USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -0.629 X(o=0.59,f=0.82) USER MOD Set 1.2: A 89 THR OG1 : rot 57:sc= 1.22 USER MOD Set 2.1: A 65 ASN : amide:sc=-0.00794 K(o=-0.55,f=-5.2) USER MOD Set 2.2: A 69 THR OG1 : rot 80:sc= -0.537 USER MOD Set 3.1: A 51 THR OG1 : rot 169:sc= -0.049 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0.00197 USER MOD Set 4.1: A 24 SER OG : rot 180:sc= -0.154 USER MOD Set 4.2: A 27 ASN : amide:sc= -1.89! K(o=-2!,f=0.97) USER MOD Set 5.1: A 23 TYR OH : rot -149:sc= 0.0074 USER MOD Set 5.2: A 106 ASN : amide:sc= -0.0129 X(o=-0.0055,f=-0.059) USER MOD Set 6.1: A 20 TYR OH : rot -30:sc= -0.0148 USER MOD Set 6.2: A 96 LYS NZ :NH3+ -156:sc= 0.0299 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= -12! (180deg=-12!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.33) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0.0821 (180deg=0) USER MOD Single : A 36 SER OG : rot -97:sc= -1.41! USER MOD Single : A 37 ASN : amide:sc= -0.0825 X(o=-0.082,f=-0.43) USER MOD Single : A 39 ASN : amide:sc= -0.228 K(o=-0.23,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 104:sc= 1.26 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 43 THR OG1 : rot -15:sc= 0.256! USER MOD Single : A 44 ASN : amide:sc= -0.0422 X(o=-0.042,f=-0.18) USER MOD Single : A 46 ASN : amide:sc=-0.00627 X(o=-0.0063,f=0.23) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 38:sc= 0.466 USER MOD Single : A 57 GLN : amide:sc= -2.41! C(o=-2.4!,f=-4.8!) USER MOD Single : A 59 ASN : amide:sc= -8.53! C(o=-8.5!,f=-8.2!) USER MOD Single : A 60 SER OG : rot 118:sc= 0.364 USER MOD Single : A 72 SER OG : rot 88:sc= -1.28! USER MOD Single : A 74 ASN : amide:sc= -2.25 K(o=-2.3,f=-3.3) USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -97:sc= 0.0515 USER MOD Single : A 86 SER OG : rot 180:sc= 0.0516 USER MOD Single : A 91 SER OG : rot 91:sc= -0.476 USER MOD Single : A 93 ASN : amide:sc= -0.0494 X(o=-0.049,f=0.088) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= -0.942 K(o=-0.94,f=-2.3) USER MOD Single : A 105 MET CE :methyl -145:sc= -3.45 (180deg=-5.32!) USER MOD Single : A 113 ASN : amide:sc= -1.15 K(o=-1.2,f=-2.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -57:sc= 0.759 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.751 -10.896 1.972 1.00 0.00 N ATOM 2 CA LYS A 1 -5.575 -11.485 1.282 1.00 0.00 C ATOM 3 C LYS A 1 -4.593 -10.402 0.844 1.00 0.00 C ATOM 4 O LYS A 1 -4.766 -9.782 -0.204 1.00 0.00 O ATOM 5 CB LYS A 1 -6.067 -12.273 0.066 1.00 0.00 C ATOM 6 CG LYS A 1 -5.194 -13.469 -0.278 1.00 0.00 C ATOM 7 CD LYS A 1 -4.299 -13.180 -1.471 1.00 0.00 C ATOM 8 CE LYS A 1 -3.519 -14.414 -1.895 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.332 -14.645 -1.025 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.402 -11.655 2.259 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.434 -10.375 2.815 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.242 -10.245 1.327 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.050 -12.146 1.972 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.084 -12.618 0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.111 -11.606 -0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.580 -13.732 0.583 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.825 -14.331 -0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.906 -12.827 -2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.605 -12.378 -1.220 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.171 -15.286 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.195 -14.301 -2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -1.826 -15.495 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.697 -13.823 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.643 -14.778 -0.042 1.00 0.00 H new ATOM 25 N VAL A 2 -3.564 -10.180 1.654 1.00 0.00 N ATOM 26 CA VAL A 2 -2.552 -9.173 1.353 1.00 0.00 C ATOM 27 C VAL A 2 -1.409 -9.771 0.536 1.00 0.00 C ATOM 28 O VAL A 2 -1.079 -10.948 0.681 1.00 0.00 O ATOM 29 CB VAL A 2 -1.985 -8.551 2.651 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.751 -7.708 2.365 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.041 -7.710 3.348 1.00 0.00 C ATOM 0 H VAL A 2 -3.408 -10.685 2.526 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.036 -8.392 0.767 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.694 -9.369 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.376 -7.284 3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.020 -8.333 1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.012 -6.902 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.622 -7.282 4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.364 -6.908 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.896 -8.337 3.602 1.00 0.00 H new ATOM 41 N PHE A 3 -0.790 -8.945 -0.305 1.00 0.00 N ATOM 42 CA PHE A 3 0.332 -9.372 -1.124 1.00 0.00 C ATOM 43 C PHE A 3 1.546 -9.679 -0.259 1.00 0.00 C ATOM 44 O PHE A 3 1.619 -9.276 0.903 1.00 0.00 O ATOM 45 CB PHE A 3 0.718 -8.267 -2.109 1.00 0.00 C ATOM 46 CG PHE A 3 -0.045 -8.280 -3.397 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.336 -9.111 -4.435 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.133 -7.445 -3.574 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.358 -9.110 -5.628 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.830 -7.437 -4.764 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.442 -8.271 -5.794 1.00 0.00 C ATOM 0 H PHE A 3 -1.053 -7.968 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 3 0.026 -10.269 -1.662 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.571 -7.301 -1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.781 -8.353 -2.332 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.185 -9.767 -4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.440 -6.792 -2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -0.053 -9.765 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.678 -6.780 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.985 -8.267 -6.727 1.00 0.00 H new ATOM 61 N GLY A 4 2.505 -10.370 -0.850 1.00 0.00 N ATOM 62 CA GLY A 4 3.727 -10.703 -0.150 1.00 0.00 C ATOM 63 C GLY A 4 4.792 -9.650 -0.376 1.00 0.00 C ATOM 64 O GLY A 4 4.760 -8.944 -1.382 1.00 0.00 O ATOM 0 H GLY A 4 2.459 -10.709 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.524 -10.796 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.092 -11.672 -0.491 1.00 0.00 H new ATOM 68 N ARG A 5 5.731 -9.533 0.556 1.00 0.00 N ATOM 69 CA ARG A 5 6.795 -8.544 0.433 1.00 0.00 C ATOM 70 C ARG A 5 7.494 -8.669 -0.909 1.00 0.00 C ATOM 71 O ARG A 5 7.443 -7.752 -1.728 1.00 0.00 O ATOM 72 CB ARG A 5 7.804 -8.692 1.573 1.00 0.00 C ATOM 73 CG ARG A 5 7.552 -7.747 2.735 1.00 0.00 C ATOM 74 CD ARG A 5 8.420 -8.094 3.934 1.00 0.00 C ATOM 75 NE ARG A 5 7.737 -7.833 5.198 1.00 0.00 N ATOM 76 CZ ARG A 5 8.237 -8.156 6.388 1.00 0.00 C ATOM 77 NH1 ARG A 5 9.420 -8.751 6.474 1.00 0.00 N ATOM 78 NH2 ARG A 5 7.555 -7.884 7.492 1.00 0.00 N ATOM 0 H ARG A 5 5.778 -10.106 1.399 1.00 0.00 H new ATOM 0 HA ARG A 5 6.344 -7.554 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.779 -9.719 1.938 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.807 -8.517 1.184 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.754 -6.723 2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 5 6.501 -7.792 3.020 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.702 -9.146 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.342 -7.514 3.894 1.00 0.00 H new ATOM 0 HE ARG A 5 6.825 -7.377 5.167 1.00 0.00 H new ATOM 0 HH11 ARG A 5 9.948 -8.962 5.627 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.802 -8.998 7.387 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.645 -7.426 7.430 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.940 -8.132 8.403 1.00 0.00 H new ATOM 92 N CYS A 6 8.139 -9.802 -1.140 1.00 0.00 N ATOM 93 CA CYS A 6 8.830 -10.015 -2.398 1.00 0.00 C ATOM 94 C CYS A 6 7.867 -10.500 -3.465 1.00 0.00 C ATOM 95 O CYS A 6 8.004 -10.142 -4.629 1.00 0.00 O ATOM 96 CB CYS A 6 9.974 -11.003 -2.239 1.00 0.00 C ATOM 97 SG CYS A 6 10.844 -10.886 -0.644 1.00 0.00 S ATOM 0 H CYS A 6 8.197 -10.578 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 6 9.247 -9.057 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.585 -12.014 -2.354 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.691 -10.844 -3.044 1.00 0.00 H new ATOM 102 N GLU A 7 6.883 -11.306 -3.069 1.00 0.00 N ATOM 103 CA GLU A 7 5.901 -11.803 -4.021 1.00 0.00 C ATOM 104 C GLU A 7 5.416 -10.642 -4.869 1.00 0.00 C ATOM 105 O GLU A 7 5.458 -10.686 -6.102 1.00 0.00 O ATOM 106 CB GLU A 7 4.726 -12.464 -3.297 1.00 0.00 C ATOM 107 CG GLU A 7 5.138 -13.619 -2.398 1.00 0.00 C ATOM 108 CD GLU A 7 3.995 -14.125 -1.539 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.025 -14.673 -2.105 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.069 -13.974 -0.302 1.00 0.00 O ATOM 0 H GLU A 7 6.748 -11.623 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 7 6.363 -12.558 -4.657 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.211 -11.714 -2.697 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.012 -12.827 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.515 -14.436 -3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.958 -13.299 -1.754 1.00 0.00 H new ATOM 117 N LEU A 8 4.993 -9.584 -4.191 1.00 0.00 N ATOM 118 CA LEU A 8 4.540 -8.392 -4.874 1.00 0.00 C ATOM 119 C LEU A 8 5.694 -7.762 -5.636 1.00 0.00 C ATOM 120 O LEU A 8 5.514 -7.339 -6.771 1.00 0.00 O ATOM 121 CB LEU A 8 3.961 -7.366 -3.895 1.00 0.00 C ATOM 122 CG LEU A 8 4.035 -5.911 -4.379 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.677 -5.428 -4.860 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.569 -5.001 -3.282 1.00 0.00 C ATOM 0 H LEU A 8 4.956 -9.532 -3.173 1.00 0.00 H new ATOM 0 HA LEU A 8 3.752 -8.688 -5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.919 -7.618 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.492 -7.448 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 8 4.727 -5.874 -5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.757 -4.395 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.340 -6.054 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.959 -5.488 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.612 -3.976 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.909 -5.049 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.569 -5.326 -2.994 1.00 0.00 H new ATOM 136 N ALA A 9 6.883 -7.708 -5.019 1.00 0.00 N ATOM 137 CA ALA A 9 8.041 -7.113 -5.678 1.00 0.00 C ATOM 138 C ALA A 9 8.310 -7.766 -7.024 1.00 0.00 C ATOM 139 O ALA A 9 8.408 -7.080 -8.038 1.00 0.00 O ATOM 140 CB ALA A 9 9.269 -7.194 -4.791 1.00 0.00 C ATOM 0 H ALA A 9 7.061 -8.064 -4.080 1.00 0.00 H new ATOM 0 HA ALA A 9 7.813 -6.062 -5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.119 -6.744 -5.304 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.082 -6.658 -3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.490 -8.238 -4.570 1.00 0.00 H new ATOM 146 N ALA A 10 8.415 -9.092 -7.036 1.00 0.00 N ATOM 147 CA ALA A 10 8.654 -9.818 -8.272 1.00 0.00 C ATOM 148 C ALA A 10 7.654 -9.376 -9.325 1.00 0.00 C ATOM 149 O ALA A 10 8.006 -9.171 -10.488 1.00 0.00 O ATOM 150 CB ALA A 10 8.557 -11.318 -8.036 1.00 0.00 C ATOM 0 H ALA A 10 8.338 -9.680 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 10 9.661 -9.597 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.739 -11.846 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.301 -11.619 -7.299 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.561 -11.565 -7.668 1.00 0.00 H new ATOM 156 N ALA A 11 6.402 -9.213 -8.904 1.00 0.00 N ATOM 157 CA ALA A 11 5.354 -8.775 -9.812 1.00 0.00 C ATOM 158 C ALA A 11 5.596 -7.348 -10.263 1.00 0.00 C ATOM 159 O ALA A 11 5.382 -6.996 -11.422 1.00 0.00 O ATOM 160 CB ALA A 11 3.985 -8.913 -9.162 1.00 0.00 C ATOM 0 H ALA A 11 6.093 -9.377 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 11 5.377 -9.417 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.216 -8.580 -9.859 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.810 -9.957 -8.900 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.947 -8.302 -8.260 1.00 0.00 H new ATOM 166 N MET A 12 6.045 -6.546 -9.327 1.00 0.00 N ATOM 167 CA MET A 12 6.339 -5.137 -9.583 1.00 0.00 C ATOM 168 C MET A 12 7.434 -5.001 -10.629 1.00 0.00 C ATOM 169 O MET A 12 7.293 -4.252 -11.596 1.00 0.00 O ATOM 170 CB MET A 12 6.774 -4.433 -8.300 1.00 0.00 C ATOM 171 CG MET A 12 5.867 -4.706 -7.113 1.00 0.00 C ATOM 172 SD MET A 12 4.699 -3.373 -6.799 1.00 0.00 S ATOM 173 CE MET A 12 5.804 -1.969 -6.784 1.00 0.00 C ATOM 0 H MET A 12 6.220 -6.841 -8.366 1.00 0.00 H new ATOM 0 HA MET A 12 5.428 -4.669 -9.954 1.00 0.00 H new ATOM 0 HB2 MET A 12 7.788 -4.747 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 12 6.808 -3.358 -8.480 1.00 0.00 H new ATOM 0 HG2 MET A 12 5.316 -5.630 -7.289 1.00 0.00 H new ATOM 0 HG3 MET A 12 6.478 -4.863 -6.224 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.233 -1.059 -6.600 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.545 -2.098 -5.995 1.00 0.00 H new ATOM 0 HE3 MET A 12 6.308 -1.893 -7.747 1.00 0.00 H new ATOM 183 N LYS A 13 8.523 -5.741 -10.434 1.00 0.00 N ATOM 184 CA LYS A 13 9.638 -5.713 -11.368 1.00 0.00 C ATOM 185 C LYS A 13 9.125 -5.993 -12.767 1.00 0.00 C ATOM 186 O LYS A 13 9.500 -5.323 -13.730 1.00 0.00 O ATOM 187 CB LYS A 13 10.697 -6.746 -10.975 1.00 0.00 C ATOM 188 CG LYS A 13 12.055 -6.494 -11.605 1.00 0.00 C ATOM 189 CD LYS A 13 12.792 -7.795 -11.879 1.00 0.00 C ATOM 190 CE LYS A 13 14.285 -7.653 -11.629 1.00 0.00 C ATOM 191 NZ LYS A 13 15.068 -8.711 -12.324 1.00 0.00 N ATOM 0 H LYS A 13 8.654 -6.365 -9.638 1.00 0.00 H new ATOM 0 HA LYS A 13 10.101 -4.727 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.804 -6.750 -9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.350 -7.738 -11.264 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.928 -5.943 -12.537 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.654 -5.868 -10.943 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.389 -8.583 -11.243 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.622 -8.100 -12.912 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.618 -6.672 -11.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.480 -7.702 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.081 -8.579 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.768 -9.646 -11.