USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 719 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 41 THR OG1 : rot -1:sc= -0.0868 USER MOD Set 1.2: A 44 MET CE :methyl 149:sc= -0.125 (180deg=0) USER MOD Set 1.3: A 46 THR OG1 : rot 180:sc= -0.0039 USER MOD Set 2.1: A 32 SER OG : rot 68:sc= 1.24 USER MOD Set 2.2: A 52 THR OG1 : rot -31:sc= 1.15 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 35:sc= 1.06 USER MOD Single : A 5 SER OG : rot 26:sc= 0.838 USER MOD Single : A 6 SER OG : rot 27:sc= 0.566 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0169 (180deg=-0.226) USER MOD Single : A 11 THR OG1 : rot 180:sc=9.98e-05 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.91 USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= -0.641 (180deg=-2.23!) USER MOD Single : A 54 MET CE :methyl -170:sc= -0.648 (180deg=-0.954) USER MOD Single : A 57 SER OG : rot -176:sc= 0.0908 USER MOD Single : A 59 THR OG1 : rot 27:sc= 0.319 USER MOD Single : A 60 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.179) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -37:sc= 0.112 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00719 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.673 17.769 -27.654 1.00 0.00 N ATOM 2 CA GLY A 1 -22.216 16.644 -26.916 1.00 0.00 C ATOM 3 C GLY A 1 -21.304 15.434 -26.948 1.00 0.00 C ATOM 4 O GLY A 1 -21.728 14.338 -27.314 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.334 18.570 -27.601 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.759 18.046 -27.242 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.536 17.498 -28.649 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.385 16.940 -25.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.186 16.375 -27.333 1.00 0.00 H new ATOM 8 N SER A 2 -20.047 15.633 -26.566 1.00 0.00 N ATOM 9 CA SER A 2 -19.070 14.550 -26.558 1.00 0.00 C ATOM 10 C SER A 2 -19.513 13.426 -25.627 1.00 0.00 C ATOM 11 O SER A 2 -19.735 13.643 -24.435 1.00 0.00 O ATOM 12 CB SER A 2 -17.699 15.074 -26.127 1.00 0.00 C ATOM 13 OG SER A 2 -16.732 14.039 -26.134 1.00 0.00 O ATOM 0 H SER A 2 -19.681 16.534 -26.258 1.00 0.00 H new ATOM 0 HA SER A 2 -18.997 14.153 -27.570 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.385 15.874 -26.797 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.768 15.504 -25.128 1.00 0.00 H new ATOM 0 HG SER A 2 -15.864 14.400 -25.857 1.00 0.00 H new ATOM 19 N SER A 3 -19.640 12.223 -26.179 1.00 0.00 N ATOM 20 CA SER A 3 -20.060 11.064 -25.400 1.00 0.00 C ATOM 21 C SER A 3 -19.522 9.774 -26.012 1.00 0.00 C ATOM 22 O SER A 3 -20.001 9.320 -27.050 1.00 0.00 O ATOM 23 CB SER A 3 -21.586 11.006 -25.317 1.00 0.00 C ATOM 24 OG SER A 3 -22.159 10.806 -26.597 1.00 0.00 O ATOM 0 H SER A 3 -19.458 12.026 -27.163 1.00 0.00 H new ATOM 0 HA SER A 3 -19.652 11.165 -24.394 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.887 10.198 -24.650 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.965 11.933 -24.886 1.00 0.00 H new ATOM 0 HG SER A 3 -21.573 10.230 -27.131 1.00 0.00 H new ATOM 30 N GLY A 4 -18.522 9.189 -25.360 1.00 0.00 N ATOM 31 CA GLY A 4 -17.935 7.957 -25.854 1.00 0.00 C ATOM 32 C GLY A 4 -17.223 7.177 -24.766 1.00 0.00 C ATOM 33 O GLY A 4 -16.687 7.761 -23.825 1.00 0.00 O ATOM 0 H GLY A 4 -18.108 9.546 -24.499 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.717 7.335 -26.290 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.229 8.189 -26.652 1.00 0.00 H new ATOM 37 N SER A 5 -17.220 5.854 -24.895 1.00 0.00 N ATOM 38 CA SER A 5 -16.574 4.993 -23.912 1.00 0.00 C ATOM 39 C SER A 5 -15.270 4.423 -24.462 1.00 0.00 C ATOM 40 O SER A 5 -15.278 3.522 -25.301 1.00 0.00 O ATOM 41 CB SER A 5 -17.511 3.853 -23.507 1.00 0.00 C ATOM 42 OG SER A 5 -17.827 3.034 -24.620 1.00 0.00 O ATOM 0 H SER A 5 -17.657 5.356 -25.670 1.00 0.00 H new ATOM 0 HA SER A 5 -16.345 5.596 -23.033 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.041 3.250 -22.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.427 4.264 -23.082 1.00 0.00 H new ATOM 0 HG SER A 5 -17.109 3.093 -25.284 1.00 0.00 H new ATOM 48 N SER A 6 -14.150 4.957 -23.984 1.00 0.00 N ATOM 49 CA SER A 6 -12.837 4.505 -24.431 1.00 0.00 C ATOM 50 C SER A 6 -11.729 5.173 -23.622 1.00 0.00 C ATOM 51 O SER A 6 -11.551 6.389 -23.678 1.00 0.00 O ATOM 52 CB SER A 6 -12.650 4.806 -25.919 1.00 0.00 C ATOM 53 OG SER A 6 -12.735 6.198 -26.173 1.00 0.00 O ATOM 0 H SER A 6 -14.125 5.702 -23.288 1.00 0.00 H new ATOM 0 HA SER A 6 -12.778 3.428 -24.276 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.681 4.431 -26.250 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.410 4.281 -26.498 1.00 0.00 H new ATOM 0 HG SER A 6 -12.470 6.694 -25.370 1.00 0.00 H new ATOM 59 N GLY A 7 -10.987 4.367 -22.868 1.00 0.00 N ATOM 60 CA GLY A 7 -9.906 4.897 -22.058 1.00 0.00 C ATOM 61 C GLY A 7 -10.087 4.598 -20.583 1.00 0.00 C ATOM 62 O GLY A 7 -10.680 5.388 -19.849 1.00 0.00 O ATOM 0 H GLY A 7 -11.115 3.357 -22.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.960 4.474 -22.398 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.843 5.976 -22.202 1.00 0.00 H new ATOM 66 N LYS A 8 -9.575 3.452 -20.146 1.00 0.00 N ATOM 67 CA LYS A 8 -9.683 3.048 -18.749 1.00 0.00 C ATOM 68 C LYS A 8 -9.343 4.209 -17.820 1.00 0.00 C ATOM 69 O LYS A 8 -8.179 4.582 -17.679 1.00 0.00 O ATOM 70 CB LYS A 8 -8.755 1.865 -18.466 1.00 0.00 C ATOM 71 CG LYS A 8 -9.253 0.550 -19.039 1.00 0.00 C ATOM 72 CD LYS A 8 -8.102 -0.376 -19.394 1.00 0.00 C ATOM 73 CE LYS A 8 -8.592 -1.782 -19.703 1.00 0.00 C ATOM 74 NZ LYS A 8 -9.098 -2.472 -18.484 1.00 0.00 N ATOM 0 H LYS A 8 -9.081 2.786 -20.740 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.713 2.746 -18.562 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.769 2.081 -18.878 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.634 1.759 -17.388 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.905 0.061 -18.315 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.853 0.744 -19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.567 0.021 -20.256 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -7.393 -0.410 -18.567 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.385 -1.735 -20.449 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.779 -2.363 -20.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.167 -3.493 -18.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.443 -2.305 -17.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -10.038 -2.100 -18.239 1.00 0.00 H new ATOM 88 N GLU A 9 -10.366 4.775 -17.188 1.00 0.00 N ATOM 89 CA GLU A 9 -10.174 5.893 -16.272 1.00 0.00 C ATOM 90 C GLU A 9 -9.284 5.488 -15.100 1.00 0.00 C ATOM 91 O GLU A 9 -9.533 4.481 -14.438 1.00 0.00 O ATOM 92 CB GLU A 9 -11.523 6.394 -15.753 1.00 0.00 C ATOM 93 CG GLU A 9 -12.309 7.196 -16.777 1.00 0.00 C ATOM 94 CD GLU A 9 -11.801 8.618 -16.919 1.00 0.00 C ATOM 95 OE1 GLU A 9 -10.755 8.811 -17.573 1.00 0.00 O ATOM 96 OE2 GLU A 9 -12.448 9.537 -16.375 1.00 0.00 O ATOM 0 H GLU A 9 -11.336 4.478 -17.293 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.682 6.698 -16.819 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.121 5.540 -15.436 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.357 7.011 -14.870 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.254 6.696 -17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.360 7.217 -16.488 1.00 0.00 H new ATOM 103 N GLU A 10 -8.247 6.281 -14.850 1.00 0.00 N ATOM 104 CA GLU A 10 -7.320 6.005 -13.759 1.00 0.00 C ATOM 105 C GLU A 10 -7.791 6.662 -12.465 1.00 0.00 C ATOM 106 O GLU A 10 -7.969 7.879 -12.401 1.00 0.00 O ATOM 107 CB GLU A 10 -5.917 6.502 -14.115 1.00 0.00 C ATOM 108 CG GLU A 10 -5.235 5.680 -15.195 1.00 0.00 C ATOM 109 CD GLU A 10 -4.657 4.383 -14.664 1.00 0.00 C ATOM 110 OE1 GLU A 10 -5.446 3.469 -14.345 1.00 0.00 O ATOM 111 OE2 GLU A 10 -3.416 4.281 -14.567 1.00 0.00 O ATOM 0 H GLU A 10 -8.028 7.119 -15.388 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.288 4.926 -13.607 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.981 7.539 -14.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.299 6.491 -13.217 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.953 5.457 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.438 6.271 -15.647 1.00 0.00 H new ATOM 118 N THR A 11 -7.994 5.847 -11.434 1.00 0.00 N ATOM 119 CA THR A 11 -8.446 6.347 -10.142 1.00 0.00 C ATOM 120 C THR A 11 -7.274 6.841 -9.303 1.00 0.00 C ATOM 121 O THR A 11 -7.464 7.511 -8.288 1.00 0.00 O ATOM 122 CB THR A 11 -9.206 5.263 -9.355 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.415 4.071 -9.274 1.00 0.00 O ATOM 124 CG2 THR A 11 -10.539 4.948 -10.016 1.00 0.00 C ATOM 0 H THR A 11 -7.852 4.838 -11.469 1.00 0.00 H new ATOM 0 HA THR A 11 -9.121 7.179 -10.344 1.00 0.00 H new ATOM 0 HB THR A 11 -9.397 5.642 -8.351 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.904 3.387 -8.771 1.00 0.00 H new ATOM 0 HG21 THR A 11 -11.057 4.180 -9.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.150 5.850 -10.050 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.366 4.588 -11.030 1.00 0.00 H new ATOM 132 N GLU A 12 -6.061 6.506 -9.732 1.00 0.00 N ATOM 133 CA GLU A 12 -4.858 6.916 -9.018 1.00 0.00 C ATOM 134 C GLU A 12 -4.845 6.347 -7.602 1.00 0.00 C ATOM 135 O GLU A 12 -4.446 7.024 -6.654 1.00 0.00 O ATOM 136 CB GLU A 12 -4.764 8.443 -8.967 1.00 0.00 C ATOM 137 CG GLU A 12 -4.668 9.092 -10.337 1.00 0.00 C ATOM 138 CD GLU A 12 -4.658 10.607 -10.265 1.00 0.00 C ATOM 139 OE1 GLU A 12 -5.737 11.197 -10.049 1.00 0.00 O ATOM 140 OE2 GLU A 12 -3.572 11.202 -10.425 1.00 0.00 O ATOM 0 H GLU A 12 -5.886 5.952 -10.570 1.00 0.00 H new ATOM 0 HA GLU A 12 -3.995 6.524 -9.556 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.639 8.835 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.891 8.726 -8.378 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.761 8.750 -10.834 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.509 8.767 -10.949 1.00 0.00 H new ATOM 147 N ILE A 13 -5.285 5.101 -7.468 1.00 0.00 N ATOM 148 CA ILE A 13 -5.323 4.441 -6.169 1.00 0.00 C ATOM 149 C ILE A 13 -5.010 2.954 -6.298 1.00 0.00 C ATOM 150 O ILE A 13 -5.447 2.298 -7.244 1.00 0.00 O ATOM 151 CB ILE A 13 -6.697 4.608 -5.493 1.00 0.00 C ATOM 152 CG1 ILE A 13 -7.040 6.092 -5.346 1.00 0.00 C ATOM 153 CG2 ILE A 13 -6.707 3.919 -4.136 1.00 0.00 C ATOM 154 CD1 ILE A 13 -8.311 6.344 -4.565 1.00 0.00 C ATOM 0 H ILE A 13 -5.620 4.528 -8.243 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.562 4.918 -5.551 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.454 4.140 -6.122 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.212 6.601 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.139 6.534 -6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.685 4.046 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.502 2.856 -4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.941 4.361 -3.498 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.492 7.417 -4.501 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.149 5.864 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.209 5.932 -3.561 1.00 0.00 H new ATOM 166 N ILE A 14 -4.254 2.429 -5.340 1.00 0.00 N ATOM 167 CA ILE A 14 -3.885 1.019 -5.345 1.00 0.00 C ATOM 168 C ILE A 14 -3.872 0.449 -3.931 1.00 0.00 C ATOM 169 O ILE A 14 -3.124 0.913 -3.072 1.00 0.00 O ATOM 170 CB ILE A 14 -2.502 0.801 -5.988 1.00 0.00 C ATOM 171 CG1 ILE A 14 -2.287 1.789 -7.136 1.00 0.00 C ATOM 172 CG2 ILE A 14 -2.368 -0.632 -6.482 1.00 0.00 C ATOM 173 CD1 ILE A 14 -0.850 1.871 -7.601 1.00 0.00 C ATOM 0 H ILE A 14 -3.885 2.959 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 14 -4.638 0.498 -5.937 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.735 0.978 -5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.917 1.499 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.615 2.779 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.386 -0.771 -6.934 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.482 -1.318 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.140 -0.835 -7.224 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.772 2.590 -8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.217 2.191 -6.773 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.524 0.891 -7.949 1.00 0.00 H new ATOM 185 N GLU A 15 -4.704 -0.561 -3.698 1.00 0.00 N ATOM 186 CA GLU A 15 -4.787 -1.196 -2.388 1.00 0.00 C ATOM 187 C GLU A 15 -4.151 -2.583 -2.413 1.00 0.00 C ATOM 188 O GLU A 15 -4.113 -3.241 -3.452 1.00 0.00 O ATOM 189 CB GLU A 15 -6.246 -1.300 -1.938 1.00 0.00 C ATOM 190 CG GLU A 15 -6.439 -2.138 -0.686 1.00 0.00 C ATOM 191 CD GLU A 15 -7.891 -2.497 -0.442 1.00 0.00 C ATOM 192 OE1 GLU A 15 -8.757 -1.611 -0.600 1.00 0.00 O ATOM 193 OE2 GLU A 15 -8.163 -3.664 -0.092 1.00 0.00 O ATOM 0 H GLU A 15 -5.330 -0.957 -4.399 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.238 -0.577 -1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.634 -0.298 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.837 -1.729 -2.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.852 -3.053 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.054 -1.592 0.175 1.00 0.00 H new ATOM 200 N GLY A 16 -3.652 -3.020 -1.261 1.00 0.00 N ATOM 201 CA GLY A 16 -3.024 -4.325 -1.172 1.00 0.00 C ATOM 202 C GLY A 16 -2.722 -4.727 0.257 1.00 0.00 C ATOM 203 O GLY A 16 -2.786 -3.901 1.167 1.00 0.00 O ATOM 0 H GLY A 16 -3.671 -2.493 -0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.677 -5.071 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.099 -4.319 -1.748 1.00 0.00 H new ATOM 207 N GLU A 17 -2.392 -6.000 0.456 1.00 0.00 N ATOM 208 CA GLU A 17 -2.082 -6.509 1.786 1.00 0.00 C ATOM 209 C GLU A 17 -0.643 -6.177 2.174 1.00 0.00 C ATOM 210 O GLU A 17 0.305 -6.633 1.535 1.00 0.00 O ATOM 211 CB GLU A 17 -2.300 -8.023 1.841 1.00 0.00 C ATOM 212 CG GLU A 17 -2.131 -8.612 3.231 1.00 0.00 C ATOM 213 CD GLU A 17 -2.465 -10.090 3.283 1.00 0.00 C ATOM 214 OE1 GLU A 17 -2.194 -10.794 2.288 1.00 0.00 O ATOM 215 OE2 GLU A 17 -2.999 -10.543 4.317 1.00 0.00 O ATOM 0 H GLU A 17 -2.333 -6.696 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.753 -6.027 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.302 -8.251 1.479 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.598 -8.508 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.103 -8.464 3.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.771 -8.074 3.930 1.00 0.00 H new ATOM 222 N VAL A 18 -0.489 -5.379 3.225 1.00 0.00 N ATOM 223 CA VAL A 18 0.832 -4.985 3.699 1.00 0.00 C ATOM 224 C VAL A 18 1.678 -6.205 4.044 1.00 0.00 C ATOM 225 O VAL A 18 1.438 -6.879 5.046 1.00 0.00 O ATOM 226 CB VAL A 18 0.736 -4.074 4.938 1.00 0.00 C ATOM 227 CG1 VAL A 18 2.117 -3.596 5.358 1.00 0.00 C ATOM 228 CG2 VAL A 18 -0.185 -2.895 4.662 1.00 0.00 C ATOM 0 H VAL A 18 -1.263 -4.992 3.765 1.00 0.00 H new ATOM 0 HA VAL A 18 1.308 -4.434 2.888 1.00 0.00 H new ATOM 0 HB VAL A 18 0.313 -4.651 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.029 -2.954 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.742 -4.456 5.599 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.572 -3.035 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.241 -2.262 5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.206 -2.315 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.181 -3.262 4.414 1.00 0.00 H new ATOM 238 N VAL A 19 2.672 -6.485 3.206 1.00 0.00 N ATOM 239 CA VAL A 19 3.556 -7.624 3.422 1.00 0.00 C ATOM 240 C VAL A 19 4.825 -7.204 4.155 1.00 0.00 C ATOM 241 O VAL A 19 5.166 -7.764 5.196 1.00 0.00 O ATOM 242 CB VAL A 19 3.944 -8.294 2.091 1.00 0.00 C ATOM 243 CG1 VAL A 19 4.879 -9.469 2.336 1.00 0.00 C ATOM 244 CG2 VAL A 19 2.700 -8.742 1.338 1.00 0.00 C ATOM 0 H VAL A 19 2.885 -5.938 2.372 1.00 0.00 H new ATOM 0 HA VAL A 19 3.006 -8.339 4.034 1.00 0.00 H new ATOM 0 HB VAL A 19 4.470 -7.563 1.477 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.142 -9.929 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.784 -9.117 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.382 -10.204 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.993 -9.213 0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.145 -9.457 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.070 -7.877 1.129 1.00 0.00 H new ATOM 254 N GLU A 20 5.519 -6.213 3.604 1.00 0.00 N ATOM 255 CA GLU A 20 6.751 -5.717 4.207 1.00 0.00 C ATOM 256 C GLU A 20 6.812 -4.193 4.146 1.00 0.00 C ATOM 257 O GLU A 20 6.391 -3.584 3.163 1.00 0.00 O ATOM 258 CB GLU A 20 7.968 -6.315 3.498 1.00 0.00 C ATOM 259 CG GLU A 20 9.290 -5.719 3.950 1.00 0.00 C ATOM 260 CD GLU A 20 10.487 -6.429 3.349 1.00 0.00 C ATOM 261 OE1 GLU A 20 10.946 -7.426 3.946 1.00 0.00 O ATOM 262 OE2 GLU A 20 10.965 -5.990 2.282 1.00 0.00 O ATOM 0 H GLU A 20 5.250 -5.738 2.742 1.00 0.00 H new ATOM 0 HA GLU A 20 6.762 -6.022 5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.986 -7.391 3.671 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.861 -6.167 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.322 -4.665 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.353 -5.766 5.037 1.00 0.00 H new ATOM 269 N ILE A 21 7.338 -3.586 5.204 1.00 0.00 N ATOM 270 CA ILE A 21 7.454 -2.134 5.271 1.00 0.00 C ATOM 271 C ILE A 21 8.855 -1.715 5.704 1.00 0.00 C ATOM 272 O ILE A 21 9.157 -1.663 6.896 1.00 0.00 O ATOM 273 CB ILE A 21 6.426 -1.532 6.247 1.00 0.00 C ATOM 274 CG1 ILE A 21 5.004 -1.887 5.807 1.00 0.00 C ATOM 275 CG2 ILE A 21 6.598 -0.023 6.332 1.00 0.00 C ATOM 276 CD1 ILE A 21 3.959 -1.625 6.869 1.00 0.00 C ATOM 0 H ILE A 21 7.690 -4.076 6.026 1.00 0.00 H new ATOM 0 HA ILE A 21 7.257 -1.754 4.268 1.00 0.00 H new ATOM 0 HB ILE A 21 6.596 -1.954 7.237 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.755 -1.313 4.914 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.971 -2.940 5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.865 0.388 7.026 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.602 0.209 6.686 1.00 0.00 H new ATOM 0 HG23 ILE A 21 6.451 0.416 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.976 -1.900 6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.183 -2.219 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.964 -0.567 7.131 1.00 0.00 H new ATOM 288 N GLN A 22 9.705 -1.414 4.727 1.00 0.00 N ATOM 289 CA GLN A 22 11.074 -0.997 5.008 1.00 0.00 C ATOM 290 C GLN A 22 11.131 0.487 5.354 1.00 0.00 C ATOM 291 O GLN A 22 10.518 1.315 4.680 1.00 0.00 O ATOM 292 CB GLN A 22 11.974 -1.288 3.806 1.00 0.00 C ATOM 293 CG GLN A 22 13.451 -1.362 4.156 1.00 0.00 C ATOM 294 CD GLN A 22 14.345 -1.306 2.933 1.00 0.00 C ATOM 295 OE1 GLN A 22 14.827 -0.240 2.550 1.00 0.00 O ATOM 296 NE2 GLN A 22 14.571 -2.458 2.311 1.00 0.00 N ATOM 0 H GLN A 22 9.470 -1.451 3.735 1.00 0.00 H new ATOM 0 HA GLN A 22 11.432 -1.565 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.669 -2.232 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.825 -0.512 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.704 -0.538 4.824 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.645 -2.286 4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.151 -3.318 2.663 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.164 -2.482 1.482 1.00 0.00 H new ATOM 305 N ILE A 23 11.869 0.815 6.409 1.00 0.00 N ATOM 306 CA ILE A 23 12.006 2.200 6.844 1.00 0.00 C ATOM 307 C ILE A 23 13.467 2.556 7.094 1.00 0.00 C ATOM 308 O ILE A 23 14.172 1.855 7.820 1.00 0.00 O ATOM 309 CB ILE A 23 11.197 2.470 8.127 1.00 0.00 C ATOM 310 CG1 ILE A 23 9.715 2.166 7.895 1.00 0.00 C ATOM 311 CG2 ILE A 23 11.384 3.911 8.577 1.00 0.00 C ATOM 312 CD1 ILE A 23 8.972 3.283 7.197 1.00 0.00 C ATOM 0 H ILE A 23 12.381 0.141 6.978 1.00 0.00 H new ATOM 0 HA ILE A 23 11.615 2.823 6.040 1.00 0.00 H new ATOM 0 HB ILE A 23 11.564 1.813 8.916 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.628 1.256 7.302 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.238 1.968 8.855 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.806 4.087 9.485 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.439 4.096 8.777 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.040 4.585 7.792 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.928 2.999 7.066 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.028 4.190 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.424 3.467 6.222 1.00 0.00 H new ATOM 324 N ASP A 24 13.916 3.650 6.488 1.00 0.00 N ATOM 325 CA ASP A 24 15.293 4.101 6.647 1.00 0.00 C ATOM 326 C ASP A 24 15.408 5.105 7.790 1.00 0.00 C ATOM 327 O ASP A 24 14.702 6.114 7.816 1.00 0.00 O ATOM 328 CB ASP A 24 15.800 4.728 5.347 1.00 0.00 C ATOM 329 CG ASP A 24 17.314 4.746 5.264 1.00 0.00 C ATOM 330 OD1 ASP A 24 17.953 3.887 5.907 1.00 0.00 O ATOM 331 OD2 ASP A 24 17.858 5.619 4.557 1.00 0.00 O ATOM 0 H ASP A 24 13.346 4.241 5.882 1.00 0.00 H new ATOM 0 HA ASP A 24 15.908 3.234 6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.399 4.173 4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.423 5.748 5.268 1.00 0.00 H new ATOM 336 N ARG A 25 16.300 4.822 8.733 1.00 0.00 N ATOM 337 CA ARG A 25 16.505 5.699 9.879 1.00 0.00 C ATOM 338 C ARG A 25 17.561 6.757 