USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 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 43 ASN : amide:sc= 1.15 K(o=1.5,f=-6.5!) USER MOD Set 1.2: A 75 SER OG : rot 76:sc= 0.396 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= -0.167 (180deg=-0.432) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -133:sc= 0.22 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -52:sc= 0.0734 USER MOD Single : A 19 SER OG : rot 57:sc= -0.191 USER MOD Single : A 22 LYS NZ :NH3+ -145:sc= -0.634 (180deg=-1.29) USER MOD Single : A 24 THR OG1 : rot 148:sc= 0.516 USER MOD Single : A 30 GLN : amide:sc= -0.72 K(o=-0.72,f=-0.072) USER MOD Single : A 32 HIS : no HE2:sc= -0.161 K(o=-0.16,f=-2.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.286 USER MOD Single : A 41 GLN : amide:sc= -2.42 K(o=-2.4,f=-0.72) USER MOD Single : A 46 SER OG : rot 180:sc= -0.205 USER MOD Single : A 49 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.6) USER MOD Single : A 50 GLN : amide:sc= -1.58 K(o=-1.6,f=-5.8!) USER MOD Single : A 51 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-2.3) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= -0.0239 (180deg=-0.0305) USER MOD Single : A 56 ASN : amide:sc= -2.44 X(o=-2.4,f=-2.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.19 K(o=-2.2,f=-3.3!) USER MOD Single : A 64 LYS NZ :NH3+ -124:sc= -0.745 (180deg=-3.24!) USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0132) USER MOD Single : A 67 HIS : no HD1:sc= -0.035 X(o=-0.035,f=-0.23) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 20:sc= 0.58! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.901 -4.471 -5.098 1.00 0.00 N ATOM 2 CA MET A 1 4.610 -4.536 -3.825 1.00 0.00 C ATOM 3 C MET A 1 4.013 -3.556 -2.820 1.00 0.00 C ATOM 4 O MET A 1 4.738 -2.905 -2.069 1.00 0.00 O ATOM 5 CB MET A 1 6.096 -4.234 -4.029 1.00 0.00 C ATOM 6 CG MET A 1 6.837 -5.319 -4.793 1.00 0.00 C ATOM 7 SD MET A 1 7.258 -6.733 -3.757 1.00 0.00 S ATOM 8 CE MET A 1 9.012 -6.883 -4.085 1.00 0.00 C ATOM 0 H1 MET A 1 3.408 -5.371 -5.267 1.00 0.00 H new ATOM 0 H2 MET A 1 3.208 -3.696 -5.070 1.00 0.00 H new ATOM 0 H3 MET A 1 4.581 -4.300 -5.866 1.00 0.00 H new ATOM 0 HA MET A 1 4.503 -5.546 -3.429 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.196 -3.290 -4.565 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.568 -4.099 -3.056 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.222 -5.655 -5.628 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.749 -4.900 -5.218 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.419 -7.718 -3.514 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.169 -7.060 -5.149 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.517 -5.963 -3.792 1.00 0.00 H new ATOM 18 N ALA A 2 2.688 -3.456 -2.813 1.00 0.00 N ATOM 19 CA ALA A 2 1.994 -2.557 -1.900 1.00 0.00 C ATOM 20 C ALA A 2 1.659 -3.258 -0.588 1.00 0.00 C ATOM 21 O ALA A 2 2.073 -2.819 0.485 1.00 0.00 O ATOM 22 CB ALA A 2 0.729 -2.016 -2.550 1.00 0.00 C ATOM 0 H ALA A 2 2.073 -3.987 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 2 2.659 -1.723 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 2 0.221 -1.346 -1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.991 -1.470 -3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.068 -2.844 -2.804 1.00 0.00 H new ATOM 28 N ILE A 3 0.907 -4.350 -0.681 1.00 0.00 N ATOM 29 CA ILE A 3 0.517 -5.112 0.499 1.00 0.00 C ATOM 30 C ILE A 3 0.157 -6.548 0.132 1.00 0.00 C ATOM 31 O ILE A 3 -0.278 -6.823 -0.986 1.00 0.00 O ATOM 32 CB ILE A 3 -0.679 -4.462 1.218 1.00 0.00 C ATOM 33 CG1 ILE A 3 -0.899 -5.118 2.583 1.00 0.00 C ATOM 34 CG2 ILE A 3 -1.934 -4.571 0.364 1.00 0.00 C ATOM 35 CD1 ILE A 3 -1.489 -4.183 3.615 1.00 0.00 C ATOM 0 H ILE A 3 0.556 -4.727 -1.561 1.00 0.00 H new ATOM 0 HA ILE A 3 1.376 -5.116 1.171 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.460 -3.406 1.374 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.560 -5.976 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.053 -5.499 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.771 -4.107 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.772 -4.063 -0.587 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.159 -5.622 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.617 -4.716 4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.819 -3.337 3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.457 -3.822 3.268 1.00 0.00 H new ATOM 47 N SER A 4 0.340 -7.459 1.082 1.00 0.00 N ATOM 48 CA SER A 4 0.037 -8.868 0.858 1.00 0.00 C ATOM 49 C SER A 4 -1.388 -9.041 0.341 1.00 0.00 C ATOM 50 O SER A 4 -2.318 -8.398 0.826 1.00 0.00 O ATOM 51 CB SER A 4 0.222 -9.663 2.152 1.00 0.00 C ATOM 52 OG SER A 4 1.594 -9.779 2.488 1.00 0.00 O ATOM 0 H SER A 4 0.696 -7.247 2.014 1.00 0.00 H new ATOM 0 HA SER A 4 0.727 -9.248 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.314 -9.172 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.213 -10.656 2.038 1.00 0.00 H new ATOM 0 HG SER A 4 1.685 -10.290 3.319 1.00 0.00 H new ATOM 58 N ALA A 5 -1.550 -9.915 -0.647 1.00 0.00 N ATOM 59 CA ALA A 5 -2.860 -10.175 -1.230 1.00 0.00 C ATOM 60 C ALA A 5 -3.850 -10.644 -0.168 1.00 0.00 C ATOM 61 O ALA A 5 -5.057 -10.453 -0.305 1.00 0.00 O ATOM 62 CB ALA A 5 -2.748 -11.208 -2.342 1.00 0.00 C ATOM 0 H ALA A 5 -0.790 -10.455 -1.060 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.234 -9.242 -1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.734 -11.392 -2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.081 -10.835 -3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.349 -12.138 -1.936 1.00 0.00 H new ATOM 68 N GLU A 6 -3.329 -11.260 0.889 1.00 0.00 N ATOM 69 CA GLU A 6 -4.168 -11.757 1.972 1.00 0.00 C ATOM 70 C GLU A 6 -4.841 -10.605 2.713 1.00 0.00 C ATOM 71 O GLU A 6 -5.844 -10.796 3.399 1.00 0.00 O ATOM 72 CB GLU A 6 -3.337 -12.590 2.950 1.00 0.00 C ATOM 73 CG GLU A 6 -2.355 -11.768 3.768 1.00 0.00 C ATOM 74 CD GLU A 6 -1.291 -12.620 4.431 1.00 0.00 C ATOM 75 OE1 GLU A 6 -1.658 -13.559 5.170 1.00 0.00 O ATOM 76 OE2 GLU A 6 -0.092 -12.350 4.213 1.00 0.00 O ATOM 0 H GLU A 6 -2.331 -11.426 1.018 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.943 -12.387 1.536 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.009 -13.117 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.787 -13.348 2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.876 -11.033 3.122 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.899 -11.214 4.532 1.00 0.00 H new ATOM 83 N GLU A 7 -4.279 -9.409 2.569 1.00 0.00 N ATOM 84 CA GLU A 7 -4.823 -8.226 3.225 1.00 0.00 C ATOM 85 C GLU A 7 -5.847 -7.530 2.332 1.00 0.00 C ATOM 86 O GLU A 7 -6.674 -6.751 2.807 1.00 0.00 O ATOM 87 CB GLU A 7 -3.699 -7.252 3.585 1.00 0.00 C ATOM 88 CG GLU A 7 -4.088 -6.239 4.648 1.00 0.00 C ATOM 89 CD GLU A 7 -4.592 -6.893 5.920 1.00 0.00 C ATOM 90 OE1 GLU A 7 -4.285 -8.084 6.136 1.00 0.00 O ATOM 91 OE2 GLU A 7 -5.294 -6.214 6.699 1.00 0.00 O ATOM 0 H GLU A 7 -3.448 -9.234 2.004 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.322 -8.547 4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -2.836 -7.819 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -3.388 -6.721 2.685 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.226 -5.614 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.861 -5.580 4.252 1.00 0.00 H new ATOM 98 N LEU A 8 -5.784 -7.817 1.036 1.00 0.00 N ATOM 99 CA LEU A 8 -6.704 -7.219 0.075 1.00 0.00 C ATOM 100 C LEU A 8 -8.151 -7.397 0.524 1.00 0.00 C ATOM 101 O LEU A 8 -9.009 -6.567 0.225 1.00 0.00 O ATOM 102 CB LEU A 8 -6.506 -7.845 -1.307 1.00 0.00 C ATOM 103 CG LEU A 8 -7.537 -7.464 -2.370 1.00 0.00 C ATOM 104 CD1 LEU A 8 -7.595 -5.954 -2.540 1.00 0.00 C ATOM 105 CD2 LEU A 8 -7.213 -8.140 -3.694 1.00 0.00 C ATOM 0 H LEU A 8 -5.106 -8.460 0.627 1.00 0.00 H new ATOM 0 HA LEU A 8 -6.489 -6.152 0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.517 -7.566 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.511 -8.929 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 8 -8.516 -7.810 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.334 -5.702 -3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.876 -5.492 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.617 -5.585 -2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.957 -7.857 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.225 -7.826 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -7.224 -9.222 -3.562 1.00 0.00 H new ATOM 117 N GLU A 9 -8.413 -8.483 1.244 1.00 0.00 N ATOM 118 CA GLU A 9 -9.756 -8.768 1.735 1.00 0.00 C ATOM 119 C GLU A 9 -10.131 -7.822 2.873 1.00 0.00 C ATOM 120 O GLU A 9 -11.248 -7.306 2.924 1.00 0.00 O ATOM 121 CB GLU A 9 -9.853 -10.219 2.210 1.00 0.00 C ATOM 122 CG GLU A 9 -8.865 -10.566 3.311 1.00 0.00 C ATOM 123 CD GLU A 9 -8.488 -12.035 3.315 1.00 0.00 C ATOM 124 OE1 GLU A 9 -8.989 -12.778 2.446 1.00 0.00 O ATOM 125 OE2 GLU A 9 -7.692 -12.441 4.188 1.00 0.00 O ATOM 0 H GLU A 9 -7.713 -9.180 1.500 1.00 0.00 H new ATOM 0 HA GLU A 9 -10.455 -8.616 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -10.865 -10.408 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -9.686 -10.882 1.361 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -7.965 -9.964 3.189 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.296 -10.303 4.277 1.00 0.00 H new ATOM 132 N LYS A 10 -9.191 -7.601 3.784 1.00 0.00 N ATOM 133 CA LYS A 10 -9.420 -6.718 4.922 1.00 0.00 C ATOM 134 C LYS A 10 -9.919 -5.353 4.459 1.00 0.00 C ATOM 135 O LYS A 10 -10.644 -4.669 5.182 1.00 0.00 O ATOM 136 CB LYS A 10 -8.133 -6.553 5.733 1.00 0.00 C ATOM 137 CG LYS A 10 -7.984 -7.572 6.850 1.00 0.00 C ATOM 138 CD LYS A 10 -7.680 -8.957 6.305 1.00 0.00 C ATOM 139 CE LYS A 10 -6.857 -9.775 7.288 1.00 0.00 C ATOM 140 NZ LYS A 10 -6.486 -11.105 6.729 1.00 0.00 N ATOM 0 H LYS A 10 -8.262 -8.021 3.757 1.00 0.00 H new ATOM 0 HA LYS A 10 -10.185 -7.171 5.553 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.278 -6.634 5.062 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.109 -5.551 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.185 -7.261 7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.901 -7.605 7.438 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.613 -9.477 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.140 -8.868 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.952 -9.226 7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.423 -9.913 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.678 -11.844 7.