USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=16 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 Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.15) 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 55:sc= 0.0274 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 52:sc= 1.05 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= -0.14 (180deg=-1.03) USER MOD Single : A 30 GLN : amide:sc= -0.706 K(o=-0.71,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.453 (180deg=-1.25) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 36 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -3.53! C(o=-3.5!,f=-8.4!) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.478) 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= -1.69 K(o=-1.7,f=-8.9!) 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= -0.0539 X(o=-0.054,f=0) USER MOD Single : A 70 THR OG1 : rot 112:sc= -0.0665 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl -128:sc= -0.227 (180deg=-0.997) USER MOD Single : A 74 MET CE :methyl -175:sc= -2.4 (180deg=-2.65) USER MOD Single : A 75 MET CE :methyl -161:sc= -0.0155 (180deg=-0.197) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 5.023 1.176 -2.817 1.00 31.33 N ATOM 19 CA ALA A 2 5.705 2.441 -3.058 1.00 23.13 C ATOM 20 C ALA A 2 4.747 3.482 -3.626 1.00 70.14 C ATOM 21 O ALA A 2 3.772 3.142 -4.298 1.00 32.13 O ATOM 22 CB ALA A 2 6.883 2.235 -3.999 1.00 33.40 C ATOM 0 HA ALA A 2 6.078 2.812 -2.103 1.00 23.13 H new ATOM 0 HB1 ALA A 2 7.383 3.188 -4.170 1.00 33.40 H new ATOM 0 HB2 ALA A 2 7.586 1.531 -3.553 1.00 33.40 H new ATOM 0 HB3 ALA A 2 6.525 1.838 -4.949 1.00 33.40 H new ATOM 28 N LEU A 3 5.030 4.751 -3.354 1.00 33.14 N ATOM 29 CA LEU A 3 4.192 5.843 -3.838 1.00 31.51 C ATOM 30 C LEU A 3 4.932 6.676 -4.879 1.00 1.41 C ATOM 31 O LEU A 3 5.874 7.406 -4.570 1.00 3.11 O ATOM 32 CB LEU A 3 3.755 6.732 -2.673 1.00 33.24 C ATOM 33 CG LEU A 3 2.268 6.689 -2.316 1.00 63.52 C ATOM 34 CD1 LEU A 3 1.969 7.630 -1.160 1.00 50.22 C ATOM 35 CD2 LEU A 3 1.419 7.042 -3.528 1.00 52.02 C ATOM 0 H LEU A 3 5.833 5.049 -2.801 1.00 33.14 H new ATOM 0 HA LEU A 3 3.308 5.410 -4.307 1.00 31.51 H new ATOM 0 HB2 LEU A 3 4.328 6.448 -1.791 1.00 33.24 H new ATOM 0 HB3 LEU A 3 4.022 7.762 -2.908 1.00 33.24 H new ATOM 0 HG LEU A 3 2.017 5.675 -2.005 1.00 63.52 H new ATOM 0 HD11 LEU A 3 0.907 7.586 -0.920 1.00 50.22 H new ATOM 0 HD12 LEU A 3 2.550 7.331 -0.288 1.00 50.22 H new ATOM 0 HD13 LEU A 3 2.235 8.649 -1.442 1.00 50.22 H new ATOM 0 HD21 LEU A 3 0.364 7.006 -3.256 1.00 52.02 H new ATOM 0 HD22 LEU A 3 1.672 8.046 -3.870 1.00 52.02 H new ATOM 0 HD23 LEU A 3 1.612 6.327 -4.328 1.00 52.02 H new ATOM 47 N PRO A 4 4.496 6.569 -6.143 1.00 32.23 N ATOM 48 CA PRO A 4 5.101 7.308 -7.255 1.00 21.24 C ATOM 49 C PRO A 4 4.816 8.804 -7.180 1.00 31.21 C ATOM 50 O PRO A 4 3.840 9.229 -6.560 1.00 62.24 O ATOM 51 CB PRO A 4 4.435 6.697 -8.490 1.00 40.54 C ATOM 52 CG PRO A 4 3.133 6.169 -7.997 1.00 15.24 C ATOM 53 CD PRO A 4 3.378 5.718 -6.583 1.00 74.03 C ATOM 0 HA PRO A 4 6.188 7.226 -7.256 1.00 21.24 H new ATOM 0 HB2 PRO A 4 4.289 7.443 -9.271 1.00 40.54 H new ATOM 0 HB3 PRO A 4 5.047 5.903 -8.918 1.00 40.54 H new ATOM 0 HG2 PRO A 4 2.361 6.938 -8.033 1.00 15.24 H new ATOM 0 HG3 PRO A 4 2.788 5.341 -8.616 1.00 15.24 H new ATOM 0 HD2 PRO A 4 2.496 5.858 -5.958 1.00 74.03 H new ATOM 0 HD3 PRO A 4 3.636 4.660 -6.538 1.00 74.03 H new ATOM 61 N ILE A 5 5.672 9.597 -7.815 1.00 3.14 N ATOM 62 CA ILE A 5 5.510 11.046 -7.821 1.00 24.34 C ATOM 63 C ILE A 5 6.080 11.657 -9.096 1.00 42.11 C ATOM 64 O ILE A 5 7.157 11.273 -9.553 1.00 3.20 O ATOM 65 CB ILE A 5 6.196 11.694 -6.603 1.00 71.13 C ATOM 66 CG1 ILE A 5 5.672 11.074 -5.306 1.00 3.41 C ATOM 67 CG2 ILE A 5 5.970 13.198 -6.607 1.00 50.41 C ATOM 68 CD1 ILE A 5 6.194 11.753 -4.059 1.00 10.02 C ATOM 0 H ILE A 5 6.485 9.261 -8.332 1.00 3.14 H new ATOM 0 HA ILE A 5 4.439 11.244 -7.773 1.00 24.34 H new ATOM 0 HB ILE A 5 7.268 11.507 -6.665 1.00 71.13 H new ATOM 0 HG12 ILE A 5 4.583 11.118 -5.305 1.00 3.41 H new ATOM 0 HG13 ILE A 5 5.948 10.020 -5.279 1.00 3.41 H new ATOM 0 HG21 ILE A 5 6.460 13.642 -5.741 1.00 50.41 H new ATOM 0 HG22 ILE A 5 6.387 13.626 -7.519 1.00 50.41 H new ATOM 0 HG23 ILE A 5 4.901 13.405 -6.564 1.00 50.41 H new ATOM 0 HD11 ILE A 5 5.782 11.262 -3.178 1.00 10.02 H new ATOM 0 HD12 ILE A 5 7.282 11.686 -4.036 1.00 10.02 H new ATOM 0 HD13 ILE A 5 5.895 12.801 -4.063 1.00 10.02 H new ATOM 80 N ILE A 6 5.351 12.611 -9.665 1.00 3.40 N ATOM 81 CA ILE A 6 5.786 13.278 -10.886 1.00 52.21 C ATOM 82 C ILE A 6 6.519 14.578 -10.572 1.00 22.33 C ATOM 83 O ILE A 6 6.134 15.317 -9.666 1.00 1.11 O ATOM 84 CB ILE A 6 4.595 13.585 -11.814 1.00 5.21 C ATOM 85 CG1 ILE A 6 4.143 12.315 -12.536 1.00 60.35 C ATOM 86 CG2 ILE A 6 4.971 14.666 -12.817 1.00 15.34 C ATOM 87 CD1 ILE A 6 2.640 12.170 -12.620 1.00 54.14 C ATOM 0 H ILE A 6 4.457 12.939 -9.300 1.00 3.40 H new ATOM 0 HA ILE A 6 6.466 12.594 -11.394 1.00 52.21 H new ATOM 0 HB ILE A 6 3.766 13.951 -11.209 1.00 5.21 H new ATOM 0 HG12 ILE A 6 4.557 12.313 -13.544 1.00 60.35 H new ATOM 0 HG13 ILE A 6 4.555 11.448 -12.021 1.00 60.35 H new ATOM 0 HG21 ILE A 6 4.120 14.872 -13.466 1.00 15.34 H new ATOM 0 HG22 ILE A 6 5.250 15.575 -12.285 1.00 15.34 H new ATOM 0 HG23 ILE A 6 5.813 14.326 -13.420 1.00 15.34 H new ATOM 0 HD11 ILE A 6 2.392 11.247 -13.145 1.00 54.14 H new ATOM 0 HD12 ILE A 6 2.221 12.140 -11.614 1.00 54.14 H new ATOM 0 HD13 ILE A 6 2.222 13.019 -13.162 1.00 54.14 H new ATOM 99 N VAL A 7 7.578 14.851 -11.328 1.00 11.14 N ATOM 100 CA VAL A 7 8.364 16.063 -11.132 1.00 44.21 C ATOM 101 C VAL A 7 8.508 16.841 -12.435 1.00 51.33 C ATOM 102 O VAL A 7 8.989 16.312 -13.438 1.00 15.32 O ATOM 103 CB VAL A 7 9.767 15.740 -10.583 1.00 34.11 C ATOM 104 CG1 VAL A 7 10.522 14.836 -11.545 1.00 51.13 C ATOM 105 CG2 VAL A 7 10.544 17.021 -10.320 1.00 72.03 C ATOM 0 H VAL A 7 7.911 14.249 -12.081 1.00 11.14 H new ATOM 0 HA VAL A 7 7.829 16.673 -10.404 1.00 44.21 H new ATOM 0 HB VAL A 7 9.655 15.210 -9.637 1.00 34.11 H new ATOM 0 HG11 VAL A 7 11.511 14.619 -11.140 1.00 51.13 H new ATOM 0 HG12 VAL A 7 9.971 13.905 -11.677 1.00 51.13 H new ATOM 0 HG13 VAL A 7 10.626 15.336 -12.508 1.00 51.13 H new ATOM 0 HG21 VAL A 7 11.532 16.774 -9.933 1.00 72.03 H new ATOM 0 HG22 VAL A 7 10.648 17.581 -11.249 1.00 72.03 H new ATOM 0 HG23 VAL A 7 10.009 17.627 -9.589 1.00 72.03 H new ATOM 115 N LYS A 8 8.088 18.102 -12.415 1.00 22.25 N ATOM 116 CA LYS A 8 8.171 18.956 -13.593 1.00 71.34 C ATOM 117 C LYS A 8 9.245 20.024 -13.417 1.00 42.11 C ATOM 118 O LYS A 8 9.185 20.830 -12.489 1.00 3.33 O ATOM 119 CB LYS A 8 6.818 19.618 -13.865 1.00 61.30 C ATOM 120 CG LYS A 8 6.353 20.533 -12.745 1.00 60.35 C ATOM 121 CD LYS A 8 4.839 20.535 -12.620 1.00 53.41 C ATOM 122 CE LYS A 8 4.194 21.430 -13.667 1.00 43.55 C ATOM 123 NZ LYS A 8 3.786 22.745 -13.099 1.00 24.14 N ATOM 0 H LYS A 8 7.686 18.555 -11.594 1.00 22.25 H new ATOM 0 HA LYS A 8 8.441 18.332 -14.445 1.00 71.34 H new ATOM 0 HB2 LYS A 8 6.883 20.193 -14.789 1.00 61.30 H new ATOM 0 HB3 LYS A 8 6.069 18.842 -14.024 1.00 61.30 H new ATOM 0 HG2 LYS A 8 6.796 20.211 -11.803 1.00 60.35 H new ATOM 0 HG3 LYS A 8 6.705 21.547 -12.933 1.00 60.35 H new ATOM 0 HD2 LYS A 8 4.463 19.518 -12.728 1.00 53.41 H new ATOM 0 HD3 LYS A 8 4.556 20.876 -11.624 1.00 53.41 H new ATOM 0 HE2 LYS A 8 4.893 21.590 -14.488 1.00 43.55 H new ATOM 0 HE3 LYS A 8 3.321 20.929 -14.085 1.00 43.55 H new ATOM 0 HZ1 LYS A 8 3.351 23.325 -13.844 1.00 24.14 H new ATOM 0 HZ2 LYS A 8 3.099 22.594 -12.333 1.00 24.14 H new ATOM 0 HZ3 LYS A 8 4.623 23.235 -12.723 1.00 24.14 H new ATOM 137 N TRP A 9 10.225 20.025 -14.314 1.00 31.23 N ATOM 138 CA TRP A 9 11.312 20.996 -14.257 1.00 73.12 C ATOM 139 C TRP A 9 11.388 21.803 -15.548 1.00 51.42 C ATOM 140 O TRP A 9 11.912 21.332 -16.556 1.00 44.13 O ATOM 141 CB TRP A 9 12.644 20.287 -14.005 1.00 14.30 C ATOM 142 CG TRP A 9 13.837 21.132 -14.332 1.00 43.34 C ATOM 143 CD1 TRP A 9 14.907 20.776 -15.103 1.00 52.35 C ATOM 144 CD2 TRP A 9 14.083 22.474 -13.897 1.00 23.35 C ATOM 145 NE1 TRP A 9 15.803 21.816 -15.173 1.00 71.41 N ATOM 146 CE2 TRP A 9 15.321 22.869 -14.442 1.00 35.31 C ATOM 147 CE3 TRP A 9 13.378 23.380 -13.101 1.00 1.25 C ATOM 148 CZ2 TRP A 9 15.865 24.130 -14.214 1.00 64.44 C ATOM 149 CZ3 TRP A 9 13.920 24.631 -12.875 1.00 43.24 C ATOM 150 CH2 TRP A 9 15.153 24.997 -13.431 1.00 45.02 C ATOM 0 H TRP A 9 10.289 19.365 -15.089 1.00 31.23 H new ATOM 0 HA TRP A 9 11.112 21.681 -13.433 1.00 73.12 H new ATOM 0 HB2 TRP A 9 12.696 19.987 -12.958 1.00 14.30 H new ATOM 0 HB3 TRP A 9 12.680 19.374 -14.600 1.00 14.30 H new ATOM 0 HD1 TRP A 9 15.031 19.818 -15.586 