USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 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 23 MET CE :methyl 147:sc= -4.83! (180deg=-6.51!) USER MOD Set 1.2: A 86 THR OG1 : rot -100:sc= -4.19! USER MOD Set 2.1: A 76 GLN : amide:sc= -11.5! C(o=-21!,f=-28!) USER MOD Set 2.2: A 83 MET CE :methyl -131:sc= -9.32! (180deg=-14.2!) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0941 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.037 K(o=-0.037,f=-2.5!) USER MOD Single : A 26 SER OG : rot 96:sc= 1.11 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00827) USER MOD Single : A 35 GLN : amide:sc= -0.929 K(o=-0.93,f=-4.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.668 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.08 K(o=-1.1,f=-7.5!) USER MOD Single : A 65 SER OG : rot 150:sc= -3.93! USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.311 USER MOD Single : A 84 THR OG1 : rot 33:sc= 0.362 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 57:sc= 1.01 USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.61 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -0.0364 X(o=-0.036,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.508 -0.362 -18.868 1.00 0.00 N ATOM 2 CA GLY A 1 1.373 -1.188 -18.491 1.00 0.00 C ATOM 3 C GLY A 1 0.110 -0.342 -18.325 1.00 0.00 C ATOM 4 O GLY A 1 0.188 0.880 -18.212 1.00 0.00 O ATOM 0 H1 GLY A 1 2.730 -0.515 -19.873 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.275 0.640 -18.713 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.332 -0.619 -18.288 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.206 -1.952 -19.251 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.591 -1.709 -17.559 1.00 0.00 H new ATOM 8 N PRO A 2 -1.054 -1.044 -18.315 1.00 0.00 N ATOM 9 CA PRO A 2 -2.333 -0.370 -18.165 1.00 0.00 C ATOM 10 C PRO A 2 -2.550 0.076 -16.719 1.00 0.00 C ATOM 11 O PRO A 2 -1.686 -0.121 -15.866 1.00 0.00 O ATOM 12 CB PRO A 2 -3.367 -1.381 -18.637 1.00 0.00 C ATOM 13 CG PRO A 2 -2.679 -2.735 -18.592 1.00 0.00 C ATOM 14 CD PRO A 2 -1.184 -2.493 -18.445 1.00 0.00 C ATOM 0 HA PRO A 2 -2.397 0.548 -18.749 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.247 -1.369 -17.994 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -3.707 -1.149 -19.646 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.054 -3.326 -17.757 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -2.887 -3.299 -19.501 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.784 -3.006 -17.571 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.636 -2.864 -19.311 1.00 0.00 H new ATOM 22 N LEU A 3 -3.712 0.671 -16.485 1.00 0.00 N ATOM 23 CA LEU A 3 -4.053 1.149 -15.156 1.00 0.00 C ATOM 24 C LEU A 3 -5.540 1.509 -15.114 1.00 0.00 C ATOM 25 O LEU A 3 -5.987 2.402 -15.832 1.00 0.00 O ATOM 26 CB LEU A 3 -3.132 2.298 -14.745 1.00 0.00 C ATOM 27 CG LEU A 3 -3.092 3.498 -15.693 1.00 0.00 C ATOM 28 CD1 LEU A 3 -3.820 4.701 -15.087 1.00 0.00 C ATOM 29 CD2 LEU A 3 -1.653 3.838 -16.088 1.00 0.00 C ATOM 0 H LEU A 3 -4.428 0.832 -17.193 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.892 0.364 -14.418 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -3.439 2.649 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.120 1.907 -14.643 1.00 0.00 H new ATOM 0 HG LEU A 3 -3.621 3.228 -16.607 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.777 5.540 -15.781 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.861 4.439 -14.899 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -3.341 4.981 -14.149 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.653 4.695 -16.762 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.078 4.080 -15.194 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.201 2.982 -16.589 1.00 0.00 H new ATOM 41 N GLY A 4 -6.266 0.795 -14.266 1.00 0.00 N ATOM 42 CA GLY A 4 -7.693 1.027 -14.122 1.00 0.00 C ATOM 43 C GLY A 4 -7.965 2.392 -13.485 1.00 0.00 C ATOM 44 O GLY A 4 -7.273 3.365 -13.775 1.00 0.00 O ATOM 0 H GLY A 4 -5.892 0.055 -13.671 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.174 0.975 -15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.133 0.241 -13.508 1.00 0.00 H new ATOM 48 N SER A 5 -8.973 2.417 -12.626 1.00 0.00 N ATOM 49 CA SER A 5 -9.345 3.647 -11.946 1.00 0.00 C ATOM 50 C SER A 5 -9.664 3.355 -10.479 1.00 0.00 C ATOM 51 O SER A 5 -9.055 3.935 -9.580 1.00 0.00 O ATOM 52 CB SER A 5 -10.542 4.313 -12.627 1.00 0.00 C ATOM 53 OG SER A 5 -10.253 5.648 -13.027 1.00 0.00 O ATOM 0 H SER A 5 -9.543 1.606 -12.385 1.00 0.00 H new ATOM 0 HA SER A 5 -8.502 4.336 -11.999 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.834 3.728 -13.499 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.392 4.315 -11.945 1.00 0.00 H new ATOM 0 HG SER A 5 -11.041 6.038 -13.459 1.00 0.00 H new ATOM 59 N LEU A 6 -10.618 2.457 -10.280 1.00 0.00 N ATOM 60 CA LEU A 6 -11.024 2.082 -8.936 1.00 0.00 C ATOM 61 C LEU A 6 -12.012 0.916 -9.014 1.00 0.00 C ATOM 62 O LEU A 6 -13.044 1.016 -9.677 1.00 0.00 O ATOM 63 CB LEU A 6 -11.565 3.297 -8.181 1.00 0.00 C ATOM 64 CG LEU A 6 -12.794 3.975 -8.792 1.00 0.00 C ATOM 65 CD1 LEU A 6 -13.975 3.947 -7.819 1.00 0.00 C ATOM 66 CD2 LEU A 6 -12.464 5.396 -9.253 1.00 0.00 C ATOM 0 H LEU A 6 -11.121 1.978 -11.027 1.00 0.00 H new ATOM 0 HA LEU A 6 -10.165 1.735 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -11.813 2.988 -7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -10.768 4.036 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 6 -13.092 3.411 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.835 4.435 -8.277 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -14.227 2.913 -7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -13.705 4.473 -6.903 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -13.354 5.855 -9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -12.127 5.986 -8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -11.675 5.361 -10.004 1.00 0.00 H new ATOM 78 N ARG A 7 -11.663 -0.162 -8.326 1.00 0.00 N ATOM 79 CA ARG A 7 -12.507 -1.343 -8.309 1.00 0.00 C ATOM 80 C ARG A 7 -12.020 -2.329 -7.245 1.00 0.00 C ATOM 81 O ARG A 7 -10.816 -2.475 -7.033 1.00 0.00 O ATOM 82 CB ARG A 7 -12.510 -2.039 -9.672 1.00 0.00 C ATOM 83 CG ARG A 7 -13.835 -1.808 -10.402 1.00 0.00 C ATOM 84 CD ARG A 7 -13.617 -1.699 -11.913 1.00 0.00 C ATOM 85 NE ARG A 7 -13.447 -0.281 -12.299 1.00 0.00 N ATOM 86 CZ ARG A 7 -14.390 0.658 -12.148 1.00 0.00 C ATOM 87 NH1 ARG A 7 -15.576 0.334 -11.615 1.00 0.00 N ATOM 88 NH2 ARG A 7 -14.146 1.919 -12.527 1.00 0.00 N ATOM 0 H ARG A 7 -10.807 -0.241 -7.777 1.00 0.00 H new ATOM 0 HA ARG A 7 -13.522 -1.020 -8.075 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.686 -1.663 -10.278 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -12.345 -3.108 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -14.520 -2.628 -10.188 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -14.304 -0.896 -10.032 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -12.736 -2.272 -12.204 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -14.467 -2.129 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 7 -12.555 -0.001 -12.706 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -15.759 -0.627 -11.325 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -16.295 1.048 -11.499 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -13.242 2.164 -12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -14.864 2.634 -12.412 1.00 0.00 H new ATOM 102 N LYS A 8 -12.978 -2.979 -6.602 1.00 0.00 N ATOM 103 CA LYS A 8 -12.660 -3.945 -5.565 1.00 0.00 C ATOM 104 C LYS A 8 -12.024 -5.182 -6.202 1.00 0.00 C ATOM 105 O LYS A 8 -12.703 -6.176 -6.453 1.00 0.00 O ATOM 106 CB LYS A 8 -13.902 -4.256 -4.725 1.00 0.00 C ATOM 107 CG LYS A 8 -14.071 -3.236 -3.599 1.00 0.00 C ATOM 108 CD LYS A 8 -14.583 -1.900 -4.140 1.00 0.00 C ATOM 109 CE LYS A 8 -13.627 -0.761 -3.779 1.00 0.00 C ATOM 110 NZ LYS A 8 -13.726 0.332 -4.772 1.00 0.00 N ATOM 0 H LYS A 8 -13.975 -2.856 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.928 -3.532 -4.871 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.787 -4.250 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.819 -5.258 -4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.768 -3.622 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.117 -3.086 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.691 -1.959 -5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.572 -1.693 -3.732 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.864 -0.380 -2.785 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.604 -1.135 -3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.071 1.097 -4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.478 -0.032 -5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.699 0.700 -4.788 1.00 0.00 H new ATOM 124 N GLU A 9 -10.726 -5.079 -6.445 1.00 0.00 N ATOM 125 CA GLU A 9 -9.990 -6.176 -7.049 1.00 0.00 C ATOM 126 C GLU A 9 -8.484 -5.974 -6.861 1.00 0.00 C ATOM 127 O GLU A 9 -8.029 -4.853 -6.634 1.00 0.00 O ATOM 128 CB GLU A 9 -10.341 -6.324 -8.531 1.00 0.00 C ATOM 129 CG GLU A 9 -9.539 -5.342 -9.385 1.00 0.00 C ATOM 130 CD GLU A 9 -10.215 -5.111 -10.739 1.00 0.00 C ATOM 131 OE1 GLU A 9 -10.555 -6.127 -11.382 1.00 0.00 O ATOM 132 OE2 GLU A 9 -10.379 -3.925 -11.097 1.00 0.00 O ATOM 0 H GLU A 9 -10.165 -4.253 -6.235 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.279 -7.099 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.138 -7.344 -8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.407 -6.150 -8.675 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.440 -4.393 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.531 -5.728 -9.539 1.00 0.00 H new ATOM 139 N PRO A 10 -7.734 -7.103 -6.963 1.00 0.00 N ATOM 140 CA PRO A 10 -6.290 -7.060 -6.807 1.00 0.00 C ATOM 141 C PRO A 10 -5.622 -6.462 -8.046 1.00 0.00 C ATOM 142 O PRO A 10 -5.882 -6.899 -9.167 1.00 0.00 O ATOM 143 CB PRO A 10 -5.879 -8.500 -6.546 1.00 0.00 C ATOM 144 CG PRO A 10 -7.039 -9.357 -7.025 1.00 0.00 C ATOM 145 CD PRO A 10 -8.239 -8.446 -7.229 1.00 0.00 C ATOM 0 HA PRO A 10 -5.975 -6.415 -5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.963 -8.748 -7.082 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.683 -8.664 -5.486 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.781 -9.863 -7.956 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.268 -10.132 -6.294 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.631 -8.528 -8.243 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.052 -8.705 -6.551 1.00 0.00 H new ATOM 153 N GLU A 11 -4.774 -5.473 -7.803 1.00 0.00 N ATOM 154 CA GLU A 11 -4.068 -4.811 -8.886 1.00 0.00 C ATOM 155 C GLU A 11 -3.231 -3.651 -8.343 1.00 0.00 C ATOM 156 O GLU A 11 -3.143 -3.458 -7.132 1.00 0.00 O ATOM 157 CB GLU A 11 -5.041 -4.328 -9.963 1.00 0.00 C ATOM 158 CG GLU A 11 -6.174 -3.506 -9.348 1.00 0.00 C ATOM 159 CD GLU A 11 -6.712 -2.479 -10.346 1.00 0.00 C ATOM 160 OE1 GLU A 11 -5.890 -1.669 -10.827 1.00 0.00 O ATOM 161 OE2 GLU A 11 -7.934 -2.527 -10.610 1.00 0.00 O ATOM 0 H GLU A 11 -4.560 -5.115 -6.872 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.396 -5.533 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.507 -3.725 -10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.455 -5.185 -10.495 