USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 578 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 Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.895 USER MOD Single : A 31 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.7) USER MOD Single : A 33 SER OG : rot 63:sc= 1.25 USER MOD Single : A 36 TYR OH : rot 30:sc= -0.438 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 1.28 (180deg=1.18) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.777 K(o=-0.78,f=-0.1) USER MOD Single : A 62 ASN : amide:sc= 0.383 X(o=0.38,f=0) USER MOD Single : A 69 ASN : amide:sc= 0.875 K(o=0.87,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 75 SER OG : rot 170:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.537 K(o=-0.54,f=-0.0045) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 13.802 -8.038 -4.562 1.00 0.00 N ATOM 2 CA LEU A 14 14.897 -7.911 -5.541 1.00 0.00 C ATOM 3 C LEU A 14 15.476 -6.516 -5.432 1.00 0.00 C ATOM 4 O LEU A 14 16.476 -6.322 -4.744 1.00 0.00 O ATOM 5 CB LEU A 14 14.461 -8.250 -6.982 1.00 0.00 C ATOM 6 CG LEU A 14 14.861 -9.690 -7.329 1.00 0.00 C ATOM 7 CD1 LEU A 14 13.996 -10.248 -8.455 1.00 0.00 C ATOM 8 CD2 LEU A 14 16.338 -9.726 -7.749 1.00 0.00 C ATOM 0 HA LEU A 14 15.666 -8.647 -5.305 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.382 -8.130 -7.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 14.925 -7.556 -7.683 1.00 0.00 H new ATOM 0 HG LEU A 14 14.710 -10.309 -6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 14 14.304 -11.270 -8.678 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.950 -10.243 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 14 14.115 -9.631 -9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 14 16.621 -10.749 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.484 -9.089 -8.621 1.00 0.00 H new ATOM 0 HD23 LEU A 14 16.958 -9.365 -6.929 1.00 0.00 H new ATOM 20 N LEU A 15 14.826 -5.548 -6.080 1.00 0.00 N ATOM 21 CA LEU A 15 14.986 -4.131 -5.793 1.00 0.00 C ATOM 22 C LEU A 15 14.341 -3.869 -4.432 1.00 0.00 C ATOM 23 O LEU A 15 13.658 -4.747 -3.890 1.00 0.00 O ATOM 24 CB LEU A 15 14.264 -3.308 -6.873 1.00 0.00 C ATOM 25 CG LEU A 15 14.728 -3.612 -8.314 1.00 0.00 C ATOM 26 CD1 LEU A 15 13.523 -3.613 -9.254 1.00 0.00 C ATOM 27 CD2 LEU A 15 15.761 -2.599 -8.787 1.00 0.00 C ATOM 0 H LEU A 15 14.163 -5.736 -6.832 1.00 0.00 H new ATOM 0 HA LEU A 15 16.039 -3.850 -5.783 1.00 0.00 H new ATOM 0 HB2 LEU A 15 13.193 -3.495 -6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.417 -2.248 -6.670 1.00 0.00 H new ATOM 0 HG LEU A 15 15.197 -4.596 -8.322 1.00 0.00 H new ATOM 0 HD11 LEU A 15 13.854 -3.828 -10.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.813 -4.376 -8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.041 -2.636 -9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 15 16.068 -2.840 -9.805 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.327 -1.600 -8.766 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.630 -2.631 -8.129 1.00 0.00 H new ATOM 39 N ASP A 16 14.455 -2.640 -3.931 1.00 0.00 N ATOM 40 CA ASP A 16 13.931 -2.244 -2.619 1.00 0.00 C ATOM 41 C ASP A 16 12.778 -1.238 -2.711 1.00 0.00 C ATOM 42 O ASP A 16 12.355 -0.652 -1.717 1.00 0.00 O ATOM 43 CB ASP A 16 15.088 -1.768 -1.718 1.00 0.00 C ATOM 44 CG ASP A 16 14.957 -2.234 -0.263 1.00 0.00 C ATOM 45 OD1 ASP A 16 14.123 -3.130 0.004 1.00 0.00 O ATOM 46 OD2 ASP A 16 15.833 -1.835 0.543 1.00 0.00 O ATOM 0 H ASP A 16 14.919 -1.880 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 16 13.483 -3.121 -2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.030 -2.134 -2.126 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.132 -0.679 -1.741 1.00 0.00 H new ATOM 51 N SER A 17 12.240 -1.061 -3.922 1.00 0.00 N ATOM 52 CA SER A 17 11.154 -0.144 -4.246 1.00 0.00 C ATOM 53 C SER A 17 9.901 -0.377 -3.399 1.00 0.00 C ATOM 54 O SER A 17 9.176 0.570 -3.094 1.00 0.00 O ATOM 55 CB SER A 17 10.839 -0.254 -5.745 1.00 0.00 C ATOM 56 OG SER A 17 10.615 -1.589 -6.186 1.00 0.00 O ATOM 0 H SER A 17 12.568 -1.579 -4.737 1.00 0.00 H new ATOM 0 HA SER A 17 11.485 0.867 -4.008 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.956 0.345 -5.967 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.665 0.173 -6.313 1.00 0.00 H new ATOM 0 HG SER A 17 10.419 -1.588 -7.146 1.00 0.00 H new ATOM 62 N TYR A 18 9.651 -1.621 -2.987 1.00 0.00 N ATOM 63 CA TYR A 18 8.510 -1.944 -2.151 1.00 0.00 C ATOM 64 C TYR A 18 8.580 -1.169 -0.842 1.00 0.00 C ATOM 65 O TYR A 18 7.583 -0.566 -0.442 1.00 0.00 O ATOM 66 CB TYR A 18 8.466 -3.449 -1.874 1.00 0.00 C ATOM 67 CG TYR A 18 8.228 -4.309 -3.097 1.00 0.00 C ATOM 68 CD1 TYR A 18 7.038 -4.159 -3.830 1.00 0.00 C ATOM 69 CD2 TYR A 18 9.172 -5.279 -3.484 1.00 0.00 C ATOM 70 CE1 TYR A 18 6.787 -4.963 -4.950 1.00 0.00 C ATOM 71 CE2 TYR A 18 8.942 -6.067 -4.628 1.00 0.00 C ATOM 72 CZ TYR A 18 7.754 -5.898 -5.379 1.00 0.00 C ATOM 73 OH TYR A 18 7.562 -6.622 -6.516 1.00 0.00 O ATOM 0 H TYR A 18 10.234 -2.423 -3.225 1.00 0.00 H new ATOM 0 HA TYR A 18 7.599 -1.659 -2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.408 -3.748 -1.414 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.679 -3.648 -1.147 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.312 -3.419 -3.528 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.072 -5.419 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.854 -4.867 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.673 -6.801 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 18 8.329 -7.215 -6.659 1.00 0.00 H new ATOM 83 N GLU A 19 9.743 -1.148 -0.187 1.00 0.00 N ATOM 84 CA GLU A 19 9.899 -0.503 1.111 1.00 0.00 C ATOM 85 C GLU A 19 9.800 1.022 0.981 1.00 0.00 C ATOM 86 O GLU A 19 9.464 1.694 1.958 1.00 0.00 O ATOM 87 CB GLU A 19 11.208 -0.943 1.789 1.00 0.00 C ATOM 88 CG GLU A 19 11.229 -2.471 2.028 1.00 0.00 C ATOM 89 CD GLU A 19 11.607 -2.928 3.437 1.00 0.00 C ATOM 90 OE1 GLU A 19 11.224 -2.257 4.425 1.00 0.00 O ATOM 91 OE2 GLU A 19 12.071 -4.083 3.602 1.00 0.00 O ATOM 0 H GLU A 19 10.597 -1.577 -0.543 1.00 0.00 H new ATOM 0 HA GLU A 19 9.080 -0.823 1.755 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.056 -0.658 1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.321 -0.422 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.242 -2.868 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.930 -2.919 1.323 1.00 0.00 H new ATOM 98 N ALA A 20 10.032 1.586 -0.212 1.00 0.00 N ATOM 99 CA ALA A 20 9.745 2.987 -0.500 1.00 0.00 C ATOM 100 C ALA A 20 8.237 3.247 -0.513 1.00 0.00 C ATOM 101 O ALA A 20 7.762 4.175 0.147 1.00 0.00 O ATOM 102 CB ALA A 20 10.396 3.408 -1.826 1.00 0.00 C ATOM 0 H ALA A 20 10.425 1.077 -1.003 1.00 0.00 H new ATOM 0 HA ALA A 20 10.175 3.596 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.172 4.456 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.476 3.274 -1.760 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.003 2.793 -2.636 1.00 0.00 H new ATOM 108 N ILE A 21 7.491 2.432 -1.253 1.00 0.00 N ATOM 109 CA ILE A 21 6.049 2.560 -1.421 1.00 0.00 C ATOM 110 C ILE A 21 5.343 2.357 -0.075 1.00 0.00 C ATOM 111 O ILE A 21 4.498 3.177 0.277 1.00 0.00 O ATOM 112 CB ILE A 21 5.581 1.521 -2.446 1.00 0.00 C ATOM 113 CG1 ILE A 21 6.173 1.773 -3.854 1.00 0.00 C ATOM 114 CG2 ILE A 21 4.045 1.459 -2.533 1.00 0.00 C ATOM 115 CD1 ILE A 21 6.133 0.547 -4.777 1.00 0.00 C ATOM 0 H ILE A 21 7.885 1.643 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 21 5.800 3.558 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 21 5.953 0.560 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.625 2.589 -4.326 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.207 2.102 -3.749 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.752 0.711 -3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.636 1.189 -1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.658 2.433 -2.831 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.566 0.805 -5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.705 -0.265 -4.328 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.100 0.229 -4.915 1.00 0.00 H new ATOM 127 N LEU A 22 5.675 1.287 0.670 1.00 0.00 N ATOM 128 CA LEU A 22 5.058 0.862 1.918 1.00 0.00 C ATOM 129 C LEU A 22 4.821 2.015 2.872 1.00 0.00 C ATOM 130 O LEU A 22 3.771 2.080 3.509 1.00 0.00 O ATOM 131 CB LEU A 22 5.994 -0.165 2.583 1.00 0.00 C ATOM 132 CG LEU A 22 5.472 -1.596 2.481 1.00 0.00 C ATOM 133 CD1 LEU A 22 5.295 -2.132 1.069 1.00 0.00 C ATOM 134 CD2 LEU A 22 6.371 -2.569 3.241 1.00 0.00 C ATOM 0 H LEU A 22 6.431 0.663 0.389 1.00 0.00 H new ATOM 0 HA LEU A 22 4.083 0.432 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.978 -0.108 2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.123 