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.046 -11.290 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.474 -11.111 6.489 1.00 0.00 H new ATOM 154 N ILE A 11 -9.529 -4.964 3.250 1.00 0.00 N ATOM 155 CA ILE A 11 -9.940 -3.682 2.690 1.00 0.00 C ATOM 156 C ILE A 11 -11.408 -3.706 2.280 1.00 0.00 C ATOM 157 O ILE A 11 -12.209 -2.897 2.751 1.00 0.00 O ATOM 158 CB ILE A 11 -9.083 -3.301 1.468 1.00 0.00 C ATOM 159 CG1 ILE A 11 -7.606 -3.219 1.859 1.00 0.00 C ATOM 160 CG2 ILE A 11 -9.556 -1.979 0.882 1.00 0.00 C ATOM 161 CD1 ILE A 11 -6.667 -3.685 0.769 1.00 0.00 C ATOM 0 H ILE A 11 -8.929 -5.518 2.639 1.00 0.00 H new ATOM 0 HA ILE A 11 -9.796 -2.936 3.471 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.195 -4.074 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.364 -2.189 2.120 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.441 -3.821 2.752 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.941 -1.723 0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.597 -2.070 0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -9.469 -1.196 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.637 -3.599 1.115 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.882 -4.725 0.523 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.804 -3.067 -0.118 1.00 0.00 H new ATOM 173 N LEU A 12 -11.756 -4.640 1.402 1.00 0.00 N ATOM 174 CA LEU A 12 -13.130 -4.772 0.929 1.00 0.00 C ATOM 175 C LEU A 12 -14.060 -5.181 2.067 1.00 0.00 C ATOM 176 O LEU A 12 -15.276 -5.003 1.984 1.00 0.00 O ATOM 177 CB LEU A 12 -13.204 -5.801 -0.201 1.00 0.00 C ATOM 178 CG LEU A 12 -12.831 -5.295 -1.594 1.00 0.00 C ATOM 179 CD1 LEU A 12 -12.878 -6.431 -2.605 1.00 0.00 C ATOM 180 CD2 LEU A 12 -13.757 -4.164 -2.017 1.00 0.00 C ATOM 0 H LEU A 12 -11.106 -5.317 1.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.454 -3.802 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.547 -6.634 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -14.219 -6.196 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.812 -4.909 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.610 -6.052 -3.591 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.173 -7.209 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.885 -6.847 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.476 -3.816 -3.011 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.786 -4.524 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -13.673 -3.341 -1.308 1.00 0.00 H new ATOM 192 N LYS A 13 -13.481 -5.728 3.130 1.00 0.00 N ATOM 193 CA LYS A 13 -14.257 -6.160 4.287 1.00 0.00 C ATOM 194 C LYS A 13 -14.805 -4.960 5.052 1.00 0.00 C ATOM 195 O LYS A 13 -15.768 -5.080 5.810 1.00 0.00 O ATOM 196 CB LYS A 13 -13.394 -7.019 5.214 1.00 0.00 C ATOM 197 CG LYS A 13 -13.335 -8.481 4.808 1.00 0.00 C ATOM 198 CD LYS A 13 -13.537 -9.399 6.002 1.00 0.00 C ATOM 199 CE LYS A 13 -14.978 -9.374 6.488 1.00 0.00 C ATOM 200 NZ LYS A 13 -15.236 -10.423 7.513 1.00 0.00 N ATOM 0 H LYS A 13 -12.476 -5.883 3.215 1.00 0.00 H new ATOM 0 HA LYS A 13 -15.097 -6.755 3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.382 -6.615 5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.784 -6.948 6.229 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -14.101 -8.683 4.059 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.372 -8.692 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.262 -10.418 5.729 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.874 -9.095 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.203 -8.393 6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.649 -9.520 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.229 -10.373 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.046 -11.361 7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -14.614 -10.269 8.332 1.00 0.00 H new ATOM 214 N LYS A 14 -14.187 -3.801 4.849 1.00 0.00 N ATOM 215 CA LYS A 14 -14.614 -2.578 5.517 1.00 0.00 C ATOM 216 C LYS A 14 -16.103 -2.328 5.297 1.00 0.00 C ATOM 217 O LYS A 14 -16.865 -2.180 6.252 1.00 0.00 O ATOM 218 CB LYS A 14 -13.805 -1.384 5.006 1.00 0.00 C ATOM 219 CG LYS A 14 -12.396 -1.318 5.569 1.00 0.00 C ATOM 220 CD LYS A 14 -12.405 -1.165 7.080 1.00 0.00 C ATOM 221 CE LYS A 14 -11.121 -0.525 7.584 1.00 0.00 C ATOM 222 NZ LYS A 14 -11.343 0.261 8.829 1.00 0.00 N ATOM 0 H LYS A 14 -13.388 -3.684 4.226 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.438 -2.698 6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.751 -1.431 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.332 -0.464 5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.852 -2.223 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.863 -0.479 5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.258 -0.556 7.380 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.532 -2.143 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.379 -1.301 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.713 0.127 6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.444 0.681 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.032 1.017 8.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.708 -0.365 9.574 1.00 0.00 H new ATOM 236 N SER A 15 -16.510 -2.285 4.032 1.00 0.00 N ATOM 237 CA SER A 15 -17.907 -2.051 3.687 1.00 0.00 C ATOM 238 C SER A 15 -18.587 -3.350 3.266 1.00 0.00 C ATOM 239 O SER A 15 -19.808 -3.482 3.354 1.00 0.00 O ATOM 240 CB SER A 15 -18.011 -1.020 2.561 1.00 0.00 C ATOM 241 OG SER A 15 -18.132 0.292 3.082 1.00 0.00 O ATOM 0 H SER A 15 -15.892 -2.409 3.230 1.00 0.00 H new ATOM 0 HA SER A 15 -18.414 -1.665 4.571 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.129 -1.082 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.873 -1.247 1.934 1.00 0.00 H new ATOM 0 HG SER A 15 -18.195 0.933 2.343 1.00 0.00 H new ATOM 247 N PHE A 16 -17.788 -4.308 2.808 1.00 0.00 N ATOM 248 CA PHE A 16 -18.311 -5.597 2.372 1.00 0.00 C ATOM 249 C PHE A 16 -17.810 -6.721 3.275 1.00 0.00 C ATOM 250 O PHE A 16 -16.979 -7.542 2.884 1.00 0.00 O ATOM 251 CB PHE A 16 -17.904 -5.873 0.923 1.00 0.00 C ATOM 252 CG PHE A 16 -17.978 -4.660 0.039 1.00 0.00 C ATOM 253 CD1 PHE A 16 -19.073 -3.813 0.093 1.00 0.00 C ATOM 254 CD2 PHE A 16 -16.953 -4.369 -0.846 1.00 0.00 C ATOM 255 CE1 PHE A 16 -19.144 -2.696 -0.719 1.00 0.00 C ATOM 256 CE2 PHE A 16 -17.018 -3.254 -1.660 1.00 0.00 C ATOM 257 CZ PHE A 16 -18.115 -2.417 -1.597 1.00 0.00 C ATOM 0 H PHE A 16 -16.775 -4.216 2.729 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.398 -5.560 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -16.886 -6.263 0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -18.549 -6.651 0.514 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.881 -4.028 0.777 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -16.093 -5.021 -0.901 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.003 -2.043 -0.667 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -16.212 -3.037 -2.345 1.00 0.00 H new ATOM 0 HZ PHE A 16 -18.168 -1.546 -2.233 1.00 0.00 H new ATOM 267 N PRO A 17 -18.326 -6.759 4.512 1.00 0.00 N ATOM 268 CA PRO A 17 -17.946 -7.777 5.497 1.00 0.00 C ATOM 269 C PRO A 17 -18.468 -9.162 5.130 1.00 0.00 C ATOM 270 O PRO A 17 -17.883 -10.176 5.509 1.00 0.00 O ATOM 271 CB PRO A 17 -18.602 -7.283 6.789 1.00 0.00 C ATOM 272 CG PRO A 17 -19.753 -6.453 6.335 1.00 0.00 C ATOM 273 CD PRO A 17 -19.320 -5.813 5.045 1.00 0.00 C ATOM 0 HA PRO A 17 -16.864 -7.891 5.569 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -18.934 -8.116 7.408 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -17.904 -6.699 7.389 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -20.642 -7.066 6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -20.007 -5.698 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -20.158 -5.682 4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -18.887 -4.827 5.211 1.00 0.00 H new ATOM 281 N SER A 18 -19.572 -9.196 4.391 1.00 0.00 N ATOM 282 CA SER A 18 -20.175 -10.458 3.976 1.00 0.00 C ATOM 283 C SER A 18 -19.793 -10.795 2.538 1.00 0.00 C ATOM 284 O SER A 18 -20.472 -11.576 1.871 1.00 0.00 O ATOM 285 CB SER A 18 -21.698 -10.387 4.108 1.00 0.00 C ATOM 286 OG SER A 18 -22.262 -11.684 4.198 1.00 0.00 O ATOM 0 H SER A 18 -20.067 -8.365 4.067 1.00 0.00 H new ATOM 0 HA SER A 18 -19.797 -11.245 4.628 1.00 0.00 H new ATOM 0 HB2 SER A 18 -21.963 -9.809 4.993 1.00 0.00 H new ATOM 0 HB3 SER A 18 -22.117 -9.863 3.249 1.00 0.00 H new ATOM 0 HG SER A 18 -21.937 -12.234 3.455 1.00 0.00 H new ATOM 292 N SER A 19 -18.702 -10.200 2.067 1.00 0.00 N ATOM 293 CA SER A 19 -18.231 -10.434 0.707 1.00 0.00 C ATOM 294 C SER A 19 -17.078 -11.433 0.696 1.00 0.00 C ATOM 295 O SER A 19 -16.318 -11.533 1.660 