USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 GLN : amide:sc= -0.29! C(o=-0.29!,f=-7!) USER MOD Set 1.2: A 48 ASN : amide:sc=-0.00413 K(o=-0.29,f=-5.2!) USER MOD Set 2.1: A 30 THR OG1 : rot -26:sc= -2.11! USER MOD Set 2.2: A 32 TYR OH : rot 180:sc= -0.985! USER MOD Set 3.1: A 14 SER OG : rot 86:sc= 0.535 USER MOD Set 3.2: A 113 ASN : amide:sc= 1.29 K(o=1.8,f=0.66) USER MOD Single : A 1 ALA N :NH3+ 145:sc= 0.029 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 49:sc= 1.05 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.334 USER MOD Single : A 10 SER OG : rot -100:sc= -0.885 USER MOD Single : A 11 SER OG : rot 180:sc= -0.294 USER MOD Single : A 17 THR OG1 : rot 99:sc= 1.13 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.99) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00663 USER MOD Single : A 53 SER OG : rot 139:sc= 0.855 USER MOD Single : A 54 SER OG : rot -62:sc= 0.89 USER MOD Single : A 56 THR OG1 : rot 18:sc= 0.254 USER MOD Single : A 60 ASN : amide:sc= 1.29 K(o=1.3,f=-0.1) USER MOD Single : A 62 SER OG : rot 27:sc= 0.924 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 120:sc= -0.0414 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 101:sc= 1.17 USER MOD Single : A 72 SER OG : rot -86:sc= 1.27 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 114:sc= 0.303 USER MOD Single : A 90 THR OG1 : rot -52:sc= 0.23 USER MOD Single : A 94 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.6) USER MOD Single : A 98 SER OG : rot 180:sc= -0.042 USER MOD Single : A 103 ASN : amide:sc= -0.268 K(o=-0.27,f=-1.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -16.059 5.036 16.533 1.00 0.00 N ATOM 2 CA ALA A 1 -16.523 3.724 16.035 1.00 0.00 C ATOM 3 C ALA A 1 -15.372 2.964 15.390 1.00 0.00 C ATOM 4 O ALA A 1 -14.479 3.563 14.791 1.00 0.00 O ATOM 5 CB ALA A 1 -17.656 3.912 15.044 1.00 0.00 C ATOM 0 H1 ALA A 1 -16.816 5.739 16.416 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.812 4.958 17.540 1.00 0.00 H new ATOM 0 H3 ALA A 1 -15.222 5.336 15.994 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.891 3.140 16.878 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.990 2.939 14.684 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.486 4.422 15.533 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.308 4.510 14.202 1.00 0.00 H new ATOM 11 N ALA A 2 -15.392 1.646 15.511 1.00 0.00 N ATOM 12 CA ALA A 2 -14.347 0.812 14.943 1.00 0.00 C ATOM 13 C ALA A 2 -14.724 0.334 13.543 1.00 0.00 C ATOM 14 O ALA A 2 -15.759 -0.305 13.358 1.00 0.00 O ATOM 15 CB ALA A 2 -14.075 -0.376 15.850 1.00 0.00 C ATOM 0 H ALA A 2 -16.124 1.130 16.000 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.441 1.412 14.861 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.290 -0.994 15.414 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -13.755 -0.020 16.829 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.984 -0.967 15.958 1.00 0.00 H new ATOM 21 N PRO A 3 -13.897 0.659 12.537 1.00 0.00 N ATOM 22 CA PRO A 3 -14.138 0.250 11.150 1.00 0.00 C ATOM 23 C PRO A 3 -13.856 -1.236 10.936 1.00 0.00 C ATOM 24 O PRO A 3 -13.494 -1.948 11.872 1.00 0.00 O ATOM 25 CB PRO A 3 -13.150 1.105 10.356 1.00 0.00 C ATOM 26 CG PRO A 3 -12.036 1.378 11.309 1.00 0.00 C ATOM 27 CD PRO A 3 -12.666 1.460 12.671 1.00 0.00 C ATOM 0 HA PRO A 3 -15.177 0.390 10.851 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.794 0.579 9.470 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -13.613 2.030 10.013 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.288 0.586 11.272 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.527 2.309 11.058 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.008 1.057 13.441 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.887 2.491 12.948 1.00 0.00 H new ATOM 35 N THR A 4 -14.027 -1.705 9.710 1.00 0.00 N ATOM 36 CA THR A 4 -13.791 -3.104 9.390 1.00 0.00 C ATOM 37 C THR A 4 -12.707 -3.247 8.323 1.00 0.00 C ATOM 38 O THR A 4 -12.968 -3.089 7.128 1.00 0.00 O ATOM 39 CB THR A 4 -15.089 -3.775 8.904 1.00 0.00 C ATOM 40 OG1 THR A 4 -16.215 -3.204 9.584 1.00 0.00 O ATOM 41 CG2 THR A 4 -15.056 -5.276 9.152 1.00 0.00 C ATOM 0 H THR A 4 -14.329 -1.136 8.919 1.00 0.00 H new ATOM 0 HA THR A 4 -13.452 -3.600 10.300 1.00 0.00 H new ATOM 0 HB THR A 4 -15.178 -3.603 7.831 1.00 0.00 H new ATOM 0 HG1 THR A 4 -17.038 -3.633 9.270 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.985 -5.724 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.215 -5.715 8.615 1.00 0.00 H new ATOM 0 HG23 THR A 4 -14.944 -5.466 10.219 1.00 0.00 H new ATOM 49 N ALA A 5 -11.487 -3.524 8.757 1.00 0.00 N ATOM 50 CA ALA A 5 -10.376 -3.692 7.834 1.00 0.00 C ATOM 51 C ALA A 5 -10.124 -5.170 7.556 1.00 0.00 C ATOM 52 O ALA A 5 -9.856 -5.946 8.474 1.00 0.00 O ATOM 53 CB ALA A 5 -9.125 -3.028 8.387 1.00 0.00 C ATOM 0 H ALA A 5 -11.242 -3.637 9.741 1.00 0.00 H new ATOM 0 HA ALA A 5 -10.635 -3.210 6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -8.302 -3.162 7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -9.311 -1.963 8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -8.864 -3.482 9.343 1.00 0.00 H new ATOM 59 N THR A 6 -10.236 -5.561 6.295 1.00 0.00 N ATOM 60 CA THR A 6 -10.017 -6.945 5.901 1.00 0.00 C ATOM 61 C THR A 6 -9.036 -7.030 4.740 1.00 0.00 C ATOM 62 O THR A 6 -9.375 -6.718 3.599 1.00 0.00 O ATOM 63 CB THR A 6 -11.337 -7.623 5.492 1.00 0.00 C ATOM 64 OG1 THR A 6 -12.318 -6.626 5.180 1.00 0.00 O ATOM 65 CG2 THR A 6 -11.863 -8.523 6.599 1.00 0.00 C ATOM 0 H THR A 6 -10.478 -4.937 5.525 1.00 0.00 H new ATOM 0 HA THR A 6 -9.602 -7.464 6.765 1.00 0.00 H new ATOM 0 HB THR A 6 -11.141 -8.239 4.614 1.00 0.00 H new ATOM 0 HG1 THR A 6 -11.929 -5.963 4.572 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.796 -8.987 6.279 1.00 0.00 H new ATOM 0 HG22 THR A 6 -11.129 -9.298 6.817 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.042 -7.930 7.496 1.00 0.00 H new ATOM 73 N VAL A 7 -7.817 -7.439 5.031 1.00 0.00 N ATOM 74 CA VAL A 7 -6.802 -7.555 3.999 1.00 0.00 C ATOM 75 C VAL A 7 -6.251 -8.976 3.938 1.00 0.00 C ATOM 76 O VAL A 7 -6.142 -9.656 4.957 1.00 0.00 O ATOM 77 CB VAL A 7 -5.645 -6.557 4.218 1.00 0.00 C ATOM 78 CG1 VAL A 7 -6.153 -5.126 4.179 1.00 0.00 C ATOM 79 CG2 VAL A 7 -4.925 -6.824 5.529 1.00 0.00 C ATOM 0 H VAL A 7 -7.505 -7.696 5.968 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.283 -7.315 3.051 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.932 -6.697 3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.321 -4.440 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.609 -4.928 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.895 -4.982 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.116 -6.104 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.628 -6.726 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.514 -7.834 5.519 1.00 0.00 H new ATOM 89 N THR A 8 -5.924 -9.423 2.737 1.00 0.00 N ATOM 90 CA THR A 8 -5.377 -10.754 2.541 1.00 0.00 C ATOM 91 C THR A 8 -3.853 -10.678 2.449 1.00 0.00 C ATOM 92 O THR A 8 -3.307 -10.222 1.444 1.00 0.00 O ATOM 93 CB THR A 8 -5.947 -11.404 1.267 1.00 0.00 C ATOM 94 OG1 THR A 8 -7.373 -11.230 1.229 1.00 0.00 O ATOM 95 CG2 THR A 8 -5.613 -12.886 1.219 1.00 0.00 C ATOM 0 H THR A 8 -6.029 -8.880 1.880 1.00 0.00 H new ATOM 0 HA THR A 8 -5.660 -11.371 3.394 1.00 0.00 H new ATOM 0 HB THR A 8 -5.495 -10.919 0.402 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.750 -11.775 0.507 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.026 -13.323 0.310 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.531 -13.015 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.042 -13.384 2.088 1.00 0.00 H new ATOM 103 N PRO A 9 -3.149 -11.102 3.509 1.00 0.00 N ATOM 104 CA PRO A 9 -1.688 -11.059 3.551 1.00 0.00 C ATOM 105 C PRO A 9 -1.045 -12.133 2.677 1.00 0.00 C ATOM 106 O PRO A 9 -1.550 -13.251 2.566 1.00 0.00 O ATOM 107 CB PRO A 9 -1.370 -11.301 5.027 1.00 0.00 C ATOM 108 CG PRO A 9 -2.515 -12.107 5.533 1.00 0.00 C ATOM 109 CD PRO A 9 -3.721 -11.662 4.749 1.00 0.00 C ATOM 0 HA PRO A 9 -1.297 -10.117 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.427 -11.834 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.276 -10.361 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.332 -13.173 5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.663 -11.945 6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.391 -12.495 4.539 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.300 -10.917 5.295 1.00 0.00 H new ATOM 117 N SER A 10 0.071 -11.785 2.058 1.00 0.00 N ATOM 118 CA SER A 10 0.794 -12.708 1.195 1.00 0.00 C ATOM 119 C SER A 10 1.956 -13.359 1.945 1.00 0.00 C ATOM 120 O SER A 10 2.985 -13.685 1.357 1.00 0.00 O ATOM 121 CB SER A 10 1.312 -11.959 -0.031 1.00 0.00 C ATOM 122 OG SER A 10 0.419 -10.919 -0.402 1.00 0.00 O ATOM 0 H SER A 10 0.500 -10.863 2.137 1.00 0.00 H new ATOM 0 HA SER A 10 0.113 -13.498 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.296 -11.541 0.182 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.434 -12.653 -0.862 1.00 0.00 H new ATOM 0 HG SER A 10 -0.136 -11.217 -1.152 1.00 0.00 H new ATOM 128 N SER A 11 1.779 -13.540 3.247 1.00 0.00 N ATOM 129 CA SER A 11 2.798 -14.145 4.089 1.00 0.00 C ATOM 130 C SER A 11 3.065 -15.587 3.659 1.00 0.00 C ATOM 131 O SER A 11 2.223 -16.464 3.848 1.00 0.00 O ATOM 132 CB SER A 11 2.332 -14.105 5.543 1.00 0.00 C ATOM 133 OG SER A 11 1.582 -12.923 5.795 1.00 0.00 O ATOM 0 H SER A 11 0.930 -13.273 3.745 1.00 0.00 H new ATOM 0 HA SER A 11 3.727 -13.585 3.987 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.722 -14.982 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.194 -14.144 6.208 1.00 0.00 H new ATOM 0 HG SER A 11 1.290 -12.914 6.730 1.00 0.00 H new ATOM 139 N GLY A 12 4.227 -15.820 3.062 1.00 0.00 N ATOM 140 CA GLY A 12 4.573 -17.156 2.619 1.00 0.00 C ATOM 141 C GLY A 12 4.436 -17.317 1.119 1.00 0.00 C ATOM 142 O GLY A 12 4.738 -18.375 0.571 1.00 0.00 O ATOM 0 H GLY A 12 4.935 -15.109 2.877 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.598 -17.380 2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 12 3.931 -17.880 3.120 1.00 0.00 H new ATOM 146 N LEU A 13 3.983 -16.270 0.448 1.00 0.00 N ATOM 147 CA LEU A 13 3.820 -16.309 -0.998 1.00 0.00 C ATOM 148 C LEU A 13 4.979 -15.578 -1.664 1.00 0.00 C ATOM 149 O LEU A 13 5.644 -14.766 -1.027 1.00 0.00 O ATOM 150 CB LEU A 13 2.474 -15.699 -1.403 1.00 0.00 C ATOM 151 CG LEU A 13 1.250 -16.531 -1.013 1.00 0.00 C ATOM 152 CD1 LEU A 13 -0.030 -15.734 -1.204 1.00 0.00 C ATOM 153 CD2 LEU A 13 1.205 -17.808 -1.832 1.00 0.00 C ATOM 0 H LEU A 13 3.722 -15.384 0.880 1.00 0.00 H new ATOM 0 HA LEU A 13 3.827 -17.346 -1.333 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.386 -14.713 -0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.467 -15.553 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 13 1.333 -16.791 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.886 -16.347 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.000 -14.841 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.124 -15.442 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.330 -18.393 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.145 -17.559 -2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.107 -18.391 -1.647 1.00 0.00 H new ATOM 165 N SER A 14 5.230 -15.878 -2.926 1.00 0.00 N ATOM 166 CA SER A 14 6.329 -15.258 -3.656 1.00 0.00 C ATOM 167 C SER A 14 5.889 -13.962 -4.342 1.00 0.00 C ATOM 168 O SER A 14 4.771 -13.491 -4.141 1.00 0.00 O ATOM 169 CB SER A 14 6.879 -16.246 -4.684 1.00 0.00 C ATOM 170 OG SER A 14 6.924 -17.559 -4.146 1.00 0.00 O ATOM 0 H SER A 14 4.688 -16.549 -3.471 1.00 0.00 H new ATOM 0 HA SER A 14 7.112 -14.999 -2.943 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.254 -16.235 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.879 -15.939 -4.991 1.00 0.00 H new ATOM 0 HG SER A 14 6.055 -17.994 -4.273 1.00 0.00 H new ATOM 176 N ASP A 15 6.781 -13.390 -5.145 1.00 0.00 N ATOM 177 CA ASP A 15 6.495 -12.150 -5.863 1.00 0.00 C ATOM 178 C ASP A 15 5.476 -12.388 -6.973 1.00 0.00 C ATOM 179 O ASP A 15 5.332 -13.506 -7.473 1.00 0.00 O ATOM 180 CB ASP A 15 7.782 -11.566 -6.457 1.00 0.00 C ATOM 181 CG ASP A 15 8.312 -12.388 -7.616 1.00 0.00 C ATOM 182 OD1 ASP A 15 8.944 -13.436 -7.367 1.00 0.00 O ATOM 183 OD2 ASP A 15 8.105 -11.989 -8.780 1.00 0.00 O ATOM 0 H ASP A 15 7.713 -13.767 -5.316 1.00 0.00 H new ATOM 0 HA ASP A 15 6.076 -11.438 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.593 -10.547 -6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.543 -11.507 -5.679 1.00 0.00 H new ATOM 188 N GLY A 16 4.773 -11.331 -7.356 1.00 0.00 N ATOM 189 CA GLY A 16 3.765 -11.442 -8.391 1.00 0.00 C ATOM 190 C GLY A 16 2.424 -11.836 -7.818 1.00 0.00 C ATOM 191 O GLY A 16 1.462 -12.059 -8.553 1.00 0.00 O ATOM 0 H GLY A 16 4.884 -10.395 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.673 -10.490 -8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.078 -12.182 -9.128 1.00 0.00 H new ATOM 195 N THR A 17 2.369 -11.912 -6.497 1.00 0.00 N ATOM 196 CA THR A 17 1.156 -12.282 -5.797 1.00 0.00 C ATOM 197 C THR A 17 0.179 -11.110 -5.730 1.00 0.00 C ATOM 198 O THR A 17 0.573 -9.965 -5.483 1.00 0.00 O ATOM 199 CB THR A 17 1.477 -12.783 -4.373 1.00 0.00 C ATOM 200 OG1 THR A 17 2.216 -14.011 -4.446 1.00 0.00 O ATOM 201 CG2 THR A 17 0.210 -13.001 -3.558 1.00 0.00 C ATOM 0 H THR A 17 3.162 -11.719 -5.885 1.00 0.00 H new ATOM 0 HA THR A 17 0.686 -13.091 -6.357 1.00 0.00 H new ATOM 0 HB THR A 17 2.073 -12.018 -3.876 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.172 -13.825 -4.335 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.475 -13.354 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.337 -12.062 -3.477 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.417 -13.744 -4.051 1.00 0.00 H new ATOM 209 N VAL A 18 -1.089 -11.409 -5.978 1.00 0.00 N ATOM 210 CA VAL A 18 -2.145 -10.413 -5.941 1.00 0.00 C ATOM 211 C VAL A 18 -2.649 -10.224 -4.513 1.00 0.00 C ATOM 212 O VAL A 18 -3.290 -11.110 -3.946 1.00 0.00 O ATOM 213 CB VAL A 18 -3.325 -10.819 -6.855 1.00 0.00 C ATOM 214 CG1 VAL A 18 -4.461 -9.814 -6.756 1.00 0.00 C ATOM 215 CG2 VAL A 18 -2.861 -10.954 -8.298 1.00 0.00 C ATOM 0 H VAL A 18 -1.412 -12.348 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.728 -9.474 -6.305 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.696 -11.786 -6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.278 -10.123 -7.408 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.816 -9.767 -5.727 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.104 -8.830 -7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.705 -11.240 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.459 -10.001 -8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.086 -11.718 -8.361 1.00 0.00 H new ATOM 225 N VAL A 19 -2.325 -9.081 -3.932 1.00 0.00 N ATOM 226 CA VAL A 19 -2.747 -8.751 -2.577 1.00 0.00 C ATOM 227 C VAL A 19 -4.150 -8.150 -2.599 1.00 0.00 C ATOM 228 O VAL A 19 -4.420 -7.236 -3.378 1.00 0.00 O ATOM 229 CB VAL A 19 -1.780 -7.742 -1.912 1.00 0.00 C ATOM 230 CG1 VAL A 19 -2.096 -7.577 -0.431 1.00 0.00 C ATOM 231 CG2 VAL A 19 -0.333 -8.172 -2.114 1.00 0.00 C ATOM 0 H VAL A 19 -1.765 -8.357 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.742 -9.674 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.918 -6.774 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.402 -6.863 0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.116 -7.211 -0.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.996 -8.539 0.072 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.331 -7.450 -1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.180 -9.154 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.113 -8.220 -3.181 1.00 0.00 H new ATOM 241 N LYS A 20 -5.037 -8.667 -1.759 1.00 0.00 N ATOM 242 CA LYS A 20 -6.410 -8.171 -1.699 1.00 0.00 C ATOM 243 C LYS A 20 -6.607 -7.256 -0.494 1.00 0.00 C ATOM 244 O LYS A 20 -6.367 -7.652 0.648 1.00 0.00 O ATOM 245 CB LYS A 20 -7.405 -9.333 -1.629 1.00 0.00 C ATOM 246 CG LYS A 20 -8.863 -8.888 -1.557 1.00 0.00 C ATOM 247 CD LYS A 20 -9.785 -10.036 -1.176 1.00 0.00 C ATOM 248 CE LYS A 20 -9.891 -11.067 -2.289 1.00 0.00 C ATOM 249 NZ LYS A 20 -10.781 -12.198 -1.913 1.00 0.00 N ATOM 0 H LYS A 20 -4.833 -9.428 -1.111 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.594 -7.600 -2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.271 -9.968 -2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.177 -9.943 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.962 -8.084 -0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.167 -8.482 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.414 -10.515 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.776 -9.645 -0.946 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.272 -10.589 -3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.898 -11.449 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.827 -12.879 -2.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.404 -12.670 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.735 -11.837 -1.712 1.00 0.00 H new ATOM 263 N VAL A 21 -7.047 -6.036 -0.759 1.00 0.00 N ATOM 264 CA VAL A 21 -7.294 -5.062 0.291 1.00 0.00 C ATOM 265 C VAL A 21 -8.756 -4.630 0.271 1.00 0.00 C ATOM 266 O VAL A 21 -9.195 -3.954 -0.662 1.00 0.00 O ATOM 267 CB VAL A 21 -6.387 -3.823 0.134 1.00 0.00 C ATOM 268 CG1 VAL A 21 -6.737 -2.759 1.164 1.00 0.00 C ATOM 269 CG2 VAL A 21 -4.923 -4.220 0.244 1.00 0.00 C ATOM 0 H VAL A 21 -7.242 -5.695 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.065 -5.536 1.245 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.556 -3.399 -0.856 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.084 -1.896 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.775 -2.452 1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.604 -3.165 2.167 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.297 -3.335 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.741 -4.672 1.219 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.681 -4.938 -0.539 1.00 0.00 H new ATOM 279 N ALA A 22 -9.506 -5.039 1.289 1.00 0.00 N ATOM 280 CA ALA A 22 -10.920 -4.698 1.391 1.00 0.00 C ATOM 281 C ALA A 22 -11.205 -3.934 2.680 1.00 0.00 C ATOM 282 O ALA A 22 -11.182 -4.501 3.774 1.00 0.00 O ATOM 283 CB ALA A 22 -11.772 -5.956 1.318 1.00 0.00 C ATOM 0 H ALA A 22 -9.156 -5.610 2.058 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.177 -4.052 0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.825 -5.687 1.395 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.595 -6.461 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.507 -6.623 2.138 1.00 0.00 H new ATOM 289 N GLY A 23 -11.466 -2.647 2.545 1.00 0.00 N ATOM 290 CA GLY A 23 -11.749 -1.827 3.701 1.00 0.00 C ATOM 291 C GLY A 23 -13.198 -1.393 3.763 1.00 0.00 C ATOM 292 O GLY A 23 -13.724 -0.823 2.806 1.00 0.00 O ATOM 0 H GLY A 23 -11.487 -2.153 1.653 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.500 -2.382 4.606 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.109 -0.945 3.682 1.00 0.00 H new ATOM 296 N ALA A 24 -13.841 -1.676 4.883 1.00 0.00 N ATOM 297 CA ALA A 24 -15.229 -1.305 5.090 1.00 0.00 C ATOM 298 C ALA A 24 -15.332 -0.341 6.260 1.00 0.00 C ATOM 299 O ALA A 24 -14.586 -0.452 7.235 1.00 0.00 O ATOM 300 CB ALA A 24 -16.084 -2.540 5.332 1.00 0.00 C ATOM 0 H ALA A 24 -13.418 -2.167 5.670 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.602 -0.811 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -17.121 -2.240 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.021 -3.201 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -15.724 -3.064 6.217 1.00 0.00 H new ATOM 306 N GLY A 25 -16.255 0.601 6.162 1.00 0.00 N ATOM 307 CA GLY A 25 -16.415 1.584 7.212 1.00 0.00 C ATOM 308 C GLY A 25 -15.510 2.773 6.982 1.00 0.00 C ATOM 309 O GLY A 25 -15.094 3.449 7.923 1.00 0.00 O ATOM 0 H GLY A 25 -16.896 0.703 5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.453 1.914 7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.188 1.131 8.177 1.00 0.00 H new ATOM 313 N LEU A 26 -15.209 3.016 5.716 1.00 0.00 N ATOM 314 CA LEU A 26 -14.343 4.111 5.320 1.00 0.00 C ATOM 315 C LEU A 26 -15.151 5.384 5.082 1.00 0.00 C ATOM 316 O LEU A 26 -16.338 5.447 5.405 1.00 0.00 O ATOM 317 CB LEU A 26 -13.573 3.726 4.054 1.00 0.00 C ATOM 318 CG LEU A 26 -12.595 2.562 4.212 1.00 0.00 C ATOM 319 CD1 LEU A 26 -11.970 2.211 2.874 1.00 0.00 C ATOM 320 CD2 LEU A 26 -11.518 2.905 5.228 1.00 0.00 C ATOM 0 H LEU A 26 -15.559 2.459 4.936 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.636 4.306 6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.292 3.472 3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.020 4.598 3.705 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.146 1.695 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.276 1.380 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.752 1.924 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.432 3.076 2.