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 Set 1.1: A 36 THR OG1 : rot -79:sc= -0.0427 USER MOD Set 1.2: A 43 GLN : amide:sc= -5.85! C(o=-6.5!,f=-6.2!) USER MOD Set 1.3: A 74 MET CE :methyl 152:sc= -0.604 (180deg=-0.00893) USER MOD Set 2.1: A 12 GLN : amide:sc= -0.499 X(o=-1,f=-1.5) USER MOD Set 2.2: A 14 TYR OH : rot 30:sc= -0.545 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 71 LYS NZ :NH3+ 176:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0238 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= -1.73 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= -2.71 (180deg=-3.67!) USER MOD Single : A 30 GLN : amide:sc= -0.806 K(o=-0.81,f=-3!) USER MOD Single : A 33 LYS NZ :NH3+ 164:sc= -3.23! (180deg=-4.75!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.0493 (180deg=-0.311) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -2.71! C(o=-2.7!,f=-7.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 139:sc= -0.225 (180deg=-2.14!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.18) USER MOD Single : A 70 THR OG1 : rot -170:sc= -0.0595 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) 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 2.523 -1.661 -3.035 1.00 0.00 N ATOM 19 CA ALA A 2 2.823 -2.978 -3.581 1.00 0.00 C ATOM 20 C ALA A 2 4.279 -3.071 -4.023 1.00 0.00 C ATOM 21 O ALA A 2 4.816 -2.141 -4.627 1.00 0.00 O ATOM 22 CB ALA A 2 1.895 -3.290 -4.746 1.00 0.00 C ATOM 0 HA ALA A 2 2.662 -3.715 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.130 -4.277 -5.144 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.861 -3.275 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.028 -2.542 -5.528 1.00 0.00 H new ATOM 28 N LEU A 3 4.914 -4.197 -3.719 1.00 0.00 N ATOM 29 CA LEU A 3 6.310 -4.411 -4.085 1.00 0.00 C ATOM 30 C LEU A 3 6.433 -5.485 -5.162 1.00 0.00 C ATOM 31 O LEU A 3 6.027 -6.632 -4.977 1.00 0.00 O ATOM 32 CB LEU A 3 7.125 -4.811 -2.854 1.00 0.00 C ATOM 33 CG LEU A 3 7.642 -3.662 -1.988 1.00 0.00 C ATOM 34 CD1 LEU A 3 8.795 -2.950 -2.678 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.519 -2.683 -1.677 1.00 0.00 C ATOM 0 H LEU A 3 4.485 -4.976 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 3 6.702 -3.476 -4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.510 -5.460 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.979 -5.402 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 3 8.008 -4.076 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.150 -2.135 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.608 -3.656 -2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.455 -2.548 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.904 -1.871 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.124 -2.275 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.723 -3.200 -1.141 1.00 0.00 H new ATOM 47 N PRO A 4 7.007 -5.106 -6.313 1.00 0.00 N ATOM 48 CA PRO A 4 7.199 -6.022 -7.441 1.00 0.00 C ATOM 49 C PRO A 4 8.254 -7.085 -7.151 1.00 0.00 C ATOM 50 O PRO A 4 9.121 -6.896 -6.298 1.00 0.00 O ATOM 51 CB PRO A 4 7.666 -5.101 -8.571 1.00 0.00 C ATOM 52 CG PRO A 4 8.287 -3.937 -7.879 1.00 0.00 C ATOM 53 CD PRO A 4 7.514 -3.754 -6.602 1.00 0.00 C ATOM 0 HA PRO A 4 6.291 -6.578 -7.673 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.382 -5.604 -9.221 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.831 -4.789 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.341 -4.122 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.235 -3.042 -8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.149 -3.383 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.701 -3.038 -6.723 1.00 0.00 H new ATOM 61 N ILE A 5 8.173 -8.203 -7.866 1.00 0.00 N ATOM 62 CA ILE A 5 9.121 -9.294 -7.685 1.00 0.00 C ATOM 63 C ILE A 5 9.365 -10.033 -8.997 1.00 0.00 C ATOM 64 O ILE A 5 8.422 -10.439 -9.677 1.00 0.00 O ATOM 65 CB ILE A 5 8.628 -10.300 -6.628 1.00 0.00 C ATOM 66 CG1 ILE A 5 9.021 -9.830 -5.225 1.00 0.00 C ATOM 67 CG2 ILE A 5 9.195 -11.683 -6.907 1.00 0.00 C ATOM 68 CD1 ILE A 5 9.891 -10.817 -4.479 1.00 0.00 C ATOM 0 H ILE A 5 7.461 -8.376 -8.575 1.00 0.00 H new ATOM 0 HA ILE A 5 10.054 -8.847 -7.342 1.00 0.00 H new ATOM 0 HB ILE A 5 7.541 -10.358 -6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.549 -8.880 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.116 -9.645 -4.646 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.837 -12.382 -6.151 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.871 -12.017 -7.893 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.284 -11.643 -6.877 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.131 -10.418 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.358 -11.761 -4.369 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.813 -10.984 -5.037 1.00 0.00 H new ATOM 80 N ILE A 6 10.636 -10.205 -9.345 1.00 0.00 N ATOM 81 CA ILE A 6 11.004 -10.897 -10.574 1.00 0.00 C ATOM 82 C ILE A 6 11.299 -12.370 -10.308 1.00 0.00 C ATOM 83 O ILE A 6 11.996 -12.712 -9.353 1.00 0.00 O ATOM 84 CB ILE A 6 12.234 -10.251 -11.238 1.00 0.00 C ATOM 85 CG1 ILE A 6 11.879 -8.864 -11.778 1.00 0.00 C ATOM 86 CG2 ILE A 6 12.763 -11.140 -12.353 1.00 0.00 C ATOM 87 CD1 ILE A 6 13.011 -7.866 -11.673 1.00 0.00 C ATOM 0 H ILE A 6 11.428 -9.875 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 6 10.152 -10.815 -11.249 1.00 0.00 H new ATOM 0 HB ILE A 6 13.017 -10.139 -10.488 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.582 -8.955 -12.823 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.016 -8.481 -11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 6 13.632 -10.669 -12.812 1.00 0.00 H new ATOM 0 HG22 ILE A 6 13.049 -12.108 -11.942 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.987 -11.281 -13.105 1.00 0.00 H new ATOM 0 HD11 ILE A 6 12.688 -6.906 -12.074 1.00 0.00 H new ATOM 0 HD12 ILE A 6 13.294 -7.745 -10.627 1.00 0.00 H new ATOM 0 HD13 ILE A 6 13.868 -8.227 -12.241 1.00 0.00 H new ATOM 99 N VAL A 7 10.764 -13.238 -11.161 1.00 0.00 N ATOM 100 CA VAL A 7 10.972 -14.674 -11.021 1.00 0.00 C ATOM 101 C VAL A 7 11.711 -15.243 -12.227 1.00 0.00 C ATOM 102 O VAL A 7 11.515 -14.796 -13.357 1.00 0.00 O ATOM 103 CB VAL A 7 9.636 -15.421 -10.852 1.00 0.00 C ATOM 104 CG1 VAL A 7 9.880 -16.895 -10.567 1.00 0.00 C ATOM 105 CG2 VAL A 7 8.806 -14.785 -9.747 1.00 0.00 C ATOM 0 H VAL A 7 10.183 -12.971 -11.956 1.00 0.00 H new ATOM 0 HA VAL A 7 11.577 -14.820 -10.126 1.00 0.00 H new ATOM 0 HB VAL A 7 9.077 -15.345 -11.784 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.924 -17.406 -10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.431 -17.340 -11.396 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.460 -16.997 -9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 7 7.865 -15.326 -9.641 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.357 -14.828 -8.807 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.600 -13.745 -9.999 1.00 0.00 H new ATOM 115 N LYS A 8 12.562 -16.233 -11.979 1.00 0.00 N ATOM 116 CA LYS A 8 13.331 -16.866 -13.044 1.00 0.00 C ATOM 117 C LYS A 8 13.101 -18.374 -13.058 1.00 0.00 C ATOM 118 O LYS A 8 13.434 -19.071 -12.099 1.00 0.00 O ATOM 119 CB LYS A 8 14.822 -16.568 -12.871 1.00 0.00 C ATOM 120 CG LYS A 8 15.571 -16.431 -14.185 1.00 0.00 C ATOM 121 CD LYS A 8 16.931 -15.783 -13.987 1.00 0.00 C ATOM 122 CE LYS A 8 16.817 -14.271 -13.876 1.00 0.00 C ATOM 123 NZ LYS A 8 18.096 -13.591 -14.222 1.00 0.00 N ATOM 0 H LYS A 8 12.737 -16.614 -11.049 1.00 0.00 H new ATOM 0 HA LYS A 8 12.993 -16.456 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.936 -15.647 -12.300 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.278 -17.365 -12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.698 -17.415 -14.637 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.981 -15.835 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 8 17.397 -16.181 -13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.582 -16.039 -14.822 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.027 -13.917 -14.538 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.526 -14.002 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.977 -12.562 -14.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.845 -13.909 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 18.361 -13.826 -15.200 1.00 0.00 H new ATOM 137 N TRP A 9 12.533 -18.871 -14.151 1.00 0.00 N ATOM 138 CA TRP A 9 12.260 -20.297 -14.289 1.00 0.00 C ATOM 139 C TRP A 9 12.419 -20.743 -15.739 1.00 0.00 C ATOM 140 O TRP A 9 11.851 -20.141 -16.649 1.00 0.00 O ATOM 141 CB TRP A 9 10.849 -20.618 -13.795 1.00 0.00 C ATOM 142 CG TRP A 9 10.426 -22.027 -14.081 1.00 0.00 C ATOM 143 CD1 TRP A 9 9.266 -22.429 -14.679 1.00 0.00 C ATOM 144 CD2 TRP A 9 11.158 -23.220 -13.778 1.00 0.00 C ATOM 145 NE1 TRP A 9 9.233 -23.800 -14.766 1.00 0.00 N ATOM 146 CE2 TRP A 9 10.382 -24.309 -14.221 1.00 0.00 C ATOM 147 CE3 TRP A 9 12.394 -23.473 -13.178 1.00 0.00 C ATOM 148 CZ2 TRP A 9 10.803 -25.628 -14.081 1.00 0.00 C ATOM 149 CZ3 TRP A 9 12.811 -24.784 -13.039 1.00 0.00 C ATOM 150 CH2 TRP A 9 12.018 -25.848 -13.490 1.00 0.00 C ATOM 0 H TRP A 9 12.253 -18.308 -14.954 1.00 0.00 H new ATOM 0 HA TRP A 9 12.982 -20.841 -13.680 1.00 0.00 H new ATOM 0 HB2 TRP A 9 10.799 -20.442 -12.720 1.00 0.00 H new ATOM 0 HB3 TRP A 9 10.143 -19.932 -14.263 1.00 0.00 H new ATOM 0 HD1 TRP A 9 8.489 -21.767 -15.032 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.475 -24.350 -15.171 1.00 0.00 H new ATOM 0 HE3 TRP A 9 13.013 -22.659 -12.