0.095 3.633 1.00 0.00 H new ATOM 0 HG LEU A 22 4.479 -1.532 2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.920 -3.155 1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.583 -1.507 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.254 -2.119 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.973 -3.580 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.377 -2.536 2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.405 -2.287 4.293 1.00 0.00 H new ATOM 146 N SER A 23 5.771 2.947 2.910 1.00 0.00 N ATOM 147 CA SER A 23 5.708 4.093 3.805 1.00 0.00 C ATOM 148 C SER A 23 4.436 4.923 3.590 1.00 0.00 C ATOM 149 O SER A 23 3.829 5.388 4.556 1.00 0.00 O ATOM 150 CB SER A 23 6.955 4.929 3.562 1.00 0.00 C ATOM 151 OG SER A 23 8.109 4.138 3.740 1.00 0.00 O ATOM 0 H SER A 23 6.603 2.926 2.321 1.00 0.00 H new ATOM 0 HA SER A 23 5.670 3.750 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.937 5.338 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.975 5.775 4.249 1.00 0.00 H new ATOM 0 HG SER A 23 8.907 4.683 3.580 1.00 0.00 H new ATOM 157 N GLY A 24 3.995 5.083 2.337 1.00 0.00 N ATOM 158 CA GLY A 24 2.758 5.778 2.023 1.00 0.00 C ATOM 159 C GLY A 24 1.534 4.888 2.232 1.00 0.00 C ATOM 160 O GLY A 24 0.452 5.416 2.473 1.00 0.00 O ATOM 0 H GLY A 24 4.491 4.732 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.672 6.666 2.649 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.786 6.119 0.988 1.00 0.00 H new ATOM 164 N ILE A 25 1.663 3.559 2.140 1.00 0.00 N ATOM 165 CA ILE A 25 0.542 2.622 2.278 1.00 0.00 C ATOM 166 C ILE A 25 0.020 2.630 3.712 1.00 0.00 C ATOM 167 O ILE A 25 -1.183 2.505 3.919 1.00 0.00 O ATOM 168 CB ILE A 25 0.947 1.187 1.875 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.672 1.112 0.519 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.261 0.227 1.851 1.00 0.00 C ATOM 171 CD1 ILE A 25 0.992 1.865 -0.613 1.00 0.00 C ATOM 0 H ILE A 25 2.557 3.100 1.966 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.248 2.951 1.603 1.00 0.00 H new ATOM 0 HB ILE A 25 1.647 0.872 2.649 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.682 1.504 0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.769 0.065 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.072 -0.770 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.713 0.186 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.997 0.586 1.131 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.576 1.754 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.008 1.460 -0.770 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.919 2.922 -0.355 1.00 0.00 H new ATOM 183 N GLU A 26 0.916 2.790 4.681 1.00 0.00 N ATOM 184 CA GLU A 26 0.616 2.890 6.102 1.00 0.00 C ATOM 185 C GLU A 26 -0.377 4.038 6.322 1.00 0.00 C ATOM 186 O GLU A 26 -1.490 3.807 6.803 1.00 0.00 O ATOM 187 CB GLU A 26 1.981 2.982 6.802 1.00 0.00 C ATOM 188 CG GLU A 26 2.064 2.760 8.320 1.00 0.00 C ATOM 189 CD GLU A 26 3.491 2.302 8.690 1.00 0.00 C ATOM 190 OE1 GLU A 26 4.464 2.893 8.160 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.671 1.264 9.375 1.00 0.00 O ATOM 0 H GLU A 26 1.915 2.856 4.486 1.00 0.00 H new ATOM 0 HA GLU A 26 0.099 2.035 6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.642 2.256 6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.391 3.970 6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.817 3.681 8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.337 2.010 8.630 1.00 0.00 H new ATOM 198 N GLU A 27 -0.041 5.227 5.811 1.00 0.00 N ATOM 199 CA GLU A 27 -0.930 6.386 5.836 1.00 0.00 C ATOM 200 C GLU A 27 -2.153 6.198 4.928 1.00 0.00 C ATOM 201 O GLU A 27 -3.203 6.788 5.187 1.00 0.00 O ATOM 202 CB GLU A 27 -0.163 7.658 5.413 1.00 0.00 C ATOM 203 CG GLU A 27 0.389 8.475 6.593 1.00 0.00 C ATOM 204 CD GLU A 27 -0.694 8.978 7.564 1.00 0.00 C ATOM 205 OE1 GLU A 27 -1.893 9.023 7.199 1.00 0.00 O ATOM 206 OE2 GLU A 27 -0.357 9.311 8.727 1.00 0.00 O ATOM 0 H GLU A 27 0.859 5.410 5.368 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.288 6.493 6.860 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.664 7.372 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.827 8.291 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.102 7.862 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.940 9.331 6.203 1.00 0.00 H new ATOM 213 N THR A 28 -2.053 5.420 3.843 1.00 0.00 N ATOM 214 CA THR A 28 -3.182 5.184 2.954 1.00 0.00 C ATOM 215 C THR A 28 -4.251 4.418 3.707 1.00 0.00 C ATOM 216 O THR A 28 -5.404 4.822 3.716 1.00 0.00 O ATOM 217 CB THR A 28 -2.774 4.401 1.694 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.711 5.026 1.024 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.909 4.237 0.677 1.00 0.00 C ATOM 0 H THR A 28 -1.195 4.944 3.564 1.00 0.00 H new ATOM 0 HA THR A 28 -3.562 6.152 2.627 1.00 0.00 H new ATOM 0 HB THR A 28 -2.486 3.418 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.891 4.932 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.547 3.675 -0.184 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.737 3.699 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.251 5.220 0.352 1.00 0.00 H new ATOM 227 N PHE A 29 -3.891 3.290 4.306 1.00 0.00 N ATOM 228 CA PHE A 29 -4.849 2.422 4.952 1.00 0.00 C ATOM 229 C PHE A 29 -5.583 3.226 6.038 1.00 0.00 C ATOM 230 O PHE A 29 -6.818 3.302 6.031 1.00 0.00 O ATOM 231 CB PHE A 29 -4.098 1.168 5.441 1.00 0.00 C ATOM 232 CG PHE A 29 -3.916 0.033 4.427 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.880 0.244 3.033 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.807 -1.285 4.904 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.770 -0.851 2.151 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.696 -2.380 4.030 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.683 -2.168 2.643 1.00 0.00 C ATOM 0 H PHE A 29 -2.928 2.958 4.354 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.630 2.062 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.111 1.476 5.787 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.629 0.769 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.937 1.248 2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.809 -1.461 5.970 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.752 -0.678 1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.621 -3.382 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.607 -3.003 1.962 1.00 0.00 H new ATOM 247 N ALA A 30 -4.836 3.918 6.899 1.00 0.00 N ATOM 248 CA ALA A 30 -5.403 4.695 7.990 1.00 0.00 C ATOM 249 C ALA A 30 -6.307 5.852 7.544 1.00 0.00 C ATOM 250 O ALA A 30 -7.274 6.149 8.251 1.00 0.00 O ATOM 251 CB ALA A 30 -4.255 5.222 8.840 1.00 0.00 C ATOM 0 H ALA A 30 -3.818 3.952 6.855 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.055 4.030 8.557 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.654 5.809 9.667 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.680 4.384 9.234 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.608 5.850 8.228 1.00 0.00 H new ATOM 257 N GLN A 31 -6.048 6.474 6.388 1.00 0.00 N ATOM 258 CA GLN A 31 -6.825 7.578 5.823 1.00 0.00 C ATOM 259 C GLN A 31 -8.268 7.210 5.515 1.00 0.00 C ATOM 260 O GLN A 31 -9.124 8.091 5.447 1.00 0.00 O ATOM 261 CB GLN A 31 -6.161 8.002 4.506 1.00 0.00 C ATOM 262 CG GLN A 31 -5.342 9.281 4.730 1.00 0.00 C ATOM 263 CD GLN A 31 -4.462 9.725 3.571 1.00 0.00 C ATOM 264 OE1 GLN A 31 -4.840 10.552 2.747 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.241 9.222 3.508 1.00 0.00 N ATOM 0 H GLN A 31 -5.259 6.210 5.798 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.841 8.373 6.568 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.515 7.204 4.139 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.920 8.173 3.743 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.031 10.092 4.968 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.709 9.134 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.936 8.535 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.604 9.521 2.770 1.00 0.00 H new ATOM 274 N PHE A 32 -8.538 5.930 5.279 1.00 0.00 N ATOM 275 CA PHE A 32 -9.865 5.461 4.980 1.00 0.00 C ATOM 276 C PHE A 32 -10.432 5.002 6.302 1.00 0.00 C ATOM 277 O PHE A 32 -11.333 5.645 6.843 1.00 0.00 O ATOM 278 CB PHE A 32 -9.781 4.376 3.902 1.00 0.00 C ATOM 279 CG PHE A 32 -9.552 5.005 2.545 1.00 0.00 C ATOM 280 CD1 PHE A 32 -10.650 5.449 1.790 1.00 0.00 C ATOM 281 CD2 PHE A 32 -8.246 5.240 2.078 1.00 0.00 C ATOM 282 CE1 PHE A 32 -10.435 6.089 0.560 1.00 0.00 C ATOM 283 CE2 PHE A 32 -8.029 5.915 0.869 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.127 6.325 0.102 1.00 0.00 C ATOM 0 H PHE A 32 -7.832 5.194 5.292 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.528 6.218 