1.00 52.35 H new ATOM 0 HE1 TRP A 9 16.684 21.805 -15.686 1.00 71.41 H new ATOM 0 HE3 TRP A 9 12.426 23.108 -12.670 1.00 1.25 H new ATOM 0 HZ2 TRP A 9 16.816 24.414 -14.640 1.00 64.44 H new ATOM 0 HZ3 TRP A 9 13.384 25.338 -12.259 1.00 43.24 H new ATOM 0 HH2 TRP A 9 15.549 25.983 -13.238 1.00 45.02 H new ATOM 161 N GLY A 10 10.861 23.024 -15.510 1.00 72.43 N ATOM 162 CA GLY A 10 10.880 23.877 -16.684 1.00 60.20 C ATOM 163 C GLY A 10 9.582 23.819 -17.464 1.00 72.43 C ATOM 164 O GLY A 10 8.708 24.667 -17.292 1.00 75.15 O ATOM 0 H GLY A 10 10.422 23.437 -14.687 1.00 72.43 H new ATOM 0 HA2 GLY A 10 11.071 24.906 -16.379 1.00 60.20 H new ATOM 0 HA3 GLY A 10 11.704 23.579 -17.333 1.00 60.20 H new ATOM 168 N GLY A 11 9.456 22.815 -18.327 1.00 33.51 N ATOM 169 CA GLY A 11 8.252 22.669 -19.125 1.00 65.20 C ATOM 170 C GLY A 11 7.957 21.223 -19.470 1.00 31.44 C ATOM 171 O GLY A 11 7.222 20.942 -20.416 1.00 35.24 O ATOM 0 H GLY A 11 10.166 22.100 -18.488 1.00 33.51 H new ATOM 0 HA2 GLY A 11 7.406 23.089 -18.581 1.00 65.20 H new ATOM 0 HA3 GLY A 11 8.357 23.245 -20.045 1.00 65.20 H new ATOM 175 N GLN A 12 8.533 20.303 -18.701 1.00 55.35 N ATOM 176 CA GLN A 12 8.328 18.878 -18.933 1.00 1.32 C ATOM 177 C GLN A 12 7.897 18.175 -17.650 1.00 63.20 C ATOM 178 O GLN A 12 7.866 18.781 -16.580 1.00 0.03 O ATOM 179 CB GLN A 12 9.608 18.239 -19.474 1.00 2.12 C ATOM 180 CG GLN A 12 9.860 18.531 -20.944 1.00 53.43 C ATOM 181 CD GLN A 12 9.097 17.598 -21.864 1.00 24.54 C ATOM 182 OE1 GLN A 12 7.909 17.793 -22.119 1.00 33.42 O ATOM 183 NE2 GLN A 12 9.779 16.575 -22.367 1.00 42.31 N ATOM 0 H GLN A 12 9.144 20.519 -17.913 1.00 55.35 H new ATOM 0 HA GLN A 12 7.534 18.766 -19.672 1.00 1.32 H new ATOM 0 HB2 GLN A 12 10.457 18.596 -18.891 1.00 2.12 H new ATOM 0 HB3 GLN A 12 9.554 17.160 -19.331 1.00 2.12 H new ATOM 0 HG2 GLN A 12 9.575 19.561 -21.160 1.00 53.43 H new ATOM 0 HG3 GLN A 12 10.927 18.445 -21.150 1.00 53.43 H new ATOM 0 HE21 GLN A 12 10.763 16.452 -22.129 1.00 42.31 H new ATOM 0 HE22 GLN A 12 9.319 15.913 -22.992 1.00 42.31 H new ATOM 192 N GLU A 13 7.566 16.893 -17.767 1.00 33.34 N ATOM 193 CA GLU A 13 7.136 16.108 -16.615 1.00 75.14 C ATOM 194 C GLU A 13 7.860 14.766 -16.570 1.00 63.23 C ATOM 195 O GLU A 13 8.078 14.131 -17.602 1.00 62.33 O ATOM 196 CB GLU A 13 5.623 15.882 -16.661 1.00 31.22 C ATOM 197 CG GLU A 13 4.813 17.163 -16.554 1.00 75.34 C ATOM 198 CD GLU A 13 3.319 16.917 -16.641 1.00 73.12 C ATOM 199 OE1 GLU A 13 2.924 15.818 -17.084 1.00 33.11 O ATOM 200 OE2 GLU A 13 2.545 17.823 -16.267 1.00 61.20 O ATOM 0 H GLU A 13 7.587 16.376 -18.646 1.00 33.34 H new ATOM 0 HA GLU A 13 7.386 16.666 -15.713 1.00 75.14 H new ATOM 0 HB2 GLU A 13 5.368 15.377 -17.593 1.00 31.22 H new ATOM 0 HB3 GLU A 13 5.339 15.214 -15.848 1.00 31.22 H new ATOM 0 HG2 GLU A 13 5.042 17.655 -15.609 1.00 75.34 H new ATOM 0 HG3 GLU A 13 5.112 17.845 -17.350 1.00 75.34 H new ATOM 207 N TYR A 14 8.232 14.341 -15.368 1.00 15.03 N ATOM 208 CA TYR A 14 8.934 13.076 -15.187 1.00 45.43 C ATOM 209 C TYR A 14 8.374 12.307 -13.995 1.00 61.10 C ATOM 210 O TYR A 14 8.462 12.759 -12.853 1.00 73.14 O ATOM 211 CB TYR A 14 10.431 13.324 -14.991 1.00 0.23 C ATOM 212 CG TYR A 14 11.085 14.034 -16.155 1.00 23.52 C ATOM 213 CD1 TYR A 14 10.912 15.399 -16.348 1.00 23.33 C ATOM 214 CD2 TYR A 14 11.876 13.339 -17.062 1.00 74.20 C ATOM 215 CE1 TYR A 14 11.507 16.051 -17.410 1.00 45.11 C ATOM 216 CE2 TYR A 14 12.476 13.983 -18.126 1.00 52.24 C ATOM 217 CZ TYR A 14 12.289 15.339 -18.296 1.00 54.13 C ATOM 218 OH TYR A 14 12.884 15.984 -19.356 1.00 53.31 O ATOM 0 H TYR A 14 8.059 14.854 -14.504 1.00 15.03 H new ATOM 0 HA TYR A 14 8.786 12.476 -16.085 1.00 45.43 H new ATOM 0 HB2 TYR A 14 10.577 13.915 -14.087 1.00 0.23 H new ATOM 0 HB3 TYR A 14 10.931 12.369 -14.832 1.00 0.23 H new ATOM 0 HD1 TYR A 14 10.302 15.960 -15.656 1.00 23.33 H new ATOM 0 HD2 TYR A 14 12.024 12.277 -16.932 1.00 74.20 H new ATOM 0 HE1 TYR A 14 11.361 17.112 -17.546 1.00 45.11 H new ATOM 0 HE2 TYR A 14 13.088 13.428 -18.821 1.00 52.24 H new ATOM 0 HH TYR A 14 13.401 15.339 -19.883 1.00 53.31 H new ATOM 228 N SER A 15 7.798 11.141 -14.269 1.00 65.34 N ATOM 229 CA SER A 15 7.220 10.308 -13.221 1.00 43.11 C ATOM 230 C SER A 15 8.300 9.487 -12.522 1.00 12.52 C ATOM 231 O SER A 15 9.166 8.900 -13.169 1.00 62.34 O ATOM 232 CB SER A 15 6.156 9.378 -13.808 1.00 5.24 C ATOM 233 OG SER A 15 6.745 8.382 -14.626 1.00 51.32 O ATOM 0 H SER A 15 7.719 10.752 -15.208 1.00 65.34 H new ATOM 0 HA SER A 15 6.754 10.964 -12.486 1.00 43.11 H new ATOM 0 HB2 SER A 15 5.596 8.906 -13.001 1.00 5.24 H new ATOM 0 HB3 SER A 15 5.443 9.959 -14.393 1.00 5.24 H new ATOM 0 HG SER A 15 6.045 7.800 -14.988 1.00 51.32 H new ATOM 239 N VAL A 16 8.241 9.452 -11.194 1.00 52.43 N ATOM 240 CA VAL A 16 9.212 8.704 -10.405 1.00 73.44 C ATOM 241 C VAL A 16 8.678 7.322 -10.045 1.00 23.31 C ATOM 242 O VAL A 16 7.500 7.162 -9.725 1.00 12.31 O ATOM 243 CB VAL A 16 9.581 9.453 -9.111 1.00 70.13 C ATOM 244 CG1 VAL A 16 10.522 8.615 -8.259 1.00 11.20 C ATOM 245 CG2 VAL A 16 10.202 10.803 -9.437 1.00 24.24 C ATOM 0 H VAL A 16 7.531 9.933 -10.642 1.00 52.43 H new ATOM 0 HA VAL A 16 10.105 8.597 -11.020 1.00 73.44 H new ATOM 0 HB VAL A 16 8.670 9.627 -8.539 1.00 70.13 H new ATOM 0 HG11 VAL A 16 10.772 9.160 -7.349 1.00 11.20 H new ATOM 0 HG12 VAL A 16 10.036 7.675 -7.997 1.00 11.20 H new ATOM 0 HG13 VAL A 16 11.434 8.408 -8.820 1.00 11.20 H new ATOM 0 HG21 VAL A 16 10.457 11.319 -8.511 1.00 24.24 H new ATOM 0 HG22 VAL A 16 11.104 10.655 -10.030 1.00 24.24 H new ATOM 0 HG23 VAL A 16 9.490 11.404 -10.003 1.00 24.24 H new ATOM 255 N THR A 17 9.554 6.323 -10.098 1.00 61.22 N ATOM 256 CA THR A 17 9.172 4.953 -9.778 1.00 52.41 C ATOM 257 C THR A 17 10.339 4.185 -9.170 1.00 21.34 C ATOM 258 O THR A 17 11.157 3.607 -9.886 1.00 63.02 O ATOM 259 CB THR A 17 8.673 4.203 -11.027 1.00 61.33 C ATOM 260 OG1 THR A 17 9.489 4.534 -12.156 1.00 62.13 O ATOM 261 CG2 THR A 17 7.222 4.551 -11.324 1.00 63.44 C ATOM 0 H THR A 17 10.533 6.437 -10.360 1.00 61.22 H new ATOM 0 HA THR A 17 8.362 5.012 -9.051 1.00 52.41 H new ATOM 0 HB THR A 17 8.741 3.133 -10.832 1.00 61.33 H new ATOM 0 HG1 THR A 17 10.429 4.353 -11.945 1.00 62.13 H new ATOM 0 HG21 THR A 17 6.892 4.009 -12.210 1.00 63.44 H new ATOM 0 HG22 THR A 17 6.599 4.270 -10.474 1.00 63.44 H new ATOM 0 HG23 THR A 17 7.134 5.623 -11.500 1.00 63.44 H new ATOM 269 N THR A 18 10.411 4.180 -7.842 1.00 41.30 N ATOM 270 CA THR A 18 11.479 3.483 -7.137 1.00 32.32 C ATOM 271 C THR A 18 11.421 3.760 -5.639 1.00 43.00 C ATOM 272 O THR A 18 11.835 2.931 -4.827 1.00 42.13 O ATOM 273 CB THR A 18 12.865 3.891 -7.670 1.00 51.32 C ATOM 274 OG1 THR A 18 13.884 3.473 -6.756 1.00 5.12 O ATOM 275 CG2 THR A 18 12.945 5.397 -7.872 1.00 74.15 C ATOM 0 H THR A 18 9.742 4.651 -7.233 1.00 41.30 H new ATOM 0 HA THR A 18 11.330 2.418 -7.313 1.00 32.32 H new ATOM 0 HB THR A 18 13.018 3.402 -8.632 1.00 51.32 H new ATOM 0 HG1 THR A 18 14.762 3.735 -7.103 1.00 5.12 H new ATOM 0 HG21 THR A 18 13.933 5.662 -8.249 1.00 74.15 H new ATOM 0 HG22 THR A 18 12.187 5.708 -8.591 1.00 74.15 H new ATOM 0 HG23 THR A 18 12.772 5.901 -6.921 1.00 74.15 H new ATOM 283 N LEU A 19 10.905 4.930 -5.278 1.00 63.22 N ATOM 284 CA LEU A 19 10.793 5.316 -3.876 1.00 53.51 C ATOM 285 C LEU A 19 9.492 4.798 -3.271 1.00 52.42 C ATOM 286 O LEU A 19 8.496 4.622 -3.973 1.00 63.43 O ATOM 287 CB LEU A 19 10.862 6.838 -3.739 1.00 55.53 C ATOM 288 CG LEU A 19 12.184 7.407 -3.222 1.00 75.22 C ATOM 289 CD1 LEU A 19 12.375 7.061 -1.754 1.00 23.23 C ATOM 290 CD2 LEU A 19 13.349 6.886 -4.051 1.00 55.02 C ATOM 0 H LEU A 19 10.558 5.627 -5.937 1.00 63.22 H new ATOM 0 HA LEU A 19 11.627 4.870 -3.334 1.00 53.51 H new ATOM 0 HB2 LEU A 19 10.656 7.280 -4.714 1.00 55.53 H new ATOM 0 HB3 LEU A 19 10.065 7.159 -3.069 1.00 55.53 H new ATOM 0 HG LEU A 19 12.153 8.492 -3.317 1.00 75.22 H new ATOM 0 HD11 LEU A 19 13.321 7.474 -1.403 1.00 23.23 H new ATOM 0 HD12 LEU A 19 11.556 7.483 -1.171 1.00 23.23 H new ATOM 0 HD13 LEU A 19 12.385 5.978 -1.634 1.00 23.23 H new ATOM 0 HD21 LEU A 19 14.282 7.301 -3.669 1.00 55.02 H new ATOM 0 HD22 LEU A 19 13.383 5.798 -3.988 1.00 55.02 H new ATOM 0 HD23 LEU A 19 13.218 7.185 -5.091 1.00 55.02 H new ATOM 302 N SER A 20 9.507 4.559 -1.964 1.00 22.02 N ATOM 303 CA SER A 20 8.329 4.060 -1.264 1.00 61.22 C ATOM 304 C SER A 20 8.060 4.875 -0.003 1.00 50.32 C ATOM 305 O SER A 20 8.888 5.684 0.413 1.00 2.35 O ATOM 306 CB SER A 20 8.512 2.585 -0.902 1.00 30.31 C ATOM 307 OG SER A 20 9.864 2.187 -1.049 1.00 3.44 O ATOM 0 H SER A 20 10.322 4.703 -1.368 1.00 22.02 H new ATOM 0 HA SER A 20 7.472 4.160 -1.930 1.00 61.22 H new ATOM 0 HB2 SER A 20 8.190 2.417 