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.831 2.065 5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.969 3.785 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.981 3.111 6.193 1.00 0.00 H new ATOM 332 N GLN A 27 -14.505 6.395 4.521 1.00 0.00 N ATOM 333 CA GLN A 27 -15.163 7.659 4.246 1.00 0.00 C ATOM 334 C GLN A 27 -15.645 7.700 2.803 1.00 0.00 C ATOM 335 O GLN A 27 -14.842 7.788 1.871 1.00 0.00 O ATOM 336 CB GLN A 27 -14.209 8.819 4.520 1.00 0.00 C ATOM 337 CG GLN A 27 -14.903 10.153 4.714 1.00 0.00 C ATOM 338 CD GLN A 27 -15.758 10.191 5.967 1.00 0.00 C ATOM 339 OE1 GLN A 27 -15.478 9.499 6.948 1.00 0.00 O ATOM 340 NE2 GLN A 27 -16.801 11.007 5.950 1.00 0.00 N ATOM 0 H GLN A 27 -13.523 6.362 4.247 1.00 0.00 H new ATOM 0 HA GLN A 27 -16.027 7.755 4.903 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.624 8.592 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.507 8.903 3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.154 10.943 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.528 10.362 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.000 11.564 5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -17.406 11.079 6.768 1.00 0.00 H new ATOM 349 N ALA A 28 -16.956 7.619 2.631 1.00 0.00 N ATOM 350 CA ALA A 28 -17.570 7.636 1.310 1.00 0.00 C ATOM 351 C ALA A 28 -17.238 8.923 0.559 1.00 0.00 C ATOM 352 O ALA A 28 -17.662 10.010 0.952 1.00 0.00 O ATOM 353 CB ALA A 28 -19.078 7.470 1.435 1.00 0.00 C ATOM 0 H ALA A 28 -17.622 7.540 3.399 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.164 6.803 0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -19.529 7.484 0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -19.300 6.520 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -19.486 8.287 2.030 1.00 0.00 H new ATOM 359 N GLY A 29 -16.479 8.790 -0.521 1.00 0.00 N ATOM 360 CA GLY A 29 -16.108 9.944 -1.314 1.00 0.00 C ATOM 361 C GLY A 29 -14.608 10.153 -1.390 1.00 0.00 C ATOM 362 O GLY A 29 -14.094 10.611 -2.414 1.00 0.00 O ATOM 0 H GLY A 29 -16.113 7.901 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.505 9.828 -2.323 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.572 10.834 -0.890 1.00 0.00 H new ATOM 366 N THR A 30 -13.900 9.822 -0.318 1.00 0.00 N ATOM 367 CA THR A 30 -12.455 9.994 -0.283 1.00 0.00 C ATOM 368 C THR A 30 -11.745 8.813 -0.927 1.00 0.00 C ATOM 369 O THR A 30 -12.203 7.669 -0.828 1.00 0.00 O ATOM 370 CB THR A 30 -11.937 10.168 1.158 1.00 0.00 C ATOM 371 OG1 THR A 30 -12.403 9.093 1.987 1.00 0.00 O ATOM 372 CG2 THR A 30 -12.389 11.495 1.745 1.00 0.00 C ATOM 0 H THR A 30 -14.302 9.434 0.536 1.00 0.00 H new ATOM 0 HA THR A 30 -12.235 10.900 -0.848 1.00 0.00 H new ATOM 0 HB THR A 30 -10.848 10.155 1.125 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.234 8.730 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.009 11.591 2.762 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.004 12.312 1.135 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.478 11.534 1.759 1.00 0.00 H new ATOM 380 N ALA A 31 -10.629 9.096 -1.580 1.00 0.00 N ATOM 381 CA ALA A 31 -9.845 8.069 -2.237 1.00 0.00 C ATOM 382 C ALA A 31 -8.649 7.685 -1.378 1.00 0.00 C ATOM 383 O ALA A 31 -8.170 8.482 -0.565 1.00 0.00 O ATOM 384 CB ALA A 31 -9.395 8.542 -3.610 1.00 0.00 C ATOM 0 H ALA A 31 -10.246 10.037 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.469 7.185 -2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.808 7.759 -4.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.269 8.767 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.786 9.440 -3.504 1.00 0.00 H new ATOM 390 N TYR A 32 -8.176 6.464 -1.555 1.00 0.00 N ATOM 391 CA TYR A 32 -7.048 5.958 -0.795 1.00 0.00 C ATOM 392 C TYR A 32 -5.953 5.470 -1.733 1.00 0.00 C ATOM 393 O TYR A 32 -6.223 5.083 -2.871 1.00 0.00 O ATOM 394 CB TYR A 32 -7.493 4.814 0.129 1.00 0.00 C ATOM 395 CG TYR A 32 -8.615 5.189 1.076 1.00 0.00 C ATOM 396 CD1 TYR A 32 -9.942 5.170 0.662 1.00 0.00 C ATOM 397 CD2 TYR A 32 -8.343 5.571 2.384 1.00 0.00 C ATOM 398 CE1 TYR A 32 -10.964 5.521 1.522 1.00 0.00 C ATOM 399 CE2 TYR A 32 -9.360 5.923 3.249 1.00 0.00 C ATOM 400 CZ TYR A 32 -10.667 5.899 2.814 1.00 0.00 C ATOM 401 OH TYR A 32 -11.681 6.255 3.677 1.00 0.00 O ATOM 0 H TYR A 32 -8.561 5.799 -2.226 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.654 6.770 -0.184 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -7.814 3.971 -0.482 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.636 4.477 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.178 4.876 -0.350 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -7.320 5.593 2.729 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.990 5.499 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.132 6.216 4.263 1.00 0.00 H new ATOM 0 HH TYR A 32 -11.301 6.493 4.548 1.00 0.00 H new ATOM 411 N ASP A 33 -4.722 5.515 -1.256 1.00 0.00 N ATOM 412 CA ASP A 33 -3.575 5.064 -2.028 1.00 0.00 C ATOM 413 C ASP A 33 -3.006 3.816 -1.382 1.00 0.00 C ATOM 414 O ASP A 33 -2.477 3.871 -0.268 1.00 0.00 O ATOM 415 CB ASP A 33 -2.498 6.149 -2.105 1.00 0.00 C ATOM 416 CG ASP A 33 -2.766 7.153 -3.207 1.00 0.00 C ATOM 417 OD1 ASP A 33 -3.629 8.038 -3.022 1.00 0.00 O ATOM 418 OD2 ASP A 33 -2.112 7.068 -4.265 1.00 0.00 O ATOM 0 H ASP A 33 -4.488 5.864 -0.326 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.900 4.844 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.442 6.670 -1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.527 5.682 -2.271 1.00 0.00 H new ATOM 423 N VAL A 34 -3.146 2.688 -2.060 1.00 0.00 N ATOM 424 CA VAL A 34 -2.663 1.424 -1.529 1.00 0.00 C ATOM 425 C VAL A 34 -1.653 0.771 -2.469 1.00 0.00 C ATOM 426 O VAL A 34 -1.937 0.557 -3.648 1.00 0.00 O ATOM 427 CB VAL A 34 -3.825 0.438 -1.274 1.00 0.00 C ATOM 428 CG1 VAL A 34 -3.362 -0.722 -0.409 1.00 0.00 C ATOM 429 CG2 VAL A 34 -5.012 1.146 -0.633 1.00 0.00 C ATOM 0 H VAL A 34 -3.589 2.622 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.173 1.652 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.149 0.042 -2.237 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.194 -1.405 -0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.554 -1.252 -0.913 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.005 -0.342 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.816 0.429 -0.464 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.706 1.579 0.319 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.364 1.937 -1.295 1.00 0.00 H new ATOM 439 N GLY A 35 -0.467 0.481 -1.943 1.00 0.00 N ATOM 440 CA GLY A 35 0.567 -0.167 -2.726 1.00 0.00 C ATOM 441 C GLY A 35 1.557 -0.888 -1.835 1.00 0.00 C ATOM 442 O GLY A 35 1.386 -0.913 -0.614 1.00 0.00 O ATOM 0 H GLY A 35 -0.203 0.686 -0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.112 -0.876 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.090 0.576 -3.329 1.00 0.00 H new ATOM 446 N GLN A 36 2.575 -1.492 -2.426 1.00 0.00 N ATOM 447 CA GLN A 36 3.585 -2.184 -1.644 1.00 0.00 C ATOM 448 C GLN A 36 4.632 -1.173 -1.201 1.00 0.00 C ATOM 449 O GLN A 36 5.247 -0.498 -2.025 1.00 0.00 O ATOM 450 CB GLN A 36 4.237 -3.325 -2.438 1.00 0.00 C ATOM 451 CG GLN A 36 4.760 -2.909 -3.802 1.00 0.00 C ATOM 452 CD GLN A 36 5.706 -3.921 -4.413 1.00 0.00 C ATOM 453 OE1 GLN A 36 5.735 -4.099 -5.627 1.00 0.00 O ATOM 454 NE2 GLN A 36 6.499 -4.582 -3.582 1.00 0.00 N ATOM 0 H GLN A 36 2.723 -1.517 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 36 3.110 -2.637 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.061 -3.735 -1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.509 -4.126 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.917 -2.756 -4.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.272 -1.951 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.446 -4.407 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.162 -5.266 -3.946 1.00 0.00 H new ATOM 463 N CYS A 37 4.809 -1.048 0.097 1.00 0.00 N ATOM 464 CA CYS A 37 5.756 -0.097 0.638 1.00 0.00 C ATOM 465 C CYS A 37 6.730 -0.768 1.592 1.00 0.00 C ATOM 466 O CYS A 37 6.456 -1.843 2.129 1.00 0.00 O ATOM 467 CB CYS A 37 5.005 1.020 1.363 1.00 0.00 C ATOM 468 SG CYS A 37 3.340 1.342 0.696 1.00 0.00 S ATOM 0 H CYS A 37 4.308 -1.594 0.798 1.00 0.00 H new ATOM 0 HA CYS A 37 6.329 0.321 -0.189 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.919 0.762 2.418 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.592 1.936 1.306 1.00 0.00 H new ATOM 473 N ALA A 38 7.874 -0.136 1.780 1.00 0.00 N ATOM 474 CA ALA A 38 8.897 -0.643 2.676 1.00 0.00 C ATOM 475 C ALA A 38 9.780 0.505 3.132 1.00 0.00 C ATOM 476 O ALA A 38 9.589 1.648 2.700 1.00 0.00 O ATOM 477 CB ALA A 38 9.725 -1.724 1.998 1.00 0.00 C ATOM 0 H ALA A 38 8.120 0.740 1.318 1.00 0.00 H new ATOM 0 HA ALA A 38 8.417 -1.093 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.485 -2.088 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.076 -2.549 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 38 10.208 -1.311 1.113 1.00 0.00 H new ATOM 483 N TRP A 39 10.733 0.210 4.002 1.00 0.00 N ATOM 484 CA TRP A 39 11.642 1.226 4.511 1.00 0.00 C ATOM 485 C TRP A 39 12.485 1.813 3.382 1.00 0.00 C ATOM 486 O TRP A 39 13.256 1.105 2.728 1.00 0.00 O ATOM 487 CB TRP A 39 12.542 0.633 5.591 1.00 0.00 C ATOM 488 CG TRP A 39 12.239 1.153 6.965 1.00 0.00 C ATOM 489 CD1 TRP A 39 11.028 1.142 7.598 1.00 0.00 C ATOM 490 CD2 TRP A 39 13.164 1.762 7.874 1.00 0.00 C ATOM 491 NE1 TRP A 39 11.143 1.710 8.843 1.00 0.00 N ATOM 492 CE2 TRP A 39 12.446 2.096 9.038 1.00 0.00 C ATOM 493 CE3 TRP A 39 14.532 2.055 7.820 1.00 0.00 C ATOM 494 CZ2 TRP A 39 13.047 2.713 10.133 1.00 0.00 C ATOM 495 CZ3 TRP A 39 15.126 2.666 8.907 1.00 0.00 C ATOM 496 CH2 TRP A 39 14.385 2.989 10.052 1.00 0.00 C ATOM 0 H TRP A 39 10.898 -0.726 4.371 1.00 0.00 H new ATOM 0 HA TRP A 39 11.050 2.030 4.948 1.00 0.00 H new ATOM 0 HB2 TRP A 39 12.435 -0.452 5.588 1.00 0.00 H new ATOM 0 HB3 TRP A 39 13.582 0.851 5.348 1.00 0.00 H new ATOM 0 HD1 TRP A 39 10.115 0.745 7.180 1.00 0.00 H new ATOM 0 HE1 TRP A 39 10.384 1.826 9.514 1.00 0.00 H new ATOM 0 HE3 TRP A 39 15.113 1.808 6.944 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 12.477 2.965 11.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 16.180 2.899 8.874 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.879 3.465 10.886 1.00 0.00 H new ATOM 507 N VAL A 40 12.325 3.110 3.155 1.00 0.00 N ATOM 508 CA VAL A 40 13.062 3.800 2.104 1.00 0.00 C ATOM 509 C VAL A 40 14.177 4.659 2.702 1.00 0.00 C ATOM 510 O VAL A 40 15.141 5.016 2.020 1.00 0.00 O ATOM 511 CB VAL A 40 12.116 4.674 1.238 1.00 0.00 C ATOM 512 CG1 VAL A 40 11.823 6.017 1.894 1.00 0.00 C ATOM 513 CG2 VAL A 40 12.692 4.876 -0.152 1.00 0.00 C ATOM 0 H VAL A 40 11.690 3.707 3.686 1.00 0.00 H new ATOM 0 HA VAL A 40 13.511 3.043 1.460 1.00 0.00 H new ATOM 0 HB VAL A 40 11.171 4.138 1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.157 6.597 1.254 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.346 5.854 2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.755 6.563 2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.012 5.491 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.659 5.373 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.819 3.908 -0.637 1.00 0.00 H new ATOM 523 N ASP A 41 14.038 4.973 3.982 1.00 0.00 N ATOM 524 CA ASP A 41 15.013 5.783 4.699 1.00 0.00 C ATOM 525 C ASP A 41 14.808 5.598 6.194 1.00 0.00 C ATOM 526 O ASP A 41 13.891 4.889 6.611 1.00 0.00 O ATOM 527 CB ASP A 41 14.860 7.265 4.335 1.00 0.00 C ATOM 528 CG ASP A 41 16.176 8.020 4.363 1.00 0.00 C ATOM 529 OD1 ASP A 41 16.974 7.814 5.299 1.00 0.00 O ATOM 530 OD2 ASP A 41 16.417 8.830 3.445 1.00 0.00 O ATOM 0 H ASP A 41 13.247 4.674 4.553 1.00 0.00 H new ATOM 0 HA ASP A 41 16.016 5.463 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.422 7.346 3.340 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.163 7.734 5.029 1.00 0.00 H new ATOM 535 N THR A 42 15.639 6.239 6.994 1.00 0.00 N ATOM 536 CA THR A 42 15.541 6.139 8.440 1.00 0.00 C ATOM 537 C THR A 42 14.293 6.857 8.955 1.00 0.00 C ATOM 538 O THR A 42 14.297 8.071 9.154 1.00 0.00 O ATOM 539 CB THR A 42 16.794 6.728 9.114 1.00 0.00 C ATOM 540 OG1 THR A 42 17.954 6.419 8.329 1.00 0.00 O ATOM 541 CG2 THR A 42 16.974 6.171 10.516 1.00 0.00 C ATOM 0 H THR A 42 16.395 6.839 6.665 1.00 0.00 H new ATOM 0 HA THR A 42 15.466 5.082 8.694 1.00 0.00 H new ATOM 0 HB THR A 42 16.667 7.808 9.184 1.00 0.00 H new ATOM 0 HG1 THR A 42 18.750 6.796 8.759 1.00 0.00 H new ATOM 0 HG21 THR A 42 17.866 6.604 10.968 1.00 0.00 H new ATOM 0 HG22 THR A 42 16.103 6.421 11.121 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.082 