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.980 -4.169 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.814 -2.996 -8.454 1.00 0.00 H new ATOM 168 N ILE A 12 -2.637 -2.909 -9.266 1.00 0.00 N ATOM 169 CA ILE A 12 -1.811 -1.772 -8.895 1.00 0.00 C ATOM 170 C ILE A 12 -2.709 -0.583 -8.555 1.00 0.00 C ATOM 171 O ILE A 12 -3.559 -0.192 -9.356 1.00 0.00 O ATOM 172 CB ILE A 12 -0.785 -1.476 -9.992 1.00 0.00 C ATOM 173 CG1 ILE A 12 0.246 -0.451 -9.514 1.00 0.00 C ATOM 174 CG2 ILE A 12 -1.476 -1.033 -11.283 1.00 0.00 C ATOM 175 CD1 ILE A 12 1.480 -0.454 -10.419 1.00 0.00 C ATOM 0 H ILE A 12 -2.711 -3.073 -10.270 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.231 -1.998 -8.000 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.246 -2.397 -10.214 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.201 0.543 -9.505 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.541 -0.677 -8.489 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.725 -0.829 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.140 -1.824 -11.630 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.056 -0.130 -11.094 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.198 0.283 -10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.938 -1.443 -10.406 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.185 -0.204 -11.438 1.00 0.00 H new ATOM 187 N ILE A 13 -2.494 -0.039 -7.366 1.00 0.00 N ATOM 188 CA ILE A 13 -3.273 1.100 -6.910 1.00 0.00 C ATOM 189 C ILE A 13 -2.359 2.318 -6.778 1.00 0.00 C ATOM 190 O ILE A 13 -1.173 2.181 -6.484 1.00 0.00 O ATOM 191 CB ILE A 13 -4.026 0.751 -5.625 1.00 0.00 C ATOM 192 CG1 ILE A 13 -4.386 -0.736 -5.584 1.00 0.00 C ATOM 193 CG2 ILE A 13 -5.257 1.644 -5.452 1.00 0.00 C ATOM 194 CD1 ILE A 13 -5.407 -1.081 -6.671 1.00 0.00 C ATOM 0 H ILE A 13 -1.791 -0.366 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.039 1.357 -7.641 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.365 0.944 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -3.486 -1.336 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.792 -0.989 -4.605 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.775 1.376 -4.531 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.946 2.687 -5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.929 1.506 -6.299 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.647 -2.143 -6.621 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.314 -0.497 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.988 -0.849 -7.650 1.00 0.00 H new ATOM 206 N THR A 14 -2.947 3.486 -7.000 1.00 0.00 N ATOM 207 CA THR A 14 -2.199 4.728 -6.909 1.00 0.00 C ATOM 208 C THR A 14 -2.926 5.722 -6.001 1.00 0.00 C ATOM 209 O THR A 14 -4.101 6.018 -6.213 1.00 0.00 O ATOM 210 CB THR A 14 -1.979 5.252 -8.330 1.00 0.00 C ATOM 211 OG1 THR A 14 -1.315 6.499 -8.141 1.00 0.00 O ATOM 212 CG2 THR A 14 -3.289 5.631 -9.025 1.00 0.00 C ATOM 0 H THR A 14 -3.932 3.597 -7.242 1.00 0.00 H new ATOM 0 HA THR A 14 -1.223 4.570 -6.450 1.00 0.00 H new ATOM 0 HB THR A 14 -1.461 4.495 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.132 6.908 -9.013 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.075 5.996 -10.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.935 4.755 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.791 6.412 -8.454 1.00 0.00 H new ATOM 220 N VAL A 15 -2.198 6.209 -5.007 1.00 0.00 N ATOM 221 CA VAL A 15 -2.758 7.163 -4.066 1.00 0.00 C ATOM 222 C VAL A 15 -2.092 8.526 -4.270 1.00 0.00 C ATOM 223 O VAL A 15 -0.872 8.611 -4.400 1.00 0.00 O ATOM 224 CB VAL A 15 -2.613 6.636 -2.638 1.00 0.00 C ATOM 225 CG1 VAL A 15 -3.705 7.204 -1.729 1.00 0.00 C ATOM 226 CG2 VAL A 15 -2.623 5.105 -2.615 1.00 0.00 C ATOM 0 H VAL A 15 -1.224 5.960 -4.833 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.826 7.293 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.650 6.972 -2.254 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.578 6.813 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.632 8.291 -1.709 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.684 6.913 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.518 4.756 -1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.564 4.741 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.794 4.727 -3.213 1.00 0.00 H new ATOM 236 N THR A 16 -2.923 9.558 -4.291 1.00 0.00 N ATOM 237 CA THR A 16 -2.432 10.912 -4.477 1.00 0.00 C ATOM 238 C THR A 16 -2.540 11.703 -3.173 1.00 0.00 C ATOM 239 O THR A 16 -3.374 11.393 -2.323 1.00 0.00 O ATOM 240 CB THR A 16 -3.207 11.542 -5.636 1.00 0.00 C ATOM 241 OG1 THR A 16 -3.064 10.603 -6.700 1.00 0.00 O ATOM 242 CG2 THR A 16 -2.536 12.811 -6.166 1.00 0.00 C ATOM 0 H THR A 16 -3.934 9.483 -4.182 1.00 0.00 H new ATOM 0 HA THR A 16 -1.373 10.916 -4.735 1.00 0.00 H new ATOM 0 HB THR A 16 -4.221 11.776 -5.311 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.538 10.931 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.126 13.219 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.469 13.549 -5.366 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.534 12.571 -6.523 1.00 0.00 H new ATOM 250 N LEU A 17 -1.685 12.709 -3.053 1.00 0.00 N ATOM 251 CA LEU A 17 -1.675 13.546 -1.866 1.00 0.00 C ATOM 252 C LEU A 17 -2.544 14.781 -2.111 1.00 0.00 C ATOM 253 O LEU A 17 -2.157 15.677 -2.860 1.00 0.00 O ATOM 254 CB LEU A 17 -0.238 13.875 -1.456 1.00 0.00 C ATOM 255 CG LEU A 17 0.468 12.829 -0.591 1.00 0.00 C ATOM 256 CD1 LEU A 17 1.222 13.490 0.565 1.00 0.00 C ATOM 257 CD2 LEU A 17 -0.517 11.767 -0.100 1.00 0.00 C ATOM 0 H LEU A 17 -0.994 12.963 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.109 13.014 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.351 14.027 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.243 14.821 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 17 1.208 12.320 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.714 12.724 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.970 14.176 0.167 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.519 14.042 1.189 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.011 11.036 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.298 12.242 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.968 11.265 -0.956 1.00 0.00 H new ATOM 269 N LYS A 18 -3.702 14.789 -1.468 1.00 0.00 N ATOM 270 CA LYS A 18 -4.628 15.900 -1.607 1.00 0.00 C ATOM 271 C LYS A 18 -4.321 16.951 -0.539 1.00 0.00 C ATOM 272 O LYS A 18 -4.050 18.107 -0.861 1.00 0.00 O ATOM 273 CB LYS A 18 -6.073 15.398 -1.579 1.00 0.00 C ATOM 274 CG LYS A 18 -7.052 16.530 -1.897 1.00 0.00 C ATOM 275 CD LYS A 18 -8.430 16.252 -1.290 1.00 0.00 C ATOM 276 CE LYS A 18 -9.440 17.319 -1.712 1.00 0.00 C ATOM 277 NZ LYS A 18 -10.158 16.896 -2.936 1.00 0.00 N ATOM 0 H LYS A 18 -4.020 14.043 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.501 16.384 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.196 14.592 -2.302 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.299 14.982 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.663 17.471 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.143 16.644 -2.977 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.780 15.270 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.354 16.228 -0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.153 17.492 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.927 18.264 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.840 17.631 -3.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.475 16.753 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.664 16.006 -2.752 1.00 0.00 H new ATOM 291 N LYS A 19 -4.373 16.512 0.711 1.00 0.00 N ATOM 292 CA LYS A 19 -4.103 17.401 1.828 1.00 0.00 C ATOM 293 C LYS A 19 -2.596 17.654 1.921 1.00 0.00 C ATOM 294 O LYS A 19 -2.142 18.402 2.785 1.00 0.00 O ATOM 295 CB LYS A 19 -4.714 16.844 3.115 1.00 0.00 C ATOM 296 CG LYS A 19 -4.777 17.920 4.202 1.00 0.00 C ATOM 297 CD LYS A 19 -6.013 17.737 5.084 1.00 0.00 C ATOM 298 CE LYS A 19 -5.632 17.182 6.456 1.00 0.00 C ATOM 299 NZ LYS A 19 -6.167 18.047 7.532 1.00 0.00 N ATOM 0 H LYS A 19 -4.598 15.553 0.974 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.579 18.368 1.669 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.717 16.467 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.121 16.000 3.468 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.878 17.874 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.798 18.907 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.523 18.693 5.204 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.715 17.060 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.022 16.170 6.567 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.547 17.116 6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.899 17.656 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.775 19.005 7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.204 18.089 7.461 1.00 0.00 H new ATOM 313 N GLN A 20 -1.865 17.016 1.019 1.00 0.00 N ATOM 314 CA GLN A 20 -0.420 17.162 0.988 1.00 0.00 C ATOM 315 C GLN A 20 0.178 16.807 2.353 1.00 0.00 C ATOM 316 O GLN A 20 1.174 17.397 2.770 1.00 0.00 O ATOM 317 CB GLN A 20 -0.021 18.577 0.567 1.00 0.00 C ATOM 318 CG GLN A 20 0.647 18.570 -0.809 1.00 0.00 C ATOM 319 CD GLN A 20 2.166 18.714 -0.684 1.00 0.00 C ATOM 320 OE1 GLN A 20 2.892 17.752 -0.492 1.00 0.00 O ATOM 321 NE2 GLN A 20 2.602 19.964 -0.802 1.00 0.00 N ATOM 0 H GLN A 20 -2.247 16.397 0.304 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.020 16.471 0.246 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.904 19.216 0.544 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.661 19.001 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.408 17.642 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.250 19.385 -1.414 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.939 20.722 -0.962 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.600 20.165 -0.733 1.00 0.00 H new ATOM 330 N ASN A 21 -0.456 15.848 3.009 1.00 0.00 N ATOM 331 CA ASN A 21 0.001 15.408 4.317 1.00 0.00 C ATOM 332 C ASN A 21 0.899 14.180 4.153 1.00 0.00 C ATOM 333 O ASN A 21 0.825 13.483 3.143 1.00 0.00 O ATOM 334 CB ASN A 21 -1.178 15.015 5.208 1.00 0.00 C ATOM 335 CG ASN A 21 -1.339 15.995 6.371 1.00 0.00 C ATOM 336 OD1 ASN A 21 -2.029 16.999 6.281 1.00 0.00 O ATOM 337 ND2 ASN A 21 -0.667 15.653 7.466 1.00 0.00 N ATOM 0 H ASN A 21 -1.283 15.363 2.660 1.00 0.00 H new ATOM 0 HA ASN A 21 0.544 16.232 4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.093 14.994 4.617 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.025 14.008 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.710 16.244 8.296 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.108 14.800 7.476 1.00 0.00 H new ATOM 344 N GLY A 22 1.729 13.954 5.162 1.00 0.00 N ATOM 345 CA GLY A 22 2.640 12.823 5.141 1.00 0.00 C ATOM 346 C GLY A 22 2.060 11.665 4.326 1.00 0.00 C ATOM 347 O GLY A 22 2.636 11.264 3.316 1.00 0.00 O ATOM 0 H GLY A 22 1.789 14.535 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.595 13.129 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.837 12.492 6.161 1.00 0.00 H new ATOM 351 N MET A 23 0.928 11.163 4.793 1.00 0.00 N ATOM 352 CA MET A 23 0.264 10.060 4.119 1.00 0.00 C ATOM 353 C MET A 23 -0.757 9.389 5.040 1.00 0.00 C ATOM 354 O MET A 23 -1.929 9.266 4.688 1.00 0.00 O ATOM 355 CB MET A 23 1.306 9.030 3.676 1.00 0.00 C ATOM 356 CG MET A 23 1.316 8.880 2.153 1.00 0.00 C ATOM 357 SD MET A 23 2.952 9.207 1.520 1.00 0.00 S ATOM 358 CE MET A 23 3.640 7.560 1.575 1.00 0.00 C ATOM 0 H MET A 23 0.453 11.499 5.630 1.00 0.00 H new ATOM 0 HA MET A 23 -0.263 10.455 3.250 1.00 0.00 H new ATOM 0 HB2 MET A 23 2.294 9.335 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.090 8.067 4.138 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.004 7.873 1.876 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.600 9.569 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.341 7.431 0.751 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.162 7.415 2.521 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.838 6.827 1.487 1.00 0.00 H new ATOM 368 N GLY A 24 -0.276 8.973 6.202 1.00 0.00 N ATOM 369 CA GLY A 24 -1.132 8.320 7.177 1.00 0.00 C ATOM 370 C GLY A 24 -1.505 6.908 6.718 1.00 0.00 C ATOM 371 O GLY A 24 -2.677 6.535 6.736 1.00 0.00 O ATOM 0 H GLY A 24 0.697 9.076 6.