9.572 1.00 0.00 C ATOM 339 O ARG A 25 18.495 6.532 8.802 1.00 0.00 O ATOM 340 CB ARG A 25 16.926 4.883 11.103 1.00 0.00 C ATOM 341 CG ARG A 25 15.754 4.335 11.902 1.00 0.00 C ATOM 342 CD ARG A 25 15.260 3.015 11.330 1.00 0.00 C ATOM 343 NE ARG A 25 16.230 1.940 11.517 1.00 0.00 N ATOM 344 CZ ARG A 25 15.939 0.653 11.364 1.00 0.00 C ATOM 345 NH1 ARG A 25 14.712 0.283 11.024 1.00 0.00 N ATOM 346 NH2 ARG A 25 16.876 -0.267 11.552 1.00 0.00 N ATOM 0 H ARG A 25 16.893 3.992 8.726 1.00 0.00 H new ATOM 0 HA ARG A 25 15.562 6.203 10.093 1.00 0.00 H new ATOM 0 HB2 ARG A 25 17.553 4.053 10.778 1.00 0.00 H new ATOM 0 HB3 ARG A 25 17.538 5.508 11.753 1.00 0.00 H new ATOM 0 HG2 ARG A 25 16.054 4.194 12.940 1.00 0.00 H new ATOM 0 HG3 ARG A 25 14.941 5.061 11.901 1.00 0.00 H new ATOM 0 HD2 ARG A 25 14.320 2.742 11.809 1.00 0.00 H new ATOM 0 HD3 ARG A 25 15.053 3.136 10.267 1.00 0.00 H new ATOM 0 HE ARG A 25 17.183 2.191 11.779 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.989 0.987 10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.491 -0.706 10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 25 17.821 0.014 11.814 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.652 -1.255 11.434 1.00 0.00 H new ATOM 360 N PRO A 26 17.411 7.939 10.188 1.00 0.00 N ATOM 361 CA PRO A 26 18.342 9.055 9.996 1.00 0.00 C ATOM 362 C PRO A 26 19.704 8.788 10.627 1.00 0.00 C ATOM 363 O PRO A 26 19.927 9.093 11.798 1.00 0.00 O ATOM 364 CB PRO A 26 17.646 10.222 10.700 1.00 0.00 C ATOM 365 CG PRO A 26 16.768 9.581 11.719 1.00 0.00 C ATOM 366 CD PRO A 26 16.322 8.277 11.119 1.00 0.00 C ATOM 0 HA PRO A 26 18.548 9.237 8.941 1.00 0.00 H new ATOM 0 HB2 PRO A 26 18.369 10.892 11.166 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.066 10.819 9.997 1.00 0.00 H new ATOM 0 HG2 PRO A 26 17.308 9.417 12.652 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.913 10.216 11.953 1.00 0.00 H new ATOM 0 HD2 PRO A 26 16.191 7.508 11.881 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.368 8.378 10.602 1.00 0.00 H new ATOM 374 N ALA A 27 20.613 8.219 9.843 1.00 0.00 N ATOM 375 CA ALA A 27 21.955 7.914 10.324 1.00 0.00 C ATOM 376 C ALA A 27 23.009 8.692 9.543 1.00 0.00 C ATOM 377 O ALA A 27 23.918 9.284 10.126 1.00 0.00 O ATOM 378 CB ALA A 27 22.223 6.419 10.230 1.00 0.00 C ATOM 0 H ALA A 27 20.445 7.960 8.871 1.00 0.00 H new ATOM 0 HA ALA A 27 22.017 8.218 11.369 1.00 0.00 H new ATOM 0 HB1 ALA A 27 23.229 6.206 10.593 1.00 0.00 H new ATOM 0 HB2 ALA A 27 21.496 5.880 10.838 1.00 0.00 H new ATOM 0 HB3 ALA A 27 22.136 6.098 9.192 1.00 0.00 H new ATOM 384 N THR A 28 22.882 8.687 8.220 1.00 0.00 N ATOM 385 CA THR A 28 23.824 9.391 7.359 1.00 0.00 C ATOM 386 C THR A 28 23.273 10.747 6.934 1.00 0.00 C ATOM 387 O THR A 28 23.467 11.179 5.799 1.00 0.00 O ATOM 388 CB THR A 28 24.158 8.568 6.101 1.00 0.00 C ATOM 389 OG1 THR A 28 24.516 7.232 6.470 1.00 0.00 O ATOM 390 CG2 THR A 28 25.297 9.208 5.322 1.00 0.00 C ATOM 0 H THR A 28 22.136 8.203 7.721 1.00 0.00 H new ATOM 0 HA THR A 28 24.734 9.538 7.940 1.00 0.00 H new ATOM 0 HB THR A 28 23.273 8.543 5.465 1.00 0.00 H new ATOM 0 HG1 THR A 28 24.725 6.715 5.664 1.00 0.00 H new ATOM 0 HG21 THR A 28 25.515 8.609 4.438 1.00 0.00 H new ATOM 0 HG22 THR A 28 25.009 10.214 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 28 26.185 9.261 5.952 1.00 0.00 H new ATOM 398 N GLY A 29 22.584 11.416 7.855 1.00 0.00 N ATOM 399 CA GLY A 29 22.016 12.718 7.556 1.00 0.00 C ATOM 400 C GLY A 29 20.564 12.827 7.977 1.00 0.00 C ATOM 401 O GLY A 29 19.658 12.608 7.172 1.00 0.00 O ATOM 0 H GLY A 29 22.409 11.079 8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 29 22.597 13.489 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 29 22.096 12.909 6.486 1.00 0.00 H new ATOM 405 N THR A 30 20.341 13.166 9.243 1.00 0.00 N ATOM 406 CA THR A 30 18.989 13.301 9.770 1.00 0.00 C ATOM 407 C THR A 30 18.160 14.258 8.921 1.00 0.00 C ATOM 408 O THR A 30 18.513 15.425 8.759 1.00 0.00 O ATOM 409 CB THR A 30 19.002 13.806 11.226 1.00 0.00 C ATOM 410 OG1 THR A 30 19.719 12.886 12.057 1.00 0.00 O ATOM 411 CG2 THR A 30 17.585 13.974 11.753 1.00 0.00 C ATOM 0 H THR A 30 21.079 13.352 9.922 1.00 0.00 H new ATOM 0 HA THR A 30 18.538 12.309 9.740 1.00 0.00 H new ATOM 0 HB THR A 30 19.498 14.776 11.246 1.00 0.00 H new ATOM 0 HG1 THR A 30 19.724 13.215 12.980 1.00 0.00 H new ATOM 0 HG21 THR A 30 17.620 14.331 12.782 1.00 0.00 H new ATOM 0 HG22 THR A 30 17.051 14.696 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 30 17.068 13.015 11.719 1.00 0.00 H new ATOM 419 N GLY A 31 17.054 13.755 8.380 1.00 0.00 N ATOM 420 CA GLY A 31 16.192 14.579 7.553 1.00 0.00 C ATOM 421 C GLY A 31 15.150 13.766 6.812 1.00 0.00 C ATOM 422 O GLY A 31 14.542 12.858 7.379 1.00 0.00 O ATOM 0 H GLY A 31 16.740 12.792 8.500 1.00 0.00 H new ATOM 0 HA2 GLY A 31 15.693 15.319 8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 31 16.800 15.127 6.833 1.00 0.00 H new ATOM 426 N SER A 32 14.941 14.092 5.540 1.00 0.00 N ATOM 427 CA SER A 32 13.961 13.389 4.721 1.00 0.00 C ATOM 428 C SER A 32 14.083 11.879 4.904 1.00 0.00 C ATOM 429 O SER A 32 15.111 11.283 4.579 1.00 0.00 O ATOM 430 CB SER A 32 14.142 13.751 3.246 1.00 0.00 C ATOM 431 OG SER A 32 13.418 12.866 2.410 1.00 0.00 O ATOM 0 H SER A 32 15.438 14.839 5.055 1.00 0.00 H new ATOM 0 HA SER A 32 12.967 13.698 5.044 1.00 0.00 H new ATOM 0 HB2 SER A 32 13.806 14.774 3.076 1.00 0.00 H new ATOM 0 HB3 SER A 32 15.200 13.716 2.987 1.00 0.00 H new ATOM 0 HG SER A 32 12.457 13.007 2.539 1.00 0.00 H new ATOM 437 N LYS A 33 13.027 11.265 5.428 1.00 0.00 N ATOM 438 CA LYS A 33 13.013 9.825 5.654 1.00 0.00 C ATOM 439 C LYS A 33 12.586 9.080 4.393 1.00 0.00 C ATOM 440 O LYS A 33 11.776 9.577 3.611 1.00 0.00 O ATOM 441 CB LYS A 33 12.070 9.478 6.808 1.00 0.00 C ATOM 442 CG LYS A 33 12.443 10.147 8.120 1.00 0.00 C ATOM 443 CD LYS A 33 11.496 9.746 9.239 1.00 0.00 C ATOM 444 CE LYS A 33 11.864 10.425 10.550 1.00 0.00 C ATOM 445 NZ LYS A 33 10.730 10.417 11.515 1.00 0.00 N ATOM 0 H LYS A 33 12.169 11.743 5.704 1.00 0.00 H new ATOM 0 HA LYS A 33 14.025 9.514 5.914 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.055 9.769 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.065 8.397 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 33 13.463 9.876 8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.423 11.230 7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.475 10.010 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.521 8.664 9.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.722 9.919 10.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.167 11.454 10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.020 10.889 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.920 10.922 11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.457 9.435 11.722 1.00 0.00 H new ATOM 459 N VAL A 34 13.134 7.884 4.203 1.00 0.00 N ATOM 460 CA VAL A 34 12.808 7.070 3.038 1.00 0.00 C ATOM 461 C VAL A 34 12.525 5.626 3.439 1.00 0.00 C ATOM 462 O VAL A 34 13.167 5.084 4.338 1.00 0.00 O ATOM 463 CB VAL A 34 13.947 7.090 2.002 1.00 0.00 C ATOM 464 CG1 VAL A 34 14.506 8.496 1.850 1.00 0.00 C ATOM 465 CG2 VAL A 34 15.043 6.112 2.396 1.00 0.00 C ATOM 0 H VAL A 34 13.806 7.457 4.841 1.00 0.00 H new ATOM 0 HA VAL A 34 11.913 7.502 2.590 1.00 0.00 H new ATOM 0 HB VAL A 34 13.543 6.779 1.038 1.00 0.00 H new ATOM 0 HG11 VAL A 34 15.310 8.490 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.715 9.168 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 34 14.895 8.839 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.840 6.139 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 34 15.446 6.390 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.630 5.105 2.448 1.00 0.00 H new ATOM 475 N GLY A 35 11.560 5.009 2.765 1.00 0.00 N ATOM 476 CA GLY A 35 11.209 3.633 3.065 1.00 0.00 C ATOM 477 C GLY A 35 10.515 2.945 1.905 1.00 0.00 C ATOM 478 O GLY A 35 10.155 3.587 0.919 1.00 0.00 O ATOM 0 H GLY A 35 11.015 5.437 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.111 3.079 3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.558 3.610 3.939 1.00 0.00 H new ATOM 482 N LYS A 36 10.329 1.635 2.022 1.00 0.00 N ATOM 483 CA LYS A 36 9.674 0.859 0.976 1.00 0.00 C ATOM 484 C LYS A 36 8.479 0.093 1.534 1.00 0.00 C ATOM 485 O LYS A 36 8.397 -0.159 2.737 1.00 0.00 O ATOM 486 CB LYS A 36 10.667 -0.118 0.340 1.00 0.00 C ATOM 487 CG LYS A 36 11.643 0.545 -0.616 1.00 0.00 C ATOM 488 CD LYS A 36 12.073 -0.406 -1.721 1.00 0.00 C ATOM 489 CE LYS A 36 12.571 -1.728 -1.155 1.00 0.00 C ATOM 490 NZ LYS A 36 13.583 -2.365 -2.042 1.00 0.00 N ATOM 0 H LYS A 36 10.623 1.088 2.831 1.00 0.00 H new ATOM 0 HA LYS A 36 9.316 1.552 0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.228 -0.619 1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.113 -0.889 -0.196 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.180 1.429 -1.055 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.520 0.884 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.234 -0.589 -2.392 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.861 0.057 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.006 -1.560 -0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.728 -2.406 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.897 -3.263 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.161 -2.548 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.399 -1.729 -2.150 1.00 0.00 H new ATOM 504 N LEU A 37 7.555 -0.275 0.654 1.00 0.00 N ATOM 505 CA LEU A 37 6.364 -1.014 1.059 1.00 0.00 C ATOM 506 C LEU A 37 5.999 -2.070 0.020 1.00 0.00 C ATOM 507 O LEU A 37 5.900 -1.776 -1.172 1.00 0.00 O ATOM 508 CB LEU A 37 5.189 -0.055 1.262 1.00 0.00 C ATOM 509 CG LEU A 37 3.798 -0.689 1.267 1.00 0.00 C ATOM 510 CD1 LEU A 37 3.404 -1.102 2.677 1.00 0.00 C ATOM 511 CD2 LEU A 37 2.772 0.272 0.685 1.00 0.00 C ATOM 0 H LEU A 37 7.607 -0.074 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 37 6.582 -1.517 2.001 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.332 0.467 2.208 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.220 0.698 0.474 1.00 0.00 H new ATOM 0 HG LEU A 37 3.825 -1.582 0.643 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.411 -1.551 2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.124 -1.826 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.395 -0.225 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.788 -0.196 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.747 1.183 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.045 0.518 -0.341 1.00 0.00 H new