1.00 0.00 O ATOM 296 CB SER A 19 -17.786 -9.118 0.066 1.00 0.00 C ATOM 297 OG SER A 19 -18.831 -8.546 -0.702 1.00 0.00 O ATOM 0 H SER A 19 -18.128 -9.553 2.607 1.00 0.00 H new ATOM 0 HA SER A 19 -19.056 -10.851 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.476 -8.418 0.842 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.918 -9.294 -0.569 1.00 0.00 H new ATOM 0 HG SER A 19 -19.620 -8.417 -0.136 1.00 0.00 H new ATOM 303 N VAL A 20 -16.954 -12.172 -0.402 1.00 0.00 N ATOM 304 CA VAL A 20 -15.894 -13.163 -0.541 1.00 0.00 C ATOM 305 C VAL A 20 -14.747 -12.626 -1.390 1.00 0.00 C ATOM 306 O VAL A 20 -14.798 -12.671 -2.620 1.00 0.00 O ATOM 307 CB VAL A 20 -16.422 -14.464 -1.175 1.00 0.00 C ATOM 308 CG1 VAL A 20 -15.297 -15.475 -1.334 1.00 0.00 C ATOM 309 CG2 VAL A 20 -17.554 -15.042 -0.339 1.00 0.00 C ATOM 0 H VAL A 20 -17.575 -12.103 -1.208 1.00 0.00 H new ATOM 0 HA VAL A 20 -15.529 -13.379 0.463 1.00 0.00 H new ATOM 0 HB VAL A 20 -16.813 -14.232 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -15.689 -16.388 -1.783 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.521 -15.058 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.874 -15.705 -0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -17.915 -15.961 -0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -17.190 -15.260 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -18.369 -14.320 -0.281 1.00 0.00 H new ATOM 319 N ILE A 21 -13.714 -12.119 -0.726 1.00 0.00 N ATOM 320 CA ILE A 21 -12.554 -11.575 -1.420 1.00 0.00 C ATOM 321 C ILE A 21 -11.596 -12.684 -1.844 1.00 0.00 C ATOM 322 O ILE A 21 -11.088 -13.433 -1.010 1.00 0.00 O ATOM 323 CB ILE A 21 -11.794 -10.565 -0.540 1.00 0.00 C ATOM 324 CG1 ILE A 21 -12.767 -9.555 0.072 1.00 0.00 C ATOM 325 CG2 ILE A 21 -10.725 -9.852 -1.354 1.00 0.00 C ATOM 326 CD1 ILE A 21 -13.228 -9.928 1.464 1.00 0.00 C ATOM 0 H ILE A 21 -13.657 -12.074 0.291 1.00 0.00 H new ATOM 0 HA ILE A 21 -12.929 -11.063 -2.306 1.00 0.00 H new ATOM 0 HB ILE A 21 -11.305 -11.107 0.270 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -12.288 -8.576 0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -13.637 -9.461 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.197 -9.142 -0.718 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.018 -10.583 -1.746 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.193 -9.319 -2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -13.915 -9.168 1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.736 -10.892 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -12.366 -9.993 2.128 1.00 0.00 H new ATOM 338 N LYS A 22 -11.353 -12.782 -3.146 1.00 0.00 N ATOM 339 CA LYS A 22 -10.454 -13.797 -3.683 1.00 0.00 C ATOM 340 C LYS A 22 -9.583 -13.219 -4.794 1.00 0.00 C ATOM 341 O LYS A 22 -10.060 -12.459 -5.638 1.00 0.00 O ATOM 342 CB LYS A 22 -11.255 -14.987 -4.214 1.00 0.00 C ATOM 343 CG LYS A 22 -10.393 -16.071 -4.838 1.00 0.00 C ATOM 344 CD LYS A 22 -9.413 -16.651 -3.832 1.00 0.00 C ATOM 345 CE LYS A 22 -10.135 -17.346 -2.688 1.00 0.00 C ATOM 346 NZ LYS A 22 -10.365 -16.428 -1.538 1.00 0.00 N ATOM 0 H LYS A 22 -11.766 -12.170 -3.850 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.804 -14.136 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.832 -15.419 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.970 -14.631 -4.956 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.030 -16.865 -5.226 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.845 -15.659 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.754 -17.360 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.783 -15.855 -3.436 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.091 -17.731 -3.042 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.549 -18.204 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.285 -16.960 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.655 -15.668 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.316 -16.014 -1.609 1.00 0.00 H new ATOM 360 N ILE A 23 -8.306 -13.586 -4.790 1.00 0.00 N ATOM 361 CA ILE A 23 -7.371 -13.106 -5.800 1.00 0.00 C ATOM 362 C ILE A 23 -7.249 -14.098 -6.952 1.00 0.00 C ATOM 363 O ILE A 23 -7.270 -15.312 -6.746 1.00 0.00 O ATOM 364 CB ILE A 23 -5.974 -12.859 -5.201 1.00 0.00 C ATOM 365 CG1 ILE A 23 -6.056 -11.840 -4.062 1.00 0.00 C ATOM 366 CG2 ILE A 23 -5.012 -12.381 -6.278 1.00 0.00 C ATOM 367 CD1 ILE A 23 -6.335 -12.463 -2.712 1.00 0.00 C ATOM 0 H ILE A 23 -7.895 -14.214 -4.099 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.769 -12.163 -6.176 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.598 -13.799 -4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.118 -11.288 -4.011 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.840 -11.117 -4.288 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.029 -12.211 -5.838 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.934 -13.138 -7.059 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.382 -11.451 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.379 -11.682 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.288 -12.992 -2.745 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.539 -13.165 -2.464 1.00 0.00 H new ATOM 379 N THR A 24 -7.121 -13.573 -8.167 1.00 0.00 N ATOM 380 CA THR A 24 -6.995 -14.411 -9.352 1.00 0.00 C ATOM 381 C THR A 24 -6.077 -13.767 -10.386 1.00 0.00 C ATOM 382 O THR A 24 -6.165 -12.567 -10.645 1.00 0.00 O ATOM 383 CB THR A 24 -8.367 -14.681 -9.998 1.00 0.00 C ATOM 384 OG1 THR A 24 -9.272 -15.208 -9.022 1.00 0.00 O ATOM 385 CG2 THR A 24 -8.237 -15.658 -11.156 1.00 0.00 C ATOM 0 H THR A 24 -7.102 -12.571 -8.355 1.00 0.00 H new ATOM 0 HA THR A 24 -6.563 -15.357 -9.025 1.00 0.00 H new ATOM 0 HB THR A 24 -8.756 -13.738 -10.382 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.183 -14.912 -9.228 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.219 -15.833 -11.596 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.570 -15.241 -11.911 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.829 -16.601 -10.792 1.00 0.00 H new ATOM 393 N ASP A 25 -5.199 -14.572 -10.972 1.00 0.00 N ATOM 394 CA ASP A 25 -4.266 -14.081 -11.980 1.00 0.00 C ATOM 395 C ASP A 25 -4.923 -14.042 -13.356 1.00 0.00 C ATOM 396 O ASP A 25 -5.507 -15.029 -13.805 1.00 0.00 O ATOM 397 CB ASP A 25 -3.017 -14.963 -12.022 1.00 0.00 C ATOM 398 CG ASP A 25 -3.352 -16.437 -12.126 1.00 0.00 C ATOM 399 OD1 ASP A 25 -3.634 -17.056 -11.079 1.00 0.00 O ATOM 400 OD2 ASP A 25 -3.332 -16.973 -13.254 1.00 0.00 O ATOM 0 H ASP A 25 -5.113 -15.567 -10.767 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.976 -13.066 -11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.400 -14.673 -12.872 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.424 -14.791 -11.124 1.00 0.00 H new ATOM 405 N LEU A 26 -4.824 -12.896 -14.021 1.00 0.00 N ATOM 406 CA LEU A 26 -5.410 -12.727 -15.346 1.00 0.00 C ATOM 407 C LEU A 26 -4.336 -12.789 -16.428 1.00 0.00 C ATOM 408 O LEU A 26 -4.484 -13.496 -17.425 1.00 0.00 O ATOM 409 CB LEU A 26 -6.157 -11.395 -15.429 1.00 0.00 C ATOM 410 CG LEU A 26 -7.629 -11.424 -15.015 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.162 -10.011 -14.838 1.00 0.00 C ATOM 412 CD2 LEU A 26 -8.457 -12.184 -16.041 1.00 0.00 C ATOM 0 H LEU A 26 -4.343 -12.070 -13.664 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.114 -13.542 -15.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.638 -10.671 -14.801 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.096 -11.030 -16.454 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.707 -11.942 -14.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.211 -10.052 -14.543 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.588 -9.500 -14.065 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.070 -9.467 -15.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.502 -12.194 -15.730 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -8.372 -11.695 -17.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.091 -13.208 -16.118 1.00 0.00 H new ATOM 424 N VAL A 27 -3.253 -12.046 -16.223 1.00 0.00 N ATOM 425 CA VAL A 27 -2.152 -12.018 -17.178 1.00 0.00 C ATOM 426 C VAL A 27 -0.845 -12.450 -16.523 1.00 0.00 C ATOM 427 O VAL A 27 0.002 -13.077 -17.158 1.00 0.00 O ATOM 428 CB VAL A 27 -1.971 -10.615 -17.786 1.00 0.00 C ATOM 429 CG1 VAL A 27 -3.215 -10.201 -18.556 1.00 0.00 C ATOM 430 CG2 VAL A 27 -1.645 -9.602 -16.698 1.00 0.00 C ATOM 0 H VAL A 27 -3.115 -11.455 -15.403 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.405 -12.719 -17.973 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.135 -10.646 -18.485 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.068 -9.207 -18.978 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.399 -10.913 -19.360 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.072 -10.186 -17.882 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.520 -8.616 -17.145 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.459 -9.572 -15.973 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.722 -9.892 -16.195 1.00 0.00 H new ATOM 440 N GLY A 28 -0.688 -12.110 -15.247 1.00 0.00 N ATOM 441 CA GLY A 28 0.519 -12.471 -14.526 1.00 0.00 C ATOM 442 C GLY A 28 1.659 -11.506 -14.785 1.00 0.00 C ATOM 443 O GLY A 28 2.112 -10.812 -13.875 1.00 0.00 O ATOM 0 H GLY A 28 -1.375 -11.591 -14.700 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.306 -12.498 -13.457 1.00 0.00 H new ATOM 0 HA3 GLY A 28 0.825 -13.476 -14.816 1.00 0.00 H new ATOM 447 N ASP A 29 2.124 -11.463 -16.029 1.00 0.00 N ATOM 448 CA ASP A 29 3.219 -10.576 -16.405 1.00 0.00 C ATOM 449 C ASP A 29 2.932 -9.143 -15.968 1.00 0.00 C ATOM 450 O ASP A 29 3.586 -8.616 -15.068 1.00 0.00 O ATOM 451 CB ASP A 29 3.448 -10.625 -17.916 1.00 0.00 C ATOM 452 CG ASP A 29 3.692 -12.035 -18.419 1.00 0.00 C ATOM 453 OD1 ASP A 29 4.089 -12.895 -17.605 1.00 0.00 O ATOM 454 OD2 ASP A 29 3.486 -12.278 -19.626 1.00 0.00 O ATOM 0 H ASP A 29 1.760 -12.032 -16.794 1.00 0.00 H new ATOM 0 HA ASP A 29 4.121 -10.918 -15.898 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.581 -10.205 -18.426 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.302 -9.998 -18.172 1.00 0.00 H new ATOM 459 N GLN A 30 1.952 -8.518 -16.612 1.00 0.00 N ATOM 460 CA GLN A 30 1.581 -7.145 -16.291 1.00 0.00 C ATOM 461 C GLN A 30 1.137 -7.027 -14.837 1.00 0.00 C ATOM 462 O GLN A 30 0.707 -8.007 -14.227 1.00 0.00 O ATOM 463 CB GLN A 30 0.462 -6.666 -17.218 1.00 0.00 C ATOM 464 CG GLN A 30 0.482 -5.168 -17.472 1.00 0.00 C ATOM 465 CD GLN A 30 -0.891 -4.612 -17.795 1.00 0.00 C ATOM 466 OE1 GLN A 30 -1.158 -4.203 -18.925 1.00 0.00 O ATOM 467 NE2 GLN A 30 -1.772 -4.595 -16.801 1.00 0.00 N ATOM 0 H GLN A 30 1.401 -8.940 -17.359 1.00 0.00 H new ATOM 0 HA GLN A 30 2.459 -6.515 -16.437 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.542 -7.189 -18.171 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.500 -6.940 -16.784 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.878 -4.660 -16.593 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.160 -4.952 -18.297 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.508 -4.944 -15.880 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.712 -4.233 -16.959 1.00 0.00 H new ATOM 476 N ASP A 31 1.245 -5.823 -14.286 1.00 0.00 N ATOM 477 CA ASP A 31 0.855 -5.577 -12.903 1.00 0.00 C ATOM 478 C ASP A 31 -0.658 -5.416 -12.786 1.00 0.00 C ATOM 479 O ASP A 31 -1.149 -4.376 -12.345 1.00 0.00 O ATOM 480 CB ASP A 31 1.556 -4.328 -12.366 1.00 0.00 C ATOM 481 CG ASP A 31 3.010 -4.585 -12.020 1.00 0.00 C ATOM 482 OD1 ASP A 31 3.275 -5.510 -11.224 1.00 0.00 O ATOM 483 OD2 ASP A 31 3.882 -3.860 -12.543 1.00 0.00 O ATOM 0 H ASP A 31 1.600 -5.002 -14.776 1.00 0.00 H new ATOM 0 HA ASP A 31 1.159 -6.438 -12.308 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.497 -3.534 -13.110 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.031 -3.973 -11.479 1.00 0.00 H new ATOM 488 N HIS A 32 -1.391 -6.450 -13.184 1.00 0.00 N ATOM 489 CA HIS A 32 -2.848 -6.423 -13.125 1.00 0.00 C ATOM 490 C HIS A 32 -3.372 -7.476 -12.153 1.00 0.00 C ATOM 491 O HIS A 32 -2.988 -8.644 -12.221 1.00 0.00 O ATOM 492 CB HIS A 32 -3.441 -6.655 -14.515 1.00 0.00 C ATOM 493 CG HIS A 32 -4.767 -5.990 -14.719 1.00 0.00 C ATOM 494 ND1 HIS A 32 -4.932 -4.621 -14.701 1.00 0.00 N ATOM 495 CD2 HIS A 32 -5.994 -6.512 -14.949 1.00 0.00 C ATOM 496 CE1 HIS A 32 -6.204 -4.331 -14.909 1.00 0.00 C ATOM 497 NE2 HIS A 32 -6.870 -5.461 -15.064 1.00 0.00 N ATOM 0 H HIS A 32 -1.000 -7.318 -13.551 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.154 -5.440 -12.768 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.741 -6.288 -15.266 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.552 -7.727 -14.679 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.188 -3.939 -14.551 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.239 -7.561 -15.028 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -6.627 -3.338 -14.946 1.00 0.00 H new ATOM 505 N TYR A 33 -4.249 -7.055 -11.249 1.00 0.00 N ATOM 506 CA TYR A 33 -4.823 -7.961 -10.261 1.00 0.00 C ATOM 507 C TYR A 33 -6.333 -8.080 -10.443 1.00 0.00 C ATOM 508 O TYR A 33 -7.051 -7.080 -10.435 1.00 0.00 O ATOM 509 CB TYR A 33 -4.506 -7.473 -8.846 1.00 0.00 C ATOM 510 CG TYR A 33 -3.044 -7.152 -8.630 1.00 0.00 C ATOM 511 CD1 TYR A 33 -2.536 -5.896 -8.937 1.00 0.00 C ATOM 512 CD2 TYR A 33 -2.172 -8.105 -8.118 1.00 0.00 C ATOM 513 CE1 TYR A 33 -1.201 -5.599 -8.742 1.00 0.00 C ATOM 514 CE2 TYR A 33 -0.836 -7.816 -7.918 1.00 0.00 C ATOM 515 CZ TYR A 33 -0.355 -6.562 -8.232 1.00 0.00 C ATOM 516 OH TYR A 33 0.975 -6.269 -8.035 1.00 0.00 O ATOM 0 H TYR A 33 -4.578 -6.092 -11.180 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.379 -8.946 -10.407 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.100 -6.583 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.811 -8.236 -8.130 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.196 -5.139 -9.335 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.545 -9.088 -7.872 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.822 -4.618 -8.988 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.172 -8.568 -7.518 1.00 0.00 H new ATOM 0 HH TYR A 33 1.432 -7.055 -7.669 1.00 0.00 H new ATOM 526 N ALA A 34 -6.808 -9.310 -10.607 1.00 0.00 N ATOM 527 CA ALA A 34 -8.232 -9.562 -10.788 1.00 0.00 C ATOM 528 C ALA A 34 -8.925 -9.785 -9.449 1.00 0.00 C ATOM 529 O ALA A 34 -8.805 -10.852 -8.845 1.00 0.00 O ATOM 530 CB ALA A 34 -8.444 -10.761 -11.700 1.00 0.00 C ATOM 0 H ALA A 34 -6.227 -10.148 -10.618 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.675 -8.682 -11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -9.512 -10.938 -11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.991 -10.564 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.981 -11.642 -11.256 1.00 0.00 H new ATOM 536 N LEU A 35 -9.651 -8.772 -8.988 1.00 0.00 N ATOM 537 CA LEU A 35 -10.364 -8.857 -7.718 1.00 0.00 C ATOM 538 C LEU A 35 -11.795 -9.340 -7.928 1.00 0.00 C ATOM 539 O LEU A 35 -12.596 -8.671 -8.579 1.00 0.00 O ATOM 540 CB LEU A 35 -10.371 -7.494 -7.022 1.00 0.00 C ATOM 541 CG LEU A 35 -11.375 -7.328 -5.881 1.00 0.00 C ATOM 542 CD1 LEU A 35 -11.039 -8.267 -4.733 1.00 0.00 C ATOM 543 CD2 LEU A 35 -11.403 -5.885 -5.401 1.00 0.00 C ATOM 0 H LEU A 35 -9.761 -7.882 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.846 -9.578 -7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.372 -7.303 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -10.572 -6.727 -7.770 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.366 -7.585 -6.255 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.764 -8.134 -3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.072 -9.298 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.040 -8.042 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.123 -5.786 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.413 -5.601 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.693 -5.233 -6.225 1.00 0.00 H new ATOM 555 N GLU A 36 -12.109 -10.505 -7.370 1.00 0.00 N ATOM 556 CA GLU A 36 -13.444 -11.077 -7.496 1.00 0.00 C ATOM 557 C GLU A 36 -14.193 -11.007 -6.168 1.00 0.00 C ATOM 558 O GLU A 36 -13.785 -11.619 -5.180 1.00 0.00 O ATOM 559 CB GLU A 36 -13.359 -12.529 -7.971 1.00 0.00 C ATOM 560 CG GLU A 36 -12.309 -13.348 -7.239 1.00 0.00 C ATOM 561 CD GLU A 36 -12.524 -14.841 -7.391 1.00 0.00 C ATOM 562 OE1 GLU A 36 -13.377 -15.395 -6.667 1.00 0.00 O ATOM 563 OE2 GLU A 36 -11.838 -15.456 -8.234 1.00 0.00 O ATOM 0 H GLU A 36 -11.457 -11.071 -6.827 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.993 -10.493 -8.235 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.332 -13.002 -7.842 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -13.138 -12.541 -9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.321 -13.087 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.324 -13.088 -6.180 1.00 0.00 H new ATOM 570 N ILE A 37 -15.291 -10.258 -6.153 1.00 0.00 N ATOM 571 CA ILE A 37 -16.097 -10.109 -4.948 1.00 0.00 C ATOM 572 C ILE A 37 -17.488 -10.703 -5.140 1.00 0.00 C ATOM 573 O ILE A 37 -18.124 -10.497 -6.174 1.00 0.00 O ATOM 574 CB ILE A 37 -16.233 -8.630 -4.541 1.00 0.00 C ATOM 575 CG1 ILE A 37 -16.857 -8.516 -3.149 1.00 0.00 C ATOM 576 CG2 ILE A 37 -17.068 -7.874 -5.565 1.00 0.00 C ATOM 577 CD1 ILE A 37 -16.194 -7.477 -2.273 1.00 0.00 C ATOM 0 H ILE A 37 -15.642 -9.745 -6.962 1.00 0.00 H new ATOM 0 HA ILE A 37 -15.581 -10.649 -4.154 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.239 -8.184 -4.510 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -17.914 -8.271 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -16.801 -9.486 -2.654 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -17.155 -6.830 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -16.586 -7.931 -6.