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.622 8.271 8.139 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.037 8.909 7.325 1.00 0.00 H new ATOM 375 N LEU A 25 -0.485 6.161 6.320 1.00 0.00 N ATOM 376 CA LEU A 25 -0.690 4.799 5.859 1.00 0.00 C ATOM 377 C LEU A 25 -0.044 3.827 6.848 1.00 0.00 C ATOM 378 O LEU A 25 0.838 4.210 7.614 1.00 0.00 O ATOM 379 CB LEU A 25 -0.190 4.639 4.423 1.00 0.00 C ATOM 380 CG LEU A 25 -1.216 4.903 3.320 1.00 0.00 C ATOM 381 CD1 LEU A 25 -1.195 3.790 2.271 1.00 0.00 C ATOM 382 CD2 LEU A 25 -2.614 5.108 3.910 1.00 0.00 C ATOM 0 H LEU A 25 0.486 6.474 6.308 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.754 4.563 5.830 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.653 5.314 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.189 3.624 4.303 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.940 5.827 2.813 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.934 4.004 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.204 3.734 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.431 2.838 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.325 5.294 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.912 4.214 4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.601 5.962 4.587 1.00 0.00 H new ATOM 394 N SER A 26 -0.509 2.586 6.798 1.00 0.00 N ATOM 395 CA SER A 26 0.014 1.557 7.680 1.00 0.00 C ATOM 396 C SER A 26 0.030 0.208 6.957 1.00 0.00 C ATOM 397 O SER A 26 -1.020 -0.383 6.712 1.00 0.00 O ATOM 398 CB SER A 26 -0.815 1.459 8.964 1.00 0.00 C ATOM 399 OG SER A 26 -1.262 2.737 9.409 1.00 0.00 O ATOM 0 H SER A 26 -1.241 2.271 6.161 1.00 0.00 H new ATOM 0 HA SER A 26 1.033 1.828 7.956 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.676 0.814 8.791 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.218 0.991 9.747 1.00 0.00 H new ATOM 0 HG SER A 26 -2.170 2.899 9.079 1.00 0.00 H new ATOM 405 N ILE A 27 1.235 -0.239 6.636 1.00 0.00 N ATOM 406 CA ILE A 27 1.404 -1.507 5.946 1.00 0.00 C ATOM 407 C ILE A 27 2.478 -2.332 6.659 1.00 0.00 C ATOM 408 O ILE A 27 3.105 -1.857 7.603 1.00 0.00 O ATOM 409 CB ILE A 27 1.693 -1.274 4.461 1.00 0.00 C ATOM 410 CG1 ILE A 27 3.198 -1.168 4.205 1.00 0.00 C ATOM 411 CG2 ILE A 27 0.934 -0.051 3.941 1.00 0.00 C ATOM 412 CD1 ILE A 27 3.479 -0.702 2.775 1.00 0.00 C ATOM 0 H ILE A 27 2.104 0.254 6.841 1.00 0.00 H new ATOM 0 HA ILE A 27 0.481 -2.086 5.981 1.00 0.00 H new ATOM 0 HB ILE A 27 1.333 -2.138 3.902 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.643 -0.469 4.913 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.669 -2.136 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.156 0.093 2.884 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.137 -0.206 4.069 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.242 0.833 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.556 -0.635 2.619 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.054 -1.416 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.028 0.277 2.616 1.00 0.00 H new ATOM 424 N VAL A 28 2.653 -3.556 6.180 1.00 0.00 N ATOM 425 CA VAL A 28 3.639 -4.452 6.760 1.00 0.00 C ATOM 426 C VAL A 28 4.165 -5.394 5.675 1.00 0.00 C ATOM 427 O VAL A 28 3.599 -5.471 4.587 1.00 0.00 O ATOM 428 CB VAL A 28 3.034 -5.193 7.954 1.00 0.00 C ATOM 429 CG1 VAL A 28 3.990 -6.267 8.474 1.00 0.00 C ATOM 430 CG2 VAL A 28 2.648 -4.217 9.068 1.00 0.00 C ATOM 0 H VAL A 28 2.129 -3.947 5.397 1.00 0.00 H new ATOM 0 HA VAL A 28 4.490 -3.889 7.142 1.00 0.00 H new ATOM 0 HB VAL A 28 2.125 -5.689 7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.536 -6.779 9.323 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.193 -6.988 7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.924 -5.801 8.789 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.221 -4.770 9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.535 -3.679 9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.914 -3.506 8.690 1.00 0.00 H new ATOM 440 N ALA A 29 5.244 -6.085 6.011 1.00 0.00 N ATOM 441 CA ALA A 29 5.853 -7.019 5.079 1.00 0.00 C ATOM 442 C ALA A 29 6.536 -8.142 5.863 1.00 0.00 C ATOM 443 O ALA A 29 7.479 -7.897 6.613 1.00 0.00 O ATOM 444 CB ALA A 29 6.828 -6.269 4.169 1.00 0.00 C ATOM 0 H ALA A 29 5.712 -6.017 6.915 1.00 0.00 H new ATOM 0 HA ALA A 29 5.095 -7.474 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.285 -6.969 3.470 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.290 -5.501 3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.605 -5.802 4.774 1.00 0.00 H new ATOM 450 N ALA A 30 6.033 -9.351 5.662 1.00 0.00 N ATOM 451 CA ALA A 30 6.581 -10.513 6.341 1.00 0.00 C ATOM 452 C ALA A 30 6.099 -11.784 5.637 1.00 0.00 C ATOM 453 O ALA A 30 5.090 -11.764 4.934 1.00 0.00 O ATOM 454 CB ALA A 30 6.183 -10.478 7.817 1.00 0.00 C ATOM 0 H ALA A 30 5.251 -9.551 5.038 1.00 0.00 H new ATOM 0 HA ALA A 30 7.670 -10.504 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.594 -11.350 8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.574 -9.571 8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.096 -10.488 7.901 1.00 0.00 H new ATOM 460 N LYS A 31 6.844 -12.859 5.851 1.00 0.00 N ATOM 461 CA LYS A 31 6.505 -14.136 5.248 1.00 0.00 C ATOM 462 C LYS A 31 5.418 -14.818 6.080 1.00 0.00 C ATOM 463 O LYS A 31 5.494 -14.840 7.307 1.00 0.00 O ATOM 464 CB LYS A 31 7.761 -14.990 5.059 1.00 0.00 C ATOM 465 CG LYS A 31 8.472 -15.219 6.392 1.00 0.00 C ATOM 466 CD LYS A 31 9.905 -14.681 6.351 1.00 0.00 C ATOM 467 CE LYS A 31 10.850 -15.576 7.153 1.00 0.00 C ATOM 468 NZ LYS A 31 10.536 -15.496 8.598 1.00 0.00 N ATOM 0 H LYS A 31 7.681 -12.871 6.434 1.00 0.00 H new ATOM 0 HA LYS A 31 6.095 -13.987 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.490 -15.949 4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.438 -14.498 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.918 -14.728 7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.486 -16.284 6.622 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.245 -14.621 5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.929 -13.668 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.761 -16.607 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.882 -15.271 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.229 -16.056 9.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 10.577 -14.504 8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.581 -15.872 8.767 1.00 0.00 H new ATOM 482 N GLY A 32 4.431 -15.356 5.381 1.00 0.00 N ATOM 483 CA GLY A 32 3.329 -16.037 6.040 1.00 0.00 C ATOM 484 C GLY A 32 1.988 -15.410 5.653 1.00 0.00 C ATOM 485 O GLY A 32 1.028 -16.121 5.360 1.00 0.00 O ATOM 0 H GLY A 32 4.371 -15.335 4.363 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.333 -17.092 5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.460 -15.987 7.121 1.00 0.00 H new ATOM 489 N ALA A 33 1.964 -14.085 5.665 1.00 0.00 N ATOM 490 CA ALA A 33 0.756 -13.355 5.320 1.00 0.00 C ATOM 491 C ALA A 33 0.625 -13.284 3.797 1.00 0.00 C ATOM 492 O ALA A 33 1.397 -12.590 3.137 1.00 0.00 O ATOM 493 CB ALA A 33 0.794 -11.970 5.967 1.00 0.00 C ATOM 0 H ALA A 33 2.762 -13.498 5.908 1.00 0.00 H new ATOM 0 HA ALA A 33 -0.125 -13.869 5.703 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.112 -11.422 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.857 -12.076 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.664 -11.423 5.605 1.00 0.00 H new ATOM 499 N GLY A 34 -0.356 -14.011 3.284 1.00 0.00 N ATOM 500 CA GLY A 34 -0.597 -14.040 1.851 1.00 0.00 C ATOM 501 C GLY A 34 0.523 -14.785 1.121 1.00 0.00 C ATOM 502 O GLY A 34 0.361 -15.944 0.746 1.00 0.00 O ATOM 0 H GLY A 34 -0.994 -14.585 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.552 -14.524 1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.669 -13.021 1.470 1.00 0.00 H new ATOM 506 N GLN A 35 1.636 -14.087 0.943 1.00 0.00 N ATOM 507 CA GLN A 35 2.783 -14.667 0.265 1.00 0.00 C ATOM 508 C GLN A 35 3.676 -15.402 1.267 1.00 0.00 C ATOM 509 O GLN A 35 4.579 -14.804 1.853 1.00 0.00 O ATOM 510 CB GLN A 35 3.571 -13.598 -0.492 1.00 0.00 C ATOM 511 CG GLN A 35 4.232 -14.185 -1.741 1.00 0.00 C ATOM 512 CD GLN A 35 3.191 -14.483 -2.821 1.00 0.00 C ATOM 513 OE1 GLN A 35 2.011 -14.645 -2.557 1.00 0.00 O ATOM 514 NE2 GLN A 35 3.693 -14.547 -4.052 1.00 0.00 N ATOM 0 H GLN A 35 1.767 -13.125 1.257 1.00 0.00 H new ATOM 0 HA GLN A 35 2.421 -15.389 -0.467 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.905 -12.784 -0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.333 -13.172 0.161 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.973 -13.486 -2.128 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.763 -15.100 -1.480 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.691 -14.401 -4.204 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.080 -14.742 -4.843 1.00 0.00 H new ATOM 523 N ASP A 36 3.394 -16.685 1.436 1.00 0.00 N ATOM 524 CA ASP A 36 4.161 -17.506 2.357 1.00 0.00 C ATOM 525 C ASP A 36 5.644 -17.148 2.239 1.00 0.00 C ATOM 526 O ASP A 36 6.390 -17.255 3.209 1.00 0.00 O ATOM 527 CB ASP A 36 4.007 -18.993 2.029 1.00 0.00 C ATOM 528 CG ASP A 36 2.567 -19.512 2.048 1.00 0.00 C ATOM 529 OD1 ASP A 36 1.734 -18.906 1.344 1.00 0.00 O ATOM 530 OD2 ASP A 36 2.334 -20.507 2.772 1.00 0.00 O ATOM 0 H ASP A 36 2.644 -17.177 0.950 1.00 0.00 H new ATOM 0 HA ASP A 36 3.790 -17.318 3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.431 -19.178 1.042 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.595 -19.570 2.742 1.00 0.00 H new ATOM 535 N LYS A 37 6.025 -16.729 1.040 1.00 0.00 N ATOM 536 CA LYS A 37 7.405 -16.354 0.784 1.00 0.00 C ATOM 537 C LYS A 37 7.532 -14.830 0.828 1.00 0.00 C ATOM 538 O LYS A 37 7.825 -14.199 -0.186 1.00 0.00 O ATOM 539 CB LYS A 37 7.894 -16.974 -0.527 1.00 0.00 C ATOM 540 CG LYS A 37 8.241 -18.452 -0.338 1.00 0.00 C ATOM 541 CD LYS A 37 7.801 -19.278 -1.547 1.00 0.00 C ATOM 542 CE LYS A 37 7.183 -20.607 -1.108 1.00 0.00 C ATOM 543 NZ LYS A 37 8.049 -21.739 -1.509 1.00 0.00 N ATOM 0 H LYS A 37 5.402 -16.641 0.237 1.00 0.00 H new ATOM 0 HA LYS A 37 8.058 -16.751 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.123 -16.872 -1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.771 -16.434 -0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.315 -18.561 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.756 -18.831 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.077 -18.713 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.658 -19.467 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.046 -20.612 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 37 6.195 -20.721 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 7.615 -22.633 -1.