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.970 3.686 4.133 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.702 3.793 3.890 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.655 5.298 2.155 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.402 4.897 2.657 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.278 6.402 -0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.023 6.117 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.968 6.823 -0.843 1.00 0.00 H new ATOM 294 N SER A 33 -9.859 3.904 6.800 1.00 0.00 N ATOM 295 CA SER A 33 -10.251 3.208 8.033 1.00 0.00 C ATOM 296 C SER A 33 -9.500 1.888 8.253 1.00 0.00 C ATOM 297 O SER A 33 -9.821 1.107 9.155 1.00 0.00 O ATOM 298 CB SER A 33 -11.763 2.928 8.003 1.00 0.00 C ATOM 299 OG SER A 33 -12.506 4.006 8.534 1.00 0.00 O ATOM 0 H SER A 33 -9.072 3.453 6.334 1.00 0.00 H new ATOM 0 HA SER A 33 -9.988 3.866 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.078 2.740 6.976 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.977 2.024 8.573 1.00 0.00 H new ATOM 0 HG SER A 33 -12.362 4.805 7.984 1.00 0.00 H new ATOM 305 N ILE A 34 -8.543 1.571 7.395 1.00 0.00 N ATOM 306 CA ILE A 34 -8.073 0.210 7.210 1.00 0.00 C ATOM 307 C ILE A 34 -6.939 -0.012 8.220 1.00 0.00 C ATOM 308 O ILE A 34 -6.067 0.850 8.340 1.00 0.00 O ATOM 309 CB ILE A 34 -7.606 0.020 5.753 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.708 0.308 4.704 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.041 -1.391 5.522 1.00 0.00 C ATOM 312 CD1 ILE A 34 -8.124 0.777 3.366 1.00 0.00 C ATOM 0 H ILE A 34 -8.069 2.255 6.805 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.860 -0.524 7.385 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.819 0.760 5.610 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.300 -0.593 4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -9.385 1.070 5.090 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.722 -1.490 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.188 -1.554 6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.812 -2.131 5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.934 0.967 2.662 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -7.554 1.694 3.519 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.468 0.005 2.965 1.00 0.00 H new ATOM 324 N PRO A 35 -6.877 -1.168 8.902 1.00 0.00 N ATOM 325 CA PRO A 35 -5.707 -1.546 9.674 1.00 0.00 C ATOM 326 C PRO A 35 -4.552 -1.856 8.727 1.00 0.00 C ATOM 327 O PRO A 35 -4.551 -2.879 8.029 1.00 0.00 O ATOM 328 CB PRO A 35 -6.123 -2.765 10.492 1.00 0.00 C ATOM 329 CG PRO A 35 -7.208 -3.410 9.632 1.00 0.00 C ATOM 330 CD PRO A 35 -7.877 -2.225 8.938 1.00 0.00 C ATOM 0 HA PRO A 35 -5.362 -0.751 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.286 -3.443 10.659 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.503 -2.481 11.473 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.784 -4.108 8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.919 -3.971 10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.199 -2.493 7.932 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.765 -1.904 9.482 1.00 0.00 H new ATOM 338 N TYR A 36 -3.554 -0.981 8.702 1.00 0.00 N ATOM 339 CA TYR A 36 -2.244 -1.364 8.212 1.00 0.00 C ATOM 340 C TYR A 36 -1.684 -2.426 9.149 1.00 0.00 C ATOM 341 O TYR A 36 -2.040 -2.503 10.328 1.00 0.00 O ATOM 342 CB TYR A 36 -1.331 -0.147 8.085 1.00 0.00 C ATOM 343 CG TYR A 36 -0.028 -0.454 7.370 1.00 0.00 C ATOM 344 CD1 TYR A 36 0.040 -0.486 5.960 1.00 0.00 C ATOM 345 CD2 TYR A 36 1.133 -0.680 8.131 1.00 0.00 C ATOM 346 CE1 TYR A 36 1.287 -0.670 5.329 1.00 0.00 C ATOM 347 CE2 TYR A 36 2.367 -0.901 7.504 1.00 0.00 C ATOM 348 CZ TYR A 36 2.452 -0.862 6.098 1.00 0.00 C ATOM 349 OH TYR A 36 3.652 -0.999 5.477 1.00 0.00 O ATOM 0 H TYR A 36 -3.629 -0.012 9.013 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.316 -1.784 7.209 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.858 0.641 7.546 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.110 0.240 9.080 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.857 -0.370 5.369 1.00 0.00 H new ATOM 0 HD2 TYR A 36 1.073 -0.683 9.209 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.350 -0.664 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.248 -1.100 8.096 1.00 0.00 H new ATOM 0 HH TYR A 36 3.644 -0.496 4.636 1.00 0.00 H new ATOM 359 N ASP A 37 -0.839 -3.282 8.598 1.00 0.00 N ATOM 360 CA ASP A 37 -0.181 -4.359 9.307 1.00 0.00 C ATOM 361 C ASP A 37 1.059 -4.650 8.473 1.00 0.00 C ATOM 362 O ASP A 37 0.942 -5.196 7.374 1.00 0.00 O ATOM 363 CB ASP A 37 -1.098 -5.594 9.405 1.00 0.00 C ATOM 364 CG ASP A 37 -1.348 -6.095 10.831 1.00 0.00 C ATOM 365 OD1 ASP A 37 -0.425 -6.052 11.676 1.00 0.00 O ATOM 366 OD2 ASP A 37 -2.458 -6.622 11.079 1.00 0.00 O ATOM 0 H ASP A 37 -0.586 -3.242 7.611 1.00 0.00 H new ATOM 0 HA ASP A 37 0.067 -4.097 10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.057 -5.355 8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.658 -6.403 8.822 1.00 0.00 H new ATOM 371 N LYS A 38 2.236 -4.221 8.934 1.00 0.00 N ATOM 372 CA LYS A 38 3.477 -4.280 8.157 1.00 0.00 C ATOM 373 C LYS A 38 3.679 -5.684 7.587 1.00 0.00 C ATOM 374 O LYS A 38 3.899 -5.787 6.385 1.00 0.00 O ATOM 375 CB LYS A 38 4.644 -3.795 9.039 1.00 0.00 C ATOM 376 CG LYS A 38 6.041 -3.859 8.397 1.00 0.00 C ATOM 377 CD LYS A 38 6.258 -3.058 7.106 1.00 0.00 C ATOM 378 CE LYS A 38 6.159 -1.538 7.268 1.00 0.00 C ATOM 379 NZ LYS A 38 7.420 -0.900 7.695 1.00 0.00 N ATOM 0 H LYS A 38 2.356 -3.820 9.864 1.00 0.00 H new ATOM 0 HA LYS A 38 3.427 -3.615 7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.447 -2.764 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.657 -4.391 9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.767 -3.515 9.134 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.269 -4.904 8.188 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.241 -3.303 6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.523 -3.379 6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.844 -1.101 6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.382 -1.310 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.277 0.126 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.712 -1.289 8.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.160 -1.087 6.989 1.00 0.00 H new ATOM 393 N GLU A 39 3.538 -6.736 8.400 1.00 0.00 N ATOM 394 CA GLU A 39 3.691 -8.131 8.002 1.00 0.00 C ATOM 395 C GLU A 39 2.730 -8.503 6.873 1.00 0.00 C ATOM 396 O GLU A 39 3.163 -8.944 5.808 1.00 0.00 O ATOM 397 CB GLU A 39 3.453 -9.017 9.241 1.00 0.00 C ATOM 398 CG GLU A 39 4.760 -9.481 9.897 1.00 0.00 C ATOM 399 CD GLU A 39 5.142 -10.898 9.445 1.00 0.00 C ATOM 400 OE1 GLU A 39 5.212 -11.158 8.224 1.00 0.00 O ATOM 401 OE2 GLU A 39 5.276 -11.814 10.291 1.00 0.00 O ATOM 0 H GLU A 39 3.306 -6.631 9.388 1.00 0.00 H new ATOM 0 HA GLU A 39 4.699 -8.288 7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.862 -8.463 9.970 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.867 -9.889 8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.562 -8.788 9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.652 -9.460 10.981 1.00 0.00 H new ATOM 408 N LYS A 40 1.421 -8.349 7.104 1.00 0.00 N ATOM 409 CA LYS A 40 0.392 -8.820 6.184 1.00 0.00 C ATOM 410 C LYS A 40 0.477 -8.121 4.835 1.00 0.00 C ATOM 411 O LYS A 40 0.169 -8.706 3.798 1.00 0.00 O ATOM 412 CB LYS A 40 -0.996 -8.582 6.793 1.00 0.00 C ATOM 413 CG LYS A 40 -1.136 -9.119 8.228 1.00 0.00 C ATOM 414 CD LYS A 40 -2.542 -9.622 8.549 1.00 0.00 C ATOM 415 CE LYS A 40 -3.627 -8.551 8.373 1.00 0.00 C ATOM 416 NZ LYS A 40 -4.268 -8.165 9.644 1.00 0.00 N ATOM 0 H LYS A 40 1.050 -7.893 7.937 1.00 0.00 H new ATOM 0 HA LYS A 40 0.555 -9.886 6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.206 -7.512 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.747 -9.056 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.424 -9.931 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.870 -8.330 8.932 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.772 -10.471 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.564 -9.986 9.576 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.186 -7.667 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.388 -8.922 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.186 -7.718 9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.413 -9.011 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.657 -7.493 10.151 1.00 0.00 H new ATOM 430 N VAL A 41 0.838 -6.844 4.847 1.00 0.00 N ATOM 431 CA VAL A 41 0.900 -6.013 3.663 1.00 0.00 C ATOM 432 C VAL A 41 2.174 -6.354 2.863 1.00 0.00 C ATOM 433 O VAL A 41 2.056 -6.577 1.657 1.00 0.00 O ATOM 434 CB VAL A 41 0.740 -4.560 4.142 1.00 