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -18.061 -8.319 -5.624 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -16.688 -7.451 -1.302 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -15.143 -7.732 -2.139 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -16.273 -6.498 -2.746 1.00 0.00 H new ATOM 589 N SER A 38 -17.955 -11.438 -4.136 1.00 0.00 N ATOM 590 CA SER A 38 -19.271 -12.064 -4.195 1.00 0.00 C ATOM 591 C SER A 38 -20.083 -11.740 -2.945 1.00 0.00 C ATOM 592 O SER A 38 -19.607 -11.906 -1.822 1.00 0.00 O ATOM 593 CB SER A 38 -19.133 -13.579 -4.349 1.00 0.00 C ATOM 594 OG SER A 38 -18.298 -13.907 -5.446 1.00 0.00 O ATOM 0 H SER A 38 -17.442 -11.615 -3.272 1.00 0.00 H new ATOM 0 HA SER A 38 -19.797 -11.665 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 38 -18.720 -14.004 -3.434 1.00 0.00 H new ATOM 0 HB3 SER A 38 -20.118 -14.024 -4.492 1.00 0.00 H new ATOM 0 HG SER A 38 -18.225 -14.881 -5.522 1.00 0.00 H new ATOM 600 N ASP A 39 -21.311 -11.276 -3.149 1.00 0.00 N ATOM 601 CA ASP A 39 -22.192 -10.929 -2.039 1.00 0.00 C ATOM 602 C ASP A 39 -23.639 -10.814 -2.508 1.00 0.00 C ATOM 603 O ASP A 39 -23.917 -10.844 -3.706 1.00 0.00 O ATOM 604 CB ASP A 39 -21.745 -9.615 -1.397 1.00 0.00 C ATOM 605 CG ASP A 39 -21.846 -9.645 0.115 1.00 0.00 C ATOM 606 OD1 ASP A 39 -22.759 -10.321 0.636 1.00 0.00 O ATOM 607 OD2 ASP A 39 -21.013 -8.993 0.779 1.00 0.00 O ATOM 0 H ASP A 39 -21.719 -11.131 -4.072 1.00 0.00 H new ATOM 0 HA ASP A 39 -22.132 -11.726 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -20.715 -9.405 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -22.356 -8.799 -1.783 1.00 0.00 H new ATOM 612 N ALA A 40 -24.556 -10.685 -1.555 1.00 0.00 N ATOM 613 CA ALA A 40 -25.974 -10.565 -1.871 1.00 0.00 C ATOM 614 C ALA A 40 -26.415 -9.105 -1.871 1.00 0.00 C ATOM 615 O ALA A 40 -27.552 -8.792 -1.520 1.00 0.00 O ATOM 616 CB ALA A 40 -26.804 -11.369 -0.882 1.00 0.00 C ATOM 0 H ALA A 40 -24.342 -10.661 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 40 -26.133 -10.965 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -27.861 -11.271 -1.129 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -26.515 -12.419 -0.934 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -26.631 -10.995 0.127 1.00 0.00 H new ATOM 622 N GLN A 41 -25.507 -8.218 -2.266 1.00 0.00 N ATOM 623 CA GLN A 41 -25.804 -6.791 -2.310 1.00 0.00 C ATOM 624 C GLN A 41 -25.735 -6.265 -3.740 1.00 0.00 C ATOM 625 O GLN A 41 -26.360 -5.257 -4.072 1.00 0.00 O ATOM 626 CB GLN A 41 -24.827 -6.018 -1.422 1.00 0.00 C ATOM 627 CG GLN A 41 -23.377 -6.139 -1.863 1.00 0.00 C ATOM 628 CD GLN A 41 -22.403 -6.012 -0.709 1.00 0.00 C ATOM 629 OE1 GLN A 41 -21.472 -5.207 -0.753 1.00 0.00 O ATOM 630 NE2 GLN A 41 -22.613 -6.808 0.334 1.00 0.00 N ATOM 0 H GLN A 41 -24.561 -8.462 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 41 -26.817 -6.644 -1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -25.110 -4.965 -1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -24.918 -6.378 -0.397 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -23.230 -7.101 -2.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -23.161 -5.368 -2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -23.397 -7.460 0.328 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -21.990 -6.767 1.141 1.00 0.00 H new ATOM 639 N PHE A 42 -24.972 -6.952 -4.582 1.00 0.00 N ATOM 640 CA PHE A 42 -24.820 -6.553 -5.977 1.00 0.00 C ATOM 641 C PHE A 42 -25.789 -7.322 -6.871 1.00 0.00 C ATOM 642 O PHE A 42 -25.507 -7.567 -8.043 1.00 0.00 O ATOM 643 CB PHE A 42 -23.382 -6.788 -6.443 1.00 0.00 C ATOM 644 CG PHE A 42 -22.349 -6.306 -5.465 1.00 0.00 C ATOM 645 CD1 PHE A 42 -22.185 -4.952 -5.221 1.00 0.00 C ATOM 646 CD2 PHE A 42 -21.542 -7.207 -4.790 1.00 0.00 C ATOM 647 CE1 PHE A 42 -21.234 -4.506 -4.323 1.00 0.00 C ATOM 648 CE2 PHE A 42 -20.589 -6.767 -3.890 1.00 0.00 C ATOM 649 CZ PHE A 42 -20.436 -5.415 -3.655 1.00 0.00 C ATOM 0 H PHE A 42 -24.449 -7.788 -4.323 1.00 0.00 H new ATOM 0 HA PHE A 42 -25.049 -5.490 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -23.235 -7.854 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -23.231 -6.284 -7.397 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -22.807 -4.237 -5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -21.659 -8.266 -4.969 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -21.115 -3.448 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.965 -7.480 -3.371 1.00 0.00 H new ATOM 0 HZ PHE A 42 -19.694 -5.069 -2.951 1.00 0.00 H new ATOM 659 N ASN A 43 -26.932 -7.700 -6.307 1.00 0.00 N ATOM 660 CA ASN A 43 -27.942 -8.442 -7.052 1.00 0.00 C ATOM 661 C ASN A 43 -28.736 -7.513 -7.966 1.00 0.00 C ATOM 662 O ASN A 43 -29.277 -7.941 -8.984 1.00 0.00 O ATOM 663 CB ASN A 43 -28.890 -9.161 -6.090 1.00 0.00 C ATOM 664 CG ASN A 43 -28.269 -10.408 -5.491 1.00 0.00 C ATOM 665 OD1 ASN A 43 -27.132 -10.762 -5.805 1.00 0.00 O ATOM 666 ND2 ASN A 43 -29.015 -11.083 -4.624 1.00 0.00 N ATOM 0 H ASN A 43 -27.181 -7.505 -5.337 1.00 0.00 H new ATOM 0 HA ASN A 43 -27.432 -9.181 -7.669 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -29.176 -8.480 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -29.804 -9.432 -6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -28.651 -11.931 -4.189 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -29.952 -10.753 -4.393 1.00 0.00 H new ATOM 673 N GLY A 44 -28.800 -6.238 -7.593 1.00 0.00 N ATOM 674 CA GLY A 44 -29.529 -5.268 -8.390 1.00 0.00 C ATOM 675 C GLY A 44 -28.644 -4.140 -8.881 1.00 0.00 C ATOM 676 O GLY A 44 -28.969 -3.468 -9.861 1.00 0.00 O ATOM 0 H GLY A 44 -28.360 -5.860 -6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -29.980 -5.771 -9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.345 -4.854 -7.797 1.00 0.00 H new ATOM 680 N LEU A 45 -27.524 -3.928 -8.199 1.00 0.00 N ATOM 681 CA LEU A 45 -26.590 -2.871 -8.570 1.00 0.00 C ATOM 682 C LEU A 45 -26.235 -2.954 -10.051 1.00 0.00 C ATOM 683 O LEU A 45 -26.484 -3.968 -10.704 1.00 0.00 O ATOM 684 CB LEU A 45 -25.320 -2.965 -7.724 1.00 0.00 C ATOM 685 CG LEU A 45 -25.366 -2.267 -6.364 1.00 0.00 C ATOM 686 CD1 LEU A 45 -24.830 -0.848 -6.475 1.00 0.00 C ATOM 687 CD2 LEU A 45 -26.785 -2.261 -5.815 1.00 0.00 C ATOM 0 H LEU A 45 -27.240 -4.474 -7.386 1.00 0.00 H new ATOM 0 HA LEU A 45 -27.073 -1.912 -8.384 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -25.093 -4.019 -7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -24.494 -2.545 -8.298 1.00 0.00 H new ATOM 0 HG LEU A 45 -24.732 -2.821 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -24.870 -0.366 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -23.798 -0.875 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -25.437 -0.284 -7.183 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.798 -1.760 -4.847 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.440 -1.732 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -27.134 -3.287 -5.698 1.00 0.00 H new ATOM 699 N SER A 46 -25.651 -1.881 -10.576 1.00 0.00 N ATOM 700 CA SER A 46 -25.263 -1.832 -11.980 1.00 0.00 C ATOM 701 C SER A 46 -23.759 -2.038 -12.136 1.00 0.00 C ATOM 702 O SER A 46 -22.999 -1.900 -11.177 1.00 0.00 O ATOM 703 CB SER A 46 -25.672 -0.493 -12.598 1.00 0.00 C ATOM 704 OG SER A 46 -25.138 -0.348 -13.902 1.00 0.00 O ATOM 0 H SER A 46 -25.436 -1.034 -10.049 1.00 0.00 H new ATOM 0 HA SER A 46 -25.779 -2.638 -12.502 1.00 0.00 H new ATOM 0 HB2 SER A 46 -26.759 -0.424 -12.637 1.00 0.00 H new ATOM 0 HB3 SER A 46 -25.324 0.324 -11.966 1.00 0.00 H new ATOM 0 HG SER A 46 -25.415 0.515 -14.275 1.00 0.00 H new ATOM 710 N LEU A 47 -23.337 -2.368 -13.352 1.00 0.00 N ATOM 711 CA LEU A 47 -21.924 -2.594 -13.635 1.00 0.00 C ATOM 712 C LEU A 47 -21.078 -1.418 -13.157 1.00 0.00 C ATOM 713 O LEU A 47 -19.972 -1.603 -12.649 1.00 0.00 O ATOM 714 CB LEU A 47 -21.713 -2.813 -15.135 1.00 0.00 C ATOM 715 CG LEU A 47 -21.976 -4.228 -15.650 1.00 0.00 C ATOM 716 CD1 LEU A 47 -21.037 -5.222 -14.983 1.00 0.00 C ATOM 717 CD2 LEU A 47 -23.427 -4.621 -15.413 1.00 0.00 C ATOM 0 H LEU A 47 -23.953 -2.485 -14.157 1.00 0.00 H new ATOM 0 HA LEU A 47 -21.609 -3.487 -13.096 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -22.361 -2.124 -15.677 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -20.686 -2.544 -15.380 1.00 0.00 H new ATOM 0 HG LEU A 47 -21.787 -4.244 -16.723 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -21.239 -6.224 -15.362 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.004 -4.952 -15.204 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.194 -5.204 -13.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -23.596 -5.631 -15.786 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -23.643 -4.587 -14.345 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -24.083 -3.926 -15.938 1.00 0.00 H new ATOM 729 N ILE A 48 -21.607 -0.210 -13.322 1.00 0.00 N ATOM 730 CA ILE A 48 -20.901 0.995 -12.905 1.00 0.00 C ATOM 731 C ILE A 48 -20.948 1.162 -11.390 1.00 0.00 C ATOM 732 O ILE A 48 -19.937 1.464 -10.757 1.00 0.00 O ATOM 733 CB ILE A 48 -21.495 2.252 -13.567 1.00 0.00 C ATOM 734 CG1 ILE A 48 -21.399 2.147 -15.090 1.00 0.00 C ATOM 735 CG2 ILE A 48 -20.779 3.500 -13.071 1.00 0.00 C ATOM 736 CD1 ILE A 48 -19.986 1.952 -15.595 1.00 0.00 C ATOM 0 H ILE A 48 -22.521 -0.040 -13.741 1.00 0.00 H new ATOM 0 HA ILE A 48 -19.865 0.881 -13.224 1.00 0.00 H new ATOM 0 HB ILE A 48 -22.547 2.326 -13.292 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -22.015 1.314 -15.428 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -21.814 3.051 -15.535 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -21.210 4.380 -13.548 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -20.894 3.580 -11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.720 3.435 -13.319 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.994 1.886 -16.683 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -19.370 2.797 -15.287 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -19.575 1.032 -15.179 1.00 0.00 H new ATOM 748 N ASN A 49 -22.128 0.961 -10.813 1.00 0.00 N ATOM 749 CA ASN A 49 -22.307 1.088 -9.372 1.00 0.00 C ATOM 750 C ASN A 49 -21.383 0.132 -8.623 1.00 0.00 C ATOM 751 O ASN A 49 -20.664 0.536 -7.710 1.00 0.00 O ATOM 752 CB ASN A 49 -23.763 0.812 -8.991 1.00 0.00 C ATOM 753 CG ASN A 49 -24.742 1.598 -9.841 1.00 0.00 C ATOM 754 OD1 ASN A 49 -24.361 2.542 -10.534 1.00 0.00 O ATOM 755 ND2 ASN A 49 -26.011 1.212 -9.791 1.00 0.00 N ATOM 0 H ASN A 49 -22.975 0.709 -11.322 1.00 0.00 H new ATOM 0 HA ASN A 49 -22.052 2.109 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -23.968 -0.253 -9.097 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -23.915 1.063 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -26.716 1.703 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -26.282 0.424 -9.203 1.00 0.00 H new ATOM 762 N GLN A 50 -21.410 -1.137 -9.017 1.00 0.00 N ATOM 763 CA GLN A 50 -20.575 -2.151 -8.383 1.00 0.00 C ATOM 764 C GLN A 50 -19.106 -1.742 -8.410 1.00 