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 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 36 THR OG1 : rot -173:sc=0.000631 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.504 K(o=-0.5,f=-3.7!) USER MOD Single : A 15 SER OG : rot -83:sc= 0.0757 USER MOD Single : A 17 THR OG1 : rot 54:sc= 0.0039 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 51:sc= 0.705 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -0.526 (180deg=-1.46) USER MOD Single : A 30 GLN : amide:sc= -0.671 X(o=-0.67,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.565 (180deg=-1.48!) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0871 USER MOD Single : A 43 GLN : amide:sc= -4.99! C(o=-5!,f=-9.2!) USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.466) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.5 K(o=-2.5,f=-7.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -168:sc= 0.172 (180deg=0.139) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.024 X(o=-0.024,f=-0.024) USER MOD Single : A 70 THR OG1 : rot 113:sc= -0.0426 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 -166:sc= -2.76 (180deg=-3.49!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 3.910 1.349 -2.596 1.00 31.41 N ATOM 19 CA ALA A 2 4.716 2.541 -2.825 1.00 1.21 C ATOM 20 C ALA A 2 3.877 3.665 -3.424 1.00 33.34 C ATOM 21 O ALA A 2 2.895 3.414 -4.124 1.00 40.53 O ATOM 22 CB ALA A 2 5.892 2.217 -3.734 1.00 23.41 C ATOM 0 HA ALA A 2 5.098 2.881 -1.862 1.00 1.21 H new ATOM 0 HB1 ALA A 2 6.485 3.117 -3.896 1.00 23.41 H new ATOM 0 HB2 ALA A 2 6.513 1.452 -3.267 1.00 23.41 H new ATOM 0 HB3 ALA A 2 5.522 1.849 -4.691 1.00 23.41 H new ATOM 28 N LEU A 3 4.268 4.903 -3.143 1.00 73.11 N ATOM 29 CA LEU A 3 3.550 6.066 -3.654 1.00 24.03 C ATOM 30 C LEU A 3 4.381 6.802 -4.699 1.00 45.54 C ATOM 31 O LEU A 3 5.382 7.450 -4.390 1.00 30.34 O ATOM 32 CB LEU A 3 3.195 7.015 -2.507 1.00 63.54 C ATOM 33 CG LEU A 3 1.706 7.155 -2.189 1.00 63.11 C ATOM 34 CD1 LEU A 3 1.497 8.116 -1.029 1.00 33.30 C ATOM 35 CD2 LEU A 3 0.940 7.624 -3.417 1.00 63.14 C ATOM 0 H LEU A 3 5.078 5.128 -2.565 1.00 73.11 H new ATOM 0 HA LEU A 3 2.632 5.717 -4.126 1.00 24.03 H new ATOM 0 HB2 LEU A 3 3.708 6.674 -1.608 1.00 63.54 H new ATOM 0 HB3 LEU A 3 3.590 8.003 -2.744 1.00 63.54 H new ATOM 0 HG LEU A 3 1.322 6.177 -1.898 1.00 63.11 H new ATOM 0 HD11 LEU A 3 0.432 8.204 -0.816 1.00 33.30 H new ATOM 0 HD12 LEU A 3 2.013 7.739 -0.146 1.00 33.30 H new ATOM 0 HD13 LEU A 3 1.896 9.096 -1.292 1.00 33.30 H new ATOM 0 HD21 LEU A 3 -0.118 7.718 -3.172 1.00 63.14 H new ATOM 0 HD22 LEU A 3 1.325 8.592 -3.739 1.00 63.14 H new ATOM 0 HD23 LEU A 3 1.063 6.899 -4.221 1.00 63.14 H new ATOM 47 N PRO A 4 3.958 6.705 -5.968 1.00 60.33 N ATOM 48 CA PRO A 4 4.647 7.357 -7.085 1.00 43.44 C ATOM 49 C PRO A 4 4.500 8.875 -7.050 1.00 65.21 C ATOM 50 O PRO A 4 3.558 9.403 -6.460 1.00 34.23 O ATOM 51 CB PRO A 4 3.948 6.781 -8.319 1.00 41.11 C ATOM 52 CG PRO A 4 2.594 6.387 -7.838 1.00 3.22 C ATOM 53 CD PRO A 4 2.773 5.950 -6.410 1.00 64.13 C ATOM 0 HA PRO A 4 5.721 7.174 -7.063 1.00 43.44 H new ATOM 0 HB2 PRO A 4 3.885 7.519 -9.119 1.00 41.11 H new ATOM 0 HB3 PRO A 4 4.491 5.924 -8.718 1.00 41.11 H new ATOM 0 HG2 PRO A 4 1.897 7.222 -7.906 1.00 3.22 H new ATOM 0 HG3 PRO A 4 2.184 5.580 -8.445 1.00 3.22 H new ATOM 0 HD2 PRO A 4 1.898 6.186 -5.805 1.00 64.13 H new ATOM 0 HD3 PRO A 4 2.931 4.874 -6.336 1.00 64.13 H new ATOM 61 N ILE A 5 5.438 9.570 -7.686 1.00 14.15 N ATOM 62 CA ILE A 5 5.411 11.027 -7.728 1.00 34.15 C ATOM 63 C ILE A 5 6.059 11.552 -9.004 1.00 2.23 C ATOM 64 O ILE A 5 7.108 11.063 -9.426 1.00 14.24 O ATOM 65 CB ILE A 5 6.129 11.639 -6.510 1.00 62.45 C ATOM 66 CG1 ILE A 5 5.479 11.157 -5.212 1.00 24.13 C ATOM 67 CG2 ILE A 5 6.105 13.158 -6.590 1.00 21.35 C ATOM 68 CD1 ILE A 5 6.055 11.804 -3.972 1.00 23.13 C ATOM 0 H ILE A 5 6.225 9.148 -8.179 1.00 14.15 H new ATOM 0 HA ILE A 5 4.362 11.324 -7.708 1.00 34.15 H new ATOM 0 HB ILE A 5 7.168 11.311 -6.516 1.00 62.45 H new ATOM 0 HG12 ILE A 5 4.409 11.359 -5.254 1.00 24.13 H new ATOM 0 HG13 ILE A 5 5.596 10.076 -5.136 1.00 24.13 H new ATOM 0 HG21 ILE A 5 6.616 13.576 -5.723 1.00 21.35 H new ATOM 0 HG22 ILE A 5 6.610 13.482 -7.500 1.00 21.35 H new ATOM 0 HG23 ILE A 5 5.072 13.505 -6.605 1.00 21.35 H new ATOM 0 HD11 ILE A 5 5.547 11.415 -3.089 1.00 23.13 H new ATOM 0 HD12 ILE A 5 7.120 11.580 -3.906 1.00 23.13 H new ATOM 0 HD13 ILE A 5 5.914 12.883 -4.026 1.00 23.13 H new ATOM 80 N ILE A 6 5.430 12.551 -9.613 1.00 12.43 N ATOM 81 CA ILE A 6 5.947 13.145 -10.839 1.00 44.21 C ATOM 82 C ILE A 6 6.789 14.381 -10.539 1.00 71.00 C ATOM 83 O ILE A 6 6.452 15.177 -9.662 1.00 71.05 O ATOM 84 CB ILE A 6 4.809 13.534 -11.800 1.00 52.24 C ATOM 85 CG1 ILE A 6 4.248 12.290 -12.492 1.00 23.20 C ATOM 86 CG2 ILE A 6 5.304 14.540 -12.828 1.00 41.44 C ATOM 87 CD1 ILE A 6 2.739 12.279 -12.585 1.00 75.33 C ATOM 0 H ILE A 6 4.561 12.966 -9.277 1.00 12.43 H new ATOM 0 HA ILE A 6 6.572 12.390 -11.316 1.00 44.21 H new ATOM 0 HB ILE A 6 4.009 13.997 -11.223 1.00 52.24 H new ATOM 0 HG12 ILE A 6 4.666 12.223 -13.496 1.00 23.20 H new ATOM 0 HG13 ILE A 6 4.577 11.403 -11.950 1.00 23.20 H new ATOM 0 HG21 ILE A 6 4.488 14.805 -13.500 1.00 41.44 H new ATOM 0 HG22 ILE A 6 5.660 15.436 -12.319 1.00 41.44 H new ATOM 0 HG23 ILE A 6 6.120 14.101 -13.403 1.00 41.44 H new ATOM 0 HD11 ILE A 6 2.412 11.368 -13.087 1.00 75.33 H new ATOM 0 HD12 ILE A 6 2.312 12.314 -11.583 1.00 75.33 H new ATOM 0 HD13 ILE A 6 2.403 13.147 -13.153 1.00 75.33 H new ATOM 99 N VAL A 7 7.885 14.536 -11.274 1.00 45.41 N ATOM 100 CA VAL A 7 8.774 15.677 -11.089 1.00 45.13 C ATOM 101 C VAL A 7 9.026 16.398 -12.409 1.00 74.31 C ATOM 102 O VAL A 7 9.493 15.798 -13.378 1.00 13.22 O ATOM 103 CB VAL A 7 10.125 15.245 -10.488 1.00 60.52 C ATOM 104 CG1 VAL A 7 10.818 14.241 -11.398 1.00 13.32 C ATOM 105 CG2 VAL A 7 11.012 16.456 -10.244 1.00 53.32 C ATOM 0 H VAL A 7 8.179 13.886 -12.003 1.00 45.41 H new ATOM 0 HA VAL A 7 8.276 16.356 -10.396 1.00 45.13 H new ATOM 0 HB VAL A 7 9.938 14.762 -9.529 1.00 60.52 H new ATOM 0 HG11 VAL A 7 11.771 13.947 -10.957 1.00 13.32 H new ATOM 0 HG12 VAL A 7 10.186 13.361 -11.516 1.00 13.32 H new ATOM 0 HG13 VAL A 7 10.994 14.695 -12.373 1.00 13.32 H new ATOM 0 HG21 VAL A 7 11.962 16.132 -9.819 1.00 53.32 H new ATOM 0 HG22 VAL A 7 11.193 16.970 -11.188 1.00 53.32 H new ATOM 0 HG23 VAL A 7 10.517 17.135 -9.550 1.00 53.32 H new ATOM 115 N LYS A 8 8.713 17.689 -12.441 1.00 32.32 N ATOM 116 CA LYS A 8 8.906 18.494 -13.641 1.00 34.11 C ATOM 117 C LYS A 8 10.083 19.449 -13.472 1.00 12.11 C ATOM 118 O LYS A 8 10.074 20.309 -12.591 1.00 45.33 O ATOM 119 CB LYS A 8 7.635 19.285 -13.959 1.00 12.02 C ATOM 120 CG LYS A 8 7.232 20.256 -12.862 1.00 62.40 C ATOM 121 CD LYS A 8 5.726 20.451 -12.815 1.00 61.13 C ATOM 122 CE LYS A 8 5.233 21.265 -14.001 1.00 54.24 C ATOM 123 NZ LYS A 8 3.784 21.590 -13.887 1.00 73.10 N ATOM 0 H LYS A 8 8.324 18.200 -11.649 1.00 32.32 H new ATOM 0 HA LYS A 8 9.124 17.820 -14.469 1.00 34.11 H new ATOM 0 HB2 LYS A 8 7.784 19.839 -14.886 1.00 12.02 H new ATOM 0 HB3 LYS A 8 6.816 18.587 -14.133 1.00 12.02 H new ATOM 0 HG2 LYS A 8 7.582 19.884 -11.899 1.00 62.40 H new ATOM 0 HG3 LYS A 8 7.719 21.217 -13.028 1.00 62.40 H new ATOM 0 HD2 LYS A 8 5.232 19.479 -12.809 1.00 61.13 H new ATOM 0 HD3 LYS A 8 5.452 20.954 -11.888 1.00 61.13 H new ATOM 0 HE2 LYS A 8 5.808 22.188 -14.072 1.00 54.24 H new ATOM 0 HE3 LYS A 8 5.409 20.709 -14.922 1.00 54.24 H new ATOM 0 HZ1 LYS A 8 3.487 22.145 -14.714 1.00 73.10 H new ATOM 0 HZ2 LYS A 8 3.233 20.709 -13.845 1.00 73.10 H new ATOM 0 HZ3 LYS A 8 3.619 22.143 -13.022 1.00 73.10 H new ATOM 137 N TRP A 9 11.092 19.293 -14.321 1.00 72.11 N ATOM 138 CA TRP A 9 12.276 20.143 -14.266 1.00 14.21 C ATOM 139 C TRP A 9 12.480 20.877 -15.586 1.00 45.44 C ATOM 140 O TRP A 9 12.972 20.303 -16.557 1.00 71.00 O ATOM 141 CB TRP A 9 13.514 19.308 -13.935 1.00 14.21 C ATOM 142 CG TRP A 9 14.799 19.967 -14.336 1.00 72.43 C ATOM 143 CD1 TRP A 9 15.752 19.461 -15.174 1.00 10.24 C ATOM 144 CD2 TRP A 9 15.272 21.251 -13.915 1.00 73.34 C ATOM 145 NE1 TRP A 9 16.789 20.354 -15.299 1.00 20.13 N ATOM 146 CE2 TRP A 9 16.518 21.460 -14.537 1.00 62.05 C ATOM 147 CE3 TRP A 9 14.763 22.245 -13.076 1.00 31.04 C ATOM 148 CZ2 TRP A 9 17.261 22.622 -14.344 1.00 33.34 C ATOM 149 CZ3 TRP A 9 15.501 23.397 -12.884 1.00 3.20 C ATOM 150 CH2 TRP A 9 16.739 23.578 -13.516 1.00 54.41 C ATOM 0 H TRP A 9 11.114 18.586 -15.056 1.00 72.11 H new ATOM 0 HA TRP A 9 12.126 20.883 -13.480 1.00 14.21 H new ATOM 0 HB2 TRP A 9 13.534 19.110 -12.863 1.00 14.21 H new ATOM 0 HB3 TRP A 9 13.437 18.343 -14.436 1.00 14.21 H new ATOM 0 HD1 TRP A 9 15.698 18.501 -15.666 1.00 10.24 H new ATOM 0 HE1 TRP A 9 17.625 20.216 -15.867 1.00 20.13 H new ATOM 0 HE3 TRP A 9 13.809 22.115 -12.586 1.00 31.04 H new ATOM 0 HZ2 TRP A 9 18.215 22.763 -14.830 1.00 33.34 H new ATOM 0 HZ3 TRP A 9 15.118 24.171 -12.236 1.00 3.20 H new ATOM 0 HH2 TRP A 9 17.292 24.490 -13.346 1.00 54.41 H new ATOM 161 N GLY A 10 12.101 22.151 -15.616 1.00 14.32 N ATOM 162 CA GLY A 10 12.251 22.943 -16.823 1.00 23.41 C ATOM 163 C GLY A 10 10.978 22.997 -17.644 1.00 31.55 C ATOM 164 O GLY A 10 10.206 23.949 -17.542 1.00 72.14 O ATOM 0 H GLY A 10 11.692 22.649 -14.825 1.00 14.32 H new ATOM 0 HA2 GLY A 10 12.549 23.956 -16.554 1.00 23.41 H new ATOM 0 HA3 GLY A 10 13.054 22.525 -17.430 1.00 23.41 H new ATOM 168 N GLY A 11 10.758 21.971 -18.461 1.00 45.10 N ATOM 169 CA GLY A 11 9.570 21.926 -19.292 1.00 54.21 C ATOM 170 C GLY A 11 9.134 20.508 -19.604 1.00 52.45 C ATOM 171 O GLY A 11 8.407 20.275 -20.570 1.00 20.23 O ATOM 0 H GLY A 11 11.382 21.170 -18.562 1.00 45.10 H new ATOM 0 HA2 GLY A 11 8.758 22.450 -18.788 1.00 54.21 H new ATOM 0 HA3 GLY A 11 9.762 22.457 -20.224 1.00 54.21 H new ATOM 175 N GLN A 12 9.580 19.560 -18.787 1.00 41.11 N ATOM 176 CA GLN A 12 9.233 18.158 -18.983 1.00 61.55 C ATOM 177 C GLN A 12 8.699 17.543 -17.694 1.00 2.13 C ATOM 178 O GLN A 12 8.678 18.193 -16.649 1.00 31.42 O ATOM 179 CB GLN A 12 10.452 17.372 -19.470 1.00 40.02 C ATOM 180 CG GLN A 12 10.679 17.469 -20.970 1.00 42.31 C ATOM 181 CD GLN A 12 9.652 16.691 -21.768 1.00 33.32 C ATOM 182 OE1 GLN A 12 8.592 16.331 -21.254 1.00 0.53 O ATOM 183 NE2 GLN A 12 9.960 16.426 -23.032 1.00 21.52 N ATOM 0 H GLN A 12 10.182 19.737 -17.983 1.00 41.11 H new ATOM 0 HA GLN A 12 8.450 18.107 -19.740 1.00 61.55 H new ATOM 0 HB2 GLN A 12 11.339 17.736 -18.952 1.00 40.02 H new ATOM 0 HB3 GLN A 12 10.331 16.324 -19.196 1.00 40.02 H new ATOM 0 HG2 GLN A 12 10.650 18.516 -21.271 1.00 42.31 H new ATOM 0 HG3 GLN A 12 11.676 17.097 -21.207 1.00 42.31 H new ATOM 0 HE21 GLN A 12 10.849 16.743 -23.417 1.00 21.52 H new ATOM 0 HE22 GLN A 12 9.307 15.905 -23.618 1.00 21.52 H new ATOM 192 N GLU A 13 8.269 16.288 -17.776 1.00 31.13 N ATOM 193 CA GLU A 13 7.734 15.587 -16.614 1.00 51.22 C ATOM 194 C GLU A 13 8.343 14.193 -16.491 1.00 41.45 C ATOM 195 O GLU A 13 8.550 13.504 -17.491 1.00 14.24 O ATOM 196 CB GLU A 13 6.210 15.483 -16.711 1.00 4.13 C ATOM 197 CG GLU A 13 5.503 16.826 -16.636 1.00 73.42 C ATOM 198 CD GLU A 13 3.997 16.699 -16.758 1.00 34.31 C ATOM 199 OE1 GLU A 13 3.387 16.017 -15.907 1.00 44.04 O ATOM 200 OE2 GLU A 13 3.427 17.282 -17.704 1.00 63.23 O ATOM 0 H GLU A 13 8.280 15.736 -18.634 1.00 31.13 H new ATOM 0 HA GLU A 13 7.997 16.159 -15.724 1.00 51.22 H new ATOM 0 HB2 GLU A 13 5.946 14.995 -17.649 1.00 4.13 H new ATOM 0 HB3 GLU A 13 5.846 14.844 -15.906 1.00 4.13 H new ATOM 0 HG2 GLU A 13 5.748 17.309 -15.690 1.00 73.42 H new ATOM 0 HG3 GLU A 13 5.875 17.473 -17.430 1.00 73.42 H new ATOM 207 N TYR A 14 8.629 13.786 -15.260 1.00 31.20 N ATOM 208 CA TYR A 14 9.217 12.476 -15.006 1.00 3.13 C ATOM 209 C TYR A 14 8.546 11.799 -13.814 1.00 42.43 C ATOM 210 O TYR A 14 8.593 12.304 -12.692 1.00 73.34 O ATOM 211 CB TYR A 14 10.720 12.609 -14.751 1.00 54.40 C ATOM 212 CG TYR A 14 11.479 13.214 -15.910 1.00 60.24 C ATOM 213 CD1 TYR A 14 11.449 14.583 -16.147 1.00 64.34 C ATOM 214 CD2 TYR A 14 12.225 12.416 -16.769 1.00 41.43 C ATOM 215 CE1 TYR A 14 12.141 15.140 -17.206 1.00 21.52 C ATOM 216 CE2 TYR A 14 12.921 12.965 -17.829 1.00 61.31 C ATOM 217 CZ TYR A 14 12.876 14.326 -18.043 1.00 52.54 C ATOM 218 OH TYR A 14 13.566 14.876 -19.099 1.00 45.30 O ATOM 0 H TYR A 14 8.463 14.344 -14.422 1.00 31.20 H new ATOM 0 HA TYR A 14 9.058 11.857 -15.889 1.00 3.13 H new ATOM 0 HB2 TYR A 14 10.877 13.224 -13.864 1.00 54.40 H new ATOM 0 HB3 TYR A 14 11.132 11.624 -14.533 1.00 54.40 H new ATOM 0 HD1 TYR A 14 10.875 15.223 -15.493 1.00 64.34 H new ATOM 0 HD2 TYR A 14 12.261 11.349 -16.605 1.00 41.43 H new ATOM 0 HE1 TYR A 14 12.107 16.206 -17.377 1.00 21.52 H new ATOM 0 HE2 TYR A 14 13.497 12.331 -18.486 1.00 61.31 H new ATOM 0 HH TYR A 14 14.033 14.167 -19.589 1.00 45.30 H new ATOM 228 N SER A 15 7.923 10.653 -14.067 1.00 54.23 N ATOM 229 CA SER A 15 7.239 9.907 -13.017 1.00 54.25 C ATOM 230 C SER A 15 8.223 9.041 -12.237 1.00 73.34 C ATOM 231 O SER A 15 9.058 8.351 -12.821 1.00 63.44 O ATOM 232 CB SER A 15 6.137 9.032 -13.619 1.00 40.51 C ATOM 233 OG SER A 15 6.443 8.674 -14.955 1.00 62.04 O ATOM 0 H SER A 15 7.878 10.221 -14.990 1.00 54.23 H new ATOM 0 HA SER A 15 6.789 10.624 -12.330 1.00 54.25 H new ATOM 0 HB2 SER A 15 6.014 8.132 -13.017 1.00 40.51 H new ATOM 0 HB3 SER A 15 5.188 9.567 -13.591 1.00 40.51 H new ATOM 0 HG SER A 15 6.176 9.399 -15.557 1.00 62.04 H new ATOM 239 N VAL A 16 8.117 9.082 -10.913 1.00 1.20 N ATOM 240 CA VAL A 16 8.996 8.301 -10.051 1.00 60.22 C ATOM 241 C VAL A 16 8.341 6.985 -9.646 1.00 13.32 C ATOM 242 O VAL A 16 7.221 6.968 -9.134 1.00 74.11 O ATOM 243 CB VAL A 16 9.378 9.084 -8.781 1.00 41.12 C ATOM 244 CG1 VAL A 16 10.247 8.232 -7.869 1.00 31.40 C ATOM 245 CG2 VAL A 16 10.086 10.380 -9.148 1.00 23.44 C ATOM 0 H VAL A 16 7.431 9.648 -10.414 1.00 1.20 H new ATOM 0 HA VAL A 16 9.899 8.093 -10.625 1.00 60.22 H new ATOM 0 HB VAL A 16 8.465 9.335 -8.241 1.00 41.12 H new ATOM 0 HG11 VAL A 16 10.507 8.802 -6.977 1.00 31.40 H new ATOM 0 HG12 VAL A 16 9.700 7.335 -7.580 1.00 31.40 H new ATOM 0 HG13 VAL A 16 11.158 7.948 -8.396 1.00 31.40 H new ATOM 0 HG21 VAL A 16 10.349 10.921 -8.239 1.00 23.44 H new ATOM 0 HG22 VAL A 16 10.992 10.153 -9.710 1.00 23.44 H new ATOM 0 HG23 VAL A 16 9.425 10.996 -9.758 1.00 23.44 H new ATOM 255 N THR A 17 9.047 5.883 -9.877 1.00 74.33 N ATOM 256 CA THR A 17 8.534 4.562 -9.537 1.00 71.41 C ATOM 257 C THR A 17 9.607 3.712 -8.866 1.00 72.41 C ATOM 258 O THR A 17 10.379 3.025 -9.536 1.00 22.23 O ATOM 259 CB THR A 17 8.015 3.822 -10.785 1.00 10.04 C ATOM 260 OG1 THR A 17 8.868 4.090 -11.903 1.00 52.23 O ATOM 261 CG2 THR A 17 6.591 4.247 -11.112 1.00 65.24 C ATOM 0 H THR A 17 9.976 5.879 -10.298 1.00 74.33 H new ATOM 0 HA THR A 17 7.707 4.713 -8.843 1.00 71.41 H new ATOM 0 HB THR A 17 8.019 2.752 -10.575 1.00 10.04 H new ATOM 0 HG1 THR A 17 9.794 3.870 -11.668 1.00 52.23 H new ATOM 0 HG21 THR A 17 6.246 3.712 -11.997 1.00 65.24 H new ATOM 0 HG22 THR A 17 5.939 4.015 -10.270 1.00 65.24 H new ATOM 0 HG23 THR A 17 6.567 5.320 -11.304 1.00 65.24 H new ATOM 269 N THR A 18 9.650 3.761 -7.538 1.00 72.12 N ATOM 270 CA THR A 18 10.629 2.996 -6.776 1.00 75.32 C ATOM 271 C THR A 18 10.551 3.329 -5.291 1.00 23.13 C ATOM 272 O THR A 18 10.848 2.489 -4.439 1.00 53.44 O ATOM 273 CB THR A 18 12.061 3.260 -7.276 1.00 42.33 C ATOM 274 OG1 THR A 18 13.011 2.769 -6.324 1.00 0.11 O ATOM 275 CG2 THR A 18 12.288 4.747 -7.506 1.00 63.21 C ATOM 0 H THR A 18 9.018 4.323 -6.968 1.00 72.12 H new ATOM 0 HA THR A 18 10.390 1.943 -6.922 1.00 75.32 H new ATOM 0 HB THR A 18 12.194 2.737 -8.223 1.00 42.33 H new ATOM 0 HG1 THR A 18 13.919 2.939 -6.650 1.00 0.11 H new ATOM 0 HG21 THR A 18 13.306 4.909 -7.859 1.00 63.21 H new ATOM 0 HG22 THR A 18 11.583 5.111 -8.253 1.00 63.21 H new ATOM 0 HG23 THR A 18 12.138 5.287 -6.571 1.00 63.21 H new ATOM 283 N LEU A 19 10.151 4.558 -4.985 1.00 51.10 N ATOM 284 CA LEU A 19 10.034 5.002 -3.600 1.00 54.45 C ATOM 285 C LEU A 19 8.697 4.576 -3.003 1.00 74.30 C ATOM 286 O LEU A 19 7.696 4.465 -3.711 1.00 70.13 O ATOM 287 CB LEU A 19 10.180 6.523 -3.518 1.00 21.20 C ATOM 288 CG LEU A 19 11.523 7.041 -3.001 1.00 73.21 C ATOM 289 CD1 LEU A 19 11.720 6.651 -1.544 1.00 41.04 C ATOM 290 CD2 LEU A 19 12.664 6.510 -3.856 1.00 41.34 C ATOM 0 H LEU A 19 9.902 5.265 -5.677 1.00 51.10 H new ATOM 0 HA LEU A 19 10.833 4.534 -3.025 1.00 54.45 H new ATOM 0 HB2 LEU A 19 10.011 6.938 -4.512 1.00 21.20 H new ATOM 0 HB3 LEU A 19 9.391 6.910 -2.873 1.00 21.20 H new ATOM 0 HG LEU A 19 11.521 8.129 -3.068 1.00 73.21 H new ATOM 0 HD11 LEU A 19 12.681 7.028 -1.193 1.00 41.04 H new ATOM 0 HD12 LEU A 19 10.920 7.080 -0.941 1.00 41.04 H new ATOM 0 HD13 LEU A 19 11.701 5.565 -1.452 1.00 41.04 H new ATOM 0 HD21 LEU A 19 13.612 6.889 -3.474 1.00 41.34 H new ATOM 0 HD22 LEU A 19 12.668 5.421 -3.821 1.00 41.34 H new ATOM 0 HD23 LEU A 19 12.531 6.840 -4.886 1.00 41.34 H new ATOM 302 N SER A 20 8.687 4.340 -1.695 1.00 22.40 N ATOM 303 CA SER A 20 7.473 3.924 -1.002 1.00 65.30 C ATOM 304 C SER A 20 7.251 4.761 0.254 1.00 72.12 C ATOM 305 O SER A 20 8.138 5.494 0.689 1.00 64.13 O ATOM 306 CB SER A 20 7.554 2.441 -0.633 1.00 3.23 C ATOM 307 OG SER A 20 8.877 1.952 -0.772 1.00 41.32 O ATOM 0 H SER A 20 9.506 4.430 -1.094 1.00 22.40 H new ATOM 0 HA SER A 20 6.629 4.078 -1.674 1.00 65.30 H new ATOM 0 HB2 SER A 20 7.217 