USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 902 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 89 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 53 THR OG1 : rot 75:sc= 0.0877 USER MOD Set 2.2: A 107 LYS NZ :NH3+ 153:sc= -0.135 (180deg=-1.24!) USER MOD Set 3.1: A 27 ASN :FLIP amide:sc= -1.07! F(o=-3.2,f=-2.3!) USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -1.18! C(o=-3.2!,f=-2.3!) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0577 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0921 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 103:sc= 0.481 USER MOD Single : A 10 LYS NZ :NH3+ 141:sc= 0.197 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -124:sc= -1.44! (180deg=-3.66!) USER MOD Single : A 16 ASN : amide:sc=0.000711 K(o=0.00071,f=-0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -112:sc= -0.096 (180deg=-1.43) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 110:sc= -1.5 USER MOD Single : A 39 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.066) USER MOD Single : A 40 CYS SG : rot -153:sc= -0.834 USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00764) USER MOD Single : A 42 GLN : amide:sc=-0.000338 X(o=-0.00034,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -5.24! C(o=-5.2!,f=-9.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -147:sc= -0.195 (180deg=-2.03) USER MOD Single : A 67 SER OG : rot -40:sc= 0 USER MOD Single : A 68 THR OG1 : rot -69:sc= -0.259 USER MOD Single : A 70 ASN : amide:sc= 0.507 K(o=0.51,f=-3.8!) USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0145) USER MOD Single : A 78 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-0.91) USER MOD Single : A 79 SER OG : rot 54:sc= 1.22 USER MOD Single : A 82 THR OG1 : rot 98:sc= 1 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot -92:sc= 0.509 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 THR OG1 : rot -138:sc= 1.1 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.858 -18.688 4.704 1.00 0.00 N ATOM 2 CA GLY A 1 -12.526 -18.586 3.420 1.00 0.00 C ATOM 3 C GLY A 1 -12.427 -19.864 2.611 1.00 0.00 C ATOM 4 O GLY A 1 -12.188 -20.938 3.162 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.522 -18.430 5.462 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.530 -19.664 4.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.043 -18.042 4.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.576 -18.341 3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.090 -17.765 2.851 1.00 0.00 H new ATOM 8 N SER A 2 -12.613 -19.749 1.300 1.00 0.00 N ATOM 9 CA SER A 2 -12.549 -20.906 0.414 1.00 0.00 C ATOM 10 C SER A 2 -11.747 -20.583 -0.843 1.00 0.00 C ATOM 11 O SER A 2 -11.862 -19.494 -1.404 1.00 0.00 O ATOM 12 CB SER A 2 -13.958 -21.360 0.031 1.00 0.00 C ATOM 13 OG SER A 2 -14.720 -20.281 -0.483 1.00 0.00 O ATOM 0 H SER A 2 -12.809 -18.867 0.828 1.00 0.00 H new ATOM 0 HA SER A 2 -12.047 -21.714 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.898 -22.154 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.458 -21.779 0.904 1.00 0.00 H new ATOM 0 HG SER A 2 -15.616 -20.598 -0.722 1.00 0.00 H new ATOM 19 N SER A 3 -10.933 -21.539 -1.280 1.00 0.00 N ATOM 20 CA SER A 3 -10.108 -21.357 -2.469 1.00 0.00 C ATOM 21 C SER A 3 -10.932 -20.788 -3.620 1.00 0.00 C ATOM 22 O SER A 3 -10.494 -19.877 -4.321 1.00 0.00 O ATOM 23 CB SER A 3 -9.477 -22.687 -2.886 1.00 0.00 C ATOM 24 OG SER A 3 -10.457 -23.583 -3.382 1.00 0.00 O ATOM 0 H SER A 3 -10.827 -22.447 -0.828 1.00 0.00 H new ATOM 0 HA SER A 3 -9.316 -20.648 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.721 -22.510 -3.651 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.968 -23.135 -2.032 1.00 0.00 H new ATOM 0 HG SER A 3 -10.028 -24.425 -3.643 1.00 0.00 H new ATOM 30 N GLY A 4 -12.130 -21.334 -3.808 1.00 0.00 N ATOM 31 CA GLY A 4 -12.998 -20.869 -4.874 1.00 0.00 C ATOM 32 C GLY A 4 -13.023 -19.357 -4.985 1.00 0.00 C ATOM 33 O GLY A 4 -12.604 -18.795 -5.996 1.00 0.00 O ATOM 0 H GLY A 4 -12.515 -22.090 -3.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.665 -21.294 -5.821 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.010 -21.234 -4.699 1.00 0.00 H new ATOM 37 N SER A 5 -13.517 -18.698 -3.942 1.00 0.00 N ATOM 38 CA SER A 5 -13.601 -17.242 -3.928 1.00 0.00 C ATOM 39 C SER A 5 -12.660 -16.654 -2.881 1.00 0.00 C ATOM 40 O SER A 5 -13.065 -16.378 -1.752 1.00 0.00 O ATOM 41 CB SER A 5 -15.037 -16.795 -3.648 1.00 0.00 C ATOM 42 OG SER A 5 -15.914 -17.224 -4.675 1.00 0.00 O ATOM 0 H SER A 5 -13.865 -19.149 -3.096 1.00 0.00 H new ATOM 0 HA SER A 5 -13.299 -16.876 -4.909 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.367 -17.199 -2.