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.903 -8.649 -13.349 1.00 0.00 H new ATOM 205 N ARG A 14 8.245 -6.982 -12.863 1.00 0.00 N ATOM 206 CA ARG A 14 7.653 -7.349 -14.135 1.00 0.00 C ATOM 207 C ARG A 14 6.784 -6.207 -14.635 1.00 0.00 C ATOM 208 O ARG A 14 6.720 -5.942 -15.836 1.00 0.00 O ATOM 209 CB ARG A 14 6.820 -8.624 -13.993 1.00 0.00 C ATOM 210 CG ARG A 14 7.073 -9.641 -15.095 1.00 0.00 C ATOM 211 CD ARG A 14 7.134 -11.056 -14.542 1.00 0.00 C ATOM 212 NE ARG A 14 5.813 -11.674 -14.473 1.00 0.00 N ATOM 213 CZ ARG A 14 5.493 -12.636 -13.612 1.00 0.00 C ATOM 214 NH1 ARG A 14 6.395 -13.086 -12.750 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.268 -13.145 -13.611 1.00 0.00 N ATOM 0 H ARG A 14 7.928 -7.542 -12.072 1.00 0.00 H new ATOM 0 HA ARG A 14 8.449 -7.541 -14.855 1.00 0.00 H new ATOM 0 HB2 ARG A 14 7.036 -9.084 -13.029 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.763 -8.359 -13.990 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.282 -9.575 -15.842 1.00 0.00 H new ATOM 0 HG3 ARG A 14 8.009 -9.406 -15.601 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.786 -11.663 -15.170 1.00 0.00 H new ATOM 0 HD3 ARG A 14 7.578 -11.037 -13.547 1.00 0.00 H new ATOM 0 HE ARG A 14 5.095 -11.350 -15.121 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.337 -12.694 -12.746 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.147 -13.824 -12.091 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.571 -12.799 -14.271 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.023 -13.883 -12.951 1.00 0.00 H new ATOM 229 N HIS A 15 6.092 -5.549 -13.707 1.00 0.00 N ATOM 230 CA HIS A 15 5.200 -4.454 -14.048 1.00 0.00 C ATOM 231 C HIS A 15 5.968 -3.177 -14.361 1.00 0.00 C ATOM 232 O HIS A 15 5.384 -2.210 -14.852 1.00 0.00 O ATOM 233 CB HIS A 15 4.235 -4.193 -12.892 1.00 0.00 C ATOM 234 CG HIS A 15 3.159 -5.223 -12.752 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.162 -5.137 -11.803 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.923 -6.366 -13.440 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.361 -6.180 -11.912 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.800 -6.941 -12.898 1.00 0.00 N ATOM 0 H HIS A 15 6.136 -5.760 -12.710 1.00 0.00 H new ATOM 0 HA HIS A 15 4.647 -4.745 -14.941 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.802 -4.147 -11.962 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.772 -3.216 -13.032 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.509 -6.753 -14.261 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.494 -6.378 -11.299 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.374 -7.815 -13.207 1.00 0.00 H new ATOM 247 N GLY A 16 7.280 -3.176 -14.131 1.00 0.00 N ATOM 248 CA GLY A 16 8.077 -2.014 -14.462 1.00 0.00 C ATOM 249 C GLY A 16 8.115 -0.927 -13.404 1.00 0.00 C ATOM 250 O GLY A 16 8.407 0.222 -13.736 1.00 0.00 O ATOM 0 H GLY A 16 7.799 -3.955 -13.724 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.098 -2.340 -14.661 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.694 -1.583 -15.387 1.00 0.00 H new ATOM 254 N LEU A 17 7.838 -1.239 -12.135 1.00 0.00 N ATOM 255 CA LEU A 17 7.878 -0.194 -11.121 1.00 0.00 C ATOM 256 C LEU A 17 9.309 0.067 -10.690 1.00 0.00 C ATOM 257 O LEU A 17 9.600 1.033 -9.990 1.00 0.00 O ATOM 258 CB LEU A 17 7.007 -0.538 -9.907 1.00 0.00 C ATOM 259 CG LEU A 17 5.670 -1.240 -10.192 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.578 -0.685 -9.292 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.243 -1.101 -11.650 1.00 0.00 C ATOM 0 H LEU A 17 7.593 -2.170 -11.798 1.00 0.00 H new ATOM 0 HA LEU A 17 7.469 0.712 -11.568 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.589 -1.174 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.798 0.385 -9.366 1.00 0.00 H new ATOM 0 HG LEU A 17 5.819 -2.300 -9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.637 -1.192 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.849 -0.848 -8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.464 0.383 -9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.293 -1.613 -11.801 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.129 -0.045 -11.897 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.001 -1.545 -12.295 1.00 0.00 H new ATOM 273 N ASP A 18 10.198 -0.791 -11.144 1.00 0.00 N ATOM 274 CA ASP A 18 11.617 -0.658 -10.838 1.00 0.00 C ATOM 275 C ASP A 18 12.225 0.443 -11.697 1.00 0.00 C ATOM 276 O ASP A 18 12.672 0.191 -12.817 1.00 0.00 O ATOM 277 CB ASP A 18 12.346 -1.984 -11.075 1.00 0.00 C ATOM 278 CG ASP A 18 13.854 -1.828 -11.053 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.388 -1.360 -10.025 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.501 -2.174 -12.064 1.00 0.00 O ATOM 0 H ASP A 18 9.967 -1.594 -11.730 1.00 0.00 H new ATOM 0 HA ASP A 18 11.728 -0.393 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.047 -2.701 -10.311 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.040 -2.396 -12.037 1.00 0.00 H new ATOM 285 N ASN A 19 12.188 1.670 -11.171 1.00 0.00 N ATOM 286 CA ASN A 19 12.687 2.854 -11.876 1.00 0.00 C ATOM 287 C ASN A 19 11.597 3.400 -12.792 1.00 0.00 C ATOM 288 O ASN A 19 11.858 3.821 -13.919 1.00 0.00 O ATOM 289 CB ASN A 19 13.957 2.544 -12.678 1.00 0.00 C ATOM 290 CG ASN A 19 15.061 1.968 -11.814 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.314 2.448 -10.709 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.726 0.934 -12.315 1.00 0.00 N ATOM 0 H ASN A 19 11.811 1.871 -10.245 1.00 0.00 H new ATOM 0 HA ASN A 19 12.950 3.607 -11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.717 1.839 -13.474 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.313 3.456 -13.157 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.481 0.505 -11.779 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.482 0.569 -13.236 1.00 0.00 H new ATOM 299 N TYR A 20 10.363 3.372 -12.288 1.00 0.00 N ATOM 300 CA TYR A 20 9.206 3.847 -13.046 1.00 0.00 C ATOM 301 C TYR A 20 8.977 5.328 -12.801 1.00 0.00 C ATOM 302 O TYR A 20 8.847 5.763 -11.656 1.00 0.00 O ATOM 303 CB TYR A 20 7.954 3.054 -12.676 1.00 0.00 C ATOM 304 CG TYR A 20 6.837 3.193 -13.685 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.888 2.525 -14.902 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.735 3.996 -13.424 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.871 2.652 -15.829 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.714 4.128 -14.345 1.00 0.00 C ATOM 309 CZ TYR A 20 4.787 3.454 -15.546 1.00 0.00 C ATOM 310 OH TYR A 20 3.772 3.584 -16.467 1.00 0.00 O ATOM 0 H TYR A 20 10.139 3.024 -11.356 1.00 0.00 H new ATOM 0 HA TYR A 20 9.412 3.696 -14.106 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.216 2.001 -12.577 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.597 3.386 -11.701 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.737 1.896 -15.127 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.675 4.526 -12.485 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.926 2.125 -16.770 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.863 4.756 -14.126 1.00 0.00 H new ATOM 0 HH TYR A 20 4.136 3.483 -17.371 1.00 0.00 H new ATOM 320 N ARG A 21 8.955 6.106 -13.879 1.00 0.00 N ATOM 321 CA ARG A 21 8.780 7.547 -13.768 1.00 0.00 C ATOM 322 C ARG A 21 9.914 8.109 -12.927 1.00 0.00 C ATOM 323 O ARG A 21 9.853 9.231 -12.423 1.00 0.00 O ATOM 324 CB ARG A 21 7.424 7.890 -13.148 1.00 0.00 C ATOM 325 CG ARG A 21 6.366 8.250 -14.177 1.00 0.00 C ATOM 326 CD ARG A 21 6.698 9.555 -14.886 1.00 0.00 C ATOM 327 NE ARG A 21 7.498 9.338 -16.087 1.00 0.00 N ATOM 328 CZ ARG A 21 8.330 10.242 -16.593 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.472 11.422 -16.004 1.00 0.00 N ATOM 330 NH2 ARG A 21 9.024 9.967 -17.690 1.00 0.00 N ATOM 0 H ARG A 21 9.056 5.763 -14.834 1.00 0.00 H new ATOM 0 HA ARG A 21 8.802 7.993 -14.762 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.075 7.040 -12.561 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.549 8.725 -12.458 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.282 7.448 -14.910 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.396 8.337 -13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.774 10.067 -15.154 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.239 10.210 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 21 7.414 8.441 -16.565 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.942 11.638 -15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.112 12.114 -16.395 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.919 9.061 -18.146 1.00 0.00 H new ATOM 0 HH22 ARG A 21 9.662 10.662 -18.077 1.00 0.00 H new ATOM 344 N GLY A 22 10.958 7.297 -12.809 1.00 0.00 N ATOM 345 CA GLY A 22 12.132 7.679 -12.059 1.00 0.00 C ATOM 346 C GLY A 22 12.171 7.116 -10.650 1.00 0.00 C ATOM 347 O GLY A 22 13.075 7.456 -9.886 1.00 0.00 O ATOM 0 H GLY A 22 11.008 6.368 -13.227 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.019 7.346 -12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.180 8.767 -12.007 1.00 0.00 H new ATOM 351 N TYR A 23 11.213 6.258 -10.277 1.00 0.00 N ATOM 352 CA TYR A 23 11.229 5.702 -8.933 1.00 0.00 C ATOM 353 C TYR A 23 11.551 4.216 -8.933 1.00 0.00 C ATOM 354 O TYR A 23 10.926 3.428 -9.636 1.00 0.00 O ATOM 355 CB TYR A 23 9.911 5.986 -8.219 1.00 0.00 C ATOM 356 CG TYR A 23 9.928 7.304 -7.479 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.857 7.543 -6.471 1.00 0.00 C ATOM 358 CD2 TYR A 23 9.028 8.315 -7.793 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.885 8.748 -5.797 1.00 0.00 C ATOM 360 CE2 TYR A 23 9.050 9.523 -7.122 1.00 0.00 C ATOM 361 CZ TYR A 23 9.980 9.735 -6.126 1.00 0.00 C ATOM 362 OH TYR A 23 10.005 10.937 -5.457 1.00 0.00 O ATOM 0 H TYR A 23 10.444 5.946 -10.870 1.00 0.00 H new ATOM 0 HA TYR A 23 12.030 6.196 -8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.100 5.992 -8.948 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.701 5.180 -7.516 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.568 6.773 -6.211 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.300 8.154 -8.574 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.612 8.916 -5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.342 10.298 -7.377 1.00 0.00 H new ATOM 0 HH TYR A 23 9.099 11.309 -5.419 1.00 0.00 H new ATOM 372 N SER A 24 12.552 3.851 -8.133 1.00 0.00 N ATOM 373 CA SER A 24 12.991 2.470 -8.025 1.00 0.00 C ATOM 374 C SER A 24 12.005 1.644 -7.212 1.00 0.00 C ATOM 375 O SER A 24 11.208 2.182 -6.444 1.00 0.00 O ATOM 376 CB SER A 24 14.379 2.402 -7.385 1.00 0.00 C ATOM 377 OG SER A 24 14.334 2.799 -6.026 1.00 0.00 O ATOM 0 H SER A 24 13.075 4.502 -7.548 1.00 0.00 H new ATOM 0 HA SER A 24 13.040 2.054 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.767 1.386 -7.458 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.067 3.046 -7.933 1.00 0.00 H new ATOM 0 HG SER A 24 15.233 2.746 -5.640 1.00 0.00 H new ATOM 383 N LEU A 25 12.075 0.335 -7.400 1.00 0.00 N ATOM 384 CA LEU A 25 11.204 -0.611 -6.711 1.00 0.00 C ATOM 385 C LEU A 25 11.030 -0.270 -5.230 1.00 0.00 C ATOM 386 O LEU A 25 9.905 -0.147 -4.746 1.00 0.00 O ATOM 387 CB LEU A 25 11.771 -2.021 -6.855 1.00 0.00 C ATOM 388 CG LEU A 25 11.075 -2.891 -7.897 1.00 0.00 C ATOM 389 CD1 LEU A 25 11.939 -4.090 -8.254 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.716 -3.341 -7.387 1.00 0.00 C ATOM 0 H LEU A 25 12.739 -0.105 -8.037 1.00 0.00 H new ATOM 0 HA LEU A 25 10.219 -0.551 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.828 -1.947 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.712 -2.521 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 25 10.925 -2.299 -8.800 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.426 -4.699 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.890 -3.745 -8.660 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.121 -4.687 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.231 -3.961 -8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.844 -3.918 -6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.097 -2.468 -7.183 1.00 0.00 H new ATOM 402 N GLY A 26 12.144 -0.148 -4.513 1.00 0.00 N ATOM 403 CA GLY A 26 12.097 0.149 -3.088 1.00 0.00 C ATOM 404 C GLY A 26 11.103 1.237 -2.718 1.00 0.00 C ATOM 405 O GLY A 26 10.426 1.138 -1.694 1.00 0.00 O ATOM 0 H GLY A 26 13.084 -0.250 -4.895 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.843 -0.761 -2.545 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.091 0.451 -2.757 1.00 0.00 H new ATOM 409 N ASN A 27 11.019 2.278 -3.538 1.00 0.00 N ATOM 410 CA ASN A 27 10.106 3.388 -3.271 1.00 0.00 C ATOM 411 C ASN A 27 8.647 2.948 -3.380 1.00 0.00 C ATOM 412 O ASN A 27 7.778 3.461 -2.674 1.00 0.00 O ATOM 413 CB ASN A 27 10.376 4.540 -4.239 1.00 0.00 C ATOM 414 CG ASN A 27 11.744 5.159 -4.034 1.00 0.00 C ATOM 415 OD1 ASN A 27 11.861 6.306 -3.604 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.789 4.401 -4.344 1.00 0.00 N ATOM 0 H ASN A 27 11.569 2.379 -4.391 1.00 0.00 H new ATOM 0 HA ASN A 27 10.283 3.726 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.295 4.177 -5.263 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.611 5.306 -4.111 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.735 4.765 -4.229 1.00 0.00 H new ATOM 0 HD22 ASN A 27 12.646 3.455 -4.698 1.00 0.00 H new ATOM 423 N TRP A 28 8.390 1.998 -4.270 1.00 0.00 N ATOM 424 CA TRP A 28 7.042 1.483 -4.483 1.00 0.00 C ATOM 425 C TRP A 28 6.640 0.504 -3.393 1.00 0.00 C ATOM 426 O TRP A 28 5.467 0.424 -3.029 1.00 0.00 O ATOM 427 CB TRP A 28 6.949 0.828 -5.854 1.00 0.00 C ATOM 428 CG TRP A 28 7.341 1.767 -6.941 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.573 1.898 -7.492 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.503 2.726 -7.587 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.563 2.887 -8.440 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.302 3.412 -8.522 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.155 3.067 -7.465 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.804 4.428 -9.332 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.647 4.070 -8.265 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.470 4.746 -9.192 1.00 0.00 C ATOM 0 H TRP A 28 9.101 1.566 -4.859 1.00 0.00 H new ATOM 0 HA TRP A 28 6.347 2.321 -4.440 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.594 -0.050 -5.882 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.930 0.481 -6.023 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.437 1.308 -7.223 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.366 3.184 -8.995 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.521 2.555 -6.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.435 4.945 -10.