USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 566 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 54 LYS NZ :NH3+ -178:sc= 0.689 (180deg=0.0331) USER MOD Set 1.2: A 59 TYR OH : rot -143:sc= 0.465 USER MOD Set 2.1: A 7 THR OG1 : rot -169:sc= 0.983 USER MOD Set 2.2: A 9 THR OG1 : rot -12:sc= 0.861 USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 27:sc= 0.622! USER MOD Single : A 17 THR OG1 : rot 41:sc=-0.00569 USER MOD Single : A 22 THR OG1 : rot 17:sc= 0.158 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.11) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -3.37! (180deg=-4.62!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.18) USER MOD Single : A 41 GLN : amide:sc= -1.27 K(o=-1.3,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0208 USER MOD Single : A 56 MET CE :methyl 139:sc= -2.75 (180deg=-8.57!) USER MOD Single : A 60 ASN : amide:sc=-0.00125 X(o=-0.0012,f=-0.0055) USER MOD Single : A 62 GLN : amide:sc= -0.031 X(o=-0.031,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -70:sc= -1.08 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=0) USER MOD Single : A 69 MET CE :methyl 150:sc= -0.253 (180deg=-1.48) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 2.123 -2.418 -1.450 1.00 52.40 N ATOM 19 CA GLN A 2 2.733 -3.733 -1.606 1.00 10.32 C ATOM 20 C GLN A 2 2.398 -4.330 -2.968 1.00 62.24 C ATOM 21 O GLN A 2 1.338 -4.058 -3.533 1.00 30.15 O ATOM 22 CB GLN A 2 2.262 -4.672 -0.494 1.00 54.21 C ATOM 23 CG GLN A 2 0.827 -5.145 -0.665 1.00 63.54 C ATOM 24 CD GLN A 2 0.275 -5.797 0.587 1.00 74.43 C ATOM 25 OE1 GLN A 2 1.028 -6.232 1.459 1.00 52.53 O ATOM 26 NE2 GLN A 2 -1.048 -5.869 0.682 1.00 21.55 N ATOM 0 HA GLN A 2 3.814 -3.615 -1.538 1.00 10.32 H new ATOM 0 HB2 GLN A 2 2.920 -5.540 -0.460 1.00 54.21 H new ATOM 0 HB3 GLN A 2 2.356 -4.162 0.465 1.00 54.21 H new ATOM 0 HG2 GLN A 2 0.199 -4.297 -0.936 1.00 63.54 H new ATOM 0 HG3 GLN A 2 0.778 -5.854 -1.491 1.00 63.54 H new ATOM 0 HE21 GLN A 2 -1.634 -5.495 -0.065 1.00 21.55 H new ATOM 0 HE22 GLN A 2 -1.478 -6.298 1.502 1.00 21.55 H new ATOM 35 N ILE A 3 3.308 -5.145 -3.492 1.00 4.44 N ATOM 36 CA ILE A 3 3.109 -5.781 -4.788 1.00 13.33 C ATOM 37 C ILE A 3 3.007 -7.296 -4.647 1.00 13.33 C ATOM 38 O ILE A 3 3.270 -7.850 -3.579 1.00 44.23 O ATOM 39 CB ILE A 3 4.252 -5.443 -5.763 1.00 20.02 C ATOM 40 CG1 ILE A 3 5.565 -6.059 -5.276 1.00 3.21 C ATOM 41 CG2 ILE A 3 4.391 -3.936 -5.914 1.00 4.42 C ATOM 42 CD1 ILE A 3 6.739 -5.777 -6.187 1.00 63.13 C ATOM 0 H ILE A 3 4.191 -5.380 -3.038 1.00 4.44 H new ATOM 0 HA ILE A 3 2.173 -5.392 -5.190 1.00 13.33 H new ATOM 0 HB ILE A 3 4.014 -5.865 -6.739 1.00 20.02 H new ATOM 0 HG12 ILE A 3 5.789 -5.677 -4.280 1.00 3.21 H new ATOM 0 HG13 ILE A 3 5.438 -7.138 -5.183 1.00 3.21 H new ATOM 0 HG21 ILE A 3 5.203 -3.713 -6.606 1.00 4.42 H new ATOM 0 HG22 ILE A 3 3.460 -3.522 -6.301 1.00 4.42 H new ATOM 0 HG23 ILE A 3 4.610 -3.492 -4.943 1.00 4.42 H new ATOM 0 HD11 ILE A 3 7.636 -6.244 -5.780 1.00 63.13 H new ATOM 0 HD12 ILE A 3 6.536 -6.183 -7.178 1.00 63.13 H new ATOM 0 HD13 ILE A 3 6.892 -4.700 -6.261 1.00 63.13 H new ATOM 54 N PHE A 4 2.624 -7.961 -5.732 1.00 11.05 N ATOM 55 CA PHE A 4 2.488 -9.413 -5.730 1.00 11.14 C ATOM 56 C PHE A 4 3.603 -10.065 -6.542 1.00 52.33 C ATOM 57 O PHE A 4 3.837 -9.703 -7.696 1.00 3.13 O ATOM 58 CB PHE A 4 1.125 -9.819 -6.294 1.00 62.45 C ATOM 59 CG PHE A 4 0.002 -9.684 -5.306 1.00 41.55 C ATOM 60 CD1 PHE A 4 -0.296 -8.454 -4.741 1.00 70.31 C ATOM 61 CD2 PHE A 4 -0.755 -10.785 -4.943 1.00 33.42 C ATOM 62 CE1 PHE A 4 -1.329 -8.326 -3.832 1.00 11.32 C ATOM 63 CE2 PHE A 4 -1.790 -10.663 -4.035 1.00 2.25 C ATOM 64 CZ PHE A 4 -2.076 -9.432 -3.477 1.00 53.24 C ATOM 0 H PHE A 4 2.402 -7.518 -6.624 1.00 11.05 H new ATOM 0 HA PHE A 4 2.564 -9.759 -4.699 1.00 11.14 H new ATOM 0 HB2 PHE A 4 0.905 -9.205 -7.168 1.00 62.45 H new ATOM 0 HB3 PHE A 4 1.176 -10.853 -6.635 1.00 62.45 H new ATOM 0 HD1 PHE A 4 0.286 -7.586 -5.014 1.00 70.31 H new ATOM 0 HD2 PHE A 4 -0.534 -11.750 -5.374 1.00 33.42 H new ATOM 0 HE1 PHE A 4 -1.552 -7.362 -3.400 1.00 11.32 H new ATOM 0 HE2 PHE A 4 -2.375 -11.529 -3.762 1.00 2.25 H new ATOM 0 HZ PHE A 4 -2.882 -9.335 -2.765 1.00 53.24 H new ATOM 74 N ILE A 5 4.287 -11.027 -5.932 1.00 13.40 N ATOM 75 CA ILE A 5 5.376 -11.729 -6.598 1.00 63.12 C ATOM 76 C ILE A 5 5.111 -13.230 -6.653 1.00 12.33 C ATOM 77 O ILE A 5 4.584 -13.813 -5.705 1.00 74.34 O ATOM 78 CB ILE A 5 6.721 -11.483 -5.890 1.00 5.41 C ATOM 79 CG1 ILE A 5 7.053 -9.989 -5.883 1.00 41.15 C ATOM 80 CG2 ILE A 5 7.830 -12.274 -6.568 1.00 51.10 C ATOM 81 CD1 ILE A 5 6.725 -9.303 -4.576 1.00 53.31 C ATOM 0 H ILE A 5 4.106 -11.338 -4.978 1.00 13.40 H new ATOM 0 HA ILE A 5 5.431 -11.335 -7.613 1.00 63.12 H new ATOM 0 HB ILE A 5 6.638 -11.823 -4.858 1.00 5.41 H new ATOM 0 HG12 ILE A 5 8.114 -9.860 -6.095 1.00 41.15 H new ATOM 0 HG13 ILE A 5 6.505 -9.500 -6.688 1.00 41.15 H new ATOM 0 HG21 ILE A 5 8.774 -12.089 -6.056 1.00 51.10 H new ATOM 0 HG22 ILE A 5 7.596 -13.338 -6.526 1.00 51.10 H new ATOM 0 HG23 ILE A 5 7.915 -11.962 -7.609 1.00 51.10 H new ATOM 0 HD11 ILE A 5 6.986 -8.247 -4.644 1.00 53.31 H new ATOM 0 HD12 ILE A 5 5.659 -9.400 -4.371 1.00 53.31 H new ATOM 0 HD13 ILE A 5 7.293 -9.766 -3.769 1.00 53.31 H new ATOM 93 N LYS A 6 5.481 -13.850 -7.768 1.00 21.33 N ATOM 94 CA LYS A 6 5.287 -15.284 -7.947 1.00 34.35 C ATOM 95 C LYS A 6 6.582 -15.958 -8.387 1.00 70.24 C ATOM 96 O LYS A 6 7.384 -15.371 -9.114 1.00 2.40 O ATOM 97 CB LYS A 6 4.187 -15.546 -8.978 1.00 15.13 C ATOM 98 CG LYS A 6 2.951 -14.685 -8.780 1.00 74.43 C ATOM 99 CD LYS A 6 1.871 -15.018 -9.796 1.00 61.35 C ATOM 100 CE LYS A 6 2.252 -14.543 -11.190 1.00 52.22 C ATOM 101 NZ LYS A 6 1.053 -14.234 -12.018 1.00 31.32 N ATOM 0 H LYS A 6 5.917 -13.382 -8.562 1.00 21.33 H new ATOM 0 HA LYS A 6 4.986 -15.707 -6.988 1.00 34.35 H new ATOM 0 HB2 LYS A 6 4.587 -15.369 -9.977 1.00 15.13 H new ATOM 0 HB3 LYS A 6 3.899 -16.596 -8.931 1.00 15.13 H new ATOM 0 HG2 LYS A 6 2.562 -14.832 -7.773 1.00 74.43 H new ATOM 0 HG3 LYS A 6 3.222 -13.633 -8.867 1.00 74.43 H new ATOM 0 HD2 LYS A 6 1.703 -16.095 -9.811 1.00 61.35 H new ATOM 0 HD3 LYS A 6 0.932 -14.553 -9.496 1.00 61.35 H new ATOM 0 HE2 LYS A 6 2.878 -13.654 -11.112 1.00 52.22 H new ATOM 0 HE3 LYS A 6 2.847 -15.310 -11.685 1.00 52.22 H new ATOM 0 HZ1 LYS A 6 1.355 -13.914 -12.960 1.00 31.32 H new ATOM 0 HZ2 LYS A 6 0.468 -15.088 -12.114 1.00 31.32 H new ATOM 0 HZ3 LYS A 6 0.498 -13.484 -11.559 1.00 31.32 H new ATOM 115 N THR A 7 6.780 -17.196 -7.945 1.00 24.13 N ATOM 116 CA THR A 7 7.978 -17.950 -8.294 1.00 12.12 C ATOM 117 C THR A 7 7.664 -19.040 -9.312 1.00 33.44 C ATOM 118 O THR A 7 6.508 -19.238 -9.689 1.00 12.51 O ATOM 119 CB THR A 7 8.619 -18.594 -7.050 1.00 11.30 C ATOM 120 OG1 THR A 7 7.802 -19.672 -6.580 1.00 51.22 O ATOM 121 CG2 THR A 7 8.799 -17.567 -5.942 1.00 25.43 C ATOM 0 H THR A 7 6.126 -17.698 -7.344 1.00 24.13 H new ATOM 0 HA THR A 7 8.682 -17.241 -8.730 1.00 12.12 H new ATOM 0 HB THR A 7 9.600 -18.978 -7.331 1.00 11.30 H new ATOM 0 HG1 THR A 7 8.118 -19.962 -5.699 1.00 51.22 H new ATOM 0 HG21 THR A 7 9.253 -18.044 -5.074 1.00 25.43 H new ATOM 0 HG22 THR A 7 9.445 -16.762 -6.293 1.00 25.43 H new ATOM 0 HG23 THR A 7 7.828 -17.157 -5.664 1.00 25.43 H new ATOM 129 N LEU A 8 8.698 -19.747 -9.753 1.00 24.24 N ATOM 130 CA LEU A 8 8.533 -20.820 -10.727 1.00 54.13 C ATOM 131 C LEU A 8 7.692 -21.954 -10.151 1.00 33.33 C ATOM 132 O LEU A 8 7.072 -22.721 -10.889 1.00 42.34 O ATOM 133 CB LEU A 8 9.898 -21.353 -11.165 1.00 73.32 C ATOM 134 CG LEU A 8 10.573 -22.336 -10.208 1.00 11.02 C ATOM 135 CD1 LEU A 8 11.800 -22.956 -10.857 1.00 62.23 C ATOM 136 CD2 LEU A 8 10.949 -21.641 -8.908 1.00 3.54 C ATOM 0 H LEU A 8 9.661 -19.596 -9.451 1.00 24.24 H new ATOM 0 HA LEU A 8 8.014 -20.413 -11.595 1.00 54.13 H new ATOM 0 HB2 LEU A 8 9.782 -21.841 -12.133 1.00 73.32 H new ATOM 0 HB3 LEU A 8 10.566 -20.505 -11.314 1.00 73.32 H new ATOM 0 HG LEU A 8 9.866 -23.134 -9.979 1.00 11.02 H new ATOM 0 HD11 LEU A 8 