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.073 -15.709 -3.565 1.00 0.00 H new ATOM 0 HG SER A 5 -16.826 -16.927 -4.472 1.00 0.00 H new ATOM 48 N SER A 6 -11.401 -16.465 -3.265 1.00 0.00 N ATOM 49 CA SER A 6 -10.401 -15.913 -2.359 1.00 0.00 C ATOM 50 C SER A 6 -9.262 -15.262 -3.139 1.00 0.00 C ATOM 51 O SER A 6 -9.116 -15.477 -4.342 1.00 0.00 O ATOM 52 CB SER A 6 -9.847 -17.010 -1.448 1.00 0.00 C ATOM 53 OG SER A 6 -10.620 -17.129 -0.266 1.00 0.00 O ATOM 0 H SER A 6 -11.050 -16.686 -4.197 1.00 0.00 H new ATOM 0 HA SER A 6 -10.883 -15.150 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.842 -17.961 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.813 -16.784 -1.189 1.00 0.00 H new ATOM 0 HG SER A 6 -11.208 -17.910 -0.337 1.00 0.00 H new ATOM 59 N GLY A 7 -8.458 -14.464 -2.444 1.00 0.00 N ATOM 60 CA GLY A 7 -7.343 -13.793 -3.086 1.00 0.00 C ATOM 61 C GLY A 7 -6.186 -13.551 -2.137 1.00 0.00 C ATOM 62 O GLY A 7 -6.296 -13.754 -0.927 1.00 0.00 O ATOM 0 H GLY A 7 -8.559 -14.270 -1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.998 -14.393 -3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.682 -12.840 -3.491 1.00 0.00 H new ATOM 66 N PRO A 8 -5.046 -13.109 -2.687 1.00 0.00 N ATOM 67 CA PRO A 8 -3.842 -12.831 -1.898 1.00 0.00 C ATOM 68 C PRO A 8 -4.002 -11.604 -1.007 1.00 0.00 C ATOM 69 O PRO A 8 -3.716 -11.651 0.189 1.00 0.00 O ATOM 70 CB PRO A 8 -2.770 -12.583 -2.962 1.00 0.00 C ATOM 71 CG PRO A 8 -3.526 -12.123 -4.161 1.00 0.00 C ATOM 72 CD PRO A 8 -4.844 -12.845 -4.121 1.00 0.00 C ATOM 0 HA PRO A 8 -3.605 -13.648 -1.216 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.053 -11.831 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.205 -13.491 -3.174 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.672 -11.043 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.982 -12.353 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.648 -12.236 -4.535 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.814 -13.769 -4.699 1.00 0.00 H new ATOM 80 N VAL A 9 -4.463 -10.506 -1.598 1.00 0.00 N ATOM 81 CA VAL A 9 -4.664 -9.267 -0.857 1.00 0.00 C ATOM 82 C VAL A 9 -6.120 -8.821 -0.916 1.00 0.00 C ATOM 83 O VAL A 9 -6.729 -8.788 -1.985 1.00 0.00 O ATOM 84 CB VAL A 9 -3.770 -8.136 -1.402 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.694 -8.200 -2.920 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.286 -6.781 -0.942 1.00 0.00 C ATOM 0 H VAL A 9 -4.704 -10.450 -2.587 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.391 -9.470 0.179 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.763 -8.269 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.059 -7.394 -3.287 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.275 -9.159 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.694 -8.093 -3.339 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.643 -5.994 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.303 -6.636 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.283 -6.741 0.147 1.00 0.00 H new ATOM 96 N LYS A 10 -6.675 -8.477 0.242 1.00 0.00 N ATOM 97 CA LYS A 10 -8.061 -8.030 0.324 1.00 0.00 C ATOM 98 C LYS A 10 -8.248 -6.702 -0.402 1.00 0.00 C ATOM 99 O LYS A 10 -7.335 -5.878 -0.456 1.00 0.00 O ATOM 100 CB LYS A 10 -8.487 -7.888 1.787 1.00 0.00 C ATOM 101 CG LYS A 10 -9.930 -8.286 2.041 1.00 0.00 C ATOM 102 CD LYS A 10 -10.870 -7.102 1.888 1.00 0.00 C ATOM 103 CE LYS A 10 -12.325 -7.523 2.026 1.00 0.00 C ATOM 104 NZ LYS A 10 -13.243 -6.589 1.317 1.00 0.00 N ATOM 0 H LYS A 10 -6.186 -8.499 1.137 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.688 -8.780 -0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.835 -8.502 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.344 -6.854 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.219 -9.074 1.345 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -10.023 -8.698 3.046 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.635 -6.350 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.716 -6.637 0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.451 -8.529 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.593 -7.563 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.004 -7.131 0.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.655 -5.922 2.