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.605 4.342 -8.181 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.046 5.528 -9.804 1.00 0.00 H new ATOM 447 N VAL A 29 7.607 -0.239 -2.866 1.00 0.00 N ATOM 448 CA VAL A 29 7.326 -1.202 -1.814 1.00 0.00 C ATOM 449 C VAL A 29 7.036 -0.495 -0.499 1.00 0.00 C ATOM 450 O VAL A 29 6.042 -0.784 0.163 1.00 0.00 O ATOM 451 CB VAL A 29 8.504 -2.176 -1.621 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.246 -3.116 -0.452 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.760 -2.959 -2.900 1.00 0.00 C ATOM 0 H VAL A 29 8.586 -0.192 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 29 6.447 -1.769 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 29 9.396 -1.594 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.092 -3.794 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.119 -2.535 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.342 -3.694 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.595 -3.643 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.868 -3.528 -3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 29 9.000 -2.268 -3.708 1.00 0.00 H new ATOM 463 N CYS A 30 7.912 0.428 -0.124 1.00 0.00 N ATOM 464 CA CYS A 30 7.746 1.171 1.115 1.00 0.00 C ATOM 465 C CYS A 30 6.443 1.966 1.105 1.00 0.00 C ATOM 466 O CYS A 30 5.699 1.962 2.085 1.00 0.00 O ATOM 467 CB CYS A 30 8.930 2.111 1.336 1.00 0.00 C ATOM 468 SG CYS A 30 9.051 2.761 3.033 1.00 0.00 S ATOM 0 H CYS A 30 8.743 0.679 -0.660 1.00 0.00 H new ATOM 0 HA CYS A 30 7.705 0.453 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.851 1.582 1.094 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.851 2.948 0.642 1.00 0.00 H new ATOM 473 N ALA A 31 6.172 2.650 -0.005 1.00 0.00 N ATOM 474 CA ALA A 31 4.960 3.449 -0.130 1.00 0.00 C ATOM 475 C ALA A 31 3.715 2.581 -0.016 1.00 0.00 C ATOM 476 O ALA A 31 2.771 2.927 0.692 1.00 0.00 O ATOM 477 CB ALA A 31 4.957 4.198 -1.454 1.00 0.00 C ATOM 0 H ALA A 31 6.775 2.666 -0.827 1.00 0.00 H new ATOM 0 HA ALA A 31 4.946 4.170 0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.046 4.791 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.824 4.857 -1.501 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.999 3.484 -2.276 1.00 0.00 H new ATOM 483 N ALA A 32 3.719 1.455 -0.720 1.00 0.00 N ATOM 484 CA ALA A 32 2.587 0.538 -0.704 1.00 0.00 C ATOM 485 C ALA A 32 2.425 -0.127 0.659 1.00 0.00 C ATOM 486 O ALA A 32 1.309 -0.269 1.158 1.00 0.00 O ATOM 487 CB ALA A 32 2.749 -0.513 -1.792 1.00 0.00 C ATOM 0 H ALA A 32 4.495 1.155 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 32 1.684 1.116 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.897 -1.193 -1.771 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.799 -0.025 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.667 -1.076 -1.621 1.00 0.00 H new ATOM 493 N LYS A 33 3.541 -0.547 1.250 1.00 0.00 N ATOM 494 CA LYS A 33 3.525 -1.211 2.549 1.00 0.00 C ATOM 495 C LYS A 33 2.743 -0.413 3.585 1.00 0.00 C ATOM 496 O LYS A 33 1.822 -0.928 4.208 1.00 0.00 O ATOM 497 CB LYS A 33 4.954 -1.431 3.046 1.00 0.00 C ATOM 498 CG LYS A 33 5.047 -2.364 4.242 1.00 0.00 C ATOM 499 CD LYS A 33 5.457 -1.617 5.501 1.00 0.00 C ATOM 500 CE LYS A 33 6.197 -2.523 6.471 1.00 0.00 C ATOM 501 NZ LYS A 33 6.472 -1.844 7.767 1.00 0.00 N ATOM 0 H LYS A 33 4.472 -0.438 0.847 1.00 0.00 H new ATOM 0 HA LYS A 33 3.027 -2.172 2.417 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.554 -1.837 2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.389 -0.468 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.084 -2.848 4.403 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.770 -3.153 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.092 -0.773 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.571 -1.208 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.607 -3.422 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.137 -2.844 6.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.490 -1.644 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.939 -0.952 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.180 -2.461 8.551 1.00 0.00 H new ATOM 515 N PHE A 34 3.127 0.835 3.790 1.00 0.00 N ATOM 516 CA PHE A 34 2.455 1.665 4.778 1.00 0.00 C ATOM 517 C PHE A 34 1.106 2.162 4.288 1.00 0.00 C ATOM 518 O PHE A 34 0.218 2.453 5.089 1.00 0.00 O ATOM 519 CB PHE A 34 3.338 2.825 5.189 1.00 0.00 C ATOM 520 CG PHE A 34 4.206 2.528 6.378 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.713 2.668 7.665 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.513 2.103 6.208 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.508 2.392 8.761 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.314 1.826 7.300 1.00 0.00 C ATOM 525 CZ PHE A 34 5.810 1.970 8.578 1.00 0.00 C ATOM 0 H PHE A 34 3.891 1.293 3.293 1.00 0.00 H new ATOM 0 HA PHE A 34 2.268 1.040 5.651 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.972 3.104 4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.710 3.687 5.414 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.695 2.997 7.814 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.911 1.987 5.211 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.112 2.506 9.759 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.332 1.497 7.154 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.433 1.753 9.433 1.00 0.00 H new ATOM 535 N GLU A 35 0.951 2.265 2.977 1.00 0.00 N ATOM 536 CA GLU A 35 -0.296 2.733 2.394 1.00 0.00 C ATOM 537 C GLU A 35 -1.445 1.772 2.673 1.00 0.00 C ATOM 538 O GLU A 35 -2.500 2.173 3.164 1.00 0.00 O ATOM 539 CB GLU A 35 -0.129 2.888 0.883 1.00 0.00 C ATOM 540 CG GLU A 35 -0.022 4.331 0.421 1.00 0.00 C ATOM 541 CD GLU A 35 0.605 4.453 -0.953 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.102 4.201 -1.952 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.803 4.797 -1.032 1.00 0.00 O ATOM 0 H GLU A 35 1.674 2.031 2.297 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.536 3.693 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.765 2.349 0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.977 2.419 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.016 4.779 0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.571 4.897 1.140 1.00 0.00 H new ATOM 550 N SER A 36 -1.249 0.513 2.301 1.00 0.00 N ATOM 551 CA SER A 36 -2.294 -0.497 2.454 1.00 0.00 C ATOM 552 C SER A 36 -1.776 -1.794 3.065 1.00 0.00 C ATOM 553 O SER A 36 -2.523 -2.766 3.180 1.00 0.00 O ATOM 554 CB SER A 36 -2.899 -0.797 1.081 1.00 0.00 C ATOM 555 OG SER A 36 -1.886 -1.102 0.140 1.00 0.00 O ATOM 0 H SER A 36 -0.381 0.166 1.893 1.00 0.00 H new ATOM 0 HA SER A 36 -3.042 -0.093 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.592 -1.634 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.474 0.062 0.737 1.00 0.00 H new ATOM 0 HG SER A 36 -1.669 -0.300 -0.379 1.00 0.00 H new ATOM 561 N ASN A 37 -0.501 -1.824 3.432 1.00 0.00 N ATOM 562 CA ASN A 37 0.089 -3.031 4.002 1.00 0.00 C ATOM 563 C ASN A 37 0.011 -4.161 2.985 1.00 0.00 C ATOM 564 O ASN A 37 -0.044 -5.331 3.344 1.00 0.00 O ATOM 565 CB ASN A 37 -0.627 -3.429 5.296 1.00 0.00 C ATOM 566 CG ASN A 37 0.047 -2.858 6.528 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.265 -2.948 6.681 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.745 -2.267 7.416 1.00 0.00 N ATOM 0 H ASN A 37 0.140 -1.035 3.347 1.00 0.00 H new ATOM 0 HA ASN A 37 1.133 -2.833 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.660 -3.084 5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.657 -4.516 5.372 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -0.348 -1.865 8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.750 -2.215 7.248 1.00 0.00 H new ATOM 575 N PHE A 38 0.010 -3.770 1.712 1.00 0.00 N ATOM 576 CA PHE A 38 -0.060 -4.683 0.582 1.00 0.00 C ATOM 577 C PHE A 38 -1.409 -5.380 0.521 1.00 0.00 C ATOM 578 O PHE A 38 -1.546 -6.429 -0.096 1.00 0.00 O ATOM 579 CB PHE A 38 1.090 -5.694 0.616 1.00 0.00 C ATOM 580 CG PHE A 38 2.442 -5.039 0.649 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.777 -4.071 -0.285 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.374 -5.385 1.613 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.014 -3.460 -0.259 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.615 -4.777 1.645 1.00 0.00 C ATOM 585 CZ PHE A 38 4.935 -3.813 0.707 1.00 0.00 C ATOM 0 H PHE A 38 0.059 -2.789 1.436 1.00 0.00 H new ATOM 0 HA PHE A 38 0.046 -4.094 -0.329 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.980 -6.333 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 38 1.026 -6.340 -0.260 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.060 -3.791 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.129 -6.138 2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.261 -2.707 -0.993 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.334 -5.055 2.402 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.904 -3.337 0.730 1.00 0.00 H new ATOM 595 N ASN A 39 -2.419 -4.772 1.134 1.00 0.00 N ATOM 596 CA ASN A 39 -3.760 -5.337 1.113 1.00 0.00 C ATOM 597 C ASN A 39 -4.428 -5.009 -0.212 1.00 0.00 C ATOM 598 O ASN A 39 -4.665 -3.845 -0.534 1.00 0.00 O ATOM 599 CB ASN A 39 -4.588 -4.813 2.286 1.00 0.00 C ATOM 600 CG ASN A 39 -5.976 -5.422 2.335 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.256 -6.416 1.666 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.855 -4.827 3.133 1.00 0.00 N ATOM 0 H ASN A 39 -2.334 -3.895 1.647 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.692 -6.420 1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.067 -5.028 3.219 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.673 -3.729 2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.804 -5.192 3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.581 -4.005 3.670 1.00 0.00 H new ATOM 609 N THR A 40 -4.684 -6.046 -0.992 1.00 0.00 N ATOM 610 CA THR A 40 -5.274 -5.893 -2.309 1.00 0.00 C ATOM 611 C THR A 40 -6.675 -5.333 -2.198 1.00 0.00 C ATOM 612 O THR A 40 -7.247 -4.841 -3.169 1.00 0.00 O ATOM 613 CB THR A 40 -5.328 -7.245 -3.047 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.584 -7.889 -2.804 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.205 -8.160 -2.590 1.00 0.00 C ATOM 0 H THR A 40 -4.489 -7.013 -0.731 1.00 0.00 H new ATOM 0 HA THR A 40 -4.649 -5.202 -2.875 1.00 0.00 H new ATOM 0 HB THR A 40 -5.213 -7.049 -4.113 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.153 -7.806 -3.597 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.266 -9.107 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.244 -7.688 -2.796 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.297 -8.343 -1.519 1.00 0.00 H new ATOM 623 N GLN A 41 -7.225 -5.446 -1.005 1.00 0.00 N ATOM 624 CA GLN A 41 -8.570 -4.993 -0.729 1.00 0.00 C ATOM 625 C GLN A 41 -8.599 -3.800 0.228 1.00 0.00 C ATOM 626 O GLN A 41 -9.672 -3.360 0.644 1.00 0.00 O ATOM 627 CB GLN A 41 -9.345 -6.161 -0.135 1.00 0.00 C ATOM 628 CG GLN A 41 -10.102 -6.985 -1.163 1.00 0.00 C ATOM 629 CD GLN A 41 -11.488 -6.439 -1.442 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.706 -5.227 -1.430 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.437 -7.334 -1.694 1.00 0.00 N ATOM 0 H GLN A 41 -6.750 -5.855 -0.200 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.024 -4.654 -1.660 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.651 -6.811 0.398 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.052 -5.778 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.533 -7.012 -2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.185 -8.013 -0.810 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.213 -8.329 -1.694 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.390 -7.026 -1.888 1.00 0.00 H new ATOM 640 N ALA A 42 -7.426 -3.296 0.595 1.00 0.00 N ATOM 641 CA ALA A 42 -7.331 -2.172 1.525 1.00 0.00 C ATOM 642 C ALA A 42 -7.987 -0.902 0.996 1.00 0.00 C ATOM 643 O ALA A 42 -7.654 -0.408 -0.086 1.00 0.00 O ATOM 644 CB ALA A 42 -5.880 -1.888 1.866 1.00 0.00 C ATOM 0 H ALA A 42 -6.527 -3.646 0.264 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.876 -2.469 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.827 -1.049 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.436 -2.769 2.329 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.334 -1.642 0.955 1.00 0.00 H new ATOM 650 N THR A 43 -8.904 -0.365 1.797 1.00 0.00 N ATOM 651 CA THR A 43 -9.610 0.864 1.469 1.00 0.00 C ATOM 652 C THR A 43 -9.405 1.881 2.590 1.00 0.00 C ATOM 653 O THR A 43 -9.541 1.543 3.767 1.00 0.00 O ATOM 654 CB THR A 43 -11.119 0.617 1.286 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.790 0.722 2.548 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.376 -0.758 0.686 1.00 0.00 C ATOM 0 H THR A 43 -9.176 -0.772 2.692 1.00 0.00 H new ATOM 0 HA THR A 43 -9.207 1.243 0.530 1.00 0.00 H new ATOM 0 HB THR A 43 -11.506 1.373 0.603 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.131 0.692 3.273 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.449 -0.908 0.567 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.890 -0.827 -0.287 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.974 -1.525 1.348 1.00 0.00 H new ATOM 664 N ASN A 44 -9.070 3.119 2.240 1.00 0.00 N ATOM 665 CA ASN A 44 -8.843 4.153 3.247 1.00 0.00 C ATOM 666 C ASN A 44 -9.747 5.359 3.016 1.00 0.00 C ATOM 667 O ASN A 44 -9.469 6.202 2.163 1.00 0.00 O ATOM 668 CB ASN A 44 -7.377 4.592 3.234 1.00 0.00 C ATOM 669 CG ASN A 44 -6.814 4.766 4.631 1.00 0.00 C ATOM 670 OD1 ASN A 44 -6.963 3.892 5.485 1.00 0.00 O ATOM 671 ND2 ASN A 44 -6.163 5.898 4.870 1.00 0.00 N ATOM 0 H ASN A 44 -8.950 3.430 1.276 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.084 3.728 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.784 3.853 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.287 5.532 2.689 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.762 6.071 5.792 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.064 6.595 4.132 1.00 0.00 H new ATOM 678 N ARG A 45 -10.830 5.436 3.783 1.00 0.00 N ATOM 679 CA ARG A 45 -11.779 6.538 3.663 1.00 0.00 C ATOM 680 C ARG A 45 -11.287 7.769 4.418 1.00 0.00 C ATOM 681 O ARG A 45 -10.970 7.698 5.605 1.00 0.00 O ATOM 682 CB ARG A 45 -13.153 6.118 4.187 1.00 0.00 C ATOM 683 CG ARG A 45 -13.105 5.439 5.547 1.00 0.00 C ATOM 684 CD ARG A 45 -14.153 6.007 6.490 1.00 0.00 C ATOM 685 NE ARG A 45 -15.169 5.018 6.839 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.123 4.269 7.937 1.00 0.00 C ATOM 687 NH1 ARG A 45 -14.115 4.397 8.790 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.086 3.391 8.183 1.00 0.00 N ATOM 0 H ARG A 45 -11.073 4.747 4.495 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.864 6.794 2.607 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.792 6.998 4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.615 5.441 3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.265 4.368 5.426 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.114 5.566 5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -13.668 6.364 7.398 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -14.631 6.869 6.024 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.958 4.895 6.205 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.372 5.071 8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.083 3.821 9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.863 3.290 7.530 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -16.050 2.817 9.025 1.00 0.00 H new ATOM 702 N ASN A 46 -11.229 8.898 3.718 1.00 0.00 N ATOM 703 CA ASN A 46 -10.779 10.150 4.318 1.00 0.00 C ATOM 704 C ASN A 46 -11.957 11.076 4.595 1.00 0.00 C ATOM 705 O ASN A 46 -13.099 10.767 4.251 1.00 0.00 O ATOM 706 CB ASN A 46 -9.772 10.847 3.402 1.00 0.00 C ATOM 707 CG ASN A 46 -8.854 9.868 2.698 1.00 0.00 C ATOM 708 OD1 ASN A 46 -9.229 9.260 1.694 1.00 0.00 O ATOM 709 ND2 ASN A 46 -7.644 9.709 3.220 1.00 0.00 N ATOM 0 H ASN A 46 -11.488 8.972 2.734 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.295 9.915 5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.309 11.436 2.658 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.174 11.544 3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.983 9.063 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.375 10.233 4.053 1.00 0.00 H new ATOM 716 N THR A 47 -11.670 12.210 5.221 1.00 0.00 N ATOM 717 CA THR A 47 -12.702 13.187 5.551 1.00 0.00 C ATOM 718 C THR A 47 -13.038 14.062 4.348 1.00 0.00 C ATOM 719 O THR A 47 -14.083 14.712 4.315 1.00 0.00 O ATOM 720 CB THR A 47 -12.268 14.090 6.720 1.00 0.00 C ATOM 721 OG1 THR A 47 -11.129 14.872 6.341 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.932 13.258 7.949 1.00 0.00 C ATOM 0 H THR A 47 -10.729 12.477 5.511 1.00 0.00 H new ATOM 0 HA THR A 47 -13.587 12.622 5.845 1.00 0.00 H new ATOM 0 HB THR A 47 -13.097 14.754 6.964 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.861 15.444 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.628 13.917 8.762 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.809 12.687 8.253 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.118 12.573 7.713 1.00 0.00 H new ATOM 730 N ASP A 48 -12.147 14.076 