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.159 -21.743 -2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.983 -21.637 -1.062 1.00 0.00 H new ATOM 557 N LEU A 38 7.306 -14.284 2.013 1.00 0.00 N ATOM 558 CA LEU A 38 7.390 -12.846 2.203 1.00 0.00 C ATOM 559 C LEU A 38 6.238 -12.169 1.459 1.00 0.00 C ATOM 560 O LEU A 38 6.261 -12.068 0.233 1.00 0.00 O ATOM 561 CB LEU A 38 8.773 -12.332 1.794 1.00 0.00 C ATOM 562 CG LEU A 38 8.800 -10.986 1.066 1.00 0.00 C ATOM 563 CD1 LEU A 38 8.160 -9.888 1.917 1.00 0.00 C ATOM 564 CD2 LEU A 38 10.224 -10.624 0.637 1.00 0.00 C ATOM 0 H LEU A 38 7.065 -14.812 2.852 1.00 0.00 H new ATOM 0 HA LEU A 38 7.280 -12.594 3.258 1.00 0.00 H new ATOM 0 HB2 LEU A 38 9.388 -12.250 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 38 9.241 -13.079 1.153 1.00 0.00 H new ATOM 0 HG LEU A 38 8.203 -11.076 0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.193 -8.943 1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.123 -10.149 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.707 -9.789 2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 38 10.216 -9.663 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.864 -10.558 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.608 -11.392 -0.034 1.00 0.00 H new ATOM 576 N GLY A 39 5.259 -11.721 2.231 1.00 0.00 N ATOM 577 CA GLY A 39 4.099 -11.057 1.661 1.00 0.00 C ATOM 578 C GLY A 39 3.832 -9.723 2.361 1.00 0.00 C ATOM 579 O GLY A 39 3.975 -9.618 3.578 1.00 0.00 O ATOM 0 H GLY A 39 5.245 -11.805 3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.259 -10.887 0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.225 -11.702 1.753 1.00 0.00 H new ATOM 583 N ILE A 40 3.450 -8.738 1.562 1.00 0.00 N ATOM 584 CA ILE A 40 3.161 -7.416 2.090 1.00 0.00 C ATOM 585 C ILE A 40 1.660 -7.292 2.354 1.00 0.00 C ATOM 586 O ILE A 40 0.853 -7.928 1.678 1.00 0.00 O ATOM 587 CB ILE A 40 3.713 -6.335 1.158 1.00 0.00 C ATOM 588 CG1 ILE A 40 4.946 -6.836 0.405 1.00 0.00 C ATOM 589 CG2 ILE A 40 3.996 -5.042 1.924 1.00 0.00 C ATOM 590 CD1 ILE A 40 5.413 -5.812 -0.630 1.00 0.00 C ATOM 0 H ILE A 40 3.334 -8.829 0.553 1.00 0.00 H new ATOM 0 HA ILE A 40 3.665 -7.270 3.045 1.00 0.00 H new ATOM 0 HB ILE A 40 2.951 -6.107 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.751 -7.036 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.715 -7.779 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.387 -4.291 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.073 -4.676 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.730 -5.236 2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.291 -6.195 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.615 -5.632 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.667 -4.878 -0.129 1.00 0.00 H new ATOM 602 N TYR A 41 1.330 -6.469 3.340 1.00 0.00 N ATOM 603 CA TYR A 41 -0.062 -6.255 3.700 1.00 0.00 C ATOM 604 C TYR A 41 -0.294 -4.812 4.151 1.00 0.00 C ATOM 605 O TYR A 41 0.657 -4.086 4.441 1.00 0.00 O ATOM 606 CB TYR A 41 -0.342 -7.195 4.873 1.00 0.00 C ATOM 607 CG TYR A 41 -1.683 -7.925 4.778 1.00 0.00 C ATOM 608 CD1 TYR A 41 -1.965 -8.711 3.679 1.00 0.00 C ATOM 609 CD2 TYR A 41 -2.610 -7.801 5.792 1.00 0.00 C ATOM 610 CE1 TYR A 41 -3.226 -9.399 3.590 1.00 0.00 C ATOM 611 CE2 TYR A 41 -3.873 -8.487 5.703 1.00 0.00 C ATOM 612 CZ TYR A 41 -4.118 -9.254 4.606 1.00 0.00 C ATOM 613 OH TYR A 41 -5.310 -9.903 4.522 1.00 0.00 O ATOM 0 H TYR A 41 2.002 -5.943 3.900 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.714 -6.445 2.847 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.458 -7.933 4.933 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.317 -6.621 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -1.239 -8.810 2.885 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.388 -7.189 6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.459 -10.017 2.735 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.609 -8.395 6.488 1.00 0.00 H new ATOM 0 HH TYR A 41 -5.846 -9.708 5.319 1.00 0.00 H new ATOM 623 N VAL A 42 -1.565 -4.436 4.196 1.00 0.00 N ATOM 624 CA VAL A 42 -1.934 -3.093 4.608 1.00 0.00 C ATOM 625 C VAL A 42 -2.704 -3.163 5.929 1.00 0.00 C ATOM 626 O VAL A 42 -3.769 -3.775 5.998 1.00 0.00 O ATOM 627 CB VAL A 42 -2.720 -2.402 3.492 1.00 0.00 C ATOM 628 CG1 VAL A 42 -3.405 -1.135 4.007 1.00 0.00 C ATOM 629 CG2 VAL A 42 -1.819 -2.091 2.297 1.00 0.00 C ATOM 0 H VAL A 42 -2.351 -5.039 3.954 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.044 -2.488 4.783 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.496 -3.089 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.957 -0.663 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.094 -1.395 4.810 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.653 -0.442 4.385 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.403 -1.600 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.010 -1.432 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.400 -3.018 1.906 1.00 0.00 H new ATOM 639 N LYS A 43 -2.135 -2.527 6.943 1.00 0.00 N ATOM 640 CA LYS A 43 -2.754 -2.508 8.257 1.00 0.00 C ATOM 641 C LYS A 43 -3.957 -1.562 8.236 1.00 0.00 C ATOM 642 O LYS A 43 -5.042 -1.923 8.689 1.00 0.00 O ATOM 643 CB LYS A 43 -1.721 -2.164 9.331 1.00 0.00 C ATOM 644 CG LYS A 43 -2.378 -2.060 10.709 1.00 0.00 C ATOM 645 CD LYS A 43 -1.714 -0.970 11.553 1.00 0.00 C ATOM 646 CE LYS A 43 -1.076 -1.562 12.811 1.00 0.00 C ATOM 647 NZ LYS A 43 -0.691 -0.486 13.752 1.00 0.00 N ATOM 0 H LYS A 43 -1.252 -2.021 6.881 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.130 -3.498 8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.944 -2.928 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.234 -1.221 9.084 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.439 -1.840 10.594 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.305 -3.018 11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.954 -0.460 10.961 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.455 -0.221 11.835 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.776 -2.243 13.295 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.198 -2.147 12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.259 -0.905 14.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.007 0.148 13.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.536 0.055 14.025 1.00 0.00 H new ATOM 661 N SER A 44 -3.725 -0.373 7.703 1.00 0.00 N ATOM 662 CA SER A 44 -4.776 0.627 7.617 1.00 0.00 C ATOM 663 C SER A 44 -4.161 2.025 7.524 1.00 0.00 C ATOM 664 O SER A 44 -2.949 2.185 7.652 1.00 0.00 O ATOM 665 CB SER A 44 -5.718 0.541 8.819 1.00 0.00 C ATOM 666 OG SER A 44 -5.015 0.286 10.033 1.00 0.00 O ATOM 0 H SER A 44 -2.824 -0.078 7.326 1.00 0.00 H new ATOM 0 HA SER A 44 -5.360 0.433 6.717 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.274 1.474 8.911 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.449 -0.250 8.651 1.00 0.00 H new ATOM 0 HG SER A 44 -5.652 0.240 10.776 1.00 0.00 H new ATOM 672 N VAL A 45 -5.028 3.004 7.302 1.00 0.00 N ATOM 673 CA VAL A 45 -4.586 4.384 7.190 1.00 0.00 C ATOM 674 C VAL A 45 -4.594 5.031 8.577 1.00 0.00 C ATOM 675 O VAL A 45 -5.596 4.970 9.288 1.00 0.00 O ATOM 676 CB VAL A 45 -5.453 5.131 6.176 1.00 0.00 C ATOM 677 CG1 VAL A 45 -5.441 4.425 4.820 1.00 0.00 C ATOM 678 CG2 VAL A 45 -6.884 5.296 6.695 1.00 0.00 C ATOM 0 H VAL A 45 -6.033 2.868 7.197 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.563 4.429 6.816 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.028 6.126 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.065 4.977 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.420 4.381 4.442 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.829 3.413 4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.480 5.830 5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.322 4.314 6.873 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.870 5.861 7.627 1.00 0.00 H new ATOM 688 N VAL A 46 -3.466 5.637 8.919 1.00 0.00 N ATOM 689 CA VAL A 46 -3.332 6.295 10.208 1.00 0.00 C ATOM 690 C VAL A 46 -4.638 7.015 10.547 1.00 0.00 C ATOM 691 O VAL A 46 -4.998 7.141 11.716 1.00 0.00 O ATOM 692 CB VAL A 46 -2.121 7.229 10.194 1.00 0.00 C ATOM 693 CG1 VAL A 46 -2.169 8.208 11.369 1.00 0.00 C ATOM 694 CG2 VAL A 46 -0.814 6.434 10.194 1.00 0.00 C ATOM 0 H VAL A 46 -2.637 5.686 8.326 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.152 5.562 10.994 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.158 7.811 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.296 8.860 11.335 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.075 8.810 11.304 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.170 7.652 12.306 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.031 7.123 10.184 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.766 5.813 11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.775 5.799 9.309 1.00 0.00 H new ATOM 704 N LYS A 47 -5.317 7.467 9.502 1.00 0.00 N ATOM 705 CA LYS A 47 -6.576 8.172 9.674 1.00 0.00 C ATOM 706 C LYS A 47 -6.296 9.660 9.900 1.00 0.00 C ATOM 707 O LYS A 47 -7.081 10.349 10.550 1.00 0.00 O ATOM 708 CB LYS A 47 -7.402 7.524 10.787 1.00 0.00 C ATOM 709 CG LYS A 47 -8.873 7.940 10.690 1.00 0.00 C ATOM 710 CD LYS A 47 -9.721 6.812 10.100 1.00 0.00 C ATOM 711 CE LYS A 47 -11.213 7.142 10.191 1.00 0.00 C ATOM 712 NZ LYS A 47 -11.972 6.403 9.160 1.00 0.00 N ATOM 0 H LYS A 47 -5.018 7.358 8.533 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.183 8.097 8.772 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.322 6.439 10.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.001 7.814 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.247 8.202 11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.963 8.831 10.069 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -9.444 6.650 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.517 5.883 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -11.588 6.884 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -11.363 8.214 10.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.982 6.639 9.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.625 6.669 8.