -2.936 1.00 24.12 N ATOM 0 H LYS A 67 -0.896 14.075 -2.770 1.00 15.15 H new ATOM 0 HA LYS A 67 -1.911 11.484 -3.352 1.00 65.22 H new ATOM 0 HB2 LYS A 67 -2.095 14.245 -4.390 1.00 3.24 H new ATOM 0 HB3 LYS A 67 -2.217 13.025 -5.641 1.00 3.24 H new ATOM 0 HG2 LYS A 67 -4.359 12.675 -5.091 1.00 63.21 H new ATOM 0 HG3 LYS A 67 -3.865 12.136 -3.498 1.00 63.21 H new ATOM 0 HD2 LYS A 67 -3.674 14.746 -3.012 1.00 5.22 H new ATOM 0 HD3 LYS A 67 -4.762 14.874 -4.380 1.00 5.22 H new ATOM 0 HE2 LYS A 67 -5.881 12.810 -2.854 1.00 54.34 H new ATOM 0 HE3 LYS A 67 -5.294 13.934 -1.645 1.00 54.34 H new ATOM 0 HZ1 LYS A 67 -7.553 14.456 -2.303 1.00 24.12 H new ATOM 0 HZ2 LYS A 67 -6.511 15.719 -2.753 1.00 24.12 H new ATOM 0 HZ3 LYS A 67 -7.080 14.630 -3.925 1.00 24.12 H new ATOM 1087 N PRO A 68 -0.711 10.698 -5.507 1.00 71.20 N ATOM 1088 CA PRO A 68 0.175 10.041 -6.473 1.00 12.02 C ATOM 1089 C PRO A 68 0.471 10.923 -7.681 1.00 75.11 C ATOM 1090 O PRO A 68 1.584 10.922 -8.204 1.00 71.13 O ATOM 1091 CB PRO A 68 -0.618 8.802 -6.896 1.00 53.23 C ATOM 1092 CG PRO A 68 -2.044 9.167 -6.663 1.00 23.12 C ATOM 1093 CD PRO A 68 -2.047 10.080 -5.468 1.00 52.01 C ATOM 0 HA PRO A 68 1.150 9.813 -6.043 1.00 12.02 H new ATOM 0 HB2 PRO A 68 -0.438 8.555 -7.942 1.00 53.23 H new ATOM 0 HB3 PRO A 68 -0.332 7.929 -6.309 1.00 53.23 H new ATOM 0 HG2 PRO A 68 -2.467 9.665 -7.536 1.00 23.12 H new ATOM 0 HG3 PRO A 68 -2.649 8.279 -6.478 1.00 23.12 H new ATOM 0 HD2 PRO A 68 -2.838 10.827 -5.535 1.00 52.01 H new ATOM 0 HD3 PRO A 68 -2.208 9.529 -4.542 1.00 52.01 H new ATOM 1101 N ASN A 69 -0.534 11.675 -8.119 1.00 40.01 N ATOM 1102 CA ASN A 69 -0.381 12.562 -9.267 1.00 2.04 C ATOM 1103 C ASN A 69 0.328 13.852 -8.866 1.00 45.01 C ATOM 1104 O ASN A 69 0.820 14.594 -9.717 1.00 54.42 O ATOM 1105 CB ASN A 69 -1.748 12.886 -9.873 1.00 64.44 C ATOM 1106 CG ASN A 69 -2.648 13.629 -8.906 1.00 35.41 C ATOM 1107 OD1 ASN A 69 -2.553 14.848 -8.762 1.00 63.54 O ATOM 1108 ND2 ASN A 69 -3.530 12.895 -8.236 1.00 62.01 N ATOM 0 H ASN A 69 -1.462 11.688 -7.697 1.00 40.01 H new ATOM 0 HA ASN A 69 0.227 12.050 -10.012 1.00 2.04 H new ATOM 0 HB2 ASN A 69 -1.611 13.487 -10.772 1.00 64.44 H new ATOM 0 HB3 ASN A 69 -2.235 11.960 -10.180 1.00 64.44 H new ATOM 0 HD21 ASN A 69 -4.163 13.339 -7.571 1.00 62.01 H new ATOM 0 HD22 ASN A 69 -3.574 11.887 -8.387 1.00 62.01 H new ATOM 1115 N THR A 70 0.379 14.113 -7.563 