2.300 0.394 1.00 3.23 H new ATOM 0 HB3 SER A 20 6.882 1.867 -1.271 1.00 3.23 H new ATOM 0 HG SER A 20 9.496 2.542 -0.293 1.00 41.32 H new ATOM 313 N GLU A 21 6.059 4.645 0.831 1.00 52.41 N ATOM 314 CA GLU A 21 5.719 5.392 2.036 1.00 11.33 C ATOM 315 C GLU A 21 6.678 5.055 3.174 1.00 31.42 C ATOM 316 O GLU A 21 6.834 5.828 4.119 1.00 12.31 O ATOM 317 CB GLU A 21 4.280 5.091 2.461 1.00 61.11 C ATOM 318 CG GLU A 21 3.282 5.152 1.317 1.00 42.13 C ATOM 319 CD GLU A 21 1.844 5.136 1.796 1.00 54.42 C ATOM 320 OE1 GLU A 21 1.605 4.695 2.939 1.00 13.25 O ATOM 321 OE2 GLU A 21 0.957 5.565 1.028 1.00 62.43 O ATOM 0 H GLU A 21 5.314 4.042 0.484 1.00 52.41 H new ATOM 0 HA GLU A 21 5.809 6.455 1.811 1.00 11.33 H new ATOM 0 HB2 GLU A 21 4.243 4.099 2.912 1.00 61.11 H new ATOM 0 HB3 GLU A 21 3.981 5.802 3.231 1.00 61.11 H new ATOM 0 HG2 GLU A 21 3.457 6.057 0.735 1.00 42.13 H new ATOM 0 HG3 GLU A 21 3.448 4.306 0.649 1.00 42.13 H new ATOM 328 N ASP A 22 7.317 3.894 3.076 1.00 4.42 N ATOM 329 CA ASP A 22 8.262 3.453 4.096 1.00 12.42 C ATOM 330 C ASP A 22 9.520 4.316 4.081 1.00 12.14 C ATOM 331 O ASP A 22 10.351 4.235 4.986 1.00 71.30 O ATOM 332 CB ASP A 22 8.632 1.986 3.878 1.00 63.41 C ATOM 333 CG ASP A 22 8.858 1.245 5.182 1.00 52.44 C ATOM 334 OD1 ASP A 22 9.627 1.751 6.025 1.00 11.12 O ATOM 335 OD2 ASP A 22 8.266 0.160 5.358 1.00 33.20 O ATOM 0 H ASP A 22 7.198 3.242 2.301 1.00 4.42 H new ATOM 0 HA ASP A 22 7.783 3.558 5.070 1.00 12.42 H new ATOM 0 HB2 ASP A 22 7.838 1.494 3.317 1.00 63.41 H new ATOM 0 HB3 ASP A 22 9.535 1.929 3.270 1.00 63.41 H new ATOM 340 N ASP A 23 9.653 5.141 3.049 1.00 61.24 N ATOM 341 CA ASP A 23 10.810 6.019 2.916 1.00 71.13 C ATOM 342 C ASP A 23 10.465 7.441 3.347 1.00 21.25 C ATOM 343 O ASP A 23 9.610 7.650 4.208 1.00 12.34 O ATOM 344 CB ASP A 23 11.314 6.019 1.472 1.00 55.15 C ATOM 345 CG ASP A 23 11.371 4.625 0.878 1.00 13.21 C ATOM 346 OD1 ASP A 23 10.296 4.057 0.594 1.00 74.55 O ATOM 347 OD2 ASP A 23 12.490 4.103 0.697 1.00 5.24 O ATOM 0 H ASP A 23 8.974 5.221 2.292 1.00 61.24 H new ATOM 0 HA ASP A 23 11.598 5.642 3.568 1.00 71.13 H new ATOM 0 HB2 ASP A 23 10.661 6.644 0.863 1.00 55.15 H new ATOM 0 HB3 ASP A 23 12.307 6.466 1.437 1.00 55.15 H new ATOM 352 N THR A 24 11.138 8.417 2.745 1.00 75.55 N ATOM 353 CA THR A 24 10.904 9.818 3.068 1.00 45.42 C ATOM 354 C THR A 24 10.857 10.673 1.806 1.00 34.14 C ATOM 355 O THR A 24 11.220 10.218 0.722 1.00 75.42 O ATOM 356 CB THR A 24 11.996 10.368 4.005 1.00 23.33 C ATOM 357 OG1 THR A 24 13.149 9.519 3.966 1.00 75.51 O ATOM 358 CG2 THR A 24 11.483 10.468 5.434 1.00 53.23 C ATOM 0 H THR A 24 11.850 8.262 2.031 1.00 75.55 H new ATOM 0 HA THR A 24 9.940 9.869 3.575 1.00 45.42 H new ATOM 0 HB THR A 24 12.268 11.366 3.662 1.00 23.33 H new ATOM 0 HG1 THR A 24 13.839 9.877 4.563 1.00 75.51 H new ATOM 0 HG21 THR A 24 12.272 10.859 6.077 1.00 53.23 H new ATOM 0 HG22 THR A 24 10.624 11.138 5.466 1.00 53.23 H new ATOM 0 HG23 THR A 24 11.186 9.479 5.784 1.00 53.23 H new ATOM 366 N VAL A 25 10.407 11.915 1.955 1.00 1.03 N ATOM 367 CA VAL A 25 10.314 12.835 0.828 1.00 73.53 C ATOM 368 C VAL A 25 11.688 13.113 0.230 1.00 63.30 C ATOM 369 O VAL A 25 11.861 13.101 -0.990 1.00 2.05 O ATOM 370 CB VAL A 25 9.667 14.169 1.244 1.00 44.21 C ATOM 371 CG1 VAL A 25 9.480 15.072 0.034 1.00 11.12 C ATOM 372 CG2 VAL A 25 8.341 13.922 1.946 1.00 54.21 C ATOM 0 H VAL A 25 10.101 12.307 2.846 1.00 1.03 H new ATOM 0 HA VAL A 25 9.686 12.354 0.078 1.00 73.53 H new ATOM 0 HB VAL A 25 10.333 14.673 1.944 1.00 44.21 H new ATOM 0 HG11 VAL A 25 9.022 16.010 0.347 1.00 11.12 H new ATOM 0 HG12 VAL A 25 10.449 15.276 -0.421 1.00 11.12 H new ATOM 0 HG13 VAL A 25 8.835 14.578 -0.693 1.00 11.12 H new ATOM 0 HG21 VAL A 25 7.898 14.876 2.233 1.00 54.21 H new ATOM 0 HG22 VAL A 25 7.665 13.396 1.272 1.00 54.21 H new ATOM 0 HG23 VAL A 25 8.508 13.317 2.837 1.00 54.21 H new ATOM 382 N LEU A 26 12.664 13.362 1.096 1.00 2.20 N ATOM 383 CA LEU A 26 14.026 13.643 0.654 1.00 11.12 C ATOM 384 C LEU A 26 14.600 12.464 -0.124 1.00 71.33 C ATOM 385 O LEU A 26 15.450 12.638 -0.997 1.00 45.21 O ATOM 386 CB LEU A 26 14.918 13.958 1.856 1.00 1.40 C ATOM 387 CG LEU A 26 15.768 12.801 2.383 1.00 50.51 C ATOM 388 CD1 LEU A 26 17.100 12.742 1.652 1.00 61.53 C ATOM 389 CD2 LEU A 26 15.986 12.940 3.882 1.00 24.15 C ATOM 0 H LEU A 26 12.538 13.375 2.108 1.00 2.20 H new ATOM 0 HA LEU A 26 13.996 14.510 -0.006 1.00 11.12 H new ATOM 0 HB2 LEU A 26 15.584 14.777 1.584 1.00 1.40 H new ATOM 0 HB3 LEU A 26 14.286 14.317 2.668 1.00 1.40 H new ATOM 0 HG LEU A 26 15.234 11.869 2.199 1.00 50.51 H new ATOM 0 HD11 LEU A 26 17.692 11.913 2.040 1.00 61.53 H new ATOM 0 HD12 LEU A 26 16.924 12.595 0.586 1.00 61.53 H new ATOM 0 HD13 LEU A 26 17.641 13.676 1.805 1.00 61.53 H new ATOM 0 HD21 LEU A 26 16.593 12.108 4.240 1.00 24.15 H new ATOM 0 HD22 LEU A 26 16.499 13.879 4.090 1.00 24.15 H new ATOM 0 HD23 LEU A 26 15.023 12.932 4.392 1.00 24.15 H new ATOM 401 N ASP A 27 14.128 11.264 0.196 1.00 12.10 N ATOM 402 CA ASP A 27 14.591 10.056 -0.476 1.00 25.54 C ATOM 403 C ASP A 27 14.073 9.997 -1.909 1.00 13.30 C ATOM 404 O ASP A 27 14.748 9.489 -2.805 1.00 21.32 O ATOM 405 CB ASP A 27 14.140 8.813 0.294 1.00 11.53 C ATOM 406 CG ASP A 27 15.252 7.796 0.456 1.00 43.15 C ATOM 407 OD1 ASP A 27 16.417 8.213 0.623 1.00 22.03 O ATOM 408 OD2 ASP A 27 14.958 6.583 0.413 1.00 21.11 O ATOM 0 H ASP A 27 13.425 11.102 0.917 1.00 12.10 H new ATOM 0 HA ASP A 27 15.680 10.082 -0.504 1.00 25.54 H new ATOM 0 HB2 ASP A 27 13.778 9.111 1.278 1.00 11.53 H new ATOM 0 HB3 ASP A 27 13.302 8.351 -0.228 1.00 11.53 H new ATOM 413 N LEU A 28 12.870 10.520 -2.119 1.00 13.01 N ATOM 414 CA LEU A 28 12.259 10.527 -3.444 1.00 20.13 C ATOM 415 C LEU A 28 12.803 11.675 -4.288 1.00 13.00 C ATOM 416 O LEU A 28 13.205 11.480 -5.435 1.00 41.42 O ATOM 417 CB LEU A 28 10.738 10.642 -3.325 1.00 62.43 C ATOM 418 CG LEU A 28 9.929 10.072 -4.491 1.00 64.31 C ATOM 419 CD1 LEU A 28 8.718 9.309 -3.978 1.00 13.32 C ATOM 420 CD2 LEU A 28 9.501 11.184 -5.437 1.00 14.01 C ATOM 0 H LEU A 28 12.298 10.945 -1.389 1.00 13.01 H new ATOM 0 HA LEU A 28 12.509 9.588 -3.938 1.00 20.13 H new ATOM 0 HB2 LEU A 28 10.426 10.137 -2.411 1.00 62.43 H new ATOM 0 HB3 LEU A 28 10.481 11.695 -3.211 1.00 62.43 H new ATOM 0 HG LEU A 28 10.562 9.377 -5.043 1.00 64.31 H new ATOM 0 HD11 LEU A 28 8.155 8.911 -4.822 1.00 13.32 H new ATOM 0 HD12 LEU A 28 9.048 8.488 -3.342 1.00 13.32 H new ATOM 0 HD13 LEU A 28 8.082 9.981 -3.402 1.00 13.32 H new ATOM 0 HD21 LEU A 28 8.927 10.760 -6.261 1.00 14.01 H new ATOM 0 HD22 LEU A 28 8.885 11.904 -4.898 1.00 14.01 H new ATOM 0 HD23 LEU A 28 10.384 11.686 -5.832 1.00 14.01 H new ATOM 432 N LYS A 29 12.814 12.872 -3.712 1.00 51.40 N ATOM 433 CA LYS A 29 13.311 14.053 -4.409 1.00 25.51 C ATOM 434 C LYS A 29 14.783 13.888 -4.776 1.00 32.31 C ATOM 435 O LYS A 29 15.155 13.989 -5.945 1.00 33.34 O ATOM 436 CB LYS A 29 13.128 15.299 -3.540 1.00 22.44 C ATOM 437 CG LYS A 29 11.835 16.047 -3.814 1.00 44.24 C ATOM 438 CD LYS A 29 10.703 15.546 -2.934 1.00 72.34 C ATOM 439 CE LYS A 29 9.865 14.497 -3.649 1.00 34.44 C ATOM 440 NZ LYS A 29 8.460 14.950 -3.848 1.00 21.14 N ATOM 0 H LYS A 29 12.484 13.050 -2.763 1.00 51.40 H new ATOM 0 HA LYS A 29 12.736 14.171 -5.327 1.00 25.51 H new ATOM 0 HB2 LYS A 29 13.153 15.006 -2.490 1.00 22.44 H new ATOM 0 HB3 LYS A 29 13.969 15.973 -3.704 1.00 22.44 H new ATOM 0 HG2 LYS A 29 11.987 17.113 -3.642 1.00 44.24 H new ATOM 0 HG3 LYS A 29 11.561 15.930 -4.862 1.00 44.24 H new ATOM 0 HD2 LYS A 29 11.113 15.123 -2.017 1.00 72.34 H new ATOM 0 HD3 LYS A 29 10.069 16.383 -2.643 1.00 72.34 H new ATOM 0 HE2 LYS A 29 10.314 14.271 -4.616 1.00 34.44 H new ATOM 0 HE3 LYS A 29 9.870 13.573 -3.071 1.00 34.44 H new ATOM 0 HZ1 LYS A 29 8.063 14.490 -4.692 1.00 21.14 H new ATOM 0 HZ2 LYS A 29 7.892 14.695 -3.015 1.00 21.14 H new ATOM 0 HZ3 LYS A 29 8.443 15.982 -3.976 1.00 21.14 H new ATOM 454 N GLN A 30 15.614 13.632 -3.770 1.00 52.55 N ATOM 455 CA GLN A 30 17.044 13.453 -3.989 1.00 62.01 C ATOM 456 C GLN A 30 17.307 12.310 -4.964 1.00 54.34 C ATOM 457 O GLN A 30 18.365 12.245 -5.590 1.00 20.00 O ATOM 458 CB GLN A 30 17.754 13.180 -2.662 1.00 20.30 C ATOM 459 CG GLN A 30 17.795 11.707 -2.286 1.00 43.30 C ATOM 460 CD GLN A 30 19.068 11.023 -2.745 1.00 0.31 C ATOM 461 OE1 GLN A 30 20.169 11.539 -2.549 1.00 31.11 O ATOM 462 NE2 GLN A 30 18.924 9.855 -3.360 1.00 0.13 N ATOM 0 H GLN A 30 15.322 13.544 -2.797 1.00 52.55 H new ATOM 0 HA GLN A 30 17.437 14.373 -4.422 1.00 62.01 H new ATOM 0 HB2 GLN A 30 18.774 13.560 -2.720 1.00 20.30 H new ATOM 0 HB3 GLN A 30 17.252 13.735 -1.870 1.00 20.30 H new ATOM 0 HG2 GLN A 30 17.704 11.609 -1.204 1.00 