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.844 5.381 9.301 1.00 0.00 H new ATOM 726 N GLY A 48 -5.177 10.109 9.354 1.00 0.00 N ATOM 727 CA GLY A 48 -4.785 11.501 9.487 1.00 0.00 C ATOM 728 C GLY A 48 -3.730 11.876 8.446 1.00 0.00 C ATOM 729 O GLY A 48 -2.732 12.520 8.769 1.00 0.00 O ATOM 0 H GLY A 48 -4.528 9.533 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.659 12.141 9.370 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.392 11.678 10.488 1.00 0.00 H new ATOM 733 N GLY A 49 -3.984 11.457 7.215 1.00 0.00 N ATOM 734 CA GLY A 49 -3.068 11.742 6.123 1.00 0.00 C ATOM 735 C GLY A 49 -3.831 12.034 4.829 1.00 0.00 C ATOM 736 O GLY A 49 -5.017 11.731 4.722 1.00 0.00 O ATOM 0 H GLY A 49 -4.811 10.922 6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.443 12.597 6.382 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.401 10.893 5.972 1.00 0.00 H new ATOM 740 N ALA A 50 -3.117 12.619 3.878 1.00 0.00 N ATOM 741 CA ALA A 50 -3.711 12.955 2.595 1.00 0.00 C ATOM 742 C ALA A 50 -4.152 11.670 1.890 1.00 0.00 C ATOM 743 O ALA A 50 -5.328 11.506 1.570 1.00 0.00 O ATOM 744 CB ALA A 50 -2.711 13.763 1.765 1.00 0.00 C ATOM 0 H ALA A 50 -2.132 12.869 3.970 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.596 13.576 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.157 14.015 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.453 14.679 2.297 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.810 13.171 1.604 1.00 0.00 H new ATOM 750 N ALA A 51 -3.185 10.794 1.670 1.00 0.00 N ATOM 751 CA ALA A 51 -3.459 9.528 1.008 1.00 0.00 C ATOM 752 C ALA A 51 -4.301 8.647 1.931 1.00 0.00 C ATOM 753 O ALA A 51 -4.885 7.659 1.488 1.00 0.00 O ATOM 754 CB ALA A 51 -2.137 8.864 0.612 1.00 0.00 C ATOM 0 H ALA A 51 -2.211 10.934 1.937 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.031 9.687 0.094 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.341 7.915 0.116 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.590 9.518 -0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.538 8.685 1.505 1.00 0.00 H new ATOM 760 N ASP A 52 -4.337 9.036 3.197 1.00 0.00 N ATOM 761 CA ASP A 52 -5.100 8.293 4.187 1.00 0.00 C ATOM 762 C ASP A 52 -6.596 8.507 3.938 1.00 0.00 C ATOM 763 O ASP A 52 -7.356 7.544 3.842 1.00 0.00 O ATOM 764 CB ASP A 52 -4.783 8.777 5.603 1.00 0.00 C ATOM 765 CG ASP A 52 -6.002 8.998 6.500 1.00 0.00 C ATOM 766 OD1 ASP A 52 -6.813 8.051 6.598 1.00 0.00 O ATOM 767 OD2 ASP A 52 -6.097 10.108 7.067 1.00 0.00 O ATOM 0 H ASP A 52 -3.851 9.856 3.560 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.833 7.240 4.097 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.127 8.050 6.081 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.227 9.712 5.535 1.00 0.00 H new ATOM 772 N VAL A 53 -6.971 9.773 3.841 1.00 0.00 N ATOM 773 CA VAL A 53 -8.361 10.125 3.605 1.00 0.00 C ATOM 774 C VAL A 53 -8.677 9.970 2.118 1.00 0.00 C ATOM 775 O VAL A 53 -9.669 9.340 1.753 1.00 0.00 O ATOM 776 CB VAL A 53 -8.640 11.534 4.132 1.00 0.00 C ATOM 777 CG1 VAL A 53 -8.719 12.543 2.984 1.00 0.00 C ATOM 778 CG2 VAL A 53 -9.918 11.563 4.973 1.00 0.00 C ATOM 0 H VAL A 53 -6.337 10.568 3.921 1.00 0.00 H new ATOM 0 HA VAL A 53 -9.023 9.451 4.149 1.00 0.00 H new ATOM 0 HB VAL A 53 -7.808 11.821 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.918 13.536 3.386 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -7.773 12.553 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.522 12.259 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.092 12.576 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -10.763 11.245 4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -9.810 10.888 5.822 1.00 0.00 H new ATOM 788 N ASP A 54 -7.814 10.554 1.298 1.00 0.00 N ATOM 789 CA ASP A 54 -7.989 10.487 -0.143 1.00 0.00 C ATOM 790 C ASP A 54 -7.947 9.025 -0.590 1.00 0.00 C ATOM 791 O ASP A 54 -8.832 8.567 -1.312 1.00 0.00 O ATOM 792 CB ASP A 54 -6.871 11.237 -0.869 1.00 0.00 C ATOM 793 CG ASP A 54 -7.104 11.459 -2.364 1.00 0.00 C ATOM 794 OD1 ASP A 54 -8.085 12.164 -2.687 1.00 0.00 O ATOM 795 OD2 ASP A 54 -6.298 10.920 -3.151 1.00 0.00 O ATOM 0 H ASP A 54 -6.992 11.075 1.604 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.947 10.945 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.735 12.207 -0.390 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.940 10.684 -0.740 1.00 0.00 H new ATOM 800 N GLY A 55 -6.909 8.333 -0.145 1.00 0.00 N ATOM 801 CA GLY A 55 -6.739 6.932 -0.491 1.00 0.00 C ATOM 802 C GLY A 55 -7.883 6.086 0.071 1.00 0.00 C ATOM 803 O GLY A 55 -8.549 5.364 -0.671 1.00 0.00 O ATOM 0 H GLY A 55 -6.177 8.716 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.700 6.824 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.788 6.570 -0.100 1.00 0.00 H new ATOM 807 N ARG A 56 -8.077 6.203 1.376 1.00 0.00 N ATOM 808 CA ARG A 56 -9.129 5.459 2.047 1.00 0.00 C ATOM 809 C ARG A 56 -8.969 3.960 1.783 1.00 0.00 C ATOM 810 O ARG A 56 -9.943 3.271 1.481 1.00 0.00 O ATOM 811 CB ARG A 56 -10.511 5.909 1.572 1.00 0.00 C ATOM 812 CG ARG A 56 -11.618 5.249 2.399 1.00 0.00 C ATOM 813 CD ARG A 56 -12.811 6.191 2.566 1.00 0.00 C ATOM 814 NE ARG A 56 -14.043 5.408 2.816 1.00 0.00 N ATOM 815 CZ ARG A 56 -14.409 4.947 4.019 1.00 0.00 C ATOM 816 NH1 ARG A 56 -13.640 5.188 5.090 1.00 0.00 N ATOM 817 NH2 ARG A 56 -15.542 4.245 4.152 1.00 0.00 N ATOM 0 H ARG A 56 -7.523 6.803 1.987 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.044 5.655 3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.591 6.993 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.638 5.655 0.520 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.942 4.329 1.912 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.229 4.971 3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.631 6.876 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.933 6.800 1.670 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.651 5.207 2.022 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.777 5.722 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.918 4.837 6.007 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.127 4.061 3.337 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -15.820 3.894 5.069 1.00 0.00 H new ATOM 831 N LEU A 57 -7.733 3.498 1.905 1.00 0.00 N ATOM 832 CA LEU A 57 -7.434 2.093 1.683 1.00 0.00 C ATOM 833 C LEU A 57 -8.044 1.261 2.813 1.00 0.00 C ATOM 834 O LEU A 57 -8.147 1.727 3.946 1.00 0.00 O ATOM 835 CB LEU A 57 -5.928 1.887 1.512 1.00 0.00 C ATOM 836 CG LEU A 57 -5.287 2.592 0.313 1.00 0.00 C ATOM 837 CD1 LEU A 57 -3.761 2.577 0.422 1.00 0.00 C ATOM 838 CD2 LEU A 57 -5.773 1.983 -1.003 1.00 0.00 C ATOM 0 H LEU A 57 -6.927 4.071 2.155 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.887 1.749 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.429 2.229 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.735 0.818 1.426 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.601 3.636 0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.330 3.084 -0.441 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.456 3.091 1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.408 1.546 0.451 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.303 2.501 -1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.507 0.926 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.856 2.087 -1.074 1.00 0.00 H new ATOM 850 N ALA A 58 -8.433 0.043 2.465 1.00 0.00 N ATOM 851 CA ALA A 58 -9.030 -0.858 3.435 1.00 0.00 C ATOM 852 C ALA A 58 -7.921 -1.545 4.235 1.00 0.00 C ATOM 853 O ALA A 58 -6.769 -1.579 3.805 1.00 0.00 O ATOM 854 CB ALA A 58 -9.935 -1.859 2.712 1.00 0.00 C ATOM 0 H ALA A 58 -8.346 -0.341 1.524 1.00 0.00 H new ATOM 0 HA ALA A 58 -9.652 -0.307 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.383 -2.536 3.440 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.722 -1.322 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.345 -2.433 1.998 1.00 0.00 H new ATOM 860 N ALA A 59 -8.308 -2.078 5.385 1.00 0.00 N ATOM 861 CA ALA A 59 -7.362 -2.763 6.248 1.00 0.00 C ATOM 862 C ALA A 59 -7.340 -4.251 5.895 1.00 0.00 C ATOM 863 O ALA A 59 -8.359 -4.932 5.996 1.00 0.00 O ATOM 864 CB ALA A 59 -7.735 -2.516 7.711 1.00 0.00 C ATOM 0 H ALA A 59 -9.264 -2.049 5.739 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.355 -2.374 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.025 -3.030 8.359 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.707 -1.446 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.739 -2.896 7.900 1.00 0.00 H new ATOM 870 N GLY A 60 -6.168 -4.713 5.487 1.00 0.00 N ATOM 871 CA GLY A 60 -5.999 -6.109 5.118 1.00 0.00 C ATOM 872 C GLY A 60 -5.813 -6.257 3.607 1.00 0.00 C ATOM 873 O GLY A 60 -6.400 -7.143 2.989 1.00 0.00 O ATOM 0 H GLY A 60 -5.325 -4.145 5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.135 -6.524 5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.869 -6.682 5.439 1.00 0.00 H new ATOM 877 N ASP A 61 -4.992 -5.375 3.055 1.00 0.00 N ATOM 878 CA ASP A 61 -4.721 -5.397 1.628 1.00 0.00 C ATOM 879 C ASP A 61 -3.337 -6.002 1.385 1.00 0.00 C ATOM 880 O ASP A 61 -2.335 -5.486 1.879 1.00 0.00 O ATOM 881 CB ASP A 61 -4.728 -3.983 1.044 1.00 0.00 C ATOM 882 CG ASP A 61 -5.824 -3.065 1.587 1.00 0.00 C ATOM 883 OD1 ASP A 61 -6.766 -3.608 2.202 1.00 0.00 O ATOM 884 OD2 ASP A 61 -5.693 -1.839 1.377 1.00 0.00 O ATOM 0 H ASP A 61 -4.506 -4.641 3.570 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.499 -5.990 1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.760 -3.521 1.237 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.837 -4.054 -0.038 1.00 0.00 H new ATOM 889 N GLN A 62 -3.324 -7.088 0.625 1.00 0.00 N ATOM 890 CA GLN A 62 -2.079 -7.768 0.311 1.00 0.00 C ATOM 891 C GLN A 62 -1.279 -6.963 -0.712 1.00 0.00 C ATOM 892 O GLN A 62 -1.663 -6.876 -1.878 1.00 0.00 O ATOM 893 CB GLN A 62 -2.343 -9.187 -0.193 1.00 0.00 C ATOM 894 CG GLN A 62 -1.034 -9.961 -0.362 1.00 0.00 C ATOM 895 CD GLN A 62 -1.058 -10.808 -1.636 1.00 0.00 C ATOM 896 OE1 GLN A 62 -1.832 -10.579 -2.552 1.00 0.00 O ATOM 897 NE2 GLN A 62 -0.174 -11.801 -1.643 1.00 0.00 N ATOM 0 H GLN A 62 -4.157 -7.514 0.218 1.00 0.00 H new ATOM 0 HA GLN A 62 -1.489 -7.846 1.224 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.992 -9.711 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.871 -9.146 -1.146 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.197 -9.263 -0.401 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.873 -10.604 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.445 -11.938 -0.844 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.115 -12.426 -2.447 1.00 0.00 H new ATOM 906 N LEU A 63 -0.179 -6.393 -0.240 1.00 0.00 N ATOM 907 CA LEU A 63 0.681 -5.598 -1.100 1.00 0.00 C ATOM 908 C LEU A 63 1.808 -6.478 -1.642 1.00 0.00 C ATOM 909 O LEU A 63 2.156 -7.490 -1.037 1.00 0.00 O ATOM 910 CB LEU A 63 1.174 -4.353 -0.360 1.00 0.00 C ATOM 911 CG LEU A 63 2.099 -3.425 -1.151 1.00 0.00 C ATOM 912 CD1 LEU A 63 1.308 -2.292 -1.808 1.00 0.00 C ATOM 913 CD2 LEU A 63 3.231 -2.896 -0.268 1.00 0.00 C ATOM 0 H LEU A 63 0.136 -6.466 0.727 1.00 0.00 H new ATOM 0 HA LEU A 63 0.123 -5.229 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.306 -3.779 -0.037 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.697 -4.673 0.541 1.00 0.00 H new ATOM 0 HG LEU A 63 2.559 -4.004 -1.952 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.989 -1.647 -2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.569 -2.712 -2.490 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.802 -1.708 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.873 -2.239 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.810 -2.339 0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.817 -3.733 0.112 1.00 0.00 H new ATOM 925 N LEU A 64 2.348 -6.061 -2.779 1.00 0.00 N ATOM 926 CA LEU A 64 3.429 -6.798 -3.409 1.00 0.00 C ATOM 927 C LEU A 64 4.354 -5.820 -4.135 1.00 0.00 C ATOM 928 O LEU A 64 5.569 -6.003 -4.150 1.00 0.00 O