1.00 42.45 N ATOM 1116 CA THR A 70 1.027 15.313 -7.049 1.00 45.13 C ATOM 1117 C THR A 70 2.197 15.729 -7.935 1.00 32.44 C ATOM 1118 O THR A 70 3.034 14.904 -8.303 1.00 52.32 O ATOM 1119 CB THR A 70 1.537 15.104 -5.611 1.00 34.23 C ATOM 1120 OG1 THR A 70 0.433 14.862 -4.731 1.00 21.32 O ATOM 1121 CG2 THR A 70 2.317 16.318 -5.131 1.00 3.21 C ATOM 0 H THR A 70 -0.021 13.509 -6.845 1.00 42.45 H new ATOM 0 HA THR A 70 0.275 16.102 -7.049 1.00 45.13 H new ATOM 0 HB THR A 70 2.202 14.240 -5.607 1.00 34.23 H new ATOM 0 HG1 THR A 70 -0.174 15.632 -4.748 1.00 21.32 H new ATOM 0 HG21 THR A 70 2.667 16.147 -4.113 1.00 3.21 H new ATOM 0 HG22 THR A 70 3.173 16.483 -5.786 1.00 3.21 H new ATOM 0 HG23 THR A 70 1.671 17.196 -5.150 1.00 3.21 H new ATOM 1129 N LYS A 71 2.250 17.012 -8.273 1.00 13.41 N ATOM 1130 CA LYS A 71 3.318 17.539 -9.114 1.00 10.21 C ATOM 1131 C LYS A 71 4.361 18.271 -8.275 1.00 35.24 C ATOM 1132 O LYS A 71 4.031 18.901 -7.269 1.00 74.15 O ATOM 1133 CB LYS A 71 2.743 18.485 -10.171 1.00 5.00 C ATOM 1134 CG LYS A 71 1.494 17.952 -10.850 1.00 31.42 C ATOM 1135 CD LYS A 71 0.246 18.668 -10.363 1.00 14.11 C ATOM 1136 CE LYS A 71 -0.149 19.799 -11.300 1.00 52.21 C ATOM 1137 NZ LYS A 71 -1.516 19.605 -11.859 1.00 63.11 N ATOM 0 H LYS A 71 1.565 17.707 -7.977 1.00 13.41 H new ATOM 0 HA LYS A 71 3.802 16.699 -9.612 1.00 10.21 H new ATOM 0 HB2 LYS A 71 2.511 19.442 -9.703 1.00 5.00 H new ATOM 0 HB3 LYS A 71 3.504 18.676 -10.928 1.00 5.00 H new ATOM 0 HG2 LYS A 71 1.586 18.073 -11.929 1.00 31.42 H new ATOM 0 HG3 LYS A 71 1.401 16.884 -10.656 1.00 31.42 H new ATOM 0 HD2 LYS A 71 -0.576 17.956 -10.284 1.00 14.11 H new ATOM 0 HD3 LYS A 71 0.420 19.066 -9.363 1.00 14.11 H new ATOM 0 HE2 LYS A 71 -0.107 20.747 -10.763 1.00 52.21 H new ATOM 0 HE3 LYS A 71 0.571 19.863 -12.116 1.00 52.21 H new ATOM 0 HZ1 LYS A 71 -1.748 20.397 -12.492 1.00 63.11 H new ATOM 0 HZ2 LYS A 71 -1.549 18.713 -12.393 1.00 63.11 H new ATOM 0 HZ3 LYS A 71 -2.207 19.569 -11.082 1.00 63.11 H new ATOM 1151 N ILE A 72 5.618 18.184 -8.694 1.00 62.03 N ATOM 1152 CA ILE A 72 6.708 18.840 -7.982 1.00 53.22 C ATOM 1153 C ILE A 72 7.354 19.921 -8.842 1.00 13.54 C ATOM 1154 O ILE A 72 7.731 19.675 -9.987 1.00 13.31 O ATOM 1155 CB ILE A 72 7.787 17.830 -7.551 1.00 2.04 C ATOM 1156 CG1 ILE A 72 7.162 16.703 -6.726 1.00 12.32 C ATOM 1157 CG2 ILE A 72 8.881 18.530 -6.758 1.00 12.02 C ATOM 1158 