0.126 1.00 30.31 H new ATOM 0 HB3 SER A 20 7.877 1.970 -1.539 1.00 30.31 H new ATOM 0 HG SER A 20 10.443 2.809 -0.561 1.00 3.44 H new ATOM 313 N GLU A 21 6.895 4.655 0.599 1.00 43.41 N ATOM 314 CA GLU A 21 6.516 5.371 1.812 1.00 62.52 C ATOM 315 C GLU A 21 7.491 5.071 2.947 1.00 32.32 C ATOM 316 O GLU A 21 7.607 5.842 3.899 1.00 4.34 O ATOM 317 CB GLU A 21 5.095 4.990 2.231 1.00 13.34 C ATOM 318 CG GLU A 21 4.097 5.005 1.085 1.00 3.43 C ATOM 319 CD GLU A 21 2.667 4.821 1.554 1.00 0.33 C ATOM 320 OE1 GLU A 21 2.424 4.936 2.774 1.00 30.40 O ATOM 321 OE2 GLU A 21 1.791 4.563 0.703 1.00 63.05 O ATOM 0 H GLU A 21 6.198 3.988 0.267 1.00 43.41 H new ATOM 0 HA GLU A 21 6.550 6.440 1.600 1.00 62.52 H new ATOM 0 HB2 GLU A 21 5.111 3.995 2.675 1.00 13.34 H new ATOM 0 HB3 GLU A 21 4.757 5.679 3.005 1.00 13.34 H new ATOM 0 HG2 GLU A 21 4.180 5.950 0.548 1.00 3.43 H new ATOM 0 HG3 GLU A 21 4.348 4.214 0.379 1.00 3.43 H new ATOM 328 N ASP A 22 8.188 3.945 2.839 1.00 74.01 N ATOM 329 CA ASP A 22 9.153 3.542 3.855 1.00 14.23 C ATOM 330 C ASP A 22 10.374 4.456 3.837 1.00 22.21 C ATOM 331 O ASP A 22 11.211 4.407 4.738 1.00 4.45 O ATOM 332 CB ASP A 22 9.582 2.091 3.635 1.00 42.03 C ATOM 333 CG ASP A 22 9.842 1.360 4.937 1.00 24.10 C ATOM 334 OD1 ASP A 22 10.923 1.566 5.528 1.00 2.21 O ATOM 335 OD2 ASP A 22 8.965 0.582 5.366 1.00 71.03 O ATOM 0 H ASP A 22 8.102 3.295 2.058 1.00 74.01 H new ATOM 0 HA ASP A 22 8.673 3.626 4.830 1.00 14.23 H new ATOM 0 HB2 ASP A 22 8.807 1.567 3.076 1.00 42.03 H new ATOM 0 HB3 ASP A 22 10.484 2.071 3.024 1.00 42.03 H new ATOM 340 N ASP A 23 10.470 5.286 2.805 1.00 51.42 N ATOM 341 CA ASP A 23 11.589 6.211 2.669 1.00 42.32 C ATOM 342 C ASP A 23 11.193 7.614 3.120 1.00 62.23 C ATOM 343 O ASP A 23 10.331 7.780 3.983 1.00 11.32 O ATOM 344 CB ASP A 23 12.076 6.247 1.219 1.00 21.44 C ATOM 345 CG ASP A 23 12.171 4.863 0.607 1.00 44.12 C ATOM 346 OD1 ASP A 23 11.113 4.278 0.296 1.00 11.02 O ATOM 347 OD2 ASP A 23 13.304 4.365 0.439 1.00 64.12 O ATOM 0 H ASP A 23 9.786 5.338 2.050 1.00 51.42 H new ATOM 0 HA ASP A 23 12.399 5.858 3.308 1.00 42.32 H new ATOM 0 HB2 ASP A 23 11.396 6.858 0.625 1.00 21.44 H new ATOM 0 HB3 ASP A 23 13.054 6.727 1.179 1.00 21.44 H new ATOM 352 N THR A 24 11.830 8.621 2.530 1.00 14.33 N ATOM 353 CA THR A 24 11.546 10.009 2.872 1.00 12.35 C ATOM 354 C THR A 24 11.358 10.857 1.620 1.00 42.14 C ATOM 355 O THR A 24 11.619 10.403 0.506 1.00 61.15 O ATOM 356 CB THR A 24 12.673 10.619 3.727 1.00 20.11 C ATOM 357 OG1 THR A 24 13.863 9.833 3.601 1.00 63.02 O ATOM 358 CG2 THR A 24 12.262 10.695 5.190 1.00 63.11 C ATOM 0 H THR A 24 12.546 8.501 1.813 1.00 14.33 H new ATOM 0 HA THR A 24 10.621 10.009 3.449 1.00 12.35 H new ATOM 0 HB THR A 24 12.866 11.630 3.367 1.00 20.11 H new ATOM 0 HG1 THR A 24 14.575 10.228 4.146 1.00 63.02 H new ATOM 0 HG21 THR A 24 13.074 11.129 5.774 1.00 63.11 H new ATOM 0 HG22 THR A 24 11.373 11.318 5.286 1.00 63.11 H new ATOM 0 HG23 THR A 24 12.045 9.693 5.559 1.00 63.11 H new ATOM 366 N VAL A 25 10.905 12.092 1.809 1.00 52.31 N ATOM 367 CA VAL A 25 10.684 13.005 0.694 1.00 60.15 C ATOM 368 C VAL A 25 12.000 13.383 0.024 1.00 64.43 C ATOM 369 O VAL A 25 12.101 13.407 -1.204 1.00 14.12 O ATOM 370 CB VAL A 25 9.967 14.289 1.152 1.00 22.32 C ATOM 371 CG1 VAL A 25 9.488 15.091 -0.048 1.00 72.31 C ATOM 372 CG2 VAL A 25 8.807 13.950 2.075 1.00 34.42 C ATOM 0 H VAL A 25 10.684 12.484 2.724 1.00 52.31 H new ATOM 0 HA VAL A 25 10.052 12.481 -0.023 1.00 60.15 H new ATOM 0 HB VAL A 25 10.677 14.902 1.708 1.00 22.32 H new ATOM 0 HG11 VAL A 25 8.984 15.994 0.296 1.00 72.31 H new ATOM 0 HG12 VAL A 25 10.342 15.365 -0.667 1.00 72.31 H new ATOM 0 HG13 VAL A 25 8.794 14.489 -0.634 1.00 72.31 H new ATOM 0 HG21 VAL A 25 8.312 14.869 2.389 1.00 34.42 H new ATOM 0 HG22 VAL A 25 8.095 13.316 1.547 1.00 34.42 H new ATOM 0 HG23 VAL A 25 9.182 13.422 2.952 1.00 34.42 H new ATOM 382 N LEU A 26 13.009 13.676 0.837 1.00 12.11 N ATOM 383 CA LEU A 26 14.321 14.052 0.324 1.00 44.53 C ATOM 384 C LEU A 26 14.917 12.931 -0.522 1.00 4.44 C ATOM 385 O LEU A 26 15.700 13.181 -1.439 1.00 21.24 O ATOM 386 CB LEU A 26 15.265 14.392 1.479 1.00 15.11 C ATOM 387 CG LEU A 26 16.188 13.266 1.945 1.00 33.23 C ATOM 388 CD1 LEU A 26 17.482 13.271 1.147 1.00 52.34 C ATOM 389 CD2 LEU A 26 16.477 13.395 3.434 1.00 72.23 C ATOM 0 H LEU A 26 12.943 13.660 1.855 1.00 12.11 H new ATOM 0 HA LEU A 26 14.198 14.932 -0.307 1.00 44.53 H new ATOM 0 HB2 LEU A 26 15.881 15.240 1.180 1.00 15.11 H new ATOM 0 HB3 LEU A 26 14.665 14.718 2.329 1.00 15.11 H new ATOM 0 HG LEU A 26 15.684 12.315 1.774 1.00 33.23 H new ATOM 0 HD11 LEU A 26 18.126 12.463 1.493 1.00 52.34 H new ATOM 0 HD12 LEU A 26 17.258 13.129 0.090 1.00 52.34 H new ATOM 0 HD13 LEU A 26 17.991 14.225 1.285 1.00 52.34 H new ATOM 0 HD21 LEU A 26 17.135 12.585 3.748 1.00 72.23 H new ATOM 0 HD22 LEU A 26 16.960 14.352 3.629 1.00 72.23 H new ATOM 0 HD23 LEU A 26 15.542 13.340 3.992 1.00 72.23 H new ATOM 401 N ASP A 27 14.540 11.697 -0.208 1.00 64.20 N ATOM 402 CA ASP A 27 15.035 10.537 -0.941 1.00 31.03 C ATOM 403 C ASP A 27 14.452 10.496 -2.350 1.00 22.40 C ATOM 404 O ASP A 27 15.120 10.080 -3.298 1.00 23.34 O ATOM 405 CB ASP A 27 14.687 9.249 -0.194 1.00 31.45 C ATOM 406 CG ASP A 27 15.589 8.093 -0.581 1.00 54.10 C ATOM 407 OD1 ASP A 27 16.154 8.129 -1.694 1.00 62.21 O ATOM 408 OD2 ASP A 27 15.729 7.153 0.229 1.00 3.41 O ATOM 0 H ASP A 27 13.894 11.474 0.549 1.00 64.20 H new ATOM 0 HA ASP A 27 16.119 10.622 -1.018 1.00 31.03 H new ATOM 0 HB2 ASP A 27 14.764 9.423 0.879 1.00 31.45 H new ATOM 0 HB3 ASP A 27 13.650 8.982 -0.400 1.00 31.45 H new ATOM 413 N LEU A 28 13.203 10.928 -2.481 1.00 1.10 N ATOM 414 CA LEU A 28 12.529 10.940 -3.775 1.00 21.23 C ATOM 415 C LEU A 28 12.941 12.160 -4.592 1.00 54.11 C ATOM 416 O LEU A 28 13.279 12.047 -5.770 1.00 63.53 O ATOM 417 CB LEU A 28 11.012 10.929 -3.582 1.00 13.24 C ATOM 418 CG LEU A 28 10.189 10.400 -4.757 1.00 2.00 C ATOM 419 CD1 LEU A 28 9.105 9.453 -4.266 1.00 62.14 C ATOM 420 CD2 LEU A 28 9.578 11.552 -5.542 1.00 24.21 C ATOM 0 H LEU A 28 12.636 11.275 -1.707 1.00 1.10 H new ATOM 0 HA LEU A 28 12.826 10.044 -4.320 1.00 21.23 H new ATOM 0 HB2 LEU A 28 10.782 10.327 -2.703 1.00 13.24 H new ATOM 0 HB3 LEU A 28 10.686 11.946 -3.365 1.00 13.24 H new ATOM 0 HG LEU A 28 10.853 9.846 -5.421 1.00 2.00 H new ATOM 0 HD11 LEU A 28 8.530 9.087 -5.116 1.00 62.14 H new ATOM 0 HD12 LEU A 28 9.565 8.611 -3.749 1.00 62.14 H new ATOM 0 HD13 LEU A 28 8.443 9.982 -3.581 1.00 62.14 H new ATOM 0 HD21 LEU A 28 8.996 11.157 -6.374 1.00 24.21 H new ATOM 0 HD22 LEU A 28 8.928 12.133 -4.888 1.00 24.21 H new ATOM 0 HD23 LEU A 28 10.372 12.192 -5.926 1.00 24.21 H new ATOM 432 N LYS A 29 12.911 13.328 -3.958 1.00 61.44 N ATOM 433 CA LYS A 29 13.284 14.570 -4.624 1.00 61.14 C ATOM 434 C LYS A 29 14.739 14.527 -5.080 1.00 41.14 C ATOM 435 O LYS A 29 15.033 14.704 -6.262 1.00 62.02 O ATOM 436 CB LYS A 29 13.067 15.760 -3.687 1.00 41.12 C ATOM 437 CG LYS A 29 11.728 16.450 -3.880 1.00 73.20 C ATOM 438 CD LYS A 29 10.681 15.913 -2.918 1.00 53.42 C ATOM 439 CE LYS A 29 9.871 14.789 -3.546 1.00 52.41 C ATOM 440 NZ LYS A 29 8.473 15.211 -3.842 1.00 24.13 N ATOM 0 H LYS A 29 12.632 13.440 -2.983 1.00 61.44 H new ATOM 0 HA LYS A 29 12.650 14.687 -5.503 1.00 61.14 H new ATOM 0 HB2 LYS A 29 13.144 15.418 -2.655 1.00 41.12 H new ATOM 0 HB3 LYS A 29 13.866 16.485 -3.843 1.00 41.12 H new ATOM 0 HG2 LYS A 29 11.845 17.523 -3.730 1.00 73.20 H new ATOM 0 HG3 LYS A 29 11.388 16.307 -4.906 1.00 73.20 H new ATOM 0 HD2 LYS A 29 11.169 15.550 -2.013 1.00 53.42 H new ATOM 0 HD3 LYS A 29 10.013 16.720 -2.618 1.00 53.42 H new ATOM 0 HE2 LYS A 29 10.355 14.463 -4.467 1.00 52.41 H new ATOM 0 HE3 LYS A 29 9.857 13.932 -2.873 1.00 52.41 H new ATOM 0 HZ1 LYS A 29 8.084 14.615 -4.601 1.00 24.13 H new ATOM 0 HZ2 LYS A 29 7.890 15.107 -2.987 1.00 24.13 H new ATOM 0 HZ3 LYS A 29 8.468 16.206 -4.146 1.00 24.13 H new ATOM 454 N GLN A 30 15.644 14.290 -4.136 1.00 72.10 N ATOM 455 CA GLN A 30 17.068 14.223 -4.443 1.00 13.25 C ATOM 456 C GLN A 30 17.350 13.148 -5.487 1.00 0.12 C ATOM 457 O GLN A 30 18.369 13.190 -6.176 1.00 42.23 O ATOM 458 CB GLN A 30 17.872 13.941 -3.172 1.00 73.22 C ATOM 459 CG GLN A 30 18.031 12.459 -2.870 1.00 45.51 C ATOM 460 CD GLN A 30 19.312 11.882 -3.440 1.00 41.44 C ATOM 461 OE1 GLN A 30 20.048 12.562 -4.157 1.00 31.03 O ATOM 462 NE2 GLN A 30 19.586 10.622 -3.125 1.00 34.10 N ATOM 0 H GLN A 30 15.417 14.141 -3.153 1.00 72.10 H new ATOM 0 HA GLN A 30 17.372 15.187 -4.851 1.00 13.25 H new ATOM 0 HB2 GLN A 30 18.860 14.392 -3.269 1.00 73.22 H new ATOM 0 HB3 GLN A 30 17.382 14.425 -2.327 1.00 73.22 H new ATOM 0 HG2 GLN A 30 18.018 