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.712 -6.061 0.595 1.00 0.00 H new ATOM 118 N VAL A 11 -9.438 -6.499 -0.959 1.00 0.00 N ATOM 119 CA VAL A 11 -9.747 -5.270 -1.679 1.00 0.00 C ATOM 120 C VAL A 11 -10.777 -4.436 -0.927 1.00 0.00 C ATOM 121 O VAL A 11 -11.969 -4.747 -0.933 1.00 0.00 O ATOM 122 CB VAL A 11 -10.277 -5.566 -3.094 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.628 -4.274 -3.815 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.257 -6.369 -3.888 1.00 0.00 C ATOM 0 H VAL A 11 -10.204 -7.171 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.816 -4.708 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.185 -6.162 -3.005 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.001 -4.504 -4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.397 -3.742 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.739 -3.649 -3.895 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.648 -6.569 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.330 -5.801 -3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.061 -7.313 -3.379 1.00 0.00 H new ATOM 134 N LEU A 12 -10.311 -3.374 -0.279 1.00 0.00 N ATOM 135 CA LEU A 12 -11.192 -2.492 0.479 1.00 0.00 C ATOM 136 C LEU A 12 -11.818 -1.437 -0.427 1.00 0.00 C ATOM 137 O LEU A 12 -11.200 -0.986 -1.392 1.00 0.00 O ATOM 138 CB LEU A 12 -10.418 -1.814 1.611 1.00 0.00 C ATOM 139 CG LEU A 12 -9.590 -2.738 2.505 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.611 -1.931 3.344 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.498 -3.572 3.397 1.00 0.00 C ATOM 0 H LEU A 12 -9.328 -3.103 -0.263 1.00 0.00 H new ATOM 0 HA LEU A 12 -11.991 -3.098 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.751 -1.071 1.174 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.128 -1.275 2.238 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.020 -3.414 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -8.030 -2.605 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.939 -1.378 2.688 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.161 -1.231 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.891 -4.223 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.095 -2.912 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.159 -4.178 2.778 1.00 0.00 H new ATOM 153 N VAL A 13 -13.049 -1.046 -0.110 1.00 0.00 N ATOM 154 CA VAL A 13 -13.757 -0.041 -0.894 1.00 0.00 C ATOM 155 C VAL A 13 -14.270 1.087 -0.006 1.00 0.00 C ATOM 156 O VAL A 13 -14.318 0.957 1.216 1.00 0.00 O ATOM 157 CB VAL A 13 -14.944 -0.659 -1.656 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.452 -1.465 -2.848 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.782 -1.524 -0.727 1.00 0.00 C ATOM 0 H VAL A 13 -13.576 -1.410 0.684 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.043 0.362 -1.612 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.574 0.149 -2.029 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.305 -1.894 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.899 -0.813 -3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.799 -2.266 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.616 -1.952 -1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.165 -2.326 -0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.166 -0.914 0.091 1.00 0.00 H new ATOM 169 N GLY A 14 -14.653 2.197 -0.630 1.00 0.00 N ATOM 170 CA GLY A 14 -15.157 3.333 0.118 1.00 0.00 C ATOM 171 C GLY A 14 -16.473 3.034 0.810 1.00 0.00 C ATOM 172 O GLY A 14 -17.024 3.885 1.507 1.00 0.00 O ATOM 0 H GLY A 14 -14.623 2.329 -1.641 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.418 3.631 0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.289 4.179 -0.557 1.00 0.00 H new ATOM 176 N LYS A 15 -16.979 1.821 0.615 1.00 0.00 N ATOM 177 CA LYS A 15 -18.239 1.411 1.223 1.00 0.00 C ATOM 178 C LYS A 15 -17.999 0.755 2.580 1.00 0.00 C ATOM 179 O LYS A 15 -18.537 1.195 3.595 1.00 0.00 O ATOM 180 CB LYS A 15 -18.983 0.442 0.302 1.00 0.00 C ATOM 181 CG LYS A 15 -20.210 -0.185 0.941 1.00 0.00 C ATOM 182 CD LYS A 15 -21.451 0.663 0.714 1.00 0.00 C ATOM 183 CE LYS A 15 -21.852 0.683 -0.753 1.00 0.00 C ATOM 184 NZ LYS A 15 -21.228 1.821 -1.483 1.00 0.00 N ATOM 0 H LYS A 15 -16.535 1.104 0.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.849 2.302 1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.285 0.972 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.300 -0.349 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.368 -1.181 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -20.042 -0.307 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -22.274 0.272 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -21.265 1.681 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.557 -0.255 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -22.937 0.752 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.970 2.393 -1.