USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 746 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 16 THR OG1 : rot 180:sc= 0.417 USER MOD Set 1.2: A 60 LYS NZ :NH3+ 166:sc= 0.258 (180deg=-0.133) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.153 (180deg=-0.553) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -60:sc= 0.858 USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.681 (180deg=-1.23) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -160:sc= -0.518 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0975 USER MOD Single : A 42 SER OG : rot 180:sc= -0.076 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0766) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.425 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0847 K(o=-0.085,f=-1.4!) USER MOD Single : A 56 SER OG : rot 0:sc= 0.439 USER MOD Single : A 57 LYS NZ :NH3+ 133:sc= -1.37! (180deg=-3.24!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0374 USER MOD Single : A 75 TYR OH : rot 146:sc= 0.0585 USER MOD Single : A 82 THR OG1 : rot 84:sc= 0.244 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -60:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.978 5.119 -9.048 1.00 0.00 N ATOM 2 CA MET A 1 -25.781 4.349 -8.057 1.00 0.00 C ATOM 3 C MET A 1 -24.860 3.826 -6.950 1.00 0.00 C ATOM 4 O MET A 1 -24.876 4.314 -5.837 1.00 0.00 O ATOM 5 CB MET A 1 -26.466 3.170 -8.760 1.00 0.00 C ATOM 6 CG MET A 1 -27.289 2.371 -7.747 1.00 0.00 C ATOM 7 SD MET A 1 -28.136 1.013 -8.592 1.00 0.00 S ATOM 8 CE MET A 1 -28.967 0.323 -7.139 1.00 0.00 C ATOM 0 H1 MET A 1 -25.603 5.474 -9.800 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.517 5.921 -8.573 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.253 4.500 -9.464 1.00 0.00 H new ATOM 0 HA MET A 1 -26.539 4.998 -7.619 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.111 3.536 -9.559 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.718 2.527 -9.223 1.00 0.00 H new ATOM 0 HG2 MET A 1 -26.640 1.978 -6.965 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.017 3.021 -7.261 1.00 0.00 H new ATOM 0 HE1 MET A 1 -29.559 -0.543 -7.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.222 0.019 -6.404 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.621 1.077 -6.702 1.00 0.00 H new ATOM 17 N GLU A 2 -24.060 2.836 -7.251 1.00 0.00 N ATOM 18 CA GLU A 2 -23.137 2.273 -6.224 1.00 0.00 C ATOM 19 C GLU A 2 -21.995 1.531 -6.923 1.00 0.00 C ATOM 20 O GLU A 2 -20.889 1.463 -6.423 1.00 0.00 O ATOM 21 CB GLU A 2 -23.906 1.298 -5.325 1.00 0.00 C ATOM 22 CG GLU A 2 -23.114 1.048 -4.039 1.00 0.00 C ATOM 23 CD GLU A 2 -23.895 0.090 -3.134 1.00 0.00 C ATOM 24 OE1 GLU A 2 -23.728 -1.109 -3.289 1.00 0.00 O ATOM 25 OE2 GLU A 2 -24.648 0.572 -2.303 1.00 0.00 O ATOM 0 H GLU A 2 -24.007 2.392 -8.168 1.00 0.00 H new ATOM 0 HA GLU A 2 -22.730 3.081 -5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.888 1.706 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -24.072 0.357 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -22.138 0.625 -4.277 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -22.935 1.990 -3.521 1.00 0.00 H new ATOM 32 N LYS A 3 -22.258 0.978 -8.079 1.00 0.00 N ATOM 33 CA LYS A 3 -21.195 0.241 -8.822 1.00 0.00 C ATOM 34 C LYS A 3 -20.440 1.214 -9.732 1.00 0.00 C ATOM 35 O LYS A 3 -19.732 0.808 -10.635 1.00 0.00 O ATOM 36 CB LYS A 3 -21.841 -0.861 -9.671 1.00 0.00 C ATOM 37 CG LYS A 3 -22.582 -1.847 -8.760 1.00 0.00 C ATOM 38 CD LYS A 3 -21.616 -2.938 -8.290 1.00 0.00 C ATOM 39 CE LYS A 3 -22.332 -3.868 -7.307 1.00 0.00 C ATOM 40 NZ LYS A 3 -21.432 -5.002 -6.951 1.00 0.00 N ATOM 0 H LYS A 3 -23.167 1.006 -8.541 1.00 0.00 H new ATOM 0 HA LYS A 3 -20.497 -0.207 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -22.535 -0.422 -10.388 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -21.078 -1.385 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -22.998 -1.321 -7.901 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -23.419 -2.295 -9.296 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -21.251 -3.507 -9.145 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.746 -2.487 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.614 -3.318 -6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.252 -4.246 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -21.918 -5.634 -6.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.184 -5.531 -7.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -20.566 -4.632 -6.510 1.00 0.00 H new ATOM 54 N GLY A 4 -20.597 2.496 -9.505 1.00 0.00 N ATOM 55 CA GLY A 4 -19.903 3.516 -10.350 1.00 0.00 C ATOM 56 C GLY A 4 -18.430 3.140 -10.543 1.00 0.00 C ATOM 57 O GLY A 4 -17.826 3.473 -11.543 1.00 0.00 O ATOM 0 H GLY A 4 -21.182 2.882 -8.764 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.396 3.590 -11.319 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.976 4.497 -9.880 1.00 0.00 H new ATOM 61 N GLY A 5 -17.851 2.443 -9.599 1.00 0.00 N ATOM 62 CA GLY A 5 -16.420 2.044 -9.739 1.00 0.00 C ATOM 63 C GLY A 5 -15.781 1.886 -8.358 1.00 0.00 C ATOM 64 O GLY A 5 -16.405 2.117 -7.340 1.00 0.00 O ATOM 0 H GLY A 5 -18.306 2.134 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -16.348 1.107 -10.291 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.879 2.795 -10.315 1.00 0.00 H new ATOM 68 N GLU A 6 -14.536 1.492 -8.325 1.00 0.00 N ATOM 69 CA GLU A 6 -13.834 1.312 -7.021 1.00 0.00 C ATOM 70 C GLU A 6 -12.322 1.294 -7.258 1.00 0.00 C ATOM 71 O GLU A 6 -11.591 2.095 -6.709 1.00 0.00 O ATOM 72 CB GLU A 6 -14.264 -0.016 -6.384 1.00 0.00 C ATOM 73 CG GLU A 6 -14.250 0.109 -4.856 1.00 0.00 C ATOM 74 CD GLU A 6 -12.895 0.654 -4.393 1.00 0.00 C ATOM 75 OE1 GLU A 6 -11.911 -0.058 -4.525 1.00 0.00 O ATOM 76 OE2 GLU A 6 -12.863 1.777 -3.916 1.00 0.00 O ATOM 0 H GLU A 6 -13.972 1.286 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.092 2.135 -6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.263 -0.287 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.592 -0.815 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.050 0.773 -4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.436 -0.864 -4.401 1.00 0.00 H new ATOM 83 N ALA A 7 -11.853 0.367 -8.058 1.00 0.00 N ATOM 84 CA ALA A 7 -10.391 0.258 -8.332 1.00 0.00 C ATOM 85 C ALA A 7 -9.700 -0.306 -7.083 1.00 0.00 C ATOM 86 O ALA A 7 -9.900 -1.452 -6.733 1.00 0.00 O ATOM 87 CB ALA A 7 -9.819 1.635 -8.704 1.00 0.00 C ATOM 0 H ALA A 7 -12.430 -0.325 -8.537 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.215 -0.412 -9.173 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.751 1.544 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.323 2.010 -9.595 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.977 2.330 -7.879 1.00 0.00 H new ATOM 93 N LEU A 8 -8.914 0.482 -6.397 1.00 0.00 N ATOM 94 CA LEU A 8 -8.232 -0.004 -5.160 1.00 0.00 C ATOM 95 C LEU A 8 -8.446 1.038 -4.055 1.00 0.00 C ATOM 96 O LEU A 8 -7.679 1.140 -3.117 1.00 0.00 O ATOM 97 CB LEU A 8 -6.723 -0.175 -5.421 1.00 0.00 C ATOM 98 CG LEU A 8 -6.177 0.931 -6.349 1.00 0.00 C ATOM 99 CD1 LEU A 8 -6.628 0.692 -7.794 1.00 0.00 C ATOM 100 CD2 LEU A 8 -6.659 2.315 -5.889 1.00 0.00 C ATOM 0 H LEU A 8 -8.713 1.451 -6.643 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.645 -0.967 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.185 -0.154 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.539 -1.151 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.089 0.899 -6.301 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.234 1.482 -8.434 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.255 -0.273 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.717 0.697 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.262 3.079 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.748 2.346 -5.909 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.309 2.503 -4.874 1.00 0.00 H new ATOM 112 N LYS A 9 -9.490 1.820 -4.178 1.00 0.00 N ATOM 113 CA LYS A 9 -9.779 2.877 -3.165 1.00 0.00 C ATOM 114 C LYS A 9 -10.630 2.293 -2.035 1.00 0.00 C ATOM 115 O LYS A 9 -10.963 1.123 -2.036 1.00 0.00 O ATOM 116 CB LYS A 9 -10.534 4.028 -3.836 1.00 0.00 C ATOM 117 CG LYS A 9 -9.554 4.877 -4.653 1.00 0.00 C ATOM 118 CD LYS A 9 -10.214 5.321 -5.963 1.00 0.00 C ATOM 119 CE LYS A 9 -11.127 6.522 -5.699 1.00 0.00 C ATOM 120 NZ LYS A 9 -10.297 7.719 -5.383 1.00 0.00 N ATOM 0 H LYS A 9 -10.160 1.769 -4.946 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.842 3.248 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.317 3.634 -4.484 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.024 4.644 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.247 5.750 -4.076 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.652 4.303 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.451 5.586 -6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.791 4.499 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.749 6.718 -6.572 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.801 6.305 -4.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -10.869 8.579 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.963 7.660 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.480 7.754 -6.025 1.00 0.00 H new ATOM 134 N GLY A 10 -10.978 3.101 -1.067 1.00 0.00 N ATOM 135 CA GLY A 10 -11.804 2.600 0.071 1.00 0.00 C ATOM 136 C GLY A 10 -10.907 1.843 1.049 1.00 0.00 C ATOM 137 O GLY A 10 -11.324 1.472 2.130 1.00 0.00 O ATOM 0 H GLY A 10 -10.725 4.088 -1.016 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -12.291 3.434 0.577 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -12.594 1.945 -0.298 1.00 0.00 H new ATOM 141 N LEU A 11 -9.677 1.614 0.673 1.00 0.00 N ATOM 142 CA LEU A 11 -8.735 0.882 1.565 1.00 0.00 C ATOM 143 C LEU A 11 -7.642 1.835 2.041 1.00 0.00 C ATOM 144 O LEU A 11 -7.269 2.770 1.353 1.00 0.00 O ATOM 145 CB LEU A 11 -8.100 -0.281 0.792 1.00 0.00 C ATOM 146 CG LEU A 11 -9.193 -1.241 0.307 1.00 0.00 C ATOM 147 CD1 LEU A 11 -8.603 -2.211 -0.721 1.00 0.00 C ATOM 148 CD2 LEU A 11 -9.748 -2.033 1.496 1.00 0.00 C ATOM 0 H LEU A 11 -9.283 1.906 -0.221 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.277 0.492 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.535 0.101 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.394 -0.812 1.431 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.998 -0.668 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.380 -2.893 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.212 -1.649 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.797 -2.782 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.525 -2.714 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.944 -2.605 1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.171 -1.344 2.227 1.00 0.00 H new ATOM 160 N THR A 12 -7.129 1.598 3.216 1.00 0.00 N ATOM 161 CA THR A 12 -6.059 2.470 3.762 1.00 0.00 C ATOM 162 C THR A 12 -4.735 1.705 3.730 1.00 0.00 C ATOM 163 O THR A 