12.267 -23.653 -10.161 1.00 62.23 H new ATOM 0 HD12 LEU A 8 11.504 -23.489 -11.760 1.00 62.23 H new ATOM 0 HD13 LEU A 8 12.510 -22.171 -11.116 1.00 62.23 H new ATOM 0 HD21 LEU A 8 11.428 -22.356 -8.239 1.00 3.54 H new ATOM 0 HD22 LEU A 8 11.638 -20.823 -9.119 1.00 3.54 H new ATOM 0 HD23 LEU A 8 10.051 -21.246 -8.434 1.00 3.54 H new ATOM 148 N THR A 9 7.672 -22.055 -8.825 1.00 63.22 N ATOM 149 CA THR A 9 6.907 -23.095 -8.149 1.00 12.21 C ATOM 150 C THR A 9 5.447 -22.687 -7.989 1.00 12.40 C ATOM 151 O THR A 9 4.605 -23.495 -7.600 1.00 61.01 O ATOM 152 CB THR A 9 7.494 -23.412 -6.761 1.00 23.02 C ATOM 153 OG1 THR A 9 7.573 -22.216 -5.977 1.00 70.12 O ATOM 154 CG2 THR A 9 8.877 -24.033 -6.888 1.00 22.15 C ATOM 0 H THR A 9 8.177 -21.429 -8.198 1.00 63.22 H new ATOM 0 HA THR A 9 6.966 -23.987 -8.773 1.00 12.21 H new ATOM 0 HB THR A 9 6.836 -24.127 -6.267 1.00 23.02 H new ATOM 0 HG1 THR A 9 7.415 -21.438 -6.551 1.00 70.12 H new ATOM 0 HG21 THR A 9 9.272 -24.248 -5.895 1.00 22.15 H new ATOM 0 HG22 THR A 9 8.809 -24.958 -7.460 1.00 22.15 H new ATOM 0 HG23 THR A 9 9.542 -23.338 -7.400 1.00 22.15 H new ATOM 162 N GLY A 10 5.153 -21.426 -8.293 1.00 12.25 N ATOM 163 CA GLY A 10 3.793 -20.933 -8.176 1.00 51.44 C ATOM 164 C GLY A 10 3.483 -20.409 -6.788 1.00 35.40 C ATOM 165 O GLY A 10 2.318 -20.284 -6.409 1.00 72.21 O ATOM 0 H GLY A 10 5.832 -20.738 -8.618 1.00 12.25 H new ATOM 0 HA2 GLY A 10 3.634 -20.138 -8.905 1.00 51.44 H new ATOM 0 HA3 GLY A 10 3.097 -21.735 -8.422 1.00 51.44 H new ATOM 169 N LYS A 11 4.527 -20.104 -6.025 1.00 51.04 N ATOM 170 CA LYS A 11 4.362 -19.592 -4.670 1.00 53.33 C ATOM 171 C LYS A 11 3.941 -18.126 -4.690 1.00 52.34 C ATOM 172 O LYS A 11 4.239 -17.396 -5.637 1.00 14.14 O ATOM 173 CB LYS A 11 5.664 -19.749 -3.881 1.00 54.24 C ATOM 174 CG LYS A 11 5.460 -19.808 -2.377 1.00 40.34 C ATOM 175 CD LYS A 11 5.251 -21.234 -1.898 1.00 62.54 C ATOM 176 CE LYS A 11 5.277 -21.322 -0.380 1.00 63.21 C ATOM 177 NZ LYS A 11 5.719 -22.664 0.090 1.00 35.44 N ATOM 0 H LYS A 11 5.498 -20.203 -6.323 1.00 51.04 H new ATOM 0 HA LYS A 11 3.577 -20.171 -4.183 1.00 53.33 H new ATOM 0 HB2 LYS A 11 6.169 -20.658 -4.207 1.00 54.24 H new ATOM 0 HB3 LYS A 11 6.325 -18.915 -4.117 1.00 54.24 H new ATOM 0 HG2 LYS A 11 6.326 -19.378 -1.874 1.00 40.34 H new ATOM 0 HG3 LYS A 11 4.598 -19.201 -2.102 1.00 40.34 H new ATOM 0 HD2 LYS A 11 4.296 -21.607 -2.269 1.00 62.54 H new ATOM 0 HD3 LYS A 11 6.027 -21.876 -2.314 1.00 62.54 H new ATOM 0 HE2 LYS A 11 5.947 -20.559 0.017 1.00 63.21 H new ATOM 0 HE3 LYS A 11 4.283 -21.109 0.013 1.00 63.21 H new ATOM 0 HZ1 LYS A 11 5.723 -22.684 1.130 1.00 35.44 H new ATOM 0 HZ2 LYS A 11 5.065 -23.390 -0.267 1.00 35.44 H new ATOM 0 HZ3 LYS A 11 6.678 -22.857 -0.264 1.00 35.44 H new ATOM 191 N THR A 12 3.247 -17.699 -3.639 1.00 63.24 N ATOM 192 CA THR A 12 2.786 -16.321 -3.536 1.00 40.43 C ATOM 193 C THR A 12 3.608 -15.540 -2.517 1.00 23.40 C ATOM 194 O THR A 12 3.523 -15.791 -1.314 1.00 61.24 O ATOM 195 CB THR A 12 1.299 -16.254 -3.139 1.00 43.20 C ATOM 196 OG1 THR A 12 0.507 -16.984 -4.082 1.00 31.10 O ATOM 197 CG2 THR A 12 0.820 -14.811 -3.076 1.00 23.31 C ATOM 0 H THR A 12 2.992 -18.289 -2.847 1.00 63.24 H new ATOM 0 HA THR A 12 2.912 -15.872 -4.521 1.00 40.43 H new ATOM 0 HB THR A 12 1.189 -16.700 -2.151 1.00 43.20 H new ATOM 0 HG1 THR A 12 -0.437 -16.938 -3.822 1.00 31.10 H new ATOM 0 HG21 THR A 12 -0.233 -14.789 -2.794 1.00 23.31 H new ATOM 0 HG22 THR A 12 1.405 -14.265 -2.336 1.00 23.31 H new ATOM 0 HG23 THR A 12 0.944 -14.344 -4.053 1.00 23.31 H new ATOM 205 N ILE A 13 4.403 -14.594 -3.005 1.00 0.13 N ATOM 206 CA ILE A 13 5.239 -13.776 -2.135 1.00 20.02 C ATOM 207 C ILE A 13 4.864 -12.302 -2.239 1.00 52.32 C ATOM 208 O ILE A 13 4.946 -11.703 -3.312 1.00 54.41 O ATOM 209 CB ILE A 13 6.733 -13.939 -2.473 1.00 74.34 C ATOM 210 CG1 ILE A 13 7.101 -15.422 -2.550 1.00 63.24 C ATOM 211 CG2 ILE A 13 7.591 -13.227 -1.439 1.00 21.44 C ATOM 212 CD1 ILE A 13 8.554 -15.667 -2.893 1.00 43.40 C ATOM 0 H ILE A 13 4.486 -14.375 -3.998 1.00 0.13 H new ATOM 0 HA ILE A 13 5.066 -14.122 -1.116 1.00 20.02 H new ATOM 0 HB ILE A 13 6.922 -13.486 -3.446 1.00 74.34 H new ATOM 0 HG12 ILE A 13 6.877 -15.894 -1.593 1.00 63.24 H new ATOM 0 HG13 ILE A 13 6.473 -15.906 -3.298 1.00 63.24 H new ATOM 0 HG21 ILE A 13 8.644 -13.352 -1.692 1.00 21.44 H new ATOM 0 HG22 ILE A 13 7.343 -12.166 -1.429 1.00 21.44 H new ATOM 0 HG23 ILE A 13 7.402 -13.653 -0.454 1.00 21.44 H new ATOM 0 HD11 ILE A 13 8.743 -16.740 -2.930 1.00 43.40 H new ATOM 0 HD12 ILE A 13 8.778 -15.225 -3.864 1.00 43.40 H new ATOM 0 HD13 ILE A 13 9.189 -15.213 -2.132 1.00 43.40 H new ATOM 224 N THR A 14 4.453 -11.720 -1.116 1.00 62.14 N ATOM 225 CA THR A 14 4.066 -10.316 -1.081 1.00 11.45 C ATOM 226 C THR A 14 4.655 -9.614 0.138 1.00 40.23 C ATOM 227 O THR A 14 4.407 -10.012 1.275 1.00 15.44 O ATOM 228 CB THR A 14 2.534 -10.156 -1.060 1.00 40.52 C ATOM 229 OG1 THR A 14 2.016 -10.565 0.210 1.00 35.21 O ATOM 230 CG2 THR A 14 1.889 -10.978 -2.166 1.00 3.31 C ATOM 0 H THR A 14 4.380 -12.200 -0.219 1.00 62.14 H new ATOM 0 HA THR A 14 4.460 -9.857 -1.988 1.00 11.45 H new ATOM 0 HB THR A 14 2.298 -9.105 -1.226 1.00 40.52 H new ATOM 0 HG1 THR A 14 2.704 -10.447 0.898 1.00 35.21 H new ATOM 0 HG21 THR A 14 0.807 -10.849 -2.131 1.00 3.31 H new ATOM 0 HG22 THR A 14 2.263 -10.644 -3.133 1.00 3.31 H new ATOM 0 HG23 THR A 14 2.134 -12.031 -2.027 1.00 3.31 H new ATOM 238 N ALA A 15 5.436 -8.567 -0.108 1.00 63.24 N ATOM 239 CA ALA A 15 6.058 -7.808 0.969 1.00 25.23 C ATOM 240 C ALA A 15 6.445 -6.409 0.503 1.00 2.20 C ATOM 241 O ALA A 15 6.937 -6.230 -0.611 1.00 22.24 O ATOM 242 CB ALA A 15 7.279 -8.547 1.498 1.00 2.53 C ATOM 0 H ALA A 15 5.653 -8.225 -1.044 1.00 63.24 H new ATOM 0 HA ALA A 15 5.331 -7.705 1.775 1.00 25.23 H new ATOM 0 HB1 ALA A 15 7.734 -7.969 2.302 1.00 2.53 H new ATOM 0 HB2 ALA A 15 6.977 -9.523 1.879 1.00 2.53 H new ATOM 0 HB3 ALA A 15 8.001 -8.679 0.693 1.00 2.53 H new ATOM 248 N GLU A 16 6.219 -5.420 1.362 1.00 14.11 N ATOM 249 CA GLU A 16 6.543 -4.036 1.036 1.00 75.12 C ATOM 250 C GLU A 16 8.036 -3.773 1.205 1.00 41.34 C ATOM 251 O GLU A 16 8.667 -4.279 2.133 1.00 62.32 O ATOM 252 CB GLU A 16 5.741 -3.079 1.921 1.00 25.10 C ATOM 253 CG GLU A 16 5.926 -1.615 1.558 1.00 62.33 C ATOM 254 CD GLU A 16 4.931 -0.710 2.258 1.00 24.43 C ATOM 255 OE1 GLU A 16 3.722 -1.018 2.221 1.00 34.50 O ATOM 256 OE2 GLU A 16 5.362 0.305 2.843 1.00 11.31 O ATOM 0 H GLU A 16 5.813 -5.551 2.288 1.00 14.11 H new ATOM 0 HA GLU A 16 6.277 -3.863 -0.007 1.00 75.12 H new ATOM 0 HB2 GLU A 16 4.683 -3.332 1.849 1.00 25.10 H new ATOM 0 HB3 GLU A 16 6.034 -3.227 2.960 1.00 25.10 H new ATOM 0 HG2 GLU A 16 6.938 -1.305 1.818 1.00 62.33 H new ATOM 0 HG3 GLU A 16 5.823 -1.496 0.479 1.00 62.33 H new ATOM 263 N THR A 17 8.597 -2.976 0.300 1.00 74.35 N ATOM 264 CA THR A 17 10.015 -2.646 0.346 1.00 64.31 C ATOM 265 C THR A 17 10.231 -1.138 0.293 1.00 61.22 C ATOM 266 O THR A 17 9.288 -0.374 0.092 1.00 74.33 O ATOM 267 CB THR A 17 10.784 -3.304 -0.816 1.00 34.53 C ATOM 268 OG1 THR A 17 12.193 -3.122 -0.637 1.00 55.10 O ATOM 269 CG2 THR A 17 10.356 -2.714 -2.151 1.00 12.12 C ATOM 0 H THR A 17 8.089 -2.547 -0.474 1.00 74.35 H new ATOM 0 HA THR A 17 10.398 -3.032 1.290 1.00 64.31 H new ATOM 0 HB THR A 17 10.554 -4.369 -0.818 1.00 34.53 H new ATOM 0 HG1 THR A 17 12.423 -3.255 0.306 1.00 55.10 H new ATOM 0 HG21 THR A 17 10.912 -3.194 -2.956 1.00 12.12 H new ATOM 0 HG22 THR A 17 9.289 -2.881 -2.297 1.00 12.12 H new ATOM 0 HG23 THR A 17 10.560 -1.643 -2.158 1.00 12.12 H new ATOM 277 N GLU A 18 11.479 -0.717 0.474 1.00 51.42 N ATOM 278 CA GLU A 18 11.817 0.702 0.446 1.00 31.42 C ATOM 279 C GLU A 18 12.143 1.156 -0.974 1.00 23.44 C ATOM 280 O GLU A 18 12.626 0.385 -1.803 1.00 70.34 O ATOM 281 CB GLU A 18 13.004 0.984 1.369 1.00 22.43 C ATOM 282 CG GLU A 18 12.607 1.598 2.701 1.00 44.20 C ATOM 283 CD GLU A 18 11.496 0.830 3.390 1.00 51.43 C ATOM 284 OE1 GLU A 18 10.675 1.469 4.081 1.00 73.10 O ATOM 285 OE2 GLU A 18 11.447 -0.408 3.238 1.00 22.01 O ATOM 0 H GLU A 18 12.272 -1.337 0.641 1.00 51.42 H new ATOM 0 HA GLU A 18 10.951 1.263 0.798 1.00 31.42 H new ATOM 0 HB2 GLU A 18 13.540 0.053 1.553 1.00 22.43 H new ATOM 0 HB3 GLU A 18 13.697 1.655 0.861 1.00 22.43 H new ATOM 0 HG2 GLU A 18 13.479 1.633 3.355 1.00 44.20 H new ATOM 0 HG3 GLU A 18 12.287 2.628 2.541 1.00 44.20 H new ATOM 292 N PRO A 19 11.873 2.438 -1.261 1.00 64.41 N ATOM 293 CA PRO A 19 12.130 3.024 -2.580 1.00 10.12 C ATOM 294 C PRO A 19 13.620 3.171 -2.869 1.00 71.21 C ATOM 295 O PRO A 19 14.016 3.486 -3.991 1.00 11.33 O ATOM 296 CB PRO A 19 11.464 4.400 -2.492 1.00 24.22 C ATOM 297 CG PRO A 19 11.458 4.725 -1.038 1.00 42.31 C ATOM 298 CD PRO A 19 11.298 3.414 -0.321 1.00 35.43 C ATOM 0 HA PRO A 19 11.745 2.399 -3.386 1.00 10.12 H new ATOM 0 HB2 PRO A 19 12.018 5.145 -3.062 1.00 24.22 H new ATOM 0 HB3 PRO A 19 10.452 4.377 -2.897 1.00 24.22 H new ATOM 0 HG2 PRO A 19 12.384 5.219 -0.745 1.00 42.31 H new ATOM 0 HG3 PRO A 19 10.642 5.405 -0.794 1.00 42.31 H new ATOM 0 HD2 PRO A 19 11.825 3.411 0.633 1.00 35.43 H new ATOM 0 HD3 PRO A 19 10.251 3.198 -0.108 1.00 35.43 H new ATOM 306 N ALA A 20 14.441 2.939 -1.850 1.00 44.34 N ATOM 307 CA ALA A 20 15.888 3.043 -1.997 1.00 11.44 C ATOM 308 C ALA A 20 16.528 1.665 -2.119 1.00 31.34 C ATOM 309 O ALA A 20 17.597 1.517 -2.710 1.00 53.22 O ATOM 310 CB ALA A 20 16.484 3.802 -0.820 1.00 61.11 C ATOM 0 H ALA A 20 14.129 2.678 -0.915 1.00 44.34 H new ATOM 0 HA ALA A 20 16.097 3.594 -2.914 1.00 11.44 H new ATOM 0 HB1 ALA A 20 17.565 3.872 -0.942 1.00 61.11 H new ATOM 0 HB2 ALA A 20 16.057 4.804 -0.780 1.00 61.11 H new ATOM 0 HB3 ALA A 20 16.257 3.274 0.106 1.00 61.11 H new ATOM 316 N GLU A 21 15.867 0.658 -1.554 1.00 42.44 N ATOM 317 CA GLU A 21 16.374 -0.708 -1.600 1.00 20.14 C ATOM 318 C GLU A 21 15.254 -1.693 -1.922 1.00 21.44 C ATOM 319 O GLU A 21 14.903 -2.542 -1.102 1.00 31.44 O ATOM 320 CB GLU A 21 17.026 -1.078 -0.266 1.00 30.23 C ATOM 321 CG GLU A 21 18.463 -0.603 -0.138 1.00 45.22 C ATOM 322 CD GLU A 21 18.577 0.724 0.588 1.00 61.50 C ATOM 323 OE1 GLU A 21 18.195 0.783 1.776 1.00 44.53 O ATOM 324 OE2 GLU A 21 19.047 1.701 -0.031 1.00 10.03 O ATOM 0 H GLU A 21 14.981 0.763 -1.060 1.00 42.44 H new ATOM 0 HA GLU A 21 17.123 -0.765 -2.390 1.00 20.14 H new ATOM 0 HB2 GLU A 21 16.438 -0.652 0.547 1.00 30.23 H new ATOM 0 HB3 GLU A 21 16.998 -2.161 -0.146 1.00 30.23 H new ATOM 0 HG2 GLU A 21 19.044 -1.355 0.395 1.00 45.22 H new ATOM 0 HG3 GLU A 21 18.900 -0.508 -1.132 1.00 45.22 H new ATOM 331 N THR A 22 14.696 -1.574 -3.122 1.00 54.12 N ATOM 332 CA THR A 22 13.615 -2.451 -3.553 1.00 72.41 C ATOM 333 C THR A 22 14.142 -3.834 -3.920 1.00 41.22 C ATOM 334 O THR A 22 13.646 -4.849 -3.431 1.00 11.41 O ATOM 335 CB THR A 22 12.862 -1.864 -4.762 1.00 2.12 C ATOM 336 OG1 THR A 22 12.046 -0.764 -4.343 1.00 61.15 O ATOM 337 CG2 THR A 22 11.994 -2.922 -5.426 1.00 23.34 C ATOM 0 H THR A 22 14.975 -0.878 -3.813 1.00 54.12 H new ATOM 0 HA THR A 22 12.926 -2.538 -2.713 1.00 72.41 H new ATOM 0 HB THR A 22 13.598 -1.515 -5.486 1.00 2.12 H new ATOM 0 HG1 THR A 22 12.339 -0.458 -3.459 1.00 61.15 H new ATOM 0 HG21 THR A 22 11.473 -2.483 -6.277 1.00 23.34 H new ATOM 0 HG22 THR A 22 12.622 -3.744 -5.770 1.00 23.34 H new ATOM 0 HG23 THR A 22 11.265 -3.298 -4.708 1.00 23.34 H new ATOM 345 N VAL A 23 15.152 -3.867 -4.784 1.00 54.24 N ATOM 346 CA VAL A 23 15.748 -5.125 -5.216 1.00 32.42 C ATOM 347 C VAL A 23 16.638 -5.714 -4.127 1.00 10.42 C ATOM 348 O VAL A 23 16.553 -6.901 -3.816 1.00 22.21 O ATOM 349 CB VAL A 23 16.579 -4.942 -6.499 1.00 40.24 C ATOM 350 CG1 VAL A 23 17.120 -6.279 -6.981 1.00 60.33 C ATOM 351 CG2 VAL A 23 15.746 -4.273 -7.582 1.00 73.12 C ATOM 0 H VAL A 23 15.574 -3.036 -5.198 1.00 54.24 H new ATOM 0 HA VAL A 23 14.926 -5.811 -5.420 1.00 32.42 H new ATOM 0 HB VAL A 23 17.427 -4.295 -6.273 1.00 40.24 H new ATOM 0 HG11 VAL A 23 17.705 -6.129 -7.889 1.00 60.33 H new ATOM 0 HG12 VAL A 23 17.754 -6.715 -6.209 1.00 60.33 H new ATOM 0 HG13 VAL A 23 16.290 -6.953 -7.191 1.00 60.33 H new ATOM 0 HG21 VAL A 23 16.349 -4.151 -8.482 1.00 73.12 H new ATOM 0 HG22 VAL A 23 14.878 -4.892 -7.808 1.00 73.12 H new ATOM 0 HG23 VAL A 23 15.413 -3.295 -7.233 1.00 73.12 H new ATOM 361 N ALA A 24 17.491 -4.874 -3.550 1.00 3.30 N ATOM 362 CA ALA A 24 18.396 -5.310 -2.493 1.00 52.44 C ATOM 363 C ALA A 24 17.630 -5.978 -1.356 1.00 43.23 C ATOM 364 O ALA A 24 18.106 -6.942 -0.758 1.00 23.54 O ATOM 365 CB ALA A 24 19.201 -4.130 -1.968 1.00 64.44 C ATOM 0 H ALA A 24 17.574 -3.888 -3.797 1.00 3.30 H new ATOM 0 HA ALA A 24 19.082 -6.045 -2.915 1.00 52.44 H new ATOM 0 HB1 ALA A 24 19.872 -4.470 -1.179 1.00 64.44 H new ATOM 0 HB2 ALA A 24 19.785 -3.698 -2.781 1.00 64.44 H new ATOM 0 HB3 ALA A 24 18.523 -3.376 -1.567 1.00 64.44 H new ATOM 371 N ASP A 25 16.443 -5.459 -1.064 1.00 1.35 N ATOM 372 CA ASP A 25 15.611 -6.006 0.002 1.00 2.41 C ATOM 373 C ASP A 25 15.184 -7.434 -0.321 1.00 23.12 C ATOM 374 O ASP A 25 15.336 -8.339 0.501 1.00 70.54 O ATOM 375 CB ASP A 25 14.377 -5.127 0.217 1.00 64.53 C ATOM 376 CG ASP A 25 14.614 -4.037 1.243 1.00 21.44 C ATOM 377 OD1 ASP A 25 13.629 -3.396 1.666 1.00 2.00 O ATOM 378 OD2 ASP A 25 15.784 -3.826 1.625 1.00 21.40 O ATOM 0 H ASP A 25 16.035 -4.660 -1.550 1.00 1.35 H new ATOM 0 HA ASP A 25 16.201 -6.021 0.919 1.00 2.41 H new ATOM 0 HB2 ASP A 25 14.088 -4.673 -0.731 1.00 64.53 H new ATOM 0 HB3 ASP A 25 13.543 -5.750 0.539 1.00 64.53 H new ATOM 383 N LEU A 26 14.649 -7.629 -1.521 1.00 31.12 N ATOM 384 CA LEU A 26 14.199 -8.948 -1.953 1.00 15.25 C ATOM 385 C LEU A 26 15.380 -9.895 -2.131 1.00 63.34 C ATOM 386 O LEU A 26 15.251 -11.107 -1.954 1.00 4.23 O ATOM 387 CB LEU A 26 13.416 -8.838 -3.262 1.00 52.52 C ATOM 388 CG LEU A 26 12.201 -9.756 -3.397 1.00 53.13 C ATOM 389 CD1 LEU A 26 11.193 -9.473 -2.294 1.00 74.13 C ATOM 390 CD2 LEU A 26 11.557 -9.591 -4.766 1.00 51.31 C ATOM 0 H LEU A 26 14.516 -6.891 -2.212 1.00 31.12 H new ATOM 0 HA LEU A 26 13.546 -9.353 -1.180 1.00 15.25 H new ATOM 0 HB2 LEU A 26 13.082 -7.807 -3.376 1.00 52.52 H new ATOM 0 HB3 LEU A 26 14.097 -9.046 -4.088 1.00 52.52 H new ATOM 0 HG LEU A 26 12.537 -10.788 -3.298 1.00 53.13 H new ATOM 0 HD11 LEU A 26 10.335 -10.136 -2.406 1.00 74.13 H new ATOM 0 HD12 LEU A 26 11.658 -9.643 -1.323 1.00 74.13 H new ATOM 0 HD13 LEU A 26 10.862 -8.437 -2.361 1.00 74.13 H new ATOM 0 HD21 LEU A 26 10.694 -10.252 -4.844 1.00 51.31 H new ATOM 0 HD22 LEU A 26 11.235 -8.558 -4.895 1.00 51.31 H new ATOM 0 HD23 LEU A 26 12.280 -9.845 -5.541 1.00 51.31 H new ATOM 402 N LYS A 27 16.533 -9.335 -2.482 1.00 61.41 N ATOM 403 CA LYS A 27 17.740 -10.129 -2.682 1.00 1.43 C ATOM 404 C LYS A 27 18.263 -10.668 -1.354 1.00 13.30 C ATOM 405 O LYS A 27 18.583 -11.850 -1.238 1.00 32.34 O ATOM 406 CB LYS A 27 18.821 -9.287 -3.364 1.00 3.04 C ATOM 407 CG LYS A 27 18.531 -8.992 -4.825 1.00 62.41 C ATOM 408 CD LYS A 27 19.691 -9.401 -5.717 1.00 62.23 C ATOM 409 CE LYS A 27 20.892 -8.487 -5.525 1.00 35.12 C ATOM 410 NZ LYS A 27 20.650 -7.129 -6.085 1.00 53.32 N ATOM 0 H LYS A 27 16.657 -8.334 -2.634 1.00 61.41 H new ATOM 0 HA LYS A 27 17.487 -10.974 -3.323 1.00 1.43 H new ATOM 0 HB2 LYS A 27 18.929 -8.345 -2.826 1.00 3.04 H new ATOM 0 HB3 LYS A 27 19.776 -9.808 -3.290 1.00 3.04 H new ATOM 0 HG2 LYS A 27 17.630 -9.523 -5.132 1.00 62.41 H new ATOM 0 HG3 LYS A 27 18.332 -7.928 -4.950 1.00 62.41 H new ATOM 0 HD2 LYS A 27 19.976 -10.429 -5.496 1.00 62.23 H new ATOM 0 HD3 LYS A 27 19.376 -9.375 -6.760 1.00 62.23 H new ATOM 0 HE2 LYS A 27 21.121 -8.406 -4.462 1.00 35.12 H new ATOM 0 HE3 LYS A 27 21.765 -8.928 -6.006 1.00 35.12 H new ATOM 0 HZ1 LYS A 27 21.547 -6.603 -6.120 1.00 53.32 H new ATOM 0 HZ2 LYS A 27 20.260 -7.214 -7.046 1.00 53.32 H new ATOM 0 HZ3 LYS A 27 19.974 -6.620 -5.481 1.00 53.32 H new ATOM 424 N GLN A 28 18.345 -9.793 -0.356 1.00 73.25 N ATOM 425 CA GLN A 28 18.828 -10.183 0.963 1.00 73.11 C ATOM 426 C GLN A 28 17.792 -11.031 1.693 1.00 34.31 C ATOM 427 O GLN A 28 18.123 -12.052 2.296 1.00 33.15 O ATOM 428 