ATOM 523 N THR A 38 5.797 -3.301 0.480 1.00 0.00 N ATOM 524 CA THR A 38 5.441 -4.400 -0.408 1.00 0.00 C ATOM 525 C THR A 38 4.030 -4.901 -0.125 1.00 0.00 C ATOM 526 O THR A 38 3.722 -5.321 0.991 1.00 0.00 O ATOM 527 CB THR A 38 6.429 -5.575 -0.271 1.00 0.00 C ATOM 528 OG1 THR A 38 7.754 -5.142 -0.599 1.00 0.00 O ATOM 529 CG2 THR A 38 6.027 -6.728 -1.178 1.00 0.00 C ATOM 0 H THR A 38 5.874 -3.561 1.463 1.00 0.00 H new ATOM 0 HA THR A 38 5.488 -4.012 -1.426 1.00 0.00 H new ATOM 0 HB THR A 38 6.406 -5.922 0.762 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.376 -5.894 -0.508 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.739 -7.546 -1.064 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.030 -7.074 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.024 -6.391 -2.215 1.00 0.00 H new ATOM 537 N LEU A 39 3.176 -4.856 -1.141 1.00 0.00 N ATOM 538 CA LEU A 39 1.796 -5.307 -1.002 1.00 0.00 C ATOM 539 C LEU A 39 1.534 -6.536 -1.867 1.00 0.00 C ATOM 540 O LEU A 39 1.849 -6.549 -3.057 1.00 0.00 O ATOM 541 CB LEU A 39 0.830 -4.184 -1.385 1.00 0.00 C ATOM 542 CG LEU A 39 0.373 -3.274 -0.245 1.00 0.00 C ATOM 543 CD1 LEU A 39 1.572 -2.676 0.475 1.00 0.00 C ATOM 544 CD2 LEU A 39 -0.537 -2.174 -0.774 1.00 0.00 C ATOM 0 H LEU A 39 3.415 -4.512 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 39 1.632 -5.579 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.306 -3.567 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 -4.631 -1.842 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.191 -3.874 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.227 -2.031 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.186 -3.477 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.164 -2.091 -0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.853 -1.535 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.003 -1.577 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.413 -2.621 -1.243 1.00 0.00 H new ATOM 556 N LYS A 40 0.955 -7.567 -1.261 1.00 0.00 N ATOM 557 CA LYS A 40 0.647 -8.800 -1.975 1.00 0.00 C ATOM 558 C LYS A 40 -0.749 -8.740 -2.588 1.00 0.00 C ATOM 559 O LYS A 40 -1.751 -8.924 -1.896 1.00 0.00 O ATOM 560 CB LYS A 40 0.750 -10.000 -1.031 1.00 0.00 C ATOM 561 CG LYS A 40 0.674 -11.341 -1.741 1.00 0.00 C ATOM 562 CD LYS A 40 0.869 -12.496 -0.773 1.00 0.00 C ATOM 563 CE LYS A 40 2.331 -12.660 -0.387 1.00 0.00 C ATOM 564 NZ LYS A 40 2.486 -13.391 0.901 1.00 0.00 N ATOM 0 H LYS A 40 0.689 -7.573 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 40 1.373 -8.915 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.691 -9.941 -0.483 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -0.052 -9.942 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.293 -11.438 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.435 -11.385 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.272 -12.326 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.506 -13.418 -1.227 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.857 -13.198 -1.176 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.797 -11.678 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.497 -13.482 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.006 -12.865 1.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.064 -14.338 0.816 1.00 0.00 H new ATOM 578 N THR A 41 -0.808 -8.482 -3.891 1.00 0.00 N ATOM 579 CA THR A 41 -2.080 -8.398 -4.596 1.00 0.00 C ATOM 580 C THR A 41 -2.441 -9.732 -5.240 1.00 0.00 C ATOM 581 O THR A 41 -1.624 -10.653 -5.286 1.00 0.00 O ATOM 582 CB THR A 41 -2.048 -7.308 -5.685 1.00 0.00 C ATOM 583 OG1 THR A 41 -1.063 -7.631 -6.672 1.00 0.00 O ATOM 584 CG2 THR A 41 -1.740 -5.947 -5.079 1.00 0.00 C ATOM 0 H THR A 41 0.011 -8.328 -4.479 1.00 0.00 H new ATOM 0 HA THR A 41 -2.836 -8.139 -3.854 1.00 0.00 H new ATOM 0 HB THR A 41 -3.031 -7.265 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.619 -8.470 -6.429 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.723 -5.194 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.508 -5.691 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.768 -5.980 -4.586 1.00 0.00 H new ATOM 592 N THR A 42 -3.670 -9.831 -5.736 1.00 0.00 N ATOM 593 CA THR A 42 -4.140 -11.053 -6.377 1.00 0.00 C ATOM 594 C THR A 42 -3.007 -11.758 -7.114 1.00 0.00 C ATOM 595 O THR A 42 -2.547 -11.290 -8.155 1.00 0.00 O ATOM 596 CB THR A 42 -5.281 -10.764 -7.370 1.00 0.00 C ATOM 597 OG1 THR A 42 -6.379 -10.147 -6.688 1.00 0.00 O ATOM 598 CG2 THR A 42 -5.751 -12.046 -8.042 1.00 0.00 C ATOM 0 H THR A 42 -4.359 -9.079 -5.706 1.00 0.00 H new ATOM 0 HA THR A 42 -4.514 -11.701 -5.585 1.00 0.00 H new ATOM 0 HB THR A 42 -4.903 -10.088 -8.137 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.100 -9.965 -7.326 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.557 -11.817 -8.739 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.920 -12.498 -8.584 1.00 0.00 H new ATOM 0 HG23 THR A 42 -6.112 -12.742 -7.285 1.00 0.00 H new ATOM 606 N GLU A 43 -2.562 -12.885 -6.568 1.00 0.00 N ATOM 607 CA GLU A 43 -1.481 -13.653 -7.175 1.00 0.00 C ATOM 608 C GLU A 43 -0.478 -12.732 -7.863 1.00 0.00 C ATOM 609 O GLU A 43 -0.067 -12.980 -8.996 1.00 0.00 O ATOM 610 CB GLU A 43 -2.044 -14.656 -8.184 1.00 0.00 C ATOM 611 CG GLU A 43 -2.425 -15.992 -7.567 1.00 0.00 C ATOM 612 CD GLU A 43 -2.489 -17.110 -8.590 1.00 0.00 C ATOM 613 OE1 GLU A 43 -3.486 -17.173 -9.339 1.00 0.00 O ATOM 614 OE2 GLU A 43 -1.541 -17.922 -8.641 1.00 0.00 O ATOM 0 H GLU A 43 -2.933 -13.287 -5.707 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.965 -14.195 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.922 -14.223 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.305 -14.825 -8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.700 -16.252 -6.795 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.394 -15.898 -7.076 1.00 0.00 H new ATOM 621 N MET A 44 -0.090 -11.667 -7.169 1.00 0.00 N ATOM 622 CA MET A 44 0.865 -10.708 -7.712 1.00 0.00 C ATOM 623 C MET A 44 1.366 -9.764 -6.624 1.00 0.00 C ATOM 624 O MET A 44 0.581 -9.237 -5.837 1.00 0.00 O ATOM 625 CB MET A 44 0.225 -9.905 -8.846 1.00 0.00 C ATOM 626 CG MET A 44 0.779 -8.495 -8.980 1.00 0.00 C ATOM 627 SD MET A 44 -0.086 -7.525 -10.229 1.00 0.00 S ATOM 628 CE MET A 44 -0.613 -6.115 -9.258 1.00 0.00 C ATOM 0 H MET A 44 -0.422 -11.446 -6.230 1.00 0.00 H new ATOM 0 HA MET A 44 1.716 -11.264 -8.106 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.375 -10.436 -9.786 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.851 -9.850 -8.679 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.708 -7.988 -8.018 1.00 0.00 H new ATOM 0 HG3 MET A 44 1.837 -8.547 -9.235 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.649 -5.229 -9.892 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.604 -6.307 -8.846 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.093 -5.949 -8.444 1.00 0.00 H new ATOM 638 N GLU A 45 2.679 -9.555 -6.586 1.00 0.00 N ATOM 639 CA GLU A 45 3.283 -8.675 -5.593 1.00 0.00 C ATOM 640 C GLU A 45 3.907 -7.451 -6.258 1.00 0.00 C ATOM 641 O GLU A 45 4.360 -7.514 -7.402 1.00 0.00 O ATOM 642 CB GLU A 45 4.345 -9.429 -4.790 1.00 0.00 C ATOM 643 CG GLU A 45 4.695 -8.764 -3.469 1.00 0.00 C ATOM 644 CD GLU A 45 6.130 -9.016 -3.051 1.00 0.00 C ATOM 645 OE1 GLU A 45 6.389 -10.055 -2.410 1.00 0.00 O ATOM 646 OE2 GLU A 45 6.996 -8.172 -3.366 1.00 0.00 O ATOM 0 H GLU A 45 3.343 -9.983 -7.231 1.00 0.00 H new ATOM 0 HA GLU A 45 2.497 -8.339 -4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.990 -10.441 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.249 -9.519 -5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.528 -7.690 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.024 -9.132 -2.692 1.00 0.00 H new ATOM 653 N THR A 46 3.925 -6.336 -5.534 1.00 0.00 N ATOM 654 CA THR A 46 4.491 -5.097 -6.053 1.00 0.00 C ATOM 655 C THR A 46 5.093 -4.257 -4.933 1.00 0.00 C ATOM 656 O THR A 46 4.587 -4.246 -3.811 1.00 0.00 O ATOM 657 CB THR A 46 3.429 -4.262 -6.793 1.00 0.00 C ATOM 658 OG1 THR A 46 2.845 -5.034 -7.848 1.00 0.00 O ATOM 659 CG2 THR A 46 4.042 -2.993 -7.366 1.00 0.00 C ATOM 0 H THR A 46 3.554 -6.266 -4.586 1.00 0.00 H new ATOM 0 HA THR A 46 5.276 -5.377 -6.755 1.00 0.00 H new ATOM 0 HB THR A 46 2.655 -3.983 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.170 -4.496 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.273 -2.419 -7.884 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.459 -2.393 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.833 -3.256 -8.068 1.00 0.00 H new ATOM 667 N ILE A 47 6.176 -3.553 -5.245 1.00 0.00 N ATOM 668 CA ILE A 47 6.846 -2.708 -4.265 1.00 0.00 C ATOM 669 C ILE A 47 6.618 -1.230 -4.565 1.00 0.00 C ATOM 670 O ILE A 47 6.962 -0.744 -5.643 1.00 0.00 O ATOM 671 CB ILE A 47 8.361 -2.983 -4.225 1.00 0.00 C ATOM 672 CG1 ILE A 47 8.624 -4.484 -4.087 1.00 0.00 C ATOM 673 CG2 ILE A 47 9.008 -2.219 -3.080 1.00 0.00 C ATOM 674 CD1 ILE A 47 8.742 -5.201 -5.414 1.00 0.00 C ATOM 0 H ILE A 47 6.608 -3.551 -6.169 1.00 0.00 H new ATOM 0 HA ILE A 47 6.415 -2.951 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 47 8.803 -2.639 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.543 -4.633 -3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.816 -4.935 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 47 10.078 -2.424 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.845 -1.150 -3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.565 -2.535 -2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.928 -6.261 -5.240 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.815 -5.083 -5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.568 -4.777 -5.985 1.00 0.00 H new ATOM 686 N TYR A 48 6.037 -0.520 -3.605 1.00 0.00 N ATOM 687 CA TYR A 48 5.761 0.903 -3.766 1.00 0.00 C ATOM 688 C TYR A 48 6.832 1.746 -3.081 1.00 0.00 C ATOM 689 O TYR A 48 7.336 1.385 -2.017 1.00 0.00 O ATOM 690 CB TYR A 48 4.384 1.245 -3.195 1.00 0.00 C ATOM 691 CG TYR A 48 3.252 0.487 -3.849 1.00 0.00 C ATOM 692 CD1 TYR A 48 2.971 -0.826 -3.493 1.00 0.00 C ATOM 693 CD2 TYR A 48 2.461 1.085 -4.823 1.00 0.00 C ATOM 694 CE1 TYR A 48 1.938 -1.523 -4.089 1.00 0.00 C ATOM 695 CE2 TYR A 48 1.425 0.396 -5.424 1.00 0.00 C ATOM 696 CZ TYR A 48 1.167 -0.907 -5.053 1.00 0.00 C ATOM 697 OH TYR A 48 0.136 -1.598 -5.648 1.00 0.00 O ATOM 0 H TYR A 48 5.748 -0.906 -2.706 1.00 0.00 H new ATOM 0 HA TYR A 48 5.771 1.131 -4.832 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.381 1.034 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.208 2.315 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.571 -1.310 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.660 2.106 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.735 -2.544 -3.802 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.821 0.875 -6.180 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.225 -2.254 -5.016 1.00 0.00 H new ATOM 707 N ASP A 49 7.175 2.871 -3.700 1.00 0.00 N ATOM 708 CA ASP A 49 8.185 3.768 -3.150 1.00 0.00 C ATOM 709 C ASP A 49 7.548 4.805 -2.230 1.00 0.00 C ATOM 710 O ASP A 49 6.537 5.418 -2.574 1.00 0.00 O ATOM 711 CB ASP A 49 8.945 4.467 -4.279 1.00 0.00 C ATOM 712 CG ASP A 49 10.089 3.629 -4.813 1.00 0.00 C ATOM 713 OD1 ASP A 49 11.157 3.599 -4.164 1.00 0.00 O ATOM 714 OD2 ASP A 49 9.918 3.001 -5.879 1.00 0.00 O ATOM 0 H ASP A 49 6.769 3.183 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 49 8.886 3.172 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.255 4.694 -5.091 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.334 5.418 -3.916 1.00 0.00 H new ATOM 719 N LEU A 50 8.146 4.995 -1.059 1.00 0.00 N ATOM 720 CA LEU A 50 7.637 5.957 -0.088 1.00 0.00 C ATOM 721 C LEU A 50 8.607 7.122 0.085 1.00 0.00 C ATOM 722 O LEU A 50 9.823 6.935 0.089 1.00 0.00 O ATOM 723 CB LEU A 50 7.398 5.274 1.259 1.00 0.00 C ATOM 724 CG LEU A 50 6.791 3.872 1.202 1.00 0.00 C ATOM 725 CD1 LEU A 50 6.904 3.185 2.554 1.00 0.00 C ATOM 726 CD2 LEU A 50 5.337 3.938 0.756 1.00 0.00 C ATOM 0 H LEU A 50 8.983 4.496 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 50 6.691 6.348 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.349 5.215 1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.741 5.909 1.854 1.00 0.00 H new ATOM 0 HG LEU A 50 7.349 3.286 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.467 2.188 2.493 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.954 3.104 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.372 3.770 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.921 2.931 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.767 4.542 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.280 4.388 -0.235 1.00 0.00 H new ATOM 738 N GLY A 51 8.060 8.325 0.230 1.00 0.00 N ATOM 739 CA GLY A 51 8.891 9.502 0.404 1.00 0.00 C ATOM 740 C GLY A 51 9.048 9.891 1.860 1.00 0.00 C ATOM 741 O GLY A 51 9.516 9.097 2.677 1.00 0.00 O ATOM 0 H GLY A 51 7.056 8.506 0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.875 9.315 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.455 10.336 -0.146 1.00 0.00 H new ATOM 745 N THR A 52 8.658 11.119 2.189 1.00 0.00 N ATOM 746 CA THR A 52 8.760 11.613 3.556 1.00 0.00 C ATOM 747 C THR A 52 7.381 11.876 4.150 1.00 0.00 C ATOM 748 O THR A 52 7.219 11.930 5.369 1.00 0.00 O ATOM 749 CB THR A 52 9.591 12.908 3.624 1.00 0.00 C ATOM 750 OG1 THR A 52 10.896 12.682 3.079 1.00 0.00 O ATOM 751 CG2 THR A 52 9.714 13.397 5.059 1.00 0.00 C ATOM 0 H THR A 52 8.268 11.790 1.526 1.00 0.00 H new ATOM 0 HA THR A 52 9.260 10.838 4.136 1.00 0.00 H new ATOM 0 HB THR A 52 9.080 13.672 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 52 11.161 11.752 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.305 14.313 5.082 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.721 13.596 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.204 12.633 5.663 1.00 0.00 H new ATOM 759 N LYS A 53 6.389 12.039 3.282 1.00 0.00 N ATOM 760 CA LYS A 53 5.022 12.294 3.720 1.00 0.00 C ATOM 761 C LYS A 53 4.245 10.990 3.867 1.00 0.00 C ATOM 762 O LYS A 53 3.490 10.811 4.822 1.00 0.00 O ATOM 763 CB LYS A 53 4.310 13.215 2.726 1.00 0.00 C ATOM 764 CG LYS A 53 4.488 14.692 3.030 1.00 0.00 C ATOM 765 CD LYS A 53 5.795 15.224 2.466 1.00 0.00 C ATOM 766 CE LYS A 53 5.678 15.530 0.981 1.00 0.00 C ATOM 767 NZ LYS A 53 6.012 14.346 0.142 1.00 0.00 N ATOM 0 H LYS A 53 6.506 11.999 2.270 1.00 0.00 H new ATOM 0 HA LYS A 53 5.064 12.783 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.684 13.012 1.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.246 12.979 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.654 15.254 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.466 14.848 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.083 16.128 3.003 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.586 14.492 2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.663 15.859 0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.344 16.355 0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.564 14.651 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.571 13.671 0.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.135 13.888 -0.178 1.00 0.00 H new ATOM 781 N MET A 54 4.437 10.081 2.916 1.00 0.00 N ATOM 782 CA MET A 54 3.756 8.792 2.943 1.00 0.00 C ATOM 783 C MET A 54 4.100 8.021 4.213 1.00 0.00 C ATOM 784 O MET A 54 3.280 7.263 4.732 1.00 0.00 O ATOM 785 CB MET A 54 4.134 7.966 1.712 1.00 0.00 C ATOM 786 CG MET A 54 3.316 8.306 0.477 1.00 0.00 C ATOM 787 SD MET A 54 3.751 7.289 -0.947 1.00 0.00 S ATOM 788 CE MET A 54 2.148 7.079 -1.716 1.00 0.00 C ATOM 0 H MET A 54 5.058 10.213 2.118 1.00 0.00 H new ATOM 0 HA MET A 54 2.682 8.977 2.932 1.00 0.00 H new ATOM 0 HB2 MET A 54 5.190 8.120 1.492 1.00 0.00 H new ATOM 0 HB3 MET A 54 4.007 6.908 1.942 1.00 0.00 H new ATOM 0 HG2 MET A 54 2.257 8.177 0.701 1.00 0.00 H new ATOM 0 HG3 MET A 54 3.463 9.357 0.227 1.00 0.00 H new ATOM 0 HE1 MET A 54 2.218 6.331 -2.505 1.00 0.00 H new ATOM 0 HE2 MET A 54 1.426 6.751 -0.968 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.822 8.027 -2.143 1.00 0.00 H new ATOM 798 N ILE A 55 5.317 8.220 4.708 1.00 0.00 N ATOM 799 CA ILE A 55 5.769 7.543 5.918 1.00 0.00 C ATOM 800 C ILE A 55 5.134 8.157 7.161 1.00 0.00 C ATOM 801 O ILE A 55 4.751 7.447 8.089 1.00 0.00 O ATOM 802 CB ILE A 55 7.302 7.601 6.056 1.00 0.00 C ATOM 803 CG1 ILE A 55 7.968 6.812 4.927 1.00 0.00 C ATOM 804 CG2 ILE A 55 7.732 7.061 7.412 1.00 0.00 C ATOM 805 CD1 ILE A 55 9.478 6.895 4.941 1.00 0.00 C ATOM 0 H ILE A 55 6.007 8.844 4.290 1.00 0.00 H new ATOM 0 HA ILE A 55 5.459 6.501 5.832 1.00 0.00 H new ATOM 0 HB ILE A 55 7.620 8.641 5.983 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.669 5.766 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.601 7.183 3.970 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.818 7.108 7.495 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.281 7.661 8.202 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.405 6.026 7.512 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.882 6.312 4.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.786 7.935 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.856 6.497 5.883 1.00 0.00 H new ATOM 817 N GLU A 56 5.024 9.482 7.169 1.00 0.00 N ATOM 818 CA GLU A 56 4.434 10.192 8.298 1.00 0.00 C ATOM 819 C GLU A 56 3.053 9.633 8.631 1.00 0.00 C ATOM 820 O GLU A 56 2.595 9.719 9.770 1.00 0.00 O ATOM 821 CB GLU A 56 4.331 11.687 7.992 1.00 0.00 C ATOM 822 CG GLU A 56 5.678 12.386 7.912 1.00 0.00 C ATOM 823 CD GLU A 56 6.179 12.842 9.269 1.00 0.00 C ATOM 824 OE1 GLU A 56 5.421 13.532 9.981 1.00 0.00 O ATOM 825 OE2 GLU A 56 7.331 12.508 9.617 1.00 0.00 O ATOM 0 H GLU A 56 5.335 10.085 6.407 1.00 0.00 H new ATOM 0 HA GLU A 56 5.083 10.050 9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.805 11.820 7.047 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.728 12.166 8.763 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.408 11.710 7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.597 13.248 7.250 1.00 0.00 H new ATOM 832 N SER A 57 2.396 9.061 7.627 1.00 0.00 N ATOM 833 CA SER A 57 1.066 8.492 7.810 1.00 0.00 C ATOM 834 C SER A 57 1.149 7.117 8.465 1.00 0.00 C ATOM 835 O SER A 57 0.553 6.879 9.517 1.00 0.00 O ATOM 836 CB SER A 57 0.343 8.387 6.466 1.00 0.00 C ATOM 837 OG SER A 57 -0.965 7.867 6.630 1.00 0.00 O ATOM 0 H SER A 57 2.763 8.979 6.679 1.00 0.00 H new ATOM 0 HA SER A 57 0.502 9.154 8.466 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.291 9.371 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.911 7.745 5.793 1.00 0.00 H new ATOM 0 HG SER A 57 -1.382 7.748 5.751 1.00 0.00 H new ATOM 843 N LEU A 58 1.892 6.213 7.836 1.00 0.00 N ATOM 844 CA LEU A 58 2.055 4.860 8.356 1.00 0.00 C ATOM 845 C LEU A 58 2.491 4.887 9.818 1.00 0.00 C ATOM 846 O LEU A 58 2.385 3.886 10.528 1.00 0.00 O ATOM 847 CB LEU A 58 3.079 4.091 7.520 1.00 0.00 C ATOM 848 CG LEU A 58 2.826 4.057 6.013 1.00 0.00 C ATOM 849 CD1 LEU A 58 3.476 2.831 5.390 1.00 0.00 C ATOM 850 CD2 LEU A 58 1.332 4.076 5.723 1.00 0.00 C ATOM 0 H LEU A 58 2.391 6.393 6.965 1.00 0.00 H new ATOM 0 HA LEU A 58 1.091 4.355 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.062 4.529 7.693 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.119 3.065 7.885 1.00 0.00 H new ATOM 0 HG LEU A 58 3.274 4.946 5.568 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.285 2.824 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.551 2.860 5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.058 1.930 5.839 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.170 4.051 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.861 3.206 6.181 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.893 4.985 6.135 1.00 0.00 H new ATOM 862 N THR A 59 2.981 6.040 10.262 1.00 0.00 N ATOM 863 CA THR A 59 3.433 6.198 11.639 1.00 0.00 C ATOM 864 C THR A 59 2.312 6.723 12.529 1.00 0.00 C ATOM 865 O THR A 59 2.155 6.289 13.670 1.00 0.00 O ATOM 866 CB THR A 59 4.636 7.156 11.729 1.00 0.00 C ATOM 867 OG1 THR A 59 4.400 8.315 10.921 1.00 0.00 O ATOM 868 CG2 THR A 59 5.913 6.466 11.275 1.00 0.00 C ATOM 0 H THR A 59 3.075 6.878 9.688 1.00 0.00 H new ATOM 0 HA THR A 59 3.737 5.211 11.987 1.00 0.00 H new ATOM 0 HB THR A 59 4.756 7.457 12.770 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.435 8.468 10.843 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.748 7.162 11.347 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.105 5.601 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.802 6.139 10.241 1.00 0.00 H new ATOM 876 N LYS A 60 1.532 7.660 11.999 1.00 0.00 N ATOM 877 CA LYS A 60 0.423 8.244 12.744 1.00 0.00 C ATOM 878 C LYS A 60 -0.675 7.213 12.981 1.00 0.00 C ATOM 879 O LYS A 60 -1.502 7.368 13.881 1.00 0.00 O ATOM 880 CB LYS A 60 -0.147 9.448 11.990 1.00 0.00 C ATOM 881 CG LYS A 60 -1.622 9.690 12.257 1.00 0.00 C ATOM 882 CD LYS A 60 -2.499 8.820 11.372 1.00 0.00 C ATOM 883 CE LYS A 60 -3.816 8.480 12.054 1.00 0.00 C ATOM 884 NZ LYS A 60 -4.478 9.689 12.617 1.00 0.00 N ATOM 0 H LYS A 60 1.648 8.031 11.056 1.00 0.00 H new ATOM 0 HA LYS A 60 0.802 8.575 13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.415 10.340 12.268 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.000 9.299 10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.842 9.483 13.304 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.857 10.740 12.