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.694 2.412 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -20.583 1.454 -2.212 1.00 0.00 H new ATOM 198 N ASN A 16 -17.187 -0.297 2.589 1.00 0.00 N ATOM 199 CA ASN A 16 -16.876 -1.011 3.821 1.00 0.00 C ATOM 200 C ASN A 16 -15.375 -0.999 4.093 1.00 0.00 C ATOM 201 O ASN A 16 -14.817 -1.972 4.602 1.00 0.00 O ATOM 202 CB ASN A 16 -17.379 -2.454 3.740 1.00 0.00 C ATOM 203 CG ASN A 16 -16.706 -3.239 2.630 1.00 0.00 C ATOM 204 OD1 ASN A 16 -17.237 -3.352 1.525 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.532 -3.786 2.920 1.00 0.00 N ATOM 0 H ASN A 16 -16.733 -0.674 1.757 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.380 -0.503 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.201 -2.952 4.693 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.457 -2.452 3.578 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -15.032 -4.326 2.213 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.129 -3.666 3.849 1.00 0.00 H new ATOM 212 N PHE A 17 -14.726 0.109 3.751 1.00 0.00 N ATOM 213 CA PHE A 17 -13.289 0.249 3.957 1.00 0.00 C ATOM 214 C PHE A 17 -12.947 0.213 5.444 1.00 0.00 C ATOM 215 O PHE A 17 -12.223 -0.669 5.903 1.00 0.00 O ATOM 216 CB PHE A 17 -12.789 1.556 3.339 1.00 0.00 C ATOM 217 CG PHE A 17 -11.623 2.158 4.071 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.380 1.546 4.043 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.770 3.335 4.786 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.306 2.097 4.717 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.700 3.891 5.461 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.466 3.272 5.425 1.00 0.00 C ATOM 0 H PHE A 17 -15.173 0.924 3.330 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.793 -0.589 3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.502 1.373 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.607 2.276 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.249 0.629 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.732 3.824 4.816 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.343 1.609 4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.829 4.809 6.016 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.628 3.706 5.950 1.00 0.00 H new ATOM 232 N GLU A 18 -13.475 1.179 6.190 1.00 0.00 N ATOM 233 CA GLU A 18 -13.224 1.258 7.624 1.00 0.00 C ATOM 234 C GLU A 18 -13.774 0.029 8.342 1.00 0.00 C ATOM 235 O GLU A 18 -13.240 -0.396 9.366 1.00 0.00 O ATOM 236 CB GLU A 18 -13.854 2.526 8.205 1.00 0.00 C ATOM 237 CG GLU A 18 -13.108 3.798 7.840 1.00 0.00 C ATOM 238 CD GLU A 18 -13.703 5.031 8.493 1.00 0.00 C ATOM 239 OE1 GLU A 18 -13.651 5.129 9.736 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.222 5.898 7.758 1.00 0.00 O ATOM 0 H GLU A 18 -14.078 1.916 5.825 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.145 1.294 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.883 2.604 7.853 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.894 2.437 9.291 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.064 3.701 8.139 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.119 3.923 6.757 1.00 0.00 H new ATOM 247 N ASP A 19 -14.846 -0.537 7.796 1.00 0.00 N ATOM 248 CA ASP A 19 -15.469 -1.717 8.383 1.00 0.00 C ATOM 249 C ASP A 19 -14.490 -2.887 8.420 1.00 0.00 C ATOM 250 O ASP A 19 -14.480 -3.671 9.369 1.00 0.00 O ATOM 251 CB ASP A 19 -16.718 -2.107 7.591 1.00 0.00 C ATOM 252 CG ASP A 19 -17.769 -2.773 8.458 1.00 0.00 C ATOM 253 OD1 ASP A 19 -18.316 -2.095 9.352 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.043 -3.973 8.243 1.00 0.00 O ATOM 0 H ASP A 19 -15.301 -0.197 6.948 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.757 -1.475 9.406 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.144 -1.217 7.128 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.436 -2.782 6.783 1.00 0.00 H new ATOM 259 N VAL A 20 -13.669 -2.998 7.381 1.00 0.00 N ATOM 260 CA VAL A 20 -12.686 -4.072 7.295 1.00 0.00 C ATOM 261 C VAL A 20 -11.312 -3.597 7.753 1.00 0.00 C ATOM 262 O VAL A 20 -10.725 -4.159 8.677 1.00 0.00 O ATOM 263 CB VAL A 20 -12.576 -4.618 5.860 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.328 -5.474 5.708 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.823 -5.410 5.495 1.00 0.00 C ATOM 0 H VAL A 20 -13.665 -2.358 6.587 1.00 0.00 H new ATOM 0 HA VAL A 20 -13.030 -4.869 7.954 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.494 -3.775 5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.268 -5.851 4.687 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.445 -4.872 5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.375 -6.313 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.729 -5.789 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.937 -6.247 6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.698 -4.763 5.562 1.00 0.00 H new ATOM 275 N ALA A 21 -10.804 -2.556 7.100 1.00 0.00 N ATOM 276 CA ALA A 21 -9.499 -2.003 7.441 1.00 0.00 C ATOM 277 C ALA A 21 -9.360 -1.814 8.948 1.00 0.00 C ATOM 278 O ALA A 21 -8.504 -2.429 9.585 1.00 0.00 O ATOM 279 CB ALA A 21 -9.280 -0.682 6.719 1.00 0.00 C ATOM 0 H ALA A 21 -11.277 -2.079 6.332 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.736 -2.711 7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.302 -0.281 6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.327 -0.844 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.054 0.026 7.014 1.00 0.00 H new ATOM 285 N PHE A 22 -10.206 -0.959 9.513 1.00 0.00 N ATOM 286 CA PHE A 22 -10.177 -0.687 10.945 1.00 0.00 C ATOM 287 C PHE A 22 -10.829 -1.823 11.728 1.00 0.00 C ATOM 288 O PHE A 22 -12.032 -1.798 11.992 1.00 0.00 O ATOM 289 CB PHE A 22 -10.889 0.633 11.250 1.00 0.00 C ATOM 290 CG PHE A 22 -10.067 1.847 10.924 1.00 0.00 C ATOM 291 CD1 PHE A 22 -8.739 1.926 11.314 1.00 0.00 C ATOM 292 CD2 PHE A 22 -10.621 2.908 10.227 1.00 0.00 C ATOM 293 CE1 PHE A 22 -7.981 3.042 11.015 1.00 0.00 C ATOM 294 CE2 PHE A 22 -9.868 4.027 9.925 1.00 0.00 C ATOM 295 CZ PHE A 22 -8.546 4.094 10.319 1.00 0.00 C ATOM 0 H PHE A 22 -10.921 -0.442 9.000 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.134 -0.609 11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -11.821 0.673 10.686 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.155 0.657 12.307 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.292 1.107 11.857 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.654 2.860 9.916 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.948 3.092 11.325 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -10.313 4.848 9.382 1.00 0.00 H new ATOM 0 HZ PHE A 22 -7.955 4.967 10.084 1.00 0.00 H new ATOM 305 N ASP A 23 -10.028 -2.816 12.095 1.00 0.00 N ATOM 306 CA ASP A 23 -10.526 -3.962 12.848 1.00 0.00 C ATOM 307 C ASP A 23 -9.682 -4.200 14.096 1.00 0.00 C ATOM 308 O ASP A 23 -8.498 -4.521 14.004 1.00 0.00 O ATOM 309 CB ASP A 23 -10.526 -5.215 11.971 1.00 0.00 C ATOM 310 CG ASP A 23 -11.299 -6.359 12.597 1.00 0.00 C ATOM 311 OD1 ASP A 23 -10.734 -7.048 13.472 1.00 0.00 O ATOM 312 OD2 ASP A 23 -12.469 -6.566 12.212 1.00 0.00 O ATOM 0 H ASP A 23 -9.031 -2.851 11.884 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.548 -3.745 13.158 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.960 -4.976 11.000 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.498 -5.530 11.792 1.00 0.00 H new ATOM 317 N GLU A 24 -10.300 -4.039 15.262 1.00 0.00 N ATOM 318 CA GLU A 24 -9.604 -4.235 16.529 1.00 0.00 C ATOM 319 C GLU A 24 -8.977 -5.625 16.595 1.00 0.00 C ATOM 320 O GLU A 24 -9.446 -6.563 15.950 1.00 0.00 O ATOM 321 CB GLU A 24 -10.569 -4.043 17.701 1.00 0.00 C ATOM 322 CG GLU A 24 -11.586 -5.162 17.842 1.00 0.00 C ATOM 323 CD GLU A 24 -12.451 -5.324 16.608 1.00 0.00 C ATOM 324 OE1 GLU A 24 -13.108 -4.339 16.211 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.471 -6.435 16.038 1.00 0.00 O ATOM 0 H GLU A 24 -11.280 -3.774 15.356 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.809 -3.492 16.597 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.995 -3.967 18.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.097 -3.098 17.575 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.065 -6.098 18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.223 -4.962 18.704 1.00 0.00 H new ATOM 332 N LYS A 25 -7.911 -5.749 17.379 1.00 0.00 N ATOM 333 CA LYS A 25 -7.217 -7.022 17.532 1.00 0.00 C ATOM 334 C LYS A 25 -6.782 -7.571 16.177 1.00 0.00 C ATOM 335 O LYS A 25 -6.695 -8.784 15.985 1.00 0.00 O ATOM 336 CB LYS A 25 -8.119 -8.036 18.239 1.00 0.00 C ATOM 337 CG LYS A 25 -8.532 -7.612 19.637 1.00 0.00 C ATOM 338 CD LYS A 25 -7.403 -7.809 20.636 1.00 0.00 C ATOM 339 CE LYS A 25 -7.278 -9.267 21.054 1.00 0.00 C ATOM 340 NZ LYS A 25 -5.948 -9.558 21.657 1.00 0.00 N ATOM 0 H LYS A 25 -7.509 -4.982 17.919 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.327 -6.852 18.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.014 -8.195 17.