5.088 10.466 1.00 0.00 H new ATOM 549 N GLY A 43 13.218 6.095 9.130 1.00 0.00 N ATOM 550 CA GLY A 43 11.972 6.655 9.619 1.00 0.00 C ATOM 551 C GLY A 43 11.009 6.982 8.498 1.00 0.00 C ATOM 552 O GLY A 43 9.864 7.358 8.740 1.00 0.00 O ATOM 0 H GLY A 43 13.188 5.093 8.940 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.503 5.948 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.182 7.560 10.190 1.00 0.00 H new ATOM 556 N VAL A 44 11.468 6.823 7.263 1.00 0.00 N ATOM 557 CA VAL A 44 10.638 7.117 6.104 1.00 0.00 C ATOM 558 C VAL A 44 10.440 5.865 5.255 1.00 0.00 C ATOM 559 O VAL A 44 11.377 5.094 5.039 1.00 0.00 O ATOM 560 CB VAL A 44 11.257 8.232 5.229 1.00 0.00 C ATOM 561 CG1 VAL A 44 10.261 8.727 4.190 1.00 0.00 C ATOM 562 CG2 VAL A 44 11.743 9.389 6.090 1.00 0.00 C ATOM 0 H VAL A 44 12.407 6.493 7.040 1.00 0.00 H new ATOM 0 HA VAL A 44 9.674 7.463 6.478 1.00 0.00 H new ATOM 0 HB VAL A 44 12.114 7.807 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 44 10.722 9.510 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.967 7.899 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 9.380 9.126 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 44 12.174 10.161 5.453 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.904 9.806 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 12.500 9.030 6.788 1.00 0.00 H new ATOM 572 N LEU A 45 9.220 5.664 4.790 1.00 0.00 N ATOM 573 CA LEU A 45 8.891 4.518 3.962 1.00 0.00 C ATOM 574 C LEU A 45 8.431 5.009 2.599 1.00 0.00 C ATOM 575 O LEU A 45 8.254 6.208 2.407 1.00 0.00 O ATOM 576 CB LEU A 45 7.805 3.665 4.626 1.00 0.00 C ATOM 577 CG LEU A 45 8.208 3.021 5.955 1.00 0.00 C ATOM 578 CD1 LEU A 45 7.891 3.947 7.122 1.00 0.00 C ATOM 579 CD2 LEU A 45 7.512 1.679 6.130 1.00 0.00 C ATOM 0 H LEU A 45 8.434 6.287 4.974 1.00 0.00 H new ATOM 0 HA LEU A 45 9.775 3.892 3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.927 4.289 4.794 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.509 2.877 3.933 1.00 0.00 H new ATOM 0 HG LEU A 45 9.285 2.851 5.940 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.186 3.469 8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.439 4.882 7.004 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.821 4.154 7.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.810 1.236 7.080 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.432 1.825 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.795 1.013 5.314 1.00 0.00 H new ATOM 591 N ALA A 46 8.268 4.104 1.648 1.00 0.00 N ATOM 592 CA ALA A 46 7.834 4.489 0.312 1.00 0.00 C ATOM 593 C ALA A 46 7.188 3.323 -0.424 1.00 0.00 C ATOM 594 O ALA A 46 7.547 2.165 -0.198 1.00 0.00 O ATOM 595 CB ALA A 46 9.006 5.030 -0.485 1.00 0.00 C ATOM 0 H ALA A 46 8.428 3.104 1.773 1.00 0.00 H new ATOM 0 HA ALA A 46 7.083 5.272 0.418 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.668 5.314 -1.482 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.418 5.903 0.021 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.775 4.262 -0.568 1.00 0.00 H new ATOM 601 N CYS A 47 6.239 3.641 -1.297 1.00 0.00 N ATOM 602 CA CYS A 47 5.531 2.634 -2.083 1.00 0.00 C ATOM 603 C CYS A 47 5.872 2.798 -3.555 1.00 0.00 C ATOM 604 O CYS A 47 6.505 3.781 -3.937 1.00 0.00 O ATOM 605 CB CYS A 47 4.019 2.765 -1.902 1.00 0.00 C ATOM 606 SG CYS A 47 3.498 3.153 -0.202 1.00 0.00 S ATOM 0 H CYS A 47 5.939 4.598 -1.480 1.00 0.00 H new ATOM 0 HA CYS A 47 5.843 1.649 -1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 47 3.651 3.545 -2.569 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.546 1.833 -2.210 1.00 0.00 H new ATOM 611 N ASN A 48 5.442 1.849 -4.374 1.00 0.00 N ATOM 612 CA ASN A 48 5.713 1.904 -5.804 1.00 0.00 C ATOM 613 C ASN A 48 4.529 2.492 -6.571 1.00 0.00 C ATOM 614 O ASN A 48 3.375 2.162 -6.308 1.00 0.00 O ATOM 615 CB ASN A 48 6.061 0.510 -6.345 1.00 0.00 C ATOM 616 CG ASN A 48 4.901 -0.467 -6.296 1.00 0.00 C ATOM 617 OD1 ASN A 48 4.036 -0.391 -5.424 1.00 0.00 O ATOM 618 ND2 ASN A 48 4.888 -1.412 -7.223 1.00 0.00 N ATOM 0 H ASN A 48 4.906 1.034 -4.075 1.00 0.00 H new ATOM 0 HA ASN A 48 6.571 2.560 -5.953 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.403 0.604 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.893 0.103 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.143 -2.109 -7.230 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.622 -1.443 -7.930 1.00 0.00 H new ATOM 625 N PRO A 49 4.801 3.400 -7.518 1.00 0.00 N ATOM 626 CA PRO A 49 3.763 4.027 -8.332 1.00 0.00 C ATOM 627 C PRO A 49 3.447 3.217 -9.588 1.00 0.00 C ATOM 628 O PRO A 49 2.456 3.466 -10.271 1.00 0.00 O ATOM 629 CB PRO A 49 4.404 5.358 -8.704 1.00 0.00 C ATOM 630 CG PRO A 49 5.856 5.041 -8.831 1.00 0.00 C ATOM 631 CD PRO A 49 6.142 3.926 -7.850 1.00 0.00 C ATOM 0 HA PRO A 49 2.811 4.115 -7.808 1.00 0.00 H new ATOM 0 HB2 PRO A 49 3.998 5.749 -9.637 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.227 6.113 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.098 4.734 -9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.465 5.918 -8.610 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.776 3.157 -8.291 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.658 4.295 -6.964 1.00 0.00 H new ATOM 639 N ALA A 50 4.298 2.240 -9.874 1.00 0.00 N ATOM 640 CA ALA A 50 4.139 1.400 -11.051 1.00 0.00 C ATOM 641 C ALA A 50 3.042 0.355 -10.867 1.00 0.00 C ATOM 642 O ALA A 50 2.319 0.034 -11.812 1.00 0.00 O ATOM 643 CB ALA A 50 5.460 0.729 -11.382 1.00 0.00 C ATOM 0 H ALA A 50 5.110 2.010 -9.302 1.00 0.00 H new ATOM 0 HA ALA A 50 3.835 2.040 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.338 0.100 -12.264 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.215 1.490 -11.580 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.777 0.114 -10.540 1.00 0.00 H new ATOM 649 N ASP A 51 2.910 -0.169 -9.656 1.00 0.00 N ATOM 650 CA ASP A 51 1.901 -1.182 -9.386 1.00 0.00 C ATOM 651 C ASP A 51 1.117 -0.852 -8.121 1.00 0.00 C ATOM 652 O ASP A 51 1.285 -1.498 -7.088 1.00 0.00 O ATOM 653 CB ASP A 51 2.549 -2.563 -9.258 1.00 0.00 C ATOM 654 CG ASP A 51 1.890 -3.599 -10.144 1.00 0.00 C ATOM 655 OD1 ASP A 51 0.648 -3.718 -10.119 1.00 0.00 O ATOM 656 OD2 ASP A 51 2.616 -4.297 -10.883 1.00 0.00 O ATOM 0 H ASP A 51 3.483 0.088 -8.852 1.00 0.00 H new ATOM 0 HA ASP A 51 1.206 -1.194 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.606 -2.490 -9.515 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.495 -2.891 -8.220 1.00 0.00 H new ATOM 661 N PHE A 52 0.284 0.176 -8.201 1.00 0.00 N ATOM 662 CA PHE A 52 -0.536 0.581 -7.070 1.00 0.00 C ATOM 663 C PHE A 52 -1.948 0.887 -7.550 1.00 0.00 C ATOM 664 O PHE A 52 -2.155 1.221 -8.717 1.00 0.00 O ATOM 665 CB PHE A 52 0.080 1.784 -6.338 1.00 0.00 C ATOM 666 CG PHE A 52 -0.368 3.126 -6.849 1.00 0.00 C ATOM 667 CD1 PHE A 52 0.189 3.669 -7.995 1.00 0.00 C ATOM 668 CD2 PHE A 52 -1.345 3.843 -6.178 1.00 0.00 C ATOM 669 CE1 PHE A 52 -0.222 4.902 -8.464 1.00 0.00 C ATOM 670 CE2 PHE A 52 -1.759 5.075 -6.641 1.00 0.00 C ATOM 671 CZ PHE A 52 -1.198 5.605 -7.786 1.00 0.00 C ATOM 0 H PHE A 52 0.159 0.745 -9.038 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.579 -0.239 -6.353 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.167 1.713 -5.279 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.165 1.724 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.953 3.123 -8.528 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.788 3.433 -5.282 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.219 5.315 -9.359 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.521 5.624 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.522 6.568 -8.151 1.00 0.00 H new ATOM 681 N SER A 53 -2.918 0.772 -6.659 1.00 0.00 N ATOM 682 CA SER A 53 -4.297 1.017 -7.026 1.00 0.00 C ATOM 683 C SER A 53 -4.912 2.152 -6.213 1.00 0.00 C ATOM 684 O SER A 53 -4.915 2.121 -4.980 1.00 0.00 O ATOM 685 CB SER A 53 -5.116 -0.260 -6.848 1.00 0.00 C ATOM 686 OG SER A 53 -4.600 -1.316 -7.650 1.00 0.00 O ATOM 0 H SER A 53 -2.775 0.512 -5.683 1.00 0.00 H new ATOM 0 HA SER A 53 -4.312 1.320 -8.073 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.107 -0.558 -5.800 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.155 -0.070 -7.117 1.00 0.00 H new ATOM 0 HG SER A 53 -4.615 -2.152 -7.139 1.00 0.00 H new ATOM 692 N SER A 54 -5.416 3.157 -6.915 1.00 0.00 N ATOM 693 CA SER A 54 -6.065 4.292 -6.282 1.00 0.00 C ATOM 694 C SER A 54 -7.558 4.003 -6.138 1.00 0.00 C ATOM 695 O SER A 54 -8.365 4.380 -6.989 1.00 0.00 O ATOM 696 CB SER A 54 -5.849 5.559 -7.114 1.00 0.00 C ATOM 697 OG SER A 54 -4.677 5.452 -7.908 1.00 0.00 O ATOM 0 H SER A 54 -5.386 3.207 -7.933 1.00 0.00 H new ATOM 0 HA SER A 54 -5.631 4.451 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.713 5.729 -7.756 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.768 6.423 -6.454 1.00 0.00 H new ATOM 0 HG SER A 54 -3.894 5.360 -7.325 1.00 0.00 H new ATOM 703 N VAL A 55 -7.912 3.304 -5.073 1.00 0.00 N ATOM 704 CA VAL A 55 -9.298 2.941 -4.830 1.00 0.00 C ATOM 705 C VAL A 55 -10.015 4.024 -4.022 1.00 0.00 C ATOM 706 O VAL A 55 -9.410 4.688 -3.180 1.00 0.00 O ATOM 707 CB VAL A 55 -9.396 1.576 -4.102 1.00 0.00 C ATOM 708 CG1 VAL A 55 -9.057 1.703 -2.619 1.00 0.00 C ATOM 709 CG2 VAL A 55 -10.775 0.957 -4.295 1.00 0.00 C ATOM 0 H VAL A 55 -7.258 2.976 -4.362 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.790 2.851 -5.799 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.657 0.911 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.137 0.726 -2.143 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.040 2.078 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.752 2.396 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -10.820 -0.000 -3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.534 1.626 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.959 0.802 -5.358 1.00 0.00 H new ATOM 719 N THR A 56 -11.292 4.214 -4.300 1.00 0.00 N ATOM 720 CA THR A 56 -12.086 5.199 -3.591 1.00 0.00 C ATOM 721 C THR A 56 -13.273 4.517 -2.925 1.00 0.00 C ATOM 722 O THR A 56 -13.783 3.510 -3.430 1.00 0.00 O ATOM 723 CB THR A 56 -12.556 6.337 -4.534 1.00 0.00 C ATOM 724 OG1 THR A 56 -13.098 7.422 -3.770 1.00 0.00 O ATOM 725 CG2 THR A 56 -13.597 5.851 -5.534 1.00 0.00 C ATOM 0 H THR A 56 -11.803 3.696 -5.015 1.00 0.00 H new ATOM 0 HA THR A 56 -11.463 5.657 -2.823 1.00 0.00 H new ATOM 0 HB THR A 56 -11.683 6.677 -5.091 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.804 7.345 -2.838 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.900 6.679 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.171 5.055 -6.145 1.00 0.00 H new ATOM 0 HG23 THR A 56 -14.467 5.471 -4.998 1.00 0.00 H new ATOM 733 N ALA A 57 -13.687 5.037 -1.777 1.00 0.00 N ATOM 734 CA ALA A 57 -14.804 4.464 -1.042 1.00 0.00 C ATOM 735 C ALA A 57 -16.124 4.787 -1.723 1.00 0.00 C ATOM 736 O ALA A 57 -16.372 5.930 -2.119 1.00 0.00 O ATOM 737 CB ALA A 57 -14.809 4.951 0.399 1.00 0.00 C ATOM 0 H ALA A 57 -13.265 5.854 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.683 3.381 -1.035 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.653 4.510 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.880 4.656 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.898 