3.361 1.00 0.00 N ATOM 731 CA ASP A 48 -12.351 14.873 2.157 1.00 0.00 C ATOM 732 C ASP A 48 -13.422 14.251 1.264 1.00 0.00 C ATOM 733 O ASP A 48 -13.825 14.840 0.261 1.00 0.00 O ATOM 734 CB ASP A 48 -11.040 15.012 1.383 1.00 0.00 C ATOM 735 CG ASP A 48 -10.337 13.682 1.189 1.00 0.00 C ATOM 736 OD1 ASP A 48 -11.017 12.637 1.250 1.00 0.00 O ATOM 737 OD2 ASP A 48 -9.106 13.688 0.978 1.00 0.00 O ATOM 0 H ASP A 48 -11.277 13.544 3.372 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.691 15.863 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.242 15.458 0.409 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.378 15.695 1.915 1.00 0.00 H new ATOM 742 N GLY A 49 -13.878 13.061 1.639 1.00 0.00 N ATOM 743 CA GLY A 49 -14.901 12.380 0.865 1.00 0.00 C ATOM 744 C GLY A 49 -14.334 11.294 -0.029 1.00 0.00 C ATOM 745 O GLY A 49 -15.023 10.324 -0.349 1.00 0.00 O ATOM 0 H GLY A 49 -13.558 12.555 2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.632 11.941 1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.432 13.108 0.252 1.00 0.00 H new ATOM 749 N SER A 50 -13.078 11.454 -0.433 1.00 0.00 N ATOM 750 CA SER A 50 -12.427 10.474 -1.296 1.00 0.00 C ATOM 751 C SER A 50 -11.949 9.270 -0.489 1.00 0.00 C ATOM 752 O SER A 50 -12.051 9.252 0.738 1.00 0.00 O ATOM 753 CB SER A 50 -11.251 11.109 -2.039 1.00 0.00 C ATOM 754 OG SER A 50 -10.671 12.156 -1.282 1.00 0.00 O ATOM 0 H SER A 50 -12.492 12.249 -0.178 1.00 0.00 H new ATOM 0 HA SER A 50 -13.160 10.131 -2.027 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.498 10.349 -2.250 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.591 11.496 -2.999 1.00 0.00 H new ATOM 0 HG SER A 50 -10.662 11.908 -0.334 1.00 0.00 H new ATOM 760 N THR A 51 -11.442 8.259 -1.188 1.00 0.00 N ATOM 761 CA THR A 51 -10.965 7.044 -0.537 1.00 0.00 C ATOM 762 C THR A 51 -9.761 6.448 -1.263 1.00 0.00 C ATOM 763 O THR A 51 -9.456 6.823 -2.394 1.00 0.00 O ATOM 764 CB THR A 51 -12.082 5.987 -0.465 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.342 6.622 -0.214 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.801 4.963 0.624 1.00 0.00 C ATOM 0 H THR A 51 -11.351 8.257 -2.204 1.00 0.00 H new ATOM 0 HA THR A 51 -10.661 7.325 0.471 1.00 0.00 H new ATOM 0 HB THR A 51 -12.117 5.469 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.066 5.976 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.607 4.230 0.651 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.858 4.458 0.414 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.736 5.466 1.589 1.00 0.00 H new ATOM 774 N ASP A 52 -9.086 5.513 -0.599 1.00 0.00 N ATOM 775 CA ASP A 52 -7.916 4.846 -1.165 1.00 0.00 C ATOM 776 C ASP A 52 -8.185 3.364 -1.353 1.00 0.00 C ATOM 777 O ASP A 52 -7.862 2.547 -0.492 1.00 0.00 O ATOM 778 CB ASP A 52 -6.701 5.049 -0.259 1.00 0.00 C ATOM 779 CG ASP A 52 -6.327 6.511 -0.112 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.047 7.159 -1.143 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.314 7.008 1.034 1.00 0.00 O ATOM 0 H ASP A 52 -9.332 5.198 0.339 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.707 5.287 -2.140 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.911 4.630 0.725 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.852 4.499 -0.665 1.00 0.00 H new ATOM 786 N TYR A 53 -8.779 3.026 -2.491 1.00 0.00 N ATOM 787 CA TYR A 53 -9.088 1.642 -2.796 1.00 0.00 C ATOM 788 C TYR A 53 -7.991 1.009 -3.639 1.00 0.00 C ATOM 789 O TYR A 53 -8.105 0.946 -4.860 1.00 0.00 O ATOM 790 CB TYR A 53 -10.415 1.529 -3.554 1.00 0.00 C ATOM 791 CG TYR A 53 -11.604 2.155 -2.861 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.142 1.590 -1.713 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.201 3.301 -3.368 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.241 2.149 -1.089 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.298 3.868 -2.750 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.815 3.289 -1.611 1.00 0.00 C ATOM 797 OH TYR A 53 -14.908 3.849 -0.992 1.00 0.00 O ATOM 0 H TYR A 53 -9.054 3.692 -3.213 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.165 1.115 -1.845 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.298 1.995 -4.532 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.628 0.474 -3.727 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.694 0.698 -1.300 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.801 3.757 -4.261 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.648 1.696 -0.197 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.749 4.761 -3.157 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.190 4.647 -1.485 1.00 0.00 H new ATOM 807 N GLY A 54 -6.911 0.567 -3.014 1.00 0.00 N ATOM 808 CA GLY A 54 -5.841 -0.040 -3.784 1.00 0.00 C ATOM 809 C GLY A 54 -4.574 -0.220 -2.979 1.00 0.00 C ATOM 810 O GLY A 54 -4.398 0.423 -1.943 1.00 0.00 O ATOM 0 H GLY A 54 -6.755 0.615 -2.007 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.171 -1.010 -4.156 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.628 0.580 -4.655 1.00 0.00 H new ATOM 814 N ILE A 55 -3.672 -1.071 -3.463 1.00 0.00 N ATOM 815 CA ILE A 55 -2.407 -1.285 -2.779 1.00 0.00 C ATOM 816 C ILE A 55 -1.595 -0.001 -2.859 1.00 0.00 C ATOM 817 O ILE A 55 -0.811 0.318 -1.966 1.00 0.00 O ATOM 818 CB ILE A 55 -1.605 -2.456 -3.388 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.420 -2.812 -2.487 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.123 -2.101 -4.783 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.195 -4.158 -2.803 1.00 0.00 C ATOM 0 H ILE A 55 -3.794 -1.616 -4.316 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.614 -1.548 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.260 -3.324 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.344 -2.041 -2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.749 -2.807 -1.448 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.560 -2.937 -5.197 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.981 -1.890 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.482 -1.221 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.029 -4.345 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.555 -4.939 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.555 -4.161 -3.832 1.00 0.00 H new ATOM 833 N LEU A 56 -1.838 0.753 -3.931 1.00 0.00 N ATOM 834 CA LEU A 56 -1.186 2.036 -4.139 1.00 0.00 C ATOM 835 C LEU A 56 -2.194 3.150 -3.875 1.00 0.00 C ATOM 836 O LEU A 56 -1.935 4.315 -4.164 1.00 0.00 O ATOM 837 CB LEU A 56 -0.616 2.158 -5.568 1.00 0.00 C ATOM 838 CG LEU A 56 0.908 2.382 -5.667 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.399 3.271 -4.533 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.636 1.047 -5.650 1.00 0.00 C ATOM 0 H LEU A 56 -2.488 0.490 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.347 2.119 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.867 1.251 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.119 2.984 -6.070 1.00 0.00 H new ATOM 0 HG LEU A 56 1.122 2.886 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.476 3.415 -4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.898 4.238 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.175 2.798 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.710 1.217 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.412 0.522 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.308 0.443 -6.496 1.00 0.00 H new ATOM 852 N GLN A 57 -3.351 2.771 -3.309 1.00 0.00 N ATOM 853 CA GLN A 57 -4.419 3.716 -2.978 1.00 0.00 C ATOM 854 C GLN A 57 -5.101 4.274 -4.224 1.00 0.00 C ATOM 855 O GLN A 57 -4.844 5.412 -4.615 1.00 0.00 O ATOM 856 CB GLN A 57 -3.869 4.865 -2.128 1.00 0.00 C ATOM 857 CG GLN A 57 -3.291 4.414 -0.797 1.00 0.00 C ATOM 858 CD GLN A 57 -3.238 5.532 0.226 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.785 6.638 -0.070 1.00 0.00 O ATOM 860 NE2 GLN A 57 -3.704 5.249 1.436 1.00 0.00 N ATOM 0 H GLN A 57 -3.568 1.803 -3.070 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.169 3.167 -2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.096 5.386 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.667 5.584 -1.943 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.892 3.595 -0.403 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.286 4.024 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.070 4.318 1.637 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.696 5.962 2.165 1.00 0.00 H new ATOM 869 N ILE A 58 -5.964 3.475 -4.863 1.00 0.00 N ATOM 870 CA ILE A 58 -6.641 3.930 -6.058 1.00 0.00 C ATOM 871 C ILE A 58 -7.886 4.710 -5.697 1.00 0.00 C ATOM 872 O ILE A 58 -8.944 4.136 -5.438 1.00 0.00 O ATOM 873 CB ILE A 58 -7.010 2.758 -6.985 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.820 1.802 -7.136 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.456 3.277 -8.344 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.504 2.498 -7.417 1.00 0.00 C ATOM 0 H ILE A 58 -6.200 2.527 -4.570 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.950 4.581 -6.595 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.839 2.208 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.721 1.214 -6.223 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.029 1.102 -7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.713 2.436 -8.988 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.328 3.919 -8.220 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.647 3.848 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.712 1.755 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.582 3.063 -8.346 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.269 3.177 -6.597 1.00 0.00 H new ATOM 888 N ASN A 59 -7.751 6.027 -5.686 1.00 0.00 N ATOM 889 CA ASN A 59 -8.862 6.898 -5.366 1.00 0.00 C ATOM 890 C ASN A 59 -9.957 6.719 -6.400 1.00 0.00 C ATOM 891 O ASN A 59 -9.874 7.261 -7.502 1.00 0.00 O ATOM 892 CB ASN A 59 -8.392 8.349 -5.339 1.00 0.00 C ATOM 893 CG ASN A 59 -9.399 9.281 -4.698 1.00 0.00 C ATOM 894 OD1 ASN A 59 -9.130 9.875 -3.656 1.00 0.00 O ATOM 895 ND2 ASN A 59 -10.565 9.415 -5.320 1.00 0.00 N ATOM 0 H ASN A 59 -6.879 6.513 -5.896 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.255 6.641 -4.382 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.449 8.411 -4.795 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.194 8.681 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.281 10.031 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.745 8.902 -6.183 1.00 0.00 H new ATOM 902 N SER A 60 -10.983 5.959 -6.048 1.00 0.00 N ATOM 903 CA SER A 60 -12.095 5.712 -6.962 1.00 0.00 C ATOM 904 C SER A 60 -12.886 6.988 -7.250 1.00 0.00 C ATOM 905 O SER A 60 -13.591 7.072 -8.255 1.00 0.00 O ATOM 906 CB SER A 60 -13.028 4.649 -6.380 1.00 0.00 C ATOM 907 OG SER A 60 -13.996 5.233 -5.526 1.00 0.00 O ATOM 0 H SER A 60 -11.072 5.503 -5.140 1.00 0.00 H new ATOM 0 HA SER A 60 -11.674 5.357 -7.903 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.527 4.116 -7.189 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.445 3.914 -5.825 1.00 0.00 H new ATOM 0 HG SER A 60 -14.892 5.066 -5.885 1.00 0.00 H new ATOM 913 N ARG A 61 -12.766 7.983 -6.377 1.00 0.00 N ATOM 914 CA ARG A 61 -13.474 9.245 -6.567 1.00 0.00 C ATOM 915 C ARG A 61 -12.659 10.178 -7.448 1.00 0.00 C ATOM 916 O ARG A 61 -12.884 11.389 -7.470 1.00 0.00 O ATOM 917 CB ARG A 61 -13.755 9.908 -5.217 1.00 0.00 C ATOM 918 CG ARG A 61 -15.018 10.755 -5.206 1.00 0.00 C ATOM 919 CD ARG A 61 -15.581 10.898 -3.802 1.00 0.00 C ATOM 920 NE ARG A 61 -16.607 11.934 -3.726 1.00 0.00 N ATOM 921 CZ ARG A 61 -17.910 11.692 -3.840 1.00 0.00 C ATOM 922 NH1 ARG A 61 -18.344 10.455 -4.035 1.00 0.00 N ATOM 923 NH2 ARG A 61 -18.780 12.690 -3.761 1.00 0.00 N ATOM 0 H ARG A 61 -12.190 7.941 -5.537 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.425 9.038 -7.058 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.839 9.135 -4.453 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.905 10.534 -4.945 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.799 11.742 -5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.767 10.301 -5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.004 9.945 -3.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.773 11.137 -3.110 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.308 12.898 -3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.678 9.685 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.344 10.273 -4.122 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.450 13.644 -3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -19.779 12.504 -3.849 1.00 0.00 H new ATOM 937 N TRP A 62 -11.710 9.601 -8.175 1.00 0.00 N ATOM 938 CA TRP A 62 -10.855 10.379 -9.063 1.00 0.00 C ATOM 939 C TRP A 62 -10.168 9.516 -10.126 1.00 0.00 C ATOM 940 O TRP A 62 -9.479 10.048 -10.995 1.00 0.00 O ATOM 941 CB TRP A 62 -9.798 11.127 -8.248 1.00 0.00 C ATOM 942 CG TRP A 62 -9.507 12.500 -8.769 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.610 12.835 -9.744 1.00 0.00 C ATOM 944 CD2 TRP A 62 -10.111 13.726 -8.343 1.00 0.00 C ATOM 945 NE1 TRP A 62 -8.621 14.192 -9.949 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.535 14.763 -9.101 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.085 14.049 -7.394 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.901 16.096 -8.939 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.448 15.373 -7.234 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.856 16.383 -8.004 1.00 0.00 C ATOM 0 H TRP A 62 -11.513 8.600 -8.167 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.499 11.087 -9.585 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.134 11.203 -7.214 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.876 10.546 -8.242 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.984 12.134 -10.276 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -8.043 14.694 -10.623 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.546 13.277 -6.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.446 16.876 -9.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.200 15.633 -6.504 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.160 17.409 -7.856 1.00 0.00 H new ATOM 961 N TRP A 63 -10.330 8.191 -10.058 1.00 0.00 N ATOM 962 CA TRP A 63 -9.683 7.310 -11.027 1.00 0.00 C ATOM 963 C TRP A 63 -10.640 6.267 -11.600 1.00 0.00 C ATOM 964 O TRP A 63 -10.929 6.273 -12.795 1.00 0.00 O ATOM 965 CB TRP A 63 -8.487 6.608 -10.377 1.00 0.00 C ATOM 966 CG TRP A 63 -7.398 7.556 -9.984 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.788 7.669 -8.766 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.802 8.538 -10.824 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.840 8.666 -8.809 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.832 9.215 -10.066 1.00 0.00 C ATOM 971 CE3 TRP A 63 -7.000 8.904 -12.150 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -5.061 10.245 -10.601 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.245 9.921 -12.681 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.282 10.586 -11.909 1.00 0.00 C ATOM 0 H TRP A 63 -10.894 7.714 -9.354 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.348 7.935 -11.855 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.826 6.066 -9.494 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -8.086 5.869 -11.070 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.016 7.066 -7.899 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.242 8.950 -8.033 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.737 8.396 -12.