12 -4.677 0.532 4.049 1.00 0.00 O ATOM 164 CB THR A 12 -6.410 2.852 5.202 1.00 0.00 C ATOM 165 OG1 THR A 12 -7.499 3.763 5.192 1.00 0.00 O ATOM 166 CG2 THR A 12 -5.202 3.507 5.879 1.00 0.00 C ATOM 0 H THR A 12 -7.410 0.829 3.825 1.00 0.00 H new ATOM 0 HA THR A 12 -5.968 3.377 3.164 1.00 0.00 H new ATOM 0 HB THR A 12 -6.685 1.954 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.728 4.009 6.113 1.00 0.00 H new ATOM 0 HG21 THR A 12 -5.460 3.776 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.366 2.808 5.887 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.919 4.404 5.329 1.00 0.00 H new ATOM 174 N PHE A 13 -3.678 2.360 3.343 1.00 0.00 N ATOM 175 CA PHE A 13 -2.351 1.686 3.278 1.00 0.00 C ATOM 176 C PHE A 13 -1.389 2.399 4.232 1.00 0.00 C ATOM 177 O PHE A 13 -1.205 3.598 4.157 1.00 0.00 O ATOM 178 CB PHE A 13 -1.833 1.753 1.841 1.00 0.00 C ATOM 179 CG PHE A 13 -2.599 0.766 0.983 1.00 0.00 C ATOM 180 CD1 PHE A 13 -2.508 -0.609 1.240 1.00 0.00 C ATOM 181 CD2 PHE A 13 -3.403 1.224 -0.071 1.00 0.00 C ATOM 182 CE1 PHE A 13 -3.215 -1.522 0.447 1.00 0.00 C ATOM 183 CE2 PHE A 13 -4.111 0.311 -0.863 1.00 0.00 C ATOM 184 CZ PHE A 13 -4.017 -1.061 -0.605 1.00 0.00 C ATOM 0 H PHE A 13 -3.676 3.342 3.066 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.434 0.640 3.575 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.951 2.762 1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.768 1.524 1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.891 -0.965 2.052 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.476 2.283 -0.272 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.142 -2.581 0.647 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.730 0.666 -1.674 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.563 -1.764 -1.217 1.00 0.00 H new ATOM 194 N VAL A 14 -0.797 1.673 5.147 1.00 0.00 N ATOM 195 CA VAL A 14 0.128 2.314 6.133 1.00 0.00 C ATOM 196 C VAL A 14 1.537 1.729 6.023 1.00 0.00 C ATOM 197 O VAL A 14 1.725 0.569 5.709 1.00 0.00 O ATOM 198 CB VAL A 14 -0.398 2.068 7.552 1.00 0.00 C ATOM 199 CG1 VAL A 14 0.330 2.970 8.548 1.00 0.00 C ATOM 200 CG2 VAL A 14 -1.900 2.366 7.606 1.00 0.00 C ATOM 0 H VAL A 14 -0.914 0.665 5.254 1.00 0.00 H new ATOM 0 HA VAL A 14 0.172 3.382 5.919 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.221 1.025 7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.052 2.786 9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.398 2.754 8.521 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.164 4.014 8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.270 2.190 8.616 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.075 3.406 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.426 1.714 6.908 1.00 0.00 H new ATOM 210 N ILE A 15 2.521 2.531 6.327 1.00 0.00 N ATOM 211 CA ILE A 15 3.938 2.068 6.303 1.00 0.00 C ATOM 212 C ILE A 15 4.392 1.967 7.761 1.00 0.00 C ATOM 213 O ILE A 15 4.313 2.935 8.493 1.00 0.00 O ATOM 214 CB ILE A 15 4.814 3.100 5.573 1.00 0.00 C ATOM 215 CG1 ILE A 15 3.991 3.863 4.516 1.00 0.00 C ATOM 216 CG2 ILE A 15 5.992 2.393 4.901 1.00 0.00 C ATOM 217 CD1 ILE A 15 3.701 2.969 3.304 1.00 0.00 C ATOM 0 H ILE A 15 2.400 3.507 6.596 1.00 0.00 H new ATOM 0 HA ILE A 15 4.026 1.112 5.787 1.00 0.00 H new ATOM 0 HB ILE A 15 5.188 3.817 6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.053 4.204 4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.535 4.752 4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.611 3.127 4.385 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.589 1.883 5.657 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.617 1.665 4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.119 3.528 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.641 2.650 2.854 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.136 2.094 3.624 1.00 0.00 H new ATOM 229 N THR A 16 4.831 0.820 8.224 1.00 0.00 N ATOM 230 CA THR A 16 5.232 0.707 9.655 1.00 0.00 C ATOM 231 C THR A 16 6.494 1.515 9.917 1.00 0.00 C ATOM 232 O THR A 16 7.580 1.089 9.575 1.00 0.00 O ATOM 233 CB THR A 16 5.518 -0.762 9.960 1.00 0.00 C ATOM 234 OG1 THR A 16 4.295 -1.449 10.183 1.00 0.00 O ATOM 235 CG2 THR A 16 6.405 -0.868 11.199 1.00 0.00 C ATOM 0 H THR A 16 4.927 -0.034 7.675 1.00 0.00 H new ATOM 0 HA THR A 16 4.429 1.088 10.286 1.00 0.00 H new ATOM 0 HB THR A 16 6.034 -1.213 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.480 -2.392 10.377 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.607 -1.918 11.413 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.345 -0.347 11.019 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.897 -0.415 12.050 1.00 0.00 H new ATOM 243 N GLY A 17 6.363 2.667 10.530 1.00 0.00 N ATOM 244 CA GLY A 17 7.566 3.503 10.819 1.00 0.00 C ATOM 245 C GLY A 17 8.541 3.376 9.653 1.00 0.00 C ATOM 246 O GLY A 17 9.739 3.427 9.828 1.00 0.00 O ATOM 0 H GLY A 17 5.476 3.062 10.841 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.278 4.545 10.959 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.040 3.177 11.745 1.00 0.00 H new ATOM 250 N GLU A 18 8.006 3.195 8.467 1.00 0.00 N ATOM 251 CA GLU A 18 8.832 3.045 7.235 1.00 0.00 C ATOM 252 C GLU A 18 9.335 1.608 7.096 1.00 0.00 C ATOM 253 O GLU A 18 10.137 1.137 7.881 1.00 0.00 O ATOM 254 CB GLU A 18 10.020 4.020 7.231 1.00 0.00 C ATOM 255 CG GLU A 18 9.507 5.461 7.343 1.00 0.00 C ATOM 256 CD GLU A 18 10.272 6.357 6.364 1.00 0.00 C ATOM 257 OE1 GLU A 18 11.420 6.662 6.643 1.00 0.00 O ATOM 258 OE2 GLU A 18 9.699 6.723 5.350 1.00 0.00 O ATOM 0 H GLU A 18 7.001 3.144 8.303 1.00 0.00 H new ATOM 0 HA GLU A 18 8.195 3.283 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.689 3.796 8.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.598 3.900 6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.440 5.496 7.125 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.636 5.825 8.362 1.00 0.00 H new ATOM 265 N LEU A 19 8.876 0.917 6.080 1.00 0.00 N ATOM 266 CA LEU A 19 9.328 -0.482 5.852 1.00 0.00 C ATOM 267 C LEU A 19 10.772 -0.437 5.319 1.00 0.00 C ATOM 268 O LEU A 19 11.416 0.595 5.355 1.00 0.00 O ATOM 269 CB LEU A 19 8.427 -1.149 4.800 1.00 0.00 C ATOM 270 CG LEU A 19 7.213 -1.796 5.473 1.00 0.00 C ATOM 271 CD1 LEU A 19 6.238 -0.713 5.934 1.00 0.00 C ATOM 272 CD2 LEU A 19 6.512 -2.712 4.464 1.00 0.00 C ATOM 0 H LEU A 19 8.204 1.269 5.398 1.00 0.00 H new ATOM 0 HA LEU A 19 9.277 -1.049 6.781 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.096 -0.408 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.993 -1.903 4.252 1.00 0.00 H new ATOM 0 HG LEU A 19 7.541 -2.374 6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.376 -1.179 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.736 -0.054 6.646 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.906 -0.132 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.646 -3.177 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.186 -2.125 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.204 -3.486 4.133 1.00 0.00 H new ATOM 284 N SER A 20 11.275 -1.527 4.796 1.00 0.00 N ATOM 285 CA SER A 20 12.666 -1.521 4.232 1.00 0.00 C ATOM 286 C SER A 20 12.574 -1.339 2.710 1.00 0.00 C ATOM 287 O SER A 20 13.106 -2.117 1.940 1.00 0.00 O ATOM 288 CB SER A 20 13.367 -2.843 4.561 1.00 0.00 C ATOM 289 OG SER A 20 14.604 -2.910 3.862 1.00 0.00 O ATOM 0 H SER A 20 10.787 -2.420 4.734 1.00 0.00 H new ATOM 0 HA SER A 20 13.243 -0.705 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.539 -2.918 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.732 -3.683 4.280 1.00 0.00 H new ATOM 0 HG SER A 20 14.437 -2.865 2.897 1.00 0.00 H new ATOM 295 N ARG A 21 11.881 -0.319 2.279 1.00 0.00 N ATOM 296 CA ARG A 21 11.714 -0.069 0.813 1.00 0.00 C ATOM 297 C ARG A 21 11.503 1.431 0.571 1.00 0.00 C ATOM 298 O ARG A 21 11.289 2.178 1.501 1.00 0.00 O ATOM 299 CB ARG A 21 10.485 -0.847 0.318 1.00 0.00 C ATOM 300 CG ARG A 21 9.398 -0.855 1.403 1.00 0.00 C ATOM 301 CD ARG A 21 8.050 -0.469 0.790 1.00 0.00 C ATOM 302 NE ARG A 21 7.813 -1.273 -0.445 1.00 0.00 N ATOM 303 CZ ARG A 21 7.403 -0.691 -1.539 1.00 0.00 C ATOM 304 NH1 ARG A 21 6.564 0.306 -1.474 1.00 0.00 N ATOM 305 NH2 ARG A 21 7.830 -1.108 -2.699 1.00 0.00 N ATOM 0 H ARG A 21 11.418 0.359 2.884 1.00 0.00 H new ATOM 0 HA ARG A 21 12.603 -0.397 0.275 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.098 -0.391 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 21 10.768 -1.869 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.332 -1.844 1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.660 -0.157 2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.249 -0.643 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.039 0.595 0.551 1.00 0.00 H new ATOM 0 HE ARG A 21 7.972 -2.280 -0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.228 0.631 -0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.244 0.760 -2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.484 -1.889 -2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.510 -0.653 -3.554 1.00 0.00 H new ATOM 319 N PRO A 22 11.551 1.871 -0.670 1.00 0.00 N ATOM 320 CA PRO A 22 11.342 3.313 -1.023 1.00 0.00 C ATOM 321 C PRO A 22 9.893 3.759 -0.767 1.00 0.00 C ATOM 322 O PRO A 22 9.308 4.495 -1.539 1.00 0.00 O ATOM 323 CB PRO A 22 11.687 3.378 -2.514 1.00 0.00 C ATOM 324 CG PRO A 22 11.466 1.996 -3.026 1.00 0.00 C ATOM 325 CD PRO A 22 11.815 1.056 -1.872 1.00 0.00 C ATOM 0 HA PRO A 22 11.955 3.980 -0.417 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.054 4.097 -3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.719 3.694 -2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.432 1.858 -3.342 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.094 1.797 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.201 0.155 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 22 12.855 0.734 -1.918 1.00 0.00 H new ATOM 333 N ARG A 23 9.318 3.278 0.307 1.00 0.00 N ATOM 334 CA ARG A 23 7.902 3.604 0.670 1.00 0.00 C ATOM 335 C ARG A 23 7.590 5.099 0.506 1.00 0.00 C ATOM 336 O ARG A 23 6.443 5.494 0.540 1.00 0.00 O ATOM 337 CB ARG A 23 7.677 3.215 2.130 1.00 0.00 C ATOM 338 CG ARG A 23 8.275 4.293 3.045 1.00 0.00 C ATOM 339 CD ARG A 23 9.165 3.643 4.100 1.00 0.00 C ATOM 340 NE ARG A 23 10.542 3.460 3.558 1.00 0.00 N ATOM 341 CZ ARG A 23 11.323 4.493 3.388 1.00 0.00 C ATOM 342 NH1 ARG A 23 12.070 4.916 4.371 1.00 0.00 N ATOM 343 NH2 ARG A 23 11.363 5.097 2.233 1.00 0.00 N ATOM 0 H ARG A 23 9.784 2.655 0.966 1.00 0.00 H new ATOM 0 HA ARG A 23 7.244 3.050 -0.000 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.611 3.105 2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.140 2.250 2.336 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.855 5.003 2.455 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.477 4.857 3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 23 9.196 4.264 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 23 8.750 2.679 4.395 1.00 0.00 H new ATOM 0 