43.30 H new ATOM 0 HG3 GLN A 30 16.936 11.200 -2.725 1.00 43.30 H new ATOM 0 HE21 GLN A 30 17.992 9.464 -3.501 1.00 0.13 H new ATOM 0 HE22 GLN A 30 19.745 9.348 -3.691 1.00 0.13 H new ATOM 471 N PHE A 31 16.336 11.411 -5.089 1.00 64.30 N ATOM 472 CA PHE A 31 16.463 10.269 -5.987 1.00 41.15 C ATOM 473 C PHE A 31 16.222 10.687 -7.435 1.00 64.02 C ATOM 474 O PHE A 31 17.059 10.454 -8.308 1.00 64.42 O ATOM 475 CB PHE A 31 15.476 9.169 -5.591 1.00 52.34 C ATOM 476 CG PHE A 31 15.342 8.085 -6.622 1.00 31.55 C ATOM 477 CD1 PHE A 31 16.201 6.997 -6.618 1.00 1.44 C ATOM 478 CD2 PHE A 31 14.357 8.151 -7.593 1.00 53.54 C ATOM 479 CE1 PHE A 31 16.080 5.998 -7.565 1.00 5.31 C ATOM 480 CE2 PHE A 31 14.231 7.155 -8.543 1.00 50.11 C ATOM 481 CZ PHE A 31 15.093 6.077 -8.528 1.00 65.41 C ATOM 0 H PHE A 31 15.453 11.451 -4.580 1.00 64.30 H new ATOM 0 HA PHE A 31 17.479 9.883 -5.902 1.00 41.15 H new ATOM 0 HB2 PHE A 31 15.797 8.725 -4.649 1.00 52.34 H new ATOM 0 HB3 PHE A 31 14.497 9.616 -5.416 1.00 52.34 H new ATOM 0 HD1 PHE A 31 16.973 6.929 -5.866 1.00 1.44 H new ATOM 0 HD2 PHE A 31 13.679 8.991 -7.608 1.00 53.54 H new ATOM 0 HE1 PHE A 31 16.757 5.156 -7.552 1.00 5.31 H new ATOM 0 HE2 PHE A 31 13.459 7.220 -9.296 1.00 50.11 H new ATOM 0 HZ PHE A 31 14.996 5.297 -9.268 1.00 65.41 H new ATOM 491 N LEU A 32 15.073 11.305 -7.683 1.00 1.44 N ATOM 492 CA LEU A 32 14.720 11.756 -9.024 1.00 42.24 C ATOM 493 C LEU A 32 15.630 12.895 -9.473 1.00 42.11 C ATOM 494 O LEU A 32 16.081 12.930 -10.618 1.00 54.45 O ATOM 495 CB LEU A 32 13.260 12.209 -9.064 1.00 13.30 C ATOM 496 CG LEU A 32 12.837 13.208 -7.986 1.00 5.20 C ATOM 497 CD1 LEU A 32 12.969 14.634 -8.499 1.00 34.04 C ATOM 498 CD2 LEU A 32 11.412 12.932 -7.532 1.00 34.21 C ATOM 0 H LEU A 32 14.369 11.505 -6.972 1.00 1.44 H new ATOM 0 HA LEU A 32 14.853 10.918 -9.708 1.00 42.24 H new ATOM 0 HB2 LEU A 32 13.065 12.654 -10.040 1.00 13.30 H new ATOM 0 HB3 LEU A 32 12.625 11.327 -8.983 1.00 13.30 H new ATOM 0 HG LEU A 32 13.499 13.089 -7.128 1.00 5.20 H new ATOM 0 HD11 LEU A 32 12.664 15.331 -7.719 1.00 34.04 H new ATOM 0 HD12 LEU A 32 14.006 14.828 -8.773 1.00 34.04 H new ATOM 0 HD13 LEU A 32 12.332 14.767 -9.373 1.00 34.04 H new ATOM 0 HD21 LEU A 32 11.129 13.653 -6.765 1.00 34.21 H new ATOM 0 HD22 LEU A 32 10.736 13.022 -8.382 1.00 34.21 H new ATOM 0 HD23 LEU A 32 11.349 11.923 -7.123 1.00 34.21 H new ATOM 510 N LYS A 33 15.899 13.825 -8.562 1.00 70.44 N ATOM 511 CA LYS A 33 16.758 14.964 -8.862 1.00 23.13 C ATOM 512 C LYS A 33 18.112 14.500 -9.390 1.00 51.34 C ATOM 513 O LYS A 33 18.772 15.213 -10.147 1.00 43.11 O ATOM 514 CB LYS A 33 16.954 15.823 -7.611 1.00 5.41 C ATOM 515 CG LYS A 33 18.408 16.155 -7.323 1.00 4.32 C ATOM 516 CD LYS A 33 19.105 15.021 -6.591 1.00 31.54 C ATOM 517 CE LYS A 33 20.552 14.875 -7.036 1.00 10.13 C ATOM 518 NZ LYS A 33 21.496 15.489 -6.061 1.00 64.35 N ATOM 0 H LYS A 33 15.534 13.812 -7.610 1.00 70.44 H new ATOM 0 HA LYS A 33 16.272 15.561 -9.634 1.00 23.13 H new ATOM 0 HB2 LYS A 33 16.394 16.751 -7.726 1.00 5.41 H new ATOM 0 HB3 LYS A 33 16.532 15.301 -6.752 1.00 5.41 H new ATOM 0 HG2 LYS A 33 18.928 16.359 -8.259 1.00 4.32 H new ATOM 0 HG3 LYS A 33 18.463 17.064 -6.724 1.00 4.32 H new ATOM 0 HD2 LYS A 33 19.070 15.204 -5.517 1.00 31.54 H new ATOM 0 HD3 LYS A 33 18.572 14.088 -6.772 1.00 31.54 H new ATOM 0 HE2 LYS A 33 20.790 13.818 -7.156 1.00 10.13 H new ATOM 0 HE3 LYS A 33 20.681 15.344 -8.011 1.00 10.13 H new ATOM 0 HZ1 LYS A 33 22.388 15.723 -6.542 1.00 64.35 H new ATOM 0 HZ2 LYS A 33 21.076 16.356 -5.669 1.00 64.35 H new ATOM 0 HZ3 LYS A 33 21.685 14.817 -5.290 1.00 64.35 H new ATOM 532 N THR A 34 18.520 13.301 -8.988 1.00 61.43 N ATOM 533 CA THR A 34 19.794 12.742 -9.422 1.00 25.03 C ATOM 534 C THR A 34 19.689 12.154 -10.824 1.00 74.01 C ATOM 535 O THR A 34 20.687 12.035 -11.536 1.00 10.13 O ATOM 536 CB THR A 34 20.286 11.649 -8.455 1.00 24.53 C ATOM 537 OG1 THR A 34 21.692 11.796 -8.222 1.00 53.15 O ATOM 538 CG2 THR A 34 20.003 10.263 -9.015 1.00 14.01 C ATOM 0 H THR A 34 17.986 12.698 -8.362 1.00 61.43 H new ATOM 0 HA THR A 34 20.512 13.562 -9.429 1.00 25.03 H new ATOM 0 HB THR A 34 19.748 11.761 -7.513 1.00 24.53 H new ATOM 0 HG1 THR A 34 21.996 11.098 -7.605 1.00 53.15 H new ATOM 0 HG21 THR A 34 20.359 9.508 -8.314 1.00 14.01 H new ATOM 0 HG22 THR A 34 18.930 10.143 -9.163 1.00 14.01 H new ATOM 0 HG23 THR A 34 20.517 10.144 -9.969 1.00 14.01 H new ATOM 546 N LEU A 35 18.473 11.788 -11.217 1.00 25.13 N ATOM 547 CA LEU A 35 18.237 11.212 -12.536 1.00 52.32 C ATOM 548 C LEU A 35 18.258 12.292 -13.613 1.00 44.22 C ATOM 549 O LEU A 35 19.074 12.250 -14.535 1.00 21.31 O ATOM 550 CB LEU A 35 16.895 10.478 -12.561 1.00 0.22 C ATOM 551 CG LEU A 35 16.571 9.631 -11.330 1.00 14.33 C ATOM 552 CD1 LEU A 35 15.191 9.006 -11.461 1.00 33.42 C ATOM 553 CD2 LEU A 35 17.629 8.556 -11.128 1.00 13.41 C ATOM 0 H LEU A 35 17.636 11.880 -10.641 1.00 25.13 H new ATOM 0 HA LEU A 35 19.037 10.501 -12.743 1.00 52.32 H new ATOM 0 HB2 LEU A 35 16.103 11.215 -12.689 1.00 0.22 H new ATOM 0 HB3 LEU A 35 16.873 9.831 -13.438 1.00 0.22 H new ATOM 0 HG LEU A 35 16.571 10.281 -10.455 1.00 14.33 H new ATOM 0 HD11 LEU A 35 14.977 8.407 -10.576 1.00 33.42 H new ATOM 0 HD12 LEU A 35 14.443 9.793 -11.556 1.00 33.42 H new ATOM 0 HD13 LEU A 35 15.162 8.370 -12.346 1.00 33.42 H new ATOM 0 HD21 LEU A 35 17.382 7.963 -10.247 1.00 13.41 H new ATOM 0 HD22 LEU A 35 17.662 7.908 -12.004 1.00 13.41 H new ATOM 0 HD23 LEU A 35 18.603 9.026 -10.988 1.00 13.41 H new ATOM 565 N THR A 36 17.357 13.262 -13.490 1.00 4.01 N ATOM 566 CA THR A 36 17.273 14.354 -14.451 1.00 63.04 C ATOM 567 C THR A 36 17.120 15.697 -13.746 1.00 74.25 C ATOM 568 O THR A 36 17.521 16.734 -14.272 1.00 4.24 O ATOM 569 CB THR A 36 16.093 14.158 -15.422 1.00 2.42 C ATOM 570 OG1 THR A 36 15.975 15.295 -16.285 1.00 30.02 O ATOM 571 CG2 THR A 36 14.793 13.957 -14.659 1.00 13.44 C ATOM 0 H THR A 36 16.675 13.313 -12.733 1.00 4.01 H new ATOM 0 HA THR A 36 18.204 14.349 -15.017 1.00 63.04 H new ATOM 0 HB THR A 36 16.286 13.267 -16.020 1.00 2.42 H new ATOM 0 HG1 THR A 36 15.159 15.215 -16.822 1.00 30.02 H new ATOM 0 HG21 THR A 36 13.974 13.821 -15.365 1.00 13.44 H new ATOM 0 HG22 THR A 36 14.876 13.074 -14.025 1.00 13.44 H new ATOM 0 HG23 THR A 36 14.596 14.832 -14.039 1.00 13.44 H new ATOM 579 N GLY A 37 16.535 15.670 -12.552 1.00 65.22 N ATOM 580 CA GLY A 37 16.340 16.892 -11.794 1.00 72.14 C ATOM 581 C GLY A 37 17.649 17.548 -11.403 1.00 63.44 C ATOM 582 O GLY A 37 18.724 17.067 -11.762 1.00 63.31 O ATOM 0 H GLY A 37 16.193 14.824 -12.097 1.00 65.22 H new ATOM 0 HA2 GLY A 37 15.749 17.592 -12.385 1.00 72.14 H new ATOM 0 HA3 GLY A 37 15.766 16.670 -10.895 1.00 72.14 H new ATOM 586 N VAL A 38 17.560 18.650 -10.667 1.00 3.54 N ATOM 587 CA VAL A 38 18.747 19.374 -10.227 1.00 64.00 C ATOM 588 C VAL A 38 18.915 19.287 -8.714 1.00 52.52 C ATOM 589 O VAL A 38 17.944 19.394 -7.964 1.00 12.52 O ATOM 590 CB VAL A 38 18.687 20.856 -10.642 1.00 1.01 C ATOM 591 CG1 VAL A 38 17.286 21.412 -10.437 1.00 20.42 C ATOM 592 CG2 VAL A 38 19.711 21.669 -9.864 1.00 31.21 C ATOM 0 H VAL A 38 16.678 19.062 -10.362 1.00 3.54 H new ATOM 0 HA VAL A 38 19.602 18.903 -10.712 1.00 64.00 H new ATOM 0 HB VAL A 38 18.929 20.928 -11.702 1.00 1.01 H new ATOM 0 HG11 VAL A 38 17.263 22.460 -10.736 1.00 20.42 H new ATOM 0 HG12 VAL A 38 16.578 20.847 -11.043 1.00 20.42 H new ATOM 0 HG13 VAL A 38 17.012 21.328 -9.385 1.00 20.42 H new ATOM 0 HG21 VAL A 38 19.655 22.714 -10.170 1.00 31.21 H new ATOM 0 HG22 VAL A 38 19.502 21.592 -8.797 1.00 31.21 H new ATOM 0 HG23 VAL A 38 20.711 21.285 -10.067 1.00 31.21 H new ATOM 602 N LEU A 39 20.152 19.094 -8.272 1.00 22.33 N ATOM 603 CA LEU A 39 20.448 18.993 -6.847 1.00 3.32 C ATOM 604 C LEU A 39 19.933 20.217 -6.096 1.00 31.11 C ATOM 605 O LEU A 39 19.841 21.317 -6.641 1.00 71.00 O ATOM 606 CB LEU A 39 21.955 18.844 -6.628 1.00 71.11 C ATOM 607 CG LEU A 39 22.853 19.610 -7.600 1.00 4.24 C ATOM 608 CD1 LEU A 39 22.981 18.858 -8.915 1.00 61.11 C ATOM 609 CD2 LEU A 39 22.310 21.012 -7.835 1.00 44.13 C ATOM 0 H LEU A 39 20.967 19.004 -8.879 1.00 22.33 H new ATOM 0 HA LEU A 39 19.941 18.110 -6.458 1.00 3.32 H new ATOM 0 HB2 LEU A 39 22.189 19.170 -5.615 1.00 71.11 H new ATOM 0 HB3 LEU A 39 22.208 17.785 -6.688 1.00 71.11 H new ATOM 0 HG LEU A 39 23.845 19.696 -7.157 1.00 4.24 H new ATOM 0 HD11 LEU A 39 23.624 19.419 -9.594 1.00 61.11 H new ATOM 0 HD12 LEU A 39 23.416 17.876 -8.732 1.00 61.11 H new ATOM 0 HD13 LEU A 39 21.995 18.740 -9.364 1.00 61.11 H new ATOM 0 HD21 LEU A 39 22.961 21.543 -8.529 1.00 44.13 H new ATOM 0 HD22 LEU A 39 21.307 20.948 -8.256 1.00 44.13 H new ATOM 0 HD23 LEU A 39 22.272 