12.309 -1.791 1.00 45.51 H new ATOM 0 HG3 GLN A 30 17.179 11.915 -3.278 1.00 45.51 H new ATOM 0 HE21 GLN A 30 18.948 10.095 -2.528 1.00 34.10 H new ATOM 0 HE22 GLN A 30 20.434 10.180 -3.480 1.00 34.10 H new ATOM 471 N PHE A 31 16.441 12.185 -5.598 1.00 22.02 N ATOM 472 CA PHE A 31 16.593 11.097 -6.557 1.00 41.43 C ATOM 473 C PHE A 31 16.248 11.565 -7.968 1.00 70.33 C ATOM 474 O PHE A 31 17.052 11.433 -8.892 1.00 52.13 O ATOM 475 CB PHE A 31 15.702 9.916 -6.167 1.00 2.32 C ATOM 476 CG PHE A 31 15.612 8.857 -7.228 1.00 53.20 C ATOM 477 CD1 PHE A 31 14.635 8.922 -8.209 1.00 3.31 C ATOM 478 CD2 PHE A 31 16.503 7.796 -7.244 1.00 53.22 C ATOM 479 CE1 PHE A 31 14.549 7.950 -9.187 1.00 64.51 C ATOM 480 CE2 PHE A 31 16.422 6.821 -8.220 1.00 70.11 C ATOM 481 CZ PHE A 31 15.443 6.897 -9.192 1.00 24.11 C ATOM 0 H PHE A 31 15.591 12.136 -5.036 1.00 22.02 H new ATOM 0 HA PHE A 31 17.635 10.776 -6.543 1.00 41.43 H new ATOM 0 HB2 PHE A 31 16.086 9.469 -5.250 1.00 2.32 H new ATOM 0 HB3 PHE A 31 14.700 10.284 -5.947 1.00 2.32 H new ATOM 0 HD1 PHE A 31 13.933 9.742 -8.209 1.00 3.31 H new ATOM 0 HD2 PHE A 31 17.269 7.730 -6.486 1.00 53.22 H new ATOM 0 HE1 PHE A 31 13.784 8.013 -9.947 1.00 64.51 H new ATOM 0 HE2 PHE A 31 17.124 6.000 -8.223 1.00 70.11 H new ATOM 0 HZ PHE A 31 15.377 6.135 -9.954 1.00 24.11 H new ATOM 491 N LEU A 32 15.047 12.110 -8.127 1.00 3.40 N ATOM 492 CA LEU A 32 14.594 12.597 -9.425 1.00 52.41 C ATOM 493 C LEU A 32 15.395 13.821 -9.858 1.00 12.33 C ATOM 494 O LEU A 32 15.796 13.937 -11.016 1.00 72.00 O ATOM 495 CB LEU A 32 13.104 12.942 -9.371 1.00 23.32 C ATOM 496 CG LEU A 32 12.667 13.851 -8.222 1.00 1.11 C ATOM 497 CD1 LEU A 32 12.657 15.305 -8.667 1.00 14.44 C ATOM 498 CD2 LEU A 32 11.296 13.439 -7.708 1.00 35.23 C ATOM 0 H LEU A 32 14.370 12.226 -7.373 1.00 3.40 H new ATOM 0 HA LEU A 32 14.751 11.805 -10.157 1.00 52.41 H new ATOM 0 HB2 LEU A 32 12.828 13.420 -10.311 1.00 23.32 H new ATOM 0 HB3 LEU A 32 12.538 12.012 -9.308 1.00 23.32 H new ATOM 0 HG LEU A 32 13.384 13.746 -7.408 1.00 1.11 H new ATOM 0 HD11 LEU A 32 12.344 15.938 -7.836 1.00 14.44 H new ATOM 0 HD12 LEU A 32 13.658 15.595 -8.986 1.00 14.44 H new ATOM 0 HD13 LEU A 32 11.962 15.426 -9.498 1.00 14.44 H new ATOM 0 HD21 LEU A 32 11.001 14.097 -6.890 1.00 35.23 H new ATOM 0 HD22 LEU A 32 10.567 13.514 -8.515 1.00 35.23 H new ATOM 0 HD23 LEU A 32 11.336 12.410 -7.350 1.00 35.23 H new ATOM 510 N LYS A 33 15.626 14.732 -8.919 1.00 5.43 N ATOM 511 CA LYS A 33 16.383 15.947 -9.200 1.00 72.23 C ATOM 512 C LYS A 33 17.749 15.612 -9.791 1.00 12.30 C ATOM 513 O LYS A 33 18.325 16.404 -10.538 1.00 0.12 O ATOM 514 CB LYS A 33 16.556 16.772 -7.923 1.00 52.12 C ATOM 515 CG LYS A 33 17.988 17.210 -7.671 1.00 62.13 C ATOM 516 CD LYS A 33 18.799 16.109 -7.008 1.00 42.21 C ATOM 517 CE LYS A 33 20.241 16.110 -7.493 1.00 32.21 C ATOM 518 NZ LYS A 33 21.170 16.663 -6.469 1.00 41.32 N ATOM 0 H LYS A 33 15.300 14.652 -7.956 1.00 5.43 H new ATOM 0 HA LYS A 33 15.824 16.533 -9.930 1.00 72.23 H new ATOM 0 HB2 LYS A 33 15.920 17.655 -7.982 1.00 52.12 H new ATOM 0 HB3 LYS A 33 16.209 16.186 -7.072 1.00 52.12 H new ATOM 0 HG2 LYS A 33 18.456 17.489 -8.615 1.00 62.13 H new ATOM 0 HG3 LYS A 33 17.992 18.098 -7.038 1.00 62.13 H new ATOM 0 HD2 LYS A 33 18.778 16.241 -5.926 1.00 42.21 H new ATOM 0 HD3 LYS A 33 18.343 15.142 -7.220 1.00 42.21 H new ATOM 0 HE2 LYS A 33 20.541 15.092 -7.743 1.00 32.21 H new ATOM 0 HE3 LYS A 33 20.316 16.699 -8.407 1.00 32.21 H new ATOM 0 HZ1 LYS A 33 22.067 16.931 -6.923 1.00 41.32 H new ATOM 0 HZ2 LYS A 33 20.741 17.501 -6.027 1.00 41.32 H new ATOM 0 HZ3 LYS A 33 21.352 15.943 -5.741 1.00 41.32 H new ATOM 532 N THR A 34 18.262 14.434 -9.453 1.00 23.50 N ATOM 533 CA THR A 34 19.560 13.994 -9.950 1.00 0.30 C ATOM 534 C THR A 34 19.453 13.466 -11.376 1.00 14.21 C ATOM 535 O THR A 34 20.434 13.456 -12.121 1.00 14.42 O ATOM 536 CB THR A 34 20.163 12.898 -9.052 1.00 64.54 C ATOM 537 OG1 THR A 34 21.559 13.145 -8.848 1.00 60.50 O ATOM 538 CG2 THR A 34 19.972 11.523 -9.675 1.00 65.23 C ATOM 0 H THR A 34 17.798 13.767 -8.837 1.00 23.50 H new ATOM 0 HA THR A 34 20.215 14.865 -9.937 1.00 0.30 H new ATOM 0 HB THR A 34 19.647 12.920 -8.092 1.00 64.54 H new ATOM 0 HG1 THR A 34 21.935 12.445 -8.275 1.00 60.50 H new ATOM 0 HG21 THR A 34 20.406 10.765 -9.023 1.00 65.23 H new ATOM 0 HG22 THR A 34 18.908 11.326 -9.803 1.00 65.23 H new ATOM 0 HG23 THR A 34 20.466 11.492 -10.646 1.00 65.23 H new ATOM 546 N LEU A 35 18.256 13.028 -11.751 1.00 11.21 N ATOM 547 CA LEU A 35 18.020 12.499 -13.090 1.00 31.34 C ATOM 548 C LEU A 35 17.926 13.626 -14.112 1.00 53.34 C ATOM 549 O LEU A 35 18.709 13.687 -15.061 1.00 23.04 O ATOM 550 CB LEU A 35 16.737 11.666 -13.111 1.00 54.54 C ATOM 551 CG LEU A 35 16.506 10.757 -11.904 1.00 12.10 C ATOM 552 CD1 LEU A 35 15.175 10.031 -12.029 1.00 43.21 C ATOM 553 CD2 LEU A 35 17.647 9.761 -11.760 1.00 44.24 C ATOM 0 H LEU A 35 17.434 13.029 -11.147 1.00 11.21 H new ATOM 0 HA LEU A 35 18.864 11.862 -13.357 1.00 31.34 H new ATOM 0 HB2 LEU A 35 15.889 12.345 -13.197 1.00 54.54 H new ATOM 0 HB3 LEU A 35 16.743 11.049 -14.009 1.00 54.54 H new ATOM 0 HG LEU A 35 16.476 11.377 -11.008 1.00 12.10 H new ATOM 0 HD11 LEU A 35 15.028 9.389 -11.161 1.00 43.21 H new ATOM 0 HD12 LEU A 35 14.366 10.760 -12.082 1.00 43.21 H new ATOM 0 HD13 LEU A 35 15.176 9.423 -12.934 1.00 43.21 H new ATOM 0 HD21 LEU A 35 17.465 9.122 -10.896 1.00 44.24 H new ATOM 0 HD22 LEU A 35 17.709 9.147 -12.658 1.00 44.24 H new ATOM 0 HD23 LEU A 35 18.585 10.299 -11.623 1.00 44.24 H new ATOM 565 N THR A 36 16.962 14.520 -13.913 1.00 2.40 N ATOM 566 CA THR A 36 16.766 15.647 -14.817 1.00 31.14 C ATOM 567 C THR A 36 16.542 16.941 -14.042 1.00 31.40 C ATOM 568 O THR A 36 16.851 18.028 -14.528 1.00 34.22 O ATOM 569 CB THR A 36 15.569 15.411 -15.757 1.00 33.03 C ATOM 570 OG1 THR A 36 15.320 16.585 -16.538 1.00 3.23 O ATOM 571 CG2 THR A 36 14.321 15.050 -14.964 1.00 65.54 C ATOM 0 H THR A 36 16.305 14.485 -13.134 1.00 2.40 H new ATOM 0 HA THR A 36 17.674 15.736 -15.413 1.00 31.14 H new ATOM 0 HB THR A 36 15.814 14.580 -16.419 1.00 33.03 H new ATOM 0 HG1 THR A 36 14.669 16.378 -17.241 1.00 3.23 H new ATOM 0 HG21 THR A 36 13.489 14.888 -15.649 1.00 65.54 H new ATOM 0 HG22 THR A 36 14.503 14.140 -14.393 1.00 65.54 H new ATOM 0 HG23 THR A 36 14.076 15.864 -14.281 1.00 65.54 H new ATOM 579 N GLY A 37 16.003 16.815 -12.833 1.00 1.42 N ATOM 580 CA GLY A 37 15.748 17.983 -12.010 1.00 54.30 C ATOM 581 C GLY A 37 17.021 18.705 -11.617 1.00 1.23 C ATOM 582 O GLY A 37 18.113 18.329 -12.042 1.00 25.45 O ATOM 0 H GLY A 37 15.739 15.926 -12.409 1.00 1.42 H new ATOM 0 HA2 GLY A 37 15.097 18.670 -12.551 1.00 54.30 H new ATOM 0 HA3 GLY A 37 15.214 17.680 -11.110 1.00 54.30 H new ATOM 586 N VAL A 38 16.882 19.748 -10.804 1.00 33.43 N ATOM 587 CA VAL A 38 18.030 20.525 -10.353 1.00 61.24 C ATOM 588 C VAL A 38 18.264 20.344 -8.858 1.00 13.13 C ATOM 589 O VAL A 38 17.317 20.303 -8.071 1.00 31.42 O ATOM 590 CB VAL A 38 17.847 22.024 -10.656 1.00 34.13 C ATOM 591 CG1 VAL A 38 16.412 22.452 -10.385 1.00 62.31 C ATOM 592 CG2 VAL A 38 18.823 22.855 -9.838 1.00 0.44 C ATOM 0 H VAL A 38 15.985 20.074 -10.444 1.00 33.43 H new ATOM 0 HA VAL A 38 18.897 20.155 -10.900 1.00 61.24 H new ATOM 0 HB VAL A 38 18.058 22.192 -11.712 1.00 34.13 H new ATOM 0 HG11 VAL A 38 16.301 23.514 -10.605 1.00 62.31 H new ATOM 0 HG12 VAL A 38 15.735 21.878 -11.018 1.00 62.31 H new ATOM 0 HG13 VAL A 38 16.170 22.271 -9.338 1.00 62.31 H new ATOM 0 HG21 VAL A 38 18.680 23.912 -10.064 1.00 0.44 H new ATOM 0 HG22 VAL A 38 18.645 22.684 -8.776 1.00 0.44 H new ATOM 0 HG23 VAL A 38 19.844 22.566 -10.086 1.00 0.44 H new ATOM 602 N LEU A 39 19.530 20.237 -8.471 1.00 41.41 N ATOM 603 CA LEU A 39 19.890 20.062 -7.068 1.00 74.42 C ATOM 604 C LEU A 39 19.288 21.169 -6.209 1.00 40.10 C ATOM 605 O LEU A 39 19.089 22.298 -6.658 1.00 74.12 O ATOM 606 CB LEU A 39 21.411 20.046 -6.909 1.00 51.52 C ATOM 607 CG LEU A 39 22.195 20.947 -7.865 1.00 34.13 C ATOM 608 CD1 LEU A 39 22.329 20.289 -9.229 1.00 72.31 C ATOM 609 CD2 LEU A 39 21.521 22.306 -7.990 1.00 22.20 C ATOM 0 H LEU A 39 20.325 20.268 -9.109 1.00 41.41 H new ATOM 0 HA LEU A 39 19.486 19.107 -6.731 1.00 74.42 H new ATOM 0 HB2 LEU A 39 21.653 20.337 -5.887 1.00 51.52 H new ATOM 0 HB3 LEU A 39 21.759 19.021 -7.039 1.00 51.52 H new ATOM 0 HG LEU A 39 23.195 21.096 -7.456 1.00 34.13 H new ATOM 0 HD11 LEU A 39 22.889 20.944 -9.896 1.00 72.31 H new ATOM 0 HD12 LEU A 39 22.856 19.340 -9.125 1.00 72.31 H new ATOM 0 HD13 LEU A 39 21.338 20.110 -9.645 1.00 72.31 H new ATOM 0 HD21 LEU A 39 22.092 22.934 -8.674 1.00 22.20 H new ATOM 0 HD22 LEU A 39 20.510 22.176 -8.375 1.00 