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.697 9.337 10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.969 7.901 11.124 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.483 8.001 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.636 7.760 12.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.464 9.464 12.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.973 9.994 13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.460 10.454 11.913 1.00 0.00 H new ATOM 898 N ASP A 61 -0.677 6.160 12.171 1.00 0.00 N ATOM 899 CA ASP A 61 -1.673 5.102 12.295 1.00 0.00 C ATOM 900 C ASP A 61 -1.050 3.835 12.872 1.00 0.00 C ATOM 901 O ASP A 61 -1.756 2.913 13.282 1.00 0.00 O ATOM 902 CB ASP A 61 -2.302 4.802 10.933 1.00 0.00 C ATOM 903 CG ASP A 61 -1.274 4.752 9.820 1.00 0.00 C ATOM 904 OD1 ASP A 61 -0.069 4.642 10.128 1.00 0.00 O ATOM 905 OD2 ASP A 61 -1.675 4.822 8.639 1.00 0.00 O ATOM 0 H ASP A 61 -0.000 6.016 11.422 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.450 5.446 12.977 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.828 3.849 10.981 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.045 5.565 10.703 1.00 0.00 H new ATOM 910 N LYS A 62 0.278 3.794 12.900 1.00 0.00 N ATOM 911 CA LYS A 62 0.998 2.641 13.426 1.00 0.00 C ATOM 912 C LYS A 62 0.746 1.404 12.569 1.00 0.00 C ATOM 913 O LYS A 62 0.711 0.282 13.074 1.00 0.00 O ATOM 914 CB LYS A 62 0.576 2.366 14.871 1.00 0.00 C ATOM 915 CG LYS A 62 0.780 3.551 15.800 1.00 0.00 C ATOM 916 CD LYS A 62 2.243 3.720 16.175 1.00 0.00 C ATOM 917 CE LYS A 62 2.496 5.064 16.839 1.00 0.00 C ATOM 918 NZ LYS A 62 1.965 5.105 18.230 1.00 0.00 N ATOM 0 H LYS A 62 0.878 4.547 12.564 1.00 0.00 H new ATOM 0 HA LYS A 62 2.064 2.868 13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.476 2.080 14.885 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.142 1.516 15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.420 4.459 15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.185 3.413 16.703 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.542 2.918 16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.861 3.632 15.282 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.567 5.266 16.853 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.030 5.854 16.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.158 6.038 18.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.939 4.938 18.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.428 4.368 18.800 1.00 0.00 H new ATOM 932 N VAL A 63 0.572 1.617 11.268 1.00 0.00 N ATOM 933 CA VAL A 63 0.327 0.520 10.340 1.00 0.00 C ATOM 934 C VAL A 63 1.379 -0.573 10.490 1.00 0.00 C ATOM 935 O VAL A 63 2.558 -0.287 10.699 1.00 0.00 O ATOM 936 CB VAL A 63 0.317 1.011 8.880 1.00 0.00 C ATOM 937 CG1 VAL A 63 0.173 -0.162 7.923 1.00 0.00 C ATOM 938 CG2 VAL A 63 -0.798 2.024 8.667 1.00 0.00 C ATOM 0 H VAL A 63 0.596 2.539 10.833 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.654 0.112 10.585 1.00 0.00 H new ATOM 0 HB VAL A 63 1.268 1.502 8.673 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.168 0.204 6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.009 -0.848 8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.762 -0.685 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.791 2.361 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.759 1.560 8.891 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.645 2.878 9.327 1.00 0.00 H new ATOM 948 N GLN A 64 0.945 -1.824 10.380 1.00 0.00 N ATOM 949 CA GLN A 64 1.851 -2.960 10.504 1.00 0.00 C ATOM 950 C GLN A 64 1.539 -4.021 9.454 1.00 0.00 C ATOM 951 O GLN A 64 0.451 -4.040 8.880 1.00 0.00 O ATOM 952 CB GLN A 64 1.753 -3.567 11.904 1.00 0.00 C ATOM 953 CG GLN A 64 2.281 -2.656 13.000 1.00 0.00 C ATOM 954 CD GLN A 64 3.794 -2.673 13.096 1.00 0.00 C ATOM 955 OE1 GLN A 64 4.454 -1.659 12.869 1.00 0.00 O ATOM 956 NE2 GLN A 64 4.352 -3.830 13.435 1.00 0.00 N ATOM 0 H GLN A 64 -0.028 -2.077 10.205 1.00 0.00 H new ATOM 0 HA GLN A 64 2.868 -2.602 10.342 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.711 -3.808 12.114 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.308 -4.505 11.924 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.944 -1.636 12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.857 -2.961 13.957 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.766 -4.646 13.614 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.366 -3.903 13.516 1.00 0.00 H new ATOM 965 N ALA A 65 2.503 -4.903 9.207 1.00 0.00 N ATOM 966 CA ALA A 65 2.330 -5.968 8.227 1.00 0.00 C ATOM 967 C ALA A 65 1.118 -6.830 8.561 1.00 0.00 C ATOM 968 O ALA A 65 0.880 -7.162 9.721 1.00 0.00 O ATOM 969 CB ALA A 65 3.585 -6.825 8.153 1.00 0.00 C ATOM 0 H ALA A 65 3.411 -4.901 9.672 1.00 0.00 H new ATOM 0 HA ALA A 65 2.159 -5.508 7.254 1.00 0.00 H new ATOM 0 HB1 ALA A 65 3.442 -7.617 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.432 -6.205 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.781 -7.268 9.129 1.00 0.00 H new ATOM 975 N GLY A 66 0.352 -7.189 7.535 1.00 0.00 N ATOM 976 CA GLY A 66 -0.828 -8.009 7.741 1.00 0.00 C ATOM 977 C GLY A 66 -2.115 -7.243 7.504 1.00 0.00 C ATOM 978 O GLY A 66 -3.162 -7.839 7.250 1.00 0.00 O ATOM 0 H GLY A 66 0.527 -6.927 6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.791 -8.868 7.071 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.823 -8.399 8.759 1.00 0.00 H new ATOM 982 N ASP A 67 -2.038 -5.920 7.590 1.00 0.00 N ATOM 983 CA ASP A 67 -3.205 -5.071 7.384 1.00 0.00 C ATOM 984 C ASP A 67 -3.338 -4.677 5.916 1.00 0.00 C ATOM 985 O ASP A 67 -2.409 -4.852 5.129 1.00 0.00 O ATOM 986 CB ASP A 67 -3.111 -3.817 8.255 1.00 0.00 C ATOM 987 CG ASP A 67 -4.473 -3.311 8.690 1.00 0.00 C ATOM 988 OD1 ASP A 67 -5.132 -2.618 7.887 1.00 0.00 O ATOM 989 OD2 ASP A 67 -4.879 -3.609 9.832 1.00 0.00 O ATOM 0 H ASP A 67 -1.179 -5.412 7.801 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.091 -5.638 7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.509 -4.035 9.137 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.594 -3.032 7.702 1.00 0.00 H new ATOM 994 N VAL A 68 -4.502 -4.144 5.555 1.00 0.00 N ATOM 995 CA VAL A 68 -4.757 -3.725 4.182 1.00 0.00 C ATOM 996 C VAL A 68 -4.828 -2.206 4.075 1.00 0.00 C ATOM 997 O VAL A 68 -5.819 -1.592 4.473 1.00 0.00 O ATOM 998 CB VAL A 68 -6.068 -4.329 3.645 1.00 0.00 C ATOM 999 CG1 VAL A 68 -6.421 -3.725 2.294 1.00 0.00 C ATOM 1000 CG2 VAL A 68 -5.957 -5.843 3.549 1.00 0.00 C ATOM 0 H VAL A 68 -5.282 -3.993 6.194 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.925 -4.090 3.580 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.870 -4.090 4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.350 -4.164 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.546 -2.647 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.620 -3.930 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.892 -6.253 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.143 -6.106 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.756 -6.256 4.537 1.00 0.00 H new ATOM 1010 N ILE A 69 -3.773 -1.606 3.536 1.00 0.00 N ATOM 1011 CA ILE A 69 -3.717 -0.158 3.376 1.00 0.00 C ATOM 1012 C ILE A 69 -3.720 0.232 1.902 1.00 0.00 C ATOM 1013 O ILE A 69 -3.138 -0.457 1.064 1.00 0.00 O ATOM 1014 CB ILE A 69 -2.465 0.435 4.050 1.00 0.00 C ATOM 1015 CG1 ILE A 69 -1.206 0.038 3.276 1.00 0.00 C ATOM 1016 CG2 ILE A 69 -2.373 -0.028 5.496 1.00 0.00 C ATOM 1017 CD1 ILE A 69 -0.860 0.992 2.155 1.00 0.00 C ATOM 0 H ILE A 69 -2.945 -2.100 3.203 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.606 0.248 3.859 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.546 1.522 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.366 -0.016 3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.343 -0.961 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.483 0.399 5.959 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.258 0.300 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.311 -1.116 5.526 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.043 0.648 1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.683 1.029 1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.690 1.988 2.564 1.00 0.00 H new ATOM 1029 N THR A 70 -4.379 1.345 1.591 1.00 0.00 N ATOM 1030 CA THR A 70 -4.458 1.828 0.219 1.00 0.00 C ATOM 1031 C THR A 70 -3.373 2.862 -0.063 1.00 0.00 C ATOM 1032 O THR A 70 -2.655 3.284 0.843 1.00 0.00 O ATOM 1033 CB THR A 70 -5.835 2.451 -0.079 1.00 0.00 C ATOM 1034 OG1 THR A 70 -6.133 3.465 0.887 1.00 0.00 O ATOM 1035 CG2 THR A 70 -6.924 1.390 -0.060 1.00 0.00 C ATOM 0 H THR A 70 -4.865 1.928 2.272 1.00 0.00 H new ATOM 0 HA THR A 70 -4.311 0.964 -0.429 1.00 0.00 H new ATOM 0 HB THR A 70 -5.801 2.896 -1.073 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.009 3.857 0.690 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.887 1.853 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 70 -6.710 0.635 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.957 0.920 0.923 1.00 0.00 H new ATOM 1043 N ILE A 71 -3.261 3.265 -1.324 1.00 0.00 N ATOM 1044 CA ILE A 71 -2.264 4.251 -1.724 1.00 0.00 C ATOM 1045 C ILE A 71 -2.808 5.172 -2.812 1.00 0.00 C ATOM 1046 O ILE A 71 -2.974 4.762 -3.961 1.00 0.00 O ATOM 1047 CB ILE A 71 -0.978 3.576 -2.235 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -0.263 2.857 -1.088 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -0.059 4.604 -2.877 1.00 0.00 C ATOM 1050 CD1 ILE A 71 0.744 1.830 -1.553 1.00 0.00 C ATOM 0 H ILE A 71 -3.848 2.925 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.028 4.839 -0.837 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.248 2.838 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.244 3.596 -0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.006 2.367 -0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.846 4.111 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.570 5.075 -3.717 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.207 5.364 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.211 1.361 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.240 1.070 -2.149 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.508 2.318 -2.158 1.00 0.00 H new ATOM 1062 N ASP A 72 -3.081 6.418 -2.442 1.00 0.00 N ATOM 1063 CA ASP A 72 -3.603 7.399 -3.386 1.00 0.00 C ATOM 1064 C ASP A 72 -2.467 