6.037 0.416 1.00 0.00 H new ATOM 743 N ASP A 58 -16.965 3.773 -1.854 1.00 0.00 N ATOM 744 CA ASP A 58 -18.264 3.923 -2.494 1.00 0.00 C ATOM 745 C ASP A 58 -19.304 4.464 -1.511 1.00 0.00 C ATOM 746 O ASP A 58 -18.974 4.819 -0.376 1.00 0.00 O ATOM 747 CB ASP A 58 -18.728 2.578 -3.061 1.00 0.00 C ATOM 748 CG ASP A 58 -19.397 1.696 -2.021 1.00 0.00 C ATOM 749 OD1 ASP A 58 -18.759 1.378 -0.994 1.00 0.00 O ATOM 750 OD2 ASP A 58 -20.571 1.329 -2.228 1.00 0.00 O ATOM 0 H ASP A 58 -16.769 2.829 -1.522 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.161 4.641 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -19.424 2.756 -3.881 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.871 2.051 -3.480 1.00 0.00 H new ATOM 755 N ALA A 59 -20.560 4.509 -1.950 1.00 0.00 N ATOM 756 CA ALA A 59 -21.663 4.999 -1.126 1.00 0.00 C ATOM 757 C ALA A 59 -21.859 4.150 0.129 1.00 0.00 C ATOM 758 O ALA A 59 -22.388 4.627 1.132 1.00 0.00 O ATOM 759 CB ALA A 59 -22.948 5.036 -1.939 1.00 0.00 C ATOM 0 H ALA A 59 -20.841 4.208 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 59 -21.409 6.009 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -23.763 5.403 -1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -22.819 5.700 -2.794 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -23.184 4.032 -2.292 1.00 0.00 H new ATOM 765 N ASN A 60 -21.431 2.895 0.073 1.00 0.00 N ATOM 766 CA ASN A 60 -21.556 1.989 1.209 1.00 0.00 C ATOM 767 C ASN A 60 -20.380 2.164 2.157 1.00 0.00 C ATOM 768 O ASN A 60 -20.338 1.563 3.228 1.00 0.00 O ATOM 769 CB ASN A 60 -21.633 0.533 0.742 1.00 0.00 C ATOM 770 CG ASN A 60 -22.927 0.216 0.017 1.00 0.00 C ATOM 771 OD1 ASN A 60 -23.921 -0.178 0.632 1.00 0.00 O ATOM 772 ND2 ASN A 60 -22.922 0.378 -1.296 1.00 0.00 N ATOM 0 H ASN A 60 -20.993 2.480 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 60 -22.479 2.234 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -20.791 0.323 0.082 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -21.534 -0.126 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -23.762 0.175 -1.838 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -22.078 0.706 -1.766 1.00 0.00 H new ATOM 779 N GLY A 61 -19.427 2.994 1.755 1.00 0.00 N ATOM 780 CA GLY A 61 -18.255 3.239 2.570 1.00 0.00 C ATOM 781 C GLY A 61 -17.291 2.074 2.538 1.00 0.00 C ATOM 782 O GLY A 61 -16.554 1.838 3.493 1.00 0.00 O ATOM 0 H GLY A 61 -19.446 3.505 0.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -17.749 4.138 2.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.562 3.428 3.599 1.00 0.00 H new ATOM 786 N SER A 62 -17.297 1.343 1.436 1.00 0.00 N ATOM 787 CA SER A 62 -16.426 0.196 1.286 1.00 0.00 C ATOM 788 C SER A 62 -15.540 0.345 0.055 1.00 0.00 C ATOM 789 O SER A 62 -15.932 0.967 -0.934 1.00 0.00 O ATOM 790 CB SER A 62 -17.261 -1.084 1.198 1.00 0.00 C ATOM 791 OG SER A 62 -18.489 -0.857 0.522 1.00 0.00 O ATOM 0 H SER A 62 -17.898 1.526 0.632 1.00 0.00 H new ATOM 0 HA SER A 62 -15.777 0.134 2.160 1.00 0.00 H new ATOM 0 HB2 SER A 62 -16.694 -1.855 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 62 -17.461 -1.460 2.202 1.00 0.00 H new ATOM 0 HG SER A 62 -18.386 -0.108 -0.101 1.00 0.00 H new ATOM 797 N ALA A 63 -14.337 -0.197 0.131 1.00 0.00 N ATOM 798 CA ALA A 63 -13.397 -0.125 -0.978 1.00 0.00 C ATOM 799 C ALA A 63 -12.505 -1.360 -1.010 1.00 0.00 C ATOM 800 O ALA A 63 -11.787 -1.637 -0.049 1.00 0.00 O ATOM 801 CB ALA A 63 -12.548 1.134 -0.864 1.00 0.00 C ATOM 0 H ALA A 63 -13.986 -0.693 0.950 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.964 -0.087 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -11.848 1.178 -1.699 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.194 2.012 -0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.993 1.115 0.074 1.00 0.00 H new ATOM 807 N SER A 64 -12.564 -2.103 -2.105 1.00 0.00 N ATOM 808 CA SER A 64 -11.752 -3.297 -2.252 1.00 0.00 C ATOM 809 C SER A 64 -10.964 -3.241 -3.552 1.00 0.00 C ATOM 810 O SER A 64 -11.522 -2.975 -4.619 1.00 0.00 O ATOM 811 CB SER A 64 -12.626 -4.551 -2.215 1.00 0.00 C ATOM 812 OG SER A 64 -11.832 -5.727 -2.208 1.00 0.00 O ATOM 0 H SER A 64 -13.166 -1.899 -2.903 1.00 0.00 H new ATOM 0 HA SER A 64 -11.051 -3.342 -1.418 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.259 -4.531 -1.328 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.289 -4.561 -3.080 1.00 0.00 H new ATOM 0 HG SER A 64 -12.414 -6.515 -2.182 1.00 0.00 H new ATOM 818 N THR A 65 -9.669 -3.483 -3.456 1.00 0.00 N ATOM 819 CA THR A 65 -8.798 -3.458 -4.615 1.00 0.00 C ATOM 820 C THR A 65 -7.681 -4.488 -4.460 1.00 0.00 C ATOM 821 O THR A 65 -7.553 -5.125 -3.411 1.00 0.00 O ATOM 822 CB THR A 65 -8.200 -2.047 -4.836 1.00 0.00 C ATOM 823 OG1 THR A 65 -7.581 -1.969 -6.123 1.00 0.00 O ATOM 824 CG2 THR A 65 -7.181 -1.699 -3.756 1.00 0.00 C ATOM 0 H THR A 65 -9.195 -3.701 -2.579 1.00 0.00 H new ATOM 0 HA THR A 65 -9.395 -3.712 -5.491 1.00 0.00 H new ATOM 0 HB THR A 65 -9.017 -1.328 -4.780 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.016 -1.269 -6.654 1.00 0.00 H new ATOM 0 HG21 THR A 65 -6.781 -0.702 -3.941 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.664 -1.720 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.369 -2.425 -3.775 1.00 0.00 H new ATOM 832 N SER A 66 -6.881 -4.660 -5.502 1.00 0.00 N ATOM 833 CA SER A 66 -5.789 -5.617 -5.471 1.00 0.00 C ATOM 834 C SER A 66 -4.461 -4.949 -5.825 1.00 0.00 C ATOM 835 O SER A 66 -4.435 -3.927 -6.513 1.00 0.00 O ATOM 836 CB SER A 66 -6.078 -6.761 -6.433 1.00 0.00 C ATOM 837 OG SER A 66 -7.413 -7.218 -6.287 1.00 0.00 O ATOM 0 H SER A 66 -6.969 -4.148 -6.380 1.00 0.00 H new ATOM 0 HA SER A 66 -5.706 -6.011 -4.458 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.912 -6.430 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 66 -5.386 -7.582 -6.247 1.00 0.00 H new ATOM 0 HG SER A 66 -7.578 -7.952 -6.915 1.00 0.00 H new ATOM 843 N LEU A 67 -3.367 -5.529 -5.343 1.00 0.00 N ATOM 844 CA LEU A 67 -2.030 -5.001 -5.588 1.00 0.00 C ATOM 845 C LEU A 67 -1.074 -6.112 -6.009 1.00 0.00 C ATOM 846 O LEU A 67 -1.091 -7.197 -5.429 1.00 0.00 O ATOM 847 CB LEU A 67 -1.483 -4.330 -4.317 1.00 0.00 C ATOM 848 CG LEU A 67 -1.937 -2.889 -4.063 1.00 0.00 C ATOM 849 CD1 LEU A 67 -1.920 -2.094 -5.355 1.00 0.00 C ATOM 850 CD2 LEU A 67 -3.319 -2.859 -3.423 1.00 0.00 C ATOM 0 H LEU A 67 -3.382 -6.375 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.104 -4.269 -6.392 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.772 -4.936 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.394 -4.343 -4.365 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.238 -2.426 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.245 -1.072 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.908 -2.081 -5.761 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.594 -2.557 -6.076 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.619 -1.825 -3.253 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.038 -3.341 -4.086 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.291 -3.390 -2.471 1.00 0.00 H new ATOM 862 N THR A 68 -0.255 -5.850 -7.014 1.00 0.00 N ATOM 863 CA THR A 68 0.722 -6.826 -7.471 1.00 0.00 C ATOM 864 C THR A 68 2.061 -6.548 -6.802 1.00 0.00 C ATOM 865 O THR A 68 2.763 -5.604 -7.166 1.00 0.00 O ATOM 866 CB THR A 68 0.903 -6.786 -8.998 1.00 0.00 C ATOM 867 OG1 THR A 68 -0.277 -6.261 -9.624 1.00 0.00 O ATOM 868 CG2 THR A 68 1.194 -8.178 -9.539 1.00 0.00 C ATOM 0 H THR A 68 -0.247 -4.970 -7.529 1.00 0.00 H new ATOM 0 HA THR A 68 0.355 -7.817 -7.202 1.00 0.00 H new ATOM 0 HB THR A 68 1.748 -6.137 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.131 -5.322 -9.862 1.00 0.00 H new ATOM 0 HG21 THR A 68 1.319 -8.129 -10.621 1.00 0.00 H new ATOM 0 HG22 THR A 68 2.108 -8.561 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.364 -8.842 -9.299 1.00 0.00 H new ATOM 876 N VAL A 69 2.403 -7.359 -5.810 1.00 0.00 N ATOM 877 CA VAL A 69 3.650 -7.175 -5.082 1.00 0.00 C ATOM 878 C VAL A 69 4.861 -7.668 -5.889 1.00 0.00 C ATOM 879 O VAL A 69 4.935 -8.832 -6.286 1.00 0.00 O ATOM 880 CB VAL A 69 3.604 -7.868 -3.696 1.00 0.00 C ATOM 881 CG1 VAL A 69 3.341 -9.360 -3.828 1.00 0.00 C ATOM 882 CG2 VAL A 69 4.889 -7.614 -2.926 1.00 0.00 C ATOM 0 H VAL A 69 1.838 -8.146 -5.493 1.00 0.00 H new ATOM 0 HA VAL A 69 3.768 -6.103 -4.925 1.00 0.00 H new ATOM 0 HB VAL A 69 2.775 -7.435 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 69 3.315 -9.814 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.384 -9.518 -4.325 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.135 -9.819 -4.417 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.836 -8.109 -1.956 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.735 -8.009 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.019 -6.542 -2.779 1.00 0.00 H new ATOM 892 N ARG A 70 5.788 -6.755 -6.151 1.00 0.00 N ATOM 893 CA ARG A 70 7.005 -7.072 -6.888 1.00 0.00 C ATOM 894 C ARG A 70 8.140 -7.338 -5.906 1.00 0.00 C ATOM 895 O ARG A 70 8.046 -6.971 -4.733 1.00 0.00 O ATOM 896 CB ARG A 70 7.383 -5.918 -7.828 1.00 0.00 C ATOM 897 CG ARG A 70 6.258 -5.486 -8.755 1.00 0.00 C ATOM 898 CD ARG A 70 5.893 -6.582 -9.740 1.00 0.00 C ATOM 899 NE ARG A 70 4.693 -6.263 -10.508 1.00 0.00 N ATOM 900 CZ ARG A 70 4.220 -7.021 -11.491 1.00 0.00 C ATOM 901 NH1 ARG A 70 4.856 -8.133 -11.841 1.00 0.00 N ATOM 902 NH2 ARG A 70 3.103 -6.665 -12.114 1.00 0.00 N ATOM 0 H ARG A 70 5.718 -5.780 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 70 6.830 -7.963 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.696 -5.063 -7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.241 -6.218 -8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.381 -5.220 -8.165 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.558 -4.591 -9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.726 -6.744 -10.424 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.738 -7.516 -9.199 1.00 0.00 H new ATOM 0 HE ARG A 70 4.188 -5.408 -10.276 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.710 -8.407 -11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.491 -8.713 -12.596 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.614 -5.814 -11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.734 -7.242 -12.870 1.00 0.00 H new ATOM 916 N ARG A 71 9.205 -7.970 -6.385 1.00 0.00 N ATOM 917 CA ARG A 71 10.356 -8.284 -5.542 1.00 0.00 C ATOM 918 C ARG A 71 11.161 -7.017 -5.245 1.00 0.00 C ATOM 919 O ARG A 71 11.706 -6.847 -4.154 1.00 0.00 O ATOM 920 CB ARG A 71 11.236 -9.332 -6.228 1.00 0.00 C ATOM 921 CG ARG A 71 12.194 -10.038 -5.285 1.00 0.00 C ATOM 922 CD ARG A 71 11.476 -11.029 -4.383 1.00 0.00 C ATOM 923 NE ARG A 71 10.960 -12.178 -5.126 1.00 0.00 N ATOM 924 CZ ARG A 71 10.937 -13.426 -4.647 1.00 0.00 C ATOM 925 NH1 ARG A 71 11.425 -13.696 -3.444 1.00 0.00 N ATOM 926 NH2 ARG A 71 10.426 -14.409 -5.374 1.00 0.00 N ATOM 0 H ARG A 71 9.297 -8.276 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 71 10.000 -8.692 -4.596 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.596 -10.075 -6.705 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.809 -8.850 -7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.955 -10.560 -5.865 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.711 -9.299 -4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.161 -11.376 -3.610 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.652 -10.526 -3.877 1.00 0.00 H new ATOM 0 HE ARG A 71 10.596 -12.018 -6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.822 -12.948 -2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 71 11.403 -14.651 -3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.049 -14.214 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.410 -15.360 -5.006 1.00 0.00 H new ATOM 940 N SER A 72 11.230 -6.140 -6.229 1.00 0.00 N ATOM 941 CA SER A 72 11.937 -4.874 -6.100 1.00 0.00 C ATOM 942 C SER A 72 11.083 -3.782 -6.736 1.00 0.00 C ATOM 943 O SER A 72 10.338 -4.061 -7.678 1.00 0.00 O ATOM 944 CB SER A 72 13.301 -4.958 -6.787 1.00 0.00 C ATOM 945 OG SER A 72 13.936 -6.200 -6.520 1.00 0.00 O ATOM 0 H SER A 72 10.798 -6.283 -7.142 1.00 0.00 H new ATOM 0 HA SER A 72 12.106 -4.644 -5.048 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.177 -4.834 -7.863 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.935 -4.141 -6.443 1.00 0.00 H new ATOM 0 HG SER A 72 14.436 -6.138 -5.680 1.00 0.00 H new ATOM 951 N PHE A 73 11.166 -2.554 -6.233 1.00 0.00 N ATOM 952 CA PHE A 73 10.358 -1.470 -6.776 1.00 0.00 C ATOM 953 C PHE A 73 10.965 -0.099 -6.497 1.00 0.00 C ATOM 954 O PHE A 73 11.996 0.025 -5.836 1.00 0.00 O ATOM 955 CB PHE A 73 8.943 -1.538 -6.196 1.00 0.00 C ATOM 956 CG PHE A 73 8.888 -1.427 -4.693 1.00 0.00 C ATOM 957 CD1 PHE A 73 9.085 -2.542 -3.893 1.00 0.00 C ATOM 958 CD2 PHE A 73 8.630 -0.210 -4.081 1.00 0.00 C ATOM 959 CE1 PHE A 73 9.023 -2.445 -2.518 1.00 0.00 C ATOM 960 CE2 PHE A 73 8.570 -0.107 -2.705 1.00 0.00 C ATOM 961 CZ PHE A 73 8.765 -1.227 -1.922 1.00 0.00 C ATOM 0 H PHE A 73 11.776 -2.288 -5.460 1.00 0.00 H new ATOM 0 HA PHE A 73 10.325 -1.598 -7.858 1.00 0.00 H new ATOM 0 HB2 PHE A 73 8.345 -0.737 -6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.483 -2.479 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.289 -3.498 -4.352 1.00 0.00 H new ATOM 0 HD2 PHE A 73 8.474 0.669 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 73 9.176 -3.323 -1.908 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.371 0.848 -2.242 1.00 0.00 H new ATOM 0 HZ PHE A 73 8.716 -1.150 -0.846 1.00 0.00 H new ATOM 971 N GLU A 74 10.310 0.923 -7.020 1.00 0.00 N ATOM 972 CA GLU A 74 10.735 2.302 -6.849 1.00 0.00 C ATOM 973 C GLU A 74 10.000 2.918 -5.669 1.00 0.00 C ATOM 974 O GLU A 74 8.777 2.817 -5.578 1.00 0.00 O ATOM 975 CB GLU A 74 10.441 3.116 -8.114 1.00 0.00 C ATOM 976 CG GLU A 74 10.558 2.319 -9.408 1.00 0.00 C ATOM 977 CD GLU A 74 9.274 1.599 -9.777 1.00 0.00 C ATOM 978 OE1 GLU A 74 9.087 0.439 -9.350 1.00 0.00 O ATOM 979 OE2 GLU A 74 8.454 2.178 -10.517 1.00 0.00 O ATOM 0 H GLU A 74 9.463 0.819 -7.579 1.00 0.00 H new ATOM 0 HA GLU A 74 11.809 2.316 -6.664 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.434 3.527 -8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.128 3.961 -8.157 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.837 2.992 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.362 1.589 -9.308 1.00 0.00 H new ATOM 986 N GLY A 75 10.738 3.549 -4.772 1.00 0.00 N ATOM 987 CA GLY A 75 10.125 4.161 -3.610 1.00 0.00 C ATOM 988 C GLY A 75 9.635 5.567 -3.887 1.00 0.00 C ATOM 989 O GLY A 75 10.419 6.437 -4.278 1.00 0.00 O ATOM 0 H GLY A 75 11.752 3.650 -4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.288 3.546 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.846 4.185 -2.793 1.00 0.00 H new ATOM 993 N PHE A 76 8.341 5.799 -3.678 1.00 0.00 N ATOM 994 CA PHE A 76 7.750 7.106 -3.917 1.00 0.00 C ATOM 995 C PHE A 76 6.957 7.566 -2.705 1.00 0.00 C ATOM 996 O PHE A 76 6.343 6.758 -2.004 1.00 0.00 O ATOM 997 CB PHE A 76 6.830 7.058 -5.141 1.00 0.00 C ATOM 998 CG PHE A 76 7.526 7.320 -6.449 1.00 0.00 C ATOM 999 CD1 PHE A 76 8.460 6.428 -6.949 1.00 0.00 C ATOM 1000 CD2 PHE A 76 7.233 8.457 -7.181 1.00 0.00 C ATOM 1001 CE1 PHE A 76 9.089 6.666 -8.155 1.00 0.00 C ATOM 1002 CE2 PHE A 76 7.860 8.699 -8.388 1.00 0.00 C ATOM 1003 CZ PHE A 76 8.790 7.802 -8.876 1.00 0.00 C ATOM 0 H PHE A 76 7.684 5.095 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 76 8.558 7.814 -4.101 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.355 6.078 -5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 76 6.035 7.792 -5.012 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.699 5.536 -6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.507 9.162 -6.805 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.815 5.962 -8.533 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.623 9.590 -8.950 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.281 7.990 -9.819 1.00 0.00 H new ATOM 1013 N LEU A 77 6.990 8.864 -2.456 1.00 0.00 N ATOM 1014 CA LEU A 77 6.266 9.448 -1.342 1.00 0.00 C ATOM 1015 C LEU A 77 4.820 9.723 -1.746 1.00 0.00 C ATOM 1016 O LEU A 77 4.471 9.624 -2.923 1.00 0.00 O ATOM 1017 CB LEU A 77 6.948 10.738 -0.888 1.00 0.00 C ATOM 1018 CG LEU A 77 7.951 10.588 0.264 1.00 0.00 C ATOM 1019 CD1 LEU A 77 8.991 9.520 -0.045 1.00 0.00 C ATOM 1020 CD2 LEU A 77 8.630 11.916 0.551 1.00 0.00 C ATOM 0 H LEU A 77 7.515 9.537 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 77 6.268 8.744 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.466 11.174 -1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.178 11.448 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 77 7.399 10.275 1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.687 9.438 0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.494 8.562 -0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.538 9.795 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.338 11.793 1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.160 12.253 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.879 12.656 0.828 1.00 0.00 H new ATOM 1032 N PHE A 78 3.990 10.091 -0.775 1.00 0.00 N ATOM 1033 CA PHE A 78 2.578 10.365 -1.037 1.00 0.00 C ATOM 1034 C PHE A 78 2.398 11.597 -1.918 1.00 0.00 C ATOM 1035 O PHE A 78 1.403 11.717 -2.630 1.00 0.00 O ATOM 1036 CB PHE A 78 1.804 10.536 0.273 1.00 0.00 C ATOM 1037 CG PHE A 78 1.043 9.305 0.670 1.00 0.00 C ATOM 1038 CD1 PHE A 78 1.698 8.222 1.236 1.00 0.00 C ATOM 1039 CD2 PHE A 78 -0.326 9.222 0.467 1.00 0.00 C ATOM 1040 CE1 PHE A 78 1.006 7.085 1.597 1.00 0.00 C ATOM 1041 CE2 PHE A 78 -1.025 8.085 0.824 1.00 0.00 C ATOM 1042 CZ PHE A 78 -0.358 7.014 1.390 1.00 0.00 C ATOM 0 H PHE A 78 4.268 10.207 0.199 1.00 0.00 H new ATOM 0 HA PHE A 78 2.176 9.506 -1.574 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.501 10.798 1.069 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.109 11.369 0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.765 8.269 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.852 10.055 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.530 6.251 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.091 8.033 0.661 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.902 6.124 1.670 1.00 0.00 H new ATOM 1052 N ASP A 79 3.365 12.507 -1.878 1.00 0.00 N ATOM 1053 CA ASP A 79 3.298 13.722 -2.688 1.00 0.00 C ATOM 1054 C ASP A 79 3.692 13.423 -4.135 1.00 0.00 C ATOM 1055 O ASP A 79 3.305 14.144 -5.057 1.00 0.00 O ATOM 1056 CB ASP A 79 4.195 14.825 -2.102 1.00 0.00 C ATOM 1057 CG ASP A 79 5.587 14.830 -2.696 1.00 0.00 C ATOM 1058 OD1 ASP A 79 6.339 13.862 -2.468 1.00 0.00 O ATOM 1059 OD2 ASP A 79 5.940 15.804 -3.392 1.00 0.00 O ATOM 0 H ASP A 79 4.200 12.429 -1.298 1.00 0.00 H new ATOM 0 HA ASP A 79 2.269 14.081 -2.675 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.729 15.795 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.267 14.693 -1.022 1.00 0.00 H new ATOM 1064 N GLY A 80 4.442 12.343 -4.330 1.00 0.00 N ATOM 1065 CA GLY A 80 4.861 11.965 -5.664 1.00 0.00 C ATOM 1066 C GLY A 80 6.361 12.052 -5.865 1.00 0.00 C ATOM 1067 O GLY A 80 6.866 11.777 -6.955 1.00 0.00 O ATOM 0 H GLY A 80 4.766 11.724 -3.587 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.532 10.946 -5.866 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.365 12.610 -6.390 1.00 0.00 H new ATOM 1071 N THR A 81 7.079 12.449 -4.826 1.00 0.00 N ATOM 1072 CA THR A 81 8.528 12.555 -4.909 1.00 0.00 C ATOM 1073 C THR A 81 9.185 11.192 -4.702 1.00 0.00 C ATOM 1074 O THR A 81 8.851 10.470 -3.762 1.00 0.00 O ATOM 1075 CB THR A 81 9.073 13.553 -3.864 1.00 0.00 C ATOM 1076 OG1 THR A 81 8.449 14.834 -4.042 1.00 0.00 O ATOM 1077 CG2 THR A 81 10.585 13.705 -3.979 1.00 0.00 C ATOM 0 H THR A 81 6.685 12.702 -3.920 1.00 0.00 H new ATOM 0 HA THR A 81 8.772 12.921 -5.906 1.00 0.00 H new ATOM 0 HB THR A 81 8.841 13.162 -2.873 1.00 0.00 H new ATOM 0 HG1 THR A 81 8.797 15.463 -3.376 1.00 0.00 H new ATOM 0 HG21 THR A 81 10.937 14.414 -3.230 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.061 12.738 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 81 10.839 14.072 -4.974 1.00 0.00 H new ATOM 1085 N ARG A 82 10.098 10.832 -5.594 1.00 0.00 N ATOM 1086 CA ARG A 82 10.806 9.565 -5.486 1.00 0.00 C ATOM 1087 C ARG A 82 11.946 9.684 -4.482 1.00 0.00 C ATOM 1088 O ARG A 82 12.574 10.737 -4.368 1.00 0.00 O ATOM 1089 CB ARG A 82 11.338 9.118 -6.852 1.00 0.00 C ATOM 1090 CG ARG A 82 12.337 10.079 -7.474 1.00 0.00 C ATOM 1091 CD ARG A 82 13.753 9.523 -7.451 1.00 0.00 C ATOM 1092 NE ARG A 82 13.820 8.175 -8.013 1.00 0.00 N ATOM 1093 CZ ARG A 82 14.905 7.407 -7.977 1.00 0.00 C ATOM 1094 NH1 ARG A 82 16.032 7.878 -7.464 1.00 0.00 N ATOM 1095 NH2 ARG A 82 14.869 6.175 -8.476 1.00 0.00 N ATOM 0 H ARG A 82 10.365 11.399 -6.399 1.00 0.00 H new ATOM 0 HA ARG A 82 10.105 8.809 -5.133 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.809 8.141 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.497 8.993 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.046 10.288 -8.504 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.311 11.027 -6.937 1.00 0.00 H new ATOM 0 HD2 ARG A 82 14.411 10.184 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.120 9.507 -6.425 1.00 0.00 H new ATOM 0 HE ARG A 82 12.983 7.801 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.067 8.829 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.865 7.290 -7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.007 5.817 -8.888 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.703 5.588 -8.447 1.00 0.00 H new ATOM 1109 N TRP A 83 12.212 8.615 -3.752 1.00 0.00 N ATOM 1110 CA TRP A 83 13.272 8.640 -2.756 1.00 0.00 C ATOM 1111 C TRP A 83 14.420 7.713 -3.142 1.00 0.00 C ATOM 1112 O TRP A 83 15.554 7.908 -2.705 1.00 0.00 O ATOM 1113 CB TRP A 83 12.717 8.257 -1.383 1.00 0.00 C ATOM 1114 CG TRP A 83 13.338 9.027 -0.259 1.00 0.00 C ATOM 1115 CD1 TRP A 83 14.232 8.560 0.657 1.00 0.00 C ATOM 1116 CD2 TRP A 83 13.110 10.404 0.072 1.00 0.00 C ATOM 1117 NE1 TRP A 83 14.577 9.559 1.534 1.00 0.00 N ATOM 1118 CE2 TRP A 83 13.898 10.700 1.196 1.00 0.00 C ATOM 1119 CE3 TRP A 83 12.316 11.413 -0.478 1.00 0.00 C ATOM 1120 CZ2 TRP A 83 13.916 11.960 1.787 1.00 0.00 C ATOM 1121 CZ3 TRP A 83 12.331 12.665 0.109 1.00 0.00 C ATOM 1122 CH2 TRP A 83 13.128 12.928 1.230 1.00 0.00 C ATOM 0 H TRP A 83 11.716 7.727 -3.827 1.00 0.00 H new ATOM 0 HA TRP A 83 13.665 9.656 -2.709 1.00 0.00 H new ATOM 0 HB2 TRP A 83 11.639 8.421 -1.375 1.00 0.00 H new ATOM 0 HB3 TRP A 83 12.878 7.192 -1.218 1.00 0.00 H new ATOM 0 HD1 TRP A 83 14.614 7.550 0.689 1.00 0.00 H new ATOM 0 HE1 TRP A 83 15.232 9.467 2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 83 11.702 11.219 -1.