22.20 H new ATOM 0 HD23 LEU A 39 21.478 22.782 -7.010 1.00 22.20 H new ATOM 621 N PRO A 40 18.993 20.842 -4.942 1.00 63.42 N ATOM 622 CA PRO A 40 18.413 21.796 -3.992 1.00 61.44 C ATOM 623 C PRO A 40 19.402 22.882 -3.585 1.00 3.13 C ATOM 624 O PRO A 40 19.006 23.959 -3.139 1.00 62.44 O ATOM 625 CB PRO A 40 18.052 20.922 -2.788 1.00 51.13 C ATOM 626 CG PRO A 40 18.979 19.759 -2.873 1.00 35.33 C ATOM 627 CD PRO A 40 19.204 19.515 -4.339 1.00 64.22 C ATOM 0 HA PRO A 40 17.564 22.331 -4.418 1.00 61.44 H new ATOM 0 HB2 PRO A 40 18.182 21.465 -1.852 1.00 51.13 H new ATOM 0 HB3 PRO A 40 17.011 20.602 -2.829 1.00 51.13 H new ATOM 0 HG2 PRO A 40 19.919 19.971 -2.364 1.00 35.33 H new ATOM 0 HG3 PRO A 40 18.548 18.881 -2.393 1.00 35.33 H new ATOM 0 HD2 PRO A 40 20.209 19.140 -4.534 1.00 64.22 H new ATOM 0 HD3 PRO A 40 18.506 18.778 -4.735 1.00 64.22 H new ATOM 635 N GLU A 41 20.690 22.592 -3.741 1.00 3.24 N ATOM 636 CA GLU A 41 21.735 23.546 -3.388 1.00 23.13 C ATOM 637 C GLU A 41 21.517 24.879 -4.097 1.00 43.22 C ATOM 638 O GLU A 41 21.735 25.945 -3.520 1.00 21.51 O ATOM 639 CB GLU A 41 23.112 22.984 -3.747 1.00 63.31 C ATOM 640 CG GLU A 41 24.245 23.979 -3.557 1.00 74.12 C ATOM 641 CD GLU A 41 25.601 23.308 -3.458 1.00 73.20 C ATOM 642 OE1 GLU A 41 26.152 22.925 -4.511 1.00 21.53 O ATOM 643 OE2 GLU A 41 26.111 23.166 -2.327 1.00 14.23 O ATOM 0 H GLU A 41 21.034 21.705 -4.109 1.00 3.24 H new ATOM 0 HA GLU A 41 21.689 23.715 -2.312 1.00 23.13 H new ATOM 0 HB2 GLU A 41 23.307 22.104 -3.134 1.00 63.31 H new ATOM 0 HB3 GLU A 41 23.101 22.653 -4.786 1.00 63.31 H new ATOM 0 HG2 GLU A 41 24.251 24.680 -4.391 1.00 74.12 H new ATOM 0 HG3 GLU A 41 24.065 24.561 -2.653 1.00 74.12 H new ATOM 650 N ARG A 42 21.087 24.811 -5.353 1.00 14.23 N ATOM 651 CA ARG A 42 20.841 26.012 -6.142 1.00 73.12 C ATOM 652 C ARG A 42 19.345 26.294 -6.251 1.00 1.44 C ATOM 653 O ARG A 42 18.914 27.444 -6.169 1.00 42.35 O ATOM 654 CB ARG A 42 21.445 25.862 -7.540 1.00 32.24 C ATOM 655 CG ARG A 42 22.901 26.290 -7.623 1.00 31.12 C ATOM 656 CD ARG A 42 23.819 25.100 -7.853 1.00 61.22 C ATOM 657 NE ARG A 42 25.204 25.400 -7.498 1.00 75.10 N ATOM 658 CZ ARG A 42 26.185 24.507 -7.549 1.00 65.32 C ATOM 659 NH1 ARG A 42 25.936 23.264 -7.939 1.00 43.32 N ATOM 660 NH2 ARG A 42 27.420 24.856 -7.210 1.00 71.12 N ATOM 0 H ARG A 42 20.902 23.937 -5.846 1.00 14.23 H new ATOM 0 HA ARG A 42 21.316 26.852 -5.636 1.00 73.12 H new ATOM 0 HB2 ARG A 42 21.363 24.821 -7.852 1.00 32.24 H new ATOM 0 HB3 ARG A 42 20.860 26.453 -8.245 1.00 32.24 H new ATOM 0 HG2 ARG A 42 23.025 27.008 -8.433 1.00 31.12 H new ATOM 0 HG3 ARG A 42 23.185 26.797 -6.701 1.00 31.12 H new ATOM 0 HD2 ARG A 42 23.469 24.253 -7.263 1.00 61.22 H new ATOM 0 HD3 ARG A 42 23.770 24.801 -8.900 1.00 61.22 H new ATOM 0 HE ARG A 42 25.430 26.347 -7.194 1.00 75.10 H new ATOM 0 HH11 ARG A 42 24.989 22.992 -8.201 1.00 43.32 H new ATOM 0 HH12 ARG A 42 26.692 22.580 -7.977 1.00 43.32 H new ATOM 0 HH21 ARG A 42 27.616 25.811 -6.910 1.00 71.12 H new ATOM 0 HH22 ARG A 42 28.173 24.169 -7.249 1.00 71.12 H new ATOM 674 N GLN A 43 18.560 25.238 -6.435 1.00 23.32 N ATOM 675 CA GLN A 43 17.114 25.373 -6.556 1.00 15.04 C ATOM 676 C GLN A 43 16.427 25.091 -5.223 1.00 62.42 C ATOM 677 O GLN A 43 16.982 24.412 -4.358 1.00 74.25 O ATOM 678 CB GLN A 43 16.579 24.424 -7.629 1.00 62.34 C ATOM 679 CG GLN A 43 16.243 23.038 -7.103 1.00 64.54 C ATOM 680 CD GLN A 43 14.834 22.948 -6.553 1.00 31.05 C ATOM 681 OE1 GLN A 43 14.013 23.841 -6.767 1.00 63.30 O ATOM 682 NE2 GLN A 43 14.545 21.867 -5.838 1.00 31.13 N ATOM 0 H GLN A 43 18.901 24.279 -6.504 1.00 23.32 H new ATOM 0 HA GLN A 43 16.894 26.400 -6.848 1.00 15.04 H new ATOM 0 HB2 GLN A 43 15.686 24.860 -8.075 1.00 62.34 H new ATOM 0 HB3 GLN A 43 17.320 24.332 -8.423 1.00 62.34 H new ATOM 0 HG2 GLN A 43 16.363 22.310 -7.906 1.00 64.54 H new ATOM 0 HG3 GLN A 43 16.952 22.769 -6.320 1.00 64.54 H new ATOM 0 HE21 GLN A 43 15.256 21.151 -5.685 1.00 31.13 H new ATOM 0 HE22 GLN A 43 13.612 21.752 -5.441 1.00 31.13 H new ATOM 691 N LYS A 44 15.217 25.616 -5.063 1.00 43.05 N ATOM 692 CA LYS A 44 14.454 25.420 -3.837 1.00 55.40 C ATOM 693 C LYS A 44 13.052 24.903 -4.145 1.00 41.14 C ATOM 694 O LYS A 44 12.424 25.324 -5.118 1.00 62.41 O ATOM 695 CB LYS A 44 14.364 26.732 -3.053 1.00 74.32 C ATOM 696 CG LYS A 44 13.685 27.853 -3.820 1.00 42.53 C ATOM 697 CD LYS A 44 12.179 27.833 -3.622 1.00 73.25 C ATOM 698 CE LYS A 44 11.632 29.228 -3.360 1.00 31.54 C ATOM 699 NZ LYS A 44 10.228 29.189 -2.864 1.00 22.41 N ATOM 0 H LYS A 44 14.744 26.181 -5.768 1.00 43.05 H new ATOM 0 HA LYS A 44 14.972 24.676 -3.232 1.00 55.40 H new ATOM 0 HB2 LYS A 44 13.819 26.555 -2.126 1.00 74.32 H new ATOM 0 HB3 LYS A 44 15.369 27.050 -2.776 1.00 74.32 H new ATOM 0 HG2 LYS A 44 14.083 28.813 -3.491 1.00 42.53 H new ATOM 0 HG3 LYS A 44 13.914 27.759 -4.881 1.00 42.53 H new ATOM 0 HD2 LYS A 44 11.700 27.414 -4.507 1.00 73.25 H new ATOM 0 HD3 LYS A 44 11.930 27.180 -2.785 1.00 73.25 H new ATOM 0 HE2 LYS A 44 12.262 29.734 -2.628 1.00 31.54 H new ATOM 0 HE3 LYS A 44 11.677 29.814 -4.278 1.00 31.54 H new ATOM 0 HZ1 LYS A 44 9.692 29.979 -3.277 1.00 22.41 H new ATOM 0 HZ2 LYS A 44 9.787 28.289 -3.141 1.00 22.41 H new ATOM 0 HZ3 LYS A 44 10.224 29.272 -1.827 1.00 22.41 H new ATOM 713 N LEU A 45 12.567 23.990 -3.311 1.00 54.33 N ATOM 714 CA LEU A 45 11.238 23.417 -3.494 1.00 71.51 C ATOM 715 C LEU A 45 10.155 24.468 -3.272 1.00 45.12 C ATOM 716 O LEU A 45 10.219 25.249 -2.321 1.00 74.53 O ATOM 717 CB LEU A 45 11.031 22.244 -2.534 1.00 15.23 C ATOM 718 CG LEU A 45 11.750 20.944 -2.896 1.00 12.40 C ATOM 719 CD1 LEU A 45 11.381 20.505 -4.304 1.00 73.23 C ATOM 720 CD2 LEU A 45 13.256 21.114 -2.766 1.00 44.40 C ATOM 0 H LEU A 45 13.074 23.631 -2.502 1.00 54.33 H new ATOM 0 HA LEU A 45 11.163 23.057 -4.520 1.00 71.51 H new ATOM 0 HB2 LEU A 45 11.358 22.552 -1.541 1.00 15.23 H new ATOM 0 HB3 LEU A 45 9.963 22.038 -2.469 1.00 15.23 H new ATOM 0 HG LEU A 45 11.431 20.168 -2.200 1.00 12.40 H new ATOM 0 HD11 LEU A 45 11.902 19.578 -4.544 1.00 73.23 H new ATOM 0 HD12 LEU A 45 10.305 20.342 -4.364 1.00 73.23 H new ATOM 0 HD13 LEU A 45 11.671 21.279 -5.014 1.00 73.23 H new ATOM 0 HD21 LEU A 45 13.752 20.179 -3.027 1.00 44.40 H new ATOM 0 HD22 LEU A 45 13.592 21.903 -3.438 1.00 44.40 H new ATOM 0 HD23 LEU A 45 13.505 21.382 -1.739 1.00 44.40 H new ATOM 732 N LEU A 46 9.162 24.482 -4.154 1.00 0.01 N ATOM 733 CA LEU A 46 8.063 25.436 -4.054 1.00 2.45 C ATOM 734 C LEU A 46 7.082 25.024 -2.961 1.00 75.45 C ATOM 735 O LEU A 46 7.057 25.610 -1.880 1.00 42.13 O ATOM 736 CB LEU A 46 7.335 25.549 -5.394 1.00 70.40 C ATOM 737 CG LEU A 46 8.029 26.389 -6.466 1.00 54.44 C ATOM 738 CD1 LEU A 46 8.301 27.794 -5.950 1.00 62.42 C ATOM 739 CD2 LEU A 46 9.322 25.723 -6.913 1.00 33.10 C ATOM 0 H LEU A 46 9.095 23.844 -4.947 1.00 0.01 H new ATOM 0 HA LEU A 46 8.481 26.408 -3.793 1.00 2.45 H new ATOM 0 HB2 LEU A 46 7.185 24.544 -5.789 1.00 70.40 H new ATOM 0 HB3 LEU A 46 6.347 25.971 -5.213 1.00 70.40 H new ATOM 0 HG LEU A 46 7.366 26.463 -7.328 1.00 54.44 H new ATOM 0 HD11 LEU A 46 8.795 28.377 -6.727 1.00 62.42 H new ATOM 0 HD12 LEU A 46 7.359 28.272 -5.682 1.00 62.42 H new ATOM 0 HD13 LEU A 46 8.944 27.741 -5.071 1.00 62.42 H new ATOM 0 HD21 LEU A 46 9.802 26.336 -7.676 1.00 33.10 H new ATOM 0 HD22 LEU A 46 9.991 25.617 -6.059 1.00 33.10 H new ATOM 0 HD23 LEU A 46 9.101 24.738 -7.324 1.00 33.10 H new ATOM 751 N GLY A 47 6.274 24.008 -3.252 1.00 31.13 N ATOM 752 CA GLY A 47 5.303 23.532 -2.284 1.00 12.42 C ATOM 753 C GLY A 47 5.813 22.351 -1.483 1.00 22.11 C ATOM 754 O GLY A 47 5.225 21.269 -1.514 1.00 55.31 O ATOM 0 H GLY A 47 6.275 23.507 -4.140 1.00 31.13 H new ATOM 0 HA2 GLY A 47 5.045 24.344 -1.604 1.00 12.42 H new ATOM 0 HA3 GLY A 47 4.388 23.247 -2.802 1.00 12.42 H new ATOM 758 N LEU A 48 6.912 22.556 -0.765 1.00 33.54 N ATOM 759 CA LEU A 48 7.503 21.498 0.047 1.00 31.54 C ATOM 760 C LEU A 48 6.492 20.951 1.050 1.00 74.22 C ATOM 761 O LEU A 48 6.622 19.824 1.528 1.00 72.31 O ATOM 762 CB LEU A 48 8.736 22.022 0.785 1.00 42.33 C ATOM 763 CG LEU A 48 8.520 23.258 1.659 1.00 43.33 C ATOM 764 CD1 LEU A 48 8.141 22.851 3.074 1.00 1.41 C ATOM 765 CD2 LEU A 48 9.768 24.129 1.668 1.00 1.23 C ATOM 0 H LEU A 48 7.412 23.445 -0.729 1.00 33.54 H new ATOM 0 HA LEU A 48 7.802 20.688 -0.619 1.00 31.54 H new ATOM 0 HB2 LEU A 48 9.126 21.221 1.413 1.00 42.33 H new ATOM 0 HB3 LEU A 48 9.505 22.253 0.048 1.00 42.33 H new ATOM 0 HG LEU A 48 7.699 23.839 1.238 1.00 43.33 H new ATOM 0 HD11 LEU A 48 7.991 23.744 3.682 1.00 1.41 H new ATOM 0 HD12 LEU A 48 7.220 22.269 3.051 1.00 1.41 H new ATOM 0 HD13 LEU A 48 8.940 22.248 3.506 1.00 1.41 H new