21.551 -6.888 1.00 44.13 H new ATOM 621 N PRO A 40 19.590 20.024 -4.814 1.00 21.43 N ATOM 622 CA PRO A 40 19.081 21.101 -3.959 1.00 72.44 C ATOM 623 C PRO A 40 20.155 22.128 -3.620 1.00 21.05 C ATOM 624 O PRO A 40 19.848 23.266 -3.266 1.00 21.10 O ATOM 625 CB PRO A 40 18.625 20.366 -2.696 1.00 72.14 C ATOM 626 CG PRO A 40 19.447 19.124 -2.663 1.00 74.20 C ATOM 627 CD PRO A 40 19.674 18.739 -4.099 1.00 32.12 C ATOM 0 HA PRO A 40 18.289 21.669 -4.447 1.00 72.44 H new ATOM 0 HB2 PRO A 40 18.788 20.972 -1.805 1.00 72.14 H new ATOM 0 HB3 PRO A 40 17.560 20.135 -2.735 1.00 72.14 H new ATOM 0 HG2 PRO A 40 20.394 19.296 -2.151 1.00 74.20 H new ATOM 0 HG3 PRO A 40 18.932 18.330 -2.123 1.00 74.20 H new ATOM 0 HD2 PRO A 40 20.645 18.264 -4.239 1.00 32.12 H new ATOM 0 HD3 PRO A 40 18.921 18.034 -4.450 1.00 32.12 H new ATOM 635 N GLU A 41 21.415 21.719 -3.730 1.00 21.44 N ATOM 636 CA GLU A 41 22.534 22.605 -3.433 1.00 43.10 C ATOM 637 C GLU A 41 22.436 23.895 -4.243 1.00 22.22 C ATOM 638 O GLU A 41 22.741 24.978 -3.744 1.00 14.23 O ATOM 639 CB GLU A 41 23.862 21.904 -3.729 1.00 74.21 C ATOM 640 CG GLU A 41 25.072 22.814 -3.606 1.00 12.22 C ATOM 641 CD GLU A 41 25.102 23.569 -2.291 1.00 41.42 C ATOM 642 OE1 GLU A 41 25.206 22.914 -1.233 1.00 75.43 O ATOM 643 OE2 GLU A 41 25.022 24.815 -2.320 1.00 3.11 O ATOM 0 H GLU A 41 21.686 20.780 -4.022 1.00 21.44 H new ATOM 0 HA GLU A 41 22.493 22.857 -2.373 1.00 43.10 H new ATOM 0 HB2 GLU A 41 23.979 21.063 -3.045 1.00 74.21 H new ATOM 0 HB3 GLU A 41 23.829 21.492 -4.738 1.00 74.21 H new ATOM 0 HG2 GLU A 41 25.981 22.219 -3.700 1.00 12.22 H new ATOM 0 HG3 GLU A 41 25.071 23.527 -4.430 1.00 12.22 H new ATOM 650 N ARG A 42 22.010 23.769 -5.495 1.00 53.12 N ATOM 651 CA ARG A 42 21.873 24.923 -6.375 1.00 41.42 C ATOM 652 C ARG A 42 20.407 25.316 -6.533 1.00 1.20 C ATOM 653 O ARG A 42 20.070 26.500 -6.547 1.00 24.12 O ATOM 654 CB ARG A 42 22.482 24.621 -7.746 1.00 14.51 C ATOM 655 CG ARG A 42 23.967 24.929 -7.834 1.00 4.52 C ATOM 656 CD ARG A 42 24.807 23.672 -7.671 1.00 5.51 C ATOM 657 NE ARG A 42 26.146 23.970 -7.167 1.00 73.03 N ATOM 658 CZ ARG A 42 27.148 23.098 -7.183 1.00 74.14 C ATOM 659 NH1 ARG A 42 26.964 21.881 -7.676 1.00 34.45 N ATOM 660 NH2 ARG A 42 28.337 23.443 -6.707 1.00 11.21 N ATOM 0 H ARG A 42 21.754 22.879 -5.923 1.00 53.12 H new ATOM 0 HA ARG A 42 22.408 25.758 -5.923 1.00 41.42 H new ATOM 0 HB2 ARG A 42 22.323 23.568 -7.981 1.00 14.51 H new ATOM 0 HB3 ARG A 42 21.954 25.200 -8.504 1.00 14.51 H new ATOM 0 HG2 ARG A 42 24.187 25.393 -8.795 1.00 4.52 H new ATOM 0 HG3 ARG A 42 24.236 25.651 -7.063 1.00 4.52 H new ATOM 0 HD2 ARG A 42 24.306 22.987 -6.987 1.00 5.51 H new ATOM 0 HD3 ARG A 42 24.886 23.162 -8.631 1.00 5.51 H new ATOM 0 HE ARG A 42 26.321 24.898 -6.782 1.00 73.03 H new ATOM 0 HH11 ARG A 42 26.051 21.612 -8.044 1.00 34.45 H new ATOM 0 HH12 ARG A 42 27.735 21.213 -7.687 1.00 34.45 H new ATOM 0 HH21 ARG A 42 28.483 24.379 -6.328 1.00 11.21 H new ATOM 0 HH22 ARG A 42 29.106 22.773 -6.720 1.00 11.21 H new ATOM 674 N GLN A 43 19.541 24.315 -6.652 1.00 40.11 N ATOM 675 CA GLN A 43 18.112 24.557 -6.810 1.00 72.32 C ATOM 676 C GLN A 43 17.387 24.427 -5.475 1.00 12.23 C ATOM 677 O GLN A 43 17.883 23.789 -4.546 1.00 12.11 O ATOM 678 CB GLN A 43 17.517 23.578 -7.824 1.00 53.00 C ATOM 679 CG GLN A 43 17.064 22.264 -7.208 1.00 1.11 C ATOM 680 CD GLN A 43 15.647 22.328 -6.672 1.00 45.20 C ATOM 681 OE1 GLN A 43 14.896 23.254 -6.981 1.00 30.45 O ATOM 682 NE2 GLN A 43 15.275 21.342 -5.864 1.00 54.33 N ATOM 0 H GLN A 43 19.804 23.329 -6.642 1.00 40.11 H new ATOM 0 HA GLN A 43 17.980 25.575 -7.177 1.00 72.32 H new ATOM 0 HB2 GLN A 43 16.667 24.050 -8.317 1.00 53.00 H new ATOM 0 HB3 GLN A 43 18.259 23.371 -8.595 1.00 53.00 H new ATOM 0 HG2 GLN A 43 17.130 21.474 -7.957 1.00 1.11 H new ATOM 0 HG3 GLN A 43 17.742 21.993 -6.399 1.00 1.11 H new ATOM 0 HE21 GLN A 43 15.931 20.595 -5.635 1.00 54.33 H new ATOM 0 HE22 GLN A 43 14.333 21.332 -5.472 1.00 54.33 H new ATOM 691 N LYS A 44 16.210 25.037 -5.385 1.00 12.25 N ATOM 692 CA LYS A 44 15.415 24.990 -4.163 1.00 53.12 C ATOM 693 C LYS A 44 13.992 24.524 -4.458 1.00 3.54 C ATOM 694 O LYS A 44 13.403 24.899 -5.472 1.00 52.51 O ATOM 695 CB LYS A 44 15.384 26.367 -3.497 1.00 1.42 C ATOM 696 CG LYS A 44 14.785 27.454 -4.373 1.00 34.23 C ATOM 697 CD LYS A 44 13.276 27.532 -4.210 1.00 11.33 C ATOM 698 CE LYS A 44 12.811 28.967 -4.009 1.00 71.42 C ATOM 699 NZ LYS A 44 11.458 29.030 -3.390 1.00 71.42 N ATOM 0 H LYS A 44 15.785 25.570 -6.144 1.00 12.25 H new ATOM 0 HA LYS A 44 15.880 24.275 -3.484 1.00 53.12 H new ATOM 0 HB2 LYS A 44 14.811 26.301 -2.572 1.00 1.42 H new ATOM 0 HB3 LYS A 44 16.400 26.652 -3.223 1.00 1.42 H new ATOM 0 HG2 LYS A 44 15.230 28.416 -4.117 1.00 34.23 H new ATOM 0 HG3 LYS A 44 15.030 27.258 -5.417 1.00 34.23 H new ATOM 0 HD2 LYS A 44 12.791 27.111 -5.091 1.00 11.33 H new ATOM 0 HD3 LYS A 44 12.969 26.926 -3.358 1.00 11.33 H new ATOM 0 HE2 LYS A 44 13.525 29.495 -3.376 1.00 71.42 H new ATOM 0 HE3 LYS A 44 12.795 29.482 -4.970 1.00 71.42 H new ATOM 0 HZ1 LYS A 44 10.925 29.822 -3.801 1.00 71.42 H new ATOM 0 HZ2 LYS A 44 10.951 28.140 -3.572 1.00 71.42 H new ATOM 0 HZ3 LYS A 44 11.552 29.172 -2.364 1.00 71.42 H new ATOM 713 N LEU A 45 13.446 23.707 -3.565 1.00 33.14 N ATOM 714 CA LEU A 45 12.091 23.191 -3.728 1.00 11.10 C ATOM 715 C LEU A 45 11.063 24.311 -3.602 1.00 41.12 C ATOM 716 O LEU A 45 11.153 25.153 -2.707 1.00 74.05 O ATOM 717 CB LEU A 45 11.809 22.105 -2.688 1.00 53.22 C ATOM 718 CG LEU A 45 12.437 20.738 -2.959 1.00 31.44 C ATOM 719 CD1 LEU A 45 12.049 20.236 -4.341 1.00 33.33 C ATOM 720 CD2 LEU A 45 13.951 20.809 -2.821 1.00 13.41 C ATOM 0 H LEU A 45 13.920 23.387 -2.720 1.00 33.14 H new ATOM 0 HA LEU A 45 12.011 22.760 -4.726 1.00 11.10 H new ATOM 0 HB2 LEU A 45 12.160 22.458 -1.719 1.00 53.22 H new ATOM 0 HB3 LEU A 45 10.729 21.977 -2.609 1.00 53.22 H new ATOM 0 HG LEU A 45 12.058 20.033 -2.219 1.00 31.44 H new ATOM 0 HD11 LEU A 45 12.506 19.262 -4.516 1.00 33.33 H new ATOM 0 HD12 LEU A 45 10.965 20.145 -4.404 1.00 33.33 H new ATOM 0 HD13 LEU A 45 12.398 20.941 -5.095 1.00 33.33 H new ATOM 0 HD21 LEU A 45 14.381 19.827 -3.017 1.00 13.41 H new ATOM 0 HD22 LEU A 45 14.348 21.529 -3.537 1.00 13.41 H new ATOM 0 HD23 LEU A 45 14.210 21.123 -1.810 1.00 13.41 H new ATOM 732 N LEU A 46 10.086 24.314 -4.502 1.00 41.13 N ATOM 733 CA LEU A 46 9.039 25.329 -4.491 1.00 54.41 C ATOM 734 C LEU A 46 7.962 24.989 -3.466 1.00 13.52 C ATOM 735 O LEU A 46 7.768 25.714 -2.490 1.00 63.42 O ATOM 736 CB LEU A 46 8.413 25.460 -5.881 1.00 32.02 C ATOM 737 CG LEU A 46 9.247 26.202 -6.926 1.00 10.14 C ATOM 738 CD1 LEU A 46 9.657 27.571 -6.406 1.00 45.35 C ATOM 739 CD2 LEU A 46 10.473 25.385 -7.308 1.00 14.12 C ATOM 0 H LEU A 46 9.997 23.625 -5.249 1.00 41.13 H new ATOM 0 HA LEU A 46 9.493 26.280 -4.213 1.00 54.41 H new ATOM 0 HB2 LEU A 46 8.202 24.459 -6.258 1.00 32.02 H new ATOM 0 HB3 LEU A 46 7.456 25.971 -5.780 1.00 32.02 H new ATOM 0 HG LEU A 46 8.637 26.342 -7.818 1.00 10.14 H new ATOM 0 HD11 LEU A 46 10.250 28.085 -7.163 1.00 45.35 H new ATOM 0 HD12 LEU A 46 8.766 28.157 -6.183 1.00 45.35 H new ATOM 0 HD13 LEU A 46 10.250 27.453 -5.499 1.00 45.35 H new ATOM 0 HD21 LEU A 46 11.055 25.928 -8.053 1.00 14.12 H new ATOM 0 HD22 LEU A 46 11.086 25.213 -6.423 1.00 14.12 H new ATOM 0 HD23 LEU A 46 10.157 24.427 -7.722 1.00 14.12 H new ATOM 751 N GLY A 47 7.264 23.881 -3.693 1.00 71.33 N ATOM 752 CA GLY A 47 6.217 23.463 -2.780 1.00 34.23 C ATOM 753 C GLY A 47 6.704 22.450 -1.763 1.00 61.53 C ATOM 754 O GLY A 47 6.160 21.349 -1.662 1.00 62.14 O ATOM 0 H GLY A 47 7.405 23.265 -4.494 1.00 71.33 H new ATOM 0 HA2 GLY A 47 5.824 24.336 -2.259 1.00 34.23 H new ATOM 0 HA3 GLY A 47 5.393 23.034 -3.350 1.00 34.23 H new ATOM 758 N LEU A 48 7.733 22.819 -1.009 1.00 1.13 N ATOM 759 CA LEU A 48 8.296 21.933 0.005 1.00 52.33 C ATOM 760 C LEU A 48 7.246 21.561 1.046 1.00 14.35 C ATOM 761 O LEU A 48 7.441 20.640 1.839 1.00 33.42 O ATOM 762 CB LEU A 48 9.492 22.600 0.686 1.00 42.24 C ATOM 763 CG LEU A 48 9.164 23.722 1.671 1.00 1.14 C ATOM 764 CD1 LEU A 48 8.270 24.763 1.016 1.00 10.55 C ATOM 765 CD2 LEU A 48 8.503 23.158 2.920 1.00 14.14 C ATOM 0 H LEU A 48 8.195 23.726 -1.080 1.00 1.13 H new ATOM 0 HA LEU A 48 8.630 21.021 -0.490 1.00 52.33 H new ATOM 0 HB2 LEU A 48 10.057 21.833 1.215 1.00 42.24 H new ATOM 0 HB3 LEU A 48 10.147 23.002 -0.087 1.00 42.24 H new ATOM 0 HG LEU A 48 10.095 24.206 1.964 1.00 1.14 H new ATOM 0 HD11 LEU A 48 8.047 25.554 1.732 1.00 10.55 H new ATOM 0 HD12 LEU A 48 8.780 25.189 0.152 1.00 10.55 H new ATOM 0 HD13 LEU A 48 7.341 24.293 0.693 1.00 10.55 H new ATOM 0 HD21 LEU A 48 8.276 23.971 