ATOM 929 CB LEU A 64 2.870 -7.902 -4.311 1.00 0.00 C ATOM 930 CG LEU A 64 1.515 -8.481 -3.901 1.00 0.00 C ATOM 931 CD1 LEU A 64 0.381 -7.509 -4.233 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.293 -9.857 -4.532 1.00 0.00 C ATOM 0 H LEU A 64 2.056 -5.222 -3.280 1.00 0.00 H new ATOM 0 HA LEU A 64 4.032 -7.307 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.783 -7.507 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.594 -8.716 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 64 1.515 -8.619 -2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.572 -7.945 -3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.537 -6.572 -3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.369 -7.317 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.322 -10.246 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.321 -9.768 -5.618 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.078 -10.539 -4.204 1.00 0.00 H new ATOM 944 N SER A 65 3.741 -4.800 -4.720 1.00 0.00 N ATOM 945 CA SER A 65 4.494 -3.792 -5.447 1.00 0.00 C ATOM 946 C SER A 65 4.558 -2.499 -4.631 1.00 0.00 C ATOM 947 O SER A 65 3.641 -2.194 -3.872 1.00 0.00 O ATOM 948 CB SER A 65 3.874 -3.524 -6.820 1.00 0.00 C ATOM 949 OG SER A 65 2.975 -2.418 -6.792 1.00 0.00 O ATOM 0 H SER A 65 2.732 -4.651 -4.705 1.00 0.00 H new ATOM 0 HA SER A 65 5.506 -4.167 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.666 -3.330 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.344 -4.414 -7.159 1.00 0.00 H new ATOM 0 HG SER A 65 2.972 -1.977 -7.667 1.00 0.00 H new ATOM 955 N VAL A 66 5.651 -1.774 -4.818 1.00 0.00 N ATOM 956 CA VAL A 66 5.848 -0.520 -4.109 1.00 0.00 C ATOM 957 C VAL A 66 6.052 0.607 -5.123 1.00 0.00 C ATOM 958 O VAL A 66 6.488 0.365 -6.246 1.00 0.00 O ATOM 959 CB VAL A 66 7.009 -0.655 -3.122 1.00 0.00 C ATOM 960 CG1 VAL A 66 8.099 0.379 -3.416 1.00 0.00 C ATOM 961 CG2 VAL A 66 6.517 -0.535 -1.678 1.00 0.00 C ATOM 0 H VAL A 66 6.409 -2.030 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 66 4.966 -0.271 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 66 7.443 -1.647 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.913 0.263 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.479 0.229 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.681 1.382 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.362 -0.634 -0.996 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.047 0.438 -1.534 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.792 -1.323 -1.474 1.00 0.00 H new ATOM 971 N ASP A 67 5.723 1.816 -4.690 1.00 0.00 N ATOM 972 CA ASP A 67 5.864 2.982 -5.546 1.00 0.00 C ATOM 973 C ASP A 67 7.350 3.280 -5.751 1.00 0.00 C ATOM 974 O ASP A 67 8.033 3.717 -4.826 1.00 0.00 O ATOM 975 CB ASP A 67 5.217 4.214 -4.908 1.00 0.00 C ATOM 976 CG ASP A 67 5.373 5.510 -5.705 1.00 0.00 C ATOM 977 OD1 ASP A 67 6.368 5.598 -6.456 1.00 0.00 O ATOM 978 OD2 ASP A 67 4.495 6.385 -5.543 1.00 0.00 O ATOM 0 H ASP A 67 5.359 2.013 -3.758 1.00 0.00 H new ATOM 0 HA ASP A 67 5.372 2.767 -6.495 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.154 4.017 -4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.647 4.360 -3.917 1.00 0.00 H new ATOM 983 N GLY A 68 7.808 3.033 -6.970 1.00 0.00 N ATOM 984 CA GLY A 68 9.200 3.270 -7.310 1.00 0.00 C ATOM 985 C GLY A 68 9.878 1.978 -7.775 1.00 0.00 C ATOM 986 O GLY A 68 10.874 2.022 -8.495 1.00 0.00 O ATOM 0 H GLY A 68 7.238 2.671 -7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 68 9.263 4.022 -8.097 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.727 3.670 -6.444 1.00 0.00 H new ATOM 990 N ARG A 69 9.310 0.863 -7.345 1.00 0.00 N ATOM 991 CA ARG A 69 9.847 -0.439 -7.709 1.00 0.00 C ATOM 992 C ARG A 69 8.731 -1.483 -7.739 1.00 0.00 C ATOM 993 O ARG A 69 8.012 -1.657 -6.758 1.00 0.00 O ATOM 994 CB ARG A 69 10.929 -0.883 -6.723 1.00 0.00 C ATOM 995 CG ARG A 69 12.081 0.123 -6.680 1.00 0.00 C ATOM 996 CD ARG A 69 13.110 -0.266 -5.616 1.00 0.00 C ATOM 997 NE ARG A 69 14.359 -0.726 -6.265 1.00 0.00 N ATOM 998 CZ ARG A 69 15.175 0.069 -6.971 1.00 0.00 C ATOM 999 NH1 ARG A 69 14.879 1.367 -7.125 1.00 0.00 N ATOM 1000 NH2 ARG A 69 16.286 -0.435 -7.524 1.00 0.00 N ATOM 0 H ARG A 69 8.484 0.832 -6.748 1.00 0.00 H new ATOM 0 HA ARG A 69 10.291 -0.350 -8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.497 -0.989 -5.728 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.309 -1.863 -7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 69 12.563 0.171 -7.656 1.00 0.00 H new ATOM 0 HG3 ARG A 69 11.691 1.119 -6.467 1.00 0.00 H new ATOM 0 HD2 ARG A 69 13.319 0.587 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.708 -1.055 -4.981 1.00 0.00 H new ATOM 0 HE ARG A 69 14.614 -1.709 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 69 14.032 1.750 -6.705 1.00 0.00 H new ATOM 0 HH12 ARG A 69 15.500 1.972 -7.662 1.00 0.00 H new ATOM 0 HH21 ARG A 69 16.510 -1.423 -7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 69 16.908 0.169 -8.061 1.00 0.00 H new ATOM 1014 N SER A 70 8.623 -2.154 -8.876 1.00 0.00 N ATOM 1015 CA SER A 70 7.608 -3.178 -9.047 1.00 0.00 C ATOM 1016 C SER A 70 8.010 -4.447 -8.292 1.00 0.00 C ATOM 1017 O SER A 70 8.451 -5.422 -8.899 1.00 0.00 O ATOM 1018 CB SER A 70 7.384 -3.492 -10.527 1.00 0.00 C ATOM 1019 OG SER A 70 7.099 -2.318 -11.284 1.00 0.00 O ATOM 0 H SER A 70 9.222 -2.008 -9.688 1.00 0.00 H new ATOM 0 HA SER A 70 6.671 -2.800 -8.637 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.271 -3.979 -10.933 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.559 -4.197 -10.627 1.00 0.00 H new ATOM 0 HG SER A 70 6.964 -2.560 -12.224 1.00 0.00 H new ATOM 1025 N LEU A 71 7.845 -4.393 -6.978 1.00 0.00 N ATOM 1026 CA LEU A 71 8.187 -5.525 -6.134 1.00 0.00 C ATOM 1027 C LEU A 71 7.450 -6.769 -6.635 1.00 0.00 C ATOM 1028 O LEU A 71 8.074 -7.786 -6.934 1.00 0.00 O ATOM 1029 CB LEU A 71 7.915 -5.199 -4.664 1.00 0.00 C ATOM 1030 CG LEU A 71 9.021 -4.439 -3.930 1.00 0.00 C ATOM 1031 CD1 LEU A 71 9.067 -2.974 -4.369 1.00 0.00 C ATOM 1032 CD2 LEU A 71 8.868 -4.577 -2.413 1.00 0.00 C ATOM 0 H LEU A 71 7.479 -3.583 -6.478 1.00 0.00 H new ATOM 0 HA LEU A 71 9.254 -5.739 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.998 -4.612 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.730 -6.133 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 71 9.978 -4.886 -4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.862 -2.458 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.260 -2.921 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.112 -2.498 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.667 -4.027 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.903 -4.172 -2.106 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.925 -5.630 -2.136 1.00 0.00 H new ATOM 1044 N VAL A 72 6.133 -6.648 -6.710 1.00 0.00 N ATOM 1045 CA VAL A 72 5.305 -7.750 -7.168 1.00 0.00 C ATOM 1046 C VAL A 72 5.164 -8.779 -6.043 1.00 0.00 C ATOM 1047 O VAL A 72 4.407 -9.741 -6.169 1.00 0.00 O ATOM 1048 CB VAL A 72 5.889 -8.344 -8.451 1.00 0.00 C ATOM 1049 CG1 VAL A 72 6.698 -7.298 -9.221 1.00 0.00 C ATOM 1050 CG2 VAL A 72 6.739 -9.580 -8.147 1.00 0.00 C ATOM 0 H VAL A 72 5.619 -5.803 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 72 4.303 -7.398 -7.414 1.00 0.00 H new ATOM 0 HB VAL A 72 5.058 -8.657 -9.083 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.102 -7.746 -10.129 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.052 -6.461 -9.486 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.517 -6.940 -8.597 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.142 -9.982 -9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.560 -9.303 -7.485 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.121 -10.336 -7.662 1.00 0.00 H new ATOM 1060 N GLY A 73 5.903 -8.540 -4.970 1.00 0.00 N ATOM 1061 CA GLY A 73 5.871 -9.434 -3.825 1.00 0.00 C ATOM 1062 C GLY A 73 7.225 -9.471 -3.119 1.00 0.00 C ATOM 1063 O GLY A 73 7.813 -10.538 -2.948 1.00 0.00 O ATOM 0 H GLY A 73 6.528 -7.740 -4.869 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.101 -9.107 -3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.600 -10.438 -4.151 1.00 0.00 H new ATOM 1067 N LEU A 74 7.686 -8.290 -2.726 1.00 0.00 N ATOM 1068 CA LEU A 74 8.962 -8.176 -2.043 1.00 0.00 C ATOM 1069 C LEU A 74 8.735 -7.590 -0.646 1.00 0.00 C ATOM 1070 O LEU A 74 7.619 -7.203 -0.304 1.00 0.00 O ATOM 1071 CB LEU A 74 9.953 -7.379 -2.891 1.00 0.00 C ATOM 1072 CG LEU A 74 10.778 -8.185 -3.895 1.00 0.00 C ATOM 1073 CD1 LEU A 74 11.758 -7.286 -4.650 1.00 0.00 C ATOM 1074 CD2 LEU A 74 11.485 -9.355 -3.209 1.00 0.00 C ATOM 0 H LEU A 74 7.198 -7.406 -2.868 1.00 0.00 H new ATOM 0 HA LEU A 74 9.413 -9.159 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.400 -6.614 -3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.639 -6.860 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 74 10.097 -8.608 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.331 -7.886 -5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.205 -6.518 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.437 -6.813 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 74 12.065 -9.912 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 74 12.151 -8.974 -2.435 1.00 0.00 H new ATOM 0 HD23 LEU A 74 10.743 -10.014 -2.757 1.00 0.00 H new ATOM 1086 N SER A 75 9.814 -7.542 0.122 1.00 0.00 N ATOM 1087 CA SER A 75 9.747 -7.010 1.472 1.00 0.00 C ATOM 1088 C SER A 75 9.585 -5.490 1.428 1.00 0.00 C ATOM 1089 O SER A 75 9.884 -4.858 0.416 1.00 0.00 O ATOM 1090 CB SER A 75 10.995 -7.387 2.275 1.00 0.00 C ATOM 1091 OG SER A 75 10.818 -8.602 2.999 1.00 0.00 O ATOM 0 H SER A 75 10.739 -7.863 -0.165 1.00 0.00 H new ATOM 0 HA SER A 75 8.881 -7.447 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.844 -7.488 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 75 11.235 -6.583 2.970 1.00 0.00 H new ATOM 0 HG SER A 75 11.637 -8.809 3.497 1.00 0.00 H new ATOM 1097 N GLN A 76 9.110 -4.945 2.539 1.00 0.00 N ATOM 1098 CA GLN A 76 8.903 -3.510 2.639 1.00 0.00 C ATOM 1099 C GLN A 76 10.204 -2.813 3.044 1.00 0.00 C ATOM 1100 O GLN A 76 10.335 -1.599 2.895 1.00 0.00 O ATOM 1101 CB GLN A 76 7.779 -3.186 3.626 1.00 0.00 C ATOM 1102 CG GLN A 76 6.422 -3.151 2.918 1.00 0.00 C ATOM 1103 CD GLN A 76 6.203 -1.807 2.220 1.00 0.00 C ATOM 1104 OE1 GLN A 76 5.933 -1.733 1.032 1.00 0.00 O ATOM 1105 NE2 GLN A 76 6.333 -0.754 3.020 1.00 0.00 N ATOM 0 H GLN A 76 8.863 -5.471 3.377 1.00 0.00 H new ATOM 0 HA GLN A 76 8.602 -3.137 1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.760 -3.933 4.420 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.972 -2.223 4.099 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.368 -3.958 2.187 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.625 -3.323 3.642 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.560 -0.887 4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.205 0.187 2.649 1.00 0.00 H new ATOM 1114 N GLU A 77 11.134 -3.612 3.547 1.00 0.00 N ATOM 1115 CA GLU A 77 12.422 -3.087 3.974 1.00 0.00 C ATOM 1116 C GLU A 77 12.902 -2.007 3.002 1.00 0.00 C ATOM 1117 O GLU A 77 13.044 -0.846 3.380 1.00 0.00 O ATOM 1118 CB GLU A 77 13.453 -4.208 4.104 1.00 0.00 C ATOM 1119 CG GLU A 77 12.901 -5.371 4.931 1.00 0.00 C ATOM 1120 CD GLU A 77 13.876 -5.769 6.039 