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.317 10.755 -10.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.396 10.213 -13.710 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.704 11.382 -12.354 1.00 0.00 H new ATOM 985 N CYS A 64 -11.090 5.349 -10.756 1.00 0.00 N ATOM 986 CA CYS A 64 -11.975 4.282 -11.213 1.00 0.00 C ATOM 987 C CYS A 64 -13.442 4.569 -10.937 1.00 0.00 C ATOM 988 O CYS A 64 -13.787 5.392 -10.093 1.00 0.00 O ATOM 989 CB CYS A 64 -11.577 2.943 -10.583 1.00 0.00 C ATOM 990 SG CYS A 64 -12.252 2.662 -8.911 1.00 0.00 S ATOM 0 H CYS A 64 -10.861 5.319 -9.762 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.857 4.227 -12.295 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.910 2.136 -11.236 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.489 2.887 -10.536 1.00 0.00 H new ATOM 995 N ASN A 65 -14.298 3.872 -11.679 1.00 0.00 N ATOM 996 CA ASN A 65 -15.744 4.030 -11.550 1.00 0.00 C ATOM 997 C ASN A 65 -16.369 2.844 -10.817 1.00 0.00 C ATOM 998 O ASN A 65 -16.379 1.722 -11.323 1.00 0.00 O ATOM 999 CB ASN A 65 -16.381 4.182 -12.934 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.797 3.639 -12.991 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.640 3.978 -12.160 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.066 2.790 -13.976 1.00 0.00 N ATOM 0 H ASN A 65 -14.013 3.188 -12.380 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.933 4.929 -10.963 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.389 5.236 -13.212 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.768 3.663 -13.671 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.001 2.392 -14.065 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.338 2.536 -14.643 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.896 3.107 -9.625 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.531 2.068 -8.820 1.00 0.00 C ATOM 1011 C ASP A 66 -19.044 2.267 -8.771 1.00 0.00 C ATOM 1012 O ASP A 66 -19.762 1.499 -8.130 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.957 2.068 -7.402 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.147 3.401 -6.703 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -16.443 4.367 -7.064 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.001 3.478 -5.795 1.00 0.00 O ATOM 0 H ASP A 66 -16.896 4.032 -9.194 1.00 0.00 H new ATOM 0 HA ASP A 66 -17.324 1.105 -9.286 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.437 1.283 -6.818 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.894 1.830 -7.443 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.517 3.309 -9.447 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.939 3.604 -9.469 1.00 0.00 C ATOM 1023 C GLY A 67 -21.232 5.024 -9.030 1.00 0.00 C ATOM 1024 O GLY A 67 -22.388 5.408 -8.855 1.00 0.00 O ATOM 0 H GLY A 67 -18.939 3.957 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -21.326 3.449 -10.476 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.464 2.907 -8.815 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.171 5.803 -8.850 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.285 7.188 -8.428 1.00 0.00 C ATOM 1030 C ARG A 68 -19.419 8.062 -9.318 1.00 0.00 C ATOM 1031 O ARG A 68 -18.658 8.903 -8.844 1.00 0.00 O ATOM 1032 CB ARG A 68 -19.864 7.341 -6.965 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.823 6.684 -5.984 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.704 7.713 -5.294 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.203 7.232 -4.009 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.788 7.698 -2.835 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -20.870 8.653 -2.783 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -22.292 7.208 -1.710 1.00 0.00 N ATOM 0 H ARG A 68 -19.211 5.490 -8.993 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.325 7.501 -8.518 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -18.872 6.910 -6.834 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -19.784 8.402 -6.727 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.448 5.963 -6.511 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.257 6.128 -5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -21.137 8.632 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -22.546 7.961 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.910 6.497 -4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -20.480 9.033 -3.645 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -20.554 9.008 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -22.998 6.473 -1.745 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -21.973 7.566 -0.810 1.00 0.00 H new ATOM 1052 N THR A 69 -19.539 7.831 -10.618 1.00 0.00 N ATOM 1053 CA THR A 69 -18.762 8.565 -11.611 1.00 0.00 C ATOM 1054 C THR A 69 -19.278 9.993 -11.812 1.00 0.00 C ATOM 1055 O THR A 69 -18.479 10.899 -12.048 1.00 0.00 O ATOM 1056 CB THR A 69 -18.775 7.840 -12.970 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.299 6.500 -12.813 1.00 0.00 O ATOM 1058 CG2 THR A 69 -17.912 8.574 -13.986 1.00 0.00 C ATOM 0 H THR A 69 -20.172 7.136 -11.013 1.00 0.00 H new ATOM 0 HA THR A 69 -17.744 8.613 -11.225 1.00 0.00 H new ATOM 0 HB THR A 69 -19.801 7.821 -13.337 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.019 5.936 -12.462 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.938 8.042 -14.937 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.294 9.585 -14.125 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.885 8.621 -13.624 1.00 0.00 H new ATOM 1066 N PRO A 70 -20.607 10.238 -11.719 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.156 11.587 -11.886 1.00 0.00 C ATOM 1068 C PRO A 70 -20.346 12.626 -11.113 1.00 0.00 C ATOM 1069 O PRO A 70 -20.345 13.810 -11.450 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.565 11.463 -11.312 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.940 10.042 -11.550 1.00 0.00 C ATOM 1072 CD PRO A 70 -21.666 9.246 -11.439 1.00 0.00 C ATOM 0 HA PRO A 70 -21.137 11.922 -12.923 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.584 11.706 -10.250 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.257 12.144 -11.807 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -23.674 9.705 -10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.392 9.918 -12.534 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.552 8.808 -10.447 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.644 8.424 -12.155 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.644 12.160 -10.081 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.818 13.037 -9.274 1.00 0.00 C ATOM 1082 C GLY A 71 -17.364 12.598 -9.268 1.00 0.00 C ATOM 1083 O GLY A 71 -16.478 13.359 -8.879 1.00 0.00 O ATOM 0 H GLY A 71 -19.635 11.182 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.888 14.055 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.197 13.053 -8.252 1.00 0.00 H new ATOM 1087 N SER A 72 -17.125 11.365 -9.709 1.00 0.00 N ATOM 1088 CA SER A 72 -15.776 10.811 -9.767 1.00 0.00 C ATOM 1089 C SER A 72 -15.140 11.090 -11.125 1.00 0.00 C ATOM 1090 O SER A 72 -15.811 11.049 -12.156 1.00 0.00 O ATOM 1091 CB SER A 72 -15.809 9.303 -9.512 1.00 0.00 C ATOM 1092 OG SER A 72 -16.118 9.021 -8.158 1.00 0.00 O ATOM 0 H SER A 72 -17.853 10.728 -10.033 1.00 0.00 H new ATOM 0 HA SER A 72 -15.177 11.290 -8.993 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.550 8.837 -10.162 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.843 8.867 -9.766 1.00 0.00 H new ATOM 0 HG SER A 72 -17.091 8.974 -8.047 1.00 0.00 H new ATOM 1098 N ARG A 73 -13.843 11.373 -11.116 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.115 11.658 -12.348 1.00 0.00 C ATOM 1100 C ARG A 73 -13.182 10.472 -13.308 1.00 0.00 C ATOM 1101 O ARG A 73 -13.329 10.650 -14.517 1.00 0.00 O ATOM 1102 CB ARG A 73 -11.655 11.998 -12.039 1.00 0.00 C ATOM 1103 CG ARG A 73 -11.392 13.488 -11.910 1.00 0.00 C ATOM 1104 CD ARG A 73 -10.979 14.099 -13.239 1.00 0.00 C ATOM 1105 NE ARG A 73 -10.327 15.394 -13.067 1.00 0.00 N ATOM 1106 CZ ARG A 73 -10.910 16.556 -13.346 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -12.153 16.585 -13.809 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -10.250 17.692 -13.163 1.00 0.00 N ATOM 0 H ARG A 73 -13.274 11.411 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.586 12.517 -12.826 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.364 11.505 -11.112 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.021 11.593 -12.828 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.289 13.986 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.608 13.657 -11.172 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.303 13.418 -13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.858 14.217 -13.872 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.371 15.408 -12.713 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -12.664 15.714 -13.952 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.597 17.478 -14.022 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.294 17.675 -12.808 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.699 18.583 -13.377 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.082 9.266 -12.756 1.00 0.00 N ATOM 1123 CA ASN A 74 -13.138 8.039 -13.555 1.00 0.00 C ATOM 1124 C ASN A 74 -12.150 8.122 -14.702 1.00 0.00 C ATOM 1125 O ASN A 74 -12.316 7.481 -15.740 1.00 0.00 O ATOM 1126 CB ASN A 74 -14.553 7.813 -14.092 1.00 0.00 C ATOM 1127 CG ASN A 74 -14.738 6.425 -14.673 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.928 5.528 -14.439 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -15.809 6.241 -15.437 1.00 0.00 N ATOM 0 H ASN A 74 -12.961 9.109 -11.755 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.872 7.195 -12.918 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.272 7.965 -13.287 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.770 8.556 -14.859 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.986 5.328 -15.856 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.455 7.013 -15.605 1.00 0.00 H new ATOM 1136 N LEU A 75 -11.108 8.907 -14.486 1.00 0.00 N ATOM 1137 CA LEU A 75 -10.059 9.086 -15.457 1.00 0.00 C ATOM 1138 C LEU A 75 -9.530 7.745 -15.894 1.00 0.00 C ATOM 1139 O LEU A 75 -9.857 7.230 -16.963 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.947 9.872 -14.791 1.00 0.00 C ATOM 1141 CG LEU A 75 -9.063 11.388 -14.947 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -7.855 12.095 -14.355 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -9.241 11.770 -16.410 1.00 0.00 C ATOM 0 H LEU A 75 -10.972 9.438 -13.626 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.438 9.613 -16.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.933 9.629 -13.729 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.992 9.549 -15.205 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.947 11.711 -14.397 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.966 13.172 -14.481 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.780 11.860 -13.293 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.952 11.761 -14.866 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -9.321 12.854 -16.496 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.382 11.423 -16.984 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.148 11.307 -16.799 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.711 7.209 -15.018 1.00 0.00 N ATOM 1156 CA CYS A 76 -8.078 5.924 -15.181 1.00 0.00 C ATOM 1157 C CYS A 76 -8.969 4.930 -15.923 1.00 0.00 C ATOM 1158 O CYS A 76 -8.475 4.047 -16.625 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.791 5.415 -13.789 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.117 4.756 -13.526 1.00 0.00 S ATOM 0 H CYS A 76 -8.460 7.672 -14.145 1.00 0.00 H new ATOM 0 HA CYS A 76 -7.172 6.029 -15.779 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.958 6.228 -13.082 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.512 4.633 -13.551 1.00 0.00 H new ATOM 1165 N ASN A 77 -10.284 5.081 -15.762 1.00 0.00 N ATOM 1166 CA ASN A 77 -11.242 4.194 -16.412 1.00 0.00 C ATOM 1167 C ASN A 77 -10.871 2.746 -16.134 1.00 0.00 C ATOM 1168 O ASN A 77 -10.634 1.963 -17.055 1.00 0.00 O ATOM 1169 CB ASN A 77 -11.274 4.453 -17.919 1.00 0.00 C ATOM 1170 CG ASN A 77 -12.592 4.044 -18.548 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -13.116 2.965 -18.272 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -13.135 4.907 -19.399 1.00 0.00 N ATOM 0 H ASN A 77 -10.707 5.809 -15.187 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.235 4.391 -16.009 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -11.098 5.512 -18.107 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -10.461 3.906 -18.396 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.021 4.686 -19.853 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.666 5.790 -19.599 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.802 2.406 -14.854 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.434 1.061 -14.448 1.00 0.00 C ATOM 1181 C ILE A 78 -11.508 0.413 -13.581 1.00 0.00 C ATOM 1182 O ILE A 78 -12.245 1.101 -12.875 1.00 0.00 O ATOM 1183 CB ILE A 78 -9.093 1.060 -13.685 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -9.321 0.995 -12.164 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -8.295 2.291 -14.065 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -8.363 1.845 -11.352 1.00 0.00 C ATOM 0 H ILE A 78 -10.996 3.044 -14.082 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.331 0.477 -15.362 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.527 0.171 -13.965 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.341 1.311 -11.948 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -9.233 -0.042 -11.839 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.347 2.291 -13.526 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.102 2.283 -15.138 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.860 3.186 -13.805 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.594 1.741 -10.292 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.340 1.516 -11.535 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.466 2.890 -11.645 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.594 -0.928 -13.599 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.563 -1.655 -12.783 1.00 0.00 C ATOM 1200 C PRO A 79 -12.130 -1.655 -11.323 1.00 0.00 C ATOM 1201 O PRO A 79 -11.085 -2.204 -10.976 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.527 -3.066 -13.366 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.152 -3.208 -13.923 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.741 -1.836 -14.390 1.00 0.00 C ATOM 0 HA PRO A 79 -13.561 -1.217 -12.802 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.724 -3.816 -12.600 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.283 -3.194 -14.140 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.463 -3.584 -13.167 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.138 -3.920 -14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.682 -1.651 -14.208 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.907 -1.711 -15.460 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.920 -1.010 -10.475 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.599 -0.908 -9.057 1.00 0.00 C ATOM 1214 C CYS A 80 -12.537 -2.276 -8.380 1.00 0.00 C ATOM 1215 O CYS A 80 -11.494 -2.666 -7.858 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.614 -0.007 -8.355 