CB GLN A 28 19.166 -8.943 1.793 1.00 74.25 C ATOM 429 CG GLN A 28 19.550 -9.259 3.229 1.00 44.41 C ATOM 430 CD GLN A 28 19.919 -8.019 4.020 1.00 60.10 C ATOM 431 OE1 GLN A 28 20.226 -6.972 3.449 1.00 72.44 O ATOM 432 NE2 GLN A 28 19.891 -8.131 5.343 1.00 52.41 N ATOM 0 H GLN A 28 18.083 -8.810 -0.436 1.00 73.25 H new ATOM 0 HA GLN A 28 19.731 -10.779 0.830 1.00 73.11 H new ATOM 0 HB2 GLN A 28 19.987 -8.409 1.315 1.00 74.25 H new ATOM 0 HB3 GLN A 28 18.307 -8.272 1.795 1.00 74.25 H new ATOM 0 HG2 GLN A 28 18.719 -9.765 3.720 1.00 44.41 H new ATOM 0 HG3 GLN A 28 20.392 -9.951 3.232 1.00 44.41 H new ATOM 0 HE21 GLN A 28 19.631 -9.018 5.774 1.00 52.41 H new ATOM 0 HE22 GLN A 28 20.130 -7.330 5.928 1.00 52.41 H new ATOM 441 N LYS A 29 16.536 -10.602 1.635 1.00 55.11 N ATOM 442 CA LYS A 29 15.449 -11.321 2.290 1.00 64.44 C ATOM 443 C LYS A 29 15.398 -12.772 1.821 1.00 31.24 C ATOM 444 O LYS A 29 15.336 -13.695 2.635 1.00 54.42 O ATOM 445 CB LYS A 29 14.111 -10.635 2.006 1.00 64.03 C ATOM 446 CG LYS A 29 13.791 -9.505 2.969 1.00 42.14 C ATOM 447 CD LYS A 29 12.292 -9.320 3.133 1.00 71.13 C ATOM 448 CE LYS A 29 11.674 -8.662 1.908 1.00 21.33 C ATOM 449 NZ LYS A 29 11.375 -9.653 0.838 1.00 35.40 N ATOM 0 H LYS A 29 16.245 -9.759 1.140 1.00 55.11 H new ATOM 0 HA LYS A 29 15.634 -11.310 3.364 1.00 64.44 H new ATOM 0 HB2 LYS A 29 14.122 -10.243 0.989 1.00 64.03 H new ATOM 0 HB3 LYS A 29 13.314 -11.377 2.053 1.00 64.03 H new ATOM 0 HG2 LYS A 29 14.241 -9.714 3.939 1.00 42.14 H new ATOM 0 HG3 LYS A 29 14.235 -8.579 2.605 1.00 42.14 H new ATOM 0 HD2 LYS A 29 11.821 -10.288 3.304 1.00 71.13 H new ATOM 0 HD3 LYS A 29 12.094 -8.710 4.014 1.00 71.13 H new ATOM 0 HE2 LYS A 29 10.756 -8.150 2.195 1.00 21.33 H new ATOM 0 HE3 LYS A 29 12.355 -7.904 1.521 1.00 21.33 H new ATOM 0 HZ1 LYS A 29 10.610 -9.291 0.233 1.00 35.40 H new ATOM 0 HZ2 LYS A 29 12.227 -9.810 0.262 1.00 35.40 H new ATOM 0 HZ3 LYS A 29 11.079 -10.552 1.270 1.00 35.40 H new ATOM 463 N ILE A 30 15.426 -12.966 0.507 1.00 33.43 N ATOM 464 CA ILE A 30 15.385 -14.305 -0.068 1.00 31.23 C ATOM 465 C ILE A 30 16.710 -15.032 0.136 1.00 42.53 C ATOM 466 O ILE A 30 16.744 -16.252 0.286 1.00 32.43 O ATOM 467 CB ILE A 30 15.062 -14.262 -1.573 1.00 12.11 C ATOM 468 CG1 ILE A 30 13.718 -13.569 -1.809 1.00 20.24 C ATOM 469 CG2 ILE A 30 15.048 -15.669 -2.152 1.00 54.42 C ATOM 470 CD1 ILE A 30 13.460 -13.229 -3.260 1.00 32.32 C ATOM 0 H ILE A 30 15.477 -12.213 -0.179 1.00 33.43 H new ATOM 0 HA ILE A 30 14.593 -14.846 0.450 1.00 31.23 H new ATOM 0 HB ILE A 30 15.838 -13.689 -2.080 1.00 12.11 H new ATOM 0 HG12 ILE A 30 12.917 -14.214 -1.448 1.00 20.24 H new ATOM 0 HG13 ILE A 30 13.681 -12.654 -1.218 1.00 20.24 H new ATOM 0 HG21 ILE A 30 14.818 -15.622 -3.216 1.00 54.42 H new ATOM 0 HG22 ILE A 30 16.026 -16.130 -2.012 1.00 54.42 H new ATOM 0 HG23 ILE A 30 14.290 -16.264 -1.643 1.00 54.42 H new ATOM 0 HD11 ILE A 30 12.490 -12.740 -3.352 1.00 32.32 H new ATOM 0 HD12 ILE A 30 14.240 -12.558 -3.621 1.00 32.32 H new ATOM 0 HD13 ILE A 30 13.464 -14.143 -3.854 1.00 32.32 H new ATOM 482 N ALA A 31 17.800 -14.272 0.141 1.00 44.54 N ATOM 483 CA ALA A 31 19.128 -14.842 0.330 1.00 44.04 C ATOM 484 C ALA A 31 19.214 -15.610 1.644 1.00 1.45 C ATOM 485 O ALA A 31 19.647 -16.762 1.675 1.00 53.25 O ATOM 486 CB ALA A 31 20.184 -13.747 0.286 1.00 62.35 C ATOM 0 H ALA A 31 17.789 -13.260 0.016 1.00 44.54 H new ATOM 0 HA ALA A 31 19.314 -15.544 -0.483 1.00 44.04 H new ATOM 0 HB1 ALA A 31 21.171 -14.187 0.429 1.00 62.35 H new ATOM 0 HB2 ALA A 31 20.147 -13.245 -0.681 1.00 62.35 H new ATOM 0 HB3 ALA A 31 19.991 -13.024 1.078 1.00 62.35 H new ATOM 492 N ASP A 32 18.800 -14.964 2.729 1.00 2.21 N ATOM 493 CA ASP A 32 18.830 -15.586 4.048 1.00 60.25 C ATOM 494 C ASP A 32 17.688 -16.585 4.203 1.00 74.12 C ATOM 495 O ASP A 32 17.765 -17.513 5.009 1.00 55.24 O ATOM 496 CB ASP A 32 18.744 -14.520 5.141 1.00 54.25 C ATOM 497 CG ASP A 32 19.332 -14.990 6.456 1.00 32.32 C ATOM 498 OD1 ASP A 32 20.051 -16.012 6.454 1.00 50.54 O ATOM 499 OD2 ASP A 32 19.074 -14.337 7.488 1.00 13.24 O ATOM 0 H ASP A 32 18.440 -14.010 2.721 1.00 2.21 H new ATOM 0 HA ASP A 32 19.774 -16.122 4.148 1.00 60.25 H new ATOM 0 HB2 ASP A 32 19.269 -13.623 4.812 1.00 54.25 H new ATOM 0 HB3 ASP A 32 17.701 -14.242 5.292 1.00 54.25 H new ATOM 504 N LYS A 33 16.627 -16.389 3.427 1.00 42.34 N ATOM 505 CA LYS A 33 15.468 -17.272 3.477 1.00 52.54 C ATOM 506 C LYS A 33 15.791 -18.629 2.861 1.00 31.44 C ATOM 507 O LYS A 33 15.370 -19.667 3.371 1.00 22.24 O ATOM 508 CB LYS A 33 14.285 -16.636 2.743 1.00 51.34 C ATOM 509 CG LYS A 33 13.075 -17.547 2.635 1.00 32.32 C ATOM 510 CD LYS A 33 12.476 -17.842 4.000 1.00 32.31 C ATOM 511 CE LYS A 33 11.751 -19.179 4.013 1.00 35.14 C ATOM 512 NZ LYS A 33 10.548 -19.166 3.136 1.00 73.44 N ATOM 0 H LYS A 33 16.546 -15.626 2.755 1.00 42.34 H new ATOM 0 HA LYS A 33 15.201 -17.422 4.523 1.00 52.54 H new ATOM 0 HB2 LYS A 33 13.996 -15.722 3.261 1.00 51.34 H new ATOM 0 HB3 LYS A 33 14.603 -16.348 1.741 1.00 51.34 H new ATOM 0 HG2 LYS A 33 12.322 -17.080 2.000 1.00 32.32 H new ATOM 0 HG3 LYS A 33 13.364 -18.481 2.154 1.00 32.32 H new ATOM 0 HD2 LYS A 33 13.266 -17.848 4.752 1.00 32.31 H new ATOM 0 HD3 LYS A 33 11.782 -17.048 4.273 1.00 32.31 H new ATOM 0 HE2 LYS A 33 12.432 -19.964 3.684 1.00 35.14 H new ATOM 0 HE3 LYS A 33 11.454 -19.421 5.033 1.00 35.14 H new ATOM 0 HZ1 LYS A 33 10.082 -20.095 3.172 1.00 73.44 H new ATOM 0 HZ2 LYS A 33 9.887 -18.434 3.465 1.00 73.44 H new ATOM 0 HZ3 LYS A 33 10.834 -18.960 2.157 1.00 73.44 H new ATOM 526 N GLU A 34 16.541 -18.614 1.764 1.00 3.42 N ATOM 527 CA GLU A 34 16.921 -19.845 1.081 1.00 14.22 C ATOM 528 C GLU A 34 18.315 -20.295 1.506 1.00 24.21 C ATOM 529 O GLU A 34 18.728 -21.421 1.228 1.00 13.54 O ATOM 530 CB GLU A 34 16.877 -19.647 -0.435 1.00 75.35 C ATOM 531 CG GLU A 34 15.647 -20.252 -1.093 1.00 22.15 C ATOM 532 CD GLU A 34 14.376 -19.983 -0.311 1.00 30.12 C ATOM 533 OE1 GLU A 34 13.706 -20.960 0.085 1.00 54.14 O ATOM 534 OE2 GLU A 34 14.051 -18.797 -0.095 1.00 4.12 O ATOM 0 H GLU A 34 16.898 -17.763 1.329 1.00 3.42 H new ATOM 0 HA GLU A 34 16.207 -20.620 1.360 1.00 14.22 H new ATOM 0 HB2 GLU A 34 16.908 -18.580 -0.655 1.00 75.35 H new ATOM 0 HB3 GLU A 34 17.770 -20.090 -0.877 1.00 75.35 H new ATOM 0 HG2 GLU A 34 15.542 -19.848 -2.100 1.00 22.15 H new ATOM 0 HG3 GLU A 34 15.786 -21.328 -1.194 1.00 22.15 H new ATOM 541 N GLY A 35 19.038 -19.406 2.182 1.00 72.53 N ATOM 542 CA GLY A 35 20.378 -19.730 2.634 1.00 44.14 C ATOM 543 C GLY A 35 21.412 -19.582 1.535 1.00 61.21 C ATOM 544 O GLY A 35 22.492 -20.168 1.606 1.00 65.11 O ATOM 0 H GLY A 35 18.719 -18.468 2.424 1.00 72.53 H new ATOM 0 HA2 GLY A 35 20.644 -19.081 3.468 1.00 44.14 H new ATOM 0 HA3 GLY A 35 20.394 -20.753 3.009 1.00 44.14 H new ATOM 548 N VAL A 36 21.081 -18.798 0.514 1.00 15.10 N ATOM 549 CA VAL A 36 21.988 -18.575 -0.605 1.00 70.32 C ATOM 550 C VAL A 36 22.340 -17.098 -0.742 1.00 74.22 C ATOM 551 O VAL A 36 21.599 -16.215 -0.309 1.00 21.45 O ATOM 552 CB VAL A 36 21.378 -19.071 -1.930 1.00 31.44 C ATOM 553 CG1 VAL A 36 21.439 -20.589 -2.010 1.00 70.13 C ATOM 554 CG2 VAL A 36 19.946 -18.579 -2.074 1.00 11.23 C ATOM 0 H VAL A 36 20.190 -18.306 0.439 1.00 15.10 H new ATOM 0 HA VAL A 36 22.894 -19.143 -0.395 1.00 70.32 H new ATOM 0 HB VAL A 36 21.963 -18.663 -2.755 1.00 31.44 H new ATOM 0 HG11 VAL A 36 21.004 -20.921 -2.952 1.00 70.13 H new ATOM 0 HG12 VAL A 36 22.478 -20.915 -1.955 1.00 70.13 H new ATOM 0 HG13 VAL A 36 20.879 -21.020 -1.180 1.00 70.13 H new ATOM 0 HG21 VAL A 36 19.531 -18.939 -3.015 1.00 11.23 H new ATOM 0 HG22 VAL A 36 19.347 -18.956 -1.245 1.00 11.23 H new ATOM 0 HG23 VAL A 36 19.933 -17.489 -2.065 1.00 11.23 H new ATOM 564 N PRO A 37 23.497 -16.820 -1.360 1.00 62.43 N ATOM 565 CA PRO A 37 23.974 -15.450 -1.570 1.00 74.11 C ATOM 566 C PRO A 37 23.133 -14.694 -2.593 1.00 73.34 C ATOM 567 O PRO A 37 22.590 -15.288 -3.525 1.00 52.45 O ATOM 568 CB PRO A 37 25.400 -15.646 -2.090 1.00 71.11 C ATOM 569 CG PRO A 