0.00 C ATOM 765 O GLN A 50 -18.398 -1.863 -7.410 1.00 0.00 O ATOM 766 CB GLN A 50 -20.754 -3.500 -9.082 1.00 0.00 C ATOM 767 CG GLN A 50 -22.054 -4.202 -8.725 1.00 0.00 C ATOM 768 CD GLN A 50 -22.677 -4.914 -9.909 1.00 0.00 C ATOM 769 OE1 GLN A 50 -22.062 -5.036 -10.969 1.00 0.00 O ATOM 770 NE2 GLN A 50 -23.906 -5.388 -9.736 1.00 0.00 N ATOM 0 H GLN A 50 -22.000 -1.487 -9.771 1.00 0.00 H new ATOM 0 HA GLN A 50 -20.888 -2.244 -7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -20.717 -3.349 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -19.917 -4.148 -8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -21.866 -4.923 -7.930 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -22.761 -3.471 -8.332 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -24.379 -5.265 -8.841 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -24.377 -5.875 -10.498 1.00 0.00 H new ATOM 779 N HIS A 51 -18.653 -1.257 -9.563 1.00 0.00 N ATOM 780 CA HIS A 51 -17.268 -0.830 -9.720 1.00 0.00 C ATOM 781 C HIS A 51 -16.997 0.441 -8.920 1.00 0.00 C ATOM 782 O HIS A 51 -15.855 0.729 -8.561 1.00 0.00 O ATOM 783 CB HIS A 51 -16.950 -0.593 -11.197 1.00 0.00 C ATOM 784 CG HIS A 51 -15.897 -1.511 -11.737 1.00 0.00 C ATOM 785 ND1 HIS A 51 -14.570 -1.151 -11.849 1.00 0.00 N ATOM 786 CD2 HIS A 51 -15.980 -2.781 -12.197 1.00 0.00 C ATOM 787 CE1 HIS A 51 -13.884 -2.160 -12.355 1.00 0.00 C ATOM 788 NE2 HIS A 51 -14.716 -3.162 -12.575 1.00 0.00 N ATOM 0 H HIS A 51 -19.225 -1.150 -10.401 1.00 0.00 H new ATOM 0 HA HIS A 51 -16.624 -1.623 -9.339 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -17.862 -0.716 -11.781 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -16.624 0.439 -11.329 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -16.875 -3.383 -12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -12.823 -2.165 -12.555 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -14.461 -4.071 -12.962 1.00 0.00 H new ATOM 796 N LYS A 52 -18.054 1.197 -8.644 1.00 0.00 N ATOM 797 CA LYS A 52 -17.931 2.437 -7.886 1.00 0.00 C ATOM 798 C LYS A 52 -17.844 2.153 -6.390 1.00 0.00 C ATOM 799 O LYS A 52 -16.996 2.709 -5.690 1.00 0.00 O ATOM 800 CB LYS A 52 -19.122 3.354 -8.173 1.00 0.00 C ATOM 801 CG LYS A 52 -18.809 4.830 -7.997 1.00 0.00 C ATOM 802 CD LYS A 52 -19.968 5.703 -8.445 1.00 0.00 C ATOM 803 CE LYS A 52 -19.920 5.967 -9.942 1.00 0.00 C ATOM 804 NZ LYS A 52 -21.049 6.830 -10.390 1.00 0.00 N ATOM 0 H LYS A 52 -19.006 0.973 -8.934 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.013 2.935 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.464 3.183 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -19.945 3.084 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.583 5.033 -6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.918 5.085 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.910 5.218 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -19.941 6.650 -7.906 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -18.974 6.445 -10.196 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.952 5.019 -10.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -20.980 6.986 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -21.952 6.362 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -21.004 7.744 -9.897 1.00 0.00 H new ATOM 818 N LEU A 53 -18.724 1.283 -5.905 1.00 0.00 N ATOM 819 CA LEU A 53 -18.745 0.924 -4.491 1.00 0.00 C ATOM 820 C LEU A 53 -17.360 0.496 -4.017 1.00 0.00 C ATOM 821 O LEU A 53 -16.830 1.038 -3.046 1.00 0.00 O ATOM 822 CB LEU A 53 -19.751 -0.202 -4.246 1.00 0.00 C ATOM 823 CG LEU A 53 -21.227 0.173 -4.389 1.00 0.00 C ATOM 824 CD1 LEU A 53 -22.110 -1.049 -4.190 1.00 0.00 C ATOM 825 CD2 LEU A 53 -21.597 1.268 -3.400 1.00 0.00 C ATOM 0 H LEU A 53 -19.432 0.814 -6.470 1.00 0.00 H new ATOM 0 HA LEU A 53 -19.047 1.803 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -19.534 -1.013 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.592 -0.592 -3.241 1.00 0.00 H new ATOM 0 HG LEU A 53 -21.390 0.552 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -23.156 -0.763 -4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -21.863 -1.802 -4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.945 -1.459 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -22.651 1.522 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -21.418 0.916 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -20.988 2.151 -3.590 1.00 0.00 H new ATOM 837 N VAL A 54 -16.778 -0.477 -4.709 1.00 0.00 N ATOM 838 CA VAL A 54 -15.453 -0.976 -4.362 1.00 0.00 C ATOM 839 C VAL A 54 -14.448 0.166 -4.249 1.00 0.00 C ATOM 840 O VAL A 54 -13.522 0.116 -3.439 1.00 0.00 O ATOM 841 CB VAL A 54 -14.944 -1.992 -5.402 1.00 0.00 C ATOM 842 CG1 VAL A 54 -15.746 -3.282 -5.324 1.00 0.00 C ATOM 843 CG2 VAL A 54 -15.007 -1.398 -6.801 1.00 0.00 C ATOM 0 H VAL A 54 -17.204 -0.936 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 54 -15.545 -1.473 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 54 -13.903 -2.226 -5.178 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.373 -3.988 -6.066 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -15.644 -3.714 -4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -16.797 -3.070 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -14.644 -2.129 -7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.038 -1.135 -7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -14.385 -0.504 -6.845 1.00 0.00 H new ATOM 853 N LYS A 55 -14.637 1.195 -5.068 1.00 0.00 N ATOM 854 CA LYS A 55 -13.749 2.352 -5.060 1.00 0.00 C ATOM 855 C LYS A 55 -14.098 3.298 -3.915 1.00 0.00 C ATOM 856 O LYS A 55 -13.232 3.996 -3.390 1.00 0.00 O ATOM 857 CB LYS A 55 -13.837 3.096 -6.395 1.00 0.00 C ATOM 858 CG LYS A 55 -13.411 2.257 -7.588 1.00 0.00 C ATOM 859 CD LYS A 55 -11.898 2.178 -7.703 1.00 0.00 C ATOM 860 CE LYS A 55 -11.338 1.012 -6.904 1.00 0.00 C ATOM 861 NZ LYS A 55 -10.139 0.418 -7.556 1.00 0.00 N ATOM 0 H LYS A 55 -15.397 1.252 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 55 -12.729 1.996 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.862 3.434 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.212 3.988 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.822 1.252 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.824 2.685 -8.501 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.617 2.071 -8.751 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.456 3.109 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -11.076 1.351 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.106 0.247 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.808 -0.395 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.386 0.102 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.384 1.131 -7.610 1.00 0.00 H new ATOM 875 N ASN A 56 -15.370 3.314 -3.533 1.00 0.00 N ATOM 876 CA ASN A 56 -15.832 4.173 -2.449 1.00 0.00 C ATOM 877 C ASN A 56 -15.447 3.592 -1.092 1.00 0.00 C ATOM 878 O ASN A 56 -15.101 4.326 -0.167 1.00 0.00 O ATOM 879 CB ASN A 56 -17.349 4.356 -2.527 1.00 0.00 C ATOM 880 CG ASN A 56 -17.818 4.712 -3.924 1.00 0.00 C ATOM 881 OD1 ASN A 56 -17.131 5.421 -4.660 1.00 0.00 O ATOM 882 ND2 ASN A 56 -18.994 4.221 -4.297 1.00 0.00 N ATOM 0 H ASN A 56 -16.100 2.742 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.350 5.144 -2.558 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.840 3.438 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.654 5.140 -1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -19.361 4.427 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -19.530 3.638 -3.655 1.00 0.00 H new ATOM 889 N ALA A 57 -15.510 2.269 -0.982 1.00 0.00 N ATOM 890 CA ALA A 57 -15.166 1.589 0.261 1.00 0.00 C ATOM 891 C ALA A 57 -13.723 1.877 0.663 1.00 0.00 C ATOM 892 O ALA A 57 -13.346 1.708 1.823 1.00 0.00 O ATOM 893 CB ALA A 57 -15.388 0.090 0.121 1.00 0.00 C ATOM 0 H ALA A 57 -15.796 1.647 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.818 1.970 1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.127 -0.405 1.056 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.435 -0.103 -0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -14.761 -0.297 -0.682 1.00 0.00 H new ATOM 899 N LEU A 58 -12.921 2.313 -0.302 1.00 0.00 N ATOM 900 CA LEU A 58 -11.519 2.625 -0.049 1.00 0.00 C ATOM 901 C LEU A 58 -11.220 4.087 -0.362 1.00 0.00 C ATOM 902 O LEU A 58 -10.062 4.501 -0.399 1.00 0.00 O ATOM 903 CB LEU A 58 -10.615 1.717 -0.886 1.00 0.00 C ATOM 904 CG LEU A 58 -10.909 1.677 -2.386 1.00 0.00 C ATOM 905 CD1 LEU A 58 -10.187 2.808 -3.102 1.00 0.00 C ATOM 906 CD2 LEU A 58 -10.508 0.331 -2.972 1.00 0.00 C ATOM 0 H LEU A 58 -13.218 2.458 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.320 2.452 1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.583 2.038 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -10.689 0.703 -0.494 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.981 1.809 -2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.408 2.763 -4.168 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.522 3.765 -2.702 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.112 2.708 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.724 0.320 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.441 0.170 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.071 -0.462 -2.480 1.00 0.00 H new ATOM 918 N SER A 59 -12.274 4.866 -0.585 1.00 0.00 N ATOM 919 CA SER A 59 -12.125 6.283 -0.897 1.00 0.00 C ATOM 920 C SER A 59 -12.145 7.124 0.376 1.00 0.00 C ATOM 921 O SER A 59 -11.462 8.143 0.469 1.00 0.00 O ATOM 922 CB SER A 59 -13.240 6.739 -1.840 