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.933 1.563 -9.228 1.00 0.00 S ATOM 0 H CYS A 80 -13.789 -0.549 -10.745 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.606 -0.466 -8.974 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.553 -0.549 -8.247 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.256 0.214 -7.349 1.00 0.00 H new ATOM 1222 N SER A 81 -13.653 -2.995 -8.380 1.00 0.00 N ATOM 1223 CA SER A 81 -13.715 -4.314 -7.748 1.00 0.00 C ATOM 1224 C SER A 81 -12.743 -5.301 -8.393 1.00 0.00 C ATOM 1225 O SER A 81 -12.355 -6.289 -7.770 1.00 0.00 O ATOM 1226 CB SER A 81 -15.139 -4.867 -7.818 1.00 0.00 C ATOM 1227 OG SER A 81 -15.614 -4.888 -9.153 1.00 0.00 O ATOM 0 H SER A 81 -14.527 -2.691 -8.809 1.00 0.00 H new ATOM 0 HA SER A 81 -13.422 -4.191 -6.705 1.00 0.00 H new ATOM 0 HB2 SER A 81 -15.161 -5.876 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.800 -4.256 -7.203 1.00 0.00 H new ATOM 0 HG SER A 81 -16.526 -5.247 -9.170 1.00 0.00 H new ATOM 1233 N ALA A 82 -12.348 -5.034 -9.634 1.00 0.00 N ATOM 1234 CA ALA A 82 -11.417 -5.912 -10.336 1.00 0.00 C ATOM 1235 C ALA A 82 -9.974 -5.508 -10.055 1.00 0.00 C ATOM 1236 O ALA A 82 -9.046 -6.293 -10.249 1.00 0.00 O ATOM 1237 CB ALA A 82 -11.693 -5.897 -11.831 1.00 0.00 C ATOM 0 H ALA A 82 -12.655 -4.223 -10.171 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.564 -6.927 -9.968 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.989 -6.557 -12.338 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.711 -6.240 -12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.577 -4.882 -12.212 1.00 0.00 H new ATOM 1243 N LEU A 83 -9.799 -4.278 -9.584 1.00 0.00 N ATOM 1244 CA LEU A 83 -8.474 -3.766 -9.258 1.00 0.00 C ATOM 1245 C LEU A 83 -8.114 -4.123 -7.821 1.00 0.00 C ATOM 1246 O LEU A 83 -6.999 -3.875 -7.363 1.00 0.00 O ATOM 1247 CB LEU A 83 -8.415 -2.245 -9.472 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.642 -1.385 -8.225 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.320 -1.060 -7.550 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -9.375 -0.104 -8.591 1.00 0.00 C ATOM 0 H LEU A 83 -10.559 -3.617 -9.420 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.746 -4.230 -9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.440 -1.994 -9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.162 -1.973 -10.218 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.256 -1.952 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.503 -0.448 -6.667 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.825 -1.985 -7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.682 -0.513 -8.244 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.529 0.496 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.782 0.462 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.341 -0.351 -9.032 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.072 -4.714 -7.122 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.879 -5.113 -5.737 1.00 0.00 C ATOM 1264 C LEU A 84 -8.618 -6.608 -5.633 1.00 0.00 C ATOM 1265 O LEU A 84 -8.479 -7.153 -4.539 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.104 -4.715 -4.919 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.520 -3.254 -5.085 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.587 -2.883 -4.071 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.313 -2.334 -4.955 1.00 0.00 C ATOM 0 H LEU A 84 -9.997 -4.929 -7.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.004 -4.600 -5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.940 -5.354 -5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.901 -4.906 -3.865 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.939 -3.129 -6.083 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.870 -1.839 -4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.462 -3.517 -4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.197 -3.026 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.630 -1.298 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.862 -2.463 -3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.582 -2.582 -5.725 1.00 0.00 H new ATOM 1281 N SER A 85 -8.538 -7.260 -6.785 1.00 0.00 N ATOM 1282 CA SER A 85 -8.275 -8.693 -6.843 1.00 0.00 C ATOM 1283 C SER A 85 -6.874 -9.002 -6.340 1.00 0.00 C ATOM 1284 O SER A 85 -6.172 -8.126 -5.836 1.00 0.00 O ATOM 1285 CB SER A 85 -8.439 -9.204 -8.276 1.00 0.00 C ATOM 1286 OG SER A 85 -7.371 -8.765 -9.098 1.00 0.00 O ATOM 0 H SER A 85 -8.652 -6.817 -7.697 1.00 0.00 H new ATOM 0 HA SER A 85 -8.995 -9.199 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.478 -10.293 -8.275 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.386 -8.852 -8.685 1.00 0.00 H new ATOM 0 HG SER A 85 -7.646 -7.965 -9.593 1.00 0.00 H new ATOM 1292 N SER A 86 -6.475 -10.255 -6.488 1.00 0.00 N ATOM 1293 CA SER A 86 -5.152 -10.696 -6.058 1.00 0.00 C ATOM 1294 C SER A 86 -4.108 -10.341 -7.110 1.00 0.00 C ATOM 1295 O SER A 86 -3.103 -11.035 -7.268 1.00 0.00 O ATOM 1296 CB SER A 86 -5.150 -12.205 -5.806 1.00 0.00 C ATOM 1297 OG SER A 86 -5.878 -12.892 -6.809 1.00 0.00 O ATOM 0 H SER A 86 -7.048 -10.989 -6.904 1.00 0.00 H new ATOM 0 HA SER A 86 -4.902 -10.185 -5.128 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.124 -12.571 -5.782 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.586 -12.414 -4.829 1.00 0.00 H new ATOM 0 HG SER A 86 -5.860 -13.854 -6.625 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.366 -9.259 -7.836 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.470 -8.804 -8.888 1.00 0.00 C ATOM 1305 C ASP A 87 -3.232 -7.300 -8.788 1.00 0.00 C ATOM 1306 O ASP A 87 -4.175 -6.509 -8.823 1.00 0.00 O ATOM 1307 CB ASP A 87 -4.065 -9.162 -10.249 1.00 0.00 C ATOM 1308 CG ASP A 87 -3.200 -8.701 -11.405 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -1.972 -8.570 -11.212 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.749 -8.478 -12.504 1.00 0.00 O ATOM 0 H ASP A 87 -5.195 -8.678 -7.712 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.507 -9.301 -8.772 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.200 -10.242 -10.309 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.054 -8.712 -10.338 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.965 -6.909 -8.659 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.607 -5.497 -8.548 1.00 0.00 C ATOM 1317 C ILE A 88 -1.585 -4.812 -9.907 1.00 0.00 C ATOM 1318 O ILE A 88 -1.381 -3.605 -9.988 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.227 -5.298 -7.885 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.686 -6.494 -8.162 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.379 -5.067 -6.392 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.153 -6.130 -8.234 1.00 0.00 C ATOM 0 H ILE A 88 -1.171 -7.549 -8.629 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.377 -5.047 -7.922 1.00 0.00 H new ATOM 0 HB ILE A 88 0.237 -4.413 -8.320 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.543 -7.239 -7.379 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.388 -6.958 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.605 -4.929 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.984 -4.176 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.867 -5.930 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.741 -7.026 -8.433 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.310 -5.408 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.467 -5.693 -7.286 1.00 0.00 H new ATOM 1334 N THR A 89 -1.781 -5.581 -10.971 1.00 0.00 N ATOM 1335 CA THR A 89 -1.769 -5.022 -12.318 1.00 0.00 C ATOM 1336 C THR A 89 -2.698 -3.819 -12.428 1.00 0.00 C ATOM 1337 O THR A 89 -2.311 -2.776 -12.951 1.00 0.00 O ATOM 1338 CB THR A 89 -2.176 -6.072 -13.369 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.270 -7.180 -13.332 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.184 -5.467 -14.766 1.00 0.00 C ATOM 0 H THR A 89 -1.949 -6.586 -10.929 1.00 0.00 H new ATOM 0 HA THR A 89 -0.746 -4.702 -12.514 1.00 0.00 H new ATOM 0 HB THR A 89 -3.183 -6.417 -13.133 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.251 -7.557 -12.428 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.474 -6.228 -15.490 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.896 -4.642 -14.801 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.188 -5.097 -15.008 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.930 -3.975 -11.958 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.914 -2.913 -12.027 1.00 0.00 C ATOM 1350 C ALA A 90 -4.566 -1.727 -11.124 1.00 0.00 C ATOM 1351 O ALA A 90 -4.547 -0.583 -11.579 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.289 -3.458 -11.685 1.00 0.00 C ATOM 0 H ALA A 90 -4.268 -4.834 -11.523 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.915 -2.537 -13.050 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.023 -2.654 -11.739 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.556 -4.242 -12.394 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.276 -3.870 -10.676 1.00 0.00 H new ATOM 1358 N SER A 91 -4.290 -1.998 -9.848 1.00 0.00 N ATOM 1359 CA SER A 91 -3.943 -0.939 -8.899 1.00 0.00 C ATOM 1360 C SER A 91 -2.669 -0.220 -9.319 1.00 0.00 C ATOM 1361 O SER A 91 -2.511 0.979 -9.082 1.00 0.00 O ATOM 1362 CB SER A 91 -3.770 -1.514 -7.493 1.00 0.00 C ATOM 1363 OG SER A 91 -4.573 -2.667 -7.310 1.00 0.00 O ATOM 0 H SER A 91 -4.300 -2.937 -9.449 1.00 0.00 H new ATOM 0 HA SER A 91 -4.761 -0.219 -8.894 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.723 -1.766 -7.327 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.038 -0.760 -6.753 1.00 0.00 H new ATOM 0 HG SER A 91 -4.060 -3.465 -7.556 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.766 -0.953 -9.949 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.518 -0.358 -10.391 1.00 0.00 C ATOM 1371 C VAL A 92 -0.713 0.414 -11.675 1.00 0.00 C ATOM 1372 O VAL A 92 -0.235 1.529 -11.792 1.00 0.00 O ATOM 1373 CB VAL A 92 0.617 -1.378 -10.592 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.793 -0.715 -11.309 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.055 -1.963 -9.258 1.00 0.00 C ATOM 0 H VAL A 92 -1.871 -1.945 -10.163 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.218 0.312 -9.585 1.00 0.00 H new ATOM 0 HB VAL A 92 0.249 -2.196 -11.211 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.592 -1.443 -11.447 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.465 -0.346 -12.281 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.161 0.118 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.858 -2.682 -9.422 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.411 -1.163 -8.609 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.210 -2.464 -8.786 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.403 -0.175 -12.642 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.634 0.488 -13.898 1.00 0.00 C ATOM 1387 C ASN A 93 -2.173 1.888 -13.668 1.00 0.00 C ATOM 1388 O ASN A 93 -1.783 2.842 -14.344 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.588 -0.334 -14.746 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.819 0.439 -15.181 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -4.843 0.435 -14.498 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.723 1.108 -16.324 1.00 0.00 N ATOM 0 H ASN A 93 -1.808 -1.109 -12.572 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.689 0.580 -14.433 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.061 -0.693 -15.630 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.900 -1.213 -14.182 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.518 1.647 -16.668 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.854 1.083 -16.858 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.059 2.004 -12.689 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.639 3.285 -12.351 1.00 0.00 C ATOM 1401 C CYS A 94 -2.575 4.207 -11.774 1.00 0.00 C ATOM 1402 O CYS A 94 -2.444 5.354 -12.200 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.786 3.117 -11.358 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.078 4.385 -11.529 1.00 0.00 S ATOM 0 H CYS A 94 -3.388 1.225 -12.119 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.038 3.731 -13.262 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.233 2.132 -11.493 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.387 3.149 -10.344 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.808 3.703 -10.808 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.757 4.513 -10.206 1.00 0.00 C ATOM 1411 C ALA A 95 0.332 4.782 -11.225 1.00 0.00 C ATOM 1412 O ALA A 95 0.977 5.822 -11.194 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.185 3.861 -8.972 1.00 0.00 C ATOM 0 H ALA A 95 -1.893 2.758 -10.434 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.197 5.460 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.595 4.496 -8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.975 3.723 -8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.239 2.892 -9.236 1.00 0.00 H new ATOM 1419 N LYS A 96 0.510 3.840 -12.145 1.00 0.00 N ATOM 1420 CA LYS A 96 1.494 3.988 -13.197 1.00 0.00 C ATOM 1421 C LYS A 96 1.208 5.308 -13.898 1.00 0.00 C ATOM 1422 O LYS A 96 2.104 6.093 -14.214 1.00 0.00 O ATOM 1423 CB LYS A 96 1.395 2.830 -14.194 1.00 0.00 C ATOM 1424 CG LYS A 96 2.270 1.641 -13.831 1.00 0.00 C ATOM 1425 CD LYS A 96 1.996 0.452 -14.738 1.00 0.00 C ATOM 1426 CE LYS A 96 3.160 0.191 -15.681 1.00 0.00 C ATOM 1427 NZ LYS A 96 2.830 0.557 -17.086 1.00 0.00 N ATOM 0 H LYS A 96 -0.017 2.968 -12.179 1.00 0.00 H new ATOM 0 HA LYS A 96 2.501 3.978 -12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.357 2.502 -14.256 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.676 3.189 -15.184 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.320 1.924 -13.907 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.090 1.358 -12.794 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.812 -0.435 -14.132 1.00 0.00 H new ATOM 0 HD3 LYS A 96 1.091 0.636 -15.317 1.00 0.00 H new ATOM 0 HE2 LYS A 96 4.029 0.761 -15.352 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.435 -0.863 -15.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.437 0.018 -17.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 1.833 0.334 -17.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 2.990 1.575 -17.226 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.088 5.542 -14.077 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.584 6.765 -14.683 1.00 0.00 C ATOM 1443 C LYS A 97 -0.533 7.894 -13.662 1.00 0.00 C ATOM 1444 O LYS A 97 -0.367 9.061 -14.017 1.00 0.00 O ATOM 1445 CB LYS A 97 -2.014 6.574 -15.191 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.198 6.957 -16.650 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.867 8.315 -16.788 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.336 9.078 -17.991 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.425 9.759 -18.743 1.00 0.00 N ATOM 0 H LYS A 97 -0.821 4.887 -13.805 1.00 0.00 H new ATOM 0 HA LYS A 97 0.047 7.019 -15.535 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.301 5.531 -15.059 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.691 7.171 -14.579 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.228 6.975 -17.148 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.800 6.200 -17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.944 8.183 -16.886 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.699 8.898 -15.883 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.607 9.817 -17.659 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.812 8.390 -18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.021 10.268 -19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.108 9.051 -19.