ATOM 0 HD21 LEU A 48 9.596 25.004 2.295 1.00 1.23 H new ATOM 0 HD22 LEU A 48 10.608 23.558 2.064 1.00 1.23 H new ATOM 0 HD23 LEU A 48 9.995 24.450 0.651 1.00 1.23 H new ATOM 777 N LYS A 49 5.482 21.756 1.363 1.00 71.13 N ATOM 778 CA LYS A 49 4.445 21.353 2.305 1.00 21.13 C ATOM 779 C LYS A 49 3.142 21.035 1.578 1.00 3.32 C ATOM 780 O LYS A 49 2.784 21.701 0.607 1.00 54.22 O ATOM 781 CB LYS A 49 4.209 22.457 3.338 1.00 10.03 C ATOM 782 CG LYS A 49 4.677 23.828 2.881 1.00 24.32 C ATOM 783 CD LYS A 49 4.229 24.918 3.839 1.00 13.43 C ATOM 784 CE LYS A 49 5.408 25.735 4.345 1.00 14.44 C ATOM 785 NZ LYS A 49 4.964 26.933 5.112 1.00 65.13 N ATOM 0 H LYS A 49 5.360 22.692 0.977 1.00 71.13 H new ATOM 0 HA LYS A 49 4.784 20.452 2.816 1.00 21.13 H new ATOM 0 HB2 LYS A 49 3.145 22.504 3.570 1.00 10.03 H new ATOM 0 HB3 LYS A 49 4.725 22.195 4.262 1.00 10.03 H new ATOM 0 HG2 LYS A 49 5.764 23.835 2.803 1.00 24.32 H new ATOM 0 HG3 LYS A 49 4.285 24.034 1.885 1.00 24.32 H new ATOM 0 HD2 LYS A 49 3.518 25.575 3.338 1.00 13.43 H new ATOM 0 HD3 LYS A 49 3.707 24.469 4.684 1.00 13.43 H new ATOM 0 HE2 LYS A 49 6.037 25.110 4.979 1.00 14.44 H new ATOM 0 HE3 LYS A 49 6.020 26.051 3.500 1.00 14.44 H new ATOM 0 HZ1 LYS A 49 5.796 27.463 5.440 1.00 65.13 H new ATOM 0 HZ2 LYS A 49 4.384 27.542 4.500 1.00 65.13 H new ATOM 0 HZ3 LYS A 49 4.401 26.631 5.933 1.00 65.13 H new ATOM 799 N VAL A 50 2.437 20.015 2.056 1.00 71.24 N ATOM 800 CA VAL A 50 1.172 19.611 1.452 1.00 24.15 C ATOM 801 C VAL A 50 0.184 19.139 2.513 1.00 53.42 C ATOM 802 O VAL A 50 0.568 18.521 3.506 1.00 43.24 O ATOM 803 CB VAL A 50 1.377 18.486 0.420 1.00 32.05 C ATOM 804 CG1 VAL A 50 0.090 18.224 -0.347 1.00 14.54 C ATOM 805 CG2 VAL A 50 2.512 18.835 -0.530 1.00 50.31 C ATOM 0 H VAL A 50 2.720 19.453 2.859 1.00 71.24 H new ATOM 0 HA VAL A 50 0.767 20.488 0.946 1.00 24.15 H new ATOM 0 HB VAL A 50 1.647 17.574 0.952 1.00 32.05 H new ATOM 0 HG11 VAL A 50 0.254 17.426 -1.071 1.00 14.54 H new ATOM 0 HG12 VAL A 50 -0.694 17.926 0.349 1.00 14.54 H new ATOM 0 HG13 VAL A 50 -0.214 19.131 -0.869 1.00 14.54 H new ATOM 0 HG21 VAL A 50 2.643 18.029 -1.252 1.00 50.31 H new ATOM 0 HG22 VAL A 50 2.274 19.759 -1.057 1.00 50.31 H new ATOM 0 HG23 VAL A 50 3.433 18.967 0.037 1.00 50.31 H new ATOM 815 N LYS A 51 -1.093 19.435 2.296 1.00 75.11 N ATOM 816 CA LYS A 51 -2.140 19.040 3.231 1.00 11.32 C ATOM 817 C LYS A 51 -1.825 19.534 4.640 1.00 74.32 C ATOM 818 O LYS A 51 -2.165 18.882 5.627 1.00 40.25 O ATOM 819 CB LYS A 51 -2.301 17.518 3.236 1.00 4.45 C ATOM 820 CG LYS A 51 -2.864 16.962 1.941 1.00 75.34 C ATOM 821 CD LYS A 51 -4.359 17.213 1.829 1.00 2.41 C ATOM 822 CE LYS A 51 -5.147 16.317 2.772 1.00 61.34 C ATOM 823 NZ LYS A 51 -5.950 15.304 2.032 1.00 53.43 N ATOM 0 H LYS A 51 -1.428 19.947 1.480 1.00 75.11 H new ATOM 0 HA LYS A 51 -3.075 19.496 2.905 1.00 11.32 H new ATOM 0 HB2 LYS A 51 -1.331 17.059 3.427 1.00 4.45 H new ATOM 0 HB3 LYS A 51 -2.956 17.233 4.059 1.00 4.45 H new ATOM 0 HG2 LYS A 51 -2.353 17.421 1.095 1.00 75.34 H new ATOM 0 HG3 LYS A 51 -2.669 15.891 1.889 1.00 75.34 H new ATOM 0 HD2 LYS A 51 -4.572 18.258 2.056 1.00 2.41 H new ATOM 0 HD3 LYS A 51 -4.683 17.037 0.803 1.00 2.41 H new ATOM 0 HE2 LYS A 51 -4.461 15.811 3.451 1.00 61.34 H new ATOM 0 HE3 LYS A 51 -5.809 16.928 3.385 1.00 61.34 H new ATOM 0 HZ1 LYS A 51 -6.473 14.713 2.710 1.00 53.43 H new ATOM 0 HZ2 LYS A 51 -6.623 15.787 1.403 1.00 53.43 H new ATOM 0 HZ3 LYS A 51 -5.316 14.704 1.466 1.00 53.43 H new ATOM 837 N GLY A 52 -1.175 20.690 4.725 1.00 11.45 N ATOM 838 CA GLY A 52 -0.827 21.252 6.018 1.00 71.23 C ATOM 839 C GLY A 52 0.475 20.697 6.559 1.00 25.00 C ATOM 840 O GLY A 52 1.055 21.251 7.493 1.00 0.41 O ATOM 0 H GLY A 52 -0.883 21.248 3.922 1.00 11.45 H new ATOM 0 HA2 GLY A 52 -0.748 22.336 5.930 1.00 71.23 H new ATOM 0 HA3 GLY A 52 -1.629 21.047 6.728 1.00 71.23 H new ATOM 844 N LYS A 53 0.938 19.598 5.973 1.00 75.32 N ATOM 845 CA LYS A 53 2.180 18.966 6.401 1.00 32.03 C ATOM 846 C LYS A 53 3.388 19.677 5.799 1.00 14.03 C ATOM 847 O LYS A 53 3.331 20.222 4.697 1.00 65.13 O ATOM 848 CB LYS A 53 2.191 17.490 5.998 1.00 33.33 C ATOM 849 CG LYS A 53 1.216 16.636 6.791 1.00 64.40 C ATOM 850 CD LYS A 53 1.549 16.640 8.274 1.00 43.34 C ATOM 851 CE LYS A 53 1.621 15.228 8.833 1.00 22.22 C ATOM 852 NZ LYS A 53 2.474 15.157 10.052 1.00 71.20 N ATOM 0 H LYS A 53 0.471 19.126 5.199 1.00 75.32 H new ATOM 0 HA LYS A 53 2.240 19.040 7.487 1.00 32.03 H new ATOM 0 HB2 LYS A 53 1.952 17.410 4.938 1.00 33.33 H new ATOM 0 HB3 LYS A 53 3.198 17.094 6.129 1.00 33.33 H new ATOM 0 HG2 LYS A 53 0.202 17.008 6.644 1.00 64.40 H new ATOM 0 HG3 LYS A 53 1.238 15.613 6.415 1.00 64.40 H new ATOM 0 HD2 LYS A 53 2.502 17.144 8.432 1.00 43.34 H new ATOM 0 HD3 LYS A 53 0.794 17.209 8.816 1.00 43.34 H new ATOM 0 HE2 LYS A 53 0.616 14.880 9.072 1.00 22.22 H new ATOM 0 HE3 LYS A 53 2.018 14.556 8.072 1.00 22.22 H new ATOM 0 HZ1 LYS A 53 2.498 14.178 10.403 1.00 71.20 H new ATOM 0 HZ2 LYS A 53 3.440 15.464 9.818 1.00 71.20 H new ATOM 0 HZ3 LYS A 53 2.081 15.779 10.787 1.00 71.20 H new ATOM 866 N PRO A 54 4.507 19.672 6.538 1.00 62.21 N ATOM 867 CA PRO A 54 5.750 20.310 6.096 1.00 44.45 C ATOM 868 C PRO A 54 6.399 19.571 4.930 1.00 52.40 C ATOM 869 O PRO A 54 6.986 20.188 4.042 1.00 64.03 O ATOM 870 CB PRO A 54 6.645 20.242 7.336 1.00 51.52 C ATOM 871 CG PRO A 54 6.128 19.081 8.112 1.00 21.04 C ATOM 872 CD PRO A 54 4.646 19.041 7.861 1.00 10.55 C ATOM 0 HA PRO A 54 5.580 21.323 5.731 1.00 44.45 H new ATOM 0 HB2 PRO A 54 7.691 20.101 7.062 1.00 51.52 H new ATOM 0 HB3 PRO A 54 6.588 21.163 7.916 1.00 51.52 H new ATOM 0 HG2 PRO A 54 6.603 18.154 7.791 1.00 21.04 H new ATOM 0 HG3 PRO A 54 6.341 19.196 9.175 1.00 21.04 H new ATOM 0 HD2 PRO A 54 4.266 18.019 7.861 1.00 10.55 H new ATOM 0 HD3 PRO A 54 4.094 19.586 8.626 1.00 10.55 H new ATOM 880 N ALA A 55 6.288 18.247 4.940 1.00 54.14 N ATOM 881 CA ALA A 55 6.861 17.425 3.882 1.00 61.34 C ATOM 882 C ALA A 55 8.208 17.976 3.426 1.00 12.43 C ATOM 883 O ALA A 55 8.509 17.996 2.233 1.00 21.45 O ATOM 884 CB ALA A 55 5.901 17.333 2.705 1.00 52.41 C ATOM 0 H ALA A 55 5.806 17.721 5.669 1.00 54.14 H new ATOM 0 HA ALA A 55 7.024 16.425 4.283 1.00 61.34 H new ATOM 0 HB1 ALA A 55 6.343 16.716 1.923 1.00 52.41 H new ATOM 0 HB2 ALA A 55 4.963 16.885 3.034 1.00 52.41 H new ATOM 0 HB3 ALA A 55 5.708 18.332 2.314 1.00 52.41 H new ATOM 890 N GLU A 56 9.013 18.425 4.384 1.00 20.34 N ATOM 891 CA GLU A 56 10.327 18.978 4.080 1.00 42.42 C ATOM 892 C GLU A 56 11.266 17.895 3.558 1.00 25.31 C ATOM 893 O GLU A 56 11.531 17.812 2.360 1.00 53.25 O ATOM 894 CB GLU A 56 10.929 19.635 5.324 1.00 63.02 C ATOM 895 CG GLU A 56 12.349 20.138 5.120 1.00 33.52 C ATOM 896 CD GLU A 56 12.471 21.636 5.316 1.00 13.23 C ATOM 897 OE1 GLU A 56 12.140 22.120 6.419 1.00 60.20 O ATOM 898 OE2 GLU A 56 12.897 22.325 4.366 1.00 5.31 O ATOM 0 H GLU A 56 8.778 18.416 5.377 1.00 20.34 H new ATOM 0 HA GLU A 56 10.204 19.733 3.303 1.00 42.42 H new ATOM 0 HB2 GLU A 56 10.297 20.470 5.626 1.00 63.02 H new ATOM 0 HB3 GLU A 56 10.921 18.917 6.144 1.00 63.02 H new ATOM 0 HG2 GLU A 56 13.014 19.629 5.817 1.00 33.52 H new ATOM 0 HG3 GLU A 56 12.681 19.879 4.115 1.00 33.52 H new ATOM 905 N ASN A 57 11.768 17.066 4.468 1.00 11.14 N ATOM 906 CA ASN A 57 12.679 15.988 4.101 1.00 12.02 C ATOM 907 C ASN A 57 12.617 14.853 5.119 1.00 4.53 C ATOM 908 O ASN A 57 12.675 13.678 4.758 1.00 30.13 O ATOM 909 CB ASN A 57 14.111 16.516 3.995 1.00 11.21 C ATOM 910 CG ASN A 57 14.389 17.635 4.981 1.00 71.15 C ATOM 911 OD1 ASN A 57 13.974 17.575 6.138 1.00 21.11 O ATOM 912 ND2 ASN A 57 15.094 18.663 4.524 1.00 4.32 N ATOM 0 H ASN A 57 11.559 17.120 5.465 1.00 11.14 H new ATOM 0 HA ASN A 57 12.370 15.599 3.131 1.00 12.02 H new ATOM 0 HB2 ASN A 57 14.811 15.699 4.170 1.00 11.21 H new ATOM 0 HB3 ASN A 57 14.289 16.876 2.982 1.00 11.21 H new ATOM 0 HD21 ASN A 57 15.312 19.446 5.140 1.00 4.32 H new ATOM 0 HD22 ASN A 57 15.418 18.670 3.557 1.00 4.32 H new ATOM 919 N ASP A 58 12.500 15.214 6.392 1.00 13.34 N ATOM 920 CA ASP A 58 12.429 14.227 7.463 1.00 14.24 C ATOM 921 C ASP A 58 11.074 13.526 7.467 1.00 13.23 C ATOM 922 O ASP A 58 10.826 12.636 8.280 1.00 31.35 O ATOM 923 CB ASP A 58 12.676 14.894 8.818 1.00 74.14 C ATOM 924 CG ASP A 58 14.145 15.169 9.068 1.00 43.21 C ATOM 925 OD1 ASP A 58 14.983 14.671 8.288 1.00 61.33 O ATOM 926 OD2 ASP A 58 14.458 15.882 10.045 1.00 51.35 O ATOM 0 H ASP A 58 12.452 16.183 6.707 1.00 13.34 H new ATOM 0 HA ASP A 58 13.204 13.481 7.288 1.00 14.24 H new ATOM 0 HB2 ASP A 58 12.121 15.831 8.865 1.00 74.14 H new ATOM 0 HB3 ASP A 58 12.289 14.254 9.611 1.00 74.14 H new ATOM 931 N VAL A 59 10.199 13.935 6.554 