CD1 ILE A 72 6.410 17.192 -5.508 1.00 34.12 C ATOM 0 H ILE A 72 5.908 17.666 -9.523 1.00 62.03 H new ATOM 0 HA ILE A 72 6.274 19.297 -7.093 1.00 53.22 H new ATOM 0 HB ILE A 72 8.234 17.395 -8.445 1.00 2.04 H new ATOM 0 HG12 ILE A 72 6.481 16.134 -7.359 1.00 12.32 H new ATOM 0 HG13 ILE A 72 7.948 16.018 -6.407 1.00 12.32 H new ATOM 0 HG21 ILE A 72 9.637 17.803 -6.460 1.00 12.02 H new ATOM 0 HG22 ILE A 72 9.342 19.300 -7.376 1.00 12.02 H new ATOM 0 HG23 ILE A 72 8.449 18.989 -5.869 1.00 12.02 H new ATOM 0 HD11 ILE A 72 5.994 16.340 -4.971 1.00 34.12 H new ATOM 0 HD12 ILE A 72 7.091 17.736 -4.854 1.00 34.12 H new ATOM 0 HD13 ILE A 72 5.602 17.854 -5.821 1.00 34.12 H new ATOM 1170 N MET A 73 7.480 21.119 -8.280 1.00 13.30 N ATOM 1171 CA MET A 73 8.084 22.238 -8.994 1.00 55.23 C ATOM 1172 C MET A 73 9.540 22.426 -8.580 1.00 35.32 C ATOM 1173 O MET A 73 9.886 22.271 -7.409 1.00 52.21 O ATOM 1174 CB MET A 73 7.297 23.523 -8.731 1.00 54.51 C ATOM 1175 CG MET A 73 5.885 23.497 -9.293 1.00 55.43 C ATOM 1176 SD MET A 73 4.826 24.766 -8.571 1.00 32.41 S ATOM 1177 CE MET A 73 3.293 23.859 -8.380 1.00 71.24 C ATOM 0 H MET A 73 7.172 21.340 -7.333 1.00 13.30 H new ATOM 0 HA MET A 73 8.054 22.014 -10.060 1.00 55.23 H new ATOM 0 HB2 MET A 73 7.248 23.696 -7.656 1.00 54.51 H new ATOM 0 HB3 MET A 73 7.836 24.365 -9.165 1.00 54.51 H new ATOM 0 HG2 MET A 73 5.926 23.635 -10.373 1.00 55.43 H new ATOM 0 HG3 MET A 73 5.445 22.516 -9.113 1.00 55.43 H new ATOM 0 HE1 MET A 73 2.536 24.511 -7.943 1.00 71.24 H new ATOM 0 HE2 MET A 73 2.953 23.510 -9.355 1.00 71.24 H new ATOM 0 HE3 MET A 73 3.456 23.003 -7.725 1.00 71.24 H new ATOM 1187 N MET A 74 10.387 22.759 -9.547 1.00 64.04 N ATOM 1188 CA MET A 74 11.806 22.968 -9.281 1.00 51.24 C ATOM 1189 C MET A 74 12.319 24.207 -10.009 1.00 15.12 C ATOM 1190 O MET A 74 12.314 24.262 -11.238 1.00 44.22 O ATOM 1191 CB MET A 74 12.613 21.741 -9.709 1.00 22.12 C ATOM 1192 CG MET A 74 12.082 20.435 -9.140 1.00 12.54 C ATOM 1193 SD MET A 74 12.638 18.995 -10.070 1.00 75.43 S ATOM 1194 CE MET A 74 13.342 17.996 -8.760 1.00 53.44 C ATOM 0 H MET A 74 10.117 22.890 -10.522 1.00 64.04 H new ATOM 0 HA MET A 74 11.930 23.120 -8.209 1.00 51.24 H new ATOM 0 HB2 MET A 74 12.615 21.679 -10.797 1.00 22.12 H new ATOM 0 HB3 MET A 74 13.649 21.870 -9.395 1.00 22.12 H new ATOM 0 HG2 MET A 74 12.402 20.338 -8.103 1.00 12.54 H new ATOM 0 HG3 MET A 74 