37 25.394 -17.000 -2.712 1.00 13.03 C ATOM 570 CD PRO A 37 24.430 -17.823 -1.902 1.00 53.25 C ATOM 0 HA PRO A 37 23.916 -14.854 -0.659 1.00 74.11 H new ATOM 0 HB2 PRO A 37 25.666 -14.878 -2.816 1.00 71.11 H new ATOM 0 HB3 PRO A 37 26.128 -15.585 -1.281 1.00 71.11 H new ATOM 0 HG2 PRO A 37 25.083 -16.949 -3.755 1.00 13.03 H new ATOM 0 HG3 PRO A 37 26.391 -17.440 -2.698 1.00 13.03 H new ATOM 0 HD2 PRO A 37 23.915 -18.560 -2.518 1.00 53.25 H new ATOM 0 HD3 PRO A 37 24.938 -18.370 -1.108 1.00 53.25 H new ATOM 578 N VAL A 38 23.029 -13.381 -2.414 1.00 23.33 N ATOM 579 CA VAL A 38 22.256 -12.544 -3.323 1.00 14.14 C ATOM 580 C VAL A 38 22.751 -12.686 -4.757 1.00 63.22 C ATOM 581 O VAL A 38 22.010 -12.439 -5.708 1.00 72.25 O ATOM 582 CB VAL A 38 22.322 -11.061 -2.913 1.00 11.32 C ATOM 583 CG1 VAL A 38 21.758 -10.867 -1.514 1.00 32.45 C ATOM 584 CG2 VAL A 38 23.752 -10.549 -2.995 1.00 41.04 C ATOM 0 H VAL A 38 23.471 -12.874 -1.647 1.00 23.33 H new ATOM 0 HA VAL A 38 21.222 -12.884 -3.264 1.00 14.14 H new ATOM 0 HB VAL A 38 21.712 -10.483 -3.608 1.00 11.32 H new ATOM 0 HG11 VAL A 38 21.813 -9.813 -1.242 1.00 32.45 H new ATOM 0 HG12 VAL A 38 20.718 -11.193 -1.492 1.00 32.45 H new ATOM 0 HG13 VAL A 38 22.338 -11.456 -0.803 1.00 32.45 H new ATOM 0 HG21 VAL A 38 23.780 -9.500 -2.702 1.00 41.04 H new ATOM 0 HG22 VAL A 38 24.385 -11.130 -2.325 1.00 41.04 H new ATOM 0 HG23 VAL A 38 24.117 -10.650 -4.017 1.00 41.04 H new ATOM 594 N ASP A 39 24.009 -13.086 -4.906 1.00 24.25 N ATOM 595 CA ASP A 39 24.605 -13.263 -6.225 1.00 31.31 C ATOM 596 C ASP A 39 23.850 -14.320 -7.024 1.00 73.54 C ATOM 597 O ASP A 39 23.878 -14.319 -8.255 1.00 2.43 O ATOM 598 CB ASP A 39 26.077 -13.659 -6.095 1.00 35.23 C ATOM 599 CG ASP A 39 26.831 -12.772 -5.124 1.00 41.13 C ATOM 600 OD1 ASP A 39 27.295 -11.691 -5.545 1.00 71.35 O ATOM 601 OD2 ASP A 39 26.957 -13.157 -3.943 1.00 70.54 O ATOM 0 H ASP A 39 24.636 -13.294 -4.129 1.00 24.25 H new ATOM 0 HA ASP A 39 24.538 -12.314 -6.757 1.00 31.31 H new ATOM 0 HB2 ASP A 39 26.144 -14.695 -5.763 1.00 35.23 H new ATOM 0 HB3 ASP A 39 26.552 -13.607 -7.075 1.00 35.23 H new ATOM 606 N GLN A 40 23.177 -15.222 -6.316 1.00 53.25 N ATOM 607 CA GLN A 40 22.416 -16.286 -6.961 1.00 13.50 C ATOM 608 C GLN A 40 20.947 -15.899 -7.097 1.00 13.25 C ATOM 609 O GLN A 40 20.206 -16.503 -7.872 1.00 12.34 O ATOM 610 CB GLN A 40 22.542 -17.586 -6.165 1.00 52.21 C ATOM 611 CG GLN A 40 22.451 -18.836 -7.025 1.00 22.45 C ATOM 612 CD GLN A 40 23.580 -18.936 -8.031 1.00 42.44 C ATOM 613 OE1 GLN A 40 23.346 -19.033 -9.236 1.00 40.14 O ATOM 614 NE2 GLN A 40 24.814 -18.911 -7.542 1.00 23.22 N ATOM 0 H GLN A 40 23.143 -15.237 -5.297 1.00 53.25 H new ATOM 0 HA GLN A 40 22.826 -16.438 -7.959 1.00 13.50 H new ATOM 0 HB2 GLN A 40 23.495 -17.588 -5.636 1.00 52.21 H new ATOM 0 HB3 GLN A 40 21.757 -17.617 -5.409 1.00 52.21 H new ATOM 0 HG2 GLN A 40 22.463 -19.716 -6.382 1.00 22.45 H new ATOM 0 HG3 GLN A 40 21.498 -18.840 -7.553 1.00 22.45 H new ATOM 0 HE21 GLN A 40 24.962 -18.829 -6.536 1.00 23.22 H new ATOM 0 HE22 GLN A 40 25.614 -18.973 -8.172 1.00 23.22 H new ATOM 623 N GLN A 41 20.533 -14.889 -6.337 1.00 63.24 N ATOM 624 CA GLN A 41 19.152 -14.423 -6.373 1.00 20.33 C ATOM 625 C GLN A 41 19.026 -13.158 -7.215 1.00 33.02 C ATOM 626 O GLN A 41 19.682 -12.152 -6.944 1.00 31.32 O ATOM 627 CB GLN A 41 18.644 -14.159 -4.954 1.00 44.12 C ATOM 628 CG GLN A 41 18.601 -15.403 -4.082 1.00 1.13 C ATOM 629 CD GLN A 41 17.737 -16.500 -4.672 1.00 14.34 C ATOM 630 OE1 GLN A 41 18.126 -17.668 -4.696 1.00 10.43 O ATOM 631 NE2 GLN A 41 16.555 -16.129 -5.152 1.00 23.13 N ATOM 0 H GLN A 41 21.134 -14.379 -5.690 1.00 63.24 H new ATOM 0 HA GLN A 41 18.543 -15.203 -6.830 1.00 20.33 H new ATOM 0 HB2 GLN A 41 19.285 -13.415 -4.480 1.00 44.12 H new ATOM 0 HB3 GLN A 41 17.644 -13.729 -5.009 1.00 44.12 H new ATOM 0 HG2 GLN A 41 19.614 -15.779 -3.943 1.00 1.13 H new ATOM 0 HG3 GLN A 41 18.221 -15.138 -3.095 1.00 1.13 H new ATOM 0 HE21 GLN A 41 16.273 -15.150 -5.112 1.00 23.13 H new ATOM 0 HE22 GLN A 41 15.930 -16.824 -5.561 1.00 23.13 H new ATOM 640 N ARG A 42 18.179 -13.216 -8.237 1.00 55.22 N ATOM 641 CA ARG A 42 17.968 -12.075 -9.120 1.00 14.10 C ATOM 642 C ARG A 42 16.479 -11.844 -9.364 1.00 1.13 C ATOM 643 O ARG A 42 15.677 -12.777 -9.306 1.00 23.34 O ATOM 644 CB ARG A 42 18.685 -12.295 -10.453 1.00 4.32 C ATOM 645 CG ARG A 42 18.873 -11.021 -11.261 1.00 3.03 C ATOM 646 CD ARG A 42 19.869 -10.083 -10.598 1.00 4.43 C ATOM 647 NE ARG A 42 20.511 -9.195 -11.563 1.00 41.54 N ATOM 648 CZ ARG A 42 21.454 -8.316 -11.241 1.00 14.15 C ATOM 649 NH1 ARG A 42 21.862 -8.209 -9.984 1.00 1.33 N ATOM 650 NH2 ARG A 42 21.990 -7.543 -12.176 1.00 11.50 N ATOM 0 H ARG A 42 17.628 -14.041 -8.474 1.00 55.22 H new ATOM 0 HA ARG A 42 18.381 -11.191 -8.634 1.00 14.10 H new ATOM 0 HB2 ARG A 42 19.661 -12.741 -10.262 1.00 4.32 H new ATOM 0 HB3 ARG A 42 18.118 -13.012 -11.047 1.00 4.32 H new ATOM 0 HG2 ARG A 42 19.220 -11.272 -12.263 1.00 3.03 H new ATOM 0 HG3 ARG A 42 17.914 -10.515 -11.373 1.00 3.03 H new ATOM 0 HD2 ARG A 42 19.358 -9.487 -9.842 1.00 4.43 H new ATOM 0 HD3 ARG A 42 20.630 -10.668 -10.082 1.00 4.43 H new ATOM 0 HE ARG A 42 20.219 -9.253 -12.539 1.00 41.54 H new ATOM 0 HH11 ARG A 42 21.452 -8.802 -9.262 1.00 1.33 H new ATOM 0 HH12 ARG A 42 22.586 -7.534 -9.739 1.00 1.33 H new ATOM 0 HH21 ARG A 42 21.678 -7.623 -13.144 1.00 11.50 H new ATOM 0 HH22 ARG A 42 22.714 -6.869 -11.927 1.00 11.50 H new ATOM 664 N LEU A 43 16.116 -10.595 -9.636 1.00 23.31 N ATOM 665 CA LEU A 43 14.724 -10.241 -9.888 1.00 51.12 C ATOM 666 C LEU A 43 14.513 -9.871 -11.353 1.00 10.32 C ATOM 667 O LEU A 43 15.331 -9.171 -11.950 1.00 64.13 O ATOM 668 CB LEU A 43 14.303 -9.076 -8.990 1.00 72.32 C ATOM 669 CG LEU A 43 14.832 -9.110 -7.556 1.00 15.42 C ATOM 670 CD1 LEU A 43 14.253 -7.959 -6.747 1.00 44.30 C ATOM 671 CD2 LEU A 43 14.506 -10.443 -6.898 1.00 52.41 C ATOM 0 H LEU A 43 16.766 -9.811 -9.688 1.00 23.31 H new ATOM 0 HA LEU A 43 14.107 -11.110 -9.659 1.00 51.12 H new ATOM 0 HB2 LEU A 43 14.632 -8.147 -9.456 1.00 72.32 H new ATOM 0 HB3 LEU A 43 13.214 -9.046 -8.954 1.00 72.32 H new ATOM 0 HG LEU A 43 15.916 -8.998 -7.586 1.00 15.42 H new ATOM 0 HD11 LEU A 43 14.640 -7.999 -5.729 1.00 44.30 H new ATOM 0 HD12 LEU A 43 14.537 -7.012 -7.207 1.00 44.30 H new ATOM 0 HD13 LEU A 43 13.166 -8.040 -6.725 1.00 44.30 H new ATOM 0 HD21 LEU A 43 14.890 -10.449 -5.878 1.00 52.41 H new ATOM 0 HD22 LEU A 43 13.425 -10.585 -6.880 1.00 52.41 H new ATOM 0 HD23 LEU A 43 14.969 -11.251 -7.465 1.00 52.41 H new ATOM 683 N ILE A 44 13.410 -10.343 -11.924 1.00 41.40 N ATOM 684 CA ILE A 44 13.090 -10.058 -13.317 1.00 64.24 C ATOM 685 C ILE A 44 11.626 -9.661 -13.476 1.00 25.54 C ATOM 686 O ILE A 44 10.747 -10.217 -12.817 1.00 72.34 O ATOM 687 CB ILE A 44 13.382 -11.271 -14.221 1.00 4.21 C ATOM 688 CG1 ILE A 44 14.816 -11.761 -14.006 1.00 51.11 C ATOM 689 CG2 ILE A 44 13.153 -10.911 -15.681 1.00 43.42 C ATOM 690 CD1 ILE A 44 14.943 -12.794 -12.908 1.00 41.32 C ATOM 0 H ILE A 44 12.723 -10.924 -11.444 1.00 41.40 H new ATOM 0 HA ILE A 44 13.724 -9.226 -13.622 1.00 64.24 H new ATOM 0 HB ILE A 44 12.698 -12.077 -13.955 1.00 4.21 H new ATOM 0 HG12 ILE A 44 15.190 -12.185 -14.938 1.00 51.11 H new ATOM 0 HG13 ILE A 44 15.451 -10.908 -13.767 1.00 51.11 H new ATOM 0 HG21 ILE A 44 13.363 -11.778 -16.307 1.00 43.42 H new ATOM 0 HG22 ILE A 44 12.116 -10.605 -15.822 1.00 43.42 H new ATOM 0 HG23 ILE A 44 13.815 -10.092 -15.962 1.00 43.42 H new ATOM 0 HD11 ILE A 44 15.986 -13.096 -12.811 1.00 41.32 H new ATOM 0 HD12 ILE A 44 14.600 -12.367 -11.966 1.00 41.32 H new ATOM 0 HD13 ILE A 44 14.335 -13.664 -13.155 1.00 41.32 H new ATOM 702 N PHE A 45 11.372 -8.698 -14.354 1.00 40.52 N ATOM 703 CA PHE A 45 10.014 -8.226 -14.600 1.00 61.33 C ATOM 704 C PHE A 45 9.673 -8.301 -16.086 1.00 5.42 C ATOM 705 O PHE A 45 10.161 -7.503 -16.886 1.00 12.31 O ATOM 706 CB PHE A 45 9.851 -6.790 -14.099 1.00 44.34 C ATOM 707 CG PHE A 45 8.436 -6.290 -14.161 1.00 23.23 C ATOM 708 