HE ARG A 23 10.875 2.526 3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.044 4.440 5.273 1.00 0.00 H new ATOM 0 HH12 ARG A 23 12.680 5.723 4.238 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.784 4.763 1.462 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.973 5.904 2.100 1.00 0.00 H new ATOM 357 N GLU A 24 8.579 5.927 0.303 1.00 0.00 N ATOM 358 CA GLU A 24 8.300 7.380 0.110 1.00 0.00 C ATOM 359 C GLU A 24 7.885 7.591 -1.345 1.00 0.00 C ATOM 360 O GLU A 24 6.815 8.085 -1.638 1.00 0.00 O ATOM 361 CB GLU A 24 9.559 8.196 0.419 1.00 0.00 C ATOM 362 CG GLU A 24 9.944 8.014 1.890 1.00 0.00 C ATOM 363 CD GLU A 24 8.846 8.591 2.788 1.00 0.00 C ATOM 364 OE1 GLU A 24 8.823 9.798 2.962 1.00 0.00 O ATOM 365 OE2 GLU A 24 8.047 7.814 3.288 1.00 0.00 O ATOM 0 H GLU A 24 9.563 5.663 0.262 1.00 0.00 H new ATOM 0 HA GLU A 24 7.505 7.707 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.379 7.875 -0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.382 9.250 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.088 6.956 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.892 8.513 2.092 1.00 0.00 H new ATOM 372 N GLU A 25 8.741 7.200 -2.252 1.00 0.00 N ATOM 373 CA GLU A 25 8.427 7.344 -3.703 1.00 0.00 C ATOM 374 C GLU A 25 7.056 6.716 -3.972 1.00 0.00 C ATOM 375 O GLU A 25 6.182 7.327 -4.561 1.00 0.00 O ATOM 376 CB GLU A 25 9.496 6.625 -4.532 1.00 0.00 C ATOM 377 CG GLU A 25 10.837 7.351 -4.383 1.00 0.00 C ATOM 378 CD GLU A 25 10.850 8.594 -5.278 1.00 0.00 C ATOM 379 OE1 GLU A 25 11.191 8.459 -6.442 1.00 0.00 O ATOM 380 OE2 GLU A 25 10.518 9.659 -4.785 1.00 0.00 O ATOM 0 H GLU A 25 9.650 6.784 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 25 8.413 8.398 -3.980 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.592 5.591 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.200 6.598 -5.581 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.993 7.638 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.655 6.685 -4.657 1.00 0.00 H new ATOM 387 N VAL A 26 6.859 5.500 -3.526 1.00 0.00 N ATOM 388 CA VAL A 26 5.546 4.832 -3.737 1.00 0.00 C ATOM 389 C VAL A 26 4.455 5.626 -3.011 1.00 0.00 C ATOM 390 O VAL A 26 3.315 5.628 -3.418 1.00 0.00 O ATOM 391 CB VAL A 26 5.600 3.395 -3.196 1.00 0.00 C ATOM 392 CG1 VAL A 26 5.351 3.393 -1.685 1.00 0.00 C ATOM 393 CG2 VAL A 26 4.527 2.547 -3.887 1.00 0.00 C ATOM 0 H VAL A 26 7.553 4.944 -3.026 1.00 0.00 H new ATOM 0 HA VAL A 26 5.320 4.797 -4.803 1.00 0.00 H new ATOM 0 HB VAL A 26 6.586 2.977 -3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.391 2.370 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.116 3.991 -1.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.368 3.817 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.566 1.528 -3.503 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.543 2.972 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.708 2.537 -4.962 1.00 0.00 H new ATOM 403 N LYS A 27 4.800 6.307 -1.943 1.00 0.00 N ATOM 404 CA LYS A 27 3.778 7.106 -1.203 1.00 0.00 C ATOM 405 C LYS A 27 3.184 8.153 -2.146 1.00 0.00 C ATOM 406 O LYS A 27 2.001 8.435 -2.109 1.00 0.00 O ATOM 407 CB LYS A 27 4.429 7.813 -0.008 1.00 0.00 C ATOM 408 CG LYS A 27 3.480 7.773 1.195 1.00 0.00 C ATOM 409 CD LYS A 27 3.541 6.392 1.859 1.00 0.00 C ATOM 410 CE LYS A 27 2.167 6.038 2.435 1.00 0.00 C ATOM 411 NZ LYS A 27 1.770 7.061 3.446 1.00 0.00 N ATOM 0 H LYS A 27 5.743 6.342 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 27 2.994 6.441 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.372 7.328 0.244 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.661 8.846 -0.266 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.756 8.545 1.914 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.461 7.987 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.846 5.640 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.290 6.391 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.427 5.995 1.636 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.198 5.050 2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.023 6.673 4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.595 7.314 4.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.415 7.909 2.960 1.00 0.00 H new ATOM 425 N ALA A 28 3.995 8.716 -3.005 1.00 0.00 N ATOM 426 CA ALA A 28 3.479 9.732 -3.964 1.00 0.00 C ATOM 427 C ALA A 28 2.577 9.028 -4.976 1.00 0.00 C ATOM 428 O ALA A 28 1.566 9.554 -5.398 1.00 0.00 O ATOM 429 CB ALA A 28 4.654 10.392 -4.692 1.00 0.00 C ATOM 0 H ALA A 28 4.992 8.514 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 28 2.916 10.499 -3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.276 11.135 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.306 10.877 -3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.218 9.634 -5.236 1.00 0.00 H new ATOM 435 N LEU A 29 2.936 7.828 -5.351 1.00 0.00 N ATOM 436 CA LEU A 29 2.106 7.060 -6.322 1.00 0.00 C ATOM 437 C LEU A 29 0.941 6.402 -5.574 1.00 0.00 C ATOM 438 O LEU A 29 -0.093 6.115 -6.145 1.00 0.00 O ATOM 439 CB LEU A 29 2.971 5.979 -6.981 1.00 0.00 C ATOM 440 CG LEU A 29 3.167 6.297 -8.468 1.00 0.00 C ATOM 441 CD1 LEU A 29 3.897 7.636 -8.622 1.00 0.00 C ATOM 442 CD2 LEU A 29 3.998 5.187 -9.119 1.00 0.00 C ATOM 0 H LEU A 29 3.773 7.346 -5.024 1.00 0.00 H new ATOM 0 HA LEU A 29 1.716 7.729 -7.089 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.939 5.922 -6.482 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.497 5.004 -6.869 1.00 0.00 H new ATOM 0 HG LEU A 29 2.193 6.361 -8.954 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.033 7.856 -9.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.307 8.427 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.871 7.578 -8.135 1.00 0.00 H new ATOM 0 HD21 LEU A 29 4.139 5.411 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.970 5.125 -8.629 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.478 4.235 -9.016 1.00 0.00 H new ATOM 454 N LEU A 30 1.110 6.156 -4.299 1.00 0.00 N ATOM 455 CA LEU A 30 0.035 5.510 -3.491 1.00 0.00 C ATOM 456 C LEU A 30 -1.066 6.530 -3.189 1.00 0.00 C ATOM 457 O LEU A 30 -2.234 6.278 -3.412 1.00 0.00 O ATOM 458 CB LEU A 30 0.647 4.995 -2.180 1.00 0.00 C ATOM 459 CG LEU A 30 -0.378 4.165 -1.397 1.00 0.00 C ATOM 460 CD1 LEU A 30 -0.939 3.055 -2.287 1.00 0.00 C ATOM 461 CD2 LEU A 30 0.305 3.541 -0.174 1.00 0.00 C ATOM 0 H LEU A 30 1.959 6.379 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.400 4.679 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.526 4.388 -2.396 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.982 5.836 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.194 4.812 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.666 2.470 -1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.424 3.497 -3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.127 2.406 -2.615 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.420 2.950 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.122 2.898 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.700 4.331 0.465 1.00 0.00 H new ATOM 473 N ARG A 31 -0.705 7.685 -2.690 1.00 0.00 N ATOM 474 CA ARG A 31 -1.734 8.725 -2.387 1.00 0.00 C ATOM 475 C ARG A 31 -2.469 9.076 -3.682 1.00 0.00 C ATOM 476 O ARG A 31 -3.681 9.166 -3.722 1.00 0.00 O ATOM 477 CB ARG A 31 -1.046 9.973 -1.825 1.00 0.00 C ATOM 478 CG ARG A 31 -2.029 10.759 -0.951 1.00 0.00 C ATOM 479 CD ARG A 31 -1.369 12.058 -0.475 1.00 0.00 C ATOM 480 NE ARG A 31 -1.751 13.175 -1.387 1.00 0.00 N ATOM 481 CZ ARG A 31 -1.327 13.188 -2.621 1.00 0.00 C ATOM 482 NH1 ARG A 31 -0.065 13.401 -2.877 1.00 0.00 N ATOM 483 NH2 ARG A 31 -2.164 12.987 -3.602 1.00 0.00 N ATOM 0 H ARG A 31 0.257 7.952 -2.480 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.444 8.349 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.174 9.685 -1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.689 10.601 -2.641 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.933 10.985 -1.516 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.331 10.157 -0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.681 12.284 0.545 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.285 11.943 -0.458 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.345 13.930 -1.045 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.591 13.558 -2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.265 13.411 -3.842 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.151 12.820 -3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.832 12.997 -4.566 1.00 0.00 H new ATOM 497 N ARG A 32 -1.729 9.250 -4.743 1.00 0.00 N ATOM 498 CA ARG A 32 -2.358 9.569 -6.056 1.00 0.00 C ATOM 499 C ARG A 32 -3.300 8.421 -6.432 1.00 0.00 C ATOM 500 O ARG A 32 -4.304 8.611 -7.091 1.00 0.00 O ATOM 501 CB ARG A 32 -1.273 9.714 -7.126 1.00 0.00 C ATOM 502 CG ARG A 32 -1.880 10.326 -8.392 1.00 0.00 C ATOM 503 CD ARG A 32 -0.763 10.852 -9.296 1.00 0.00 C ATOM 504 NE ARG A 32 -0.124 12.033 -8.651 1.00 0.00 N ATOM 505 CZ ARG A 32 1.041 12.453 -9.062 1.00 0.00 C ATOM 506 NH1 ARG A 32 1.122 13.231 -10.106 1.00 0.00 N ATOM 507 NH2 ARG A 32 2.124 12.094 -8.431 1.00 0.00 N ATOM 0 H ARG A 32 -0.711 9.185 -4.757 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.913 10.504 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.465 10.345 -6.756 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.839 8.740 -7.353 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.469 9.578 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.559 11.137 -8.127 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -0.022 10.072 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.167 11.129 -10.270 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.598 12.514 -7.887 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.275 13.511 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.032 13.560 -10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.061 11.484 -7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.034 12.423 -8.753 1.00 0.00 H new ATOM 521 N LEU A 33 -2.959 7.226 -6.020 1.00 0.00 N ATOM 522 CA LEU A 33 -3.792 6.028 -6.338 1.00 0.00 C ATOM 523 C LEU A 33 -5.184 6.135 -5.688 1.00 0.00 C ATOM 524 O LEU A 33 -5.933 5.178 -5.664 1.00 0.00 O ATOM 525 CB LEU A 33 -3.072 4.779 -5.809 1.00 0.00 C ATOM 526 CG LEU A 33 -3.568 3.528 -6.542 1.00 0.00 C ATOM 527 CD1 LEU A 33 -3.433 3.712 -8.058 1.00 0.00 C ATOM 528 CD2 LEU A 33 -2.741 2.317 -6.098 1.00 0.00 C ATOM 0 H LEU A 33 -2.125 7.028 -5.468 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.927 5.964 -7.418 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.996 4.886 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.249 4.675 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.618 3.367 -6.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.789 2.816 -8.566 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.027 4.569 -8.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.387 3.882 -8.