3.610 1.00 14.14 H new ATOM 0 HD22 LEU A 48 7.580 22.648 2.644 1.00 14.14 H new ATOM 0 HD23 LEU A 48 9.178 22.451 3.401 1.00 14.14 H new ATOM 777 N LYS A 49 6.130 22.283 1.038 1.00 31.22 N ATOM 778 CA LYS A 49 5.046 22.028 1.979 1.00 20.54 C ATOM 779 C LYS A 49 3.745 21.728 1.242 1.00 33.53 C ATOM 780 O LYS A 49 3.484 22.279 0.173 1.00 31.00 O ATOM 781 CB LYS A 49 4.854 23.230 2.906 1.00 10.13 C ATOM 782 CG LYS A 49 5.167 24.562 2.247 1.00 11.20 C ATOM 783 CD LYS A 49 4.234 25.658 2.734 1.00 54.14 C ATOM 784 CE LYS A 49 4.847 27.037 2.545 1.00 52.14 C ATOM 785 NZ LYS A 49 4.133 28.075 3.339 1.00 3.01 N ATOM 0 H LYS A 49 5.953 23.050 0.389 1.00 31.22 H new ATOM 0 HA LYS A 49 5.314 21.156 2.576 1.00 20.54 H new ATOM 0 HB2 LYS A 49 3.824 23.243 3.261 1.00 10.13 H new ATOM 0 HB3 LYS A 49 5.492 23.109 3.782 1.00 10.13 H new ATOM 0 HG2 LYS A 49 6.199 24.841 2.460 1.00 11.20 H new ATOM 0 HG3 LYS A 49 5.080 24.463 1.165 1.00 11.20 H new ATOM 0 HD2 LYS A 49 3.290 25.601 2.192 1.00 54.14 H new ATOM 0 HD3 LYS A 49 4.006 25.501 3.788 1.00 54.14 H new ATOM 0 HE2 LYS A 49 5.896 27.012 2.840 1.00 52.14 H new ATOM 0 HE3 LYS A 49 4.820 27.305 1.489 1.00 52.14 H new ATOM 0 HZ1 LYS A 49 4.581 29.001 3.183 1.00 3.01 H new ATOM 0 HZ2 LYS A 49 3.138 28.117 3.040 1.00 3.01 H new ATOM 0 HZ3 LYS A 49 4.181 27.833 4.349 1.00 3.01 H new ATOM 799 N VAL A 50 2.930 20.851 1.822 1.00 42.15 N ATOM 800 CA VAL A 50 1.655 20.480 1.221 1.00 74.02 C ATOM 801 C VAL A 50 0.589 20.258 2.288 1.00 73.52 C ATOM 802 O VAL A 50 0.876 19.751 3.372 1.00 20.15 O ATOM 803 CB VAL A 50 1.786 19.204 0.368 1.00 11.10 C ATOM 804 CG1 VAL A 50 2.067 17.998 1.251 1.00 4.02 C ATOM 805 CG2 VAL A 50 0.529 18.986 -0.461 1.00 43.42 C ATOM 0 H VAL A 50 3.131 20.385 2.707 1.00 42.15 H new ATOM 0 HA VAL A 50 1.355 21.308 0.578 1.00 74.02 H new ATOM 0 HB VAL A 50 2.627 19.329 -0.314 1.00 11.10 H new ATOM 0 HG11 VAL A 50 2.156 17.106 0.631 1.00 4.02 H new ATOM 0 HG12 VAL A 50 2.997 18.155 1.797 1.00 4.02 H new ATOM 0 HG13 VAL A 50 1.249 17.867 1.959 1.00 4.02 H new ATOM 0 HG21 VAL A 50 0.639 18.080 -1.057 1.00 43.42 H new ATOM 0 HG22 VAL A 50 -0.330 18.882 0.202 1.00 43.42 H new ATOM 0 HG23 VAL A 50 0.376 19.839 -1.122 1.00 43.42 H new ATOM 815 N LYS A 51 -0.644 20.639 1.973 1.00 54.31 N ATOM 816 CA LYS A 51 -1.756 20.481 2.903 1.00 30.41 C ATOM 817 C LYS A 51 -1.446 21.146 4.240 1.00 0.11 C ATOM 818 O LYS A 51 -1.909 20.700 5.289 1.00 54.12 O ATOM 819 CB LYS A 51 -2.060 18.996 3.118 1.00 4.25 C ATOM 820 CG LYS A 51 -2.465 18.268 1.849 1.00 73.11 C ATOM 821 CD LYS A 51 -3.621 17.313 2.099 1.00 43.13 C ATOM 822 CE LYS A 51 -3.628 16.172 1.093 1.00 21.34 C ATOM 823 NZ LYS A 51 -4.654 15.145 1.427 1.00 3.11 N ATOM 0 H LYS A 51 -0.899 21.060 1.080 1.00 54.31 H new ATOM 0 HA LYS A 51 -2.631 20.966 2.470 1.00 30.41 H new ATOM 0 HB2 LYS A 51 -1.180 18.511 3.540 1.00 4.25 H new ATOM 0 HB3 LYS A 51 -2.859 18.900 3.853 1.00 4.25 H new ATOM 0 HG2 LYS A 51 -2.750 18.994 1.087 1.00 73.11 H new ATOM 0 HG3 LYS A 51 -1.612 17.714 1.458 1.00 73.11 H new ATOM 0 HD2 LYS A 51 -3.549 16.909 3.109 1.00 43.13 H new ATOM 0 HD3 LYS A 51 -4.563 17.857 2.040 1.00 43.13 H new ATOM 0 HE2 LYS A 51 -3.821 16.568 0.096 1.00 21.34 H new ATOM 0 HE3 LYS A 51 -2.643 15.706 1.065 1.00 21.34 H new ATOM 0 HZ1 LYS A 51 -4.627 14.384 0.718 1.00 3.11 H new ATOM 0 HZ2 LYS A 51 -4.455 14.749 2.368 1.00 3.11 H new ATOM 0 HZ3 LYS A 51 -5.597 15.584 1.428 1.00 3.11 H new ATOM 837 N GLY A 52 -0.660 22.218 4.195 1.00 62.43 N ATOM 838 CA GLY A 52 -0.303 22.928 5.409 1.00 60.21 C ATOM 839 C GLY A 52 0.869 22.291 6.130 1.00 53.32 C ATOM 840 O GLY A 52 1.414 22.866 7.073 1.00 70.55 O ATOM 0 H GLY A 52 -0.264 22.607 3.339 1.00 62.43 H new ATOM 0 HA2 GLY A 52 -0.056 23.961 5.163 1.00 60.21 H new ATOM 0 HA3 GLY A 52 -1.164 22.956 6.076 1.00 60.21 H new ATOM 844 N LYS A 53 1.257 21.100 5.687 1.00 1.15 N ATOM 845 CA LYS A 53 2.371 20.383 6.296 1.00 4.33 C ATOM 846 C LYS A 53 3.705 20.905 5.772 1.00 64.23 C ATOM 847 O LYS A 53 3.814 21.372 4.638 1.00 50.21 O ATOM 848 CB LYS A 53 2.253 18.883 6.017 1.00 11.25 C ATOM 849 CG LYS A 53 1.106 18.216 6.757 1.00 62.12 C ATOM 850 CD LYS A 53 1.319 18.248 8.261 1.00 14.10 C ATOM 851 CE LYS A 53 0.114 18.835 8.981 1.00 5.05 C ATOM 852 NZ LYS A 53 0.474 19.356 10.329 1.00 3.51 N ATOM 0 H LYS A 53 0.816 20.611 4.908 1.00 1.15 H new ATOM 0 HA LYS A 53 2.333 20.550 7.372 1.00 4.33 H new ATOM 0 HB2 LYS A 53 2.121 18.730 4.946 1.00 11.25 H new ATOM 0 HB3 LYS A 53 3.187 18.395 6.296 1.00 11.25 H new ATOM 0 HG2 LYS A 53 0.171 18.719 6.510 1.00 62.12 H new ATOM 0 HG3 LYS A 53 1.009 17.183 6.424 1.00 62.12 H new ATOM 0 HD2 LYS A 53 1.505 17.238 8.625 1.00 14.10 H new ATOM 0 HD3 LYS A 53 2.206 18.839 8.492 1.00 14.10 H new ATOM 0 HE2 LYS A 53 -0.311 19.640 8.382 1.00 5.05 H new ATOM 0 HE3 LYS A 53 -0.657 18.071 9.081 1.00 5.05 H new ATOM 0 HZ1 LYS A 53 -0.373 19.748 10.788 1.00 3.51 H new ATOM 0 HZ2 LYS A 53 0.856 18.582 10.910 1.00 3.51 H new ATOM 0 HZ3 LYS A 53 1.191 20.103 10.232 1.00 3.51 H new ATOM 866 N PRO A 54 4.746 20.823 6.614 1.00 62.12 N ATOM 867 CA PRO A 54 6.092 21.280 6.256 1.00 61.04 C ATOM 868 C PRO A 54 6.746 20.389 5.205 1.00 43.31 C ATOM 869 O PRO A 54 7.552 20.853 4.399 1.00 42.41 O ATOM 870 CB PRO A 54 6.858 21.198 7.578 1.00 23.12 C ATOM 871 CG PRO A 54 6.137 20.163 8.370 1.00 20.32 C ATOM 872 CD PRO A 54 4.689 20.277 7.980 1.00 3.23 C ATOM 0 HA PRO A 54 6.080 22.277 5.816 1.00 61.04 H new ATOM 0 HB2 PRO A 54 7.899 20.918 7.416 1.00 23.12 H new ATOM 0 HB3 PRO A 54 6.863 22.159 8.093 1.00 23.12 H new ATOM 0 HG2 PRO A 54 6.522 19.167 8.153 1.00 20.32 H new ATOM 0 HG3 PRO A 54 6.267 20.329 9.439 1.00 20.32 H new ATOM 0 HD2 PRO A 54 4.189 19.309 8.005 1.00 3.23 H new ATOM 0 HD3 PRO A 54 4.142 20.936 8.654 1.00 3.23 H new ATOM 880 N ALA A 55 6.394 19.108 5.219 1.00 32.04 N ATOM 881 CA ALA A 55 6.945 18.153 4.266 1.00 40.20 C ATOM 882 C ALA A 55 8.402 18.473 3.948 1.00 14.51 C ATOM 883 O ALA A 55 8.818 18.428 2.791 1.00 53.20 O ATOM 884 CB ALA A 55 6.115 18.141 2.991 1.00 12.30 C ATOM 0 H ALA A 55 5.729 18.707 5.881 1.00 32.04 H new ATOM 0 HA ALA A 55 6.908 17.163 4.720 1.00 40.20 H new ATOM 0 HB1 ALA A 55 6.538 17.423 2.288 1.00 12.30 H new ATOM 0 HB2 ALA A 55 5.090 17.857 3.227 1.00 12.30 H new ATOM 0 HB3 ALA A 55 6.122 19.135 2.543 1.00 12.30 H new ATOM 890 N GLU A 56 9.171 18.798 4.983 1.00 70.34 N ATOM 891 CA GLU A 56 10.581 19.127 4.811 1.00 1.15 C ATOM 892 C GLU A 56 11.335 17.971 4.160 1.00 54.22 C ATOM 893 O GLU A 56 11.621 17.999 2.964 1.00 42.12 O ATOM 894 CB GLU A 56 11.216 19.467 6.162 1.00 53.45 C ATOM 895 CG GLU A 56 12.711 19.724 6.084 1.00 64.33 C ATOM 896 CD GLU A 56 13.081 21.143 6.467 1.00 12.43 C ATOM 897 OE1 GLU A 56 13.066 21.455 7.676 1.00 21.24 O ATOM 898 OE2 GLU A 56 13.385 21.943 5.557 1.00 11.14 O ATOM 0 H GLU A 56 8.842 18.840 5.947 1.00 70.34 H new ATOM 0 HA GLU A 56 10.647 19.996 4.156 1.00 1.15 H new ATOM 0 HB2 GLU A 56 10.725 20.349 6.573 1.00 53.45 H new ATOM 0 HB3 GLU A 56 11.032 18.647 6.857 1.00 53.45 H new ATOM 0 HG2 GLU A 56 13.230 19.027 6.742 1.00 64.33 H new ATOM 0 HG3 GLU A 56 13.058 19.523 5.070 1.00 64.33 H new ATOM 905 N ASN A 57 11.653 16.956 4.957 1.00 52.05 N ATOM 906 CA ASN A 57 12.374 15.790 4.458 1.00 1.54 C ATOM 907 C ASN A 57 12.137 14.580 5.356 1.00 72.54 C ATOM 908 O ASN A 57 12.002 13.454 4.874 1.00 3.44 O ATOM 909 CB ASN A 57 13.872 16.090 4.373 1.00 41.14 C ATOM 910 CG ASN A 57 14.329 17.066 5.440 1.00 34.42 C ATOM 911 OD1 ASN A 57 14.027 16.896 6.622 1.00 65.23 O ATOM 912 ND2 ASN A 57 15.059 18.095 5.027 1.00 23.24 N ATOM 0 H ASN A 57 11.423 16.917 5.950 1.00 52.05 H new ATOM 0 HA ASN A 57 11.999 15.560 3.461 1.00 1.54 H new ATOM 0 HB2 ASN A 57 14.432 15.160 4.472 1.00 41.14 H new ATOM 0 HB3 ASN A 57 14.103 16.498 3.389 1.00 41.14 H new ATOM 0 HD21 ASN A 57 15.394 18.785 5.699 1.00 23.24 H new ATOM 0 HD22 ASN A 57 15.285 18.195 4.037 1.00 23.24 H new ATOM 919 N ASP A 58 12.086 14.819 6.661 1.00 21.43 N ATOM 920 CA ASP A 58 11.863 13.748 7.627 1.00 43.45 C ATOM 921 C ASP A 58 10.465 13.158 7.470 1.00 24.01 C ATOM 922 O ASP A 58 10.137 12.143 8.084 1.00 73.42 O ATOM 923 CB ASP A 58 12.054 14.270 9.052 1.00 54.14 C ATOM 924 CG ASP A 58 11.748 13.218 10.099 1.00 20.41 C ATOM 925 OD1 ASP A 58 12.393 12.149 10.072 1.00 62.04 O ATOM 926 OD2 ASP A 58 10.863 13.462 10.946 1.00 40.21 O ATOM 0 H ASP A 58 12.196 15.745 7.075 1.00 21.43 H new ATOM 0 HA ASP A 58 12.593 12.961 7.436 1.00 43.45 H new ATOM 0 HB2 ASP A 58 13.081 14.613 9.175 1.00 54.14 H new ATOM 0 HB3 ASP A 58 11.408 15.134 9.209 1.00 54.14 H new ATOM 931 N VAL A 59 9.645 13.802 6.645 1.00 25.43 N ATOM 932 CA VAL A 59 8.283 13.341 6.408 