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.909 10.435 -18.118 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.660 7.530 -12.384 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.609 8.507 -11.306 1.00 0.00 C ATOM 1465 C ILE A 98 0.760 9.178 -11.271 1.00 0.00 C ATOM 1466 O ILE A 98 0.871 10.404 -11.245 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.908 7.869 -9.935 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.395 7.500 -9.841 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.520 8.817 -8.808 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.762 6.776 -8.563 1.00 0.00 C ATOM 0 H ILE A 98 -0.798 6.568 -12.076 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.380 9.251 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.314 6.960 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.992 8.409 -9.917 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.659 6.873 -10.692 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.738 8.349 -7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.545 9.039 -8.870 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.089 9.742 -8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.828 6.548 -8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.193 5.849 -8.494 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.530 7.409 -7.707 1.00 0.00 H new ATOM 1482 N VAL A 99 1.794 8.348 -11.270 1.00 0.00 N ATOM 1483 CA VAL A 99 3.169 8.818 -11.240 1.00 0.00 C ATOM 1484 C VAL A 99 3.600 9.360 -12.599 1.00 0.00 C ATOM 1485 O VAL A 99 4.562 10.123 -12.692 1.00 0.00 O ATOM 1486 CB VAL A 99 4.133 7.699 -10.803 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.284 6.659 -11.902 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.484 8.278 -10.412 1.00 0.00 C ATOM 0 H VAL A 99 1.702 7.332 -11.290 1.00 0.00 H new ATOM 0 HA VAL A 99 3.213 9.626 -10.510 1.00 0.00 H new ATOM 0 HB VAL A 99 3.711 7.205 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.969 5.878 -11.572 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.311 6.219 -12.123 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.680 7.133 -12.800 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.151 7.472 -10.106 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.916 8.802 -11.265 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.355 8.976 -9.584 1.00 0.00 H new ATOM 1498 N SER A 100 2.874 8.980 -13.649 1.00 0.00 N ATOM 1499 CA SER A 100 3.182 9.452 -14.994 1.00 0.00 C ATOM 1500 C SER A 100 2.452 10.761 -15.281 1.00 0.00 C ATOM 1501 O SER A 100 2.722 11.432 -16.278 1.00 0.00 O ATOM 1502 CB SER A 100 2.792 8.399 -16.033 1.00 0.00 C ATOM 1503 OG SER A 100 3.887 7.553 -16.338 1.00 0.00 O ATOM 0 H SER A 100 2.073 8.350 -13.593 1.00 0.00 H new ATOM 0 HA SER A 100 4.256 9.627 -15.057 1.00 0.00 H new ATOM 0 HB2 SER A 100 1.961 7.802 -15.656 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.445 8.891 -16.941 1.00 0.00 H new ATOM 0 HG SER A 100 3.611 6.888 -17.003 1.00 0.00 H new ATOM 1509 N ASP A 101 1.527 11.116 -14.395 1.00 0.00 N ATOM 1510 CA ASP A 101 0.752 12.343 -14.540 1.00 0.00 C ATOM 1511 C ASP A 101 1.321 13.455 -13.665 1.00 0.00 C ATOM 1512 O ASP A 101 0.872 14.599 -13.729 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.713 12.093 -14.177 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.647 13.107 -14.810 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.758 13.116 -16.054 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.266 13.892 -14.061 1.00 0.00 O ATOM 0 H ASP A 101 1.295 10.569 -13.566 1.00 0.00 H new ATOM 0 HA ASP A 101 0.813 12.658 -15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.998 11.091 -14.498 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.827 12.125 -13.093 1.00 0.00 H new ATOM 1521 N GLY A 102 2.314 13.110 -12.849 1.00 0.00 N ATOM 1522 CA GLY A 102 2.929 14.092 -11.975 1.00 0.00 C ATOM 1523 C GLY A 102 2.661 13.813 -10.508 1.00 0.00 C ATOM 1524 O GLY A 102 2.157 14.675 -9.788 1.00 0.00 O ATOM 0 H GLY A 102 2.702 12.170 -12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.005 14.105 -12.148 1.00 0.00 H new ATOM 0 HA3 GLY A 102 2.554 15.084 -12.227 1.00 0.00 H new ATOM 1528 N ASN A 103 3.000 12.606 -10.066 1.00 0.00 N ATOM 1529 CA ASN A 103 2.794 12.214 -8.676 1.00 0.00 C ATOM 1530 C ASN A 103 3.718 11.060 -8.297 1.00 0.00 C ATOM 1531 O ASN A 103 3.412 9.897 -8.554 1.00 0.00 O ATOM 1532 CB ASN A 103 1.336 11.814 -8.446 1.00 0.00 C ATOM 1533 CG ASN A 103 0.489 12.972 -7.959 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.926 13.775 -7.134 1.00 0.00 O ATOM 1535 ND2 ASN A 103 -0.735 13.066 -8.469 1.00 0.00 N ATOM 0 H ASN A 103 3.419 11.882 -10.650 1.00 0.00 H new ATOM 0 HA ASN A 103 3.030 13.069 -8.043 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.917 11.427 -9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.295 11.005 -7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -1.351 13.825 -8.179 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -1.058 12.379 -9.150 1.00 0.00 H new ATOM 1542 N GLY A 104 4.843 11.390 -7.674 1.00 0.00 N ATOM 1543 CA GLY A 104 5.788 10.368 -7.263 1.00 0.00 C ATOM 1544 C GLY A 104 5.349 9.658 -5.999 1.00 0.00 C ATOM 1545 O GLY A 104 4.155 9.566 -5.718 1.00 0.00 O ATOM 0 H GLY A 104 5.118 12.345 -7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.904 9.639 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.765 10.823 -7.101 1.00 0.00 H new ATOM 1549 N MET A 105 6.314 9.176 -5.222 1.00 0.00 N ATOM 1550 CA MET A 105 6.019 8.493 -3.972 1.00 0.00 C ATOM 1551 C MET A 105 5.695 9.520 -2.907 1.00 0.00 C ATOM 1552 O MET A 105 5.569 9.198 -1.728 1.00 0.00 O ATOM 1553 CB MET A 105 7.218 7.656 -3.525 1.00 0.00 C ATOM 1554 CG MET A 105 8.071 7.144 -4.671 1.00 0.00 C ATOM 1555 SD MET A 105 7.122 6.197 -5.875 1.00 0.00 S ATOM 1556 CE MET A 105 6.171 5.151 -4.782 1.00 0.00 C ATOM 0 H MET A 105 7.308 9.247 -5.439 1.00 0.00 H new ATOM 0 HA MET A 105 5.166 7.831 -4.122 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.841 8.256 -2.861 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.859 6.806 -2.944 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.545 7.989 -5.171 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.871 6.520 -4.273 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.035 4.172 -5.242 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.700 5.037 -3.836 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.197 5.605 -4.601 1.00 0.00 H new ATOM 1566 N ASN A 106 5.570 10.767 -3.339 1.00 0.00 N ATOM 1567 CA ASN A 106 5.274 11.864 -2.442 1.00 0.00 C ATOM 1568 C ASN A 106 3.775 12.123 -2.387 1.00 0.00 C ATOM 1569 O ASN A 106 3.255 12.600 -1.377 1.00 0.00 O ATOM 1570 CB ASN A 106 6.011 13.114 -2.914 1.00 0.00 C ATOM 1571 CG ASN A 106 7.296 12.784 -3.650 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.334 12.771 -4.880 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.357 12.515 -2.898 1.00 0.00 N ATOM 0 H ASN A 106 5.671 11.041 -4.316 1.00 0.00 H new ATOM 0 HA ASN A 106 5.608 11.604 -1.438 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.359 13.692 -3.569 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.239 13.744 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.249 12.286 -3.337 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.280 12.537 -1.881 1.00 0.00 H new ATOM 1580 N ALA A 107 3.082 11.800 -3.478 1.00 0.00 N ATOM 1581 CA ALA A 107 1.639 11.992 -3.546 1.00 0.00 C ATOM 1582 C ALA A 107 0.955 11.259 -2.402 1.00 0.00 C ATOM 1583 O ALA A 107 0.071 11.799 -1.738 1.00 0.00 O ATOM 1584 CB ALA A 107 1.104 11.506 -4.884 1.00 0.00 C ATOM 0 H ALA A 107 3.497 11.406 -4.322 1.00 0.00 H new ATOM 0 HA ALA A 107 1.424 13.057 -3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 107 0.025 11.656 -4.920 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.576 12.068 -5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.327 10.446 -5.002 1.00 0.00 H new ATOM 1590 N TRP A 108 1.383 10.023 -2.176 1.00 0.00 N ATOM 1591 CA TRP A 108 0.831 9.204 -1.110 1.00 0.00 C ATOM 1592 C TRP A 108 1.451 9.597 0.229 1.00 0.00 C ATOM 1593 O TRP A 108 2.651 9.855 0.323 1.00 0.00 O ATOM 1594 CB TRP A 108 1.051 7.724 -1.426 1.00 0.00 C ATOM 1595 CG TRP A 108 0.403 7.309 -2.717 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.911 6.990 -2.908 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.035 7.184 -3.999 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.133 6.671 -4.227 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.045 6.779 -4.917 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.340 7.372 -4.458 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.323 6.560 -6.270 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.615 7.156 -5.794 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.612 6.753 -6.687 1.00 0.00 C ATOM 0 H TRP A 108 2.114 9.566 -2.721 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.243 9.374 -1.037 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.121 7.522 -1.479 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.652 7.119 -0.612 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.666 6.988 -2.136 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.031 6.398 -4.627 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.121 7.681 -3.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.449 6.251 -6.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.622 7.300 -6.158 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.862 6.592 -7.725 1.00 0.00 H new ATOM 1614 N VAL A 109 0.607 9.686 1.249 1.00 0.00 N ATOM 1615 CA VAL A 109 1.031 10.103 2.586 1.00 0.00 C ATOM 1616 C VAL A 109 1.730 9.014 3.388 1.00 0.00 C ATOM 1617 O VAL A 109 2.419 9.313 4.364 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.156 10.581 3.406 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.272 11.637 4.413 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.274 11.097 2.512 1.00 0.00 C ATOM 0 H VAL A 109 -0.388 9.473 1.177 1.00 0.00 H new ATOM 0 HA VAL A 109 1.747 10.905 2.407 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.546 9.726 3.959 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.594 11.964 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.017 11.216 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.700 12.490 3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.108 11.431 3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.907 11.932 1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.609 10.298 1.851 1.00 0.00 H new ATOM 1630 N ALA A 110 1.569 7.764 2.995 1.00 0.00 N ATOM 1631 CA ALA A 110 2.213 6.669 3.715 1.00 0.00 C ATOM 1632 C ALA A 110 3.705 6.650 3.438 1.00 0.00 C ATOM 1633 O ALA A 110 4.504 6.286 4.302 1.00 0.00 O ATOM 1634 CB ALA A 110 1.580 5.339 3.346 1.00 0.00 C ATOM 0 H ALA A 110 1.007 7.479 2.193 1.00 0.00 H new ATOM 0 HA ALA A 110 2.067 6.830 4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 110 2.074 4.536 3.893 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.521 5.356 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.689 5.169 2.275 1.00 0.00 H new ATOM 1640 N TRP A 111 4.078 7.069 2.239 1.00 0.00 N ATOM 1641 CA TRP A 111 5.480 7.124 1.870 1.00 0.00 C ATOM 1642 C TRP A 111 6.101 8.388 2.444 1.00 0.00 C ATOM 1643 O TRP A 111 7.263 8.394 2.845 1.00 0.00 O ATOM 1644 CB TRP A 111 5.655 7.069 0.350 1.00 0.00 C ATOM 1645 CG TRP A 111 7.088 6.983 -0.089 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.765 5.854 -0.452 1.00 0.00 C ATOM 1647 CD2 TRP A 111 8.019 8.067 -0.216 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.057 6.169 -0.799 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.237 7.520 -0.662 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.942 9.446 0.002 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.366 8.303 -0.893 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 9.062 10.221 -0.227 1.00 0.00 C ATOM 1653 CH2 TRP A 111 10.260 9.649 -0.672 1.00 0.00 C ATOM 0 H TRP A 111 3.433 7.374 1.510 1.00 0.00 H new ATOM 0 HA TRP A 111 5.990 6.254 2.285 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.113 6.207 -0.038 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.201 7.956 -0.092 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.346 4.859 -0.465 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.767 5.505 -1.108 1.00 0.00 H new ATOM 0 HE3 TRP A 111 7.022 9.897 0.344 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 11.292 7.863 -1.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 9.013 11.287 -0.060 1.00 0.00 H new ATOM 0 HH2 TRP A 111 11.117 10.283 -0.844 1.00 0.00 H new ATOM 1664 N ARG A 112 5.313 9.462 2.508 1.00 0.00 N ATOM 1665 CA ARG A 112 5.785 10.721 3.063 1.00 0.00 C ATOM 1666 C ARG A 112 5.461 10.805 4.550 1.00 0.00 C ATOM 1667 O ARG A 112 4.957 11.821 5.031 1.00 0.00 O ATOM 1668 CB ARG A 112 5.139 11.889 2.339 1.00 0.00 C ATOM 1669 CG ARG A 112 5.844 12.281 1.051 1.00 0.00 C ATOM 1670 CD ARG A 112 5.521 13.710 0.651 1.00 0.00 C ATOM 1671 NE ARG A 112 6.222 14.684 1.484 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.310 15.978 1.190 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.744 16.452 0.088 1.00 0.00 N ATOM 1674 NH2 ARG A 112 6.966 16.799 1.999 1.00 0.00 N ATOM 0 H ARG A 112 4.347 9.481 2.182 1.00 0.00 H new ATOM 0 HA ARG A 112 6.866 10.767 2.931 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.103 11.635 2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 112 5.117 12.750 3.007 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.921 12.172 1.177 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.547 11.602 0.251 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.793 13.864 -0.393 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.446 13.874 0.728 1.00 0.00 H new ATOM 0 HE ARG A 112 6.669 14.353 2.339 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.239 15.823 -0.537 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.813 17.445 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.403 16.438 2.847 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.033 17.791 1.773 1.00 0.00 H new ATOM 1688 N ASN A 113 5.763 9.740 5.271 1.00 0.00 N ATOM 1689 CA ASN A 113 5.515 9.695 6.705 1.00 0.00 C ATOM 1690 C ASN A 113 6.491 8.747 7.390 1.00 0.00 C ATOM 1691 O ASN A 113 7.235 9.143 8.286 1.00 0.00 O ATOM 1692 CB ASN A 113 4.077 9.255 6.984 1.00 0.00 C ATOM 1693 CG ASN A 113 3.218 10.386 7.514 1.00 0.00 C ATOM 1694 OD1 ASN A 113 2.322 10.876 6.827 1.00 0.00 O ATOM 1695 ND2 ASN A 113 3.489 10.810 8.743 1.00 0.00 N ATOM 0 H ASN A 113 6.181 8.892 4.888 1.00 0.00 H new ATOM 0 HA ASN A 113 5.662 10.697 7.107 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.635 8.866 6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 113 4.084 8.439 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.945 11.570 9.152 1.00 0.00 H new ATOM 0 HD22 ASN A 113 4.241 10.376 9.278 1.00 0.00 H new ATOM 1702 N ARG A 114 6.467 7.491 6.966 1.00 0.00 N ATOM 1703 CA ARG A 114 7.334 6.474 7.542 1.00 0.00 C ATOM 1704 C ARG A 114 8.329 5.928 6.522 1.00 0.00 C ATOM 1705 O ARG A 114 9.051 4.972 6.803 1.00 0.00 O ATOM 1706 CB ARG A 114 6.490 5.332 8.097 1.00 0.00 C ATOM 1707 CG ARG A 114 6.105 5.509 9.556 1.00 0.00 C ATOM 1708 CD ARG A 114 4.773 