0.00 C ATOM 435 CG1 VAL A 41 1.047 -3.543 3.053 1.00 0.00 C ATOM 436 CG2 VAL A 41 -0.689 -4.301 4.649 1.00 0.00 C ATOM 0 H VAL A 41 1.100 -6.352 5.701 1.00 0.00 H new ATOM 0 HA VAL A 41 0.100 -6.189 2.944 1.00 0.00 H new ATOM 0 HB VAL A 41 1.461 -4.435 4.950 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.917 -2.536 3.449 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.076 -3.671 2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.368 -3.693 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.775 -3.267 4.982 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.400 -4.483 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.906 -4.969 5.482 1.00 0.00 H new ATOM 446 N ARG A 42 3.352 -6.462 3.503 1.00 0.00 N ATOM 447 CA ARG A 42 4.606 -6.967 2.929 1.00 0.00 C ATOM 448 C ARG A 42 4.370 -8.308 2.253 1.00 0.00 C ATOM 449 O ARG A 42 4.766 -8.494 1.106 1.00 0.00 O ATOM 450 CB ARG A 42 5.666 -7.201 4.024 1.00 0.00 C ATOM 451 CG ARG A 42 6.478 -6.016 4.528 1.00 0.00 C ATOM 452 CD ARG A 42 7.409 -6.603 5.602 1.00 0.00 C ATOM 453 NE ARG A 42 8.435 -5.671 6.062 1.00 0.00 N ATOM 454 CZ ARG A 42 9.458 -5.223 5.330 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.642 -5.546 4.054 1.00 0.00 N ATOM 456 NH2 ARG A 42 10.340 -4.431 5.894 1.00 0.00 N ATOM 0 H ARG A 42 3.457 -6.186 4.479 1.00 0.00 H new ATOM 0 HA ARG A 42 4.955 -6.219 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.161 -7.643 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.368 -7.946 3.649 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.047 -5.555 3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.832 -5.243 4.944 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.810 -6.920 6.456 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.893 -7.494 5.203 1.00 0.00 H new ATOM 0 HE ARG A 42 8.364 -5.334 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.982 -6.167 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.443 -5.173 3.544 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.237 -4.169 6.874 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.129 -4.078 5.352 1.00 0.00 H new ATOM 470 N GLU A 43 3.757 -9.246 2.974 1.00 0.00 N ATOM 471 CA GLU A 43 3.531 -10.592 2.460 1.00 0.00 C ATOM 472 C GLU A 43 2.710 -10.503 1.174 1.00 0.00 C ATOM 473 O GLU A 43 3.044 -11.134 0.169 1.00 0.00 O ATOM 474 CB GLU A 43 2.848 -11.481 3.520 1.00 0.00 C ATOM 475 CG GLU A 43 2.479 -12.852 2.925 1.00 0.00 C ATOM 476 CD GLU A 43 2.057 -13.887 3.970 1.00 0.00 C ATOM 477 OE1 GLU A 43 0.935 -13.790 4.503 1.00 0.00 O ATOM 478 OE2 GLU A 43 2.841 -14.853 4.184 1.00 0.00 O ATOM 0 H GLU A 43 3.407 -9.095 3.920 1.00 0.00 H new ATOM 0 HA GLU A 43 4.488 -11.062 2.230 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.514 -11.616 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 43 1.950 -10.987 3.892 1.00 0.00 H new ATOM 0 HG2 GLU A 43 1.667 -12.720 2.210 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.334 -13.238 2.370 1.00 0.00 H new ATOM 485 N PHE A 44 1.640 -9.711 1.208 1.00 0.00 N ATOM 486 CA PHE A 44 0.706 -9.602 0.112 1.00 0.00 C ATOM 487 C PHE A 44 1.356 -9.001 -1.140 1.00 0.00 C ATOM 488 O PHE A 44 1.336 -9.637 -2.190 1.00 0.00 O ATOM 489 CB PHE A 44 -0.526 -8.834 0.584 1.00 0.00 C ATOM 490 CG PHE A 44 -1.581 -8.816 -0.483 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.417 -7.954 -1.576 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.644 -9.738 -0.459 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.264 -8.065 -2.676 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.554 -9.773 -1.529 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.360 -8.921 -2.629 1.00 0.00 C ATOM 0 H PHE A 44 1.403 -9.125 2.009 1.00 0.00 H new ATOM 0 HA PHE A 44 0.386 -10.598 -0.194 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.924 -9.295 1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.247 -7.813 0.844 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.637 -7.207 -1.565 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.759 -10.414 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.070 -7.486 -3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.396 -10.449 -1.506 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.067 -8.930 -3.445 1.00 0.00 H new ATOM 505 N ILE A 45 1.930 -7.792 -1.085 1.00 0.00 N ATOM 506 CA ILE A 45 2.557 -7.187 -2.273 1.00 0.00 C ATOM 507 C ILE A 45 3.624 -8.097 -2.906 1.00 0.00 C ATOM 508 O ILE A 45 3.719 -8.153 -4.133 1.00 0.00 O ATOM 509 CB ILE A 45 3.138 -5.795 -1.967 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.042 -5.783 -0.718 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.002 -4.784 -1.797 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.357 -5.056 -0.912 1.00 0.00 C ATOM 0 H ILE A 45 1.975 -7.218 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 45 1.760 -7.066 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 45 3.764 -5.518 -2.815 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.500 -5.317 0.105 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.248 -6.812 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.419 -3.801 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.417 -4.736 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.359 -5.094 -0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.933 -5.094 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.922 -5.534 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.163 -4.017 -1.176 1.00 0.00 H new ATOM 524 N PHE A 46 4.381 -8.848 -2.100 1.00 0.00 N ATOM 525 CA PHE A 46 5.387 -9.792 -2.583 1.00 0.00 C ATOM 526 C PHE A 46 4.776 -11.018 -3.264 1.00 0.00 C ATOM 527 O PHE A 46 5.473 -11.726 -3.992 1.00 0.00 O ATOM 528 CB PHE A 46 6.237 -10.264 -1.404 1.00 0.00 C ATOM 529 CG PHE A 46 7.561 -9.541 -1.283 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.572 -8.152 -1.071 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.776 -10.238 -1.416 1.00 0.00 C ATOM 532 CE1 PHE A 46 8.790 -7.456 -1.002 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.996 -9.542 -1.343 1.00 0.00 C ATOM 534 CZ PHE A 46 10.002 -8.151 -1.143 1.00 0.00 C ATOM 0 H PHE A 46 4.310 -8.815 -1.083 1.00 0.00 H new ATOM 0 HA PHE A 46 5.988 -9.267 -3.326 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.672 -10.127 -0.482 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.424 -11.333 -1.507 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.640 -7.617 -0.961 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.772 -11.306 -1.574 1.00 0.00 H new ATOM 0 HE1 PHE A 46 8.794 -6.388 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.929 -10.077 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 46 10.939 -7.616 -1.098 1.00 0.00 H new ATOM 544 N LYS A 47 3.507 -11.316 -2.998 1.00 0.00 N ATOM 545 CA LYS A 47 2.775 -12.401 -3.633 1.00 0.00 C ATOM 546 C LYS A 47 2.054 -11.890 -4.873 1.00 0.00 C ATOM 547 O LYS A 47 1.971 -12.644 -5.839 1.00 0.00 O ATOM 548 CB LYS A 47 1.775 -12.985 -2.629 1.00 0.00 C ATOM 549 CG LYS A 47 2.443 -13.910 -1.608 1.00 0.00 C ATOM 550 CD LYS A 47 1.517 -14.236 -0.425 1.00 0.00 C ATOM 551 CE LYS A 47 0.803 -15.579 -0.593 1.00 0.00 C ATOM 552 NZ LYS A 47 0.279 -16.082 0.694 1.00 0.00 N ATOM 0 H LYS A 47 2.950 -10.797 -2.320 1.00 0.00 H new ATOM 0 HA LYS A 47 3.470 -13.182 -3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.274 -12.171 -2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.006 -13.538 -3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.741 -14.836 -2.100 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.353 -13.440 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.100 -14.251 0.496 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.775 -13.444 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.017 -15.469 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.494 -16.309 -1.