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.092 1.426 -6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.691 2.486 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.851 2.176 -5.023 1.00 0.00 H new ATOM 540 N GLY A 34 -5.551 7.287 -5.185 1.00 0.00 N ATOM 541 CA GLY A 34 -6.904 7.441 -4.569 1.00 0.00 C ATOM 542 C GLY A 34 -6.962 6.763 -3.196 1.00 0.00 C ATOM 543 O GLY A 34 -7.551 7.286 -2.268 1.00 0.00 O ATOM 0 H GLY A 34 -4.972 8.127 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.142 8.500 -4.466 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.658 7.007 -5.225 1.00 0.00 H new ATOM 547 N ALA A 35 -6.370 5.604 -3.057 1.00 0.00 N ATOM 548 CA ALA A 35 -6.405 4.893 -1.743 1.00 0.00 C ATOM 549 C ALA A 35 -5.850 5.799 -0.641 1.00 0.00 C ATOM 550 O ALA A 35 -4.914 6.548 -0.852 1.00 0.00 O ATOM 551 CB ALA A 35 -5.560 3.621 -1.833 1.00 0.00 C ATOM 0 H ALA A 35 -5.863 5.119 -3.798 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.436 4.634 -1.503 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.584 3.100 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.963 2.971 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.531 3.884 -2.078 1.00 0.00 H new ATOM 557 N LYS A 36 -6.419 5.731 0.537 1.00 0.00 N ATOM 558 CA LYS A 36 -5.925 6.581 1.660 1.00 0.00 C ATOM 559 C LYS A 36 -4.606 6.002 2.173 1.00 0.00 C ATOM 560 O LYS A 36 -4.391 4.807 2.128 1.00 0.00 O ATOM 561 CB LYS A 36 -6.961 6.591 2.789 1.00 0.00 C ATOM 562 CG LYS A 36 -6.560 7.625 3.847 1.00 0.00 C ATOM 563 CD LYS A 36 -7.590 7.628 4.983 1.00 0.00 C ATOM 564 CE LYS A 36 -8.783 8.508 4.596 1.00 0.00 C ATOM 565 NZ LYS A 36 -9.739 8.580 5.738 1.00 0.00 N ATOM 0 H LYS A 36 -7.205 5.123 0.768 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.768 7.602 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.947 6.829 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.030 5.602 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.571 7.392 4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.498 8.616 3.396 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.926 6.611 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.133 8.000 5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.440 9.508 4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.280 8.099 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.549 9.177 5.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.075 7.624 5.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.261 8.989 6.566 1.00 0.00 H new ATOM 579 N VAL A 37 -3.715 6.834 2.649 1.00 0.00 N ATOM 580 CA VAL A 37 -2.410 6.320 3.149 1.00 0.00 C ATOM 581 C VAL A 37 -2.163 6.823 4.573 1.00 0.00 C ATOM 582 O VAL A 37 -2.779 7.770 5.025 1.00 0.00 O ATOM 583 CB VAL A 37 -1.286 6.811 2.232 1.00 0.00 C ATOM 584 CG1 VAL A 37 -1.603 6.430 0.785 1.00 0.00 C ATOM 585 CG2 VAL A 37 -1.157 8.336 2.340 1.00 0.00 C ATOM 0 H VAL A 37 -3.837 7.845 2.712 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.431 5.230 3.153 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.348 6.347 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.803 6.780 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.689 5.346 0.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.544 6.892 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.356 8.681 1.686 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.096 8.803 2.041 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.927 8.610 3.370 1.00 0.00 H new ATOM 595 N THR A 38 -1.263 6.192 5.279 1.00 0.00 N ATOM 596 CA THR A 38 -0.956 6.619 6.675 1.00 0.00 C ATOM 597 C THR A 38 0.400 6.037 7.084 1.00 0.00 C ATOM 598 O THR A 38 1.127 5.505 6.267 1.00 0.00 O ATOM 599 CB THR A 38 -2.046 6.105 7.630 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.153 5.621 6.883 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.506 7.244 8.543 1.00 0.00 C ATOM 0 H THR A 38 -0.723 5.393 4.946 1.00 0.00 H new ATOM 0 HA THR A 38 -0.924 7.707 6.727 1.00 0.00 H new ATOM 0 HB THR A 38 -1.639 5.295 8.235 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.948 5.594 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.279 6.879 9.219 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.659 7.610 9.123 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.909 8.056 7.937 1.00 0.00 H new ATOM 609 N ASP A 39 0.743 6.126 8.341 1.00 0.00 N ATOM 610 CA ASP A 39 2.052 5.567 8.805 1.00 0.00 C ATOM 611 C ASP A 39 1.952 5.118 10.273 1.00 0.00 C ATOM 612 O ASP A 39 2.853 4.487 10.794 1.00 0.00 O ATOM 613 CB ASP A 39 3.138 6.639 8.672 1.00 0.00 C ATOM 614 CG ASP A 39 2.634 7.955 9.270 1.00 0.00 C ATOM 615 OD1 ASP A 39 2.747 8.119 10.475 1.00 0.00 O ATOM 616 OD2 ASP A 39 2.140 8.777 8.515 1.00 0.00 O ATOM 0 H ASP A 39 0.176 6.561 9.069 1.00 0.00 H new ATOM 0 HA ASP A 39 2.306 4.704 8.189 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.045 6.318 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.398 6.780 7.623 1.00 0.00 H new ATOM 621 N SER A 40 0.867 5.429 10.940 1.00 0.00 N ATOM 622 CA SER A 40 0.703 5.018 12.364 1.00 0.00 C ATOM 623 C SER A 40 -0.573 4.185 12.494 1.00 0.00 C ATOM 624 O SER A 40 -1.275 3.961 11.526 1.00 0.00 O ATOM 625 CB SER A 40 0.598 6.266 13.244 1.00 0.00 C ATOM 626 OG SER A 40 0.588 5.878 14.611 1.00 0.00 O ATOM 0 H SER A 40 0.083 5.954 10.553 1.00 0.00 H new ATOM 0 HA SER A 40 1.561 4.427 12.683 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.438 6.933 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.311 6.818 13.004 1.00 0.00 H new ATOM 0 HG SER A 40 0.523 6.675 15.177 1.00 0.00 H new ATOM 632 N VAL A 41 -0.879 3.721 13.679 1.00 0.00 N ATOM 633 CA VAL A 41 -2.111 2.897 13.862 1.00 0.00 C ATOM 634 C VAL A 41 -2.719 3.166 15.241 1.00 0.00 C ATOM 635 O VAL A 41 -2.025 3.460 16.195 1.00 0.00 O ATOM 636 CB VAL A 41 -1.755 1.411 13.745 1.00 0.00 C ATOM 637 CG1 VAL A 41 -1.430 1.075 12.287 1.00 0.00 C ATOM 638 CG2 VAL A 41 -0.538 1.098 14.622 1.00 0.00 C ATOM 0 H VAL A 41 -0.331 3.877 14.525 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.835 3.163 13.092 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.603 0.813 14.078 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.177 0.018 12.205 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.297 1.290 11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.585 1.677 11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.289 0.040 14.535 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.311 1.698 14.294 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.769 1.332 15.661 1.00 0.00 H new ATOM 648 N SER A 42 -4.019 3.066 15.344 1.00 0.00 N ATOM 649 CA SER A 42 -4.703 3.308 16.648 1.00 0.00 C ATOM 650 C SER A 42 -5.834 2.293 16.816 1.00 0.00 C ATOM 651 O SER A 42 -5.994 1.692 17.862 1.00 0.00 O ATOM 652 CB SER A 42 -5.284 4.723 16.661 1.00 0.00 C ATOM 653 OG SER A 42 -6.126 4.896 15.528 1.00 0.00 O ATOM 0 H SER A 42 -4.641 2.825 14.573 1.00 0.00 H new ATOM 0 HA SER A 42 -3.989 3.201 17.464 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.850 4.888 17.578 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.480 5.459 16.647 1.00 0.00 H new ATOM 0 HG SER A 42 -6.501 5.801 15.534 1.00 0.00 H new ATOM 659 N ARG A 43 -6.614 2.098 15.786 1.00 0.00 N ATOM 660 CA ARG A 43 -7.743 1.127 15.845 1.00 0.00 C ATOM 661 C ARG A 43 -8.409 1.099 14.468 1.00 0.00 C ATOM 662 O ARG A 43 -8.372 0.108 13.765 1.00 0.00 O ATOM 663 CB ARG A 43 -8.763 1.573 16.903 1.00 0.00 C ATOM 664 CG ARG A 43 -10.017 0.693 16.828 1.00 0.00 C ATOM 665 CD ARG A 43 -9.653 -0.760 17.148 1.00 0.00 C ATOM 666 NE ARG A 43 -10.845 -1.460 17.706 1.00 0.00 N ATOM 667 CZ ARG A 43 -10.696 -2.546 18.416 1.00 0.00 C ATOM 668 NH1 ARG A 43 -10.132 -2.485 19.592 1.00 0.00 N ATOM 669 NH2 ARG A 43 -11.113 -3.691 17.951 1.00 0.00 N ATOM 0 H ARG A 43 -6.514 2.579 14.892 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.376 0.136 16.114 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.321 1.506 17.897 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.032 2.617 16.743 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.767 1.053 17.532 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.457 0.756 15.833 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.309 -1.267 16.246 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.832 -0.791 17.864 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.780 -1.090 17.533 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.808 -1.589 19.956 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.016 -3.333 20.146 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.555 -3.738 17.033 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.997 -4.539 18.505 1.00 0.00 H new ATOM 683 N LYS A 44 -9.010 2.194 14.085 1.00 0.00 N ATOM 684 CA LYS A 44 -9.679 2.266 12.754 1.00 0.00 C ATOM 685 C LYS A 44 -8.641 2.006 11.657 1.00 0.00 C ATOM 686 O LYS A 44 -8.950 1.475 10.608 1.00 0.00 O ATOM 687 CB LYS A 44 -10.296 3.656 12.564 1.00 0.00 C ATOM 688 CG LYS A 44 -11.139 4.014 13.794 1.00 0.00 C ATOM 689 CD LYS A 44 -12.244 4.999 13.399 1.00 0.00 C ATOM 690 CE LYS A 44 -12.739 5.740 14.644 1.00 0.00 C ATOM 691 NZ LYS A 44 -13.374 4.773 15.583 1.00 0.00 N ATOM 0 H LYS A 44 -9.066 3.047 14.641 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.467 1.515 12.697 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.510 4.398 12.420 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -10.916 3.671 11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.579 3.112 14.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.506 4.454 14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.865 5.711 12.666 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.070 4.465 12.928 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.906 6.245 15.134 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.456 6.510 14.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.857 5.293 16.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.065 4.192 15.