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 14.529 12.165 2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 11.718 13.453 -0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.120 13.917 1.664 1.00 0.00 H new ATOM 1133 N GLY A 84 14.130 6.709 -3.959 1.00 0.00 N ATOM 1134 CA GLY A 84 15.162 5.781 -4.382 1.00 0.00 C ATOM 1135 C GLY A 84 14.599 4.412 -4.697 1.00 0.00 C ATOM 1136 O GLY A 84 13.383 4.226 -4.693 1.00 0.00 O ATOM 0 H GLY A 84 13.201 6.520 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.667 6.177 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 84 15.913 5.692 -3.597 1.00 0.00 H new ATOM 1140 N THR A 85 15.473 3.456 -4.971 1.00 0.00 N ATOM 1141 CA THR A 85 15.048 2.100 -5.285 1.00 0.00 C ATOM 1142 C THR A 85 14.931 1.260 -4.013 1.00 0.00 C ATOM 1143 O THR A 85 15.849 1.231 -3.187 1.00 0.00 O ATOM 1144 CB THR A 85 16.031 1.415 -6.256 1.00 0.00 C ATOM 1145 OG1 THR A 85 16.749 2.406 -7.011 1.00 0.00 O ATOM 1146 CG2 THR A 85 15.289 0.486 -7.205 1.00 0.00 C ATOM 0 H THR A 85 16.484 3.594 -4.982 1.00 0.00 H new ATOM 0 HA THR A 85 14.071 2.171 -5.764 1.00 0.00 H new ATOM 0 HB THR A 85 16.737 0.826 -5.670 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.372 1.962 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.001 0.013 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 85 14.769 -0.281 -6.631 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.565 1.060 -7.783 1.00 0.00 H new ATOM 1154 N VAL A 86 13.795 0.586 -3.858 1.00 0.00 N ATOM 1155 CA VAL A 86 13.545 -0.251 -2.691 1.00 0.00 C ATOM 1156 C VAL A 86 13.491 -1.717 -3.103 1.00 0.00 C ATOM 1157 O VAL A 86 12.863 -2.064 -4.102 1.00 0.00 O ATOM 1158 CB VAL A 86 12.220 0.127 -1.995 1.00 0.00 C ATOM 1159 CG1 VAL A 86 12.114 -0.538 -0.632 1.00 0.00 C ATOM 1160 CG2 VAL A 86 12.092 1.635 -1.861 1.00 0.00 C ATOM 0 H VAL A 86 13.029 0.604 -4.531 1.00 0.00 H new ATOM 0 HA VAL A 86 14.363 -0.089 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 86 11.400 -0.234 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.172 -0.256 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 86 12.150 -1.621 -0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.944 -0.215 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.151 1.878 -1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.922 2.019 -1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.111 2.091 -2.851 1.00 0.00 H new ATOM 1170 N ASP A 87 14.153 -2.574 -2.343 1.00 0.00 N ATOM 1171 CA ASP A 87 14.175 -3.998 -2.655 1.00 0.00 C ATOM 1172 C ASP A 87 13.676 -4.829 -1.481 1.00 0.00 C ATOM 1173 O ASP A 87 13.934 -4.498 -0.320 1.00 0.00 O ATOM 1174 CB ASP A 87 15.594 -4.428 -3.033 1.00 0.00 C ATOM 1175 CG ASP A 87 15.705 -5.922 -3.252 1.00 0.00 C ATOM 1176 OD1 ASP A 87 15.436 -6.381 -4.378 1.00 0.00 O ATOM 1177 OD2 ASP A 87 16.051 -6.649 -2.298 1.00 0.00 O ATOM 0 H ASP A 87 14.680 -2.313 -1.510 1.00 0.00 H new ATOM 0 HA ASP A 87 13.507 -4.169 -3.499 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.899 -3.907 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.284 -4.127 -2.245 1.00 0.00 H new ATOM 1182 N CYS A 88 12.957 -5.902 -1.787 1.00 0.00 N ATOM 1183 CA CYS A 88 12.432 -6.786 -0.757 1.00 0.00 C ATOM 1184 C CYS A 88 12.824 -8.240 -1.029 1.00 0.00 C ATOM 1185 O CYS A 88 12.125 -9.171 -0.630 1.00 0.00 O ATOM 1186 CB CYS A 88 10.911 -6.647 -0.642 1.00 0.00 C ATOM 1187 SG CYS A 88 10.388 -5.403 0.584 1.00 0.00 S ATOM 0 H CYS A 88 12.725 -6.180 -2.741 1.00 0.00 H new ATOM 0 HA CYS A 88 12.874 -6.490 0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 88 10.503 -6.379 -1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 88 10.485 -7.613 -0.373 1.00 0.00 H new ATOM 1192 N THR A 89 13.956 -8.430 -1.701 1.00 0.00 N ATOM 1193 CA THR A 89 14.448 -9.767 -1.994 1.00 0.00 C ATOM 1194 C THR A 89 15.157 -10.327 -0.763 1.00 0.00 C ATOM 1195 O THR A 89 15.274 -11.541 -0.583 1.00 0.00 O ATOM 1196 CB THR A 89 15.415 -9.759 -3.197 1.00 0.00 C ATOM 1197 OG1 THR A 89 14.903 -8.911 -4.234 1.00 0.00 O ATOM 1198 CG2 THR A 89 15.614 -11.161 -3.753 1.00 0.00 C ATOM 0 H THR A 89 14.546 -7.675 -2.051 1.00 0.00 H new ATOM 0 HA THR A 89 13.597 -10.398 -2.252 1.00 0.00 H new ATOM 0 HB THR A 89 16.376 -9.381 -2.849 1.00 0.00 H new ATOM 0 HG1 THR A 89 15.498 -8.141 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 89 16.300 -11.123 -4.599 1.00 0.00 H new ATOM 0 HG22 THR A 89 16.030 -11.804 -2.978 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.655 -11.562 -4.081 1.00 0.00 H new ATOM 1206 N THR A 90 15.607 -9.424 0.095 1.00 0.00 N ATOM 1207 CA THR A 90 16.295 -9.799 1.317 1.00 0.00 C ATOM 1208 C THR A 90 15.740 -8.990 2.490 1.00 0.00 C ATOM 1209 O THR A 90 16.360 -8.884 3.548 1.00 0.00 O ATOM 1210 CB THR A 90 17.822 -9.582 1.176 1.00 0.00 C ATOM 1211 OG1 THR A 90 18.528 -10.239 2.236 1.00 0.00 O ATOM 1212 CG2 THR A 90 18.166 -8.099 1.170 1.00 0.00 C ATOM 0 H THR A 90 15.506 -8.418 -0.036 1.00 0.00 H new ATOM 0 HA THR A 90 16.125 -10.859 1.506 1.00 0.00 H new ATOM 0 HB THR A 90 18.130 -10.014 0.224 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.147 -9.971 3.098 1.00 0.00 H new ATOM 0 HG21 THR A 90 19.244 -7.976 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.666 -7.613 0.332 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.834 -7.645 2.104 1.00 0.00 H new ATOM 1220 N ALA A 91 14.548 -8.445 2.291 1.00 0.00 N ATOM 1221 CA ALA A 91 13.884 -7.635 3.297 1.00 0.00 C ATOM 1222 C ALA A 91 12.382 -7.878 3.248 1.00 0.00 C ATOM 1223 O ALA A 91 11.883 -8.506 2.315 1.00 0.00 O ATOM 1224 CB ALA A 91 14.191 -6.158 3.079 1.00 0.00 C ATOM 0 H ALA A 91 14.016 -8.553 1.427 1.00 0.00 H new ATOM 0 HA ALA A 91 14.256 -7.920 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.686 -5.565 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 91 15.267 -5.996 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 91 13.840 -5.855 2.092 1.00 0.00 H new ATOM 1230 N ALA A 92 11.668 -7.384 4.249 1.00 0.00 N ATOM 1231 CA ALA A 92 10.221 -7.554 4.311 1.00 0.00 C ATOM 1232 C ALA A 92 9.498 -6.311 3.801 1.00 0.00 C ATOM 1233 O ALA A 92 9.921 -5.182 4.057 1.00 0.00 O ATOM 1234 CB ALA A 92 9.785 -7.873 5.734 1.00 0.00 C ATOM 0 H ALA A 92 12.066 -6.862 5.030 1.00 0.00 H new ATOM 0 HA ALA A 92 9.952 -8.390 3.665 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.702 -7.997 5.764 1.00 0.00 H new ATOM 0 HB2 ALA A 92 10.265 -8.794 6.064 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.075 -7.056 6.395 1.00 0.00 H new ATOM 1240 N CYS A 93 8.408 -6.533 3.079 1.00 0.00 N ATOM 1241 CA CYS A 93 7.605 -5.448 2.529 1.00 0.00 C ATOM 1242 C CYS A 93 6.262 -5.395 3.249 1.00 0.00 C ATOM 1243 O CYS A 93 5.808 -6.402 3.788 1.00 0.00 O ATOM 1244 CB CYS A 93 7.379 -5.660 1.025 1.00 0.00 C ATOM 1245 SG CYS A 93 8.563 -4.799 -0.066 1.00 0.00 S ATOM 0 H CYS A 93 8.056 -7.465 2.859 1.00 0.00 H new ATOM 0 HA CYS A 93 8.135 -4.506 2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.425 -6.728 0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.371 -5.329 0.775 1.00 0.00 H new ATOM 1250 N GLN A 94 5.628 -4.234 3.273 1.00 0.00 N ATOM 1251 CA GLN A 94 4.335 -4.098 3.924 1.00 0.00 C ATOM 1252 C GLN A 94 3.336 -3.414 3.002 1.00 0.00 C ATOM 1253 O GLN A 94 3.719 -2.684 2.088 1.00 0.00 O ATOM 1254 CB GLN A 94 4.455 -3.330 5.246 1.00 0.00 C ATOM 1255 CG GLN A 94 5.256 -2.039 5.153 1.00 0.00 C ATOM 1256 CD GLN A 94 6.610 -2.147 5.828 1.00 0.00 C ATOM 1257 OE1 GLN A 94 7.610 -2.487 5.194 1.00 0.00 O ATOM 1258 NE2 GLN A 94 6.651 -1.863 7.121 1.00 0.00 N ATOM 0 H GLN A 94 5.985 -3.376 2.852 1.00 0.00 H new ATOM 0 HA GLN A 94 3.971 -5.101 4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.454 -3.097 5.609 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.920 -3.979 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.396 -1.777 4.104 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.689 -1.229 5.611 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.800 -1.585 7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.534 -1.922 7.628 1.00 0.00 H new ATOM 1267 N VAL A 95 2.059 -3.669 3.232 1.00 0.00 N ATOM 1268 CA VAL A 95 1.011 -3.072 2.421 1.00 0.00 C ATOM 1269 C VAL A 95 0.681 -1.674 2.929 1.00 0.00 C ATOM 1270 O VAL A 95 0.202 -1.506 4.053 1.00 0.00 O ATOM 1271 CB VAL A 95 -0.276 -3.925 2.416 1.00 0.00 C ATOM 1272 CG1 VAL A 95 -1.189 -3.498 1.278 1.00 0.00 C ATOM 1273 CG2 VAL A 95 0.053 -5.408 2.308 1.00 0.00 C ATOM 0 H VAL A 95 1.723 -4.285 3.973 1.00 0.00 H new ATOM 0 HA VAL A 95 1.389 -3.020 1.400 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.795 -3.762 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.092 -4.108 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.459 -2.449 1.402 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.672 -3.630 0.328 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.871 -5.986 2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.599 -5.593 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.667 -5.707 3.157 1.00 0.00 H new ATOM 1283 N GLY A 96 0.964 -0.677 2.107 1.00 0.00 N ATOM 1284 CA GLY A 96 0.689 0.692 2.480 1.00 0.00 C ATOM 1285 C GLY A 96 -0.694 1.109 2.059 1.00 0.00 C ATOM 1286 O GLY A 96 -0.959 1.285 0.874 1.00 0.00 O ATOM 0 H GLY A 96 1.381 -0.793 1.184 1.00 0.00 H new ATOM 0 HA2 GLY A 96 0.792 0.804 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.425 1.351 2.020 1.00 0.00 H new ATOM 1290 N LEU A 97 -1.576 1.258 3.031 1.00 0.00 N ATOM 1291 CA LEU A 97 -2.951 1.645 2.771 1.00 0.00 C ATOM 1292 C LEU A 97 -3.339 2.861 3.601 1.00 0.00 C ATOM 1293 O LEU A 97 -3.504 2.771 4.818 1.00 0.00 O ATOM 1294 CB LEU A 97 -3.900 0.478 3.074 1.00 0.00 C ATOM 1295 CG LEU A 97 -3.274 -0.717 3.808 1.00 0.00 C ATOM 1296 CD1 LEU A 97 -3.074 -0.408 5.285 1.00 0.00 C ATOM 1297 CD2 LEU A 97 -4.128 -1.964 3.633 1.00 0.00 C ATOM 0 H LEU A 97 -1.361 1.115 4.018 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.035 1.906 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.729 0.854 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.321 0.123 2.133 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.295 -0.906 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.629 -1.271 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.412 0.452 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.037 -0.183 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.666 -2.798 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.123 -1.784 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.207 -2.205 2.573 1.00 0.00 H new ATOM 1309 N SER A 98 -3.458 4.003 2.942 1.00 0.00 N ATOM 1310 CA SER A 98 -3.837 5.240 3.607 1.00 0.00 C ATOM 1311 C SER A 98 -4.593 6.144 2.646 1.00 0.00 C ATOM 1312 O SER A 98 -4.542 5.948 1.434 1.00 0.00 O ATOM 1313 CB SER A 98 -2.601 5.967 4.137 1.00 0.00 C ATOM 1314 OG SER A 98 -1.829 5.117 4.968 1.00 0.00 O ATOM 0 H SER A 98 -3.296 4.099 1.939 1.00 0.00 H new ATOM 0 HA SER A 98 -4.485 4.991 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.993 6.315 