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.198 -16.993 0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.065 -16.210 1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.399 -15.397 1.084 1.00 0.00 H new ATOM 566 N TYR A 48 1.543 -10.654 -4.873 1.00 0.00 N ATOM 567 CA TYR A 48 0.669 -10.171 -5.938 1.00 0.00 C ATOM 568 C TYR A 48 1.219 -8.877 -6.526 1.00 0.00 C ATOM 569 O TYR A 48 2.054 -8.950 -7.430 1.00 0.00 O ATOM 570 CB TYR A 48 -0.755 -10.018 -5.381 1.00 0.00 C ATOM 571 CG TYR A 48 -1.328 -11.303 -4.828 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.959 -12.200 -5.701 1.00 0.00 C ATOM 573 CD2 TYR A 48 -1.201 -11.619 -3.461 1.00 0.00 C ATOM 574 CE1 TYR A 48 -2.484 -13.400 -5.208 1.00 0.00 C ATOM 575 CE2 TYR A 48 -1.695 -12.837 -2.960 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.377 -13.714 -3.837 1.00 0.00 C ATOM 577 OH TYR A 48 -2.942 -14.865 -3.379 1.00 0.00 O ATOM 0 H TYR A 48 1.724 -9.968 -4.140 1.00 0.00 H new ATOM 0 HA TYR A 48 0.631 -10.888 -6.758 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.750 -9.264 -4.594 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.408 -9.649 -6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -2.040 -11.966 -6.752 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.720 -10.920 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.973 -14.089 -5.880 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -1.556 -13.099 -1.922 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.785 -14.945 -2.415 1.00 0.00 H new ATOM 587 N SER A 49 0.888 -7.716 -5.956 1.00 0.00 N ATOM 588 CA SER A 49 1.380 -6.385 -6.303 1.00 0.00 C ATOM 589 C SER A 49 0.606 -5.365 -5.459 1.00 0.00 C ATOM 590 O SER A 49 -0.353 -5.717 -4.762 1.00 0.00 O ATOM 591 CB SER A 49 1.189 -6.087 -7.806 1.00 0.00 C ATOM 592 OG SER A 49 2.411 -5.692 -8.396 1.00 0.00 O ATOM 0 H SER A 49 0.221 -7.681 -5.185 1.00 0.00 H new ATOM 0 HA SER A 49 2.449 -6.326 -6.098 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.805 -6.973 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.446 -5.300 -7.934 1.00 0.00 H new ATOM 0 HG SER A 49 2.270 -5.509 -9.348 1.00 0.00 H new ATOM 598 N VAL A 50 1.001 -4.094 -5.524 1.00 0.00 N ATOM 599 CA VAL A 50 0.259 -2.984 -4.925 1.00 0.00 C ATOM 600 C VAL A 50 -1.140 -2.827 -5.519 1.00 0.00 C ATOM 601 O VAL A 50 -2.102 -2.769 -4.760 1.00 0.00 O ATOM 602 CB VAL A 50 1.072 -1.696 -4.869 1.00 0.00 C ATOM 603 CG1 VAL A 50 2.386 -1.863 -4.089 1.00 0.00 C ATOM 604 CG2 VAL A 50 1.251 -1.199 -6.267 1.00 0.00 C ATOM 0 H VAL A 50 1.855 -3.802 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 50 0.088 -3.244 -3.880 1.00 0.00 H new ATOM 0 HB VAL A 50 0.533 -0.937 -4.301 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.926 -0.916 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.165 -2.165 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.999 -2.626 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.831 -0.276 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.778 -1.950 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.275 -1.008 -6.713 1.00 0.00 H new ATOM 614 N GLN A 51 -1.271 -2.806 -6.850 1.00 0.00 N ATOM 615 CA GLN A 51 -2.563 -2.681 -7.520 1.00 0.00 C ATOM 616 C GLN A 51 -3.509 -3.748 -6.999 1.00 0.00 C ATOM 617 O GLN A 51 -4.641 -3.422 -6.651 1.00 0.00 O ATOM 618 CB GLN A 51 -2.426 -2.743 -9.052 1.00 0.00 C ATOM 619 CG GLN A 51 -3.789 -2.715 -9.776 1.00 0.00 C ATOM 620 CD GLN A 51 -4.336 -4.090 -10.175 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.007 -4.617 -11.237 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.203 -4.671 -9.362 1.00 0.00 N ATOM 0 H GLN A 51 -0.481 -2.876 -7.491 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.978 -1.699 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.822 -1.902 -9.392 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.892 -3.652 -9.328 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.517 -2.224 -9.130 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.695 -2.103 -10.673 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.463 -4.218 -8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.611 -5.572 -9.611 1.00 0.00 H new ATOM 631 N ASP A 52 -3.059 -5.000 -6.947 1.00 0.00 N ATOM 632 CA ASP A 52 -3.905 -6.101 -6.498 1.00 0.00 C ATOM 633 C ASP A 52 -4.297 -5.844 -5.050 1.00 0.00 C ATOM 634 O ASP A 52 -5.476 -5.910 -4.725 1.00 0.00 O ATOM 635 CB ASP A 52 -3.203 -7.453 -6.689 1.00 0.00 C ATOM 636 CG ASP A 52 -4.212 -8.601 -6.786 1.00 0.00 C ATOM 637 OD1 ASP A 52 -4.717 -9.031 -5.744 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.453 -9.091 -7.925 1.00 0.00 O ATOM 0 H ASP A 52 -2.113 -5.276 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.811 -6.151 -7.102 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.595 -7.424 -7.593 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.525 -7.633 -5.855 1.00 0.00 H new ATOM 643 N LEU A 53 -3.358 -5.404 -4.197 1.00 0.00 N ATOM 644 CA LEU A 53 -3.664 -5.169 -2.789 1.00 0.00 C ATOM 645 C LEU A 53 -4.727 -4.098 -2.623 1.00 0.00 C ATOM 646 O LEU A 53 -5.679 -4.296 -1.868 1.00 0.00 O ATOM 647 CB LEU A 53 -2.366 -4.810 -2.064 1.00 0.00 C ATOM 648 CG LEU A 53 -2.461 -4.526 -0.548 1.00 0.00 C ATOM 649 CD1 LEU A 53 -2.674 -3.041 -0.361 1.00 0.00 C ATOM 650 CD2 LEU A 53 -3.423 -5.411 0.257 1.00 0.00 C ATOM 0 H LEU A 53 -2.392 -5.207 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.080 -6.074 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.659 -5.627 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.941 -3.930 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.513 -4.824 -0.101 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.744 -2.815 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.835 -2.496 -0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.596 -2.740 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.400 -5.114 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.435 -5.295 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.118 -6.454 0.169 1.00 0.00 H new ATOM 662 N LEU A 54 -4.561 -2.972 -3.315 1.00 0.00 N ATOM 663 CA LEU A 54 -5.503 -1.873 -3.235 1.00 0.00 C ATOM 664 C LEU A 54 -6.867 -2.299 -3.787 1.00 0.00 C ATOM 665 O LEU A 54 -7.875 -1.818 -3.279 1.00 0.00 O ATOM 666 CB LEU A 54 -4.965 -0.624 -3.946 1.00 0.00 C ATOM 667 CG LEU A 54 -3.654 -0.049 -3.385 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.259 1.192 -4.192 1.00 0.00 C ATOM 669 CD2 LEU A 54 -3.725 0.278 -1.884 1.00 0.00 C ATOM 0 H LEU A 54 -3.773 -2.803 -3.941 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.634 -1.608 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.814 -0.865 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.728 0.153 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.891 -0.821 -3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.330 1.602 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.119 0.917 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.047 1.941 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.767 0.680 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.508 1.016 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.951 -0.630 -1.324 1.00 0.00 H new ATOM 681 N VAL A 55 -6.931 -3.211 -4.766 1.00 0.00 N ATOM 682 CA VAL A 55 -8.198 -3.817 -5.164 1.00 0.00 C ATOM 683 C VAL A 55 -8.754 -4.651 -4.008 1.00 0.00 C ATOM 684 O VAL A 55 -9.875 -4.379 -3.588 1.00 0.00 O ATOM 685 CB VAL A 55 -8.093 -4.605 -6.486 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.403 -5.350 -6.776 1.00 0.00 C ATOM 687 CG2 VAL A 55 -7.819 -3.651 -7.661 1.00 0.00 C ATOM 0 H VAL A 55 -6.122 -3.541 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.910 -3.020 -5.377 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.274 -5.316 -6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.309 -5.900 -7.712 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.612 -6.048 -5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.219 -4.632 -6.857 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.748 -4.224 -8.586 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.633 -2.930 -7.742 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.882 -3.122 -7.489 1.00 0.00 H new ATOM 697 N ARG A 56 -8.004 -5.628 -3.477 1.00 0.00 N ATOM 698 CA ARG A 56 -8.507 -6.560 -2.458 1.00 0.00 C ATOM 699 C ARG A 56 -9.171 -5.813 -1.318 1.00 0.00 C ATOM 700 O ARG A 56 -10.281 -6.145 -0.905 1.00 0.00 O ATOM 701 CB ARG A 56 -7.398 -7.482 -1.904 1.00 0.00 C ATOM 702 CG ARG A 56 -6.722 -8.435 -2.895 1.00 0.00 C ATOM 703 CD ARG A 56 -7.669 -9.164 -3.839 1.00 0.00 C ATOM 704 NE ARG A 56 -8.574 -10.091 -3.134 1.00 0.00 N ATOM 705 CZ ARG A 56 -8.297 -11.296 -2.623 1.00 0.00 C ATOM 706 NH1 ARG A 56 -7.067 -11.797 -2.664 1.00 0.00 N ATOM 707 NH2 ARG A 56 -9.267 -11.994 -2.037 1.00 0.00 N ATOM 0 H ARG A 56 -7.033 -5.794 -3.742 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.246 -7.190 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.626 -6.853 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.826 -8.079 -1.099 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.006 -7.868 -3.490 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.153 -9.175 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.261 -8.433 -4.389 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.086 -9.720 -4.574 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.536 -9.772 -3.021 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.312 -11.261 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.878 -12.718 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.210 -11.609 -1.981 