1.00 0.00 C ATOM 923 OG SER A 59 -13.201 8.142 -2.034 1.00 0.00 O ATOM 0 H SER A 59 -13.240 4.540 -0.555 1.00 0.00 H new ATOM 0 HA SER A 59 -11.163 6.422 -1.389 1.00 0.00 H new ATOM 0 HB2 SER A 59 -13.138 6.233 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.208 6.452 -1.429 1.00 0.00 H new ATOM 0 HG SER A 59 -13.922 8.408 -2.642 1.00 0.00 H new ATOM 929 N GLU A 60 -12.932 6.688 1.354 1.00 0.00 N ATOM 930 CA GLU A 60 -13.041 7.401 2.622 1.00 0.00 C ATOM 931 C GLU A 60 -11.995 6.906 3.616 1.00 0.00 C ATOM 932 O GLU A 60 -11.463 7.682 4.410 1.00 0.00 O ATOM 933 CB GLU A 60 -14.443 7.228 3.210 1.00 0.00 C ATOM 934 CG GLU A 60 -14.899 5.780 3.281 1.00 0.00 C ATOM 935 CD GLU A 60 -15.310 5.366 4.681 1.00 0.00 C ATOM 936 OE1 GLU A 60 -14.718 5.883 5.651 1.00 0.00 O ATOM 937 OE2 GLU A 60 -16.224 4.524 4.805 1.00 0.00 O ATOM 0 H GLU A 60 -13.503 5.845 1.293 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.863 8.459 2.432 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.463 7.656 4.212 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.153 7.795 2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.739 5.634 2.602 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.093 5.132 2.936 1.00 0.00 H new ATOM 944 N ILE A 61 -11.707 5.610 3.566 1.00 0.00 N ATOM 945 CA ILE A 61 -10.725 5.011 4.462 1.00 0.00 C ATOM 946 C ILE A 61 -9.328 5.051 3.852 1.00 0.00 C ATOM 947 O ILE A 61 -8.328 4.884 4.551 1.00 0.00 O ATOM 948 CB ILE A 61 -11.085 3.552 4.798 1.00 0.00 C ATOM 949 CG1 ILE A 61 -12.515 3.467 5.336 1.00 0.00 C ATOM 950 CG2 ILE A 61 -10.099 2.982 5.807 1.00 0.00 C ATOM 951 CD1 ILE A 61 -13.370 2.446 4.620 1.00 0.00 C ATOM 0 H ILE A 61 -12.139 4.955 2.915 1.00 0.00 H new ATOM 0 HA ILE A 61 -10.735 5.599 5.380 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.025 2.959 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.481 3.221 6.397 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.985 4.447 5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -10.367 1.950 6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.093 3.012 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -10.130 3.575 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.370 2.440 5.054 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -13.435 2.703 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -12.923 1.458 4.727 1.00 0.00 H new ATOM 963 N LEU A 62 -9.266 5.275 2.544 1.00 0.00 N ATOM 964 CA LEU A 62 -7.991 5.339 1.838 1.00 0.00 C ATOM 965 C LEU A 62 -7.208 4.041 2.010 1.00 0.00 C ATOM 966 O LEU A 62 -5.986 4.019 1.869 1.00 0.00 O ATOM 967 CB LEU A 62 -7.163 6.520 2.347 1.00 0.00 C ATOM 968 CG LEU A 62 -7.493 7.883 1.739 1.00 0.00 C ATOM 969 CD1 LEU A 62 -7.296 7.857 0.231 1.00 0.00 C ATOM 970 CD2 LEU A 62 -8.918 8.290 2.085 1.00 0.00 C ATOM 0 H LEU A 62 -10.084 5.415 1.951 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.197 5.479 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.288 6.587 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.110 6.307 2.161 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.812 8.622 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.536 8.836 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.259 7.611 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.952 7.106 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.136 9.263 1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.614 7.549 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -9.026 8.350 3.168 1.00 0.00 H new ATOM 982 N ASN A 63 -7.920 2.962 2.314 1.00 0.00 N ATOM 983 CA ASN A 63 -7.292 1.659 2.504 1.00 0.00 C ATOM 984 C ASN A 63 -6.400 1.308 1.317 1.00 0.00 C ATOM 985 O ASN A 63 -5.176 1.254 1.439 1.00 0.00 O ATOM 986 CB ASN A 63 -8.358 0.578 2.694 1.00 0.00 C ATOM 987 CG ASN A 63 -8.592 0.248 4.155 1.00 0.00 C ATOM 988 OD1 ASN A 63 -7.911 0.769 5.038 1.00 0.00 O ATOM 989 ND2 ASN A 63 -9.560 -0.623 4.417 1.00 0.00 N ATOM 0 H ASN A 63 -8.933 2.963 2.434 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.672 1.709 3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -9.294 0.911 2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.054 -0.325 2.164 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.764 -0.884 5.382 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.100 -1.030 3.653 1.00 0.00 H new ATOM 996 N LYS A 64 -7.022 1.069 0.167 1.00 0.00 N ATOM 997 CA LYS A 64 -6.287 0.724 -1.044 1.00 0.00 C ATOM 998 C LYS A 64 -5.208 1.761 -1.340 1.00 0.00 C ATOM 999 O LYS A 64 -5.350 2.935 -0.996 1.00 0.00 O ATOM 1000 CB LYS A 64 -7.244 0.615 -2.233 1.00 0.00 C ATOM 1001 CG LYS A 64 -6.661 -0.139 -3.415 1.00 0.00 C ATOM 1002 CD LYS A 64 -6.763 -1.643 -3.223 1.00 0.00 C ATOM 1003 CE LYS A 64 -5.499 -2.212 -2.599 1.00 0.00 C ATOM 1004 NZ LYS A 64 -5.208 -3.588 -3.090 1.00 0.00 N ATOM 0 H LYS A 64 -8.034 1.108 0.049 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.805 -0.240 -0.884 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.157 0.116 -1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.526 1.617 -2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.186 0.149 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.616 0.142 -3.547 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -7.619 -1.873 -2.588 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.943 -2.122 -4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.656 -1.559 -2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.605 -2.228 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.132 -4.237 -2.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.977 -3.903 -3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.312 -3.586 -3.617 1.00 0.00 H new ATOM 1018 N LYS A 65 -4.131 1.322 -1.980 1.00 0.00 N ATOM 1019 CA LYS A 65 -3.029 2.212 -2.325 1.00 0.00 C ATOM 1020 C LYS A 65 -2.774 2.204 -3.829 1.00 0.00 C ATOM 1021 O LYS A 65 -2.410 3.226 -4.413 1.00 0.00 O ATOM 1022 CB LYS A 65 -1.758 1.797 -1.580 1.00 0.00 C ATOM 1023 CG LYS A 65 -1.684 2.332 -0.161 1.00 0.00 C ATOM 1024 CD LYS A 65 -0.246 2.560 0.275 1.00 0.00 C ATOM 1025 CE LYS A 65 -0.176 3.306 1.598 1.00 0.00 C ATOM 1026 NZ LYS A 65 -0.750 2.507 2.716 1.00 0.00 N ATOM 0 H LYS A 65 -3.997 0.354 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 65 -3.305 3.223 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -1.702 0.709 -1.553 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.889 2.147 -2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.238 3.268 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.164 1.629 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.263 1.601 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.282 3.127 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.862 3.551 1.822 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.715 4.250 1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.638 3.029 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.761 2.338 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.253 1.596 2.782 1.00 0.00 H new ATOM 1040 N LEU A 66 -2.969 1.047 -4.452 1.00 0.00 N ATOM 1041 CA LEU A 66 -2.762 0.907 -5.889 1.00 0.00 C ATOM 1042 C LEU A 66 -3.528 1.981 -6.657 1.00 0.00 C ATOM 1043 O LEU A 66 -4.353 2.696 -6.088 1.00 0.00 O ATOM 1044 CB LEU A 66 -3.204 -0.481 -6.355 1.00 0.00 C ATOM 1045 CG LEU A 66 -2.127 -1.567 -6.341 1.00 0.00 C ATOM 1046 CD1 LEU A 66 -1.039 -1.253 -7.356 1.00 0.00 C ATOM 1047 CD2 LEU A 66 -1.534 -1.712 -4.948 1.00 0.00 C ATOM 0 H LEU A 66 -3.270 0.192 -3.984 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.698 1.030 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.030 -0.808 -5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.592 -0.395 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.590 -2.514 -6.617 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.282 -2.037 -7.332 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.476 -1.201 -8.353 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.579 -0.296 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.770 -2.489 -4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.086 -0.766 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.320 -1.985 -4.244 1.00 0.00 H new ATOM 1059 N HIS A 67 -3.249 2.087 -7.952 1.00 0.00 N ATOM 1060 CA HIS A 67 -3.914 3.071 -8.799 1.00 0.00 C ATOM 1061 C HIS A 67 -5.261 2.547 -9.288 1.00 0.00 C ATOM 1062 O HIS A 67 -6.306 3.129 -9.000 1.00 0.00 O ATOM 1063 CB HIS A 67 -3.029 3.429 -9.993 1.00 0.00 C ATOM 1064 CG HIS A 67 -3.314 4.783 -10.566 1.00 0.00 C ATOM 1065 ND1 HIS A 67 -3.337 5.932 -9.805 1.00 0.00 N ATOM 1066 CD2 HIS A 67 -3.586 5.168 -11.835 1.00 0.00 C ATOM 1067 CE1 HIS A 67 -3.614 6.965 -10.580 1.00 0.00 C ATOM 1068 NE2 HIS A 67 -3.769 6.529 -11.817 1.00 0.00 N ATOM 0 H HIS A 67 -2.567 1.504 -8.438 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.088 3.967 -8.203 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -1.984 3.386 -9.686 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -3.163 2.678 -10.772 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -3.648 4.525 -12.700 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -3.699 7.992 -10.257 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.989 7.109 -12.627 1.00 0.00 H new ATOM 1076 N SER A 68 -5.227 1.444 -10.029 1.00 0.00 N ATOM 1077 CA SER A 68 -6.444 0.844 -10.562 1.00 0.00 C ATOM 1078 C SER A 68 -6.239 -0.641 -10.844 1.00 0.00 C ATOM 1079 O SER A 68 -5.123 -1.084 -11.117 1.00 0.00 O ATOM 1080 CB SER A 68 -6.875 1.563 -11.842 1.00 0.00 C ATOM 1081 OG SER A 68 -8.252 1.359 -12.103 1.00 0.00 O ATOM 0 H SER A 68 -4.370 0.948 -10.274 1.00 0.00 