1.00 0.00 C ATOM 1121 OE1 GLU A 77 15.017 -6.142 5.684 1.00 0.00 O ATOM 1122 OE2 GLU A 77 13.461 -5.695 7.215 1.00 0.00 O ATOM 0 H GLU A 77 11.022 -4.619 3.669 1.00 0.00 H new ATOM 0 HA GLU A 77 12.302 -2.634 4.958 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.735 -4.564 3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.358 -3.821 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.944 -5.088 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.714 -6.227 4.282 1.00 0.00 H new ATOM 1129 N ARG A 78 13.141 -2.430 1.769 1.00 0.00 N ATOM 1130 CA ARG A 78 13.603 -1.514 0.740 1.00 0.00 C ATOM 1131 C ARG A 78 12.435 -0.686 0.204 1.00 0.00 C ATOM 1132 O ARG A 78 12.524 0.539 0.122 1.00 0.00 O ATOM 1133 CB ARG A 78 14.257 -2.271 -0.418 1.00 0.00 C ATOM 1134 CG ARG A 78 14.852 -3.597 0.060 1.00 0.00 C ATOM 1135 CD ARG A 78 13.948 -4.772 -0.320 1.00 0.00 C ATOM 1136 NE ARG A 78 14.748 -5.844 -0.953 1.00 0.00 N ATOM 1137 CZ ARG A 78 15.131 -5.836 -2.237 1.00 0.00 C ATOM 1138 NH1 ARG A 78 14.786 -4.815 -3.034 1.00 0.00 N ATOM 1139 NH2 ARG A 78 15.856 -6.850 -2.726 1.00 0.00 N ATOM 0 H ARG A 78 13.023 -3.395 1.460 1.00 0.00 H new ATOM 0 HA ARG A 78 14.344 -0.854 1.192 1.00 0.00 H new ATOM 0 HB2 ARG A 78 13.518 -2.460 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 78 15.040 -1.657 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 78 15.840 -3.736 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 78 14.985 -3.571 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.447 -5.157 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 78 13.170 -4.436 -1.005 1.00 0.00 H new ATOM 0 HE ARG A 78 15.025 -6.638 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.232 -4.043 -2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.078 -4.810 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 78 16.117 -7.629 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.147 -6.844 -3.703 1.00 0.00 H new ATOM 1153 N ALA A 79 11.366 -1.385 -0.149 1.00 0.00 N ATOM 1154 CA ALA A 79 10.182 -0.729 -0.676 1.00 0.00 C ATOM 1155 C ALA A 79 9.805 0.441 0.237 1.00 0.00 C ATOM 1156 O ALA A 79 10.020 1.600 -0.113 1.00 0.00 O ATOM 1157 CB ALA A 79 9.051 -1.750 -0.814 1.00 0.00 C ATOM 0 H ALA A 79 11.296 -2.400 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 79 10.377 -0.323 -1.669 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.163 -1.258 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.359 -2.544 -1.494 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.825 -2.177 0.163 1.00 0.00 H new ATOM 1163 N ALA A 80 9.248 0.096 1.388 1.00 0.00 N ATOM 1164 CA ALA A 80 8.837 1.103 2.352 1.00 0.00 C ATOM 1165 C ALA A 80 9.621 2.392 2.101 1.00 0.00 C ATOM 1166 O ALA A 80 9.049 3.398 1.685 1.00 0.00 O ATOM 1167 CB ALA A 80 9.041 0.563 3.770 1.00 0.00 C ATOM 0 H ALA A 80 9.071 -0.867 1.675 1.00 0.00 H new ATOM 0 HA ALA A 80 7.778 1.334 2.239 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.733 1.317 4.494 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.442 -0.337 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 80 10.094 0.324 3.920 1.00 0.00 H new ATOM 1173 N GLU A 81 10.917 2.320 2.364 1.00 0.00 N ATOM 1174 CA GLU A 81 11.786 3.469 2.170 1.00 0.00 C ATOM 1175 C GLU A 81 11.425 4.194 0.872 1.00 0.00 C ATOM 1176 O GLU A 81 10.884 5.299 0.904 1.00 0.00 O ATOM 1177 CB GLU A 81 13.258 3.053 2.176 1.00 0.00 C ATOM 1178 CG GLU A 81 14.174 4.276 2.126 1.00 0.00 C ATOM 1179 CD GLU A 81 15.581 3.927 2.618 1.00 0.00 C ATOM 1180 OE1 GLU A 81 15.778 3.966 3.853 1.00 0.00 O ATOM 1181 OE2 GLU A 81 16.429 3.632 1.748 1.00 0.00 O ATOM 0 H GLU A 81 11.387 1.484 2.710 1.00 0.00 H new ATOM 0 HA GLU A 81 11.636 4.157 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 81 13.471 2.471 3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 81 13.461 2.408 1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 81 14.225 4.655 1.105 1.00 0.00 H new ATOM 0 HG3 GLU A 81 13.757 5.073 2.741 1.00 0.00 H new ATOM 1188 N LEU A 82 11.739 3.543 -0.238 1.00 0.00 N ATOM 1189 CA LEU A 82 11.456 4.112 -1.545 1.00 0.00 C ATOM 1190 C LEU A 82 9.964 4.432 -1.644 1.00 0.00 C ATOM 1191 O LEU A 82 9.544 5.192 -2.516 1.00 0.00 O ATOM 1192 CB LEU A 82 11.961 3.186 -2.653 1.00 0.00 C ATOM 1193 CG LEU A 82 12.271 3.853 -3.995 1.00 0.00 C ATOM 1194 CD1 LEU A 82 11.065 4.645 -4.506 1.00 0.00 C ATOM 1195 CD2 LEU A 82 13.528 4.719 -3.900 1.00 0.00 C ATOM 0 H LEU A 82 12.187 2.627 -0.260 1.00 0.00 H new ATOM 0 HA LEU A 82 11.994 5.051 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 82 12.864 2.688 -2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.214 2.410 -2.819 1.00 0.00 H new ATOM 0 HG LEU A 82 12.475 3.071 -4.726 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.312 5.109 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.217 3.972 -4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.805 5.419 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.725 5.181 -4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 82 13.379 5.496 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.377 4.098 -3.615 1.00 0.00 H new ATOM 1207 N MET A 83 9.203 3.838 -0.738 1.00 0.00 N ATOM 1208 CA MET A 83 7.765 4.050 -0.711 1.00 0.00 C ATOM 1209 C MET A 83 7.383 5.096 0.339 1.00 0.00 C ATOM 1210 O MET A 83 6.215 5.457 0.465 1.00 0.00 O ATOM 1211 CB MET A 83 7.058 2.730 -0.398 1.00 0.00 C ATOM 1212 CG MET A 83 5.946 2.449 -1.410 1.00 0.00 C ATOM 1213 SD MET A 83 4.444 1.999 -0.558 1.00 0.00 S ATOM 1214 CE MET A 83 5.124 1.009 0.764 1.00 0.00 C ATOM 0 H MET A 83 9.555 3.209 -0.016 1.00 0.00 H new ATOM 0 HA MET A 83 7.454 4.415 -1.690 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.781 1.914 -0.411 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.638 2.768 0.607 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.773 3.331 -2.027 1.00 0.00 H new ATOM 0 HG3 MET A 83 6.248 1.645 -2.081 1.00 0.00 H new ATOM 0 HE1 MET A 83 4.580 0.067 0.830 1.00 0.00 H new ATOM 0 HE2 MET A 83 6.176 0.807 0.563 1.00 0.00 H new ATOM 0 HE3 MET A 83 5.031 1.548 1.707 1.00 0.00 H new ATOM 1224 N THR A 84 8.393 5.550 1.067 1.00 0.00 N ATOM 1225 CA THR A 84 8.178 6.546 2.104 1.00 0.00 C ATOM 1226 C THR A 84 8.248 7.955 1.512 1.00 0.00 C ATOM 1227 O THR A 84 7.297 8.728 1.621 1.00 0.00 O ATOM 1228 CB THR A 84 9.202 6.302 3.214 1.00 0.00 C ATOM 1229 OG1 THR A 84 8.949 4.963 3.632 1.00 0.00 O ATOM 1230 CG2 THR A 84 8.926 7.143 4.461 1.00 0.00 C ATOM 0 H THR A 84 9.361 5.247 0.960 1.00 0.00 H new ATOM 0 HA THR A 84 7.181 6.458 2.537 1.00 0.00 H new ATOM 0 HB THR A 84 10.202 6.526 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 84 8.645 4.433 2.866 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.682 6.931 5.217 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.959 8.201 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.940 6.897 4.855 1.00 0.00 H new ATOM 1238 N ARG A 85 9.385 8.249 0.896 1.00 0.00 N ATOM 1239 CA ARG A 85 9.593 9.552 0.288 1.00 0.00 C ATOM 1240 C ARG A 85 8.662 9.728 -0.913 1.00 0.00 C ATOM 1241 O ARG A 85 9.122 9.939 -2.035 1.00 0.00 O ATOM 1242 CB ARG A 85 11.043 9.722 -0.170 1.00 0.00 C ATOM 1243 CG ARG A 85 11.544 11.138 0.111 1.00 0.00 C ATOM 1244 CD ARG A 85 13.067 11.164 0.251 1.00 0.00 C ATOM 1245 NE ARG A 85 13.576 12.531 -0.005 1.00 0.00 N ATOM 1246 CZ ARG A 85 13.515 13.144 -1.195 1.00 0.00 C ATOM 1247 NH1 ARG A 85 12.967 12.518 -2.245 1.00 0.00 N ATOM 1248 NH2 ARG A 85 14.002 14.384 -1.334 1.00 0.00 N ATOM 0 H ARG A 85 10.172 7.606 0.805 1.00 0.00 H new ATOM 0 HA ARG A 85 9.372 10.309 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.677 8.999 0.344 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.118 9.511 -1.237 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.238 11.803 -0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.085 11.515 1.025 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.354 10.842 1.252 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.517 10.462 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 85 13.999 13.037 0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.596 11.574 -2.139 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.921 12.985 -3.150 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.419 14.861 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.956 14.851 -2.239 1.00 0.00 H new ATOM 1262 N THR A 86 7.368 9.639 -0.639 1.00 0.00 N ATOM 1263 CA THR A 86 6.368 9.787 -1.682 1.00 0.00 C ATOM 1264 C THR A 86 6.002 11.261 -1.864 1.00 0.00 C ATOM 1265 O THR A 86 6.124 11.804 -2.962 1.00 0.00 O ATOM 1266 CB THR A 86 5.174 8.904 -1.321 1.00 0.00 C ATOM 1267 OG1 THR A 86 5.542 7.610 -1.796 1.00 0.00 O ATOM 1268 CG2 THR A 86 3.921 9.255 -2.127 1.00 0.00 C ATOM 0 H THR A 86 6.989 9.466 0.292 1.00 0.00 H new ATOM 0 HA THR A 86 6.752 9.459 -2.648 1.00 0.00 H new ATOM 0 HB THR A 86 4.960 9.001 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.104 7.440 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.103 8.598 -1.832 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.643 10.291 -1.934 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.124 9.126 -3.190 1.00 0.00 H new ATOM 1276 N SER A 87 5.562 11.867 -0.771 1.00 0.00 N ATOM 1277 CA SER A 87 5.176 13.269 -0.795 1.00 0.00 C ATOM 1278 C SER A 87 4.734 13.664 -2.205 1.00 0.00 C ATOM 1279 O SER A 87 5.464 14.352 -2.918 1.00 0.00 O ATOM 1280 CB SER A 87 6.326 14.163 -0.329 1.00 0.00 C ATOM 1281 OG SER A 87 6.170 14.565 1.030 1.00 0.00 O ATOM 0 H SER A 87 5.464 11.413 0.137 1.00 0.00 H new ATOM 0 HA SER A 87 4.342 13.408 -0.107 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.270 13.630 -0.444 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.380 15.047 -0.965 1.00 0.00 H new ATOM 0 HG SER A 87 6.924 15.133 1.292 1.00 0.00 H new ATOM 1287 N SER A 88 3.541 13.213 -2.566 1.00 0.00 N ATOM 1288 CA SER A 88 2.994 13.513 -3.879 1.00 0.00 C ATOM 1289 C SER A 88 2.005 12.421 -4.294 1.00 0.00 C ATOM 1290 O SER A 88 0.811 12.681 -4.435 1.00 0.00 O ATOM 1291 CB SER A 88 4.104 13.646 -4.922 1.00 0.00 C ATOM 1292 OG SER A 88 4.570 14.988 -5.036 1.00 0.00 O ATOM 0 H SER A 88 2.938 12.643 -1.973 1.00 0.00 H new ATOM 0 HA SER A 88 2.471 14.468 -3.822 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.935 12.995 -4.652 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.735 13.307 -5.890 1.00 0.00 H new ATOM 0 HG SER A 88 4.877 15.303 -4.160 1.00 0.00 H new ATOM 1298 N VAL A 89 2.538 11.223 -4.478 1.00 0.00 N ATOM 1299 CA VAL A 89 1.717 10.091 -4.875 1.00 0.00 C ATOM 1300 C VAL A 89 2.426 8.792 -4.483 1.00 0.00 C ATOM 1301 O VAL A 89 3.633 8.656 -4.674 1.00 0.00 O ATOM 1302 CB VAL A 89 1.400 10.173 -6.369 1.00 0.00 C ATOM 1303 CG1 VAL A 89 2.601 9.734 -7.209 1.00 0.00 C ATOM 1304 CG2 VAL A 89 0.160 9.346 -6.712 1.00 0.00 C ATOM 0 H VAL A 89 3.529 11.011 -4.360 1.00 0.00 H new ATOM 0 HA VAL A 89 0.760 10.110 -4.353 1.00 0.00 H new ATOM 0 HB VAL A 89 1.186 11.214 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.349 9.802 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.451 10.383 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.860 8.704 -6.963 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.044 9.421 -7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.334 8.303 -6.449 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.696 