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.907 6.850 4.698 1.00 0.00 H new ATOM 0 HG SER A 98 -1.043 5.604 5.294 1.00 0.00 H new ATOM 1320 N ASP A 99 -5.304 7.115 3.193 1.00 0.00 N ATOM 1321 CA ASP A 99 -6.067 8.055 2.389 1.00 0.00 C ATOM 1322 C ASP A 99 -5.142 9.096 1.765 1.00 0.00 C ATOM 1323 O ASP A 99 -3.928 9.052 1.969 1.00 0.00 O ATOM 1324 CB ASP A 99 -7.141 8.731 3.249 1.00 0.00 C ATOM 1325 CG ASP A 99 -6.629 9.949 3.989 1.00 0.00 C ATOM 1326 OD1 ASP A 99 -5.794 9.794 4.905 1.00 0.00 O ATOM 1327 OD2 ASP A 99 -7.061 11.068 3.651 1.00 0.00 O ATOM 0 H ASP A 99 -5.369 7.274 4.198 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.559 7.511 1.583 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -7.976 9.024 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -7.527 8.011 3.970 1.00 0.00 H new ATOM 1332 N ALA A 100 -5.718 10.029 1.017 1.00 0.00 N ATOM 1333 CA ALA A 100 -4.949 11.082 0.356 1.00 0.00 C ATOM 1334 C ALA A 100 -4.133 11.907 1.352 1.00 0.00 C ATOM 1335 O ALA A 100 -3.084 12.456 1.006 1.00 0.00 O ATOM 1336 CB ALA A 100 -5.872 11.990 -0.437 1.00 0.00 C ATOM 0 H ALA A 100 -6.723 10.079 0.851 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.248 10.595 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.286 12.769 -0.924 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -6.397 11.405 -1.193 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.597 12.448 0.235 1.00 0.00 H new ATOM 1342 N ALA A 101 -4.624 12.015 2.582 1.00 0.00 N ATOM 1343 CA ALA A 101 -3.920 12.759 3.615 1.00 0.00 C ATOM 1344 C ALA A 101 -2.772 11.926 4.175 1.00 0.00 C ATOM 1345 O ALA A 101 -1.622 12.366 4.187 1.00 0.00 O ATOM 1346 CB ALA A 101 -4.872 13.171 4.723 1.00 0.00 C ATOM 0 H ALA A 101 -5.504 11.598 2.885 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.507 13.664 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.325 13.726 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.660 13.801 4.310 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.316 12.282 5.171 1.00 0.00 H new ATOM 1352 N GLY A 102 -3.094 10.717 4.632 1.00 0.00 N ATOM 1353 CA GLY A 102 -2.075 9.832 5.170 1.00 0.00 C ATOM 1354 C GLY A 102 -2.526 9.064 6.402 1.00 0.00 C ATOM 1355 O GLY A 102 -1.719 8.778 7.287 1.00 0.00 O ATOM 0 H GLY A 102 -4.040 10.336 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -1.778 9.122 4.398 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -1.191 10.419 5.421 1.00 0.00 H new ATOM 1359 N ASN A 103 -3.808 8.731 6.466 1.00 0.00 N ATOM 1360 CA ASN A 103 -4.351 7.977 7.593 1.00 0.00 C ATOM 1361 C ASN A 103 -5.218 6.831 7.089 1.00 0.00 C ATOM 1362 O ASN A 103 -5.582 6.795 5.915 1.00 0.00 O ATOM 1363 CB ASN A 103 -5.168 8.888 8.510 1.00 0.00 C ATOM 1364 CG ASN A 103 -4.430 9.247 9.783 1.00 0.00 C ATOM 1365 OD1 ASN A 103 -3.597 8.485 10.275 1.00 0.00 O ATOM 1366 ND2 ASN A 103 -4.733 10.411 10.336 1.00 0.00 N ATOM 0 H ASN A 103 -4.494 8.971 5.750 1.00 0.00 H new ATOM 0 HA ASN A 103 -3.518 7.568 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -5.425 9.801 7.973 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -6.106 8.394 8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -4.271 10.702 11.198 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -5.428 11.017 9.900 1.00 0.00 H new ATOM 1373 N GLY A 104 -5.540 5.892 7.969 1.00 0.00 N ATOM 1374 CA GLY A 104 -6.363 4.764 7.582 1.00 0.00 C ATOM 1375 C GLY A 104 -6.022 3.512 8.365 1.00 0.00 C ATOM 1376 O GLY A 104 -5.646 3.599 9.535 1.00 0.00 O ATOM 0 H GLY A 104 -5.245 5.892 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.413 5.012 7.736 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -6.234 4.571 6.517 1.00 0.00 H new ATOM 1380 N PRO A 105 -6.142 2.326 7.751 1.00 0.00 N ATOM 1381 CA PRO A 105 -5.837 1.053 8.416 1.00 0.00 C ATOM 1382 C PRO A 105 -4.341 0.887 8.675 1.00 0.00 C ATOM 1383 O PRO A 105 -3.520 1.636 8.138 1.00 0.00 O ATOM 1384 CB PRO A 105 -6.330 -0.014 7.424 1.00 0.00 C ATOM 1385 CG PRO A 105 -7.142 0.725 6.413 1.00 0.00 C ATOM 1386 CD PRO A 105 -6.588 2.119 6.370 1.00 0.00 C ATOM 0 HA PRO A 105 -6.313 0.985 9.394 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.492 -0.529 6.954 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.928 -0.773 7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.074 0.249 5.435 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.196 0.733 6.691 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.765 2.207 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.343 2.847 6.074 1.00 0.00 H new ATOM 1394 N GLU A 106 -3.988 -0.091 9.496 1.00 0.00 N ATOM 1395 CA GLU A 106 -2.592 -0.346 9.819 1.00 0.00 C ATOM 1396 C GLU A 106 -1.943 -1.185 8.726 1.00 0.00 C ATOM 1397 O GLU A 106 -2.562 -2.110 8.194 1.00 0.00 O ATOM 1398 CB GLU A 106 -2.476 -1.056 11.169 1.00 0.00 C ATOM 1399 CG GLU A 106 -1.058 -1.095 11.719 1.00 0.00 C ATOM 1400 CD GLU A 106 -0.959 -1.898 12.996 1.00 0.00 C ATOM 1401 OE1 GLU A 106 -1.245 -1.343 14.078 1.00 0.00 O ATOM 1402 OE2 GLU A 106 -0.606 -3.094 12.925 1.00 0.00 O ATOM 0 H GLU A 106 -4.649 -0.721 9.951 1.00 0.00 H new ATOM 0 HA GLU A 106 -2.072 0.610 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.122 -0.555 11.890 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -2.845 -2.077 11.066 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -0.392 -1.524 10.970 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.715 -0.077 11.905 1.00 0.00 H new ATOM 1409 N GLY A 107 -0.703 -0.855 8.395 1.00 0.00 N ATOM 1410 CA GLY A 107 0.012 -1.581 7.370 1.00 0.00 C ATOM 1411 C GLY A 107 0.366 -2.987 7.805 1.00 0.00 C ATOM 1412 O GLY A 107 0.868 -3.196 8.910 1.00 0.00 O ATOM 0 H GLY A 107 -0.178 -0.092 8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.597 -1.625 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 107 0.924 -1.041 7.114 1.00 0.00 H new ATOM 1416 N VAL A 108 0.093 -3.951 6.946 1.00 0.00 N ATOM 1417 CA VAL A 108 0.384 -5.343 7.246 1.00 0.00 C ATOM 1418 C VAL A 108 1.658 -5.773 6.536 1.00 0.00 C ATOM 1419 O VAL A 108 1.789 -5.599 5.323 1.00 0.00 O ATOM 1420 CB VAL A 108 -0.784 -6.264 6.833 1.00 0.00 C ATOM 1421 CG1 VAL A 108 -0.448 -7.728 7.089 1.00 0.00 C ATOM 1422 CG2 VAL A 108 -2.051 -5.866 7.576 1.00 0.00 C ATOM 0 H VAL A 108 -0.331 -3.796 6.031 1.00 0.00 H new ATOM 0 HA VAL A 108 0.520 -5.433 8.324 1.00 0.00 H new ATOM 0 HB VAL A 108 -0.951 -6.145 5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.289 -8.352 6.788 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.434 -8.005 6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -0.248 -7.875 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -2.869 -6.522 7.278 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.887 -5.956 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -2.306 -4.834 7.334 1.00 0.00 H new ATOM 1432 N ALA A 109 2.598 -6.311 7.300 1.00 0.00 N ATOM 1433 CA ALA A 109 3.865 -6.758 6.750 1.00 0.00 C ATOM 1434 C ALA A 109 3.743 -8.164 6.175 1.00 0.00 C ATOM 1435 O ALA A 109 3.061 -9.024 6.741 1.00 0.00 O ATOM 1436 CB ALA A 109 4.952 -6.713 7.815 1.00 0.00 C ATOM 0 H ALA A 109 2.504 -6.448 8.306 1.00 0.00 H new ATOM 0 HA ALA A 109 4.141 -6.082 5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.895 -7.051 7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.064 -5.691 8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 109 4.676 -7.364 8.644 1.00 0.00 H new ATOM 1442 N ILE A 110 4.394 -8.385 5.042 1.00 0.00 N ATOM 1443 CA ILE A 110 4.375 -9.679 4.382 1.00 0.00 C ATOM 1444 C ILE A 110 5.791 -10.086 3.992 1.00 0.00 C ATOM 1445 O ILE A 110 6.677 -9.240 3.853 1.00 0.00 O ATOM 1446 CB ILE A 110 3.483 -9.667 3.120 1.00 0.00 C ATOM 1447 CG1 ILE A 110 3.934 -8.571 2.147 1.00 0.00 C ATOM 1448 CG2 ILE A 110 2.022 -9.468 3.503 1.00 0.00 C ATOM 1449 CD1 ILE A 110 3.344 -8.711 0.757 1.00 0.00 C ATOM 0 H ILE A 110 4.946 -7.677 4.558 1.00 0.00 H new ATOM 0 HA ILE A 110 3.959 -10.399 5.087 1.00 0.00 H new ATOM 0 HB ILE A 110 3.584 -10.631 2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.656 -7.599 2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.021 -8.587 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.407 -9.462 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.703 -10.281 4.155 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.909 -8.518 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 110 3.707 -7.901 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.643 -9.668 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.257 -8.665 0.817 1.00 0.00 H new ATOM 1461 N SER A 111 6.009 -11.377 3.834 1.00 0.00 N ATOM 1462 CA SER A 111 7.318 -11.884 3.463 1.00 0.00 C ATOM 1463 C SER A 111 7.183 -13.041 2.484 1.00 0.00 C ATOM 1464 O SER A 111 6.248 -13.838 2.578 1.00 0.00 O ATOM 1465 CB SER A 111 8.082 -12.318 4.716 1.00 0.00 C ATOM 1466 OG SER A 111 8.210 -11.235 5.626 1.00 0.00 O ATOM 0 H SER A 111 5.296 -12.096 3.957 1.00 0.00 H new ATOM 0 HA SER A 111 7.879 -11.090 2.971 1.00 0.00 H new ATOM 0 HB2 SER A 111 7.560 -13.145 5.198 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.070 -12.684 4.437 1.00 0.00 H new ATOM 0 HG SER A 111 8.700 -11.532 6.421 1.00 0.00 H new ATOM 1472 N PHE A 112 8.114 -13.119 1.542 1.00 0.00 N ATOM 1473 CA PHE A 112 8.099 -14.169 0.536 1.00 0.00 C ATOM 1474 C PHE A 112 8.718 -15.444 1.094 1.00 0.00 C ATOM 1475 O PHE A 112 9.565 -15.388 1.986 1.00 0.00 O ATOM 1476 CB PHE A 112 8.855 -13.720 -0.717 1.00 0.00 C ATOM 1477 CG PHE A 112 8.442 -12.365 -1.229 1.00 0.00 C ATOM 1478 CD1 PHE A 112 7.116 -12.094 -1.532 1.00 0.00 C ATOM 1479 CD2 PHE A 112 9.385 -11.366 -1.411 1.00 0.00 C ATOM 1480 CE1 PHE A 112 6.740 -10.852 -2.006 1.00 0.00 C ATOM 1481 CE2 PHE A 112 9.015 -10.122 -1.885 1.00 0.00 C ATOM 1482 CZ PHE A 112 7.690 -9.864 -2.182 1.00 0.00 C ATOM 0 H PHE A 112 8.891 -12.464 1.455 1.00 0.00 H new ATOM 0 HA PHE A 112 7.063 -14.372 0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 112 9.923 -13.705 -0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.702 -14.457 -1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.369 -12.862 -1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.422 -11.562 -1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 112 5.704 -10.653 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 112 9.760 -9.352 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 112 7.398 -8.892 -2.551 1.00 0.00 H new ATOM 1492 N ASN A 113 8.296 -16.587 0.571 1.00 0.00 N ATOM 1493 CA ASN A 113 8.814 -17.875 1.028 1.00 0.00 C ATOM 1494 C ASN A 113 10.251 -18.065 0.566 1.00 0.00 C ATOM 1495 O ASN A 113 11.020 -18.749 1.271 1.00 0.00 O ATOM 1496 CB ASN A 113 7.944 -19.033 0.521 1.00 0.00 C ATOM 1497 CG ASN A 113 7.784 -19.040 -0.990 1.00 0.00 C ATOM 1498 OD1 ASN A 113 8.640 -19.537 -1.721 1.00 0.00 O ATOM 1499 ND2 ASN A 113 6.666 -18.517 -1.467 1.00 0.00 N ATOM 1500 OXT ASN A 113 10.615 -17.506 -0.492 1.00 0.00 O ATOM 0 H ASN A 113 7.597 -16.652 -0.169 1.00 0.00 H new ATOM 0 HA ASN A 113 8.787 -17.877 2.118 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.386 -19.978 0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 113 6.959 -18.970 0.985 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.491 -18.517 -2.472 1.00 0.00 H new ATOM 0 HD22 ASN A 113 5.979 -18.114 -0.830 1.00 0.00 H new