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 10.193 -26.449 -14.426 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 13.764 -24.992 -12.575 1.00 0.00 H new ATOM 0 HH2 TRP A 9 12.372 -26.861 -13.369 1.00 0.00 H new ATOM 161 N GLY A 10 13.195 -21.802 -15.946 1.00 0.00 N ATOM 162 CA GLY A 10 13.414 -22.311 -17.288 1.00 0.00 C ATOM 163 C GLY A 10 13.962 -21.254 -18.226 1.00 0.00 C ATOM 164 O GLY A 10 13.725 -21.301 -19.432 1.00 0.00 O ATOM 0 H GLY A 10 13.676 -22.317 -15.209 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.108 -23.150 -17.246 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.474 -22.694 -17.686 1.00 0.00 H new ATOM 168 N GLY A 11 14.696 -20.295 -17.670 1.00 0.00 N ATOM 169 CA GLY A 11 15.267 -19.234 -18.480 1.00 0.00 C ATOM 170 C GLY A 11 14.278 -18.117 -18.752 1.00 0.00 C ATOM 171 O GLY A 11 14.626 -17.109 -19.366 1.00 0.00 O ATOM 0 H GLY A 11 14.905 -20.234 -16.674 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.142 -18.826 -17.974 1.00 0.00 H new ATOM 0 HA3 GLY A 11 15.611 -19.649 -19.427 1.00 0.00 H new ATOM 175 N GLN A 12 13.043 -18.298 -18.297 1.00 0.00 N ATOM 176 CA GLN A 12 12.001 -17.298 -18.498 1.00 0.00 C ATOM 177 C GLN A 12 12.014 -16.266 -17.375 1.00 0.00 C ATOM 178 O GLN A 12 12.648 -16.469 -16.341 1.00 0.00 O ATOM 179 CB GLN A 12 10.629 -17.969 -18.575 1.00 0.00 C ATOM 180 CG GLN A 12 10.488 -18.936 -19.740 1.00 0.00 C ATOM 181 CD GLN A 12 9.341 -19.909 -19.555 1.00 0.00 C ATOM 182 OE1 GLN A 12 8.467 -20.027 -20.415 1.00 0.00 O ATOM 183 NE2 GLN A 12 9.337 -20.614 -18.430 1.00 0.00 N ATOM 0 H GLN A 12 12.739 -19.127 -17.787 1.00 0.00 H new ATOM 0 HA GLN A 12 12.200 -16.786 -19.439 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.443 -18.505 -17.644 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.862 -17.199 -18.658 1.00 0.00 H new ATOM 0 HG2 GLN A 12 10.335 -18.371 -20.660 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.417 -19.494 -19.859 1.00 0.00 H new ATOM 0 HE21 GLN A 12 10.081 -20.485 -17.744 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.590 -21.285 -18.251 1.00 0.00 H new ATOM 192 N GLU A 13 11.308 -15.160 -17.587 1.00 0.00 N ATOM 193 CA GLU A 13 11.240 -14.096 -16.593 1.00 0.00 C ATOM 194 C GLU A 13 9.797 -13.653 -16.368 1.00 0.00 C ATOM 195 O GLU A 13 9.087 -13.310 -17.313 1.00 0.00 O ATOM 196 CB GLU A 13 12.089 -12.901 -17.032 1.00 0.00 C ATOM 197 CG GLU A 13 13.444 -12.832 -16.347 1.00 0.00 C ATOM 198 CD GLU A 13 14.504 -12.184 -17.215 1.00 0.00 C ATOM 199 OE1 GLU A 13 14.489 -10.942 -17.344 1.00 0.00 O ATOM 200 OE2 GLU A 13 15.350 -12.920 -17.765 1.00 0.00 O ATOM 0 H GLU A 13 10.775 -14.978 -18.438 1.00 0.00 H new ATOM 0 HA GLU A 13 11.633 -14.486 -15.654 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.239 -12.949 -18.111 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.541 -11.982 -16.827 1.00 0.00 H new ATOM 0 HG2 GLU A 13 13.349 -12.271 -15.417 1.00 0.00 H new ATOM 0 HG3 GLU A 13 13.764 -13.839 -16.081 1.00 0.00 H new ATOM 207 N TYR A 14 9.371 -13.663 -15.110 1.00 0.00 N ATOM 208 CA TYR A 14 8.012 -13.266 -14.760 1.00 0.00 C ATOM 209 C TYR A 14 8.010 -12.341 -13.547 1.00 0.00 C ATOM 210 O TYR A 14 8.393 -12.740 -12.447 1.00 0.00 O ATOM 211 CB TYR A 14 7.154 -14.500 -14.476 1.00 0.00 C ATOM 212 CG TYR A 14 7.147 -15.506 -15.605 1.00 0.00 C ATOM 213 CD1 TYR A 14 6.272 -15.372 -16.675 1.00 0.00 C ATOM 214 CD2 TYR A 14 8.018 -16.589 -15.602 1.00 0.00 C ATOM 215 CE1 TYR A 14 6.261 -16.289 -17.708 1.00 0.00 C ATOM 216 CE2 TYR A 14 8.015 -17.510 -16.631 1.00 0.00 C ATOM 217 CZ TYR A 14 7.135 -17.356 -17.682 1.00 0.00 C ATOM 218 OH TYR A 14 7.129 -18.270 -18.710 1.00 0.00 O ATOM 0 H TYR A 14 9.947 -13.942 -14.316 1.00 0.00 H new ATOM 0 HA TYR A 14 7.589 -12.726 -15.607 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.519 -14.985 -13.571 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.130 -14.182 -14.277 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.588 -14.536 -16.700 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.709 -16.712 -14.781 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.572 -16.171 -18.531 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.698 -18.346 -16.613 1.00 0.00 H new ATOM 0 HH TYR A 14 6.855 -17.827 -19.540 1.00 0.00 H new ATOM 228 N SER A 15 7.576 -11.102 -13.756 1.00 0.00 N ATOM 229 CA SER A 15 7.527 -10.118 -12.681 1.00 0.00 C ATOM 230 C SER A 15 6.144 -10.087 -12.036 1.00 0.00 C ATOM 231 O SER A 15 5.151 -10.474 -12.651 1.00 0.00 O ATOM 232 CB SER A 15 7.883 -8.730 -13.215 1.00 0.00 C ATOM 233 OG SER A 15 7.290 -8.503 -14.482 1.00 0.00 O ATOM 0 H SER A 15 7.253 -10.756 -14.660 1.00 0.00 H new ATOM 0 HA SER A 15 8.256 -10.407 -11.924 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.547 -7.969 -12.511 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.966 -8.634 -13.294 1.00 0.00 H new ATOM 0 HG SER A 15 7.531 -7.608 -14.801 1.00 0.00 H new ATOM 239 N VAL A 16 6.089 -9.624 -10.791 1.00 0.00 N ATOM 240 CA VAL A 16 4.830 -9.541 -10.061 1.00 0.00 C ATOM 241 C VAL A 16 4.445 -8.090 -9.793 1.00 0.00 C ATOM 242 O VAL A 16 5.307 -7.222 -9.657 1.00 0.00 O ATOM 243 CB VAL A 16 4.907 -10.296 -8.721 1.00 0.00 C ATOM 244 CG1 VAL A 16 4.953 -9.317 -7.558 1.00 0.00 C ATOM 245 CG2 VAL A 16 3.730 -11.250 -8.579 1.00 0.00 C ATOM 0 H VAL A 16 6.902 -9.301 -10.267 1.00 0.00 H new ATOM 0 HA VAL A 16 4.069 -10.006 -10.688 1.00 0.00 H new ATOM 0 HB VAL A 16 5.825 -10.883 -8.707 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.007 -9.869 -6.620 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.831 -8.678 -7.655 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.054 -8.701 -7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.800 -11.775 -7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.798 -10.686 -8.614 1.00 0.00 H new ATOM 0 HG23 VAL A 16 3.747 -11.973 -9.394 1.00 0.00 H new ATOM 255 N THR A 17 3.142 -7.834 -9.718 1.00 0.00 N ATOM 256 CA THR A 17 2.642 -6.488 -9.467 1.00 0.00 C ATOM 257 C THR A 17 1.235 -6.525 -8.882 1.00 0.00 C ATOM 258 O THR A 17 0.331 -5.841 -9.365 1.00 0.00 O ATOM 259 CB THR A 17 2.627 -5.645 -10.756 1.00 0.00 C ATOM 260 OG1 THR A 17 2.221 -6.453 -11.866 1.00 0.00 O ATOM 261 CG2 THR A 17 4.001 -5.051 -11.030 1.00 0.00 C ATOM 0 H THR A 17 2.415 -8.541 -9.827 1.00 0.00 H new ATOM 0 HA THR A 17 3.320 -6.028 -8.748 1.00 0.00 H new ATOM 0 HB THR A 17 1.916 -4.830 -10.622 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.213 -5.909 -12.681 1.00 0.00 H new ATOM 0 HG21 THR A 17 3.966 -4.460 -11.945 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.294 -4.413 -10.197 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.728 -5.855 -11.145 1.00 0.00 H new ATOM 269 N THR A 18 1.054 -7.328 -7.838 1.00 0.00 N ATOM 270 CA THR A 18 -0.244 -7.455 -7.187 1.00 0.00 C ATOM 271 C THR A 18 -0.113 -7.336 -5.673 1.00 0.00 C ATOM 272 O THR A 18 -0.986 -6.778 -5.006 1.00 0.00 O ATOM 273 CB THR A 18 -0.915 -8.799 -7.529 1.00 0.00 C ATOM 274 OG1 THR A 18 -2.005 -9.044 -6.632 1.00 0.00 O ATOM 275 CG2 THR A 18 0.086 -9.941 -7.442 1.00 0.00 C ATOM 0 H THR A 18 1.790 -7.900 -7.425 1.00 0.00 H new ATOM 0 HA THR A 18 -0.866 -6.642 -7.560 1.00 0.00 H new ATOM 0 HB THR A 18 -1.291 -8.743 -8.551 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.428 -9.899 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.411 -10.880 -7.688 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.900 -9.766 -8.146 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.487 -9.997 -6.430 1.00 0.00 H new ATOM 283 N LEU A 19 0.981 -7.862 -5.135 1.00 0.00 N ATOM 284 CA LEU A 19 1.227 -7.813 -3.698 1.00 0.00 C ATOM 285 C LEU A 19 2.632 -7.300 -3.403 1.00 0.00 C ATOM 286 O LEU A 19 3.323 -6.804 -4.293 1.00 0.00 O ATOM 287 CB LEU A 19 1.038 -9.201 -3.081 1.00 0.00 C ATOM 288 CG LEU A 19 2.049 -10.267 -3.505 1.00 0.00 C ATOM 289 CD1 LEU A 19 2.252 -11.282 -2.391 1.00 0.00 C ATOM 290 CD2 LEU A 19 1.593 -10.957 -4.782 1.00 0.00 C ATOM 0 H LEU A 19 1.712 -8.328 -5.672 1.00 0.00 H new ATOM 0 HA LEU A 19 0.508 -7.124 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.077 -9.103 -1.996 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.039 -9.556 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 19 3.003 -9.778 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.975 -12.033 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.625 -10.775 -1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.303 -11.766 -2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.325 -11.712 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.627 -11.433 -4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.500 -10.221 -5.580 1.00 0.00 H new ATOM 302 N SER A 20 3.051 -7.424 -2.147 1.00 0.00 N ATOM 303 CA SER A 20 4.374 -6.972 -1.734 1.00 0.00 C ATOM 304 C SER A 20 5.179 -8.121 -1.135 1.00 0.00 C ATOM 305 O SER A 20 4.614 -9.094 -0.636 1.00 0.00 O ATOM 306 CB SER A 20 4.253 -5.835 -0.717 1.00 0.00 C ATOM 307 OG SER A 20 2.896 -5.573 -0.405 1.00 0.00 O ATOM 0 H SER A 20 2.493 -7.834 -1.398 1.00 0.00 H new ATOM 0 HA SER A 20 4.898 -6.606 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.795 -6.097 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.718 -4.934 -1.117 1.00 0.00 H new ATOM 0 HG SER A 20 2.845 -4.844 0.248 1.00 0.00 H new ATOM 313 N GLU A 21 6.502 -8.000 -1.189 1.00 0.00 N ATOM 314 CA GLU A 21 7.384 -9.030 -0.653 1.00 0.00 C ATOM 315 C GLU A 21 7.118 -9.255 0.833 1.00 0.00 C ATOM 316 O GLU A 21 7.429 -10.315 1.376 1.00 0.00 O ATOM 317 CB GLU A 21 8.848 -8.639 -0.866 1.00 0.00 C ATOM 318 CG GLU A 21 9.293 -7.460 -0.016 1.00 0.00 C ATOM 319 CD GLU A 21 10.801 -7.375 0.120 1.00 0.00 C ATOM 320 OE1 GLU A 21 11.498 -8.227 -0.471 1.00 0.00 O ATOM 321 OE2 GLU A 21 11.284 -6.458 0.816 1.00 0.00 O ATOM 0 H GLU A 21 6.986 -7.200 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 21 7.181 -9.959 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.481 -9.497 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.001 -8.396 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.919 -6.537 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.847 -7.542 0.975 1.00 0.00 H new ATOM 328 N ASP A 22 6.540 -8.251 1.483 1.00 0.00 N ATOM 329 CA ASP A 22 6.231 -8.339 2.906 1.00 0.00 C ATOM 330 C ASP A 22 4.877 -9.007 3.127 1.00 0.00 C ATOM 331 O ASP A 22 4.385 -9.077 4.253 1.00 0.00 O ATOM 332 CB ASP A 22 6.235 -6.946 3.537 1.00 0.00 C ATOM 333 CG ASP A 22 7.637 -6.447 3.829 1.00 0.00 C ATOM 334 OD1 ASP A 22 8.598 -7.020 3.274 1.00 0.00 O ATOM 335 OD2 ASP A 22 7.772 -5.484 4.612 1.00 0.00 O ATOM 0 H ASP A 22 6.276 -7.367 1.048 1.00 0.00 H new ATOM 0 HA ASP A 22 6.999 -8.948 3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.735 -6.246 2.868 1.00 0.00 H new ATOM 0 HB3 ASP A 22 5.660 -6.968 4.463 1.00 0.00 H new ATOM 340 N ASP A 23 4.280 -9.494 2.045 1.00 0.00 N ATOM 341 CA ASP A 23 2.983 -10.157 2.121 1.00 0.00 C ATOM 342 C ASP A 23 3.136 -11.600 2.589 1.00 0.00 C ATOM 343 O ASP A 23 2.828 -11.929 3.735 1.00 0.00 O ATOM 344 CB ASP A 23 2.288 -10.120 0.759 1.00 0.00 C ATOM 345 CG ASP A 23 0.802 -10.406 0.859 1.00 0.00 C ATOM 346 OD1 ASP A 23 0.411 -11.220 1.722 1.00 0.00 O ATOM 347 OD2 ASP A 23 0.031 -9.814 0.076 1.00 0.00 O ATOM 0 H ASP A 23 4.673 -9.442 1.105 1.00 0.00 H new ATOM 0 HA ASP A 23 2.371 -9.622 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.437 -9.140 0.305 1.00 0.00 H new ATOM 0 HB3 ASP A 23 2.752 -10.852 0.098 1.00 0.00 H new ATOM 352 N THR A 24 3.614 -12.460 1.695 1.00 0.00 N ATOM 353 CA THR A 24 3.807 -13.868 2.015 1.00 0.00 C ATOM 354 C THR A 24 4.281 -14.650 0.796 1.00 0.00 C ATOM 355 O THR A 24 3.942 -14.315 -0.339 1.00 0.00 O ATOM 356 CB THR A 24 2.509 -14.506 2.546 1.00 0.00 C ATOM 357 OG1 THR A 24 1.391 -13.663 2.247 1.00 0.00 O ATOM 358 CG2 THR A 24 2.592 -14.732 4.048 1.00 0.00 C ATOM 0 H THR A 24 3.875 -12.205 0.742 1.00 0.00 H new ATOM 0 HA THR A 24 4.571 -13.913 2.791 1.00 0.00 H new ATOM 0 HB THR A 24 2.378 -15.471 2.056 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.570 -14.076 2.587 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.664 -15.183 4.400 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.426 -15.397 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.745 -13.778 4.552 1.00 0.00 H new ATOM 366 N VAL A 25 5.068 -15.694 1.037 1.00 0.00 N ATOM 367 CA VAL A 25 5.588 -16.525 -0.042 1.00 0.00 C ATOM 368 C VAL A 25 4.456 -17.134 -0.862 1.00 0.00 C ATOM 369 O VAL A 25 4.427 -17.013 -2.087 1.00 0.00 O ATOM 370 CB VAL A 25 6.481 -17.657 0.501 1.00 0.00 C ATOM 371 CG1 VAL A 25 6.308 -18.919 -0.331 1.00 0.00 C ATOM 372 CG2 VAL A 25 7.938 -17.220 0.526 1.00 0.00 C ATOM 0 H VAL A 25 5.359 -15.984 1.970 1.00 0.00 H new ATOM 0 HA VAL A 25 6.186 -15.875 -0.681 1.00 0.00 H new ATOM 0 HB VAL A 25 6.175 -17.880 1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.946 -19.708 0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.267 -19.240 -0.292 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.586 -18.714 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.555 -18.032 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.260 -16.969 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.045 -16.346 1.168 1.00 0.00 H new ATOM 382 N LEU A 26 3.524 -17.788 -0.178 1.00 0.00 N ATOM 383 CA LEU A 26 2.388 -18.417 -0.842 1.00 0.00 C ATOM 384 C LEU A 26 1.559 -17.383 -1.598 1.00 0.00 C ATOM 385 O LEU A 26 0.844 -17.718 -2.543 1.00 0.00 O ATOM 386 CB LEU A 26 1.510 -19.141 0.181 1.00 0.00 C ATOM 387 CG LEU A 26 0.139 -18.519 0.449 1.00 0.00 C ATOM 388 CD1 LEU A 26 -0.866 -18.972 -0.598 1.00 0.00 C ATOM 389 CD2 LEU A 26 -0.345 -18.877 1.846 1.00 0.00 C ATOM 0 H LEU A 26 3.533 -17.897 0.836 1.00 0.00 H new ATOM 0 HA LEU A 26 2.774 -19.142 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.361 -20.166 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.054 -19.193 1.124 1.00 0.00 H new ATOM 0 HG LEU A 26 0.234 -17.435 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.836 -18.519 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.525 -18.664 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.958 -20.058 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.322 -18.426 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.424 -19.960 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.364 -18.502 2.584 1.00 0.00 H new ATOM 401 N ASP A 27 1.663 -16.127 -1.178 1.00 0.00 N ATOM 402 CA ASP A 27 0.926 -15.044 -1.818 1.00 0.00 C ATOM 403 C ASP A 27 1.551 -14.680 -3.161 1.00 0.00 C ATOM 404 O ASP A 27 0.849 -14.493 -4.155 1.00 0.00 O ATOM 405 CB ASP A 27 0.891 -13.815 -0.908 1.00 0.00 C ATOM 406 CG ASP A 27 -0.181 -12.824 -1.315 1.00 0.00 C ATOM 407 OD1 ASP A 27 -0.339 -12.586 -2.530 1.00 0.00 O ATOM 408 OD2 ASP A 27 -0.863 -12.285 -0.417 1.00 0.00 O ATOM 0 H ASP A 27 2.250 -15.834 -0.397 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.094 -15.386 -1.993 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.717 -14.133 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.863 -13.323 -0.929 1.00 0.00 H new ATOM 413 N LEU A 28 2.876 -14.580 -3.183 1.00 0.00 N ATOM 414 CA LEU A 28 3.597 -14.237 -4.404 1.00 0.00 C ATOM 415 C LEU A 28 3.815 -15.472 -5.272 1.00 0.00 C ATOM 416 O LEU A 28 3.505 -15.469 -6.464 1.00 0.00 O ATOM 417 CB LEU A 28 4.943 -13.596 -4.062 1.00 0.00 C ATOM 418 CG LEU A 28 5.418 -12.489 -5.004 1.00 0.00 C ATOM 419 CD1 LEU A 28 6.243 -11.460 -4.245 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.222 -13.076 -6.155 1.00 0.00 C ATOM 0 H LEU A 28 3.472 -14.732 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 28 2.994 -13.523 -4.965 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.882 -13.186 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.701 -14.379 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 28 4.542 -11.989 -5.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.572 -10.680 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.635 -11.016 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.113 -11.946 -3.803 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.552 -12.274 -6.815 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.092 -13.602 -5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.599 -13.774 -6.715 1.00 0.00 H new ATOM 432 N LYS A 29 4.350 -16.527 -4.667 1.00 0.00 N ATOM 433 CA LYS A 29 4.607 -17.771 -5.383 1.00 0.00 C ATOM 434 C LYS A 29 3.370 -18.221 -6.154 1.00 0.00 C ATOM 435 O LYS A 29 3.462 -18.612 -7.317 1.00 0.00 O ATOM 436 CB LYS A 29 5.037 -18.867 -4.405 1.00 0.00 C ATOM 437 CG LYS A 29 6.544 -19.019 -4.287 1.00 0.00 C ATOM 438 CD LYS A 29 7.176 -17.810 -3.618 1.00 0.00 C ATOM 439 CE LYS A 29 7.531 -16.734 -4.633 1.00 0.00 C ATOM 440 NZ LYS A 29 8.899 -16.190 -4.409 1.00 0.00 N ATOM 0 H LYS A 29 4.614 -16.545 -3.682 1.00 0.00 H new ATOM 0 HA LYS A 29 5.412 -17.591 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.624 -18.646 -3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.608 -19.817 -4.725 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.776 -19.916 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.976 -19.154 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.488 -17.401 -2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.074 -18.117 -3.