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.643 4.158 15.995 1.00 0.00 H new ATOM 705 N THR A 45 -7.408 2.372 11.904 1.00 0.00 N ATOM 706 CA THR A 45 -6.331 2.146 10.896 1.00 0.00 C ATOM 707 C THR A 45 -5.370 1.079 11.427 1.00 0.00 C ATOM 708 O THR A 45 -4.848 1.194 12.519 1.00 0.00 O ATOM 709 CB THR A 45 -5.568 3.454 10.663 1.00 0.00 C ATOM 710 OG1 THR A 45 -6.495 4.519 10.505 1.00 0.00 O ATOM 711 CG2 THR A 45 -4.711 3.329 9.403 1.00 0.00 C ATOM 0 H THR A 45 -7.101 2.821 12.767 1.00 0.00 H new ATOM 0 HA THR A 45 -6.768 1.813 9.955 1.00 0.00 H new ATOM 0 HB THR A 45 -4.924 3.657 11.518 1.00 0.00 H new ATOM 0 HG1 THR A 45 -6.009 5.357 10.358 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.169 4.260 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.000 2.512 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.352 3.126 8.545 1.00 0.00 H new ATOM 719 N SER A 46 -5.139 0.039 10.667 1.00 0.00 N ATOM 720 CA SER A 46 -4.220 -1.039 11.137 1.00 0.00 C ATOM 721 C SER A 46 -3.834 -1.941 9.968 1.00 0.00 C ATOM 722 O SER A 46 -3.621 -3.126 10.125 1.00 0.00 O ATOM 723 CB SER A 46 -4.928 -1.863 12.201 1.00 0.00 C ATOM 724 OG SER A 46 -6.080 -2.476 11.638 1.00 0.00 O ATOM 0 H SER A 46 -5.546 -0.109 9.744 1.00 0.00 H new ATOM 0 HA SER A 46 -3.317 -0.591 11.552 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.254 -2.624 12.595 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.214 -1.226 13.038 1.00 0.00 H new ATOM 0 HG SER A 46 -6.535 -3.008 12.323 1.00 0.00 H new ATOM 730 N TYR A 47 -3.737 -1.377 8.803 1.00 0.00 N ATOM 731 CA TYR A 47 -3.359 -2.169 7.595 1.00 0.00 C ATOM 732 C TYR A 47 -1.953 -1.766 7.152 1.00 0.00 C ATOM 733 O TYR A 47 -1.622 -0.599 7.107 1.00 0.00 O ATOM 734 CB TYR A 47 -4.353 -1.885 6.466 1.00 0.00 C ATOM 735 CG TYR A 47 -5.731 -2.342 6.883 1.00 0.00 C ATOM 736 CD1 TYR A 47 -6.529 -1.514 7.681 1.00 0.00 C ATOM 737 CD2 TYR A 47 -6.208 -3.594 6.476 1.00 0.00 C ATOM 738 CE1 TYR A 47 -7.805 -1.936 8.071 1.00 0.00 C ATOM 739 CE2 TYR A 47 -7.484 -4.017 6.866 1.00 0.00 C ATOM 740 CZ TYR A 47 -8.282 -3.188 7.665 1.00 0.00 C ATOM 741 OH TYR A 47 -9.539 -3.605 8.050 1.00 0.00 O ATOM 0 H TYR A 47 -3.905 -0.386 8.628 1.00 0.00 H new ATOM 0 HA TYR A 47 -3.378 -3.233 7.832 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -4.365 -0.819 6.237 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.046 -2.403 5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.160 -0.549 7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -5.592 -4.233 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.421 -1.296 8.685 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -7.853 -4.982 6.551 1.00 0.00 H new ATOM 0 HH TYR A 47 -9.715 -4.496 7.682 1.00 0.00 H new ATOM 751 N LEU A 48 -1.122 -2.722 6.827 1.00 0.00 N ATOM 752 CA LEU A 48 0.266 -2.391 6.392 1.00 0.00 C ATOM 753 C LEU A 48 0.485 -2.882 4.964 1.00 0.00 C ATOM 754 O LEU A 48 0.209 -4.021 4.636 1.00 0.00 O ATOM 755 CB LEU A 48 1.271 -3.070 7.344 1.00 0.00 C ATOM 756 CG LEU A 48 2.575 -3.442 6.613 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.769 -3.009 7.466 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.627 -4.960 6.407 1.00 0.00 C ATOM 0 H LEU A 48 -1.345 -3.717 6.844 1.00 0.00 H new ATOM 0 HA LEU A 48 0.414 -1.312 6.421 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.496 -2.401 8.175 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.822 -3.967 7.770 1.00 0.00 H new ATOM 0 HG LEU A 48 2.610 -2.940 5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.695 -3.270 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.732 -1.931 7.623 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.731 -3.518 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.549 -5.226 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.597 -5.460 7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.772 -5.276 5.809 1.00 0.00 H new ATOM 770 N VAL A 49 1.008 -2.032 4.121 1.00 0.00 N ATOM 771 CA VAL A 49 1.291 -2.443 2.719 1.00 0.00 C ATOM 772 C VAL A 49 2.638 -3.151 2.722 1.00 0.00 C ATOM 773 O VAL A 49 3.652 -2.547 3.019 1.00 0.00 O ATOM 774 CB VAL A 49 1.377 -1.214 1.794 1.00 0.00 C ATOM 775 CG1 VAL A 49 0.394 -1.367 0.630 1.00 0.00 C ATOM 776 CG2 VAL A 49 1.052 0.063 2.575 1.00 0.00 C ATOM 0 H VAL A 49 1.252 -1.067 4.346 1.00 0.00 H new ATOM 0 HA VAL A 49 0.493 -3.090 2.354 1.00 0.00 H new ATOM 0 HB VAL A 49 2.392 -1.143 1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.461 -0.494 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.641 -2.263 0.060 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.620 -1.453 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.117 0.923 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.043 -0.006 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.765 0.182 3.391 1.00 0.00 H new ATOM 786 N VAL A 50 2.667 -4.426 2.445 1.00 0.00 N ATOM 787 CA VAL A 50 3.965 -5.160 2.488 1.00 0.00 C ATOM 788 C VAL A 50 5.013 -4.404 1.661 1.00 0.00 C ATOM 789 O VAL A 50 4.697 -3.526 0.882 1.00 0.00 O ATOM 790 CB VAL A 50 3.762 -6.571 1.919 1.00 0.00 C ATOM 791 CG1 VAL A 50 5.100 -7.314 1.860 1.00 0.00 C ATOM 792 CG2 VAL A 50 2.796 -7.345 2.823 1.00 0.00 C ATOM 0 H VAL A 50 1.855 -4.989 2.192 1.00 0.00 H new ATOM 0 HA VAL A 50 4.315 -5.232 3.518 1.00 0.00 H new ATOM 0 HB VAL A 50 3.352 -6.494 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.943 -8.314 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.792 -6.767 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.518 -7.391 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.648 -8.348 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.213 -7.413 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.839 -6.825 2.862 1.00 0.00 H new ATOM 802 N GLY A 51 6.261 -4.746 1.831 1.00 0.00 N ATOM 803 CA GLY A 51 7.339 -4.056 1.066 1.00 0.00 C ATOM 804 C GLY A 51 8.471 -5.034 0.743 1.00 0.00 C ATOM 805 O GLY A 51 8.286 -6.000 0.027 1.00 0.00 O ATOM 0 H GLY A 51 6.581 -5.475 2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.932 -3.643 0.143 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.727 -3.219 1.646 1.00 0.00 H new ATOM 809 N GLU A 52 9.645 -4.774 1.255 1.00 0.00 N ATOM 810 CA GLU A 52 10.813 -5.663 0.976 1.00 0.00 C ATOM 811 C GLU A 52 10.778 -6.888 1.902 1.00 0.00 C ATOM 812 O GLU A 52 9.752 -7.516 2.074 1.00 0.00 O ATOM 813 CB GLU A 52 12.101 -4.865 1.208 1.00 0.00 C ATOM 814 CG GLU A 52 13.228 -5.426 0.337 1.00 0.00 C ATOM 815 CD GLU A 52 13.263 -4.677 -0.998 1.00 0.00 C ATOM 816 OE1 GLU A 52 13.719 -3.544 -1.008 1.00 0.00 O ATOM 817 OE2 GLU A 52 12.832 -5.246 -1.987 1.00 0.00 O ATOM 0 H GLU A 52 9.847 -3.978 1.859 1.00 0.00 H new ATOM 0 HA GLU A 52 10.774 -6.012 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 52 11.935 -3.814 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.384 -4.913 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.184 -5.322 0.850 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.073 -6.491 0.165 1.00 0.00 H new ATOM 824 N ASN A 53 11.896 -7.227 2.495 1.00 0.00 N ATOM 825 CA ASN A 53 11.943 -8.407 3.411 1.00 0.00 C ATOM 826 C ASN A 53 12.327 -7.949 4.829 1.00 0.00 C ATOM 827 O ASN A 53 11.589 -8.178 5.767 1.00 0.00 O ATOM 828 CB ASN A 53 12.951 -9.437 2.880 1.00 0.00 C ATOM 829 CG ASN A 53 13.513 -10.270 4.037 1.00 0.00 C ATOM 830 OD1 ASN A 53 14.672 -10.150 4.380 1.00 0.00 O ATOM 831 ND2 ASN A 53 12.734 -11.115 4.656 1.00 0.00 N ATOM 0 H ASN A 53 12.782 -6.734 2.383 1.00 0.00 H new ATOM 0 HA ASN A 53 10.960 -8.875 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.467 -10.090 2.153 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.763 -8.928 2.360 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.099 -11.674 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 53 11.761 -11.216 4.368 1.00 0.00 H new ATOM 838 N PRO A 54 13.462 -7.300 4.996 1.00 0.00 N ATOM 839 CA PRO A 54 13.906 -6.813 6.334 1.00 0.00 C ATOM 840 C PRO A 54 13.147 -5.551 6.757 1.00 0.00 C ATOM 841 O PRO A 54 13.588 -4.801 7.607 1.00 0.00 O ATOM 842 CB PRO A 54 15.391 -6.500 6.138 1.00 0.00 C ATOM 843 CG PRO A 54 15.551 -6.208 4.683 1.00 0.00 C ATOM 844 CD PRO A 54 14.442 -6.961 3.944 1.00 0.00 C ATOM 0 HA PRO A 54 13.720 -7.547 7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.695 -5.647 6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.012 -7.343 6.439 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.479 -5.137 4.496 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.532 -6.528 4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 54 13.992 -6.343 3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 54 14.827 -7.857 3.456 1.00 0.00 H new ATOM 852 N GLY A 55 12.010 -5.309 6.156 1.00 0.00 N ATOM 853 CA GLY A 55 11.217 -4.095 6.499 1.00 0.00 C ATOM 854 C GLY A 55 10.665 -4.204 7.917 1.00 0.00 C ATOM 855 O GLY A 55 10.431 -5.284 8.427 1.00 0.00 O ATOM 0 H GLY A 55 11.597 -5.905 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.844 -3.207 6.413 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.397 -3.976 5.791 1.00 0.00 H new ATOM 859 N SER A 56 10.442 -3.083 8.548 1.00 0.00 N ATOM 860 CA SER A 56 9.888 -3.087 9.929 1.00 0.00 C ATOM 861 C SER A 56 8.480 -3.686 9.896 1.00 0.00 C ATOM 862 O SER A 56 7.859 -3.903 10.919 1.00 0.00 O ATOM 863 CB SER A 56 9.829 -1.651 10.448 1.00 0.00 C ATOM 864 OG SER A 56 9.418 -1.655 11.810 1.00 0.00 O ATOM 0 H SER A 56 10.622 -2.157 8.161 1.00 0.00 H new ATOM 0 HA SER A 56 10.521 -3.682 10.588 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.807 -1.179 10.354 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.132 -1.065 9.849 1.00 0.00 H new ATOM 0 HG SER A 56 9.270 -2.578 12.104 1.00 0.00 H new ATOM 870 N LYS A 57 7.977 -3.953 8.716 1.00 0.00 N ATOM 871 CA LYS A 57 6.616 -4.542 8.579 1.00 0.00 C ATOM 872 C LYS A 57 6.488 -5.775 9.475 1.00 0.00 C ATOM 873 O LYS A 57 5.413 -6.124 9.906 1.00 0.00 O ATOM 874 CB LYS A 57 6.392 -4.955 7.120 1.00 0.00 C ATOM 875 CG LYS A 57 7.314 -6.128 6.763 1.00 0.00 C ATOM 876 CD LYS A 57 7.196 -6.441 5.270 1.00 0.00 C ATOM 877 CE LYS A 57 7.873 -7.782 4.975 1.00 0.00 C ATOM 878 NZ LYS A 57 7.614 -8.168 3.561 1.00 0.00 N ATOM 0 H LYS A 57 8.460 -3.785 7.834 1.00 0.00 H new ATOM 0 HA LYS A 57 5.872 -3.803 8.877 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.351 -5.240 6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.590 -4.111 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.346 -5.881 7.012 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.046 -7.006 7.351 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.147 -6.479 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.662 -5.649 4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.946 -7.707 5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.492 -8.550 5.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.503 -8.473 3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.928 -8.949 3.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.230 -7.352 3.043 1.00 0.00 H new ATOM 892 N LEU A 58 7.580 -6.438 9.749 1.00 0.00 N ATOM 893 CA LEU A 58 7.532 -7.660 10.606 1.00 0.00 C ATOM 894 C LEU A 58 6.656 -7.414 11.841 1.00 0.00 C ATOM 895 O LEU A 58 6.092 -8.332 12.396 1.00 0.00 O ATOM 896 CB LEU A 58 8.952 -8.020 11.050 1.00 0.00 C ATOM 897 CG LEU A 58 9.749 -8.536 9.846 1.00 0.00 C ATOM 898 CD1 LEU A 58 11.243 -8.287 10.070 1.00 0.00 C ATOM 899 CD2 LEU A 58 9.502 -10.038 9.675 1.00 0.00 C ATOM 0 H LEU A 58 8.509 -6.184 9.414 1.00 0.00 H new ATOM 0 HA LEU A 58 7.103 -8.480 10.031 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.443 -7.146 11.