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.067 -12.914 -1.644 1.00 0.00 H new ATOM 721 N VAL A 57 -8.461 -4.827 -0.786 1.00 0.00 N ATOM 722 CA VAL A 57 -8.935 -4.075 0.366 1.00 0.00 C ATOM 723 C VAL A 57 -10.127 -3.196 0.009 1.00 0.00 C ATOM 724 O VAL A 57 -11.088 -3.181 0.771 1.00 0.00 O ATOM 725 CB VAL A 57 -7.783 -3.306 1.020 1.00 0.00 C ATOM 726 CG1 VAL A 57 -7.172 -2.199 0.170 1.00 0.00 C ATOM 727 CG2 VAL A 57 -8.202 -2.697 2.357 1.00 0.00 C ATOM 0 H VAL A 57 -7.551 -4.529 -1.137 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.304 -4.777 1.114 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.017 -4.070 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.366 -1.718 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.775 -2.625 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.937 -1.461 -0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.360 -2.159 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.030 -2.007 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.515 -3.490 3.036 1.00 0.00 H new ATOM 737 N ALA A 58 -10.085 -2.468 -1.110 1.00 0.00 N ATOM 738 CA ALA A 58 -11.203 -1.642 -1.545 1.00 0.00 C ATOM 739 C ALA A 58 -12.461 -2.482 -1.741 1.00 0.00 C ATOM 740 O ALA A 58 -13.530 -2.072 -1.293 1.00 0.00 O ATOM 741 CB ALA A 58 -10.858 -0.897 -2.839 1.00 0.00 C ATOM 0 H ALA A 58 -9.278 -2.438 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.398 -0.909 -0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -11.708 -0.287 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.993 -0.256 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.628 -1.618 -3.624 1.00 0.00 H new ATOM 747 N GLU A 59 -12.330 -3.650 -2.370 1.00 0.00 N ATOM 748 CA GLU A 59 -13.433 -4.564 -2.597 1.00 0.00 C ATOM 749 C GLU A 59 -14.018 -4.981 -1.246 1.00 0.00 C ATOM 750 O GLU A 59 -15.229 -4.910 -1.042 1.00 0.00 O ATOM 751 CB GLU A 59 -12.959 -5.773 -3.416 1.00 0.00 C ATOM 752 CG GLU A 59 -14.130 -6.548 -4.039 1.00 0.00 C ATOM 753 CD GLU A 59 -13.698 -7.959 -4.427 1.00 0.00 C ATOM 754 OE1 GLU A 59 -13.019 -8.125 -5.467 1.00 0.00 O ATOM 755 OE2 GLU A 59 -13.822 -8.895 -3.601 1.00 0.00 O ATOM 0 H GLU A 59 -11.440 -3.986 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.217 -4.074 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.289 -5.434 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.384 -6.441 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.957 -6.597 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.495 -6.019 -4.919 1.00 0.00 H new ATOM 762 N ASP A 60 -13.162 -5.388 -0.302 1.00 0.00 N ATOM 763 CA ASP A 60 -13.568 -5.790 1.043 1.00 0.00 C ATOM 764 C ASP A 60 -14.307 -4.654 1.759 1.00 0.00 C ATOM 765 O ASP A 60 -15.400 -4.842 2.298 1.00 0.00 O ATOM 766 CB ASP A 60 -12.343 -6.220 1.871 1.00 0.00 C ATOM 767 CG ASP A 60 -12.751 -7.235 2.943 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.622 -6.942 3.791 1.00 0.00 O ATOM 769 OD2 ASP A 60 -12.174 -8.346 3.005 1.00 0.00 O ATOM 0 H ASP A 60 -12.155 -5.447 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.247 -6.637 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.589 -6.657 1.216 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.890 -5.347 2.341 1.00 0.00 H new ATOM 774 N ARG A 61 -13.696 -3.467 1.772 1.00 0.00 N ATOM 775 CA ARG A 61 -14.079 -2.298 2.565 1.00 0.00 C ATOM 776 C ARG A 61 -15.135 -1.435 1.881 1.00 0.00 C ATOM 777 O ARG A 61 -15.530 -0.419 2.454 1.00 0.00 O ATOM 778 CB ARG A 61 -12.821 -1.474 2.887 1.00 0.00 C ATOM 779 CG ARG A 61 -11.865 -2.204 3.841 1.00 0.00 C ATOM 780 CD ARG A 61 -12.029 -1.700 5.278 1.00 0.00 C ATOM 781 NE ARG A 61 -11.357 -2.610 6.216 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.889 -3.118 7.335 1.00 0.00 C ATOM 783 NH1 ARG A 61 -13.054 -2.705 7.816 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.237 -4.065 7.995 1.00 0.00 N ATOM 0 H ARG A 61 -12.874 -3.286 1.196 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.537 -2.656 3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.296 -1.242 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.117 -0.524 3.332 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.058 -3.276 3.804 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.836 -2.054 3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.610 -0.698 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.088 -1.627 5.527 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.398 -2.879 5.995 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.577 -1.976 7.330 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.427 -3.116 8.672 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.338 -4.401 7.650 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.634 -4.458 8.848 1.00 0.00 H new ATOM 798 N ASN A 62 -15.616 -1.822 0.698 1.00 0.00 N ATOM 799 CA ASN A 62 -16.645 -1.092 -0.042 1.00 0.00 C ATOM 800 C ASN A 62 -16.166 0.319 -0.413 1.00 0.00 C ATOM 801 O ASN A 62 -16.902 1.303 -0.292 1.00 0.00 O ATOM 802 CB ASN A 62 -17.947 -1.112 0.770 1.00 0.00 C ATOM 803 CG ASN A 62 -19.170 -1.161 -0.120 1.00 0.00 C ATOM 804 OD1 ASN A 62 -19.935 -2.126 -0.052 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.400 -0.138 -0.913 1.00 0.00 N ATOM 0 H ASN A 62 -15.296 -2.665 0.221 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.846 -1.581 -0.995 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.947 -1.977 1.434 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -17.994 -0.225 1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.235 -0.125 -1.499 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.744 0.642 -0.942 1.00 0.00 H new ATOM 812 N LEU A 63 -14.899 0.402 -0.816 1.00 0.00 N ATOM 813 CA LEU A 63 -14.163 1.607 -1.208 1.00 0.00 C ATOM 814 C LEU A 63 -13.807 1.528 -2.697 1.00 0.00 C ATOM 815 O LEU A 63 -14.267 0.616 -3.391 1.00 0.00 O ATOM 816 CB LEU A 63 -12.883 1.781 -0.365 1.00 0.00 C ATOM 817 CG LEU A 63 -13.033 1.643 1.158 1.00 0.00 C ATOM 818 CD1 LEU A 63 -11.666 1.699 1.853 1.00 0.00 C ATOM 819 CD2 LEU A 63 -13.933 2.730 1.740 1.00 0.00 C ATOM 0 H LEU A 63 -14.315 -0.432 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.800 2.473 -1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.152 1.047 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.467 2.766 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.495 0.672 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.801 1.599 2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.039 0.885 1.489 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.186 2.653 1.635 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.013 2.597 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.505 3.710 1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -14.924 2.661 1.291 1.00 0.00 H new ATOM 831 N ASP A 64 -12.969 2.449 -3.189 1.00 0.00 N ATOM 832 CA ASP A 64 -12.584 2.528 -4.592 1.00 0.00 C ATOM 833 C ASP A 64 -11.066 2.556 -4.636 1.00 0.00 C ATOM 834 O ASP A 64 -10.408 3.411 -4.033 1.00 0.00 O ATOM 835 CB ASP A 64 -13.092 3.787 -5.304 1.00 0.00 C ATOM 836 CG ASP A 64 -14.590 4.067 -5.211 1.00 0.00 C ATOM 837 OD1 ASP A 64 -15.102 4.301 -4.092 1.00 0.00 O ATOM 838 OD2 ASP A 64 -15.236 4.129 -6.280 1.00 0.00 O ATOM 0 H ASP A 64 -12.536 3.168 -2.610 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.024 1.672 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -12.559 4.647 -4.898 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.824 3.714 -6.358 1.00 0.00 H new ATOM 843 N VAL A 65 -10.497 1.627 -5.387 1.00 0.00 N ATOM 844 CA VAL A 65 -9.062 1.496 -5.583 1.00 0.00 C ATOM 845 C VAL A 65 -8.442 2.750 -6.215 1.00 0.00 C ATOM 846 O VAL A 65 -7.272 3.067 -5.980 1.00 0.00 O ATOM 847 CB VAL A 65 -8.812 0.218 -6.396 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.529 0.289 -7.747 1.00 0.00 C ATOM 849 CG2 VAL A 65 -7.313 -0.019 -6.584 1.00 0.00 C ATOM 0 H VAL A 65 -11.036 0.923 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.560 1.407 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.219 -0.627 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.339 -0.626 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.601 0.399 -7.585 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.158 1.144 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.158 -0.930 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.875 0.827 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.836 -0.123 -5.609 1.00 0.00 H new ATOM 859 N GLU A 66 -9.223 3.482 -7.004 1.00 0.00 N ATOM 860 CA GLU A 66 -8.775 4.659 -7.730 1.00 0.00 C ATOM 861 C GLU A 66 -8.348 5.749 -6.747 1.00 0.00 C ATOM 862 O GLU A 66 -7.384 6.476 -6.999 1.00 0.00 O ATOM 863 CB GLU A 66 -9.915 5.145 -8.639 1.00 0.00 C ATOM 864 CG GLU A 66 -10.409 4.078 -9.628 1.00 0.00 C ATOM 865 CD GLU A 66 -9.344 3.712 -10.663 1.00 0.00 C ATOM 866 OE1 GLU A 66 -8.430 2.912 -10.330 1.00 0.00 O ATOM 867 OE2 GLU A 66 -9.370 4.254 -11.786 1.00 0.00 O ATOM 0 H GLU A 66 -10.208 3.265 -7.158 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.911 4.413 -8.348 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.751 5.468 -8.