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.465 -17.148 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.804 -15.924 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.303 -15.883 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.848 -15.379 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.502 -16.928 -3.993 1.00 0.00 H new ATOM 454 N GLN A 30 2.215 -18.160 -5.499 1.00 0.00 N ATOM 455 CA GLN A 30 0.961 -18.561 -6.124 1.00 0.00 C ATOM 456 C GLN A 30 0.707 -17.760 -7.397 1.00 0.00 C ATOM 457 O GLN A 30 0.217 -18.294 -8.392 1.00 0.00 O ATOM 458 CB GLN A 30 -0.203 -18.373 -5.149 1.00 0.00 C ATOM 459 CG GLN A 30 -0.541 -16.916 -4.879 1.00 0.00 C ATOM 460 CD GLN A 30 -1.650 -16.399 -5.775 1.00 0.00 C ATOM 461 OE1 GLN A 30 -2.091 -17.087 -6.696 1.00 0.00 O ATOM 462 NE2 GLN A 30 -2.107 -15.181 -5.508 1.00 0.00 N ATOM 0 H GLN A 30 2.122 -17.837 -4.536 1.00 0.00 H new ATOM 0 HA GLN A 30 1.037 -19.616 -6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.085 -18.874 -5.548 1.00 0.00 H new ATOM 0 HB3 GLN A 30 0.042 -18.861 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.839 -16.803 -3.837 1.00 0.00 H new ATOM 0 HG3 GLN A 30 0.351 -16.307 -5.023 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.712 -14.646 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.853 -14.780 -6.076 1.00 0.00 H new ATOM 471 N PHE A 31 1.043 -16.475 -7.358 1.00 0.00 N ATOM 472 CA PHE A 31 0.850 -15.599 -8.508 1.00 0.00 C ATOM 473 C PHE A 31 1.760 -16.008 -9.662 1.00 0.00 C ATOM 474 O PHE A 31 1.293 -16.299 -10.764 1.00 0.00 O ATOM 475 CB PHE A 31 1.122 -14.144 -8.120 1.00 0.00 C ATOM 476 CG PHE A 31 0.535 -13.148 -9.078 1.00 0.00 C ATOM 477 CD1 PHE A 31 -0.780 -12.732 -8.945 1.00 0.00 C ATOM 478 CD2 PHE A 31 1.297 -12.627 -10.111 1.00 0.00 C ATOM 479 CE1 PHE A 31 -1.323 -11.815 -9.826 1.00 0.00 C ATOM 480 CE2 PHE A 31 0.759 -11.710 -10.994 1.00 0.00 C ATOM 481 CZ PHE A 31 -0.552 -11.303 -10.851 1.00 0.00 C ATOM 0 H PHE A 31 1.450 -16.017 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.186 -15.693 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.718 -13.960 -7.125 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.199 -13.988 -8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.387 -13.128 -8.145 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.324 -12.941 -10.228 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.350 -11.499 -9.713 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.364 -11.312 -11.795 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.974 -10.586 -11.539 1.00 0.00 H new ATOM 491 N LEU A 32 3.063 -16.028 -9.401 1.00 0.00 N ATOM 492 CA LEU A 32 4.041 -16.401 -10.418 1.00 0.00 C ATOM 493 C LEU A 32 3.866 -17.858 -10.833 1.00 0.00 C ATOM 494 O LEU A 32 4.205 -18.242 -11.953 1.00 0.00 O ATOM 495 CB LEU A 32 5.460 -16.175 -9.895 1.00 0.00 C ATOM 496 CG LEU A 32 5.775 -16.776 -8.525 1.00 0.00 C ATOM 497 CD1 LEU A 32 6.431 -18.140 -8.679 1.00 0.00 C ATOM 498 CD2 LEU A 32 6.668 -15.840 -7.723 1.00 0.00 C ATOM 0 H LEU A 32 3.466 -15.791 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 32 3.878 -15.771 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.162 -16.586 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.642 -15.101 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 32 4.838 -16.905 -7.982 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.648 -18.553 -7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.757 -18.810 -9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.359 -18.036 -9.241 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.881 -16.285 -6.751 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.602 -15.678 -8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.161 -14.886 -7.582 1.00 0.00 H new ATOM 510 N LYS A 33 3.333 -18.667 -9.923 1.00 0.00 N ATOM 511 CA LYS A 33 3.109 -20.082 -10.195 1.00 0.00 C ATOM 512 C LYS A 33 2.240 -20.268 -11.435 1.00 0.00 C ATOM 513 O LYS A 33 2.427 -21.213 -12.201 1.00 0.00 O ATOM 514 CB LYS A 33 2.446 -20.755 -8.990 1.00 0.00 C ATOM 515 CG LYS A 33 1.235 -21.596 -9.354 1.00 0.00 C ATOM 516 CD LYS A 33 1.639 -22.885 -10.049 1.00 0.00 C ATOM 517 CE LYS A 33 0.551 -23.375 -10.992 1.00 0.00 C ATOM 518 NZ LYS A 33 -0.005 -24.688 -10.563 1.00 0.00 N ATOM 0 H LYS A 33 3.048 -18.367 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 33 4.077 -20.548 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.179 -21.387 -8.488 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.144 -19.988 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.669 -21.830 -8.452 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.575 -21.022 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.561 -22.725 -10.608 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.848 -23.652 -9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.251 -22.638 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.957 -23.464 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -0.906 -24.860 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.668 -25.444 -10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.166 -24.678 -9.536 1.00 0.00 H new ATOM 532 N THR A 34 1.291 -19.358 -11.629 1.00 0.00 N ATOM 533 CA THR A 34 0.394 -19.421 -12.776 1.00 0.00 C ATOM 534 C THR A 34 1.122 -19.051 -14.063 1.00 0.00 C ATOM 535 O THR A 34 0.727 -19.468 -15.153 1.00 0.00 O ATOM 536 CB THR A 34 -0.815 -18.483 -12.596 1.00 0.00 C ATOM 537 OG1 THR A 34 -1.902 -18.922 -13.419 1.00 0.00 O ATOM 538 CG2 THR A 34 -0.448 -17.051 -12.953 1.00 0.00 C ATOM 0 H THR A 34 1.124 -18.568 -11.006 1.00 0.00 H new ATOM 0 HA THR A 34 0.040 -20.449 -12.844 1.00 0.00 H new ATOM 0 HB THR A 34 -1.117 -18.513 -11.549 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.667 -18.322 -13.298 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.318 -16.408 -12.818 1.00 0.00 H new ATOM 0 HG22 THR A 34 0.359 -16.710 -12.305 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.122 -17.007 -13.992 1.00 0.00 H new ATOM 546 N LEU A 35 2.186 -18.268 -13.931 1.00 0.00 N ATOM 547 CA LEU A 35 2.971 -17.843 -15.086 1.00 0.00 C ATOM 548 C LEU A 35 4.153 -18.778 -15.315 1.00 0.00 C ATOM 549 O LEU A 35 4.702 -18.846 -16.416 1.00 0.00 O ATOM 550 CB LEU A 35 3.470 -16.410 -14.888 1.00 0.00 C ATOM 551 CG LEU A 35 2.410 -15.376 -14.510 1.00 0.00 C ATOM 552 CD1 LEU A 35 3.025 -13.988 -14.421 1.00 0.00 C ATOM 553 CD2 LEU A 35 1.268 -15.391 -15.517 1.00 0.00 C ATOM 0 H LEU A 35 2.526 -17.914 -13.037 1.00 0.00 H new ATOM 0 HA LEU A 35 2.328 -17.879 -15.965 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.235 -16.417 -14.111 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.954 -16.085 -15.809 1.00 0.00 H new ATOM 0 HG LEU A 35 2.009 -15.637 -13.531 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.255 -13.265 -14.151 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.808 -13.985 -13.662 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.454 -13.717 -15.386 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.522 -14.649 -15.232 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.654 -15.156 -16.509 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.809 -16.379 -15.532 1.00 0.00 H new ATOM 565 N THR A 36 4.541 -19.502 -14.269 1.00 0.00 N ATOM 566 CA THR A 36 5.657 -20.435 -14.357 1.00 0.00 C ATOM 567 C THR A 36 5.164 -21.874 -14.460 1.00 0.00 C ATOM 568 O THR A 36 5.868 -22.746 -14.966 1.00 0.00 O ATOM 569 CB THR A 36 6.590 -20.311 -13.137 1.00 0.00 C ATOM 570 OG1 THR A 36 5.874 -20.628 -11.938 1.00 0.00 O ATOM 571 CG2 THR A 36 7.162 -18.905 -13.035 1.00 0.00 C ATOM 0 H THR A 36 4.098 -19.460 -13.351 1.00 0.00 H new ATOM 0 HA THR A 36 6.213 -20.179 -15.259 1.00 0.00 H new ATOM 0 HB THR A 36 7.414 -21.014 -13.264 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.332 -19.858 -11.667 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.818 -18.841 -12.167 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.731 -18.677 -13.937 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.348 -18.188 -12.929 1.00 0.00 H new ATOM 579 N GLY A 37 3.948 -22.114 -13.978 1.00 0.00 N ATOM 580 CA GLY A 37 3.382 -23.450 -14.027 1.00 0.00 C ATOM 581 C GLY A 37 3.735 -24.274 -12.805 1.00 0.00 C ATOM 582 O GLY A 37 3.037 -25.231 -12.469 1.00 0.00 O ATOM 0 H GLY A 37 3.345 -21.408 -13.555 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.298 -23.379 -14.113 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.740 -23.960 -14.921 1.00 0.00 H new ATOM 586 N VAL A 38 4.825 -23.905 -12.138 1.00 0.00 N ATOM 587 CA VAL A 38 5.270 -24.617 -10.947 1.00 0.00 C ATOM 588 C VAL A 38 4.777 -23.930 -9.679 1.00 0.00 C ATOM 589 O VAL A 38 4.861 -22.708 -9.549 1.00 0.00 O ATOM 590 CB VAL A 38 6.806 -24.722 -10.897 1.00 0.00 C ATOM 591 CG1 VAL A 38 7.239 -25.724 -9.838 1.00 0.00 C ATOM 592 CG2 VAL A 38 7.358 -25.106 -12.262 1.00 0.00 C ATOM 0 H VAL A 38 5.416 -23.117 -12.403 1.00 0.00 H new ATOM 0 HA VAL A 38 4.846 -25.620 -11.001 1.00 0.00 H new ATOM 0 HB VAL A 38 7.211 -23.747 -10.627 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.327 -25.784 -9.818 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.875 -25.402 -8.862 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.826 -26.705 -10.074 1.00 0.00 H new ATOM 0 HG21 VAL A 38 8.444 -25.176 -12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 38 6.947 -26.070 -12.563 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.079 -24.348 -12.994 1.00 0.00 H new ATOM 602 N LEU A 39 4.264 -24.722 -8.744 1.00 0.00 N ATOM 603 CA LEU A 39 3.757 -24.190 -7.484 1.00 0.00 C ATOM 604 C LEU A 39 4.793 -24.341 -6.374 1.00 0.00 C ATOM 605 O LEU A 39 5.728 -25.137 -6.468 1.00 0.00 O ATOM 606 CB LEU A 39 2.463 -24.903 -7.090 1.00 0.00 C ATOM 607 CG LEU A 39 2.334 -26.359 -7.540 1.00 0.00 C ATOM 608 CD1 LEU A 39 2.103 -26.435 -9.042 1.00 0.00 C ATOM 609 CD2 LEU A 39 3.574 -27.149 -7.150 1.00 0.00 C ATOM 0 H LEU A 39 4.188 -25.735 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 39 3.551 -23.129 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.370 -24.870 -6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.623 -24.341 -7.500 1.00 0.00 H new ATOM 0 HG LEU A 39 1.473 -26.800 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.014 -27.478 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.186 -25.904 -9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.944 -25.977 -9.563 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.465 -28.183 -7.478 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.451 -26.708 -7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.696 -27.123 -6.067 1.00 0.00 H new ATOM 621 N PRO A 40 4.622 -23.562 -5.296 