6.225 9.699 1.00 0.00 C ATOM 1709 NE ARG A 114 4.520 6.644 11.075 1.00 0.00 N ATOM 1710 CZ ARG A 114 5.024 7.751 11.613 1.00 0.00 C ATOM 1711 NH1 ARG A 114 5.803 8.548 10.894 1.00 0.00 N ATOM 1712 NH2 ARG A 114 4.747 8.063 12.871 1.00 0.00 N ATOM 0 H ARG A 114 5.855 7.152 6.224 1.00 0.00 H new ATOM 0 HA ARG A 114 7.904 6.942 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.583 5.239 7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 114 7.041 4.398 7.987 1.00 0.00 H new ATOM 0 HG2 ARG A 114 6.048 4.534 10.039 1.00 0.00 H new ATOM 0 HG3 ARG A 114 6.881 6.075 10.072 1.00 0.00 H new ATOM 0 HD2 ARG A 114 4.759 7.098 9.046 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.970 5.566 9.368 1.00 0.00 H new ATOM 0 HE ARG A 114 3.923 6.055 11.656 1.00 0.00 H new ATOM 0 HH11 ARG A 114 6.017 8.313 9.925 1.00 0.00 H new ATOM 0 HH12 ARG A 114 6.188 9.396 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.147 7.454 13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.134 8.912 13.283 1.00 0.00 H new ATOM 1726 N CYS A 115 8.361 6.526 5.336 1.00 0.00 N ATOM 1727 CA CYS A 115 9.271 6.074 4.289 1.00 0.00 C ATOM 1728 C CYS A 115 10.339 7.118 3.981 1.00 0.00 C ATOM 1729 O CYS A 115 11.530 6.808 3.962 1.00 0.00 O ATOM 1730 CB CYS A 115 8.489 5.734 3.021 1.00 0.00 C ATOM 1731 SG CYS A 115 7.583 4.159 3.115 1.00 0.00 S ATOM 0 H CYS A 115 7.773 7.318 5.077 1.00 0.00 H new ATOM 0 HA CYS A 115 9.775 5.179 4.653 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.782 6.537 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 115 9.180 5.695 2.179 1.00 0.00 H new ATOM 1736 N LYS A 116 9.911 8.351 3.734 1.00 0.00 N ATOM 1737 CA LYS A 116 10.838 9.432 3.420 1.00 0.00 C ATOM 1738 C LYS A 116 11.804 9.678 4.573 1.00 0.00 C ATOM 1739 O LYS A 116 11.513 10.453 5.486 1.00 0.00 O ATOM 1740 CB LYS A 116 10.067 10.715 3.104 1.00 0.00 C ATOM 1741 CG LYS A 116 10.916 11.785 2.437 1.00 0.00 C ATOM 1742 CD LYS A 116 10.465 13.181 2.833 1.00 0.00 C ATOM 1743 CE LYS A 116 11.005 14.233 1.877 1.00 0.00 C ATOM 1744 NZ LYS A 116 9.922 15.096 1.332 1.00 0.00 N ATOM 0 H LYS A 116 8.929 8.627 3.745 1.00 0.00 H new ATOM 0 HA LYS A 116 11.417 9.136 2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 116 9.226 10.473 2.455 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.651 11.116 4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.961 11.647 2.714 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.856 11.676 1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.376 13.223 2.845 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.803 13.400 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.737 14.853 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.527 13.743 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.331 15.800 0.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.237 14.508 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 9.440 15.584 2.114 1.00 0.00 H new ATOM 1758 N GLY A 117 12.956 9.018 4.524 1.00 0.00 N ATOM 1759 CA GLY A 117 13.948 9.185 5.570 1.00 0.00 C ATOM 1760 C GLY A 117 14.511 7.866 6.066 1.00 0.00 C ATOM 1761 O GLY A 117 15.274 7.841 7.032 1.00 0.00 O ATOM 0 H GLY A 117 13.220 8.372 3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.763 9.804 5.195 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.500 9.721 6.407 1.00 0.00 H new ATOM 1765 N THR A 118 14.142 6.769 5.410 1.00 0.00 N ATOM 1766 CA THR A 118 14.625 5.449 5.801 1.00 0.00 C ATOM 1767 C THR A 118 15.423 4.805 4.668 1.00 0.00 C ATOM 1768 O THR A 118 16.085 5.498 3.896 1.00 0.00 O ATOM 1769 CB THR A 118 13.458 4.522 6.195 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.567 4.357 5.086 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.696 5.088 7.384 1.00 0.00 C ATOM 0 H THR A 118 13.512 6.768 4.608 1.00 0.00 H new ATOM 0 HA THR A 118 15.274 5.584 6.666 1.00 0.00 H new ATOM 0 HB THR A 118 13.871 3.553 6.476 1.00 0.00 H new ATOM 0 HG1 THR A 118 12.242 5.234 4.794 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.877 4.417 7.644 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.370 5.185 8.235 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.294 6.068 7.126 1.00 0.00 H new ATOM 1779 N ASP A 119 15.361 3.478 4.573 1.00 0.00 N ATOM 1780 CA ASP A 119 16.085 2.757 3.532 1.00 0.00 C ATOM 1781 C ASP A 119 15.195 1.743 2.822 1.00 0.00 C ATOM 1782 O ASP A 119 14.984 0.633 3.309 1.00 0.00 O ATOM 1783 CB ASP A 119 17.291 2.063 4.114 1.00 0.00 C ATOM 1784 CG ASP A 119 18.428 1.938 3.118 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.233 1.283 2.073 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.514 2.495 3.384 1.00 0.00 O ATOM 0 H ASP A 119 14.820 2.884 5.201 1.00 0.00 H new ATOM 0 HA ASP A 119 16.411 3.491 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.637 2.615 4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.003 1.070 4.458 1.00 0.00 H new ATOM 1791 N VAL A 120 14.682 2.139 1.664 1.00 0.00 N ATOM 1792 CA VAL A 120 13.818 1.281 0.866 1.00 0.00 C ATOM 1793 C VAL A 120 14.620 0.151 0.238 1.00 0.00 C ATOM 1794 O VAL A 120 14.129 -0.969 0.098 1.00 0.00 O ATOM 1795 CB VAL A 120 13.106 2.075 -0.245 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.110 3.056 0.354 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.118 2.801 -1.118 1.00 0.00 C ATOM 0 H VAL A 120 14.852 3.058 1.254 1.00 0.00 H new ATOM 0 HA VAL A 120 13.065 0.867 1.536 1.00 0.00 H new ATOM 0 HB VAL A 120 12.558 1.372 -0.872 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.617 3.608 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.364 2.510 0.932 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.634 3.754 1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.595 3.356 -1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.697 3.493 -0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.789 2.075 -1.578 1.00 0.00 H new ATOM 1807 N GLN A 121 15.864 0.449 -0.127 1.00 0.00 N ATOM 1808 CA GLN A 121 16.739 -0.551 -0.720 1.00 0.00 C ATOM 1809 C GLN A 121 16.918 -1.708 0.250 1.00 0.00 C ATOM 1810 O GLN A 121 17.240 -2.829 -0.145 1.00 0.00 O ATOM 1811 CB GLN A 121 18.098 0.062 -1.067 1.00 0.00 C ATOM 1812 CG GLN A 121 18.268 0.367 -2.546 1.00 0.00 C ATOM 1813 CD GLN A 121 18.835 -0.807 -3.322 1.00 0.00 C ATOM 1814 OE1 GLN A 121 18.095 -1.675 -3.783 1.00 0.00 O ATOM 1815 NE2 GLN A 121 20.154 -0.837 -3.469 1.00 0.00 N ATOM 0 H GLN A 121 16.285 1.372 -0.022 1.00 0.00 H new ATOM 0 HA GLN A 121 16.285 -0.918 -1.640 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.228 0.982 -0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.887 -0.622 -0.753 1.00 0.00 H new ATOM 0 HG2 GLN A 121 17.303 0.645 -2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.927 1.227 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.729 -0.095 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 121 20.593 -1.602 -3.982 1.00 0.00 H new ATOM 1824 N ALA A 122 16.685 -1.420 1.526 1.00 0.00 N ATOM 1825 CA ALA A 122 16.797 -2.421 2.574 1.00 0.00 C ATOM 1826 C ALA A 122 15.460 -3.120 2.786 1.00 0.00 C ATOM 1827 O ALA A 122 15.409 -4.242 3.290 1.00 0.00 O ATOM 1828 CB ALA A 122 17.275 -1.781 3.870 1.00 0.00 C ATOM 0 H ALA A 122 16.416 -0.494 1.858 1.00 0.00 H new ATOM 0 HA ALA A 122 17.531 -3.166 2.265 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.354 -2.544 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.251 -1.323 3.711 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.563 -1.018 4.183 1.00 0.00 H new ATOM 1834 N TRP A 123 14.374 -2.450 2.394 1.00 0.00 N ATOM 1835 CA TRP A 123 13.036 -3.020 2.539 1.00 0.00 C ATOM 1836 C TRP A 123 12.902 -4.316 1.741 1.00 0.00 C ATOM 1837 O TRP A 123 11.988 -5.107 1.973 1.00 0.00 O ATOM 1838 CB TRP A 123 11.972 -2.018 2.085 1.00 0.00 C ATOM 1839 CG TRP A 123 11.478 -1.133 3.189 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.401 0.229 3.174 1.00 0.00 C ATOM 1841 CD2 TRP A 123 10.991 -1.547 4.473 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.898 0.683 4.369 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.640 -0.392 5.178 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.817 -2.782 5.093 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.128 -0.444 6.467 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.309 -2.832 6.372 1.00 0.00 C ATOM 1847 CH2 TRP A 123 9.969 -1.666 7.048 1.00 0.00 C ATOM 0 H TRP A 123 14.396 -1.519 1.977 1.00 0.00 H new ATOM 0 HA TRP A 123 12.884 -3.246 3.594 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.384 -1.398 1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.128 -2.562 1.661 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.692 0.857 2.345 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.742 1.661 4.614 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.078 -3.693 4.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.863 0.460 6.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.173 -3.788 6.855 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.572 -1.730 8.050 1.00 0.00 H new ATOM 1858 N ILE A 124 13.825 -4.528 0.808 1.00 0.00 N ATOM 1859 CA ILE A 124 13.819 -5.732 -0.018 1.00 0.00 C ATOM 1860 C ILE A 124 15.165 -6.443 0.054 1.00 0.00 C ATOM 1861 O ILE A 124 15.447 -7.350 -0.729 1.00 0.00 O ATOM 1862 CB ILE A 124 13.497 -5.410 -1.489 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.295 -4.192 -1.957 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.004 -5.176 -1.667 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.743 -4.280 -3.401 1.00 0.00 C ATOM 0 H ILE A 124 14.587 -3.882 0.604 1.00 0.00 H new ATOM 0 HA ILE A 124 13.039 -6.384 0.376 1.00 0.00 H new ATOM 0 HB ILE A 124 13.785 -6.264 -2.102 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.686 -3.297 -1.828 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.172 -4.075 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.793 -4.950 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.458 -6.072 -1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.690 -4.338 -1.044 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.303 -3.382 -3.664 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.379 -5.156 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 124 13.870 -4.365 -4.048 1.00 0.00 H new ATOM 1877 N ARG A 125 15.991 -6.019 1.005 1.00 0.00 N ATOM 1878 CA ARG A 125 17.313 -6.604 1.194 1.00 0.00 C ATOM 1879 C ARG A 125 17.206 -8.061 1.639 1.00 0.00 C ATOM 1880 O ARG A 125 17.090 -8.349 2.830 1.00 0.00 O ATOM 1881 CB ARG A 125 18.106 -5.801 2.226 1.00 0.00 C ATOM 1882 CG ARG A 125 19.612 -5.949 2.086 1.00 0.00 C ATOM 1883 CD ARG A 125 20.348 -5.270 3.230 1.00 0.00 C ATOM 1884 NE ARG A 125 21.130 -4.123 2.774 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.331 -4.225 2.213 1.00 0.00 C ATOM 1886 NH1 ARG A 125 22.886 -5.417 2.040 1.00 0.00 N ATOM 1887 NH2 ARG A 125 22.977 -3.135 1.824 1.00 0.00 N ATOM 0 H ARG A 125 15.767 -5.269 1.659 1.00 0.00 H new ATOM 0 HA ARG A 125 17.836 -6.572 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.843 -4.747 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 125 17.810 -6.118 3.226 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.874 -7.007 2.061 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.934 -5.518 1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.628 -4.943 3.980 1.00 0.00 H new ATOM 0 HD3 ARG A 125 21.008 -5.990 3.714 1.00 0.00 H new ATOM 0 HE ARG A 125 20.732 -3.191 2.893 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.391 -6.258 2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 125 23.808 -5.493 1.609 1.00 0.00 H new ATOM 0 HH21 ARG A 125 22.553 -2.217 1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.898 -3.214 1.394 1.00 0.00 H new ATOM 1901 N GLY A 126 17.247 -8.974 0.674 1.00 0.00 N ATOM 1902 CA GLY A 126 17.155 -10.389 0.984 1.00 0.00 C ATOM 1903 C GLY A 126 16.053 -11.085 0.210 1.00 0.00 C ATOM 1904 O GLY A 126 15.910 -12.306 0.285 1.00 0.00 O ATOM 0 H GLY A 126 17.342 -8.759 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.108 -10.868 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.977 -10.512 2.052 1.00 0.00 H new ATOM 1908 N CYS A 127 15.272 -10.309 -0.534 1.00 0.00 N ATOM 1909 CA CYS A 127 14.176 -10.852 -1.322 1.00 0.00 C ATOM 1910 C CYS A 127 14.689 -11.757 -2.438 1.00 0.00 C ATOM 1911 O CYS A 127 15.884 -12.042 -2.521 1.00 0.00 O ATOM 1912 CB CYS A 127 13.345 -9.726 -1.900 1.00 0.00 C ATOM 1913 SG CYS A 127 11.960 -9.203 -0.837 1.00 0.00 S ATOM 0 H CYS A 127 15.380 -9.297 -0.607 1.00 0.00 H new ATOM 0 HA CYS A 127 13.552 -11.456 -0.663 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.992 -8.868 -2.084 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.949 -10.039 -2.866 1.00 0.00 H new ATOM 1918 N ARG A 128 13.778 -12.207 -3.293 1.00 0.00 N ATOM 1919 CA ARG A 128 14.138 -13.082 -4.405 1.00 0.00 C ATOM 1920 C ARG A 128 13.550 -12.567 -5.715 1.00 0.00 C ATOM 1921 O ARG A 128 12.501 -13.032 -6.162 1.00 0.00 O ATOM 1922 CB ARG A 128 13.651 -14.507 -4.137 1.00 0.00 C ATOM 1923 CG ARG A 128 14.778 -15.510 -3.951 1.00 0.00 C ATOM 1924 CD ARG A 128 14.691 -16.639 -4.964 1.00 0.00 C ATOM 1925 NE ARG A 128 13.439 -17.381 -4.851 1.00 0.00 N ATOM 1926 CZ ARG A 128 12.560 -17.502 -5.841 1.00 0.00 C ATOM 1927 NH1 ARG A 128 12.797 -16.932 -7.015 1.00 0.00 N ATOM 1928 NH2 ARG A 128 11.444 -18.194 -5.659 1.00 0.00 N ATOM 0 H ARG A 128 12.785 -11.981 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 128 15.224 -13.088 -4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.025 -14.506 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.022 -14.829 -4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.738 -15.003 -4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 128 14.738 -15.921 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.780 -16.230 -5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 128 15.530 -17.320 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 128 13.226 -17.833 -3.961 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.655 -16.400 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 128 12.121 -17.026 -7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 128 11.258 -18.635 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 128 10.771 -18.286 -6.420 1.00 0.00 H new ATOM 1942 N LEU A 129 14.235 -11.606 -6.327 1.00 0.00 N ATOM 1943 CA LEU A 129 13.781 -11.028 -7.587 1.00 0.00 C ATOM 1944 C LEU A 129 14.850 -11.171 -8.667 1.00 0.00 C ATOM 1945 O LEU A 129 16.044 -11.260 -8.308 1.00 0.00 O ATOM 1946 CB LEU A 129 13.424 -9.552 -7.398 1.00 0.00 C ATOM 1947 CG LEU A 129 12.812 -9.201 -6.040 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.821 -7.696 -5.824 1.00 0.00 C ATOM 1949 CD2 LEU A 129 11.397 -9.749 -5.937 1.00 0.00 C ATOM 1950 OXT LEU A 129 14.485 -11.193 -9.861 1.00 0.00 O ATOM 0 H LEU A 129 15.106 -11.211 -5.971 1.00 0.00 H new ATOM 0 HA LEU A 129 12.891 -11.571 -7.907 1.00 0.00 H new ATOM 0 HB2 LEU A 129 14.325 -8.955 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 129 12.724 -9.260 -8.181 1.00 0.00 H new ATOM 0 HG LEU A 129 13.417 -9.662 -5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 129 12.382 -7.465 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.847 -7.330 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.240 -7.212 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.977 -9.490 -4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.781 -9.317 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 129 11.418 -10.833 -6.046 1.00 0.00 H new