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.576 6.018 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.702 3.183 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.300 4.444 -10.139 1.00 0.00 H new ATOM 874 N VAL A 67 -9.032 5.845 -5.607 1.00 0.00 N ATOM 875 CA VAL A 67 -8.729 6.832 -4.586 1.00 0.00 C ATOM 876 C VAL A 67 -7.495 6.362 -3.816 1.00 0.00 C ATOM 877 O VAL A 67 -6.619 7.170 -3.524 1.00 0.00 O ATOM 878 CB VAL A 67 -9.939 7.046 -3.658 1.00 0.00 C ATOM 879 CG1 VAL A 67 -9.736 8.326 -2.839 1.00 0.00 C ATOM 880 CG2 VAL A 67 -11.281 7.185 -4.398 1.00 0.00 C ATOM 0 H VAL A 67 -9.814 5.235 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.516 7.797 -5.045 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.991 6.154 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.593 8.477 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.831 8.234 -2.239 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.640 9.178 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.082 7.333 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.238 8.041 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.475 6.280 -4.974 1.00 0.00 H new ATOM 890 N LEU A 68 -7.366 5.057 -3.532 1.00 0.00 N ATOM 891 CA LEU A 68 -6.179 4.517 -2.865 1.00 0.00 C ATOM 892 C LEU A 68 -4.914 4.833 -3.659 1.00 0.00 C ATOM 893 O LEU A 68 -3.887 5.156 -3.063 1.00 0.00 O ATOM 894 CB LEU A 68 -6.267 2.993 -2.664 1.00 0.00 C ATOM 895 CG LEU A 68 -7.361 2.535 -1.692 1.00 0.00 C ATOM 896 CD1 LEU A 68 -7.631 1.031 -1.750 1.00 0.00 C ATOM 897 CD2 LEU A 68 -6.992 2.861 -0.243 1.00 0.00 C ATOM 0 H LEU A 68 -8.073 4.357 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.134 4.996 -1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.440 2.522 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.304 2.632 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.253 3.076 -2.007 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.415 0.774 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.950 0.757 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.720 0.488 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.788 2.523 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.063 2.355 0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.861 3.938 -0.134 1.00 0.00 H new ATOM 909 N ASN A 69 -4.993 4.745 -4.993 1.00 0.00 N ATOM 910 CA ASN A 69 -3.899 5.086 -5.900 1.00 0.00 C ATOM 911 C ASN A 69 -3.455 6.528 -5.670 1.00 0.00 C ATOM 912 O ASN A 69 -2.258 6.796 -5.578 1.00 0.00 O ATOM 913 CB ASN A 69 -4.302 4.892 -7.372 1.00 0.00 C ATOM 914 CG ASN A 69 -4.055 3.476 -7.867 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.043 3.216 -8.510 1.00 0.00 O ATOM 916 ND2 ASN A 69 -4.944 2.542 -7.576 1.00 0.00 N ATOM 0 H ASN A 69 -5.834 4.429 -5.476 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.070 4.412 -5.686 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.358 5.135 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.743 5.592 -7.993 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.796 1.582 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.778 2.781 -7.040 1.00 0.00 H new ATOM 923 N GLN A 70 -4.401 7.467 -5.570 1.00 0.00 N ATOM 924 CA GLN A 70 -4.065 8.855 -5.314 1.00 0.00 C ATOM 925 C GLN A 70 -3.577 9.070 -3.880 1.00 0.00 C ATOM 926 O GLN A 70 -2.554 9.738 -3.720 1.00 0.00 O ATOM 927 CB GLN A 70 -5.228 9.782 -5.675 1.00 0.00 C ATOM 928 CG GLN A 70 -5.174 10.170 -7.160 1.00 0.00 C ATOM 929 CD GLN A 70 -6.116 11.326 -7.476 1.00 0.00 C ATOM 930 OE1 GLN A 70 -5.842 12.471 -7.139 1.00 0.00 O ATOM 931 NE2 GLN A 70 -7.240 11.064 -8.121 1.00 0.00 N ATOM 0 H GLN A 70 -5.400 7.284 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.231 9.116 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -6.175 9.287 -5.458 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.189 10.680 -5.058 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.154 10.448 -7.426 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.439 9.307 -7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.458 10.107 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.889 11.819 -8.343 1.00 0.00 H new ATOM 940 N VAL A 71 -4.253 8.529 -2.858 1.00 0.00 N ATOM 941 CA VAL A 71 -3.895 8.672 -1.449 1.00 0.00 C ATOM 942 C VAL A 71 -2.444 8.246 -1.218 1.00 0.00 C ATOM 943 O VAL A 71 -1.688 9.031 -0.638 1.00 0.00 O ATOM 944 CB VAL A 71 -4.927 7.962 -0.550 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.366 7.782 0.853 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.178 8.833 -0.354 1.00 0.00 C ATOM 0 H VAL A 71 -5.090 7.963 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.938 9.722 -1.160 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.160 7.015 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.104 7.280 1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.459 7.180 0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.133 8.758 1.280 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -6.890 8.309 0.284 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.895 9.775 0.115 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.637 9.033 -1.322 1.00 0.00 H new ATOM 956 N ARG A 72 -2.029 7.054 -1.672 1.00 0.00 N ATOM 957 CA ARG A 72 -0.641 6.609 -1.461 1.00 0.00 C ATOM 958 C ARG A 72 0.385 7.645 -1.909 1.00 0.00 C ATOM 959 O ARG A 72 1.366 7.897 -1.214 1.00 0.00 O ATOM 960 CB ARG A 72 -0.371 5.193 -1.979 1.00 0.00 C ATOM 961 CG ARG A 72 -0.412 5.069 -3.489 1.00 0.00 C ATOM 962 CD ARG A 72 0.001 3.676 -4.019 1.00 0.00 C ATOM 963 NE ARG A 72 1.003 3.742 -5.099 1.00 0.00 N ATOM 964 CZ ARG A 72 2.252 4.222 -5.029 1.00 0.00 C ATOM 965 NH1 ARG A 72 2.727 4.733 -3.897 1.00 0.00 N ATOM 966 NH2 ARG A 72 3.023 4.203 -6.107 1.00 0.00 N ATOM 0 H ARG A 72 -2.619 6.393 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.511 6.530 -0.382 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.607 4.868 -1.625 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.107 4.514 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.421 5.293 -3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.247 5.821 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 72 0.401 3.085 -3.196 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.884 3.156 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 72 0.711 3.379 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.138 4.764 -3.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.680 5.094 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.665 3.824 -6.984 1.00 0.00 H new ATOM 0 HH22 ARG A 72 3.975 4.567 -6.060 1.00 0.00 H new ATOM 980 N ALA A 73 0.121 8.244 -3.062 1.00 0.00 N ATOM 981 CA ALA A 73 0.952 9.251 -3.697 1.00 0.00 C ATOM 982 C ALA A 73 0.911 10.630 -3.009 1.00 0.00 C ATOM 983 O ALA A 73 1.805 11.441 -3.263 1.00 0.00 O ATOM 984 CB ALA A 73 0.543 9.334 -5.170 1.00 0.00 C ATOM 0 H ALA A 73 -0.717 8.030 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 73 1.994 8.944 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.151 10.084 -5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.694 8.365 -5.645 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.509 9.612 -5.241 1.00 0.00 H new ATOM 990 N GLN A 74 -0.071 10.941 -2.147 1.00 0.00 N ATOM 991 CA GLN A 74 -0.071 12.207 -1.412 1.00 0.00 C ATOM 992 C GLN A 74 1.090 12.247 -0.415 1.00 0.00 C ATOM 993 O GLN A 74 1.705 13.302 -0.231 1.00 0.00 O ATOM 994 CB GLN A 74 -1.383 12.423 -0.640 1.00 0.00 C ATOM 995 CG GLN A 74 -2.663 12.234 -1.460 1.00 0.00 C ATOM 996 CD GLN A 74 -2.879 13.217 -2.607 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.253 14.274 -2.704 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.801 12.898 -3.495 1.00 0.00 N ATOM 0 H GLN A 74 -0.867 10.336 -1.946 1.00 0.00 H new ATOM 0 HA GLN A 74 0.037 13.000 -2.152 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.407 11.734 0.204 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.381 13.432 -0.228 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.661 11.224 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.516 12.303 -0.785 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.313 12.021 -3.405 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.001 13.529 -4.271 1.00 0.00 H new ATOM 1007 N SER A 75 1.370 11.112 0.235 1.00 0.00 N ATOM 1008 CA SER A 75 2.392 11.000 1.263 1.00 0.00 C ATOM 1009 C SER A 75 3.748 11.362 0.660 1.00 0.00 C ATOM 1010 O SER A 75 