9.724 -6.152 1.00 0.00 H new ATOM 1314 N VAL A 90 1.644 7.869 -3.943 1.00 0.00 N ATOM 1315 CA VAL A 90 2.180 6.584 -3.524 1.00 0.00 C ATOM 1316 C VAL A 90 1.518 5.470 -4.337 1.00 0.00 C ATOM 1317 O VAL A 90 0.398 5.057 -4.034 1.00 0.00 O ATOM 1318 CB VAL A 90 2.002 6.411 -2.016 1.00 0.00 C ATOM 1319 CG1 VAL A 90 3.356 6.271 -1.316 1.00 0.00 C ATOM 1320 CG2 VAL A 90 1.194 7.566 -1.422 1.00 0.00 C ATOM 0 H VAL A 90 0.643 7.985 -3.786 1.00 0.00 H new ATOM 0 HA VAL A 90 3.251 6.535 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 90 1.442 5.491 -1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.201 6.149 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.880 5.399 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.953 7.165 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.082 7.417 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.714 8.506 -1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.209 7.599 -1.888 1.00 0.00 H new ATOM 1330 N THR A 91 2.235 5.015 -5.354 1.00 0.00 N ATOM 1331 CA THR A 91 1.731 3.957 -6.212 1.00 0.00 C ATOM 1332 C THR A 91 2.209 2.592 -5.711 1.00 0.00 C ATOM 1333 O THR A 91 3.386 2.256 -5.844 1.00 0.00 O ATOM 1334 CB THR A 91 2.164 4.264 -7.647 1.00 0.00 C ATOM 1335 OG1 THR A 91 3.433 4.894 -7.499 1.00 0.00 O ATOM 1336 CG2 THR A 91 1.291 5.335 -8.304 1.00 0.00 C ATOM 0 H THR A 91 3.162 5.360 -5.603 1.00 0.00 H new ATOM 0 HA THR A 91 0.642 3.914 -6.189 1.00 0.00 H new ATOM 0 HB THR A 91 2.128 3.351 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 91 3.788 5.126 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.640 5.516 -9.321 1.00 0.00 H new ATOM 0 HG22 THR A 91 0.256 4.994 -8.331 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.354 6.259 -7.729 1.00 0.00 H new ATOM 1344 N LEU A 92 1.274 1.841 -5.149 1.00 0.00 N ATOM 1345 CA LEU A 92 1.585 0.521 -4.630 1.00 0.00 C ATOM 1346 C LEU A 92 0.527 -0.474 -5.109 1.00 0.00 C ATOM 1347 O LEU A 92 -0.615 -0.095 -5.362 1.00 0.00 O ATOM 1348 CB LEU A 92 1.743 0.567 -3.109 1.00 0.00 C ATOM 1349 CG LEU A 92 1.563 1.939 -2.457 1.00 0.00 C ATOM 1350 CD1 LEU A 92 1.358 1.806 -0.946 1.00 0.00 C ATOM 1351 CD2 LEU A 92 2.730 2.867 -2.798 1.00 0.00 C ATOM 0 H LEU A 92 0.299 2.122 -5.042 1.00 0.00 H new ATOM 0 HA LEU A 92 2.544 0.176 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.021 -0.120 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.735 0.194 -2.855 1.00 0.00 H new ATOM 0 HG LEU A 92 0.661 2.395 -2.865 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.233 2.796 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.468 1.207 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.227 1.320 -0.502 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.576 3.835 -2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.661 2.429 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.786 2.999 -3.879 1.00 0.00 H new ATOM 1363 N GLU A 93 0.944 -1.726 -5.217 1.00 0.00 N ATOM 1364 CA GLU A 93 0.044 -2.779 -5.662 1.00 0.00 C ATOM 1365 C GLU A 93 -0.491 -3.560 -4.461 1.00 0.00 C ATOM 1366 O GLU A 93 0.283 -4.035 -3.631 1.00 0.00 O ATOM 1367 CB GLU A 93 0.740 -3.709 -6.657 1.00 0.00 C ATOM 1368 CG GLU A 93 -0.190 -4.846 -7.087 1.00 0.00 C ATOM 1369 CD GLU A 93 0.216 -5.399 -8.455 1.00 0.00 C ATOM 1370 OE1 GLU A 93 0.517 -4.567 -9.336 1.00 0.00 O ATOM 1371 OE2 GLU A 93 0.217 -6.643 -8.586 1.00 0.00 O ATOM 0 H GLU A 93 1.892 -2.036 -5.005 1.00 0.00 H new ATOM 0 HA GLU A 93 -0.800 -2.318 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.055 -3.141 -7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.641 -4.123 -6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.162 -5.644 -6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.218 -4.485 -7.127 1.00 0.00 H new ATOM 1378 N VAL A 94 -1.810 -3.670 -4.407 1.00 0.00 N ATOM 1379 CA VAL A 94 -2.458 -4.387 -3.323 1.00 0.00 C ATOM 1380 C VAL A 94 -3.394 -5.449 -3.905 1.00 0.00 C ATOM 1381 O VAL A 94 -3.676 -5.443 -5.102 1.00 0.00 O ATOM 1382 CB VAL A 94 -3.175 -3.401 -2.398 1.00 0.00 C ATOM 1383 CG1 VAL A 94 -2.249 -2.251 -1.999 1.00 0.00 C ATOM 1384 CG2 VAL A 94 -4.455 -2.871 -3.050 1.00 0.00 C ATOM 0 H VAL A 94 -2.448 -3.274 -5.097 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.718 -4.906 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.456 -3.936 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.783 -1.565 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.378 -2.649 -1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -1.924 -1.718 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.946 -2.172 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.205 -2.360 -3.980 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.126 -3.703 -3.262 1.00 0.00 H new ATOM 1394 N ALA A 95 -3.848 -6.334 -3.031 1.00 0.00 N ATOM 1395 CA ALA A 95 -4.745 -7.400 -3.443 1.00 0.00 C ATOM 1396 C ALA A 95 -5.836 -7.581 -2.386 1.00 0.00 C ATOM 1397 O ALA A 95 -5.539 -7.759 -1.206 1.00 0.00 O ATOM 1398 CB ALA A 95 -3.943 -8.681 -3.678 1.00 0.00 C ATOM 0 H ALA A 95 -3.612 -6.335 -2.039 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.236 -7.146 -4.383 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.616 -9.480 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.202 -8.508 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.438 -8.968 -2.756 1.00 0.00 H new ATOM 1404 N LYS A 96 -7.078 -7.528 -2.847 1.00 0.00 N ATOM 1405 CA LYS A 96 -8.214 -7.684 -1.955 1.00 0.00 C ATOM 1406 C LYS A 96 -7.983 -8.893 -1.048 1.00 0.00 C ATOM 1407 O LYS A 96 -7.310 -9.846 -1.439 1.00 0.00 O ATOM 1408 CB LYS A 96 -9.517 -7.754 -2.755 1.00 0.00 C ATOM 1409 CG LYS A 96 -10.298 -6.442 -2.646 1.00 0.00 C ATOM 1410 CD LYS A 96 -11.518 -6.605 -1.736 1.00 0.00 C ATOM 1411 CE LYS A 96 -11.746 -5.348 -0.894 1.00 0.00 C ATOM 1412 NZ LYS A 96 -12.566 -5.663 0.297 1.00 0.00 N ATOM 0 H LYS A 96 -7.322 -7.379 -3.826 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.312 -6.814 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.295 -7.963 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -10.129 -8.578 -2.388 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.649 -5.659 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -10.619 -6.122 -3.637 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -12.402 -6.808 -2.340 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.375 -7.465 -1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -10.787 -4.933 -0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -12.244 -4.586 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -12.711 -4.799 0.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -13.488 -6.038 -0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -12.076 -6.374 0.877 1.00 0.00 H new ATOM 1426 N GLN A 97 -8.555 -8.817 0.145 1.00 0.00 N ATOM 1427 CA GLN A 97 -8.422 -9.893 1.110 1.00 0.00 C ATOM 1428 C GLN A 97 -8.885 -9.430 2.493 1.00 0.00 C ATOM 1429 O GLN A 97 -8.821 -8.242 2.805 1.00 0.00 O ATOM 1430 CB GLN A 97 -6.983 -10.410 1.159 1.00 0.00 C ATOM 1431 CG GLN A 97 -6.895 -11.842 0.628 1.00 0.00 C ATOM 1432 CD GLN A 97 -5.554 -12.483 0.994 1.00 0.00 C ATOM 1433 OE1 GLN A 97 -4.726 -12.778 0.148 1.00 0.00 O ATOM 1434 NE2 GLN A 97 -5.387 -12.679 2.299 1.00 0.00 N ATOM 0 H GLN A 97 -9.112 -8.025 0.465 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.060 -10.718 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.339 -9.759 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.615 -10.376 2.185 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.710 -12.437 1.040 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.017 -11.840 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.121 -12.409 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.525 -13.100 2.645 1.00 0.00 H new ATOM 1443 N GLY A 98 -9.342 -10.390 3.282 1.00 0.00 N ATOM 1444 CA GLY A 98 -9.814 -10.095 4.624 1.00 0.00 C ATOM 1445 C GLY A 98 -10.819 -8.940 4.608 1.00 0.00 C ATOM 1446 O GLY A 98 -11.633 -8.831 3.691 1.00 0.00 O ATOM 0 H GLY A 98 -9.396 -11.374 3.018 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.280 -10.982 5.053 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.969 -9.838 5.263 1.00 0.00 H new ATOM 1450 N ALA A 99 -10.730 -8.106 5.633 1.00 0.00 N ATOM 1451 CA ALA A 99 -11.620 -6.964 5.750 1.00 0.00 C ATOM 1452 C ALA A 99 -11.163 -6.083 6.915 1.00 0.00 C ATOM 1453 O ALA A 99 -10.144 -6.359 7.544 1.00 0.00 O ATOM 1454 CB ALA A 99 -13.059 -7.453 5.919 1.00 0.00 C ATOM 0 H ALA A 99 -10.054 -8.199 6.391 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.586 -6.357 4.845 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.727 -6.596 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -13.345 -8.049 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -13.132 -8.064 6.819 1.00 0.00 H new ATOM 1460 N ILE A 100 -11.941 -5.041 7.167 1.00 0.00 N ATOM 1461 CA ILE A 100 -11.629 -4.117 8.245 1.00 0.00 C ATOM 1462 C ILE A 100 -11.323 -4.910 9.516 1.00 0.00 C ATOM 1463 O ILE A 100 -10.165 -5.021 9.920 1.00 0.00 O ATOM 1464 CB ILE A 100 -12.753 -3.094 8.415 1.00 0.00 C ATOM 1465 CG1 ILE A 100 -12.902 -2.228 7.161 1.00 0.00 C ATOM 1466 CG2 ILE A 100 -12.539 -2.248 9.672 1.00 0.00 C ATOM 1467 CD1 ILE A 100 -14.280 -1.566 7.112 1.00 0.00 C ATOM 0 H ILE A 100 -12.787 -4.816 6.644 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.736 -3.539 8.006 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.690 -3.636 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -12.126 -1.462 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.758 -2.842 6.272 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.352 -1.529 9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.521 -2.896 10.548 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.591 -1.716 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -14.359 -0.957 6.212 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -15.053 -2.335 7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.411 -0.934 7.990 1.00 0.00 H new ATOM 1479 N TYR A 101 -12.380 -5.442 10.114 1.00 0.00 N ATOM 1480 CA TYR A 101 -12.237 -6.222 11.331 1.00 0.00 C ATOM 1481 C TYR A 101 -13.505 -7.032 11.615 1.00 0.00 C ATOM 1482 O TYR A 101 -13.655 -8.149 11.123 1.00 0.00 O ATOM 1483 CB TYR A 101 -12.031 -5.210 12.459 1.00 0.00 C ATOM 1484 CG TYR A 101 -11.177 -5.732 13.616 1.00 0.00 C ATOM 1485 CD1 TYR A 101 -9.876 -6.127 13.390 1.00 0.00 C ATOM 1486 CD2 TYR A 101 -11.712 -5.808 14.887 1.00 0.00 C ATOM 1487 CE1 TYR A 101 -9.073 -6.621 14.480 1.00 0.00 C ATOM 1488 CE2 TYR A 101 -10.908 -6.299 15.978 1.00 0.00 C ATOM 1489 CZ TYR A 101 -9.628 -6.682 15.719 1.00 0.00 C ATOM 1490 OH TYR A 101 -8.871 -7.147 16.748 1.00 0.00 O ATOM 0 H TYR A 101 -13.338 -5.348 9.778 1.00 0.00 H new ATOM 0 HA TYR A 101 -11.408 -6.924 11.242 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -11.562 -4.316 12.049 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -13.005 -4.910 12.846 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -9.458 -6.066 12.396 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -12.732 -5.500 15.063 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.053 -6.936 14.316 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -11.312 -6.361 16.978 1.00 0.00 H new ATOM 0 HH TYR A 101 -9.398 -7.133 17.574 1.00 0.00 H new TER 1500 TYR A 101