1.00 32.40 C ATOM 933 C VAL A 59 8.261 12.170 5.431 1.00 11.33 C ATOM 934 O VAL A 59 9.081 12.095 4.516 1.00 10.20 O ATOM 935 CB VAL A 59 7.395 14.472 5.856 1.00 4.23 C ATOM 936 CG1 VAL A 59 5.940 14.034 5.807 1.00 32.22 C ATOM 937 CG2 VAL A 59 7.554 15.730 6.696 1.00 12.54 C ATOM 0 H VAL A 59 9.901 14.644 6.130 1.00 25.43 H new ATOM 0 HA VAL A 59 7.888 13.016 7.370 1.00 32.40 H new ATOM 0 HB VAL A 59 7.715 14.698 4.839 1.00 4.23 H new ATOM 0 HG11 VAL A 59 5.328 14.846 5.414 1.00 32.22 H new ATOM 0 HG12 VAL A 59 5.844 13.162 5.160 1.00 32.22 H new ATOM 0 HG13 VAL A 59 5.603 13.779 6.812 1.00 32.22 H new ATOM 0 HG21 VAL A 59 6.920 16.519 6.293 1.00 12.54 H new ATOM 0 HG22 VAL A 59 7.262 15.520 7.725 1.00 12.54 H new ATOM 0 HG23 VAL A 59 8.595 16.053 6.673 1.00 12.54 H new ATOM 947 N LYS A 60 7.316 11.258 5.631 1.00 22.43 N ATOM 948 CA LYS A 60 7.184 10.090 4.768 1.00 44.13 C ATOM 949 C LYS A 60 6.191 10.356 3.641 1.00 33.14 C ATOM 950 O LYS A 60 5.259 11.146 3.796 1.00 54.23 O ATOM 951 CB LYS A 60 6.735 8.875 5.583 1.00 51.43 C ATOM 952 CG LYS A 60 7.768 8.403 6.590 1.00 25.43 C ATOM 953 CD LYS A 60 7.541 6.953 6.983 1.00 25.54 C ATOM 954 CE LYS A 60 8.016 6.679 8.402 1.00 20.23 C ATOM 955 NZ LYS A 60 7.276 5.547 9.026 1.00 11.11 N ATOM 0 H LYS A 60 6.629 11.305 6.384 1.00 22.43 H new ATOM 0 HA LYS A 60 8.159 9.883 4.328 1.00 44.13 H new ATOM 0 HB2 LYS A 60 5.813 9.122 6.109 1.00 51.43 H new ATOM 0 HB3 LYS A 60 6.504 8.056 4.902 1.00 51.43 H new ATOM 0 HG2 LYS A 60 8.767 8.514 6.168 1.00 25.43 H new ATOM 0 HG3 LYS A 60 7.726 9.033 7.479 1.00 25.43 H new ATOM 0 HD2 LYS A 60 6.481 6.714 6.901 1.00 25.54 H new ATOM 0 HD3 LYS A 60 8.070 6.300 6.289 1.00 25.54 H new ATOM 0 HE2 LYS A 60 9.082 6.454 8.391 1.00 20.23 H new ATOM 0 HE3 LYS A 60 7.886 7.576 9.008 1.00 20.23 H new ATOM 0 HZ1 LYS A 60 7.629 5.392 9.992 1.00 11.11 H new ATOM 0 HZ2 LYS A 60 6.261 5.772 9.060 1.00 11.11 H new ATOM 0 HZ3 LYS A 60 7.420 4.685 8.462 1.00 11.11 H new ATOM 969 N LEU A 61 6.394 9.691 2.510 1.00 64.32 N ATOM 970 CA LEU A 61 5.515 9.854 1.357 1.00 31.14 C ATOM 971 C LEU A 61 4.053 9.688 1.760 1.00 21.41 C ATOM 972 O LEU A 61 3.197 10.479 1.369 1.00 51.44 O ATOM 973 CB LEU A 61 5.874 8.841 0.269 1.00 24.21 C ATOM 974 CG LEU A 61 7.365 8.673 -0.026 1.00 4.21 C ATOM 975 CD1 LEU A 61 7.578 7.669 -1.148 1.00 30.32 C ATOM 976 CD2 LEU A 61 7.993 10.013 -0.381 1.00 54.34 C ATOM 0 H LEU A 61 7.160 9.033 2.366 1.00 64.32 H new ATOM 0 HA LEU A 61 5.653 10.862 0.965 1.00 31.14 H new ATOM 0 HB2 LEU A 61 5.469 7.871 0.556 1.00 24.21 H new ATOM 0 HB3 LEU A 61 5.373 9.135 -0.653 1.00 24.21 H new ATOM 0 HG LEU A 61 7.852 8.292 0.872 1.00 4.21 H new ATOM 0 HD11 LEU A 61 8.645 7.563 -1.344 1.00 30.32 H new ATOM 0 HD12 LEU A 61 7.165 6.704 -0.856 1.00 30.32 H new ATOM 0 HD13 LEU A 61 7.077 8.020 -2.050 1.00 30.32 H new ATOM 0 HD21 LEU A 61 9.054 9.874 -0.588 1.00 54.34 H new ATOM 0 HD22 LEU A 61 7.502 10.423 -1.264 1.00 54.34 H new ATOM 0 HD23 LEU A 61 7.873 10.703 0.454 1.00 54.34 H new ATOM 988 N GLY A 62 3.775 8.653 2.547 1.00 23.52 N ATOM 989 CA GLY A 62 2.417 8.402 2.992 1.00 52.32 C ATOM 990 C GLY A 62 1.987 9.343 4.100 1.00 52.33 C ATOM 991 O GLY A 62 0.806 9.414 4.439 1.00 1.53 O ATOM 0 H GLY A 62 4.467 7.984 2.884 1.00 23.52 H new ATOM 0 HA2 GLY A 62 1.736 8.505 2.147 1.00 52.32 H new ATOM 0 HA3 GLY A 62 2.337 7.373 3.342 1.00 52.32 H new ATOM 995 N ALA A 63 2.947 10.066 4.666 1.00 44.31 N ATOM 996 CA ALA A 63 2.662 11.007 5.742 1.00 52.43 C ATOM 997 C ALA A 63 2.156 12.336 5.189 1.00 24.11 C ATOM 998 O ALA A 63 1.328 13.003 5.810 1.00 53.22 O ATOM 999 CB ALA A 63 3.902 11.226 6.595 1.00 45.22 C ATOM 0 H ALA A 63 3.930 10.018 4.397 1.00 44.31 H new ATOM 0 HA ALA A 63 1.877 10.580 6.366 1.00 52.43 H new ATOM 0 HB1 ALA A 63 3.674 11.931 7.394 1.00 45.22 H new ATOM 0 HB2 ALA A 63 4.218 10.277 7.028 1.00 45.22 H new ATOM 0 HB3 ALA A 63 4.704 11.627 5.975 1.00 45.22 H new ATOM 1005 N LEU A 64 2.660 12.715 4.020 1.00 25.00 N ATOM 1006 CA LEU A 64 2.260 13.965 3.384 1.00 43.24 C ATOM 1007 C LEU A 64 0.848 13.860 2.818 1.00 52.43 C ATOM 1008 O LEU A 64 0.153 14.865 2.663 1.00 33.14 O ATOM 1009 CB LEU A 64 3.243 14.330 2.269 1.00 14.33 C ATOM 1010 CG LEU A 64 4.704 13.954 2.513 1.00 24.31 C ATOM 1011 CD1 LEU A 64 5.304 13.312 1.272 1.00 64.41 C ATOM 1012 CD2 LEU A 64 5.509 15.178 2.924 1.00 1.14 C ATOM 0 H LEU A 64 3.346 12.175 3.493 1.00 25.00 H new ATOM 0 HA LEU A 64 2.271 14.749 4.141 1.00 43.24 H new ATOM 0 HB2 LEU A 64 2.913 13.847 1.349 1.00 14.33 H new ATOM 0 HB3 LEU A 64 3.189 15.406 2.102 1.00 14.33 H new ATOM 0 HG LEU A 64 4.741 13.230 3.327 1.00 24.31 H new ATOM 0 HD11 LEU A 64 6.345 13.051 1.464 1.00 64.41 H new ATOM 0 HD12 LEU A 64 4.744 12.411 1.022 1.00 64.41 H new ATOM 0 HD13 LEU A 64 5.254 14.013 0.439 1.00 64.41 H new ATOM 0 HD21 LEU A 64 6.547 14.891 3.093 1.00 1.14 H new ATOM 0 HD22 LEU A 64 5.464 15.926 2.132 1.00 1.14 H new ATOM 0 HD23 LEU A 64 5.094 15.595 3.841 1.00 1.14 H new ATOM 1024 N LYS A 65 0.428 12.638 2.512 1.00 72.53 N ATOM 1025 CA LYS A 65 -0.903 12.399 1.966 1.00 12.32 C ATOM 1026 C LYS A 65 -1.069 13.089 0.616 1.00 15.41 C ATOM 1027 O LYS A 65 -2.139 13.615 0.303 1.00 21.44 O ATOM 1028 CB LYS A 65 -1.973 12.897 2.941 1.00 41.53 C ATOM 1029 CG LYS A 65 -1.761 12.426 4.369 1.00 12.41 C ATOM 1030 CD LYS A 65 -1.921 10.920 4.489 1.00 13.10 C ATOM 1031 CE LYS A 65 -1.628 10.439 5.902 1.00 53.21 C ATOM 1032 NZ LYS A 65 -1.686 8.955 6.006 1.00 63.23 N ATOM 0 H LYS A 65 0.991 11.796 2.633 1.00 72.53 H new ATOM 0 HA LYS A 65 -1.023 11.325 1.822 1.00 12.32 H new ATOM 0 HB2 LYS A 65 -1.988 13.987 2.925 1.00 41.53 H new ATOM 0 HB3 LYS A 65 -2.951 12.560 2.597 1.00 41.53 H new ATOM 0 HG2 LYS A 65 -0.765 12.715 4.704 1.00 12.41 H new ATOM 0 HG3 LYS A 65 -2.475 12.922 5.026 1.00 12.41 H new ATOM 0 HD2 LYS A 65 -2.936 10.638 4.211 1.00 13.10 H new ATOM 0 HD3 LYS A 65 -1.249 10.425 3.788 1.00 13.10 H new ATOM 0 HE2 LYS A 65 -0.641 10.786 6.206 1.00 53.21 H new ATOM 0 HE3 LYS A 65 -2.347 10.880 6.592 1.00 53.21 H new ATOM 0 HZ1 LYS A 65 -1.684 8.677 7.008 1.00 63.23 H new ATOM 0 HZ2 LYS A 65 -2.555 8.609 5.552 1.00 63.23 H new ATOM 0 HZ3 LYS A 65 -0.859 8.541 5.530 1.00 63.23 H new ATOM 1046 N LEU A 66 -0.007 13.084 -0.181 1.00 23.42 N ATOM 1047 CA LEU A 66 -0.035 13.708 -1.499 1.00 75.10 C ATOM 1048 C LEU A 66 -0.450 12.703 -2.569 1.00 21.43 C ATOM 1049 O LEU A 66 -0.238 11.499 -2.421 1.00 30.24 O ATOM 1050 CB LEU A 66 1.336 14.294 -1.838 1.00 24.34 C ATOM 1051 CG LEU A 66 1.513 15.789 -1.568 1.00 70.53 C ATOM 1052 CD1 LEU A 66 2.985 16.167 -1.605 1.00 43.33 C ATOM 1053 CD2 LEU A 66 0.724 16.609 -2.578 1.00 13.21 C ATOM 0 H LEU A 66 0.885 12.654 0.063 1.00 23.42 H new ATOM 0 HA LEU A 66 -0.771 14.512 -1.477 1.00 75.10 H new ATOM 0 HB2 LEU A 66 2.091 13.751 -1.270 1.00 24.34 H new ATOM 0 HB3 LEU A 66 1.537 14.110 -2.893 1.00 24.34 H new ATOM 0 HG LEU A 66 1.128 16.008 -0.572 1.00 70.53 H new ATOM 0 HD11 LEU A 66 3.092 17.234 -1.411 1.00 43.33 H new ATOM 0 HD12 LEU A 66 3.524 15.604 -0.843 1.00 43.33 H new ATOM 0 HD13 LEU A 66 3.396 15.934 -2.587 1.00 43.33 H new ATOM 0 HD21 LEU A 66 0.861 17.670 -2.371 1.00 13.21 H new ATOM 0 HD22 LEU A 66 1.079 16.386 -3.584 1.00 13.21 H new ATOM 0 HD23 LEU A 66 -0.334 16.358 -2.503 1.00 13.21 H new ATOM 1065 N LYS A 67 -1.040 13.205 -3.648 1.00 70.41 N ATOM 1066 CA LYS A 67 -1.481 12.352 -4.746 1.00 15.23 C ATOM 1067 C LYS A 67 -0.288 11.756 -5.485 1.00 52.15 C ATOM 1068 O LYS A 67 0.836 12.250 -5.399 1.00 23.12 O ATOM 1069 CB LYS A 67 -2.352 13.149 -5.719 1.00 53.53 C ATOM 1070 CG LYS A 67 -3.842 12.994 -5.470 1.00 15.45 C ATOM 1071 CD LYS A 67 -4.597 14.276 -5.783 1.00 23.24 C ATOM 1072 CE LYS A 67 -6.050 14.189 -5.342 1.00 41.12 C ATOM 1073 NZ LYS A 67 -6.949 14.962 -6.242 1.00 54.35 N ATOM 0 H LYS A 67 -1.224 14.199 -3.786 1.00 70.41 H new ATOM 0 HA LYS A 67 -2.069 11.536 -4.326 1.00 15.23 H new ATOM 0 HB2 LYS A 67 -2.088 14.204 -5.648 1.00 53.53 H new ATOM 0 HB3 LYS A 67 -2.128 12.832 -6.737 1.00 53.53 H new ATOM 0 HG2 LYS A 67 -4.232 12.182 -6.084 1.00 15.45 H new ATOM 0 HG3 LYS A 67 -4.011 12.716 -4.430 1.00 15.45 H new ATOM 0 HD2 LYS A 67 -4.114 15.115 -5.283 1.00 23.24 H new ATOM 0 HD3 LYS A 67 -4.552 14.474 -6.854 1.00 23.24 H new ATOM 0 HE2 LYS A 67 -6.363 13.145 -5.325 1.00 41.12 H new ATOM 0 HE3 LYS A 67 -6.144 14.566 -4.324 1.00 41.12 H new ATOM 0 HZ1 LYS A 67 -7.930 14.878 -5.908 1.00 54.35 H new ATOM 0 HZ2 LYS A 67 -6.667 15.963 -6.238 1.00 54.35 H new ATOM 0 HZ3 LYS A 67 -6.879 14.586 -7.209 1.00 54.35 H new ATOM 1087 N PRO A 68 -0.536 10.670 -6.232 1.00 72.12 N ATOM 1088 CA PRO A 68 0.505 9.985 -7.003 1.00 63.43 C ATOM 1089 C PRO A 68 0.986 