1.00 0.00 N ATOM 622 CA PRO A 40 5.531 -23.593 -4.145 1.00 0.00 C ATOM 623 C PRO A 40 5.414 -24.888 -3.349 1.00 0.00 C ATOM 624 O PRO A 40 6.342 -25.277 -2.641 1.00 0.00 O ATOM 625 CB PRO A 40 5.073 -22.402 -3.300 1.00 0.00 C ATOM 626 CG PRO A 40 3.643 -22.204 -3.667 1.00 0.00 C ATOM 627 CD PRO A 40 3.530 -22.591 -5.116 1.00 0.00 C ATOM 0 HA PRO A 40 6.576 -23.540 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.184 -22.606 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.664 -21.512 -3.517 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.992 -22.820 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.341 -21.168 -3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.559 -23.033 -5.339 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.647 -21.729 -5.772 1.00 0.00 H new ATOM 635 N GLU A 41 4.268 -25.551 -3.471 1.00 0.00 N ATOM 636 CA GLU A 41 4.031 -26.803 -2.762 1.00 0.00 C ATOM 637 C GLU A 41 4.977 -27.895 -3.254 1.00 0.00 C ATOM 638 O GLU A 41 5.184 -28.903 -2.578 1.00 0.00 O ATOM 639 CB GLU A 41 2.579 -27.251 -2.943 1.00 0.00 C ATOM 640 CG GLU A 41 2.236 -27.639 -4.371 1.00 0.00 C ATOM 641 CD GLU A 41 0.938 -28.417 -4.469 1.00 0.00 C ATOM 642 OE1 GLU A 41 -0.137 -27.797 -4.330 1.00 0.00 O ATOM 643 OE2 GLU A 41 0.998 -29.645 -4.684 1.00 0.00 O ATOM 0 H GLU A 41 3.490 -25.242 -4.054 1.00 0.00 H new ATOM 0 HA GLU A 41 4.221 -26.632 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.385 -28.100 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.917 -26.446 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.162 -26.738 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.047 -28.239 -4.785 1.00 0.00 H new ATOM 650 N ARG A 42 5.548 -27.686 -4.435 1.00 0.00 N ATOM 651 CA ARG A 42 6.470 -28.652 -5.019 1.00 0.00 C ATOM 652 C ARG A 42 7.918 -28.220 -4.804 1.00 0.00 C ATOM 653 O ARG A 42 8.775 -29.036 -4.465 1.00 0.00 O ATOM 654 CB ARG A 42 6.192 -28.815 -6.515 1.00 0.00 C ATOM 655 CG ARG A 42 5.135 -29.862 -6.827 1.00 0.00 C ATOM 656 CD ARG A 42 5.692 -31.271 -6.702 1.00 0.00 C ATOM 657 NE ARG A 42 5.046 -32.199 -7.627 1.00 0.00 N ATOM 658 CZ ARG A 42 5.504 -33.419 -7.884 1.00 0.00 C ATOM 659 NH1 ARG A 42 6.605 -33.856 -7.289 1.00 0.00 N ATOM 660 NH2 ARG A 42 4.860 -34.205 -8.737 1.00 0.00 N ATOM 0 H ARG A 42 5.388 -26.856 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 42 6.317 -29.610 -4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.873 -27.856 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.119 -29.085 -7.021 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.291 -29.742 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.756 -29.708 -7.837 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.765 -31.255 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.557 -31.625 -5.680 1.00 0.00 H new ATOM 0 HE ARG A 42 4.196 -31.893 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.103 -33.255 -6.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.955 -34.793 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.012 -33.873 -9.196 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.213 -35.142 -8.933 1.00 0.00 H new ATOM 674 N GLN A 43 8.182 -26.933 -5.005 1.00 0.00 N ATOM 675 CA GLN A 43 9.526 -26.394 -4.835 1.00 0.00 C ATOM 676 C GLN A 43 9.483 -25.030 -4.154 1.00 0.00 C ATOM 677 O GLN A 43 8.413 -24.532 -3.805 1.00 0.00 O ATOM 678 CB GLN A 43 10.229 -26.280 -6.189 1.00 0.00 C ATOM 679 CG GLN A 43 9.277 -26.041 -7.349 1.00 0.00 C ATOM 680 CD GLN A 43 9.678 -24.850 -8.197 1.00 0.00 C ATOM 681 OE1 GLN A 43 9.484 -23.699 -7.804 1.00 0.00 O ATOM 682 NE2 GLN A 43 10.243 -25.120 -9.368 1.00 0.00 N ATOM 0 H GLN A 43 7.483 -26.245 -5.286 1.00 0.00 H new ATOM 0 HA GLN A 43 10.087 -27.079 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.950 -25.464 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 43 10.793 -27.194 -6.375 1.00 0.00 H new ATOM 0 HG2 GLN A 43 9.242 -26.933 -7.975 1.00 0.00 H new ATOM 0 HG3 GLN A 43 8.270 -25.884 -6.962 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.385 -26.089 -9.654 1.00 0.00 H new ATOM 0 HE22 GLN A 43 10.535 -24.359 -9.981 1.00 0.00 H new ATOM 691 N LYS A 44 10.654 -24.430 -3.968 1.00 0.00 N ATOM 692 CA LYS A 44 10.752 -23.123 -3.330 1.00 0.00 C ATOM 693 C LYS A 44 11.691 -22.207 -4.108 1.00 0.00 C ATOM 694 O LYS A 44 12.591 -22.673 -4.807 1.00 0.00 O ATOM 695 CB LYS A 44 11.244 -23.271 -1.889 1.00 0.00 C ATOM 696 CG LYS A 44 12.660 -23.809 -1.782 1.00 0.00 C ATOM 697 CD LYS A 44 12.682 -25.207 -1.186 1.00 0.00 C ATOM 698 CE LYS A 44 12.423 -26.268 -2.245 1.00 0.00 C ATOM 699 NZ LYS A 44 12.838 -27.622 -1.785 1.00 0.00 N ATOM 0 H LYS A 44 11.549 -24.829 -4.251 1.00 0.00 H new ATOM 0 HA LYS A 44 9.759 -22.675 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 44 11.195 -22.300 -1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.570 -23.937 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.119 -23.827 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.259 -23.140 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.649 -25.388 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.928 -25.282 -0.402 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.363 -26.279 -2.497 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.964 -26.012 -3.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.646 -28.317 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.855 -27.619 -1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.303 -27.877 -0.930 1.00 0.00 H new ATOM 713 N LEU A 45 11.478 -20.902 -3.980 1.00 0.00 N ATOM 714 CA LEU A 45 12.307 -19.920 -4.670 1.00 0.00 C ATOM 715 C LEU A 45 13.645 -19.742 -3.960 1.00 0.00 C ATOM 716 O LEU A 45 13.701 -19.647 -2.733 1.00 0.00 O ATOM 717 CB LEU A 45 11.579 -18.577 -4.754 1.00 0.00 C ATOM 718 CG LEU A 45 10.782 -18.325 -6.035 1.00 0.00 C ATOM 719 CD1 LEU A 45 11.678 -18.462 -7.256 1.00 0.00 C ATOM 720 CD2 LEU A 45 9.602 -19.281 -6.126 1.00 0.00 C ATOM 0 H LEU A 45 10.738 -20.499 -3.405 1.00 0.00 H new ATOM 0 HA LEU A 45 12.497 -20.287 -5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 45 10.899 -18.501 -3.906 1.00 0.00 H new ATOM 0 HB3 LEU A 45 12.315 -17.780 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 45 10.396 -17.306 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.094 -18.279 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.489 -17.736 -7.196 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.094 -19.469 -7.291 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.047 -19.087 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 45 9.966 -20.308 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.947 -19.133 -5.267 1.00 0.00 H new ATOM 732 N LEU A 46 14.720 -19.695 -4.738 1.00 0.00 N ATOM 733 CA LEU A 46 16.059 -19.526 -4.184 1.00 0.00 C ATOM 734 C LEU A 46 16.091 -18.381 -3.176 1.00 0.00 C ATOM 735 O LEU A 46 15.932 -17.216 -3.539 1.00 0.00 O ATOM 736 CB LEU A 46 17.067 -19.262 -5.304 1.00 0.00 C ATOM 737 CG LEU A 46 18.136 -20.335 -5.511 1.00 0.00 C ATOM 738 CD1 LEU A 46 19.087 -19.932 -6.628 1.00 0.00 C ATOM 739 CD2 LEU A 46 18.902 -20.581 -4.219 1.00 0.00 C ATOM 0 H LEU A 46 14.691 -19.772 -5.755 1.00 0.00 H new ATOM 0 HA LEU A 46 16.331 -20.447 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 46 16.518 -19.139 -6.238 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.566 -18.315 -5.101 1.00 0.00 H new ATOM 0 HG LEU A 46 17.642 -21.263 -5.799 1.00 0.00 H new ATOM 0 HD11 LEU A 46 19.841 -20.708 -6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.527 -19.807 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.575 -18.992 -6.369 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.659 -21.348 -4.385 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.385 -19.657 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.211 -20.915 -3.444 1.00 0.00 H new ATOM 751 N GLY A 47 16.298 -18.721 -1.908 1.00 0.00 N ATOM 752 CA GLY A 47 16.349 -17.710 -0.867 1.00 0.00 C ATOM 753 C GLY A 47 17.044 -18.203 0.386 1.00 0.00 C ATOM 754 O GLY A 47 18.274 -18.255 0.444 1.00 0.00 O ATOM 0 H GLY A 47 16.431 -19.678 -1.