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.600 -8.993 18.297 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.831 -6.564 19.627 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.402 -8.189 19.951 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.464 -7.473 20.196 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.582 -7.191 21.516 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.063 -9.508 21.771 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.432 -9.908 20.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.902 -10.561 21.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.200 -9.352 20.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.812 -8.964 22.500 1.00 0.00 H new ATOM 354 N LYS A 26 -6.509 -6.671 15.239 1.00 0.00 N ATOM 355 CA LYS A 26 -6.080 -7.063 13.902 1.00 0.00 C ATOM 356 C LYS A 26 -5.292 -5.942 13.232 1.00 0.00 C ATOM 357 O LYS A 26 -5.797 -4.833 13.060 1.00 0.00 O ATOM 358 CB LYS A 26 -7.291 -7.434 13.043 1.00 0.00 C ATOM 359 CG LYS A 26 -6.980 -7.529 11.560 1.00 0.00 C ATOM 360 CD LYS A 26 -6.390 -8.882 11.200 1.00 0.00 C ATOM 361 CE LYS A 26 -7.456 -9.966 11.174 1.00 0.00 C ATOM 362 NZ LYS A 26 -6.885 -11.299 10.833 1.00 0.00 N ATOM 0 H LYS A 26 -6.577 -5.663 15.380 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.430 -7.933 13.997 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.688 -8.390 13.384 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.074 -6.691 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.891 -7.364 10.985 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.280 -6.740 11.283 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.907 -8.822 10.225 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.618 -9.147 11.922 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.944 -10.018 12.147 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.224 -9.703 10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.231 -11.596 9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.847 -11.238 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.178 -11.995 11.548 1.00 0.00 H new ATOM 376 N ASN A 27 -4.053 -6.239 12.853 1.00 0.00 N ATOM 377 CA ASN A 27 -3.197 -5.256 12.201 1.00 0.00 C ATOM 378 C ASN A 27 -3.351 -5.322 10.684 1.00 0.00 C ATOM 379 O ASN A 27 -2.725 -6.149 10.021 1.00 0.00 O ATOM 380 CB ASN A 27 -1.734 -5.487 12.587 1.00 0.00 C ATOM 381 CG ASN A 27 -1.540 -5.578 14.088 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.579 -6.795 14.617 1.00 0.00 O flip ATOM 383 ND2 ASN A 27 -1.356 -4.565 14.763 1.00 0.00 N flip ATOM 0 H ASN A 27 -3.620 -7.153 12.986 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.502 -4.265 12.537 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.379 -6.406 12.121 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.124 -4.674 12.193 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.334 -3.650 14.313 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.226 -4.641 15.772 1.00 0.00 H new ATOM 390 N VAL A 28 -4.187 -4.443 10.141 1.00 0.00 N ATOM 391 CA VAL A 28 -4.423 -4.399 8.703 1.00 0.00 C ATOM 392 C VAL A 28 -3.572 -3.322 8.040 1.00 0.00 C ATOM 393 O VAL A 28 -3.552 -2.173 8.480 1.00 0.00 O ATOM 394 CB VAL A 28 -5.907 -4.135 8.385 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.120 -4.030 6.883 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.782 -5.227 8.981 1.00 0.00 C ATOM 0 H VAL A 28 -4.712 -3.751 10.676 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.143 -5.375 8.306 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.194 -3.185 8.836 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.174 -3.843 6.677 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.522 -3.209 6.487 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.817 -4.962 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.827 -5.024 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.496 -6.192 8.561 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.650 -5.249 10.063 1.00 0.00 H new ATOM 406 N PHE A 29 -2.871 -3.701 6.977 1.00 0.00 N ATOM 407 CA PHE A 29 -2.017 -2.767 6.251 1.00 0.00 C ATOM 408 C PHE A 29 -2.623 -2.417 4.896 1.00 0.00 C ATOM 409 O PHE A 29 -2.511 -3.180 3.937 1.00 0.00 O ATOM 410 CB PHE A 29 -0.621 -3.363 6.060 1.00 0.00 C ATOM 411 CG PHE A 29 0.352 -2.416 5.419 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.140 -1.047 5.465 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.480 -2.894 4.770 1.00 0.00 C ATOM 414 CE1 PHE A 29 1.034 -0.173 4.877 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.377 -2.024 4.180 1.00 0.00 C ATOM 416 CZ PHE A 29 2.153 -0.662 4.232 1.00 0.00 C ATOM 0 H PHE A 29 -2.877 -4.648 6.599 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.937 -1.853 6.840 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.230 -3.671 7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.699 -4.261 5.447 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.734 -0.659 5.966 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.660 -3.958 4.725 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.858 0.892 4.922 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.253 -2.409 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.852 0.019 3.769 1.00 0.00 H new ATOM 426 N VAL A 30 -3.267 -1.256 4.824 1.00 0.00 N ATOM 427 CA VAL A 30 -3.891 -0.803 3.587 1.00 0.00 C ATOM 428 C VAL A 30 -2.871 -0.143 2.667 1.00 0.00 C ATOM 429 O VAL A 30 -1.831 0.335 3.119 1.00 0.00 O ATOM 430 CB VAL A 30 -5.034 0.192 3.866 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.805 0.491 2.590 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.960 -0.351 4.944 1.00 0.00 C ATOM 0 H VAL A 30 -3.370 -0.612 5.608 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.300 -1.687 3.097 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.601 1.125 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.608 1.195 2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.131 0.925 1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.229 -0.433 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.762 0.364 5.129 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.387 -1.298 4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.395 -0.509 5.863 1.00 0.00 H new ATOM 442 N GLU A 31 -3.176 -0.119 1.373 1.00 0.00 N ATOM 443 CA GLU A 31 -2.285 0.483 0.389 1.00 0.00 C ATOM 444 C GLU A 31 -3.068 1.339 -0.602 1.00 0.00 C ATOM 445 O GLU A 31 -3.741 0.819 -1.492 1.00 0.00 O ATOM 446 CB GLU A 31 -1.508 -0.602 -0.360 1.00 0.00 C ATOM 447 CG GLU A 31 -0.948 -0.139 -1.694 1.00 0.00 C ATOM 448 CD GLU A 31 -0.424 -1.286 -2.536 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.238 -1.934 -3.227 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.799 -1.536 -2.505 1.00 0.00 O ATOM 0 H GLU A 31 -4.033 -0.510 0.982 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.580 1.124 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.687 -0.949 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.164 -1.456 -0.528 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.726 0.387 -2.247 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.143 0.575 -1.518 1.00 0.00 H new ATOM 457 N PHE A 32 -2.974 2.655 -0.441 1.00 0.00 N ATOM 458 CA PHE A 32 -3.674 3.584 -1.320 1.00 0.00 C ATOM 459 C PHE A 32 -2.903 3.788 -2.621 1.00 0.00 C ATOM 460 O PHE A 32 -1.955 4.571 -2.677 1.00 0.00 O ATOM 461 CB PHE A 32 -3.877 4.929 -0.618 1.00 0.00 C ATOM 462 CG PHE A 32 -4.754 4.844 0.599 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.132 4.923 0.482 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.200 4.685 1.859 1.00 0.00 C ATOM 465 CE1 PHE A 32 -6.942 4.845 1.599 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.005 4.606 2.979 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.377 4.687 2.850 1.00 0.00 C ATOM 0 H PHE A 32 -2.420 3.102 0.290 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.648 3.156 -1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.905 5.329 -0.328 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.315 5.635 -1.323 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.579 5.047 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.127 4.622 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.015 4.907 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.561 4.481 3.955 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.007 4.627 3.725 1.00 0.00 H new ATOM 477 N TYR A 33 -3.317 3.078 -3.664 1.00 0.00 N ATOM 478 CA TYR A 33 -2.664 3.177 -4.964 1.00 0.00 C ATOM 479 C TYR A 33 -3.530 3.955 -5.950 1.00 0.00 C ATOM 480 O TYR A 33 -4.683 4.276 -5.662 1.00 0.00 O ATOM 481 CB TYR A 33 -2.368 1.783 -5.518 1.00 0.00 C ATOM 482 CG TYR A 33 -3.607 1.018 -5.926 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.234 1.267 -7.140 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.150 0.044 -5.096 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.366 0.571 -7.516 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.282 -0.658 -5.465 1.00 0.00 C ATOM 487 CZ TYR A 33 -5.886 -0.390 -6.676 1.00 0.00 C ATOM 488 OH TYR A 33 -7.013 -1.087 -7.047 1.00 0.00 O ATOM 0 H TYR A 33 -4.102 2.427 -3.635 