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 8.919 -8.780 11.830 1.00 0.00 H new ATOM 0 HG LEU A 58 9.426 -8.009 8.948 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.806 -8.655 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.420 -7.218 10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.568 -8.810 10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.069 -10.405 8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.822 -10.564 10.574 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.439 -10.215 9.510 1.00 0.00 H new ATOM 911 N GLU A 59 6.533 -6.188 12.273 1.00 0.00 N ATOM 912 CA GLU A 59 5.691 -5.900 13.471 1.00 0.00 C ATOM 913 C GLU A 59 4.216 -5.862 13.078 1.00 0.00 C ATOM 914 O GLU A 59 3.430 -6.672 13.532 1.00 0.00 O ATOM 915 CB GLU A 59 6.098 -4.550 14.072 1.00 0.00 C ATOM 916 CG GLU A 59 7.373 -4.714 14.905 1.00 0.00 C ATOM 917 CD GLU A 59 8.549 -5.068 13.989 1.00 0.00 C ATOM 918 OE1 GLU A 59 9.105 -4.160 13.392 1.00 0.00 O ATOM 919 OE2 GLU A 59 8.874 -6.242 13.899 1.00 0.00 O ATOM 0 H GLU A 59 6.978 -5.374 11.849 1.00 0.00 H new ATOM 0 HA GLU A 59 5.842 -6.688 14.209 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.264 -3.823 13.277 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.293 -4.162 14.696 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.586 -3.792 15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.233 -5.496 15.651 1.00 0.00 H new ATOM 926 N LYS A 60 3.826 -4.936 12.245 1.00 0.00 N ATOM 927 CA LYS A 60 2.392 -4.867 11.845 1.00 0.00 C ATOM 928 C LYS A 60 2.071 -6.010 10.885 1.00 0.00 C ATOM 929 O LYS A 60 0.997 -6.575 10.925 1.00 0.00 O ATOM 930 CB LYS A 60 2.099 -3.530 11.161 1.00 0.00 C ATOM 931 CG LYS A 60 0.580 -3.339 11.058 1.00 0.00 C ATOM 932 CD LYS A 60 0.211 -1.886 11.377 1.00 0.00 C ATOM 933 CE LYS A 60 0.208 -1.053 10.091 1.00 0.00 C ATOM 934 NZ LYS A 60 1.554 -0.449 9.884 1.00 0.00 N ATOM 0 H LYS A 60 4.432 -4.230 11.827 1.00 0.00 H new ATOM 0 HA LYS A 60 1.772 -4.954 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.543 -2.712 11.729 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.548 -3.509 10.168 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.240 -3.597 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.073 -4.012 11.750 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -0.771 -1.846 11.848 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.923 -1.469 12.089 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.055 -1.681 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.547 -0.270 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.626 -0.088 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.690 0.334 10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.286 -1.171 10.040 1.00 0.00 H new ATOM 948 N ALA A 61 2.996 -6.361 10.030 1.00 0.00 N ATOM 949 CA ALA A 61 2.746 -7.473 9.070 1.00 0.00 C ATOM 950 C ALA A 61 2.511 -8.771 9.841 1.00 0.00 C ATOM 951 O ALA A 61 1.609 -9.522 9.522 1.00 0.00 O ATOM 952 CB ALA A 61 3.938 -7.635 8.132 1.00 0.00 C ATOM 0 H ALA A 61 3.915 -5.924 9.956 1.00 0.00 H new ATOM 0 HA ALA A 61 1.862 -7.240 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.744 -8.450 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.091 -6.710 7.575 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.831 -7.860 8.714 1.00 0.00 H new ATOM 958 N ARG A 62 3.285 -9.044 10.867 1.00 0.00 N ATOM 959 CA ARG A 62 3.044 -10.294 11.644 1.00 0.00 C ATOM 960 C ARG A 62 1.651 -10.191 12.247 1.00 0.00 C ATOM 961 O ARG A 62 0.900 -11.145 12.260 1.00 0.00 O ATOM 962 CB ARG A 62 4.083 -10.435 12.760 1.00 0.00 C ATOM 963 CG ARG A 62 5.338 -11.118 12.207 1.00 0.00 C ATOM 964 CD ARG A 62 6.315 -11.415 13.349 1.00 0.00 C ATOM 965 NE ARG A 62 6.465 -10.205 14.210 1.00 0.00 N ATOM 966 CZ ARG A 62 6.301 -10.295 15.503 1.00 0.00 C ATOM 967 NH1 ARG A 62 5.252 -10.902 15.989 1.00 0.00 N ATOM 968 NH2 ARG A 62 7.186 -9.776 16.309 1.00 0.00 N ATOM 0 H ARG A 62 4.059 -8.464 11.192 1.00 0.00 H new ATOM 0 HA ARG A 62 3.125 -11.167 10.996 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.337 -9.454 13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.671 -11.019 13.583 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.066 -12.043 11.700 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.815 -10.477 11.466 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.951 -12.253 13.943 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.284 -11.708 12.945 1.00 0.00 H new ATOM 0 HE ARG A 62 6.696 -9.306 13.788 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.559 -11.307 15.359 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.125 -10.972 16.999 1.00 0.00 H new ATOM 0 HH21 ARG A 62 8.005 -9.301 15.929 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.059 -9.846 17.319 1.00 0.00 H new ATOM 982 N ALA A 63 1.293 -9.009 12.692 1.00 0.00 N ATOM 983 CA ALA A 63 -0.073 -8.760 13.254 1.00 0.00 C ATOM 984 C ALA A 63 -0.585 -9.943 14.084 1.00 0.00 C ATOM 985 O ALA A 63 -1.105 -10.908 13.557 1.00 0.00 O ATOM 986 CB ALA A 63 -1.035 -8.513 12.091 1.00 0.00 C ATOM 0 H ALA A 63 1.903 -8.191 12.689 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.016 -7.896 13.916 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.037 -8.329 12.480 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.702 -7.645 11.522 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.053 -9.388 11.441 1.00 0.00 H new ATOM 992 N LEU A 64 -0.482 -9.859 15.383 1.00 0.00 N ATOM 993 CA LEU A 64 -1.000 -10.964 16.239 1.00 0.00 C ATOM 994 C LEU A 64 -2.502 -10.749 16.462 1.00 0.00 C ATOM 995 O LEU A 64 -3.044 -11.095 17.495 1.00 0.00 O ATOM 996 CB LEU A 64 -0.263 -10.986 17.593 1.00 0.00 C ATOM 997 CG LEU A 64 0.084 -9.562 18.058 1.00 0.00 C ATOM 998 CD1 LEU A 64 -1.192 -8.720 18.185 1.00 0.00 C ATOM 999 CD2 LEU A 64 0.778 -9.634 19.423 1.00 0.00 C ATOM 0 H LEU A 64 -0.064 -9.077 15.886 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.830 -11.920 15.744 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.886 -11.475 18.342 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.650 -11.575 17.504 1.00 0.00 H new ATOM 0 HG LEU A 64 0.745 -9.099 17.325 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.933 -7.714 18.515 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.691 -8.667 17.217 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.860 -9.180 18.913 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.027 -8.627 19.758 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.111 -10.103 20.146 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.691 -10.223 19.336 1.00 0.00 H new ATOM 1011 N GLY A 65 -3.184 -10.182 15.492 1.00 0.00 N ATOM 1012 CA GLY A 65 -4.646 -9.946 15.638 1.00 0.00 C ATOM 1013 C GLY A 65 -5.083 -8.879 14.631 1.00 0.00 C ATOM 1014 O GLY A 65 -6.211 -8.866 14.178 1.00 0.00 O ATOM 0 H GLY A 65 -2.784 -9.874 14.606 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.195 -10.872 15.467 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.875 -9.622 16.653 1.00 0.00 H new ATOM 1018 N VAL A 66 -4.198 -7.976 14.287 1.00 0.00 N ATOM 1019 CA VAL A 66 -4.561 -6.898 13.319 1.00 0.00 C ATOM 1020 C VAL A 66 -4.426 -7.411 11.875 1.00 0.00 C ATOM 1021 O VAL A 66 -3.771 -8.398 11.621 1.00 0.00 O ATOM 1022 CB VAL A 66 -3.648 -5.674 13.522 1.00 0.00 C ATOM 1023 CG1 VAL A 66 -4.406 -4.592 14.297 1.00 0.00 C ATOM 1024 CG2 VAL A 66 -2.395 -6.071 14.314 1.00 0.00 C ATOM 0 H VAL A 66 -3.240 -7.940 14.635 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.596 -6.606 13.497 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.351 -5.293 12.545 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.759 -3.726 14.440 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.291 -4.295 13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.708 -4.984 15.268 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.759 -5.197 14.450 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.689 -6.461 15.288 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.846 -6.837 13.767 1.00 0.00 H new ATOM 1034 N PRO A 67 -5.057 -6.742 10.937 1.00 0.00 N ATOM 1035 CA PRO A 67 -5.022 -7.118 9.498 1.00 0.00 C ATOM 1036 C PRO A 67 -3.894 -6.423 8.718 1.00 0.00 C ATOM 1037 O PRO A 67 -3.580 -5.276 8.954 1.00 0.00 O ATOM 1038 CB PRO A 67 -6.380 -6.634 8.986 1.00 0.00 C ATOM 1039 CG PRO A 67 -6.799 -5.517 9.902 1.00 0.00 C ATOM 1040 CD PRO A 67 -5.889 -5.552 11.140 1.00 0.00 C ATOM 0 HA PRO A 67 -4.837 -8.184 9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.306 -6.286 7.956 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.111 -7.442 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.715 -4.556 9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.843 -5.634 10.193 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.283 -4.649 11.215 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.469 -5.623 12.060 1.00 0.00 H new ATOM 1048 N THR A 68 -3.296 -7.116 7.783 1.00 0.00 N ATOM 1049 CA THR A 68 -2.196 -6.515 6.960 1.00 0.00 C ATOM 1050 C THR A 68 -2.546 -6.699 5.481 1.00 0.00 C ATOM 1051 O THR A 68 -2.980 -7.763 5.079 1.00 0.00 O ATOM 1052 CB THR A 68 -0.883 -7.237 7.271 1.00 0.00 C ATOM 1053 OG1 THR A 68 -1.033 -8.627 7.014 1.00 0.00 O ATOM 1054 CG2 THR A 68 -0.524 -7.022 8.739 1.00 0.00 C ATOM 0 H THR A 68 -3.523 -8.083 7.550 1.00 0.00 H new ATOM 0 HA THR A 68 -2.085 -5.455 7.188 1.00 0.00 H new ATOM 0 HB THR A 68 -0.088 -6.838 6.641 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.192 -9.089 7.212 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.411 -7.535 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.408 -5.956 8.933 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.318 -7.421 9.370 1.00 0.00 H new ATOM 1062 N LEU A 69 -2.391 -5.684 4.662 1.00 0.00 N ATOM 1063 CA LEU A 69 -2.751 -5.833 3.219 1.00 0.00 C ATOM 1064 C LEU A 69 -1.488 -5.945 2.357 1.00 0.00 C ATOM 1065 O LEU A 69 -0.618 -5.095 2.386 1.00 0.00 O ATOM 1066 CB LEU A 69 -3.563 -4.609 2.776 1.00 0.00 C ATOM 1067 CG LEU A 69 -4.754 -5.055 1.919 1.00 0.00 C ATOM 1068 CD1 LEU A 69 -5.772 -3.914 1.825 1.00 0.00 C ATOM 1069 CD2 LEU A 69 -4.269 -5.422 0.511 1.00 0.00 C ATOM 0 H LEU A 69 -2.034 -4.767 4.930 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.341 -6.741 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.917 -4.061 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.930 -3.928 2.208 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.222 -5.925 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.619 -4.231 1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.121 -3.655 2.824 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.302 -3.044 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.118 -5.738 -0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.798 -4.554 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.546 -6.235 0.576 1.00 0.00 H new ATOM 1081 N THR A 70 -1.388 -7.000 1.593 1.00 0.00 N ATOM 1082 CA THR A 70 -0.195 -7.197 0.719 1.00 0.00 C ATOM 1083 C THR A 70 -0.103 -6.066 -0.309 1.00 0.00 C ATOM 1084 O THR A 70 -1.100 -5.619 -0.845 1.00 0.00 O ATOM 1085 CB THR A 70 -0.339 -8.525 -0.027 1.00 0.00 C ATOM 1086 OG1 THR A 70 -0.880 -9.505 0.848 1.00 0.00 O ATOM 1087 CG2 THR A 70 1.030 -8.987 -0.532 1.00 0.00 C ATOM 0 H THR A 70 -2.088 -7.740 1.537 