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 16.869 -16.830 -1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.335 -17.398 -0.617 1.00 0.00 H new ATOM 758 N LEU A 48 16.257 -18.565 1.394 1.00 0.00 N ATOM 759 CA LEU A 48 16.804 -19.055 2.654 1.00 0.00 C ATOM 760 C LEU A 48 15.763 -19.863 3.422 1.00 0.00 C ATOM 761 O LEU A 48 14.583 -19.869 3.071 1.00 0.00 O ATOM 762 CB LEU A 48 17.292 -17.885 3.510 1.00 0.00 C ATOM 763 CG LEU A 48 18.537 -18.148 4.359 1.00 0.00 C ATOM 764 CD1 LEU A 48 19.713 -18.534 3.476 1.00 0.00 C ATOM 765 CD2 LEU A 48 18.877 -16.925 5.199 1.00 0.00 C ATOM 0 H LEU A 48 15.238 -18.528 1.363 1.00 0.00 H new ATOM 0 HA LEU A 48 17.647 -19.707 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.497 -17.040 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.481 -17.583 4.173 1.00 0.00 H new ATOM 0 HG LEU A 48 18.326 -18.979 5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 48 20.590 -18.717 4.097 1.00 0.00 H new ATOM 0 HD12 LEU A 48 19.468 -19.438 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 48 19.926 -17.724 2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 48 19.765 -17.130 5.797 1.00 0.00 H new ATOM 0 HD22 LEU A 48 19.068 -16.075 4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 48 18.041 -16.693 5.859 1.00 0.00 H new ATOM 777 N LYS A 49 16.207 -20.543 4.474 1.00 0.00 N ATOM 778 CA LYS A 49 15.314 -21.351 5.295 1.00 0.00 C ATOM 779 C LYS A 49 15.207 -20.781 6.706 1.00 0.00 C ATOM 780 O LYS A 49 16.216 -20.462 7.336 1.00 0.00 O ATOM 781 CB LYS A 49 15.812 -22.797 5.355 1.00 0.00 C ATOM 782 CG LYS A 49 16.388 -23.296 4.041 1.00 0.00 C ATOM 783 CD LYS A 49 16.205 -24.797 3.886 1.00 0.00 C ATOM 784 CE LYS A 49 17.026 -25.342 2.727 1.00 0.00 C ATOM 785 NZ LYS A 49 16.348 -25.130 1.419 1.00 0.00 N ATOM 0 H LYS A 49 17.181 -20.550 4.778 1.00 0.00 H new ATOM 0 HA LYS A 49 14.325 -21.332 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.574 -22.878 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.987 -23.445 5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 49 15.903 -22.782 3.211 1.00 0.00 H new ATOM 0 HG3 LYS A 49 17.449 -23.051 3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.499 -25.298 4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 49 15.151 -25.021 3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 49 18.002 -24.856 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 49 17.202 -26.407 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.939 -25.515 0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.428 -25.615 1.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 16.202 -24.112 1.264 1.00 0.00 H new ATOM 799 N VAL A 50 13.978 -20.657 7.198 1.00 0.00 N ATOM 800 CA VAL A 50 13.740 -20.128 8.536 1.00 0.00 C ATOM 801 C VAL A 50 13.223 -21.215 9.472 1.00 0.00 C ATOM 802 O VAL A 50 12.358 -22.008 9.102 1.00 0.00 O ATOM 803 CB VAL A 50 12.730 -18.966 8.508 1.00 0.00 C ATOM 804 CG1 VAL A 50 11.390 -19.436 7.962 1.00 0.00 C ATOM 805 CG2 VAL A 50 12.568 -18.368 9.897 1.00 0.00 C ATOM 0 H VAL A 50 13.132 -20.916 6.690 1.00 0.00 H new ATOM 0 HA VAL A 50 14.696 -19.759 8.906 1.00 0.00 H new ATOM 0 HB VAL A 50 13.114 -18.190 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.689 -18.601 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.522 -19.814 6.948 1.00 0.00 H new ATOM 0 HG13 VAL A 50 10.997 -20.230 8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.851 -17.548 9.859 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.207 -19.134 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.530 -17.992 10.246 1.00 0.00 H new ATOM 815 N LYS A 51 13.759 -21.245 10.688 1.00 0.00 N ATOM 816 CA LYS A 51 13.351 -22.232 11.680 1.00 0.00 C ATOM 817 C LYS A 51 13.623 -23.648 11.181 1.00 0.00 C ATOM 818 O LYS A 51 13.037 -24.612 11.672 1.00 0.00 O ATOM 819 CB LYS A 51 11.865 -22.072 12.009 1.00 0.00 C ATOM 820 CG LYS A 51 11.442 -20.629 12.221 1.00 0.00 C ATOM 821 CD LYS A 51 10.381 -20.513 13.303 1.00 0.00 C ATOM 822 CE LYS A 51 8.979 -20.595 12.720 1.00 0.00 C ATOM 823 NZ LYS A 51 8.642 -19.390 11.912 1.00 0.00 N ATOM 0 H LYS A 51 14.477 -20.596 11.010 1.00 0.00 H new ATOM 0 HA LYS A 51 13.936 -22.065 12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.274 -22.500 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.637 -22.645 12.908 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.311 -20.031 12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.057 -20.221 11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.519 -21.308 14.036 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.501 -19.568 13.832 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.897 -21.485 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.256 -20.704 13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.609 -19.303 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.026 -18.542 12.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.056 -19.482 10.962 1.00 0.00 H new ATOM 837 N GLY A 52 14.517 -23.766 10.204 1.00 0.00 N ATOM 838 CA GLY A 52 14.851 -25.068 9.657 1.00 0.00 C ATOM 839 C GLY A 52 13.925 -25.477 8.529 1.00 0.00 C ATOM 840 O GLY A 52 14.124 -26.516 7.898 1.00 0.00 O ATOM 0 H GLY A 52 15.016 -22.983 9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 52 15.878 -25.053 9.293 1.00 0.00 H new ATOM 0 HA3 GLY A 52 14.805 -25.815 10.450 1.00 0.00 H new ATOM 844 N LYS A 53 12.908 -24.661 8.273 1.00 0.00 N ATOM 845 CA LYS A 53 11.947 -24.942 7.214 1.00 0.00 C ATOM 846 C LYS A 53 12.290 -24.165 5.947 1.00 0.00 C ATOM 847 O LYS A 53 12.759 -23.028 5.996 1.00 0.00 O ATOM 848 CB LYS A 53 10.531 -24.589 7.674 1.00 0.00 C ATOM 849 CG LYS A 53 9.945 -25.586 8.659 1.00 0.00 C ATOM 850 CD LYS A 53 8.871 -26.444 8.011 1.00 0.00 C ATOM 851 CE LYS A 53 8.387 -27.537 8.952 1.00 0.00 C ATOM 852 NZ LYS A 53 7.593 -26.983 10.083 1.00 0.00 N ATOM 0 H LYS A 53 12.728 -23.798 8.786 1.00 0.00 H new ATOM 0 HA LYS A 53 11.994 -26.008 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.543 -23.601 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.880 -24.527 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.738 -26.225 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.522 -25.052 9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.030 -25.816 7.718 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.265 -26.895 7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.779 -28.251 8.397 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.244 -28.085 9.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 7.281 -27.759 10.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.181 -26.321 10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.761 -26.482 9.711 1.00 0.00 H new ATOM 866 N PRO A 54 12.050 -24.790 4.785 1.00 0.00 N ATOM 867 CA PRO A 54 12.325 -24.174 3.483 1.00 0.00 C ATOM 868 C PRO A 54 11.372 -23.024 3.174 1.00 0.00 C ATOM 869 O PRO A 54 10.585 -23.094 2.230 1.00 0.00 O ATOM 870 CB PRO A 54 12.113 -25.324 2.495 1.00 0.00 C ATOM 871 CG PRO A 54 11.172 -26.249 3.186 1.00 0.00 C ATOM 872 CD PRO A 54 11.492 -26.146 4.652 1.00 0.00 C ATOM 0 HA PRO A 54 13.322 -23.736 3.441 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.696 -24.965 1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 54 13.054 -25.821 2.258 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.137 -25.969 2.992 1.00 0.00 H new ATOM 0 HG3 PRO A 54 11.298 -27.271 2.830 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.602 -26.276 5.268 1.00 0.00 H new ATOM 0 HD3 PRO A 54 12.208 -26.907 4.961 1.00 0.00 H new ATOM 880 N ALA A 55 11.450 -21.966 3.975 1.00 0.00 N ATOM 881 CA ALA A 55 10.596 -20.800 3.784 1.00 0.00 C ATOM 882 C ALA A 55 9.139 -21.210 3.603 1.00 0.00 C ATOM 883 O ALA A 55 8.648 -21.310 2.479 1.00 0.00 O ATOM 884 CB ALA A 55 11.071 -19.988 2.588 1.00 0.00 C ATOM 0 H ALA A 55 12.095 -21.892 4.762 1.00 0.00 H new ATOM 0 HA ALA A 55 10.663 -20.181 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.424 -19.120 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.095 -19.655 2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.035 -20.606 1.691 1.00 0.00 H new ATOM 890 N GLU A 56 8.452 -21.447 4.717 1.00 0.00 N ATOM 891 CA GLU A 56 7.051 -21.848 4.679 1.00 0.00 C ATOM 892 C GLU A 56 6.237 -20.899 3.803 1.00 0.00 C ATOM 893 O GLU A 56 6.633 -19.758 3.572 1.00 0.00 O ATOM 894 CB GLU A 56 6.468 -21.879 6.094 1.00 0.00 C ATOM 895 CG GLU A 56 5.430 -22.969 6.300 1.00 0.00 C ATOM 896 CD GLU A 56 5.660 -23.760 7.573 1.00 0.00 C ATOM 897 OE1 GLU A 56 6.087 -23.156 8.579 1.00 0.00 O ATOM 898 OE2 GLU A 56 5.413 -24.984 7.563 1.00 0.00 O ATOM 0 H GLU A 56 8.843 -21.368 5.656 1.00 0.00 H new ATOM 0 HA GLU A 56 6.997 -22.848 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.278 -22.021 6.809 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.015 -20.912 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.438 -22.519 6.330 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.447 -23.647 5.447 1.00 0.00 H new ATOM 905 N ASN A 57 5.098 -21.382 3.318 1.00 0.00 N ATOM 906 CA ASN A 57 4.228 -20.579 2.466 1.00 0.00 C ATOM 907 C ASN A 57 3.800 -19.300 3.179 1.00 0.00 C ATOM 908 O ASN A 57 3.535 -18.281 2.540 1.00 0.00 O ATOM 909 CB ASN A 57 2.994 -21.386 2.057 1.00 0.00 C ATOM 910 CG ASN A 57 3.032 -21.800 0.599 1.00 0.00 C ATOM 911 OD1 ASN A 57 3.626 -21.119 -0.237 1.00 0.00 O ATOM 912 ND2 ASN A 57 2.396 -22.924 0.287 1.00 0.00 N ATOM 0 H ASN A 57 4.756 -22.325 3.500 1.00 0.00 H new ATOM 0 HA ASN A 57 4.788 -20.306 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.921 -22.275 2.683 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.098 -20.793 2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.387 -23.254 -0.678 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.917 -23.457 1.013 1.00 0.00 H new ATOM 919 N ASP A 58 3.735 -19.360 4.504 1.00 0.00 N ATOM 920 CA ASP A 58 3.341 -18.206 5.304 1.00 0.00 C ATOM 921 C ASP A 58 4.516 -17.253 5.498 1.00 0.00 C ATOM 922 O ASP A 58 4.341 -16.117 5.938 1.00 0.00 O ATOM 923 CB ASP A 58 2.806 -18.660 6.663 1.00 0.00 C ATOM 924 CG ASP A 58 1.808 -17.681 7.248 1.00 0.00 C ATOM 925 OD1 ASP A 58 2.146 -16.484 7.358 1.00 0.00 O ATOM 926 OD2 ASP A 58 0.689 -18.111 7.597 1.00 0.00 O ATOM 0 H ASP A 58 3.950 -20.196 5.047 1.00 0.00 H new ATOM 0 HA ASP A 58 2.552 -17.677 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.333 -19.636 6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.639 -18.783 7.355 1.00 0.00 H new ATOM 931 N VAL A 59 5.715 -17.724 5.168 1.00 0.00 N ATOM 932 CA VAL A 59 6.919 -16.913 5.306 1.00 0.00 C ATOM 933 C VAL A 59 6.960 -15.807 