1.00 60.25 N ATOM 932 CA VAL A 59 8.869 13.346 6.451 1.00 10.33 C ATOM 933 C VAL A 59 8.851 12.200 5.447 1.00 62.51 C ATOM 934 O VAL A 59 9.591 12.210 4.462 1.00 34.25 O ATOM 935 CB VAL A 59 7.821 14.396 6.034 1.00 24.44 C ATOM 936 CG1 VAL A 59 6.469 14.074 6.651 1.00 13.44 C ATOM 937 CG2 VAL A 59 8.279 15.791 6.430 1.00 2.31 C ATOM 0 H VAL A 59 10.387 14.672 5.875 1.00 60.25 H new ATOM 0 HA VAL A 59 8.616 12.963 7.439 1.00 10.33 H new ATOM 0 HB VAL A 59 7.714 14.368 4.950 1.00 24.44 H new ATOM 0 HG11 VAL A 59 5.741 14.826 6.346 1.00 13.44 H new ATOM 0 HG12 VAL A 59 6.139 13.092 6.313 1.00 13.44 H new ATOM 0 HG13 VAL A 59 6.556 14.073 7.738 1.00 13.44 H new ATOM 0 HG21 VAL A 59 7.527 16.520 6.128 1.00 2.31 H new ATOM 0 HG22 VAL A 59 8.415 15.836 7.511 1.00 2.31 H new ATOM 0 HG23 VAL A 59 9.224 16.018 5.936 1.00 2.31 H new ATOM 947 N LYS A 60 8.001 11.211 5.702 1.00 62.55 N ATOM 948 CA LYS A 60 7.884 10.055 4.819 1.00 1.54 C ATOM 949 C LYS A 60 6.819 10.291 3.753 1.00 44.01 C ATOM 950 O LYS A 60 5.821 10.969 3.997 1.00 14.23 O ATOM 951 CB LYS A 60 7.542 8.802 5.629 1.00 40.43 C ATOM 952 CG LYS A 60 8.704 8.274 6.452 1.00 11.22 C ATOM 953 CD LYS A 60 8.681 6.757 6.540 1.00 40.40 C ATOM 954 CE LYS A 60 9.217 6.268 7.877 1.00 41.43 C ATOM 955 NZ LYS A 60 8.280 5.317 8.536 1.00 53.32 N ATOM 0 H LYS A 60 7.383 11.186 6.513 1.00 62.55 H new ATOM 0 HA LYS A 60 8.843 9.909 4.323 1.00 1.54 H new ATOM 0 HB2 LYS A 60 6.708 9.026 6.295 1.00 40.43 H new ATOM 0 HB3 LYS A 60 7.205 8.020 4.948 1.00 40.43 H new ATOM 0 HG2 LYS A 60 9.644 8.599 6.006 1.00 11.22 H new ATOM 0 HG3 LYS A 60 8.663 8.698 7.455 1.00 11.22 H new ATOM 0 HD2 LYS A 60 7.661 6.399 6.403 1.00 40.40 H new ATOM 0 HD3 LYS A 60 9.278 6.335 5.731 1.00 40.40 H new ATOM 0 HE2 LYS A 60 10.181 5.782 7.726 1.00 41.43 H new ATOM 0 HE3 LYS A 60 9.389 7.121 8.533 1.00 41.43 H new ATOM 0 HZ1 LYS A 60 8.681 5.007 9.444 1.00 53.32 H new ATOM 0 HZ2 LYS A 60 7.368 5.788 8.703 1.00 53.32 H new ATOM 0 HZ3 LYS A 60 8.135 4.491 7.922 1.00 53.32 H new ATOM 969 N LEU A 61 7.038 9.726 2.571 1.00 51.35 N ATOM 970 CA LEU A 61 6.096 9.874 1.466 1.00 32.44 C ATOM 971 C LEU A 61 4.685 9.489 1.899 1.00 31.55 C ATOM 972 O LEU A 61 3.708 10.124 1.505 1.00 42.11 O ATOM 973 CB LEU A 61 6.531 9.011 0.280 1.00 12.04 C ATOM 974 CG LEU A 61 8.021 9.042 -0.061 1.00 51.03 C ATOM 975 CD1 LEU A 61 8.321 8.110 -1.225 1.00 2.10 C ATOM 976 CD2 LEU A 61 8.465 10.461 -0.384 1.00 54.41 C ATOM 0 H LEU A 61 7.859 9.161 2.353 1.00 51.35 H new ATOM 0 HA LEU A 61 6.091 10.921 1.163 1.00 32.44 H new ATOM 0 HB2 LEU A 61 6.247 7.979 0.484 1.00 12.04 H new ATOM 0 HB3 LEU A 61 5.971 9.328 -0.599 1.00 12.04 H new ATOM 0 HG LEU A 61 8.580 8.697 0.808 1.00 51.03 H new ATOM 0 HD11 LEU A 61 9.386 8.145 -1.454 1.00 2.10 H new ATOM 0 HD12 LEU A 61 8.041 7.091 -0.957 1.00 2.10 H new ATOM 0 HD13 LEU A 61 7.751 8.425 -2.099 1.00 2.10 H new ATOM 0 HD21 LEU A 61 9.528 10.464 -0.624 1.00 54.41 H new ATOM 0 HD22 LEU A 61 7.899 10.834 -1.238 1.00 54.41 H new ATOM 0 HD23 LEU A 61 8.286 11.103 0.478 1.00 54.41 H new ATOM 988 N GLY A 62 4.586 8.444 2.716 1.00 62.30 N ATOM 989 CA GLY A 62 3.291 7.993 3.191 1.00 0.30 C ATOM 990 C GLY A 62 2.726 8.892 4.273 1.00 33.10 C ATOM 991 O GLY A 62 1.531 8.846 4.566 1.00 44.11 O ATOM 0 H GLY A 62 5.380 7.902 3.057 1.00 62.30 H new ATOM 0 HA2 GLY A 62 2.594 7.954 2.354 1.00 0.30 H new ATOM 0 HA3 GLY A 62 3.382 6.978 3.577 1.00 0.30 H new ATOM 995 N ALA A 63 3.586 9.710 4.870 1.00 42.34 N ATOM 996 CA ALA A 63 3.166 10.623 5.925 1.00 13.51 C ATOM 997 C ALA A 63 2.607 11.917 5.342 1.00 72.33 C ATOM 998 O ALA A 63 1.885 12.653 6.016 1.00 40.04 O ATOM 999 CB ALA A 63 4.329 10.923 6.858 1.00 24.15 C ATOM 0 H ALA A 63 4.579 9.759 4.641 1.00 42.34 H new ATOM 0 HA ALA A 63 2.373 10.139 6.494 1.00 13.51 H new ATOM 0 HB1 ALA A 63 4.000 11.606 7.641 1.00 24.15 H new ATOM 0 HB2 ALA A 63 4.681 9.996 7.310 1.00 24.15 H new ATOM 0 HB3 ALA A 63 5.140 11.382 6.293 1.00 24.15 H new ATOM 1005 N LEU A 64 2.945 12.188 4.086 1.00 12.30 N ATOM 1006 CA LEU A 64 2.477 13.394 3.411 1.00 11.24 C ATOM 1007 C LEU A 64 1.090 13.180 2.814 1.00 50.44 C ATOM 1008 O LEU A 64 0.365 14.137 2.540 1.00 44.51 O ATOM 1009 CB LEU A 64 3.461 13.802 2.313 1.00 14.45 C ATOM 1010 CG LEU A 64 4.890 13.280 2.464 1.00 33.15 C ATOM 1011 CD1 LEU A 64 5.733 13.677 1.263 1.00 71.44 C ATOM 1012 CD2 LEU A 64 5.514 13.799 3.751 1.00 2.23 C ATOM 0 H LEU A 64 3.541 11.589 3.515 1.00 12.30 H new ATOM 0 HA LEU A 64 2.415 14.193 4.149 1.00 11.24 H new ATOM 0 HB2 LEU A 64 3.069 13.458 1.356 1.00 14.45 H new ATOM 0 HB3 LEU A 64 3.496 14.891 2.270 1.00 14.45 H new ATOM 0 HG LEU A 64 4.855 12.192 2.514 1.00 33.15 H new ATOM 0 HD11 LEU A 64 6.747 13.297 1.388 1.00 71.44 H new ATOM 0 HD12 LEU A 64 5.297 13.256 0.357 1.00 71.44 H new ATOM 0 HD13 LEU A 64 5.761 14.764 1.181 1.00 71.44 H new ATOM 0 HD21 LEU A 64 6.531 13.417 3.842 1.00 2.23 H new ATOM 0 HD22 LEU A 64 5.536 14.889 3.731 1.00 2.23 H new ATOM 0 HD23 LEU A 64 4.923 13.463 4.603 1.00 2.23 H new ATOM 1024 N LYS A 65 0.725 11.918 2.615 1.00 1.31 N ATOM 1025 CA LYS A 65 -0.576 11.577 2.053 1.00 33.22 C ATOM 1026 C LYS A 65 -0.806 12.303 0.731 1.00 23.25 C ATOM 1027 O LYS A 65 -1.899 12.805 0.469 1.00 74.32 O ATOM 1028 CB LYS A 65 -1.690 11.930 3.041 1.00 10.35 C ATOM 1029 CG LYS A 65 -1.456 11.389 4.441 1.00 5.42 C ATOM 1030 CD LYS A 65 -1.610 9.879 4.488 1.00 34.54 C ATOM 1031 CE LYS A 65 -1.205 9.319 5.843 1.00 22.42 C ATOM 1032 NZ LYS A 65 -2.389 9.002 6.689 1.00 24.23 N ATOM 0 H LYS A 65 1.313 11.114 2.835 1.00 1.31 H new ATOM 0 HA LYS A 65 -0.592 10.503 1.865 1.00 33.22 H new ATOM 0 HB2 LYS A 65 -1.789 13.014 3.092 1.00 10.35 H new ATOM 0 HB3 LYS A 65 -2.636 11.541 2.664 1.00 10.35 H new ATOM 0 HG2 LYS A 65 -0.456 11.664 4.776 1.00 5.42 H new ATOM 0 HG3 LYS A 65 -2.162 11.849 5.133 1.00 5.42 H new ATOM 0 HD2 LYS A 65 -2.645 9.611 4.277 1.00 34.54 H new ATOM 0 HD3 LYS A 65 -0.998 9.425 3.708 1.00 34.54 H new ATOM 0 HE2 LYS A 65 -0.609 8.418 5.700 1.00 22.42 H new ATOM 0 HE3 LYS A 65 -0.572 10.041 6.360 1.00 22.42 H new ATOM 0 HZ1 LYS A 65 -2.071 8.623 7.604 1.00 24.23 H new ATOM 0 HZ2 LYS A 65 -2.944 9.867 6.847 1.00 24.23 H new ATOM 0 HZ3 LYS A 65 -2.980 8.294 6.208 1.00 24.23 H new ATOM 1046 N LEU A 66 0.231 12.354 -0.098 1.00 31.23 N ATOM 1047 CA LEU A 66 0.142 13.017 -1.394 1.00 12.21 C ATOM 1048 C LEU A 66 -0.242 12.026 -2.488 1.00 21.12 C ATOM 1049 O LEU A 66 0.059 10.835 -2.396 1.00 14.55 O ATOM 1050 CB LEU A 66 1.474 13.685 -1.740 1.00 12.34 C ATOM 1051 CG LEU A 66 1.585 15.174 -1.407 1.00 34.44 C ATOM 1052 CD1 LEU A 66 3.043 15.582 -1.267 1.00 52.33 C ATOM 1053 CD2 LEU A 66 0.893 16.011 -2.472 1.00 44.44 C ATOM 0 H LEU A 66 1.143 11.944 0.104 1.00 31.23 H new ATOM 0 HA LEU A 66 -0.634 13.779 -1.331 1.00 12.21 H new ATOM 0 HB2 LEU A 66 2.270 13.156 -1.216 1.00 12.34 H new ATOM 0 HB3 LEU A 66 1.655 13.557 -2.807 1.00 12.34 H new ATOM 0 HG LEU A 66 1.087 15.353 -0.454 1.00 34.44 H new ATOM 0 HD11 LEU A 66 3.102 16.644 -1.030 1.00 52.33 H new ATOM 0 HD12 LEU A 66 3.507 15.005 -0.467 1.00 52.33 H new ATOM 0 HD13 LEU A 66 3.566 15.389 -2.204 1.00 52.33 H new ATOM 0 HD21 LEU A 66 0.982 17.068 -2.219 1.00 44.44 H new ATOM 0 HD22 LEU A 66 1.361 15.829 -3.439 1.00 44.44 H new ATOM 0 HD23 LEU A 66 -0.161 15.737 -2.522 1.00 44.44 H new ATOM 1065 N LYS A 67 -0.906 12.525 -3.525 1.00 31.12 N ATOM 1066 CA LYS A 67 -1.328 11.685 -4.639 1.00 54.14 C ATOM 1067 C LYS A 67 -0.125 11.196 -5.439 1.00 21.35 C ATOM 1068 O LYS A 67 0.964 11.766 -5.378 1.00 4.40 O ATOM 1069 CB LYS A 67 -2.282 12.458 -5.554 1.00 64.52 C ATOM 1070 CG LYS A 67 -3.749 12.242 -5.225 1.00 44.02 C ATOM 1071 CD LYS A 67 -4.416 13.533 -4.781 1.00 70.14 C ATOM 1072 CE LYS A 67 -4.642 14.475 -5.954 1.00 4.43 C ATOM 1073 NZ LYS A 67 -5.792 15.391 -5.716 1.00 71.43 N ATOM 0 H LYS A 67 -1.164 13.508 -3.617 1.00 31.12 H new ATOM 0 HA LYS A 67 -1.847 10.818 -4.231 1.00 54.14 H new ATOM 0 HB2 LYS A 67 -2.056 13.522 -5.485 1.00 64.52 H new ATOM 0 HB3 LYS A 67 -2.102 12.160 -6.587 1.00 64.52 H new ATOM 0 HG2 LYS A 67 -4.265 11.847 -6.100 1.00 44.02 H new ATOM 0 HG3 LYS A 67 -3.840 11.494 -4.437 1.00 44.02 H new ATOM 0 HD2 LYS A 67 -5.370 13.306 -4.306 1.00 70.14 H new ATOM 0 HD3 LYS A 67 -3.796 14.025 -4.032 1.00 70.14 H new ATOM 0 HE2 LYS A 67 -3.740 15.062 -6.127 1.00 4.43 H new ATOM 0 HE3 LYS A 67 -4.822 13.893 -6.858 1.00 4.43 H new ATOM 0 HZ1 LYS A 67 -5.913 16.017 -6.538 1.00 71.43 H new ATOM 0 HZ2 LYS A 67 -6.658 14.832 -5.576 1.00 71.43 H new ATOM 0 HZ3 LYS A 67 -5.609 15.965 -4.868 1.00 71.43 H new ATOM 1087 N PRO A 68 -0.324 10.115 -6.207 1.00 63.41 N ATOM 1088 CA PRO A 68 0.734 9.526 -7.035 1.00 13.44 