4.043 11.022 -0.485 1.00 0.00 O ATOM 1011 CB SER A 75 2.372 9.577 1.830 1.00 0.00 C ATOM 1012 OG SER A 75 3.005 9.520 3.092 1.00 0.00 O ATOM 0 H SER A 75 0.881 10.236 0.053 1.00 0.00 H new ATOM 0 HA SER A 75 2.199 11.690 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.341 9.234 1.921 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.873 8.900 1.138 1.00 0.00 H new ATOM 0 HG SER A 75 2.839 8.646 3.502 1.00 0.00 H new ATOM 1018 N LEU A 76 4.583 12.078 1.414 1.00 0.00 N ATOM 1019 CA LEU A 76 5.881 12.508 0.934 1.00 0.00 C ATOM 1020 C LEU A 76 6.839 11.341 1.011 1.00 0.00 C ATOM 1021 O LEU A 76 7.630 11.196 0.089 1.00 0.00 O ATOM 1022 CB LEU A 76 6.398 13.712 1.736 1.00 0.00 C ATOM 1023 CG LEU A 76 5.825 15.056 1.260 1.00 0.00 C ATOM 1024 CD1 LEU A 76 6.382 16.190 2.120 1.00 0.00 C ATOM 1025 CD2 LEU A 76 6.130 15.387 -0.210 1.00 0.00 C ATOM 0 H LEU A 76 4.373 12.371 2.368 1.00 0.00 H new ATOM 0 HA LEU A 76 5.796 12.835 -0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.149 13.572 2.788 1.00 0.00 H new ATOM 0 HB3 LEU A 76 7.485 13.745 1.667 1.00 0.00 H new ATOM 0 HG LEU A 76 4.744 14.960 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.973 17.141 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.103 16.028 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 76 7.468 16.211 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.690 16.351 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.209 15.430 -0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.707 14.614 -0.852 1.00 0.00 H new ATOM 1037 N ALA A 77 6.758 10.485 2.030 1.00 0.00 N ATOM 1038 CA ALA A 77 7.650 9.349 2.225 1.00 0.00 C ATOM 1039 C ALA A 77 7.740 8.443 0.995 1.00 0.00 C ATOM 1040 O ALA A 77 8.819 7.945 0.671 1.00 0.00 O ATOM 1041 CB ALA A 77 7.157 8.545 3.425 1.00 0.00 C ATOM 0 H ALA A 77 6.050 10.568 2.760 1.00 0.00 H new ATOM 0 HA ALA A 77 8.653 9.738 2.398 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.814 7.690 3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.161 9.177 4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.143 8.193 3.235 1.00 0.00 H new ATOM 1047 N GLU A 78 6.620 8.260 0.292 1.00 0.00 N ATOM 1048 CA GLU A 78 6.469 7.414 -0.895 1.00 0.00 C ATOM 1049 C GLU A 78 7.433 7.798 -2.020 1.00 0.00 C ATOM 1050 O GLU A 78 7.801 6.999 -2.880 1.00 0.00 O ATOM 1051 CB GLU A 78 4.995 7.521 -1.339 1.00 0.00 C ATOM 1052 CG GLU A 78 4.675 8.620 -2.396 1.00 0.00 C ATOM 1053 CD GLU A 78 4.652 8.069 -3.838 1.00 0.00 C ATOM 1054 OE1 GLU A 78 4.410 6.850 -4.021 1.00 0.00 O ATOM 1055 OE2 GLU A 78 4.792 8.824 -4.818 1.00 0.00 O ATOM 0 H GLU A 78 5.748 8.722 0.549 1.00 0.00 H new ATOM 0 HA GLU A 78 6.724 6.383 -0.651 1.00 0.00 H new ATOM 0 HB2 GLU A 78 4.688 6.557 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.383 7.706 -0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.708 9.068 -2.167 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.419 9.414 -2.326 1.00 0.00 H new ATOM 1062 N LYS A 79 7.775 9.076 -2.004 1.00 0.00 N ATOM 1063 CA LYS A 79 8.251 9.939 -3.068 1.00 0.00 C ATOM 1064 C LYS A 79 9.574 10.562 -2.686 1.00 0.00 C ATOM 1065 O LYS A 79 10.350 10.951 -3.556 1.00 0.00 O ATOM 1066 CB LYS A 79 7.112 10.939 -3.266 1.00 0.00 C ATOM 1067 CG LYS A 79 7.543 12.286 -3.763 1.00 0.00 C ATOM 1068 CD LYS A 79 6.393 13.222 -4.113 1.00 0.00 C ATOM 1069 CE LYS A 79 6.909 14.671 -4.049 1.00 0.00 C ATOM 1070 NZ LYS A 79 5.840 15.664 -4.269 1.00 0.00 N ATOM 0 H LYS A 79 7.717 9.597 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 79 8.467 9.424 -4.004 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.395 10.518 -3.971 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.589 11.066 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.163 12.760 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.168 12.152 -4.646 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.012 12.999 -5.110 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.566 13.083 -3.417 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.368 14.847 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.688 14.809 -4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.240 16.622 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.417 15.517 -5.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.108 15.553 -3.539 1.00 0.00 H new ATOM 1084 N ASN A 80 9.823 10.682 -1.385 1.00 0.00 N ATOM 1085 CA ASN A 80 11.076 11.119 -0.834 1.00 0.00 C ATOM 1086 C ASN A 80 12.075 9.973 -0.979 1.00 0.00 C ATOM 1087 O ASN A 80 13.229 10.190 -1.344 1.00 0.00 O ATOM 1088 CB ASN A 80 10.907 11.530 0.641 1.00 0.00 C ATOM 1089 CG ASN A 80 10.405 12.959 0.829 1.00 0.00 C ATOM 1090 OD1 ASN A 80 10.888 13.710 1.669 1.00 0.00 O ATOM 1091 ND2 ASN A 80 9.433 13.405 0.060 1.00 0.00 N ATOM 0 H ASN A 80 9.126 10.467 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 80 11.441 11.997 -1.368 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.210 10.844 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.864 11.421 1.151 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.094 14.361 0.169 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.019 12.794 -0.644 1.00 0.00 H new ATOM 1098 N ALA A 81 11.616 8.751 -0.705 1.00 0.00 N ATOM 1099 CA ALA A 81 12.386 7.535 -0.837 1.00 0.00 C ATOM 1100 C ALA A 81 12.868 7.315 -2.275 1.00 0.00 C ATOM 1101 O ALA A 81 12.324 7.891 -3.221 1.00 0.00 O ATOM 1102 CB ALA A 81 11.487 6.387 -0.372 1.00 0.00 C ATOM 0 H ALA A 81 10.665 8.586 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 81 13.288 7.594 -0.229 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.028 5.445 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.197 6.549 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.594 6.348 -0.996 1.00 0.00 H new ATOM 1108 N GLN A 82 13.852 6.427 -2.425 1.00 0.00 N ATOM 1109 CA GLN A 82 14.553 6.123 -3.663 1.00 0.00 C ATOM 1110 C GLN A 82 14.588 4.610 -3.890 1.00 0.00 C ATOM 1111 O GLN A 82 14.185 3.846 -3.012 1.00 0.00 O ATOM 1112 CB GLN A 82 15.962 6.738 -3.616 1.00 0.00 C ATOM 1113 CG GLN A 82 16.903 6.115 -2.569 1.00 0.00 C ATOM 1114 CD GLN A 82 18.033 5.308 -3.201 1.00 0.00 C ATOM 1115 OE1 GLN A 82 18.933 5.857 -3.839 1.00 0.00 O ATOM 1116 NE2 GLN A 82 18.036 3.998 -3.032 1.00 0.00 N ATOM 0 H GLN A 82 14.196 5.873 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 82 14.025 6.562 -4.510 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.420 6.639 -4.600 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.871 7.805 -3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.328 6.906 -1.952 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.327 5.469 -1.907 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.288 3.550 -2.503 1.00 0.00 H new ATOM 0 HE22 GLN A 82 18.787 3.434 -3.431 1.00 0.00 H new ATOM 1125 N VAL A 83 15.115 4.187 -5.037 1.00 0.00 N ATOM 1126 CA VAL A 83 15.242 2.790 -5.430 1.00 0.00 C ATOM 1127 C VAL A 83 16.701 2.520 -5.810 1.00 0.00 C ATOM 1128 O VAL A 83 17.444 3.423 -6.216 1.00 0.00 O ATOM 1129 CB VAL A 83 14.233 2.467 -6.559 1.00 0.00 C ATOM 1130 CG1 VAL A 83 14.202 0.969 -6.906 1.00 0.00 C ATOM 1131 CG2 VAL A 83 12.803 2.873 -6.160 1.00 0.00 C ATOM 0 H VAL A 83 15.477 4.831 -5.740 1.00 0.00 H new ATOM 0 HA VAL A 83 14.993 2.121 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 83 14.571 3.036 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 83 13.479 0.795 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 83 15.191 0.652 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 83 13.914 0.397 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.117 2.634 -6.973 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.507 2.329 -5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 83 12.771 3.944 -5.961 1.00 0.00 H new ATOM 1141 N VAL A 84 17.128 1.274 -5.623 1.00 0.00 N ATOM 1142 CA VAL A 84 18.444 0.779 -5.979 1.00 0.00 C ATOM 1143 C VAL A 84 18.493 0.484 -7.473 1.00 0.00 C ATOM 1144 O VAL A 84 17.466 0.121 -8.082 1.00 0.00 O ATOM 1145 CB VAL A 84 18.824 -0.410 -5.072 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.068 0.107 -3.644 1.00 0.00 C ATOM 1147 CG2 VAL A 84 17.766 -1.526 -5.013 1.00 0.00 C ATOM 0 H VAL A 84 16.538 0.556 -5.202 1.00 0.00 H new ATOM 0 HA VAL A 84 19.208 1.536 -5.800 1.00 0.00 H new ATOM 0 HB VAL A 84 19.720 -0.851 -5.510 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.337 -0.727 -2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 84 19.879 0.835 -3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.161 0.580 -3.268 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.113 -2.322 -4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.830 -1.120 -4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.605 -1.928 -6.013 1.00 0.00 H new TER 1157 VAL A 84