4.257 1.00 0.00 C ATOM 934 O VAL A 59 6.753 -16.055 3.069 1.00 0.00 O ATOM 935 CB VAL A 59 8.191 -17.773 5.180 1.00 0.00 C ATOM 936 CG1 VAL A 59 9.435 -16.900 5.256 1.00 0.00 C ATOM 937 CG2 VAL A 59 8.217 -18.847 6.257 1.00 0.00 C ATOM 0 H VAL A 59 5.878 -18.663 4.803 1.00 0.00 H new ATOM 0 HA VAL A 59 6.888 -16.466 6.300 1.00 0.00 H new ATOM 0 HB VAL A 59 8.181 -18.266 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.324 -17.524 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.419 -16.172 4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 59 9.455 -16.377 6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.122 -19.445 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.204 -18.377 7.240 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.343 -19.490 6.151 1.00 0.00 H new ATOM 947 N LYS A 60 7.229 -14.586 4.705 1.00 0.00 N ATOM 948 CA LYS A 60 7.300 -13.440 3.806 1.00 0.00 C ATOM 949 C LYS A 60 8.463 -13.584 2.830 1.00 0.00 C ATOM 950 O LYS A 60 9.405 -14.338 3.078 1.00 0.00 O ATOM 951 CB LYS A 60 7.451 -12.145 4.608 1.00 0.00 C ATOM 952 CG LYS A 60 6.750 -12.179 5.955 1.00 0.00 C ATOM 953 CD LYS A 60 6.128 -10.835 6.294 1.00 0.00 C ATOM 954 CE LYS A 60 4.635 -10.962 6.557 1.00 0.00 C ATOM 955 NZ LYS A 60 4.354 -11.436 7.940 1.00 0.00 N ATOM 0 H LYS A 60 7.402 -14.364 5.685 1.00 0.00 H new ATOM 0 HA LYS A 60 6.373 -13.401 3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.511 -11.946 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.054 -11.316 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.976 -12.947 5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.464 -12.457 6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.619 -10.417 7.173 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.296 -10.138 5.473 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.155 -9.996 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.198 -11.656 5.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.326 -11.509 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.790 -12.369 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.749 -10.761 8.625 1.00 0.00 H new ATOM 969 N LEU A 61 8.392 -12.857 1.721 1.00 0.00 N ATOM 970 CA LEU A 61 9.441 -12.903 0.708 1.00 0.00 C ATOM 971 C LEU A 61 10.710 -12.219 1.206 1.00 0.00 C ATOM 972 O LEU A 61 11.742 -12.862 1.392 1.00 0.00 O ATOM 973 CB LEU A 61 8.961 -12.236 -0.582 1.00 0.00 C ATOM 974 CG LEU A 61 7.841 -12.956 -1.334 1.00 0.00 C ATOM 975 CD1 LEU A 61 8.165 -14.434 -1.487 1.00 0.00 C ATOM 976 CD2 LEU A 61 6.512 -12.771 -0.617 1.00 0.00 C ATOM 0 H LEU A 61 7.619 -12.229 1.500 1.00 0.00 H new ATOM 0 HA LEU A 61 9.670 -13.949 0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.621 -11.229 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.814 -12.133 -1.253 1.00 0.00 H new ATOM 0 HG LEU A 61 7.758 -12.518 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.357 -14.930 -2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.095 -14.547 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.276 -14.886 -0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.727 -13.290 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.582 -13.181 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.274 -11.709 -0.561 1.00 0.00 H new ATOM 988 N GLY A 62 10.625 -10.910 1.422 1.00 0.00 N ATOM 989 CA GLY A 62 11.772 -10.161 1.899 1.00 0.00 C ATOM 990 C GLY A 62 12.345 -10.731 3.181 1.00 0.00 C ATOM 991 O GLY A 62 13.447 -10.368 3.593 1.00 0.00 O ATOM 0 H GLY A 62 9.782 -10.355 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.544 -10.157 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.481 -9.124 2.064 1.00 0.00 H new ATOM 995 N ALA A 63 11.596 -11.627 3.815 1.00 0.00 N ATOM 996 CA ALA A 63 12.036 -12.249 5.058 1.00 0.00 C ATOM 997 C ALA A 63 13.334 -13.023 4.855 1.00 0.00 C ATOM 998 O ALA A 63 14.349 -12.728 5.487 1.00 0.00 O ATOM 999 CB ALA A 63 10.951 -13.168 5.601 1.00 0.00 C ATOM 0 H ALA A 63 10.681 -11.939 3.488 1.00 0.00 H new ATOM 0 HA ALA A 63 12.225 -11.458 5.784 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.293 -13.626 6.529 1.00 0.00 H new ATOM 0 HB2 ALA A 63 10.047 -12.590 5.793 1.00 0.00 H new ATOM 0 HB3 ALA A 63 10.735 -13.947 4.870 1.00 0.00 H new ATOM 1005 N LEU A 64 13.295 -14.013 3.970 1.00 0.00 N ATOM 1006 CA LEU A 64 14.470 -14.830 3.684 1.00 0.00 C ATOM 1007 C LEU A 64 14.787 -14.824 2.192 1.00 0.00 C ATOM 1008 O LEU A 64 15.951 -14.846 1.793 1.00 0.00 O ATOM 1009 CB LEU A 64 14.246 -16.265 4.164 1.00 0.00 C ATOM 1010 CG LEU A 64 12.792 -16.676 4.396 1.00 0.00 C ATOM 1011 CD1 LEU A 64 12.048 -16.777 3.073 1.00 0.00 C ATOM 1012 CD2 LEU A 64 12.725 -17.996 5.150 1.00 0.00 C ATOM 0 H LEU A 64 12.463 -14.270 3.438 1.00 0.00 H new ATOM 0 HA LEU A 64 15.319 -14.403 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.682 -16.944 3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 64 14.795 -16.405 5.095 1.00 0.00 H new ATOM 0 HG LEU A 64 12.310 -15.909 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.015 -17.071 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 64 12.066 -15.810 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.529 -17.523 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.682 -18.273 5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.224 -18.772 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 64 13.221 -17.889 6.115 1.00 0.00 H new ATOM 1024 N LYS A 65 13.743 -14.792 1.371 1.00 0.00 N ATOM 1025 CA LYS A 65 13.908 -14.780 -0.078 1.00 0.00 C ATOM 1026 C LYS A 65 14.915 -13.716 -0.501 1.00 0.00 C ATOM 1027 O LYS A 65 16.099 -14.004 -0.682 1.00 0.00 O ATOM 1028 CB LYS A 65 12.563 -14.527 -0.763 1.00 0.00 C ATOM 1029 CG LYS A 65 11.493 -15.540 -0.396 1.00 0.00 C ATOM 1030 CD LYS A 65 11.780 -16.901 -1.008 1.00 0.00 C ATOM 1031 CE LYS A 65 11.832 -17.989 0.053 1.00 0.00 C ATOM 1032 NZ LYS A 65 11.477 -19.324 -0.504 1.00 0.00 N ATOM 0 H LYS A 65 12.773 -14.774 1.685 1.00 0.00 H new ATOM 0 HA LYS A 65 14.286 -15.755 -0.384 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.212 -13.529 -0.499 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.707 -14.539 -1.843 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.435 -15.633 0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.521 -15.184 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.009 -17.142 -1.740 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.729 -16.868 -1.543 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.833 -18.029 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.147 -17.739 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.111 -20.046 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.493 -19.553 -0.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.579 -19.307 -1.539 1.00 0.00 H new ATOM 1046 N LEU A 66 14.439 -12.486 -0.657 1.00 0.00 N ATOM 1047 CA LEU A 66 15.298 -11.377 -1.058 1.00 0.00 C ATOM 1048 C LEU A 66 14.484 -10.104 -1.266 1.00 0.00 C ATOM 1049 O LEU A 66 13.287 -10.066 -0.979 1.00 0.00 O ATOM 1050 CB LEU A 66 16.052 -11.729 -2.341 1.00 0.00 C ATOM 1051 CG LEU A 66 15.262 -12.511 -3.391 1.00 0.00 C ATOM 1052 CD1 LEU A 66 14.138 -11.658 -3.958 1.00 0.00 C ATOM 1053 CD2 LEU A 66 16.183 -12.991 -4.504 1.00 0.00 C ATOM 0 H LEU A 66 13.462 -12.231 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 66 16.017 -11.199 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.406 -10.804 -2.796 1.00 0.00 H new ATOM 0 HB3 LEU A 66 16.934 -12.310 -2.072 1.00 0.00 H new ATOM 0 HG LEU A 66 14.821 -13.384 -2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.587 -12.231 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 66 13.463 -11.365 -3.154 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.557 -10.766 -4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 66 15.603 -13.546 -5.242 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.653 -12.132 -4.983 1.00 0.00 H new ATOM 0 HD23 LEU A 66 16.953 -13.640 -4.085 1.00 0.00 H new ATOM 1065 N LYS A 67 15.140 -9.064 -1.768 1.00 0.00 N ATOM 1066 CA LYS A 67 14.478 -7.789 -2.019 1.00 0.00 C ATOM 1067 C LYS A 67 13.386 -7.941 -3.073 1.00 0.00 C ATOM 1068 O LYS A 67 13.321 -8.937 -3.794 1.00 0.00 O ATOM 1069 CB LYS A 67 15.497 -6.742 -2.472 1.00 0.00 C ATOM 1070 CG LYS A 67 15.889 -5.762 -1.379 1.00 0.00 C ATOM 1071 CD LYS A 67 16.746 -4.632 -1.924 1.00 0.00 C ATOM 1072 CE LYS A 67 17.811 -4.207 -0.924 1.00 0.00 C ATOM 1073 NZ LYS A 67 18.792 -3.263 -1.526 1.00 0.00 N ATOM 0 H LYS A 67 16.131 -9.079 -2.009 1.00 0.00 H new ATOM 0 HA LYS A 67 14.017 -7.459 -1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.392 -7.250 -2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 67 15.085 -6.187 -3.315 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.991 -5.350 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.435 -6.288 -0.596 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.223 -4.950 -2.851 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.113 -3.779 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.334 -3.736 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.335 -5.089 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.501 -2.997 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.265 -3.721 -2.