H new ATOM 0 HA SER A 68 -7.229 0.949 -9.813 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.674 2.630 -11.749 1.00 0.00 H new ATOM 0 HB3 SER A 68 -6.285 1.200 -12.683 1.00 0.00 H new ATOM 0 HG SER A 68 -8.502 1.830 -12.925 1.00 0.00 H new ATOM 1087 N ILE A 69 -7.324 -1.405 -10.777 1.00 0.00 N ATOM 1088 CA ILE A 69 -7.265 -2.840 -11.026 1.00 0.00 C ATOM 1089 C ILE A 69 -8.600 -3.365 -11.543 1.00 0.00 C ATOM 1090 O ILE A 69 -9.605 -2.654 -11.529 1.00 0.00 O ATOM 1091 CB ILE A 69 -6.879 -3.617 -9.753 1.00 0.00 C ATOM 1092 CG1 ILE A 69 -7.725 -3.148 -8.567 1.00 0.00 C ATOM 1093 CG2 ILE A 69 -5.397 -3.443 -9.455 1.00 0.00 C ATOM 1094 CD1 ILE A 69 -7.410 -3.872 -7.277 1.00 0.00 C ATOM 0 H ILE A 69 -8.255 -1.054 -10.552 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.498 -2.997 -11.785 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.074 -4.677 -9.918 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.571 -2.079 -8.421 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -8.779 -3.288 -8.805 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.140 -3.998 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.811 -3.820 -10.293 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.178 -2.386 -9.306 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.047 -3.489 -6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.592 -4.939 -7.405 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -6.364 -3.711 -7.015 1.00 0.00 H new ATOM 1106 N SER A 70 -8.603 -4.614 -11.996 1.00 0.00 N ATOM 1107 CA SER A 70 -9.815 -5.234 -12.520 1.00 0.00 C ATOM 1108 C SER A 70 -10.710 -5.721 -11.384 1.00 0.00 C ATOM 1109 O SER A 70 -10.298 -6.541 -10.563 1.00 0.00 O ATOM 1110 CB SER A 70 -9.458 -6.403 -13.441 1.00 0.00 C ATOM 1111 OG SER A 70 -10.463 -7.401 -13.410 1.00 0.00 O ATOM 0 H SER A 70 -7.780 -5.217 -12.011 1.00 0.00 H new ATOM 0 HA SER A 70 -10.360 -4.483 -13.093 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.332 -6.041 -14.461 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.504 -6.833 -13.135 1.00 0.00 H new ATOM 0 HG SER A 70 -10.212 -8.136 -14.008 1.00 0.00 H new ATOM 1117 N ILE A 71 -11.936 -5.211 -11.345 1.00 0.00 N ATOM 1118 CA ILE A 71 -12.890 -5.594 -10.312 1.00 0.00 C ATOM 1119 C ILE A 71 -14.063 -6.366 -10.906 1.00 0.00 C ATOM 1120 O ILE A 71 -14.909 -5.798 -11.596 1.00 0.00 O ATOM 1121 CB ILE A 71 -13.428 -4.364 -9.559 1.00 0.00 C ATOM 1122 CG1 ILE A 71 -12.279 -3.597 -8.902 1.00 0.00 C ATOM 1123 CG2 ILE A 71 -14.453 -4.787 -8.517 1.00 0.00 C ATOM 1124 CD1 ILE A 71 -12.529 -2.109 -8.793 1.00 0.00 C ATOM 0 H ILE A 71 -12.292 -4.531 -12.017 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.355 -6.234 -9.610 1.00 0.00 H new ATOM 0 HB ILE A 71 -13.917 -3.704 -10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.106 -4.002 -7.905 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.367 -3.763 -9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -14.824 -3.906 -7.993 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -15.284 -5.294 -9.008 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.987 -5.465 -7.802 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.673 -1.630 -8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -12.672 -1.690 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -13.422 -1.933 -8.194 1.00 0.00 H new ATOM 1136 N LYS A 72 -14.109 -7.666 -10.631 1.00 0.00 N ATOM 1137 CA LYS A 72 -15.180 -8.517 -11.135 1.00 0.00 C ATOM 1138 C LYS A 72 -16.367 -8.522 -10.177 1.00 0.00 C ATOM 1139 O LYS A 72 -16.199 -8.642 -8.963 1.00 0.00 O ATOM 1140 CB LYS A 72 -14.670 -9.945 -11.340 1.00 0.00 C ATOM 1141 CG LYS A 72 -15.724 -10.896 -11.881 1.00 0.00 C ATOM 1142 CD LYS A 72 -15.331 -12.347 -11.664 1.00 0.00 C ATOM 1143 CE LYS A 72 -16.495 -13.287 -11.936 1.00 0.00 C ATOM 1144 NZ LYS A 72 -16.507 -13.760 -13.348 1.00 0.00 N ATOM 0 H LYS A 72 -13.417 -8.153 -10.062 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.510 -8.115 -12.093 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.824 -9.925 -12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.299 -10.329 -10.390 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -16.678 -10.700 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -15.868 -10.713 -12.946 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.497 -12.601 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.985 -12.482 -10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.433 -14.145 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -17.433 -12.777 -11.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.315 -14.398 -13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.591 -12.944 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.623 -14.269 -13.551 1.00 0.00 H new ATOM 1158 N THR A 73 -17.569 -8.394 -10.731 1.00 0.00 N ATOM 1159 CA THR A 73 -18.784 -8.384 -9.926 1.00 0.00 C ATOM 1160 C THR A 73 -19.471 -9.744 -9.952 1.00 0.00 C ATOM 1161 O THR A 73 -19.796 -10.266 -11.019 1.00 0.00 O ATOM 1162 CB THR A 73 -19.775 -7.311 -10.417 1.00 0.00 C ATOM 1163 OG1 THR A 73 -20.334 -7.701 -11.676 1.00 0.00 O ATOM 1164 CG2 THR A 73 -19.086 -5.962 -10.557 1.00 0.00 C ATOM 0 H THR A 73 -17.727 -8.296 -11.734 1.00 0.00 H new ATOM 0 HA THR A 73 -18.484 -8.150 -8.904 1.00 0.00 H new ATOM 0 HB THR A 73 -20.572 -7.218 -9.679 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.230 -8.668 -11.794 1.00 0.00 H new ATOM 0 HG21 THR A 73 -19.805 -5.220 -10.905 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.687 -5.655 -9.590 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.271 -6.043 -11.277 1.00 0.00 H new ATOM 1172 N ILE A 74 -19.691 -10.313 -8.771 1.00 0.00 N ATOM 1173 CA ILE A 74 -20.342 -11.613 -8.660 1.00 0.00 C ATOM 1174 C ILE A 74 -21.568 -11.538 -7.755 1.00 0.00 C ATOM 1175 O ILE A 74 -21.457 -11.237 -6.566 1.00 0.00 O ATOM 1176 CB ILE A 74 -19.377 -12.680 -8.111 1.00 0.00 C ATOM 1177 CG1 ILE A 74 -18.159 -12.817 -9.027 1.00 0.00 C ATOM 1178 CG2 ILE A 74 -20.092 -14.016 -7.968 1.00 0.00 C ATOM 1179 CD1 ILE A 74 -16.969 -12.001 -8.574 1.00 0.00 C ATOM 0 H ILE A 74 -19.428 -9.895 -7.879 1.00 0.00 H new ATOM 0 HA ILE A 74 -20.652 -11.898 -9.665 1.00 0.00 H new ATOM 0 HB ILE A 74 -19.033 -12.366 -7.125 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -17.871 -13.867 -9.080 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -18.437 -12.511 -10.036 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -19.397 -14.761 -7.579 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -20.931 -13.908 -7.280 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -20.460 -14.338 -8.942 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -16.142 -12.146 -9.270 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.240 -10.946 -8.548 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.665 -12.322 -7.578 1.00 0.00 H new ATOM 1191 N SER A 75 -22.736 -11.815 -8.326 1.00 0.00 N ATOM 1192 CA SER A 75 -23.983 -11.777 -7.571 1.00 0.00 C ATOM 1193 C SER A 75 -24.398 -13.180 -7.137 1.00 0.00 C ATOM 1194 O SER A 75 -23.976 -14.174 -7.728 1.00 0.00 O ATOM 1195 CB SER A 75 -25.093 -11.142 -8.411 1.00 0.00 C ATOM 1196 OG SER A 75 -26.355 -11.703 -8.097 1.00 0.00 O ATOM 0 H SER A 75 -22.845 -12.068 -9.308 1.00 0.00 H new ATOM 0 HA SER A 75 -23.821 -11.172 -6.679 1.00 0.00 H new ATOM 0 HB2 SER A 75 -25.116 -10.066 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.880 -11.288 -9.470 1.00 0.00 H new ATOM 0 HG SER A 75 -26.668 -11.345 -7.240 1.00 0.00 H new ATOM 1202 N ILE A 76 -25.227 -13.250 -6.101 1.00 0.00 N ATOM 1203 CA ILE A 76 -25.700 -14.530 -5.588 1.00 0.00 C ATOM 1204 C ILE A 76 -27.220 -14.627 -5.670 1.00 0.00 C ATOM 1205 O ILE A 76 -27.927 -14.538 -4.666 1.00 0.00 O ATOM 1206 CB ILE A 76 -25.260 -14.748 -4.128 1.00 0.00 C ATOM 1207 CG1 ILE A 76 -23.746 -14.570 -3.997 1.00 0.00 C ATOM 1208 CG2 ILE A 76 -25.680 -16.130 -3.650 1.00 0.00 C ATOM 1209 CD1 ILE A 76 -23.255 -14.612 -2.566 1.00 0.00 C ATOM 0 H ILE A 76 -25.585 -12.436 -5.601 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.255 -15.305 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.750 -14.003 -3.501 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -23.245 -15.352 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -23.460 -13.617 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -25.362 -16.270 -2.617 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -26.764 -16.222 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -25.215 -16.889 -4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -22.173 -14.479 -2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -23.728 -13.813 -1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.510 -15.574 -2.122 1.00 0.00 H new ATOM 1221 N PRO A 77 -27.736 -14.815 -6.893 1.00 0.00 N ATOM 1222 CA PRO A 77 -29.177 -14.931 -7.135 1.00 0.00 C ATOM 1223 C PRO A 77 -29.754 -16.231 -6.584 1.00 0.00 C ATOM 1224 O PRO A 77 -29.966 -16.365 -5.379 1.00 0.00 O ATOM 1225 CB PRO A 77 -29.283 -14.904 -8.662 1.00 0.00 C ATOM 1226 CG PRO A 77 -27.964 -15.400 -9.143 1.00 0.00 C ATOM 1227 CD PRO A 77 -26.952 -14.930 -8.135 1.00 0.00 C ATOM 0 HA PRO A 77 -29.739 -14.138 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -30.096 -15.539 -9.013 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -29.484 -13.897 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -27.961 -16.487 -9.221 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -27.738 -15.008 -10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -26.132 -15.640 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -26.512 -13.975 -8.422 1.00 0.00 H new TER 1235 PRO A 77