CD1 PHE A 45 7.873 -5.911 -15.369 1.00 2.15 C ATOM 709 CD2 PHE A 45 7.669 -6.199 -13.010 1.00 63.33 C ATOM 710 CE1 PHE A 45 6.571 -5.451 -15.429 1.00 20.15 C ATOM 711 CE2 PHE A 45 6.367 -5.741 -13.064 1.00 53.42 C ATOM 712 CZ PHE A 45 5.817 -5.365 -14.275 1.00 3.14 C ATOM 0 H PHE A 45 12.088 -8.228 -14.908 1.00 40.52 H new ATOM 0 HA PHE A 45 9.327 -8.873 -14.054 1.00 61.33 H new ATOM 0 HB2 PHE A 45 10.204 -6.731 -13.069 1.00 44.34 H new ATOM 0 HB3 PHE A 45 10.486 -6.132 -14.692 1.00 44.34 H new ATOM 0 HD1 PHE A 45 8.458 -5.976 -16.274 1.00 2.15 H new ATOM 0 HD2 PHE A 45 8.094 -6.489 -12.061 1.00 63.33 H new ATOM 0 HE1 PHE A 45 6.144 -5.159 -16.377 1.00 20.15 H new ATOM 0 HE2 PHE A 45 5.779 -5.677 -12.160 1.00 53.42 H new ATOM 0 HZ PHE A 45 4.800 -5.005 -14.319 1.00 3.14 H new ATOM 722 N ALA A 46 8.834 -9.265 -16.447 1.00 34.33 N ATOM 723 CA ALA A 46 8.426 -9.444 -17.835 1.00 2.22 C ATOM 724 C ALA A 46 9.638 -9.516 -18.758 1.00 21.44 C ATOM 725 O ALA A 46 9.580 -9.088 -19.909 1.00 41.42 O ATOM 726 CB ALA A 46 7.501 -8.314 -18.263 1.00 23.12 C ATOM 0 H ALA A 46 8.423 -9.935 -15.797 1.00 34.33 H new ATOM 0 HA ALA A 46 7.887 -10.388 -17.911 1.00 2.22 H new ATOM 0 HB1 ALA A 46 7.204 -8.460 -19.302 1.00 23.12 H new ATOM 0 HB2 ALA A 46 6.614 -8.310 -17.629 1.00 23.12 H new ATOM 0 HB3 ALA A 46 8.021 -7.361 -18.165 1.00 23.12 H new ATOM 732 N GLY A 47 10.736 -10.062 -18.243 1.00 43.32 N ATOM 733 CA GLY A 47 11.947 -10.179 -19.035 1.00 32.31 C ATOM 734 C GLY A 47 12.873 -8.992 -18.858 1.00 73.23 C ATOM 735 O GLY A 47 13.766 -8.765 -19.674 1.00 65.11 O ATOM 0 H GLY A 47 10.808 -10.425 -17.293 1.00 43.32 H new ATOM 0 HA2 GLY A 47 12.474 -11.091 -18.755 1.00 32.31 H new ATOM 0 HA3 GLY A 47 11.681 -10.275 -20.088 1.00 32.31 H new ATOM 739 N LYS A 48 12.659 -8.231 -17.791 1.00 11.24 N ATOM 740 CA LYS A 48 13.480 -7.060 -17.508 1.00 44.35 C ATOM 741 C LYS A 48 14.371 -7.300 -16.294 1.00 45.10 C ATOM 742 O LYS A 48 13.881 -7.553 -15.194 1.00 71.42 O ATOM 743 CB LYS A 48 12.594 -5.835 -17.270 1.00 21.12 C ATOM 744 CG LYS A 48 13.366 -4.528 -17.211 1.00 73.03 C ATOM 745 CD LYS A 48 13.621 -3.969 -18.601 1.00 10.42 C ATOM 746 CE LYS A 48 14.909 -4.518 -19.195 1.00 10.22 C ATOM 747 NZ LYS A 48 15.557 -3.541 -20.113 1.00 4.34 N ATOM 0 H LYS A 48 11.923 -8.404 -17.107 1.00 11.24 H new ATOM 0 HA LYS A 48 14.117 -6.877 -18.373 1.00 44.35 H new ATOM 0 HB2 LYS A 48 11.852 -5.773 -18.066 1.00 21.12 H new ATOM 0 HB3 LYS A 48 12.049 -5.968 -16.336 1.00 21.12 H new ATOM 0 HG2 LYS A 48 12.808 -3.801 -16.622 1.00 73.03 H new ATOM 0 HG3 LYS A 48 14.316 -4.688 -16.702 1.00 73.03 H new ATOM 0 HD2 LYS A 48 12.784 -4.217 -19.253 1.00 10.42 H new ATOM 0 HD3 LYS A 48 13.676 -2.881 -18.552 1.00 10.42 H new ATOM 0 HE2 LYS A 48 15.599 -4.774 -18.391 1.00 10.22 H new ATOM 0 HE3 LYS A 48 14.695 -5.439 -19.737 1.00 10.22 H new ATOM 0 HZ1 LYS A 48 16.431 -3.953 -20.497 1.00 4.34 H new ATOM 0 HZ2 LYS A 48 14.908 -3.316 -20.894 1.00 4.34 H new ATOM 0 HZ3 LYS A 48 15.784 -2.671 -19.590 1.00 4.34 H new ATOM 761 N GLN A 49 15.682 -7.217 -16.501 1.00 73.04 N ATOM 762 CA GLN A 49 16.640 -7.425 -15.422 1.00 41.13 C ATOM 763 C GLN A 49 16.709 -6.203 -14.513 1.00 1.24 C ATOM 764 O GLN A 49 17.055 -5.106 -14.954 1.00 22.02 O ATOM 765 CB GLN A 49 18.026 -7.729 -15.994 1.00 51.32 C ATOM 766 CG GLN A 49 18.251 -9.202 -16.293 1.00 23.13 C ATOM 767 CD GLN A 49 19.698 -9.517 -16.617 1.00 22.31 C ATOM 768 OE1 GLN A 49 20.356 -8.782 -17.353 1.00 51.45 O ATOM 769 NE2 GLN A 49 20.203 -10.616 -16.067 1.00 53.41 N ATOM 0 H GLN A 49 16.104 -7.007 -17.406 1.00 73.04 H new ATOM 0 HA GLN A 49 16.304 -8.277 -14.830 1.00 41.13 H new ATOM 0 HB2 GLN A 49 18.166 -7.155 -16.910 1.00 51.32 H new ATOM 0 HB3 GLN A 49 18.784 -7.390 -15.287 1.00 51.32 H new ATOM 0 HG2 GLN A 49 17.937 -9.795 -15.434 1.00 23.13 H new ATOM 0 HG3 GLN A 49 17.622 -9.499 -17.132 1.00 23.13 H new ATOM 0 HE21 GLN A 49 19.622 -11.197 -15.463 1.00 53.41 H new ATOM 0 HE22 GLN A 49 21.172 -10.879 -16.249 1.00 53.41 H new ATOM 778 N LEU A 50 16.377 -6.398 -13.241 1.00 64.53 N ATOM 779 CA LEU A 50 16.401 -5.312 -12.268 1.00 43.33 C ATOM 780 C LEU A 50 17.675 -5.359 -11.431 1.00 2.33 C ATOM 781 O LEU A 50 18.061 -6.414 -10.930 1.00 31.40 O ATOM 782 CB LEU A 50 15.175 -5.390 -11.357 1.00 40.52 C ATOM 783 CG LEU A 50 13.816 -5.322 -12.054 1.00 53.10 C ATOM 784 CD1 LEU A 50 13.320 -6.719 -12.394 1.00 12.14 C ATOM 785 CD2 LEU A 50 12.805 -4.593 -11.181 1.00 53.53 C ATOM 0 H LEU A 50 16.088 -7.299 -12.860 1.00 64.53 H new ATOM 0 HA LEU A 50 16.381 -4.368 -12.813 1.00 43.33 H new ATOM 0 HB2 LEU A 50 15.225 -6.321 -10.793 1.00 40.52 H new ATOM 0 HB3 LEU A 50 15.232 -4.576 -10.635 1.00 40.52 H new ATOM 0 HG LEU A 50 13.933 -4.764 -12.983 1.00 53.10 H new ATOM 0 HD11 LEU A 50 12.352 -6.651 -12.889 1.00 12.14 H new ATOM 0 HD12 LEU A 50 14.034 -7.207 -13.058 1.00 12.14 H new ATOM 0 HD13 LEU A 50 13.219 -7.302 -11.479 1.00 12.14 H new ATOM 0 HD21 LEU A 50 11.843 -4.554 -11.693 1.00 53.53 H new ATOM 0 HD22 LEU A 50 12.691 -5.123 -10.235 1.00 53.53 H new ATOM 0 HD23 LEU A 50 13.155 -3.579 -10.988 1.00 53.53 H new ATOM 797 N GLU A 51 18.322 -4.207 -11.282 1.00 22.04 N ATOM 798 CA GLU A 51 19.552 -4.118 -10.503 1.00 51.30 C ATOM 799 C GLU A 51 19.292 -3.465 -9.148 1.00 72.52 C ATOM 800 O GLU A 51 18.215 -2.919 -8.907 1.00 22.54 O ATOM 801 CB GLU A 51 20.610 -3.322 -11.270 1.00 25.04 C ATOM 802 CG GLU A 51 21.086 -4.007 -12.540 1.00 32.54 C ATOM 803 CD GLU A 51 22.313 -3.345 -13.136 1.00 33.32 C ATOM 804 OE1 GLU A 51 23.273 -4.070 -13.471 1.00 4.23 O ATOM 805 OE2 GLU A 51 22.313 -2.104 -13.267 1.00 53.43 O ATOM 0 H GLU A 51 18.015 -3.324 -11.690 1.00 22.04 H new ATOM 0 HA GLU A 51 19.920 -5.130 -10.335 1.00 51.30 H new ATOM 0 HB2 GLU A 51 20.202 -2.344 -11.526 1.00 25.04 H new ATOM 0 HB3 GLU A 51 21.466 -3.149 -10.618 1.00 25.04 H new ATOM 0 HG2 GLU A 51 21.311 -5.051 -12.323 1.00 32.54 H new ATOM 0 HG3 GLU A 51 20.281 -4.001 -13.275 1.00 32.54 H new ATOM 812 N ASP A 52 20.285 -3.527 -8.268 1.00 61.33 N ATOM 813 CA ASP A 52 20.165 -2.943 -6.938 1.00 2.24 C ATOM 814 C ASP A 52 19.893 -1.444 -7.025 1.00 32.32 C ATOM 815 O ASP A 52 19.404 -0.836 -6.073 1.00 52.11 O ATOM 816 CB ASP A 52 21.439 -3.196 -6.129 1.00 72.04 C ATOM 817 CG ASP A 52 22.672 -2.619 -6.796 1.00 60.13 C ATOM 818 OD1 ASP A 52 23.343 -3.360 -7.546 1.00 1.54 O ATOM 819 OD2 ASP A 52 22.966 -1.427 -6.570 1.00 14.23 O ATOM 0 H ASP A 52 21.182 -3.976 -8.452 1.00 61.33 H new ATOM 0 HA ASP A 52 19.323 -3.419 -6.434 1.00 2.24 H new ATOM 0 HB2 ASP A 52 21.328 -2.759 -5.136 1.00 72.04 H new ATOM 0 HB3 ASP A 52 21.572 -4.269 -5.992 1.00 72.04 H new ATOM 824 N SER A 53 20.214 -0.855 -8.172 1.00 72.54 N ATOM 825 CA SER A 53 20.008 0.573 -8.382 1.00 64.13 C ATOM 826 C SER A 53 18.664 0.835 -9.054 1.00 11.40 C ATOM 827 O SER A 53 18.450 1.890 -9.652 1.00 3.21 O ATOM 828 CB SER A 53 21.139 1.152 -9.235 1.00 11.43 C ATOM 829 OG SER A 53 22.388 0.583 -8.881 1.00 15.52 O ATOM 0 H SER A 53 20.618 -1.345 -8.970 1.00 72.54 H new ATOM 0 HA SER A 53 20.009 1.063 -7.408 1.00 64.13 H new ATOM 0 HB2 SER A 53 20.936 0.964 -10.289 1.00 11.43 H new ATOM 0 HB3 SER A 53 21.179 2.234 -9.106 1.00 11.43 H new ATOM 0 HG SER A 53 23.094 0.968 -9.441 1.00 15.52 H new ATOM 835 N LYS A 54 17.759 -0.132 -8.951 1.00 23.50 N ATOM 836 CA LYS A 54 16.434 -0.008 -9.546 1.00 61.32 C ATOM 837 C LYS A 54 15.347 -0.344 -8.530 1.00 4.23 C ATOM 838 O LYS A 54 15.552 -1.163 -7.633 1.00 62.24 O ATOM 839 CB LYS A 54 16.311 -0.928 -10.763 1.00 32.31 C ATOM 840 CG LYS A 54 17.417 -0.736 -11.786 1.00 11.32 C ATOM 841 CD LYS A 54 16.940 -1.061 -13.191 1.00 54.23 C ATOM 842 CE LYS A 54 16.167 0.099 -13.800 1.00 12.43 C ATOM 843 NZ LYS A 54 16.319 0.152 -15.280 1.00 65.11 N ATOM 0 H LYS A 54 17.919 -1.012 -8.460 1.00 23.50 H new ATOM 0 HA LYS A 54 16.302 1.026 -9.864 1.00 61.32 H new ATOM 0 HB2 LYS A 54 16.315 -1.965 -10.426 1.00 32.31 H new ATOM 0 HB3 LYS A 54 15.349 -0.753 -11.244 1.00 32.31 H new ATOM 0 HG2 LYS A 54 17.772 0.294 -11.750 