10.812 -8.191 1.00 21.42 C ATOM 1090 O PRO A 68 2.165 10.783 -8.543 1.00 34.35 O ATOM 1091 CB PRO A 68 -0.192 8.710 -7.486 1.00 45.23 C ATOM 1092 CG PRO A 68 -1.640 9.056 -7.510 1.00 53.42 C ATOM 1093 CD PRO A 68 -1.853 10.027 -6.382 1.00 3.23 C ATOM 0 HA PRO A 68 1.398 9.799 -6.406 1.00 63.43 H new ATOM 0 HB2 PRO A 68 0.161 8.416 -8.474 1.00 45.23 H new ATOM 0 HB3 PRO A 68 0.004 7.873 -6.815 1.00 45.23 H new ATOM 0 HG2 PRO A 68 -1.919 9.500 -8.465 1.00 53.42 H new ATOM 0 HG3 PRO A 68 -2.256 8.166 -7.380 1.00 53.42 H new ATOM 0 HD2 PRO A 68 -2.630 10.754 -6.619 1.00 3.23 H new ATOM 0 HD3 PRO A 68 -2.159 9.519 -5.467 1.00 3.23 H new ATOM 1101 N ASN A 69 0.066 11.548 -8.804 1.00 53.53 N ATOM 1102 CA ASN A 69 0.397 12.384 -9.953 1.00 34.10 C ATOM 1103 C ASN A 69 1.065 13.681 -9.508 1.00 14.34 C ATOM 1104 O ASN A 69 1.679 14.385 -10.311 1.00 31.54 O ATOM 1105 CB ASN A 69 -0.864 12.698 -10.762 1.00 23.42 C ATOM 1106 CG ASN A 69 -1.788 11.501 -10.880 1.00 65.30 C ATOM 1107 OD1 ASN A 69 -1.352 10.396 -11.205 1.00 40.11 O ATOM 1108 ND2 ASN A 69 -3.071 11.716 -10.616 1.00 71.10 N ATOM 0 H ASN A 69 -0.915 11.583 -8.525 1.00 53.53 H new ATOM 0 HA ASN A 69 1.096 11.833 -10.582 1.00 34.10 H new ATOM 0 HB2 ASN A 69 -1.399 13.522 -10.290 1.00 23.42 H new ATOM 0 HB3 ASN A 69 -0.579 13.033 -11.759 1.00 23.42 H new ATOM 0 HD21 ASN A 69 -3.740 10.949 -10.679 1.00 71.10 H new ATOM 0 HD22 ASN A 69 -3.388 12.648 -10.350 1.00 71.10 H new ATOM 1115 N THR A 70 0.941 13.993 -8.221 1.00 52.11 N ATOM 1116 CA THR A 70 1.531 15.205 -7.668 1.00 43.43 C ATOM 1117 C THR A 70 2.827 15.563 -8.387 1.00 23.21 C ATOM 1118 O THR A 70 3.749 14.751 -8.468 1.00 70.52 O ATOM 1119 CB THR A 70 1.817 15.055 -6.162 1.00 65.53 C ATOM 1120 OG1 THR A 70 0.588 14.910 -5.442 1.00 63.01 O ATOM 1121 CG2 THR A 70 2.582 16.259 -5.634 1.00 23.55 C ATOM 0 H THR A 70 0.437 13.422 -7.543 1.00 52.11 H new ATOM 0 HA THR A 70 0.805 16.005 -7.814 1.00 43.43 H new ATOM 0 HB THR A 70 2.429 14.165 -6.018 1.00 65.53 H new ATOM 0 HG1 THR A 70 0.538 14.010 -5.058 1.00 63.01 H new ATOM 0 HG21 THR A 70 2.772 16.130 -4.568 1.00 23.55 H new ATOM 0 HG22 THR A 70 3.530 16.349 -6.164 1.00 23.55 H new ATOM 0 HG23 THR A 70 1.992 17.162 -5.791 1.00 23.55 H new ATOM 1129 N LYS A 71 2.893 16.784 -8.907 1.00 74.31 N ATOM 1130 CA LYS A 71 4.077 17.251 -9.618 1.00 31.22 C ATOM 1131 C LYS A 71 4.997 18.033 -8.686 1.00 64.23 C ATOM 1132 O LYS A 71 4.535 18.714 -7.770 1.00 64.32 O ATOM 1133 CB LYS A 71 3.672 18.127 -10.805 1.00 72.14 C ATOM 1134 CG LYS A 71 2.525 17.555 -11.620 1.00 34.30 C ATOM 1135 CD LYS A 71 1.217 18.269 -11.321 1.00 4.32 C ATOM 1136 CE LYS A 71 0.919 19.342 -12.357 1.00 0.32 C ATOM 1137 NZ LYS A 71 -0.544 19.499 -12.587 1.00 42.14 N ATOM 0 H LYS A 71 2.139 17.469 -8.849 1.00 74.31 H new ATOM 0 HA LYS A 71 4.617 16.379 -9.986 1.00 31.22 H new ATOM 0 HB2 LYS A 71 3.389 19.114 -10.438 1.00 72.14 H new ATOM 0 HB3 LYS A 71 4.536 18.265 -11.456 1.00 72.14 H new ATOM 0 HG2 LYS A 71 2.753 17.642 -12.682 1.00 34.30 H new ATOM 0 HG3 LYS A 71 2.418 16.492 -11.403 1.00 34.30 H new ATOM 0 HD2 LYS A 71 0.402 17.545 -11.301 1.00 4.32 H new ATOM 0 HD3 LYS A 71 1.266 18.721 -10.331 1.00 4.32 H new ATOM 0 HE2 LYS A 71 1.339 20.292 -12.027 1.00 0.32 H new ATOM 0 HE3 LYS A 71 1.409 19.086 -13.296 1.00 0.32 H new ATOM 0 HZ1 LYS A 71 -0.706 20.239 -13.299 1.00 42.14 H new ATOM 0 HZ2 LYS A 71 -0.941 18.599 -12.926 1.00 42.14 H new ATOM 0 HZ3 LYS A 71 -1.009 19.768 -11.696 1.00 42.14 H new ATOM 1151 N ILE A 72 6.300 17.932 -8.927 1.00 61.43 N ATOM 1152 CA ILE A 72 7.284 18.632 -8.111 1.00 61.22 C ATOM 1153 C ILE A 72 8.063 19.648 -8.940 1.00 15.12 C ATOM 1154 O ILE A 72 8.617 19.316 -9.987 1.00 21.21 O ATOM 1155 CB ILE A 72 8.276 17.650 -7.459 1.00 51.24 C ATOM 1156 CG1 ILE A 72 7.522 16.576 -6.673 1.00 13.44 C ATOM 1157 CG2 ILE A 72 9.243 18.398 -6.553 1.00 74.32 C ATOM 1158 CD1 ILE A 72 6.613 17.138 -5.601 1.00 45.23 C ATOM 0 H ILE A 72 6.698 17.372 -9.681 1.00 61.43 H new ATOM 0 HA ILE A 72 6.732 19.152 -7.328 1.00 61.22 H new ATOM 0 HB ILE A 72 8.851 17.161 -8.245 1.00 51.24 H new ATOM 0 HG12 ILE A 72 6.928 15.980 -7.366 1.00 13.44 H new ATOM 0 HG13 ILE A 72 8.243 15.902 -6.210 1.00 13.44 H new ATOM 0 HG21 ILE A 72 9.938 17.691 -6.100 1.00 74.32 H new ATOM 0 HG22 ILE A 72 9.800 19.128 -7.140 1.00 74.32 H new ATOM 0 HG23 ILE A 72 8.685 18.911 -5.770 1.00 74.32 H new ATOM 0 HD11 ILE A 72 6.111 16.320 -5.084 1.00 45.23 H new ATOM 0 HD12 ILE A 72 7.204 17.710 -4.886 1.00 45.23 H new ATOM 0 HD13 ILE A 72 5.869 17.789 -6.060 1.00 45.23 H new ATOM 1170 N MET A 73 8.101 20.888 -8.462 1.00 74.24 N ATOM 1171 CA MET A 73 8.814 21.953 -9.158 1.00 21.41 C ATOM 1172 C MET A 73 10.187 22.184 -8.535 1.00 0.12 C ATOM 1173 O MET A 73 10.345 22.118 -7.316 1.00 73.31 O ATOM 1174 CB MET A 73 8.001 23.248 -9.124 1.00 34.22 C ATOM 1175 CG MET A 73 6.644 23.132 -9.800 1.00 64.45 C ATOM 1176 SD MET A 73 5.490 24.410 -9.268 1.00 4.45 S ATOM 1177 CE MET A 73 4.402 24.498 -10.688 1.00 24.24 C ATOM 0 H MET A 73 7.647 21.180 -7.596 1.00 74.24 H new ATOM 0 HA MET A 73 8.951 21.647 -10.195 1.00 21.41 H new ATOM 0 HB2 MET A 73 7.856 23.549 -8.087 1.00 34.22 H new ATOM 0 HB3 MET A 73 8.573 24.039 -9.609 1.00 34.22 H new ATOM 0 HG2 MET A 73 6.775 23.193 -10.880 1.00 64.45 H new ATOM 0 HG3 MET A 73 6.218 22.152 -9.585 1.00 64.45 H new ATOM 0 HE1 MET A 73 3.632 25.248 -10.510 1.00 24.24 H new ATOM 0 HE2 MET A 73 4.978 24.772 -11.572 1.00 24.24 H new ATOM 0 HE3 MET A 73 3.933 23.527 -10.848 1.00 24.24 H new ATOM 1187 N MET A 74 11.177 22.456 -9.379 1.00 31.31 N ATOM 1188 CA MET A 74 12.536 22.698 -8.909 1.00 63.25 C ATOM 1189 C MET A 74 13.154 23.895 -9.626 1.00 33.41 C ATOM 1190 O MET A 74 13.333 23.876 -10.843 1.00 64.22 O ATOM 1191 CB MET A 74 13.403 21.456 -9.127 1.00 74.20 C ATOM 1192 CG MET A 74 12.804 20.187 -8.542 1.00 12.11 C ATOM 1193 SD MET A 74 13.557 18.691 -9.210 1.00 51.31 S ATOM 1194 CE MET A 74 13.621 17.662 -7.746 1.00 25.40 C ATOM 0 H MET A 74 11.064 22.514 -10.391 1.00 31.31 H new ATOM 0 HA MET A 74 12.491 22.918 -7.842 1.00 63.25 H new ATOM 0 HB2 MET A 74 13.559 21.315 -10.197 1.00 74.20 H new ATOM 0 HB3 MET A 74 14.383 21.624 -8.681 1.00 74.20 H new ATOM 0 HG2 MET A 74 12.926 20.198 -7.459 1.00 12.11 H new ATOM 0 HG3 MET A 74 11.733 20.170 -8.742 1.00 12.11 H new ATOM 0 HE1 MET A 74 14.277 16.811 -7.928 1.00 25.40 H new ATOM 0 HE2 MET A 74 14.006 18.244 -6.909 1.00 25.40 H new ATOM 0 HE3 MET A 74 12.619 17.304 -7.509 1.00 25.40 H new ATOM 1204 N MET A 75 13.476 24.934 -8.863 1.00 31.23 N ATOM 1205 CA MET A 75 14.074 26.139 -9.426 1.00 21.32 C ATOM 1206 C MET A 75 15.557 26.222 -9.080 1.00 25.10 C ATOM 1207 O MET A 75 15.937 26.152 -7.912 1.00 22.11 O ATOM 1208 CB MET A 75 13.348 27.383 -8.911 1.00 31.11 C ATOM 1209 CG MET A 75 11.879 27.433 -9.299 1.00 10.25 C ATOM 1210 SD MET A 75 11.535 28.678 -10.556 1.00 52.35 S ATOM 1211 CE MET A 75 10.460 27.760 -11.656 1.00 55.31 C ATOM 0 H MET A 75 13.333 24.966 -7.854 1.00 31.23 H new ATOM 0 HA MET A 75 13.974 26.092 -10.510 1.00 21.32 H new ATOM 0 HB2 MET A 75 13.430 27.418 -7.825 1.00 31.11 H new ATOM 0 HB3 MET A 75 13.848 28.271 -9.297 1.00 31.11 H new ATOM 0 HG2 MET A 75 11.571 26.455 -9.668 1.00 10.25 H new ATOM 0 HG3 MET A 75 11.280 27.642 -8.413 1.00 10.25 H new ATOM 0 HE1 MET A 75 10.161 28.398 -12.488 1.00 55.31 H new ATOM 0 HE2 MET A 75 10.990 26.888 -12.039 1.00 55.31 H new ATOM 0 HE3 MET A 75 9.574 27.435 -11.111 1.00 55.31 H new ATOM 1221 N GLY A 76 16.392 26.371 -10.104 1.00 41.32 N ATOM 1222 CA GLY A 76 17.824 26.461 -9.887 1.00 62.12 C ATOM 1223 C GLY A 76 18.621 26.150 -11.139 1.00 31.34 C ATOM 1224 O GLY A 76 18.124 26.303 -12.255 1.00 2.50 O ATOM 0 H GLY A 76 16.102 26.431 -11.080 1.00 41.32 H new ATOM 0 HA2 GLY A 76 18.074 27.464 -9.541 1.00 62.12 H new ATOM 0 HA3 GLY A 76 18.113 25.770 -9.095 1.00 62.12 H new ATOM 1228 N THR A 77 19.863 25.712 -10.954 1.00 74.43 N ATOM 1229 CA THR A 77 20.731 25.381 -12.077 1.00 71.20 C ATOM 1230 C THR A 77 21.447 24.055 -11.847 1.00 35.24 C ATOM 1231 O THR A 77 21.759 23.696 -10.711 1.00 15.21 O ATOM 1232 CB THR A 77 21.780 26.482 -12.319 1.00 42.22 C ATOM 1233 OG1 THR A 77 22.725 26.050 -13.304 1.00 45.13 O ATOM 1234 CG2 THR A 77 22.508 26.830 -11.029 1.00 74.41 C ATOM 0 H THR A 77 20.290 25.578 -10.037 1.00 74.43 H new ATOM 0 HA THR A 77 20.092 25.298 -12.956 1.00 71.20 H new ATOM 0 HB THR A 77 21.263 27.372 -12.677 1.00 42.22 H new ATOM 0 HG1 THR A 77 23.388 26.756 -13.453 1.00 45.13 H new ATOM 0 HG21 THR A 77 23.244 27.610 -11.225 1.00 74.41 H new ATOM 0 HG22 THR A 77 21.790 27.186 -10.291 1.00 74.41 H new ATOM 0 HG23 THR A 77 23.013 25.943 -10.645 1.00 74.41 H new