8.159 -4.063 1.00 0.00 C ATOM 1065 O ASP A 72 -1.820 9.007 -3.448 1.00 0.00 O ATOM 1066 CB ASP A 72 -4.536 8.379 -2.673 1.00 0.00 C ATOM 1067 CG ASP A 72 -5.976 7.906 -2.665 1.00 0.00 C ATOM 1068 OD1 ASP A 72 -6.205 6.707 -2.402 1.00 0.00 O ATOM 1069 OD2 ASP A 72 -6.875 8.735 -2.922 1.00 0.00 O ATOM 0 H ASP A 72 -2.949 6.773 -1.495 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.166 6.866 -4.152 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.197 8.518 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.479 9.352 -3.162 1.00 0.00 H new ATOM 1074 N LYS A 73 -2.229 7.850 -5.333 1.00 0.00 N ATOM 1075 CA LYS A 73 -1.172 8.503 -6.095 1.00 0.00 C ATOM 1076 C LYS A 73 -1.504 9.972 -6.338 1.00 0.00 C ATOM 1077 O LYS A 73 -0.627 10.834 -6.281 1.00 0.00 O ATOM 1078 CB LYS A 73 -0.963 7.789 -7.433 1.00 0.00 C ATOM 1079 CG LYS A 73 -0.544 6.336 -7.288 1.00 0.00 C ATOM 1080 CD LYS A 73 0.187 5.840 -8.524 1.00 0.00 C ATOM 1081 CE LYS A 73 1.665 6.196 -8.478 1.00 0.00 C ATOM 1082 NZ LYS A 73 2.439 5.238 -7.641 1.00 0.00 N ATOM 0 H LYS A 73 -2.755 7.150 -5.857 1.00 0.00 H new ATOM 0 HA LYS A 73 -0.252 8.448 -5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.887 7.836 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.204 8.322 -8.005 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.100 6.228 -6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.425 5.718 -7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 73 0.074 4.759 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.266 6.275 -9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.069 6.203 -9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.784 7.204 -8.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.442 5.514 -7.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.070 5.250 -6.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.346 4.280 -8.035 1.00 0.00 H new ATOM 1096 N ALA A 74 -2.775 10.250 -6.607 1.00 0.00 N ATOM 1097 CA ALA A 74 -3.223 11.615 -6.854 1.00 0.00 C ATOM 1098 C ALA A 74 -2.511 12.601 -5.934 1.00 0.00 C ATOM 1099 O ALA A 74 -1.818 13.509 -6.396 1.00 0.00 O ATOM 1100 CB ALA A 74 -4.730 11.716 -6.675 1.00 0.00 C ATOM 0 H ALA A 74 -3.513 9.548 -6.659 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.973 11.873 -7.883 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.051 12.741 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.226 11.046 -7.378 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.995 11.433 -5.656 1.00 0.00 H new ATOM 1106 N THR A 75 -2.687 12.419 -4.629 1.00 0.00 N ATOM 1107 CA THR A 75 -2.063 13.293 -3.644 1.00 0.00 C ATOM 1108 C THR A 75 -0.869 12.614 -2.983 1.00 0.00 C ATOM 1109 O THR A 75 -0.006 13.275 -2.409 1.00 0.00 O ATOM 1110 CB THR A 75 -3.066 13.718 -2.555 1.00 0.00 C ATOM 1111 OG1 THR A 75 -2.474 14.703 -1.701 1.00 0.00 O ATOM 1112 CG2 THR A 75 -3.504 12.519 -1.726 1.00 0.00 C ATOM 0 H THR A 75 -3.257 11.673 -4.230 1.00 0.00 H new ATOM 0 HA THR A 75 -1.722 14.179 -4.179 1.00 0.00 H new ATOM 0 HB THR A 75 -3.943 14.142 -3.045 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.526 14.493 -1.567 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.212 12.843 -0.963 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.980 11.783 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.634 12.071 -1.246 1.00 0.00 H new ATOM 1120 N GLY A 76 -0.826 11.288 -3.069 1.00 0.00 N ATOM 1121 CA GLY A 76 0.267 10.541 -2.475 1.00 0.00 C ATOM 1122 C GLY A 76 0.037 10.246 -1.006 1.00 0.00 C ATOM 1123 O GLY A 76 0.984 10.174 -0.223 1.00 0.00 O ATOM 0 H GLY A 76 -1.529 10.718 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 76 0.397 9.603 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.193 11.105 -2.588 1.00 0.00 H new ATOM 1127 N LYS A 77 -1.226 10.076 -0.629 1.00 0.00 N ATOM 1128 CA LYS A 77 -1.579 9.788 0.756 1.00 0.00 C ATOM 1129 C LYS A 77 -1.927 8.313 0.933 1.00 0.00 C ATOM 1130 O LYS A 77 -2.282 7.630 -0.028 1.00 0.00 O ATOM 1131 CB LYS A 77 -2.760 10.657 1.194 1.00 0.00 C ATOM 1132 CG LYS A 77 -2.407 12.126 1.354 1.00 0.00 C ATOM 1133 CD LYS A 77 -1.754 12.400 2.699 1.00 0.00 C ATOM 1134 CE LYS A 77 -1.247 13.831 2.791 1.00 0.00 C ATOM 1135 NZ LYS A 77 -2.284 14.752 3.333 1.00 0.00 N ATOM 0 H LYS A 77 -2.022 10.133 -1.264 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.715 10.017 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.562 10.562 0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.147 10.280 2.141 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.733 12.428 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -3.309 12.730 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.472 12.215 3.498 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.925 11.709 2.850 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.363 13.863 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.939 14.172 1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.900 15.717 3.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.118 14.741 2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.559 14.442 4.287 1.00 0.00 H new ATOM 1149 N ILE A 78 -1.825 7.830 2.166 1.00 0.00 N ATOM 1150 CA ILE A 78 -2.132 6.437 2.469 1.00 0.00 C ATOM 1151 C ILE A 78 -3.182 6.332 3.569 1.00 0.00 C ATOM 1152 O ILE A 78 -3.143 7.072 4.552 1.00 0.00 O ATOM 1153 CB ILE A 78 -0.872 5.665 2.902 1.00 0.00 C ATOM 1154 CG1 ILE A 78 0.088 5.507 1.720 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -1.253 4.304 3.466 1.00 0.00 C ATOM 1156 CD1 ILE A 78 1.537 5.376 2.132 1.00 0.00 C ATOM 0 H ILE A 78 -1.532 8.382 2.972 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.523 5.994 1.553 1.00 0.00 H new ATOM 0 HB ILE A 78 -0.367 6.233 3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.199 4.627 1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.017 6.368 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.352 3.770 3.768 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.903 4.438 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.778 3.728 2.704 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.159 5.268 1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.841 6.267 2.682 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.657 4.499 2.768 1.00 0.00 H new ATOM 1168 N SER A 79 -4.120 5.406 3.397 1.00 0.00 N ATOM 1169 CA SER A 79 -5.183 5.204 4.375 1.00 0.00 C ATOM 1170 C SER A 79 -5.281 3.736 4.776 1.00 0.00 C ATOM 1171 O SER A 79 -4.909 2.845 4.012 1.00 0.00 O ATOM 1172 CB SER A 79 -6.523 5.680 3.808 1.00 0.00 C ATOM 1173 OG SER A 79 -7.391 6.107 4.843 1.00 0.00 O ATOM 0 H SER A 79 -4.166 4.784 2.590 1.00 0.00 H new ATOM 0 HA SER A 79 -4.943 5.789 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.355 6.499 3.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.992 4.872 3.246 1.00 0.00 H new ATOM 0 HG SER A 79 -8.239 6.408 4.455 1.00 0.00 H new ATOM 1179 N LYS A 80 -5.783 3.490 5.981 1.00 0.00 N ATOM 1180 CA LYS A 80 -5.932 2.131 6.487 1.00 0.00 C ATOM 1181 C LYS A 80 -7.377 1.659 6.362 1.00 0.00 C ATOM 1182 O LYS A 80 -8.313 2.423 6.604 1.00 0.00 O ATOM 1183 CB LYS A 80 -5.484 2.056 7.948 1.00 0.00 C ATOM 1184 CG LYS A 80 -4.995 0.680 8.365 1.00 0.00 C ATOM 1185 CD LYS A 80 -4.612 0.646 9.834 1.00 0.00 C ATOM 1186 CE LYS A 80 -5.836 0.519 10.727 1.00 0.00 C ATOM 1187 NZ LYS A 80 -5.598 1.095 12.080 1.00 0.00 N ATOM 0 H LYS A 80 -6.094 4.216 6.627 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.301 1.476 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.687 2.781 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.316 2.346 8.590 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -5.775 -0.057 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.135 0.399 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.939 -0.192 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.067 1.554 10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.680 1.026 10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.108 -0.532 10.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.456 0.989 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.809 0.595 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.363 2.104 11.991 1.00 0.00 H new ATOM 1201 N LEU A 81 -7.553 0.397 5.986 1.00 0.00 N ATOM 1202 CA LEU A 81 -8.885 -0.177 5.831 1.00 0.00 C ATOM 1203 C LEU A 81 -9.051 -1.411 6.711 1.00 0.00 C ATOM 1204 O LEU A 81 -8.104 -2.166 6.926 1.00 0.00 O ATOM 1205 CB LEU A 81 -9.137 -0.542 4.367 1.00 0.00 C ATOM 1206 CG LEU A 81 -8.404 0.306 3.328 1.00 0.00 C ATOM 1207 CD1 LEU A 81 -8.686 -0.208 1.924 1.00 0.00 C ATOM 1208 CD2 LEU A 81 -8.807 1.768 3.453 1.00 0.00 C ATOM 0 H LEU A 81 -6.790 -0.248 5.783 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.615 0.570 6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.855 -1.585 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.208 -0.471 4.175 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.333 0.228 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.156 0.408 1.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.348 -1.241 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.757 -0.160 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.275 2.357 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.881 1.864 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.553 2.131 4.449 1.00 0.00 H new ATOM 1220 N GLY A 82 -10.264 -1.612 7.217 1.00 0.00 N ATOM 1221 CA GLY A 82 -10.534 -2.758 8.066 1.00 0.00 C ATOM 1222 C GLY A 82 -9.959 -4.043 7.505 1.00 0.00 C ATOM 1223 O GLY A 82 -9.459 -4.069 6.380 1.00 0.00 O ATOM 0 H GLY A 82 -11.065 -1.002 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.116 -2.579 9.057 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.611 -2.869 8.190 1.00 0.00 H new ATOM 1227 N ARG A 83 -10.028 -5.113 8.291 1.00 0.00 N ATOM 1228 CA ARG A 83 -9.508 -6.407 7.867 1.00 0.00 C ATOM 1229 C ARG A 83 -10.185 -6.871 6.580 1.00 0.00 C ATOM 1230 O ARG A 83 -11.412 -6.924 6.498 1.00 0.00 O ATOM 1231 CB ARG A 83 -9.713 -7.449 8.968 1.00 0.00 C ATOM 1232 CG ARG A 83 -8.790 -8.651 8.849 1.00 0.00 C ATOM 1233 CD ARG A 83 -7.420 -8.362 9.441 1.00 0.00 C ATOM 1234 NE ARG A 83 -6.706 -9.587 9.792 1.00 0.00 N ATOM 1235 CZ ARG A 83 -6.140 -10.390 8.897 1.00 0.00 C ATOM 1236 NH1 ARG A 83 -6.205 -10.099 7.605 1.00 0.00 N ATOM 1237 NH2 ARG A 83 -5.508 -11.487 9.294 1.00 0.00 N ATOM 0 H ARG A 83 -10.439 -5.109 9.225 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.441 -6.296 7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.557 -6.976 9.938 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.747 -7.792 8.944 