10.992 20.461 -9.136 1.00 12.54 H new ATOM 0 HE1 MET A 74 13.777 17.092 -9.186 1.00 53.44 H new ATOM 0 HE2 MET A 74 14.117 18.564 -8.245 1.00 53.44 H new ATOM 0 HE3 MET A 74 12.561 17.723 -8.051 1.00 53.44 H new ATOM 1204 N MET A 75 12.759 25.199 -9.241 1.00 72.33 N ATOM 1205 CA MET A 75 13.275 26.436 -9.814 1.00 43.41 C ATOM 1206 C MET A 75 14.794 26.503 -9.685 1.00 73.11 C ATOM 1207 O MET A 75 15.341 26.341 -8.596 1.00 5.15 O ATOM 1208 CB MET A 75 12.640 27.646 -9.126 1.00 12.01 C ATOM 1209 CG MET A 75 11.125 27.686 -9.244 1.00 32.45 C ATOM 1210 SD MET A 75 10.549 28.968 -10.372 1.00 41.35 S ATOM 1211 CE MET A 75 11.165 30.439 -9.556 1.00 72.13 C ATOM 0 H MET A 75 12.768 25.170 -8.221 1.00 72.33 H new ATOM 0 HA MET A 75 13.016 26.452 -10.873 1.00 43.41 H new ATOM 0 HB2 MET A 75 12.914 27.639 -8.071 1.00 12.01 H new ATOM 0 HB3 MET A 75 13.054 28.558 -9.557 1.00 12.01 H new ATOM 0 HG2 MET A 75 10.766 26.716 -9.589 1.00 32.45 H new ATOM 0 HG3 MET A 75 10.692 27.854 -8.258 1.00 32.45 H new ATOM 0 HE1 MET A 75 10.484 31.270 -9.741 1.00 72.13 H new ATOM 0 HE2 MET A 75 11.234 30.258 -8.483 1.00 72.13 H new ATOM 0 HE3 MET A 75 12.152 30.685 -9.947 1.00 72.13 H new ATOM 1221 N GLY A 76 15.469 26.742 -10.806 1.00 33.04 N ATOM 1222 CA GLY A 76 16.918 26.825 -10.795 1.00 55.14 C ATOM 1223 C GLY A 76 17.520 26.617 -12.171 1.00 12.22 C ATOM 1224 O GLY A 76 16.861 26.843 -13.187 1.00 2.04 O ATOM 0 H GLY A 76 15.038 26.879 -11.720 1.00 33.04 H new ATOM 0 HA2 GLY A 76 17.220 27.800 -10.413 1.00 55.14 H new ATOM 0 HA3 GLY A 76 17.317 26.077 -10.110 1.00 55.14 H new ATOM 1228 N THR A 77 18.777 26.187 -12.206 1.00 22.43 N ATOM 1229 CA THR A 77 19.470 25.951 -13.466 1.00 53.13 C ATOM 1230 C THR A 77 20.223 24.626 -13.441 1.00 33.03 C ATOM 1231 O THR A 77 20.724 24.206 -12.398 1.00 2.33 O ATOM 1232 CB THR A 77 20.462 27.086 -13.783 1.00 14.20 C ATOM 1233 OG1 THR A 77 21.216 26.764 -14.956 1.00 44.14 O ATOM 1234 CG2 THR A 77 21.407 27.321 -12.614 1.00 71.53 C ATOM 0 H THR A 77 19.336 25.995 -11.375 1.00 22.43 H new ATOM 0 HA THR A 77 18.707 25.917 -14.244 1.00 53.13 H new ATOM 0 HB THR A 77 19.892 27.999 -13.958 1.00 14.20 H new ATOM 0 HG1 THR A 77 21.843 27.491 -15.152 1.00 44.14 H new ATOM 0 HG21 THR A 77 22.098 28.127 -12.861 1.00 71.53 H new ATOM 0 HG22 THR A 77 20.831 27.595 -11.730 1.00 71.53 H new ATOM 0 HG23 THR A 77 21.970 26.410 -12.412 1.00 71.53 H new