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.296 -2.410 -1.855 1.00 0.00 H new ATOM 1087 N PRO A 68 12.510 -6.931 -3.169 1.00 0.00 N ATOM 1088 CA PRO A 68 11.407 -6.928 -4.135 1.00 0.00 C ATOM 1089 C PRO A 68 11.894 -6.771 -5.571 1.00 0.00 C ATOM 1090 O PRO A 68 11.670 -7.641 -6.411 1.00 0.00 O ATOM 1091 CB PRO A 68 10.572 -5.715 -3.717 1.00 0.00 C ATOM 1092 CG PRO A 68 11.536 -4.813 -3.025 1.00 0.00 C ATOM 1093 CD PRO A 68 12.528 -5.712 -2.342 1.00 0.00 C ATOM 0 HA PRO A 68 10.854 -7.867 -4.124 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.123 -5.226 -4.582 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.756 -6.005 -3.055 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.033 -4.153 -3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.025 -4.176 -2.303 1.00 0.00 H new ATOM 0 HD2 PRO A 68 13.521 -5.263 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.238 -5.921 -1.312 1.00 0.00 H new ATOM 1101 N ASN A 69 12.562 -5.655 -5.845 1.00 0.00 N ATOM 1102 CA ASN A 69 13.081 -5.384 -7.181 1.00 0.00 C ATOM 1103 C ASN A 69 14.030 -6.490 -7.631 1.00 0.00 C ATOM 1104 O ASN A 69 14.266 -6.674 -8.825 1.00 0.00 O ATOM 1105 CB ASN A 69 13.804 -4.035 -7.206 1.00 0.00 C ATOM 1106 CG ASN A 69 13.016 -2.944 -6.507 1.00 0.00 C ATOM 1107 OD1 ASN A 69 11.835 -2.738 -6.789 1.00 0.00 O ATOM 1108 ND2 ASN A 69 13.668 -2.238 -5.590 1.00 0.00 N ATOM 0 H ASN A 69 12.757 -4.924 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 69 12.238 -5.350 -7.871 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.778 -4.139 -6.728 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.986 -3.742 -8.240 1.00 0.00 H new ATOM 0 HD21 ASN A 69 13.190 -1.490 -5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.647 -2.444 -5.389 1.00 0.00 H new ATOM 1115 N THR A 70 14.572 -7.226 -6.665 1.00 0.00 N ATOM 1116 CA THR A 70 15.496 -8.314 -6.961 1.00 0.00 C ATOM 1117 C THR A 70 14.763 -9.513 -7.552 1.00 0.00 C ATOM 1118 O THR A 70 13.609 -9.777 -7.212 1.00 0.00 O ATOM 1119 CB THR A 70 16.257 -8.763 -5.699 1.00 0.00 C ATOM 1120 OG1 THR A 70 17.044 -7.681 -5.190 1.00 0.00 O ATOM 1121 CG2 THR A 70 17.157 -9.951 -6.004 1.00 0.00 C ATOM 0 H THR A 70 14.387 -7.088 -5.671 1.00 0.00 H new ATOM 0 HA THR A 70 16.210 -7.933 -7.691 1.00 0.00 H new ATOM 0 HB THR A 70 15.526 -9.064 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 70 17.642 -8.013 -4.488 1.00 0.00 H new ATOM 0 HG21 THR A 70 17.684 -10.250 -5.098 1.00 0.00 H new ATOM 0 HG22 THR A 70 16.552 -10.783 -6.363 1.00 0.00 H new ATOM 0 HG23 THR A 70 17.881 -9.672 -6.769 1.00 0.00 H new ATOM 1129 N LYS A 71 15.439 -10.236 -8.437 1.00 0.00 N ATOM 1130 CA LYS A 71 14.853 -11.409 -9.075 1.00 0.00 C ATOM 1131 C LYS A 71 15.239 -12.683 -8.330 1.00 0.00 C ATOM 1132 O LYS A 71 16.336 -12.783 -7.780 1.00 0.00 O ATOM 1133 CB LYS A 71 15.305 -11.502 -10.534 1.00 0.00 C ATOM 1134 CG LYS A 71 16.813 -11.584 -10.699 1.00 0.00 C ATOM 1135 CD LYS A 71 17.422 -10.215 -10.951 1.00 0.00 C ATOM 1136 CE LYS A 71 17.576 -9.938 -12.438 1.00 0.00 C ATOM 1137 NZ LYS A 71 18.868 -10.457 -12.968 1.00 0.00 N ATOM 0 H LYS A 71 16.394 -10.030 -8.729 1.00 0.00 H new ATOM 0 HA LYS A 71 13.768 -11.305 -9.044 1.00 0.00 H new ATOM 0 HB2 LYS A 71 14.849 -12.380 -10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.935 -10.632 -11.076 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.255 -12.020 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.053 -12.248 -11.529 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.793 -9.447 -10.500 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.396 -10.154 -10.466 1.00 0.00 H new ATOM 0 HE2 LYS A 71 16.750 -10.398 -12.981 1.00 0.00 H new ATOM 0 HE3 LYS A 71 17.516 -8.864 -12.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.906 -10.309 -13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.657 -9.951 -12.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 18.945 -11.473 -12.761 1.00 0.00 H new ATOM 1151 N ILE A 72 14.332 -13.654 -8.319 1.00 0.00 N ATOM 1152 CA ILE A 72 14.580 -14.922 -7.644 1.00 0.00 C ATOM 1153 C ILE A 72 14.615 -16.077 -8.639 1.00 0.00 C ATOM 1154 O ILE A 72 14.030 -15.997 -9.719 1.00 0.00 O ATOM 1155 CB ILE A 72 13.507 -15.211 -6.577 1.00 0.00 C ATOM 1156 CG1 ILE A 72 12.485 -14.074 -6.529 1.00 0.00 C ATOM 1157 CG2 ILE A 72 14.155 -15.407 -5.214 1.00 0.00 C ATOM 1158 CD1 ILE A 72 11.441 -14.245 -5.448 1.00 0.00 C ATOM 0 H ILE A 72 13.419 -13.587 -8.770 1.00 0.00 H new ATOM 0 HA ILE A 72 15.551 -14.835 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 72 12.987 -16.130 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 72 13.009 -13.132 -6.371 1.00 0.00 H new ATOM 0 HG13 ILE A 72 11.987 -14.003 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 72 13.384 -15.610 -4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.848 -16.248 -5.258 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.698 -14.504 -4.936 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.750 -13.402 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 72 10.891 -15.171 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE A 72 11.929 -14.286 -4.474 1.00 0.00 H new ATOM 1170 N MET A 73 15.303 -17.151 -8.267 1.00 0.00 N ATOM 1171 CA MET A 73 15.412 -18.324 -9.126 1.00 0.00 C ATOM 1172 C MET A 73 14.476 -19.433 -8.654 1.00 0.00 C ATOM 1173 O MET A 73 14.292 -19.633 -7.454 1.00 0.00 O ATOM 1174 CB MET A 73 16.854 -18.834 -9.149 1.00 0.00 C ATOM 1175 CG MET A 73 17.674 -18.286 -10.306 1.00 0.00 C ATOM 1176 SD MET A 73 19.097 -19.321 -10.700 1.00 0.00 S ATOM 1177 CE MET A 73 18.371 -20.464 -11.872 1.00 0.00 C ATOM 0 H MET A 73 15.793 -17.233 -7.376 1.00 0.00 H new ATOM 0 HA MET A 73 15.121 -18.032 -10.135 1.00 0.00 H new ATOM 0 HB2 MET A 73 17.340 -18.567 -8.211 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.845 -19.923 -9.204 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.038 -18.198 -11.187 1.00 0.00 H new ATOM 0 HG3 MET A 73 18.017 -17.281 -10.059 1.00 0.00 H new ATOM 0 HE1 MET A 73 19.130 -21.170 -12.209 1.00 0.00 H new ATOM 0 HE2 MET A 73 17.556 -21.007 -11.393 1.00 0.00 H new ATOM 0 HE3 MET A 73 17.984 -19.911 -12.728 1.00 0.00 H new ATOM 1187 N MET A 74 13.887 -20.149 -9.606 1.00 0.00 N ATOM 1188 CA MET A 74 12.970 -21.237 -9.287 1.00 0.00 C ATOM 1189 C MET A 74 13.656 -22.590 -9.446 1.00 0.00 C ATOM 1190 O MET A 74 14.064 -22.964 -10.545 1.00 0.00 O ATOM 1191 CB MET A 74 11.733 -21.171 -10.184 1.00 0.00 C ATOM 1192 CG MET A 74 10.632 -20.277 -9.637 1.00 0.00 C ATOM 1193 SD MET A 74 9.080 -20.456 -10.538 1.00 0.00 S ATOM 1194 CE MET A 74 8.059 -21.249 -9.298 1.00 0.00 C ATOM 0 H MET A 74 14.028 -19.995 -10.604 1.00 0.00 H new ATOM 0 HA MET A 74 12.662 -21.125 -8.248 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.028 -20.809 -11.169 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.338 -22.178 -10.319 1.00 0.00 H new ATOM 0 HG2 MET A 74 10.467 -20.513 -8.586 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.957 -19.238 -9.683 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.014 -20.992 -9.469 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.182 -22.330 -9.362 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.359 -20.908 -8.307 1.00 0.00 H new ATOM 1204 N MET A 75 13.780 -23.319 -8.341 1.00 0.00 N ATOM 1205 CA MET A 75 14.416 -24.631 -8.360 1.00 0.00 C ATOM 1206 C MET A 75 13.413 -25.727 -8.015 1.00 0.00 C ATOM 1207 O MET A 75 12.926 -25.804 -6.887 1.00 0.00 O ATOM 1208 CB MET A 75 15.587 -24.667 -7.375 1.00 0.00 C ATOM 1209 CG MET A 75 16.569 -23.521 -7.557 1.00 0.00 C ATOM 1210 SD MET A 75 18.279 -24.022 -7.282 1.00 0.00 S ATOM 1211 CE MET A 75 18.914 -23.992 -8.957 1.00 0.00 C ATOM 0 H MET A 75 13.449 -23.024 -7.423 1.00 0.00 H new ATOM 0 HA MET A 75 14.791 -24.811 -9.367 1.00 0.00 H new ATOM 0 HB2 MET A 75 15.196 -24.642 -6.358 1.00 0.00 H new ATOM 0 HB3 MET A 75 16.118 -25.612 -7.489 1.00 0.00 H new ATOM 0 HG2 MET A 75 16.470 -23.119 -8.565 1.00 0.00 H new ATOM 0 HG3 MET A 75 16.315 -22.717 -6.867 1.00 0.00 H new ATOM 0 HE1 MET A 75 19.965 -24.280 -8.953 1.00 0.00 H new ATOM 0 HE2 MET A 75 18.349 -24.691 -9.573 1.00 0.00 H new ATOM 0 HE3 MET A 75 18.815 -22.986 -9.366 1.00 0.00 H new ATOM 1221 N GLY A 76 13.107 -26.573 -8.994 1.00 0.00 N ATOM 1222 CA GLY A 76 12.163 -27.653 -8.773 1.00 0.00 C ATOM 1223 C GLY A 76 11.518 -28.130 -10.059 1.00 0.00 C ATOM 1224 O GLY A 76 12.108 -28.026 -11.135 1.00 0.00 O ATOM 0 H GLY A 76 13.496 -26.530 -9.936 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.676 -28.488 -8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.388 -27.319 -8.083 1.00 0.00 H new ATOM 1228 N THR A 77 10.303 -28.659 -9.949 1.00 0.00 N ATOM 1229 CA THR A 77 9.579 -29.158 -11.111 1.00 0.00 C ATOM 1230 C THR A 77 8.124 -28.703 -11.090 1.00 0.00 C ATOM 1231 O THR A 77 7.538 -28.518 -10.023 1.00 0.00 O ATOM 1232 CB THR A 77 9.622 -30.696 -11.183 1.00 0.00 C ATOM 1233 OG1 THR A 77 8.426 -31.247 -10.621 1.00 0.00 O ATOM 1234 CG2 THR A 77 10.835 -31.238 -10.441 1.00 0.00 C ATOM 0 H THR A 77 9.800 -28.753 -9.067 1.00 0.00 H new ATOM 0 HA THR A 77 10.073 -28.746 -11.991 1.00 0.00 H new ATOM 0 HB THR A 77 9.697 -30.987 -12.231 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.461 -32.225 -10.672 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.845 -32.326 -10.505 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.745 -30.840 -10.891 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.786 -30.937 -9.395 1.00 0.00 H new