1.00 11.32 H new ATOM 0 HG3 LYS A 54 18.264 -1.374 -11.532 1.00 11.32 H new ATOM 0 HD2 LYS A 54 17.797 -1.299 -13.821 1.00 54.23 H new ATOM 0 HD3 LYS A 54 16.307 -1.948 -13.165 1.00 54.23 H new ATOM 0 HE2 LYS A 54 15.111 0.004 -13.547 1.00 12.43 H new ATOM 0 HE3 LYS A 54 16.516 1.036 -13.366 1.00 12.43 H new ATOM 0 HZ1 LYS A 54 15.805 0.976 -15.652 1.00 65.11 H new ATOM 0 HZ2 LYS A 54 17.327 0.234 -15.523 1.00 65.11 H new ATOM 0 HZ3 LYS A 54 15.931 -0.717 -15.700 1.00 65.11 H new ATOM 857 N THR A 55 14.190 0.293 -8.675 1.00 52.54 N ATOM 858 CA THR A 55 13.071 0.062 -7.771 1.00 11.44 C ATOM 859 C THR A 55 11.742 0.117 -8.515 1.00 33.12 C ATOM 860 O THR A 55 11.680 0.558 -9.662 1.00 14.21 O ATOM 861 CB THR A 55 13.050 1.096 -6.628 1.00 75.53 C ATOM 862 OG1 THR A 55 12.843 2.409 -7.160 1.00 1.14 O ATOM 863 CG2 THR A 55 14.351 1.060 -5.842 1.00 22.20 C ATOM 0 H THR A 55 14.003 0.974 -9.411 1.00 52.54 H new ATOM 0 HA THR A 55 13.206 -0.934 -7.349 1.00 11.44 H new ATOM 0 HB THR A 55 12.231 0.844 -5.954 1.00 75.53 H new ATOM 0 HG1 THR A 55 12.830 3.060 -6.428 1.00 1.14 H new ATOM 0 HG21 THR A 55 14.313 1.798 -5.041 1.00 22.20 H new ATOM 0 HG22 THR A 55 14.490 0.067 -5.414 1.00 22.20 H new ATOM 0 HG23 THR A 55 15.184 1.289 -6.507 1.00 22.20 H new ATOM 871 N MET A 56 10.680 -0.334 -7.854 1.00 41.23 N ATOM 872 CA MET A 56 9.351 -0.334 -8.454 1.00 72.01 C ATOM 873 C MET A 56 9.010 1.040 -9.022 1.00 4.20 C ATOM 874 O MET A 56 8.474 1.151 -10.124 1.00 10.11 O ATOM 875 CB MET A 56 8.301 -0.746 -7.420 1.00 4.53 C ATOM 876 CG MET A 56 8.624 -2.052 -6.713 1.00 62.12 C ATOM 877 SD MET A 56 8.886 -3.417 -7.862 1.00 52.11 S ATOM 878 CE MET A 56 9.664 -4.620 -6.787 1.00 41.23 C ATOM 0 H MET A 56 10.714 -0.704 -6.904 1.00 41.23 H new ATOM 0 HA MET A 56 9.349 -1.056 -9.271 1.00 72.01 H new ATOM 0 HB2 MET A 56 8.205 0.046 -6.677 1.00 4.53 H new ATOM 0 HB3 MET A 56 7.334 -0.839 -7.914 1.00 4.53 H new ATOM 0 HG2 MET A 56 9.517 -1.919 -6.103 1.00 62.12 H new ATOM 0 HG3 MET A 56 7.809 -2.305 -6.034 1.00 62.12 H new ATOM 0 HE1 MET A 56 9.266 -5.612 -7.003 1.00 41.23 H new ATOM 0 HE2 MET A 56 10.741 -4.616 -6.956 1.00 41.23 H new ATOM 0 HE3 MET A 56 9.459 -4.365 -5.747 1.00 41.23 H new ATOM 888 N ALA A 57 9.325 2.084 -8.262 1.00 45.12 N ATOM 889 CA ALA A 57 9.054 3.451 -8.691 1.00 63.41 C ATOM 890 C ALA A 57 9.828 3.791 -9.960 1.00 53.24 C ATOM 891 O ALA A 57 9.372 4.587 -10.782 1.00 12.13 O ATOM 892 CB ALA A 57 9.401 4.431 -7.580 1.00 70.14 C ATOM 0 H ALA A 57 9.768 2.009 -7.346 1.00 45.12 H new ATOM 0 HA ALA A 57 7.990 3.532 -8.913 1.00 63.41 H new ATOM 0 HB1 ALA A 57 9.194 5.448 -7.914 1.00 70.14 H new ATOM 0 HB2 ALA A 57 8.800 4.209 -6.698 1.00 70.14 H new ATOM 0 HB3 ALA A 57 10.458 4.339 -7.331 1.00 70.14 H new ATOM 898 N ASP A 58 11.000 3.185 -10.114 1.00 74.22 N ATOM 899 CA ASP A 58 11.837 3.424 -11.284 1.00 75.13 C ATOM 900 C ASP A 58 11.206 2.820 -12.536 1.00 3.44 C ATOM 901 O ASP A 58 11.185 3.446 -13.596 1.00 12.33 O ATOM 902 CB ASP A 58 13.232 2.838 -11.068 1.00 25.43 C ATOM 903 CG ASP A 58 13.916 3.409 -9.841 1.00 63.50 C ATOM 904 OD1 ASP A 58 14.989 2.891 -9.465 1.00 2.53 O ATOM 905 OD2 ASP A 58 13.379 4.373 -9.258 1.00 20.13 O ATOM 0 H ASP A 58 11.392 2.524 -9.443 1.00 74.22 H new ATOM 0 HA ASP A 58 11.922 4.501 -11.425 1.00 75.13 H new ATOM 0 HB2 ASP A 58 13.157 1.755 -10.968 1.00 25.43 H new ATOM 0 HB3 ASP A 58 13.846 3.035 -11.947 1.00 25.43 H new ATOM 910 N TYR A 59 10.696 1.601 -12.405 1.00 54.22 N ATOM 911 CA TYR A 59 10.068 0.911 -13.526 1.00 41.52 C ATOM 912 C TYR A 59 8.585 1.258 -13.618 1.00 43.42 C ATOM 913 O TYR A 59 7.860 0.716 -14.451 1.00 42.21 O ATOM 914 CB TYR A 59 10.241 -0.602 -13.383 1.00 4.52 C ATOM 915 CG TYR A 59 11.558 -1.114 -13.921 1.00 3.22 C ATOM 916 CD1 TYR A 59 11.908 -0.924 -15.252 1.00 41.12 C ATOM 917 CD2 TYR A 59 12.452 -1.788 -13.099 1.00 22.54 C ATOM 918 CE1 TYR A 59 13.110 -1.391 -15.749 1.00 11.25 C ATOM 919 CE2 TYR A 59 13.657 -2.257 -13.586 1.00 33.51 C ATOM 920 CZ TYR A 59 13.981 -2.056 -14.911 1.00 71.44 C ATOM 921 OH TYR A 59 15.179 -2.523 -15.401 1.00 22.30 O ATOM 0 H TYR A 59 10.705 1.070 -11.534 1.00 54.22 H new ATOM 0 HA TYR A 59 10.557 1.241 -14.442 1.00 41.52 H new ATOM 0 HB2 TYR A 59 10.159 -0.871 -12.330 1.00 4.52 H new ATOM 0 HB3 TYR A 59 9.426 -1.103 -13.904 1.00 4.52 H new ATOM 0 HD1 TYR A 59 11.229 -0.402 -15.910 1.00 41.12 H new ATOM 0 HD2 TYR A 59 12.201 -1.948 -12.061 1.00 22.54 H new ATOM 0 HE1 TYR A 59 13.366 -1.236 -16.787 1.00 11.25 H new ATOM 0 HE2 TYR A 59 14.341 -2.778 -12.933 1.00 33.51 H new ATOM 0 HH TYR A 59 15.393 -3.381 -14.979 1.00 22.30 H new ATOM 931 N ASN A 60 8.142 2.167 -12.755 1.00 43.14 N ATOM 932 CA ASN A 60 6.746 2.588 -12.738 1.00 60.12 C ATOM 933 C ASN A 60 5.815 1.381 -12.664 1.00 41.45 C ATOM 934 O ASN A 60 4.734 1.382 -13.254 1.00 11.12 O ATOM 935 CB ASN A 60 6.426 3.418 -13.983 1.00 63.54 C ATOM 936 CG ASN A 60 5.253 4.354 -13.769 1.00 32.23 C ATOM 937 OD1 ASN A 60 4.139 4.084 -14.218 1.00 51.11 O ATOM 938 ND2 ASN A 60 5.499 5.462 -13.079 1.00 35.41 N ATOM 0 H ASN A 60 8.729 2.626 -12.059 1.00 43.14 H new ATOM 0 HA ASN A 60 6.588 3.201 -11.851 1.00 60.12 H new ATOM 0 HB2 ASN A 60 7.304 3.999 -14.264 1.00 63.54 H new ATOM 0 HB3 ASN A 60 6.206 2.749 -14.815 1.00 63.54 H new ATOM 0 HD21 ASN A 60 4.749 6.130 -12.902 1.00 35.41 H new ATOM 0 HD22 ASN A 60 6.438 5.645 -12.726 1.00 35.41 H new ATOM 945 N ILE A 61 6.242 0.355 -11.937 1.00 5.01 N ATOM 946 CA ILE A 61 5.447 -0.857 -11.785 1.00 13.33 C ATOM 947 C ILE A 61 4.883 -0.971 -10.372 1.00 44.33 C ATOM 948 O ILE A 61 5.631 -1.124 -9.407 1.00 33.04 O ATOM 949 CB ILE A 61 6.275 -2.117 -12.098 1.00 54.14 C ATOM 950 CG1 ILE A 61 7.652 -2.027 -11.438 1.00 14.35 C ATOM 951 CG2 ILE A 61 6.414 -2.298 -13.602 1.00 73.45 C ATOM 952 CD1 ILE A 61 8.510 -3.252 -11.660 1.00 42.13 C ATOM 0 H ILE A 61 7.135 0.339 -11.444 1.00 5.01 H new ATOM 0 HA ILE A 61 4.625 -0.786 -12.498 1.00 13.33 H new ATOM 0 HB ILE A 61 5.755 -2.985 -11.693 1.00 54.14 H new ATOM 0 HG12 ILE A 61 8.175 -1.152 -11.825 1.00 14.35 H new ATOM 0 HG13 ILE A 61 7.523 -1.873 -10.367 1.00 14.35 H new ATOM 0 HG21 ILE A 61 7.002 -3.193 -13.808 1.00 73.45 H new ATOM 0 HG22 ILE A 61 5.425 -2.402 -14.049 1.00 73.45 H new ATOM 0 HG23 ILE A 61 6.915 -1.429 -14.028 1.00 73.45 H new ATOM 0 HD11 ILE A 61 9.471 -3.118 -11.164 1.00 42.13 H new ATOM 0 HD12 ILE A 61 8.008 -4.127 -11.248 1.00 42.13 H new ATOM 0 HD13 ILE A 61 8.670 -3.395 -12.729 1.00 42.13 H new ATOM 964 N GLN A 62 3.561 -0.896 -10.261 1.00 20.43 N ATOM 965 CA GLN A 62 2.898 -0.992 -8.966 1.00 34.51 C ATOM 966 C GLN A 62 1.450 -1.444 -9.128 1.00 71.22 C ATOM 967 O GLN A 62 1.004 -1.750 -10.234 1.00 70.41 O ATOM 968 CB GLN A 62 2.946 0.355 -8.243 1.00 71.21 C ATOM 969 CG GLN A 62 4.278 0.634 -7.566 1.00 12.43 C ATOM 970 CD GLN A 62 4.214 1.817 -6.619 1.00 62.31 C ATOM 971 OE1 GLN A 62 4.888 2.827 -6.823 1.00 52.12 O ATOM 972 NE2 GLN A 62 3.402 1.697 -5.576 1.00 33.04 N ATOM 0 H GLN A 62 2.928 -0.769 -11.051 1.00 20.43 H new ATOM 0 HA GLN A 62 3.427 -1.735 -8.370 1.00 34.51 H new ATOM 0 HB2 GLN A 62 2.738 1.150 -8.959 1.00 71.21 H new ATOM 0 HB3 GLN A 62 2.154 0.385 -7.495 1.00 71.21 H new ATOM 0 HG2 GLN A 62 4.594 -0.252 -7.014 1.00 12.43 H new ATOM 0 HG3 GLN A 62 5.036 0.823 -8.327 1.00 12.43 H new ATOM 0 HE21 GLN A 62 2.862 0.842 -5.446 1.00 33.04 H new ATOM 0 HE22 GLN A 62 3.318 2.460 -4.905 1.00 33.04 H new ATOM 981 N LYS A 63 0.720 -1.484 -8.019 1.00 11.13 N ATOM 982 CA LYS A 63 -0.678 -1.897 -8.037 1.00 32.34 C ATOM 983 C LYS A 63 -0.812 -3.345 -8.499 1.00 42.32 C ATOM 984 O LYS A 63 -1.170 -3.608 -9.646 1.00 54.14 O ATOM 985 CB LYS A 63 -1.491 -0.981 -8.954 1.00 2.52 C ATOM 986 CG LYS A 63 -1.388 0.490 -8.590 1.00 5.52 C ATOM 987 CD LYS A 63 -1.393 1.373 -9.827 1.00 20.31 C ATOM 988 CE LYS A 63 -0.023 1.418 -10.485 1.00 44.02 C ATOM 989 NZ LYS A 63 0.035 2.428 -11.578 1.00 74.01 N ATOM 0 H LYS A 63 1.074 -1.235 -7.095 1.00 11.13 H new ATOM 0 HA LYS A 63 -1.066 -1.820 -7.021 1.00 32.34 H new