1.00 0.00 H new ATOM 0 HA THR A 70 0.703 -7.200 1.337 1.00 0.00 H new ATOM 0 HB THR A 70 -1.007 -8.389 -0.877 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.974 -10.355 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.922 -9.933 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.441 -8.237 -1.208 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.704 -9.121 0.314 1.00 0.00 H new ATOM 1095 N GLU A 71 1.089 -5.612 -0.598 1.00 0.00 N ATOM 1096 CA GLU A 71 1.256 -4.523 -1.603 1.00 0.00 C ATOM 1097 C GLU A 71 1.116 -5.112 -3.011 1.00 0.00 C ATOM 1098 O GLU A 71 0.835 -4.410 -3.961 1.00 0.00 O ATOM 1099 CB GLU A 71 2.639 -3.886 -1.446 1.00 0.00 C ATOM 1100 CG GLU A 71 2.711 -2.599 -2.275 1.00 0.00 C ATOM 1101 CD GLU A 71 3.952 -1.797 -1.875 1.00 0.00 C ATOM 1102 OE1 GLU A 71 3.972 -1.283 -0.767 1.00 0.00 O ATOM 1103 OE2 GLU A 71 4.860 -1.707 -2.683 1.00 0.00 O ATOM 0 H GLU A 71 1.956 -5.950 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 71 0.492 -3.761 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 71 2.831 -3.665 -0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 71 3.411 -4.584 -1.772 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.749 -2.841 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.813 -2.002 -2.116 1.00 0.00 H new ATOM 1110 N GLU A 72 1.308 -6.401 -3.146 1.00 0.00 N ATOM 1111 CA GLU A 72 1.182 -7.046 -4.488 1.00 0.00 C ATOM 1112 C GLU A 72 -0.174 -6.677 -5.096 1.00 0.00 C ATOM 1113 O GLU A 72 -0.256 -6.224 -6.222 1.00 0.00 O ATOM 1114 CB GLU A 72 1.281 -8.568 -4.337 1.00 0.00 C ATOM 1115 CG GLU A 72 2.748 -9.003 -4.439 1.00 0.00 C ATOM 1116 CD GLU A 72 3.522 -8.503 -3.215 1.00 0.00 C ATOM 1117 OE1 GLU A 72 4.021 -7.391 -3.267 1.00 0.00 O ATOM 1118 OE2 GLU A 72 3.603 -9.242 -2.247 1.00 0.00 O ATOM 0 H GLU A 72 1.547 -7.035 -2.383 1.00 0.00 H new ATOM 0 HA GLU A 72 1.983 -6.698 -5.140 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.866 -8.876 -3.377 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.691 -9.059 -5.111 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.812 -10.089 -4.502 1.00 0.00 H new ATOM 0 HG3 GLU A 72 3.193 -8.604 -5.350 1.00 0.00 H new ATOM 1125 N GLU A 73 -1.236 -6.859 -4.353 1.00 0.00 N ATOM 1126 CA GLU A 73 -2.590 -6.510 -4.875 1.00 0.00 C ATOM 1127 C GLU A 73 -2.592 -5.041 -5.310 1.00 0.00 C ATOM 1128 O GLU A 73 -3.216 -4.671 -6.286 1.00 0.00 O ATOM 1129 CB GLU A 73 -3.630 -6.718 -3.768 1.00 0.00 C ATOM 1130 CG GLU A 73 -5.041 -6.520 -4.335 1.00 0.00 C ATOM 1131 CD GLU A 73 -6.005 -6.172 -3.196 1.00 0.00 C ATOM 1132 OE1 GLU A 73 -6.428 -7.085 -2.505 1.00 0.00 O ATOM 1133 OE2 GLU A 73 -6.301 -5.000 -3.034 1.00 0.00 O ATOM 0 H GLU A 73 -1.223 -7.235 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.836 -7.146 -5.725 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.534 -7.720 -3.350 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.453 -6.015 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -5.037 -5.723 -5.079 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.372 -7.427 -4.841 1.00 0.00 H new ATOM 1140 N LEU A 74 -1.888 -4.206 -4.588 1.00 0.00 N ATOM 1141 CA LEU A 74 -1.831 -2.761 -4.947 1.00 0.00 C ATOM 1142 C LEU A 74 -1.205 -2.606 -6.334 1.00 0.00 C ATOM 1143 O LEU A 74 -1.664 -1.829 -7.144 1.00 0.00 O ATOM 1144 CB LEU A 74 -0.979 -2.014 -3.918 1.00 0.00 C ATOM 1145 CG LEU A 74 -1.091 -0.502 -4.150 1.00 0.00 C ATOM 1146 CD1 LEU A 74 -2.073 0.097 -3.142 1.00 0.00 C ATOM 1147 CD2 LEU A 74 0.284 0.147 -3.970 1.00 0.00 C ATOM 0 H LEU A 74 -1.349 -4.467 -3.762 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.839 -2.347 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.310 -2.262 -2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.062 -2.327 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.450 -0.316 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.153 1.172 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.052 -0.364 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.714 -0.089 -2.130 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.204 1.221 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.644 -0.039 -2.958 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.984 -0.279 -4.688 1.00 0.00 H new ATOM 1159 N TYR A 75 -0.161 -3.347 -6.614 1.00 0.00 N ATOM 1160 CA TYR A 75 0.494 -3.247 -7.951 1.00 0.00 C ATOM 1161 C TYR A 75 -0.485 -3.707 -9.032 1.00 0.00 C ATOM 1162 O TYR A 75 -0.465 -3.223 -10.147 1.00 0.00 O ATOM 1163 CB TYR A 75 1.736 -4.142 -7.984 1.00 0.00 C ATOM 1164 CG TYR A 75 2.903 -3.422 -7.347 1.00 0.00 C ATOM 1165 CD1 TYR A 75 3.546 -2.385 -8.035 1.00 0.00 C ATOM 1166 CD2 TYR A 75 3.343 -3.793 -6.071 1.00 0.00 C ATOM 1167 CE1 TYR A 75 4.628 -1.719 -7.445 1.00 0.00 C ATOM 1168 CE2 TYR A 75 4.424 -3.129 -5.483 1.00 0.00 C ATOM 1169 CZ TYR A 75 5.069 -2.092 -6.169 1.00 0.00 C ATOM 1170 OH TYR A 75 6.136 -1.437 -5.587 1.00 0.00 O ATOM 0 H TYR A 75 0.265 -4.016 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 75 0.785 -2.213 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.538 -5.074 -7.454 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.978 -4.406 -9.013 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.208 -2.099 -9.020 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.847 -4.592 -5.540 1.00 0.00 H new ATOM 0 HE1 TYR A 75 5.122 -0.918 -7.974 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.762 -3.416 -4.498 1.00 0.00 H new ATOM 0 HH TYR A 75 5.999 -1.386 -4.618 1.00 0.00 H new ATOM 1180 N ARG A 76 -1.339 -4.641 -8.707 1.00 0.00 N ATOM 1181 CA ARG A 76 -2.323 -5.142 -9.709 1.00 0.00 C ATOM 1182 C ARG A 76 -3.282 -4.012 -10.093 1.00 0.00 C ATOM 1183 O ARG A 76 -3.183 -3.444 -11.164 1.00 0.00 O ATOM 1184 CB ARG A 76 -3.109 -6.312 -9.105 1.00 0.00 C ATOM 1185 CG ARG A 76 -3.936 -7.005 -10.196 1.00 0.00 C ATOM 1186 CD ARG A 76 -3.008 -7.777 -11.140 1.00 0.00 C ATOM 1187 NE ARG A 76 -3.661 -9.055 -11.549 1.00 0.00 N ATOM 1188 CZ ARG A 76 -4.753 -9.034 -12.265 1.00 0.00 C ATOM 1189 NH1 ARG A 76 -4.763 -8.437 -13.425 1.00 0.00 N ATOM 1190 NH2 ARG A 76 -5.835 -9.610 -11.819 1.00 0.00 N ATOM 0 H ARG A 76 -1.397 -5.079 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.798 -5.483 -10.602 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.423 -7.025 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.765 -5.950 -8.314 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.656 -7.686 -9.742 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.507 -6.265 -10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.784 -7.174 -12.020 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.059 -7.984 -10.645 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.253 -9.947 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.917 -7.986 -13.774 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.617 -8.421 -13.983 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.828 -10.076 -10.912 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -6.688 -9.594 -12.377 1.00 0.00 H new ATOM 1204 N LEU A 77 -4.219 -3.692 -9.235 1.00 0.00 N ATOM 1205 CA LEU A 77 -5.197 -2.609 -9.556 1.00 0.00 C ATOM 1206 C LEU A 77 -4.446 -1.327 -9.940 1.00 0.00 C ATOM 1207 O LEU A 77 -4.966 -0.489 -10.647 1.00 0.00 O ATOM 1208 CB LEU A 77 -6.112 -2.347 -8.347 1.00 0.00 C ATOM 1209 CG LEU A 77 -6.388 -3.663 -7.602 1.00 0.00 C ATOM 1210 CD1 LEU A 77 -7.345 -3.406 -6.434 1.00 0.00 C ATOM 1211 CD2 LEU A 77 -7.022 -4.674 -8.566 1.00 0.00 C ATOM 0 H LEU A 77 -4.348 -4.135 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.813 -2.924 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.642 -1.630 -7.674 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.051 -1.904 -8.680 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.449 -4.062 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.538 -4.342 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.896 -2.690 -5.746 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.284 -3.004 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.218 -5.607 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.959 -4.272 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.340 -4.863 -9.395 1.00 0.00 H new ATOM 1223 N LEU A 78 -3.222 -1.180 -9.499 1.00 0.00 N ATOM 1224 CA LEU A 78 -2.435 0.037 -9.862 1.00 0.00 C ATOM 1225 C LEU A 78 -2.100 -0.026 -11.356 1.00 0.00 C ATOM 1226 O LEU A 78 -2.608 0.742 -12.149 1.00 0.00 O ATOM 1227 CB LEU A 78 -1.141 0.075 -9.038 1.00 0.00 C ATOM 1228 CG LEU A 78 -0.181 1.139 -9.590 1.00 0.00 C ATOM 1229 CD1 LEU A 78 -0.635 2.530 -9.141 1.00 0.00 C ATOM 1230 CD2 LEU A 78 1.232 0.869 -9.060 1.00 0.00 C ATOM 0 H LEU A 78 -2.734 -1.850 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.014 0.936 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.373 0.293 -7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.660 -0.903 -9.060 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.181 1.096 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.050 3.281 -9.535 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.640 2.723 -9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.638 2.578 -8.052 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.917 1.622 -9.450 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.226 0.912 -7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.559 -0.120 -9.382 1.00 0.00 H new ATOM 1242 N GLU A 79 -1.232 -0.932 -11.732 1.00 0.00 N ATOM 1243 CA GLU A 79 -0.835 -1.058 -13.167 1.00 0.00 C ATOM 1244 C GLU A 79 -2.087 -1.067 -14.053 1.00 0.00 C ATOM 1245 O GLU A 79 -2.054 -0.632 -15.187 1.00 0.00 O ATOM 1246 CB GLU A 79 -0.051 -2.360 -13.371 1.00 0.00 C ATOM 1247 CG GLU A 79 1.083 -2.131 -14.375 1.00 0.00 C ATOM 1248 CD GLU A 79 0.507 -2.025 -15.791 1.00 0.00 C ATOM 1249 OE1 GLU A 79 0.086 -3.043 -16.317 1.00 0.00 O ATOM 1250 OE2 GLU A 79 0.494 -0.928 -16.324 1.00 0.00 O ATOM 0 H GLU A 79 -0.779 -1.594 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.207 -0.210 -13.442 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.357 -2.703 -12.420 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.717 -3.143 -13.733 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.625 -1.220 -14.124 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.798 -2.952 -14.324 1.00 0.00 H new ATOM 1257 N ALA A 80 -3.197 -1.541 -13.541 1.00 0.00 N ATOM 1258 CA ALA A 80 -4.445 -1.548 -14.356 1.00 0.00 C ATOM 1259 C ALA A 80 -5.074 -0.153 -14.292 1.00 0.00 C ATOM 1260 O ALA A 80 -5.143 0.549 -15.282 1.00 0.00 O ATOM 1261 CB ALA A 80 -5.422 -2.581 -13.785 1.00 0.00 C ATOM 0 H ALA A 80 -3.290 -1.921 -12.599 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.218 -1.808 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.335 -2.587 -14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.964 -3.570 -13.814 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.663 -2.323 -12.754 1.00 0.00 H new ATOM 1267 N ARG A 81 -5.527 0.247 -13.128 1.00 0.00 N ATOM 1268 CA ARG A 81 -6.148 