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -9.235 -9.505 9.359 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.683 -8.927 7.800 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.829 -7.790 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.533 -7.741 10.330 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.638 -9.840 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.690 -9.257 7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.770 -10.717 6.920 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.456 -11.715 10.287 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.074 -12.103 8.606 1.00 0.00 H new ATOM 1251 N SER A 84 -9.377 -7.205 5.579 1.00 0.00 N ATOM 1252 CA SER A 84 -9.899 -7.659 4.295 1.00 0.00 C ATOM 1253 C SER A 84 -9.171 -8.917 3.828 1.00 0.00 C ATOM 1254 O SER A 84 -8.211 -8.843 3.062 1.00 0.00 O ATOM 1255 CB SER A 84 -9.760 -6.556 3.245 1.00 0.00 C ATOM 1256 OG SER A 84 -10.168 -7.014 1.967 1.00 0.00 O ATOM 0 H SER A 84 -8.359 -7.170 5.632 1.00 0.00 H new ATOM 0 HA SER A 84 -10.955 -7.897 4.423 1.00 0.00 H new ATOM 0 HB2 SER A 84 -10.362 -5.695 3.536 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.724 -6.220 3.201 1.00 0.00 H new ATOM 0 HG SER A 84 -10.071 -6.290 1.314 1.00 0.00 H new ATOM 1262 N PHE A 85 -9.637 -10.070 4.296 1.00 0.00 N ATOM 1263 CA PHE A 85 -9.031 -11.344 3.928 1.00 0.00 C ATOM 1264 C PHE A 85 -8.844 -11.442 2.417 1.00 0.00 C ATOM 1265 O PHE A 85 -9.657 -10.931 1.645 1.00 0.00 O ATOM 1266 CB PHE A 85 -9.896 -12.506 4.423 1.00 0.00 C ATOM 1267 CG PHE A 85 -11.270 -12.530 3.816 1.00 0.00 C ATOM 1268 CD1 PHE A 85 -11.491 -13.144 2.594 1.00 0.00 C ATOM 1269 CD2 PHE A 85 -12.340 -11.940 4.469 1.00 0.00 C ATOM 1270 CE1 PHE A 85 -12.754 -13.169 2.033 1.00 0.00 C ATOM 1271 CE2 PHE A 85 -13.605 -11.962 3.913 1.00 0.00 C ATOM 1272 CZ PHE A 85 -13.813 -12.576 2.694 1.00 0.00 C ATOM 0 H PHE A 85 -10.432 -10.148 4.930 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.051 -11.402 4.402 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.392 -13.446 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.987 -12.445 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.667 -13.609 2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -12.184 -11.458 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.913 -13.651 1.080 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.431 -11.499 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.801 -12.593 2.258 1.00 0.00 H new ATOM 1282 N THR A 86 -7.767 -12.101 2.001 1.00 0.00 N ATOM 1283 CA THR A 86 -7.472 -12.264 0.583 1.00 0.00 C ATOM 1284 C THR A 86 -8.321 -13.371 -0.032 1.00 0.00 C ATOM 1285 O THR A 86 -9.032 -14.086 0.675 1.00 0.00 O ATOM 1286 CB THR A 86 -5.983 -12.588 0.353 1.00 0.00 C ATOM 1287 OG1 THR A 86 -5.576 -13.657 1.214 1.00 0.00 O ATOM 1288 CG2 THR A 86 -5.118 -11.364 0.611 1.00 0.00 C ATOM 0 H THR A 86 -7.085 -12.530 2.626 1.00 0.00 H new ATOM 0 HA THR A 86 -7.710 -11.316 0.100 1.00 0.00 H new ATOM 0 HB THR A 86 -5.855 -12.891 -0.686 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.629 -13.858 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.071 -11.616 0.443 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.411 -10.562 -0.066 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.251 -11.035 1.642 1.00 0.00 H new ATOM 1296 N ARG A 87 -8.242 -13.507 -1.351 1.00 0.00 N ATOM 1297 CA ARG A 87 -9.005 -14.527 -2.061 1.00 0.00 C ATOM 1298 C ARG A 87 -8.245 -15.849 -2.095 1.00 0.00 C ATOM 1299 O ARG A 87 -7.276 -16.000 -2.838 1.00 0.00 O ATOM 1300 CB ARG A 87 -9.311 -14.065 -3.487 1.00 0.00 C ATOM 1301 CG ARG A 87 -10.597 -14.644 -4.052 1.00 0.00 C ATOM 1302 CD ARG A 87 -11.821 -14.040 -3.383 1.00 0.00 C ATOM 1303 NE ARG A 87 -12.240 -12.797 -4.027 1.00 0.00 N ATOM 1304 CZ ARG A 87 -13.355 -12.147 -3.714 1.00 0.00 C ATOM 1305 NH1 ARG A 87 -14.159 -12.619 -2.771 1.00 0.00 N ATOM 1306 NH2 ARG A 87 -13.667 -11.022 -4.345 1.00 0.00 N ATOM 0 H ARG A 87 -7.658 -12.924 -1.950 1.00 0.00 H new ATOM 0 HA ARG A 87 -9.943 -14.681 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.375 -12.977 -3.501 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -8.481 -14.344 -4.136 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.640 -14.459 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.602 -15.725 -3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -12.641 -14.758 -3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -11.602 -13.848 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.643 -12.407 -4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.922 -13.483 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -15.015 -12.118 -2.533 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -13.050 -10.656 -5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -14.523 -10.523 -4.104 1.00 0.00 H new ATOM 1320 N ALA A 88 -8.691 -16.803 -1.284 1.00 0.00 N ATOM 1321 CA ALA A 88 -8.053 -18.113 -1.223 1.00 0.00 C ATOM 1322 C ALA A 88 -8.551 -19.019 -2.344 1.00 0.00 C ATOM 1323 O ALA A 88 -9.623 -19.615 -2.244 1.00 0.00 O ATOM 1324 CB ALA A 88 -8.306 -18.759 0.131 1.00 0.00 C ATOM 0 H ALA A 88 -9.491 -16.694 -0.661 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.980 -17.974 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.824 -19.736 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.896 -18.126 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.379 -18.878 0.283 1.00 0.00 H new ATOM 1330 N ARG A 89 -7.765 -19.116 -3.412 1.00 0.00 N ATOM 1331 CA ARG A 89 -8.127 -19.948 -4.553 1.00 0.00 C ATOM 1332 C ARG A 89 -7.119 -21.078 -4.743 1.00 0.00 C ATOM 1333 O ARG A 89 -6.105 -21.142 -4.049 1.00 0.00 O ATOM 1334 CB ARG A 89 -8.205 -19.101 -5.824 1.00 0.00 C ATOM 1335 CG ARG A 89 -9.455 -18.240 -5.907 1.00 0.00 C ATOM 1336 CD ARG A 89 -10.691 -19.079 -6.194 1.00 0.00 C ATOM 1337 NE ARG A 89 -11.924 -18.365 -5.874 1.00 0.00 N ATOM 1338 CZ ARG A 89 -13.135 -18.813 -6.185 1.00 0.00 C ATOM 1339 NH1 ARG A 89 -13.274 -19.968 -6.821 1.00 0.00 N ATOM 1340 NH2 ARG A 89 -14.209 -18.105 -5.860 1.00 0.00 N ATOM 0 H ARG A 89 -6.874 -18.629 -3.510 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.105 -20.386 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.327 -18.457 -5.876 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.169 -19.759 -6.692 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.590 -17.701 -4.969 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.332 -17.492 -6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -10.700 -19.363 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.646 -20.001 -5.615 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.851 -17.473 -5.385 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.450 -20.514 -7.072 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -14.205 -20.310 -7.059 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.105 -17.216 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.139 -18.450 -6.099 1.00 0.00 H new ATOM 1354 N SER A 90 -7.407 -21.968 -5.688 1.00 0.00 N ATOM 1355 CA SER A 90 -6.528 -23.098 -5.967 1.00 0.00 C ATOM 1356 C SER A 90 -5.648 -22.815 -7.180 1.00 0.00 C ATOM 1357 O SER A 90 -6.114 -22.295 -8.193 1.00 0.00 O ATOM 1358 CB SER A 90 -7.352 -24.365 -6.205 1.00 0.00 C ATOM 1359 OG SER A 90 -7.958 -24.346 -7.487 1.00 0.00 O ATOM 0 H SER A 90 -8.242 -21.928 -6.273 1.00 0.00 H new ATOM 0 HA SER A 90 -5.884 -23.249 -5.100 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.711 -25.242 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.121 -24.452 -5.437 1.00 0.00 H new ATOM 0 HG SER A 90 -8.477 -25.167 -7.616 1.00 0.00 H new ATOM 1365 N GLY A 91 -4.369 -23.161 -7.069 1.00 0.00 N ATOM 1366 CA GLY A 91 -3.441 -22.937 -8.163 1.00 0.00 C ATOM 1367 C GLY A 91 -2.116 -23.642 -7.953 1.00 0.00 C ATOM 1368 O GLY A 91 -1.958 -24.820 -8.273 1.00 0.00 O ATOM 0 H GLY A 91 -3.959 -23.593 -6.241 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.890 -23.284 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.266 -21.867 -8.274 1.00 0.00 H new ATOM 1372 N PRO A 92 -1.133 -22.912 -7.404 1.00 0.00 N ATOM 1373 CA PRO A 92 0.203 -23.454 -7.141 1.00 0.00 C ATOM 1374 C PRO A 92 0.201 -24.479 -6.012 1.00 0.00 C ATOM 1375 O PRO A 92 1.010 -25.406 -6.001 1.00 0.00 O ATOM 1376 CB PRO A 92 1.014 -22.219 -6.740 1.00 0.00 C ATOM 1377 CG PRO A 92 0.006 -21.259 -6.210 1.00 0.00 C ATOM 1378 CD PRO A 92 -1.252 -21.501 -6.998 1.00 0.00 C ATOM 0 HA PRO A 92 0.605 -23.983 -8.005 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.762 -22.464 -5.986 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.548 -21.801 -7.594 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.164 -21.420 -5.145 1.00 0.00 H new ATOM 0 HG3 PRO A 92 0.348 -20.231 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -2.143 -21.330 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.319 -20.839 -7.861 1.00 0.00 H new ATOM 1386 N SER A 93 -0.714 -24.305 -5.063 1.00 0.00 N ATOM 1387 CA SER A 93 -0.819 -25.214 -3.927 1.00 0.00 C ATOM 1388 C SER A 93 -2.030 -26.129 -4.074 1.00 0.00 C ATOM 1389 O SER A 93 -3.093 -25.703 -4.525 1.00 0.00 O ATOM 1390 CB SER A 93 -0.919 -24.423 -2.622 1.00 0.00 C ATOM 1391 OG SER A 93 0.215 -23.592 -2.441 1.00 0.00 O ATOM 0 H SER A 93 -1.393 -23.544 -5.058 1.00 0.00 H new ATOM 0 HA SER A 93 0.080 -25.831 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.823 -23.814 -2.631 1.00 0.00 H new ATOM 0 HB3 SER A 93 -1.007 -25.112 -1.782 1.00 0.00 H new ATOM 0 HG SER A 93 0.126 -23.096 -1.601 1.00 0.00 H new ATOM 1397 N SER A 94 -1.861 -27.391 -3.691 1.00 0.00 N ATOM 1398 CA SER A 94 -2.938 -28.369 -3.783 1.00 0.00 C ATOM 1399 C SER A 94 -4.131 -27.946 -2.931 1.00 0.00 C ATOM 1400 O SER A 94 -5.274 -27.976 -3.385 1.00 0.00 O ATOM 1401 CB SER A 94 -2.444 -29.747 -3.339 1.00 0.00 C ATOM 1402 OG SER A 94 -1.891 -30.466 -4.429 1.00 0.00 O ATOM 0 H SER A 94 -0.988 -27.760 -3.314 1.00 0.00 H new ATOM 0 HA SER A 94 -3.257 -28.423 -4.824 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.694 -29.633 -2.556 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.271 -30.312 -2.908 1.00 0.00 H new ATOM 0 HG SER A 94 -1.581 -31.343 -4.119 1.00 0.00 H new ATOM 1408 N GLY A 95 -3.854 -27.551 -1.692 1.00 0.00 N ATOM 1409 CA GLY A 95 -4.914 -27.127 -0.795 1.00 0.00 C ATOM 1410 C GLY A 95 -5.849 -28.261 -0.425 1.00 0.00 C ATOM 1411 O GLY A 95 -5.491 -29.138 0.361 1.00 0.00 O ATOM 0 H GLY A 95 -2.916 -27.517 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.474 -26.712 0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.486 -26.328 -1.266 1.00 0.00 H new TER 1415 GLY A 95