ATOM 0 HB2 LYS A 63 -1.153 -1.117 -9.981 1.00 2.52 H new ATOM 0 HB3 LYS A 63 -2.538 -1.283 -8.920 1.00 2.52 H new ATOM 0 HG2 LYS A 63 -2.221 0.765 -7.943 1.00 5.52 H new ATOM 0 HG3 LYS A 63 -0.473 0.662 -8.023 1.00 5.52 H new ATOM 0 HD2 LYS A 63 -2.128 0.999 -10.540 1.00 20.31 H new ATOM 0 HD3 LYS A 63 -1.700 2.383 -9.553 1.00 20.31 H new ATOM 0 HE2 LYS A 63 0.733 1.651 -9.735 1.00 44.02 H new ATOM 0 HE3 LYS A 63 0.219 0.434 -10.887 1.00 44.02 H new ATOM 0 HZ1 LYS A 63 0.985 2.428 -12.001 1.00 74.01 H new ATOM 0 HZ2 LYS A 63 -0.668 2.192 -12.307 1.00 74.01 H new ATOM 0 HZ3 LYS A 63 -0.171 3.371 -11.191 1.00 74.01 H new ATOM 1003 N GLU A 64 -0.522 -4.278 -7.598 1.00 72.43 N ATOM 1004 CA GLU A 64 -0.611 -5.699 -7.916 1.00 12.23 C ATOM 1005 C GLU A 64 0.378 -6.073 -9.016 1.00 74.40 C ATOM 1006 O GLU A 64 0.190 -7.064 -9.723 1.00 3.33 O ATOM 1007 CB GLU A 64 -2.034 -6.059 -8.349 1.00 22.22 C ATOM 1008 CG GLU A 64 -3.112 -5.402 -7.504 1.00 52.21 C ATOM 1009 CD GLU A 64 -4.473 -6.044 -7.693 1.00 10.35 C ATOM 1010 OE1 GLU A 64 -4.827 -6.353 -8.850 1.00 32.14 O ATOM 1011 OE2 GLU A 64 -5.184 -6.236 -6.684 1.00 64.40 O ATOM 0 H GLU A 64 -0.224 -4.076 -6.644 1.00 72.43 H new ATOM 0 HA GLU A 64 -0.359 -6.263 -7.018 1.00 12.23 H new ATOM 0 HB2 GLU A 64 -2.173 -5.768 -9.390 1.00 22.22 H new ATOM 0 HB3 GLU A 64 -2.156 -7.141 -8.302 1.00 22.22 H new ATOM 0 HG2 GLU A 64 -2.830 -5.460 -6.453 1.00 52.21 H new ATOM 0 HG3 GLU A 64 -3.175 -4.344 -7.760 1.00 52.21 H new ATOM 1018 N SER A 65 1.430 -5.274 -9.155 1.00 2.20 N ATOM 1019 CA SER A 65 2.447 -5.518 -10.172 1.00 13.24 C ATOM 1020 C SER A 65 2.965 -6.950 -10.088 1.00 64.22 C ATOM 1021 O SER A 65 3.310 -7.437 -9.011 1.00 23.11 O ATOM 1022 CB SER A 65 3.606 -4.533 -10.010 1.00 64.22 C ATOM 1023 OG SER A 65 3.568 -3.532 -11.012 1.00 43.31 O ATOM 0 H SER A 65 1.601 -4.452 -8.576 1.00 2.20 H new ATOM 0 HA SER A 65 1.990 -5.372 -11.151 1.00 13.24 H new ATOM 0 HB2 SER A 65 3.558 -4.068 -9.025 1.00 64.22 H new ATOM 0 HB3 SER A 65 4.553 -5.069 -10.063 1.00 64.22 H new ATOM 0 HG SER A 65 3.794 -3.928 -11.879 1.00 43.31 H new ATOM 1029 N THR A 66 3.018 -7.622 -11.235 1.00 10.45 N ATOM 1030 CA THR A 66 3.493 -8.998 -11.293 1.00 31.21 C ATOM 1031 C THR A 66 5.012 -9.051 -11.408 1.00 60.31 C ATOM 1032 O THR A 66 5.602 -8.411 -12.279 1.00 53.53 O ATOM 1033 CB THR A 66 2.872 -9.757 -12.481 1.00 45.33 C ATOM 1034 OG1 THR A 66 3.332 -11.113 -12.490 1.00 54.04 O ATOM 1035 CG2 THR A 66 3.232 -9.086 -13.798 1.00 54.44 C ATOM 0 H THR A 66 2.737 -7.234 -12.136 1.00 10.45 H new ATOM 0 HA THR A 66 3.185 -9.478 -10.364 1.00 31.21 H new ATOM 0 HB THR A 66 1.788 -9.742 -12.367 1.00 45.33 H new ATOM 0 HG1 THR A 66 2.931 -11.589 -13.247 1.00 54.04 H new ATOM 0 HG21 THR A 66 2.783 -9.639 -14.623 1.00 54.44 H new ATOM 0 HG22 THR A 66 2.856 -8.063 -13.800 1.00 54.44 H new ATOM 0 HG23 THR A 66 4.316 -9.075 -13.916 1.00 54.44 H new ATOM 1043 N LEU A 67 5.641 -9.819 -10.525 1.00 60.01 N ATOM 1044 CA LEU A 67 7.093 -9.957 -10.528 1.00 44.43 C ATOM 1045 C LEU A 67 7.501 -11.424 -10.615 1.00 1.10 C ATOM 1046 O LEU A 67 6.693 -12.319 -10.366 1.00 24.42 O ATOM 1047 CB LEU A 67 7.688 -9.324 -9.269 1.00 41.20 C ATOM 1048 CG LEU A 67 9.188 -9.029 -9.310 1.00 52.33 C ATOM 1049 CD1 LEU A 67 9.519 -8.110 -10.476 1.00 63.33 C ATOM 1050 CD2 LEU A 67 9.647 -8.413 -7.997 1.00 15.44 C ATOM 0 H LEU A 67 5.168 -10.356 -9.798 1.00 60.01 H new ATOM 0 HA LEU A 67 7.480 -9.439 -11.405 1.00 44.43 H new ATOM 0 HB2 LEU A 67 7.160 -8.391 -9.071 1.00 41.20 H new ATOM 0 HB3 LEU A 67 7.491 -9.986 -8.426 1.00 41.20 H new ATOM 0 HG LEU A 67 9.720 -9.970 -9.452 1.00 52.33 H new ATOM 0 HD11 LEU A 67 10.591 -7.911 -10.490 1.00 63.33 H new ATOM 0 HD12 LEU A 67 9.227 -8.589 -11.411 1.00 63.33 H new ATOM 0 HD13 LEU A 67 8.977 -7.171 -10.364 1.00 63.33 H new ATOM 0 HD21 LEU A 67 10.717 -8.210 -8.045 1.00 15.44 H new ATOM 0 HD22 LEU A 67 9.108 -7.481 -7.824 1.00 15.44 H new ATOM 0 HD23 LEU A 67 9.445 -9.106 -7.180 1.00 15.44 H new ATOM 1062 N HIS A 68 8.760 -11.663 -10.968 1.00 22.00 N ATOM 1063 CA HIS A 68 9.276 -13.022 -11.085 1.00 24.23 C ATOM 1064 C HIS A 68 10.434 -13.248 -10.117 1.00 64.43 C ATOM 1065 O HIS A 68 11.338 -12.419 -10.011 1.00 73.41 O ATOM 1066 CB HIS A 68 9.733 -13.296 -12.518 1.00 1.40 C ATOM 1067 CG HIS A 68 8.653 -13.103 -13.538 1.00 3.52 C ATOM 1068 ND1 HIS A 68 7.953 -14.149 -14.099 1.00 74.03 N ATOM 1069 CD2 HIS A 68 8.154 -11.975 -14.096 1.00 10.02 C ATOM 1070 CE1 HIS A 68 7.070 -13.674 -14.960 1.00 2.32 C ATOM 1071 NE2 HIS A 68 7.172 -12.357 -14.976 1.00 53.21 N ATOM 0 H HIS A 68 9.441 -10.934 -11.178 1.00 22.00 H new ATOM 0 HA HIS A 68 8.472 -13.713 -10.831 1.00 24.23 H new ATOM 0 HB2 HIS A 68 10.568 -12.638 -12.756 1.00 1.40 H new ATOM 0 HB3 HIS A 68 10.104 -14.319 -12.583 1.00 1.40 H new ATOM 0 HD2 HIS A 68 8.470 -10.963 -13.888 1.00 10.02 H new ATOM 0 HE1 HIS A 68 6.382 -14.262 -15.550 1.00 2.32 H new ATOM 0 HE2 HIS A 68 6.612 -11.726 -15.549 1.00 53.21 H new ATOM 1079 N MET A 69 10.400 -14.376 -9.414 1.00 0.50 N ATOM 1080 CA MET A 69 11.447 -14.710 -8.456 1.00 22.22 C ATOM 1081 C MET A 69 12.124 -16.026 -8.827 1.00 53.03 C ATOM 1082 O MET A 69 11.470 -17.064 -8.931 1.00 30.03 O ATOM 1083 CB MET A 69 10.865 -14.803 -7.044 1.00 25.11 C ATOM 1084 CG MET A 69 11.905 -14.641 -5.947 1.00 31.45 C ATOM 1085 SD MET A 69 12.792 -16.172 -5.599 1.00 63.13 S ATOM 1086 CE MET A 69 11.862 -16.793 -4.201 1.00 33.24 C ATOM 0 H MET A 69 9.659 -15.073 -9.490 1.00 0.50 H new ATOM 0 HA MET A 69 12.195 -13.917 -8.482 1.00 22.22 H new ATOM 0 HB2 MET A 69 10.100 -14.036 -6.924 1.00 25.11 H new ATOM 0 HB3 MET A 69 10.371 -15.768 -6.926 1.00 25.11 H new ATOM 0 HG2 MET A 69 12.619 -13.871 -6.239 1.00 31.45 H new ATOM 0 HG3 MET A 69 11.416 -14.294 -5.037 1.00 31.45 H new ATOM 0 HE1 MET A 69 11.896 -17.882 -4.196 1.00 33.24 H new ATOM 0 HE2 MET A 69 12.297 -16.412 -3.277 1.00 33.24 H new ATOM 0 HE3 MET A 69 10.826 -16.463 -4.278 1.00 33.24 H new ATOM 1096 N VAL A 70 13.437 -15.975 -9.027 1.00 71.42 N ATOM 1097 CA VAL A 70 14.202 -17.164 -9.386 1.00 52.54 C ATOM 1098 C VAL A 70 15.262 -17.473 -8.335 1.00 73.33 C ATOM 1099 O VAL A 70 16.103 -16.631 -8.019 1.00 62.21 O ATOM 1100 CB VAL A 70 14.886 -16.998 -10.756 1.00 41.42 C ATOM 1101 CG1 VAL A 70 13.849 -16.941 -11.868 1.00 24.01 C ATOM 1102 CG2 VAL A 70 15.760 -15.753 -10.767 1.00 42.43 C ATOM 0 H VAL A 70 13.993 -15.124 -8.947 1.00 71.42 H new ATOM 0 HA VAL A 70 13.495 -17.992 -9.439 1.00 52.54 H new ATOM 0 HB VAL A 70 15.524 -17.864 -10.931 1.00 41.42 H new ATOM 0 HG11 VAL A 70 14.351 -16.824 -12.828 1.00 24.01 H new ATOM 0 HG12 VAL A 70 13.269 -17.864 -11.872 1.00 24.01 H new ATOM 0 HG13 VAL A 70 13.183 -16.095 -11.701 1.00 24.01 H new ATOM 0 HG21 VAL A 70 16.236 -15.651 -11.742 1.00 42.43 H new ATOM 0 HG22 VAL A 70 15.145 -14.875 -10.570 1.00 42.43 H new ATOM 0 HG23 VAL A 70 16.526 -15.840 -9.997 1.00 42.43 H new ATOM 1112 N LEU A 71 15.216 -18.687 -7.797 1.00 11.11 N ATOM 1113 CA LEU A 71 16.173 -19.110 -6.780 1.00 42.45 C ATOM 1114 C LEU A 71 16.973 -20.318 -7.255 1.00 61.51 C ATOM 1115 O LEU A 71 16.413 -21.273 -7.795 1.00 42.53 O ATOM 1116 CB LEU A 71 15.448 -19.444 -5.476 1.00 74.10 C ATOM 1117 CG LEU A 71 14.614 -20.726 -5.481 1.00 63.22 C ATOM 1118 CD1 LEU A 71 15.455 -21.911 -5.032 1.00 21.11 C ATOM 1119 CD2 LEU A 71 13.390 -20.570 -4.591 1.00 22.23 C ATOM 0 H LEU A 71 14.527 -19.396 -8.048 1.00 11.11 H new ATOM 0 HA LEU A 71 16.865 -18.287 -6.602 1.00 42.45 H new ATOM 0 HB2 LEU A 71 16.189 -19.520 -4.681 1.00 74.10 H new ATOM 0 HB3 LEU A 71 14.794 -18.610 -5.223 1.00 74.10 H new ATOM 0 HG LEU A 71 14.275 -20.912 -6.500 1.00 63.22 H new ATOM 0 HD11 LEU A 71 14.845 -22.814 -5.042 1.00 21.11 H new ATOM 0 HD12 LEU A 71 16.299 -22.036 -5.710 1.00 21.11 H new ATOM 0 HD13 LEU A 71 15.824 -21.733 -4.022 1.00 21.11 H new ATOM 0 HD21 LEU A 71 12.809 -21.492 -4.607 1.00 22.23 H new ATOM 0 HD22 LEU A 71 13.707 -20.359 -3.570 1.00 22.23 H new ATOM 0 HD23 LEU A 71 12.776 -19.747 -4.958 1.00 22.23 H new