C ATOM 1089 C PRO A 68 1.110 10.417 -8.214 1.00 73.31 C ATOM 1090 O PRO A 68 2.277 10.501 -8.592 1.00 42.53 O ATOM 1091 CB PRO A 68 0.111 8.218 -7.529 1.00 51.52 C ATOM 1092 CG PRO A 68 -1.359 8.461 -7.491 1.00 24.50 C ATOM 1093 CD PRO A 68 -1.596 9.383 -6.328 1.00 12.52 C ATOM 0 HA PRO A 68 1.660 9.388 -6.477 1.00 13.44 H new ATOM 0 HB2 PRO A 68 0.446 7.976 -8.537 1.00 51.52 H new ATOM 0 HB3 PRO A 68 0.391 7.380 -6.890 1.00 51.52 H new ATOM 0 HG2 PRO A 68 -1.704 8.910 -8.422 1.00 24.50 H new ATOM 0 HG3 PRO A 68 -1.906 7.526 -7.366 1.00 24.50 H new ATOM 0 HD2 PRO A 68 -2.432 10.058 -6.514 1.00 12.52 H new ATOM 0 HD3 PRO A 68 -1.829 8.830 -5.418 1.00 12.52 H new ATOM 1101 N ASN A 69 0.112 11.079 -8.791 1.00 3.31 N ATOM 1102 CA ASN A 69 0.339 11.964 -9.928 1.00 61.21 C ATOM 1103 C ASN A 69 0.899 13.307 -9.469 1.00 73.04 C ATOM 1104 O ASN A 69 1.425 14.080 -10.271 1.00 21.21 O ATOM 1105 CB ASN A 69 -0.963 12.179 -10.701 1.00 75.45 C ATOM 1106 CG ASN A 69 -1.663 10.874 -11.030 1.00 22.32 C ATOM 1107 OD1 ASN A 69 -1.283 10.171 -11.967 1.00 3.42 O ATOM 1108 ND2 ASN A 69 -2.691 10.543 -10.258 1.00 14.34 N ATOM 0 H ASN A 69 -0.861 11.019 -8.490 1.00 3.31 H new ATOM 0 HA ASN A 69 1.070 11.491 -10.584 1.00 61.21 H new ATOM 0 HB2 ASN A 69 -1.631 12.808 -10.113 1.00 75.45 H new ATOM 0 HB3 ASN A 69 -0.749 12.716 -11.625 1.00 75.45 H new ATOM 0 HD21 ASN A 69 -3.200 9.676 -10.431 1.00 14.34 H new ATOM 0 HD22 ASN A 69 -2.972 11.156 -9.492 1.00 14.34 H new ATOM 1115 N THR A 70 0.782 13.579 -8.173 1.00 51.23 N ATOM 1116 CA THR A 70 1.275 14.828 -7.607 1.00 41.43 C ATOM 1117 C THR A 70 2.512 15.318 -8.351 1.00 2.41 C ATOM 1118 O THR A 70 3.478 14.576 -8.528 1.00 60.40 O ATOM 1119 CB THR A 70 1.616 14.672 -6.113 1.00 43.13 C ATOM 1120 OG1 THR A 70 0.428 14.385 -5.367 1.00 4.31 O ATOM 1121 CG2 THR A 70 2.269 15.935 -5.572 1.00 52.23 C ATOM 0 H THR A 70 0.350 12.951 -7.496 1.00 51.23 H new ATOM 0 HA THR A 70 0.476 15.561 -7.715 1.00 41.43 H new ATOM 0 HB THR A 70 2.319 13.846 -6.008 1.00 43.13 H new ATOM 0 HG1 THR A 70 0.471 13.468 -5.024 1.00 4.31 H new ATOM 0 HG21 THR A 70 2.501 15.801 -4.515 1.00 52.23 H new ATOM 0 HG22 THR A 70 3.188 16.134 -6.123 1.00 52.23 H new ATOM 0 HG23 THR A 70 1.586 16.777 -5.690 1.00 52.23 H new ATOM 1129 N LYS A 71 2.478 16.574 -8.784 1.00 73.02 N ATOM 1130 CA LYS A 71 3.597 17.165 -9.508 1.00 1.45 C ATOM 1131 C LYS A 71 4.478 17.985 -8.570 1.00 64.14 C ATOM 1132 O LYS A 71 3.989 18.596 -7.620 1.00 2.30 O ATOM 1133 CB LYS A 71 3.085 18.050 -10.647 1.00 32.25 C ATOM 1134 CG LYS A 71 1.972 17.411 -11.460 1.00 24.23 C ATOM 1135 CD LYS A 71 0.632 18.071 -11.186 1.00 54.20 C ATOM 1136 CE LYS A 71 0.578 19.481 -11.756 1.00 32.53 C ATOM 1137 NZ LYS A 71 -0.821 19.978 -11.875 1.00 62.51 N ATOM 0 H LYS A 71 1.687 17.203 -8.646 1.00 73.02 H new ATOM 0 HA LYS A 71 4.195 16.355 -9.926 1.00 1.45 H new ATOM 0 HB2 LYS A 71 2.726 18.991 -10.231 1.00 32.25 H new ATOM 0 HB3 LYS A 71 3.916 18.291 -11.310 1.00 32.25 H new ATOM 0 HG2 LYS A 71 2.206 17.488 -12.522 1.00 24.23 H new ATOM 0 HG3 LYS A 71 1.911 16.349 -11.223 1.00 24.23 H new ATOM 0 HD2 LYS A 71 -0.166 17.470 -11.622 1.00 54.20 H new ATOM 0 HD3 LYS A 71 0.455 18.105 -10.111 1.00 54.20 H new ATOM 0 HE2 LYS A 71 1.149 20.154 -11.116 1.00 32.53 H new ATOM 0 HE3 LYS A 71 1.053 19.495 -12.737 1.00 32.53 H new ATOM 0 HZ1 LYS A 71 -0.815 20.941 -12.267 1.00 62.51 H new ATOM 0 HZ2 LYS A 71 -1.360 19.351 -12.506 1.00 62.51 H new ATOM 0 HZ3 LYS A 71 -1.266 19.989 -10.935 1.00 62.51 H new ATOM 1151 N ILE A 72 5.778 17.994 -8.845 1.00 63.02 N ATOM 1152 CA ILE A 72 6.726 18.741 -8.028 1.00 22.22 C ATOM 1153 C ILE A 72 7.374 19.867 -8.827 1.00 32.40 C ATOM 1154 O ILE A 72 7.898 19.645 -9.918 1.00 71.31 O ATOM 1155 CB ILE A 72 7.830 17.825 -7.466 1.00 74.33 C ATOM 1156 CG1 ILE A 72 7.211 16.682 -6.659 1.00 25.45 C ATOM 1157 CG2 ILE A 72 8.796 18.625 -6.607 1.00 4.41 C ATOM 1158 CD1 ILE A 72 6.336 17.152 -5.518 1.00 22.00 C ATOM 0 H ILE A 72 6.199 17.492 -9.627 1.00 63.02 H new ATOM 0 HA ILE A 72 6.160 19.166 -7.199 1.00 22.22 H new ATOM 0 HB ILE A 72 8.386 17.397 -8.300 1.00 74.33 H new ATOM 0 HG12 ILE A 72 6.619 16.056 -7.326 1.00 25.45 H new ATOM 0 HG13 ILE A 72 8.009 16.056 -6.260 1.00 25.45 H new ATOM 0 HG21 ILE A 72 9.570 17.964 -6.217 1.00 4.41 H new ATOM 0 HG22 ILE A 72 9.257 19.407 -7.210 1.00 4.41 H new ATOM 0 HG23 ILE A 72 8.255 19.079 -5.777 1.00 4.41 H new ATOM 0 HD11 ILE A 72 5.931 16.288 -4.990 1.00 22.00 H new ATOM 0 HD12 ILE A 72 6.929 17.753 -4.829 1.00 22.00 H new ATOM 0 HD13 ILE A 72 5.517 17.753 -5.912 1.00 22.00 H new ATOM 1170 N MET A 73 7.335 21.075 -8.275 1.00 31.10 N ATOM 1171 CA MET A 73 7.921 22.236 -8.935 1.00 70.54 C ATOM 1172 C MET A 73 9.289 22.564 -8.345 1.00 74.11 C ATOM 1173 O MET A 73 9.496 22.453 -7.137 1.00 41.22 O ATOM 1174 CB MET A 73 6.993 23.445 -8.806 1.00 41.05 C ATOM 1175 CG MET A 73 5.629 23.235 -9.444 1.00 1.32 C ATOM 1176 SD MET A 73 4.388 24.386 -8.822 1.00 34.51 S ATOM 1177 CE MET A 73 4.246 23.844 -7.121 1.00 31.34 C ATOM 0 H MET A 73 6.904 21.276 -7.373 1.00 31.10 H new ATOM 0 HA MET A 73 8.049 21.997 -9.991 1.00 70.54 H new ATOM 0 HB2 MET A 73 6.859 23.679 -7.750 1.00 41.05 H new ATOM 0 HB3 MET A 73 7.471 24.310 -9.266 1.00 41.05 H new ATOM 0 HG2 MET A 73 5.716 23.349 -10.525 1.00 1.32 H new ATOM 0 HG3 MET A 73 5.298 22.213 -9.257 1.00 1.32 H new ATOM 0 HE1 MET A 73 3.198 23.665 -6.882 1.00 31.34 H new ATOM 0 HE2 MET A 73 4.811 22.922 -6.984 1.00 31.34 H new ATOM 0 HE3 MET A 73 4.643 24.614 -6.459 1.00 31.34 H new ATOM 1187 N MET A 74 10.218 22.968 -9.205 1.00 71.21 N ATOM 1188 CA MET A 74 11.565 23.313 -8.767 1.00 64.02 C ATOM 1189 C MET A 74 12.016 24.633 -9.384 1.00 42.15 C ATOM 1190 O MET A 74 11.925 24.825 -10.597 1.00 10.04 O ATOM 1191 CB MET A 74 12.547 22.200 -9.141 1.00 12.41 C ATOM 1192 CG MET A 74 12.107 20.821 -8.677 1.00 3.23 C ATOM 1193 SD MET A 74 12.789 19.497 -9.693 1.00 34.42 S ATOM 1194 CE MET A 74 13.491 18.432 -8.435 1.00 55.01 C ATOM 0 H MET A 74 10.063 23.064 -10.208 1.00 71.21 H new ATOM 0 HA MET A 74 11.550 23.425 -7.683 1.00 64.02 H new ATOM 0 HB2 MET A 74 12.674 22.187 -10.224 1.00 12.41 H new ATOM 0 HB3 MET A 74 13.522 22.426 -8.709 1.00 12.41 H new ATOM 0 HG2 MET A 74 12.415 20.675 -7.642 1.00 3.23 H new ATOM 0 HG3 MET A 74 11.019 20.765 -8.697 1.00 3.23 H new ATOM 0 HE1 MET A 74 14.028 17.612 -8.911 1.00 55.01 H new ATOM 0 HE2 MET A 74 14.180 19.006 -7.815 1.00 55.01 H new ATOM 0 HE3 MET A 74 12.692 18.029 -7.812 1.00 55.01 H new ATOM 1204 N MET A 75 12.502 25.539 -8.543 1.00 2.43 N ATOM 1205 CA MET A 75 12.968 26.841 -9.007 1.00 52.00 C ATOM 1206 C MET A 75 14.450 27.030 -8.699 1.00 32.10 C ATOM 1207 O MET A 75 14.873 26.922 -7.549 1.00 22.00 O ATOM 1208 CB MET A 75 12.153 27.960 -8.356 1.00 11.12 C ATOM 1209 CG MET A 75 10.683 27.946 -8.743 1.00 30.33 C ATOM 1210 SD MET A 75 10.254 29.267 -9.892 1.00 2.31 S ATOM 1211 CE MET A 75 10.408 30.702 -8.831 1.00 32.14 C ATOM 0 H MET A 75 12.584 25.396 -7.536 1.00 2.43 H new ATOM 0 HA MET A 75 12.832 26.884 -10.088 1.00 52.00 H new ATOM 0 HB2 MET A 75 12.236 27.875 -7.272 1.00 11.12 H new ATOM 0 HB3 MET A 75 12.584 28.922 -8.634 1.00 11.12 H new ATOM 0 HG2 MET A 75 10.439 26.984 -9.194 1.00 30.33 H new ATOM 0 HG3 MET A 75 10.074 28.040 -7.844 1.00 30.33 H new ATOM 0 HE1 MET A 75 9.866 31.539 -9.270 1.00 32.14 H new ATOM 0 HE2 MET A 75 9.992 30.475 -7.850 1.00 32.14 H new ATOM 0 HE3 MET A 75 11.460 30.966 -8.727 1.00 32.14 H new ATOM 1221 N GLY A 76 15.234 27.312 -9.735 1.00 50.30 N ATOM 1222 CA GLY A 76 16.660 27.511 -9.553 1.00 60.05 C ATOM 1223 C GLY A 76 17.455 27.178 -10.800 1.00 41.14 C ATOM 1224 O GLY A 76 16.931 27.231 -11.914 1.00 0.45 O ATOM 0 H GLY A 76 14.907 27.406 -10.697 1.00 50.30 H new ATOM 0 HA2 GLY A 76 16.846 28.548 -9.273 1.00 60.05 H new ATOM 0 HA3 GLY A 76 17.008 26.890 -8.727 1.00 60.05 H new ATOM 1228 N THR A 77 18.726 26.835 -10.616 1.00 22.21 N ATOM 1229 CA THR A 77 19.596 26.495 -11.735 1.00 22.14 C ATOM 1230 C THR A 77 20.381 25.219 -11.453 1.00 3.02 C ATOM 1231 O THR A 77 20.851 25.002 -10.336 1.00 4.22 O ATOM 1232 CB THR A 77 20.585 27.635 -12.044 1.00 31.12 C ATOM 1233 OG1 THR A 77 21.572 27.187 -12.980 1.00 12.02 O ATOM 1234 CG2 THR A 77 21.267 28.119 -10.773 1.00 52.42 C ATOM 0 H THR A 77 19.176 26.785 -9.702 1.00 22.21 H new ATOM 0 HA THR A 77 18.952 26.338 -12.600 1.00 22.14 H new ATOM 0 HB THR A 77 20.025 28.465 -12.476 1.00 31.12 H new ATOM 0 HG1 THR A 77 22.196 27.918 -13.173 1.00 12.02 H new ATOM 0 HG21 THR A 77 21.961 28.924 -11.016 1.00 52.42 H new ATOM 0 HG22 THR A 77 20.516 28.486 -10.074 1.00 52.42 H new ATOM 0 HG23 THR A 77 21.814 27.294 -10.317 1.00 52.42 H new