1.600 -12.976 1.00 0.00 C ATOM 1269 C ARG A 81 -5.292 2.630 -13.717 1.00 0.00 C ATOM 1270 O ARG A 81 -5.782 3.386 -14.534 1.00 0.00 O ATOM 1271 CB ARG A 81 -6.224 1.964 -11.488 1.00 0.00 C ATOM 1272 CG ARG A 81 -6.952 3.304 -11.316 1.00 0.00 C ATOM 1273 CD ARG A 81 -5.934 4.432 -11.108 1.00 0.00 C ATOM 1274 NE ARG A 81 -5.941 5.334 -12.295 1.00 0.00 N ATOM 1275 CZ ARG A 81 -6.885 6.226 -12.431 1.00 0.00 C ATOM 1276 NH1 ARG A 81 -6.797 7.369 -11.807 1.00 0.00 N ATOM 1277 NH2 ARG A 81 -7.915 5.975 -13.191 1.00 0.00 N ATOM 0 H ARG A 81 -5.493 -0.308 -12.273 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.154 1.593 -13.394 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.749 1.182 -10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.220 2.029 -11.069 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -7.562 3.511 -12.195 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.629 3.252 -10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.179 4.996 -10.208 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -4.938 4.015 -10.961 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.209 5.254 -13.001 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.991 7.565 -11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.534 8.066 -11.913 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.983 5.082 -13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -8.652 6.672 -13.297 1.00 0.00 H new ATOM 1291 N THR A 82 -4.011 2.645 -13.452 1.00 0.00 N ATOM 1292 CA THR A 82 -3.111 3.602 -14.155 1.00 0.00 C ATOM 1293 C THR A 82 -3.074 3.231 -15.637 1.00 0.00 C ATOM 1294 O THR A 82 -3.331 4.047 -16.502 1.00 0.00 O ATOM 1295 CB THR A 82 -1.699 3.499 -13.566 1.00 0.00 C ATOM 1296 OG1 THR A 82 -1.770 3.618 -12.152 1.00 0.00 O ATOM 1297 CG2 THR A 82 -0.817 4.616 -14.129 1.00 0.00 C ATOM 0 H THR A 82 -3.551 2.034 -12.778 1.00 0.00 H new ATOM 0 HA THR A 82 -3.476 4.622 -14.033 1.00 0.00 H new ATOM 0 HB THR A 82 -1.267 2.534 -13.832 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.988 2.746 -11.761 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.185 4.537 -13.706 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.761 4.524 -15.214 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.245 5.584 -13.869 1.00 0.00 H new ATOM 1305 N GLY A 83 -2.758 1.999 -15.927 1.00 0.00 N ATOM 1306 CA GLY A 83 -2.700 1.546 -17.344 1.00 0.00 C ATOM 1307 C GLY A 83 -1.298 1.790 -17.902 1.00 0.00 C ATOM 1308 O GLY A 83 -1.090 1.780 -19.100 1.00 0.00 O ATOM 0 H GLY A 83 -2.536 1.282 -15.237 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.949 0.487 -17.408 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.438 2.084 -17.939 1.00 0.00 H new ATOM 1312 N LYS A 84 -0.331 2.000 -17.044 1.00 0.00 N ATOM 1313 CA LYS A 84 1.064 2.234 -17.521 1.00 0.00 C ATOM 1314 C LYS A 84 2.034 1.560 -16.546 1.00 0.00 C ATOM 1315 O LYS A 84 1.758 1.448 -15.367 1.00 0.00 O ATOM 1316 CB LYS A 84 1.344 3.740 -17.568 1.00 0.00 C ATOM 1317 CG LYS A 84 2.811 3.981 -17.944 1.00 0.00 C ATOM 1318 CD LYS A 84 2.988 5.420 -18.445 1.00 0.00 C ATOM 1319 CE LYS A 84 3.196 5.416 -19.962 1.00 0.00 C ATOM 1320 NZ LYS A 84 3.592 6.780 -20.413 1.00 0.00 N ATOM 0 H LYS A 84 -0.449 2.019 -16.031 1.00 0.00 H new ATOM 0 HA LYS A 84 1.192 1.817 -18.520 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.689 4.219 -18.295 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.128 4.190 -16.599 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.451 3.806 -17.080 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.119 3.276 -18.717 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.111 6.015 -18.190 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.842 5.884 -17.952 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.967 4.694 -20.232 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.279 5.107 -20.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.733 6.778 -21.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.842 7.458 -20.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.477 7.058 -19.943 1.00 0.00 H new ATOM 1334 N LYS A 85 3.163 1.107 -17.029 1.00 0.00 N ATOM 1335 CA LYS A 85 4.147 0.433 -16.129 1.00 0.00 C ATOM 1336 C LYS A 85 4.603 1.407 -15.036 1.00 0.00 C ATOM 1337 O LYS A 85 5.495 2.211 -15.236 1.00 0.00 O ATOM 1338 CB LYS A 85 5.361 -0.036 -16.944 1.00 0.00 C ATOM 1339 CG LYS A 85 5.718 1.006 -18.012 1.00 0.00 C ATOM 1340 CD LYS A 85 7.101 0.696 -18.594 1.00 0.00 C ATOM 1341 CE LYS A 85 7.049 -0.620 -19.376 1.00 0.00 C ATOM 1342 NZ LYS A 85 8.079 -0.598 -20.454 1.00 0.00 N ATOM 0 H LYS A 85 3.446 1.175 -18.007 1.00 0.00 H new ATOM 0 HA LYS A 85 3.672 -0.431 -15.664 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.212 -0.195 -16.282 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.142 -0.993 -17.418 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.970 1.000 -18.804 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.712 2.005 -17.576 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.421 1.507 -19.249 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.836 0.625 -17.792 1.00 0.00 H new ATOM 0 HE2 LYS A 85 7.226 -1.461 -18.706 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.058 -0.760 -19.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 8.044 -1.491 -20.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.890 0.196 -21.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.022 -0.483 -20.031 1.00 0.00 H new ATOM 1356 N ALA A 86 3.991 1.341 -13.881 1.00 0.00 N ATOM 1357 CA ALA A 86 4.375 2.256 -12.766 1.00 0.00 C ATOM 1358 C ALA A 86 5.853 2.052 -12.425 1.00 0.00 C ATOM 1359 O ALA A 86 6.572 2.995 -12.154 1.00 0.00 O ATOM 1360 CB ALA A 86 3.518 1.947 -11.536 1.00 0.00 C ATOM 0 H ALA A 86 3.238 0.689 -13.662 1.00 0.00 H new ATOM 0 HA ALA A 86 4.213 3.290 -13.071 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.797 2.615 -10.721 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.466 2.093 -11.780 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.680 0.913 -11.230 1.00 0.00 H new ATOM 1366 N GLU A 87 6.311 0.827 -12.439 1.00 0.00 N ATOM 1367 CA GLU A 87 7.743 0.554 -12.119 1.00 0.00 C ATOM 1368 C GLU A 87 8.637 1.249 -13.149 1.00 0.00 C ATOM 1369 O GLU A 87 9.743 1.650 -12.847 1.00 0.00 O ATOM 1370 CB GLU A 87 7.999 -0.957 -12.160 1.00 0.00 C ATOM 1371 CG GLU A 87 7.112 -1.662 -11.128 1.00 0.00 C ATOM 1372 CD GLU A 87 5.794 -2.087 -11.782 1.00 0.00 C ATOM 1373 OE1 GLU A 87 5.809 -3.058 -12.521 1.00 0.00 O ATOM 1374 OE2 GLU A 87 4.793 -1.436 -11.533 1.00 0.00 O ATOM 0 H GLU A 87 5.753 0.002 -12.659 1.00 0.00 H new ATOM 0 HA GLU A 87 7.970 0.934 -11.123 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.790 -1.344 -13.157 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.049 -1.163 -11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.628 -2.535 -10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.914 -0.995 -10.289 1.00 0.00 H new ATOM 1381 N GLU A 88 8.158 1.392 -14.361 1.00 0.00 N ATOM 1382 CA GLU A 88 8.965 2.062 -15.426 1.00 0.00 C ATOM 1383 C GLU A 88 10.322 1.359 -15.569 1.00 0.00 C ATOM 1384 O GLU A 88 10.444 0.370 -16.264 1.00 0.00 O ATOM 1385 CB GLU A 88 9.168 3.539 -15.061 1.00 0.00 C ATOM 1386 CG GLU A 88 9.822 4.279 -16.233 1.00 0.00 C ATOM 1387 CD GLU A 88 10.497 5.554 -15.720 1.00 0.00 C ATOM 1388 OE1 GLU A 88 9.835 6.578 -15.684 1.00 0.00 O ATOM 1389 OE2 GLU A 88 11.665 5.483 -15.373 1.00 0.00 O ATOM 0 H GLU A 88 7.237 1.071 -14.659 1.00 0.00 H new ATOM 0 HA GLU A 88 8.436 2.000 -16.377 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.210 3.998 -14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.794 3.621 -14.173 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.556 3.636 -16.718 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.072 4.529 -16.983 1.00 0.00 H new ATOM 1396 N LEU A 89 11.343 1.875 -14.928 1.00 0.00 N ATOM 1397 CA LEU A 89 12.700 1.257 -15.024 1.00 0.00 C ATOM 1398 C LEU A 89 12.652 -0.224 -14.621 1.00 0.00 C ATOM 1399 O LEU A 89 13.604 -0.953 -14.817 1.00 0.00 O ATOM 1400 CB LEU A 89 13.659 2.006 -14.092 1.00 0.00 C ATOM 1401 CG LEU A 89 15.100 1.844 -14.589 1.00 0.00 C ATOM 1402 CD1 LEU A 89 15.508 3.076 -15.401 1.00 0.00 C ATOM 1403 CD2 LEU A 89 16.041 1.691 -13.390 1.00 0.00 C ATOM 0 H LEU A 89 11.292 2.705 -14.338 1.00 0.00 H new ATOM 0 HA LEU A 89 13.046 1.326 -16.055 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.394 3.063 -14.056 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.569 1.620 -13.077 1.00 0.00 H new ATOM 0 HG LEU A 89 15.165 0.957 -15.220 1.00 0.00 H new ATOM 0 HD11 LEU A 89 16.533 2.957 -15.752 1.00 0.00 H new ATOM 0 HD12 LEU A 89 14.841 3.185 -16.256 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.441 3.964 -14.773 1.00 0.00 H new ATOM 0 HD21 LEU A 89 17.065 1.576 -13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 89 15.973 2.577 -12.758 1.00 0.00 H new ATOM 0 HD23 LEU A 89 15.755 0.811 -12.813 1.00 0.00 H new ATOM 1415 N VAL A 90 11.552 -0.670 -14.062 1.00 0.00 N ATOM 1416 CA VAL A 90 11.429 -2.104 -13.644 1.00 0.00 C ATOM 1417 C VAL A 90 12.434 -2.407 -12.527 1.00 0.00 C ATOM 1418 O VAL A 90 13.617 -2.563 -12.763 1.00 0.00 O ATOM 1419 CB VAL A 90 11.688 -3.029 -14.845 1.00 0.00 C ATOM 1420 CG1 VAL A 90 11.328 -4.469 -14.469 1.00 0.00 C ATOM 1421 CG2 VAL A 90 10.824 -2.584 -16.031 1.00 0.00 C ATOM 0 H VAL A 90 10.728 -0.098 -13.876 1.00 0.00 H new ATOM 0 HA VAL A 90 10.419 -2.280 -13.275 1.00 0.00 H new ATOM 0 HB VAL A 90 12.741 -2.976 -15.121 1.00 0.00 H new ATOM 0 HG11 VAL A 90 11.512 -5.124 -15.321 1.00 0.00 H new ATOM 0 HG12 VAL A 90 11.941 -4.789 -13.626 1.00 0.00 H new ATOM 0 HG13 VAL A 90 10.275 -4.520 -14.192 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.008 -3.240 -16.882 1.00 0.00 H new ATOM 0 HG22 VAL A 90 9.771 -2.636 -15.754 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.078 -1.559 -16.302 1.00 0.00 H new ATOM 1431 N GLY A 91 11.965 -2.492 -11.308 1.00 0.00 N ATOM 1432 CA GLY A 91 12.878 -2.786 -10.165 1.00 0.00 C ATOM 1433 C GLY A 91 12.083 -3.453 -9.039 1.00 0.00 C ATOM 1434 O GLY A 91 12.502 -4.448 -8.479 1.00 0.00 O ATOM 0 H GLY A 91 10.984 -2.370 -11.055 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.687 -3.439 -10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 91 13.337 -1.865 -9.805 1.00 0.00 H new ATOM 1438 N SER A 92 10.938 -2.908 -8.709 1.00 0.00 N ATOM 1439 CA SER A 92 10.096 -3.495 -7.621 1.00 0.00 C ATOM 1440 C SER A 92 10.936 -3.677 -6.352 1.00 0.00 C ATOM 1441 O SER A 92 10.789 -2.875 -5.446 1.00 0.00 O ATOM 1442 CB SER A 92 9.537 -4.851 -8.074 1.00 0.00 C ATOM 1443 OG SER A 92 10.480 -5.877 -7.787 1.00 0.00 O ATOM 0 H SER A 92 10.548 -2.075 -9.150 1.00 0.00 H new ATOM 0 HA SER A 92 9.268 -2.819 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.595 -5.056 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.323 -4.829 -9.143 1.00 0.00 H new ATOM 0 HG SER A 92 11.317 -5.695 -8.264 1.00 0.00 H new TER 1449 SER A 92