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.725 3.714 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.708 1.877 -6.381 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.828 1.209 -4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.829 2.018 -7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.680 -0.168 -4.147 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.841 0.779 -8.463 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.691 -1.412 -4.809 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.248 -1.728 -6.344 1.00 0.00 H new ATOM 498 N ALA A 34 -2.966 4.254 -7.115 1.00 0.00 N ATOM 499 CA ALA A 34 -3.685 4.992 -8.146 1.00 0.00 C ATOM 500 C ALA A 34 -3.620 4.267 -9.486 1.00 0.00 C ATOM 501 O ALA A 34 -2.574 3.764 -9.897 1.00 0.00 O ATOM 502 CB ALA A 34 -3.124 6.400 -8.277 1.00 0.00 C ATOM 0 H ALA A 34 -2.012 3.996 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.731 5.057 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.671 6.939 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.229 6.923 -7.327 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.069 6.348 -8.548 1.00 0.00 H new ATOM 508 N PRO A 35 -4.763 4.211 -10.186 1.00 0.00 N ATOM 509 CA PRO A 35 -4.861 3.550 -11.491 1.00 0.00 C ATOM 510 C PRO A 35 -4.115 4.309 -12.583 1.00 0.00 C ATOM 511 O PRO A 35 -4.064 3.871 -13.732 1.00 0.00 O ATOM 512 CB PRO A 35 -6.365 3.546 -11.774 1.00 0.00 C ATOM 513 CG PRO A 35 -6.901 4.695 -10.992 1.00 0.00 C ATOM 514 CD PRO A 35 -6.048 4.790 -9.758 1.00 0.00 C ATOM 0 HA PRO A 35 -4.413 2.556 -11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.568 3.663 -12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.824 2.607 -11.463 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.853 5.617 -11.571 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.947 4.536 -10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -5.933 5.822 -9.427 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.482 4.235 -8.926 1.00 0.00 H new ATOM 522 N TRP A 36 -3.537 5.447 -12.216 1.00 0.00 N ATOM 523 CA TRP A 36 -2.793 6.267 -13.166 1.00 0.00 C ATOM 524 C TRP A 36 -1.361 6.484 -12.692 1.00 0.00 C ATOM 525 O TRP A 36 -0.448 6.652 -13.501 1.00 0.00 O ATOM 526 CB TRP A 36 -3.489 7.615 -13.362 1.00 0.00 C ATOM 527 CG TRP A 36 -4.273 8.059 -12.165 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.590 7.807 -11.908 1.00 0.00 C ATOM 529 CD2 TRP A 36 -3.788 8.833 -11.062 1.00 0.00 C ATOM 530 NE1 TRP A 36 -5.954 8.379 -10.713 1.00 0.00 N ATOM 531 CE2 TRP A 36 -4.867 9.013 -10.174 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.549 9.390 -10.738 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -4.740 9.727 -8.985 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.425 10.099 -9.558 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.515 10.262 -8.693 1.00 0.00 C ATOM 0 H TRP A 36 -3.569 5.823 -11.268 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.764 5.739 -14.119 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.740 8.371 -13.598 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.157 7.549 -14.221 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.249 7.241 -12.550 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.884 8.338 -10.295 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.703 9.269 -11.398 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.579 9.854 -8.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.472 10.535 -9.298 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.386 10.821 -7.778 1.00 0.00 H new ATOM 546 N CYS A 37 -1.170 6.480 -11.377 1.00 0.00 N ATOM 547 CA CYS A 37 0.153 6.678 -10.796 1.00 0.00 C ATOM 548 C CYS A 37 1.138 5.637 -11.318 1.00 0.00 C ATOM 549 O CYS A 37 1.049 4.458 -10.979 1.00 0.00 O ATOM 550 CB CYS A 37 0.078 6.606 -9.270 1.00 0.00 C ATOM 551 SG CYS A 37 1.680 6.748 -8.444 1.00 0.00 S ATOM 0 H CYS A 37 -1.914 6.342 -10.693 1.00 0.00 H new ATOM 0 HA CYS A 37 0.507 7.666 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.575 7.401 -8.911 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.384 5.661 -8.984 1.00 0.00 H new ATOM 0 HG CYS A 37 1.750 7.890 -7.827 1.00 0.00 H new ATOM 557 N GLY A 38 2.076 6.082 -12.149 1.00 0.00 N ATOM 558 CA GLY A 38 3.063 5.176 -12.706 1.00 0.00 C ATOM 559 C GLY A 38 3.724 4.316 -11.648 1.00 0.00 C ATOM 560 O GLY A 38 3.993 3.136 -11.875 1.00 0.00 O ATOM 0 H GLY A 38 2.170 7.053 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.585 4.533 -13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.826 5.752 -13.230 1.00 0.00 H new ATOM 564 N HIS A 39 3.989 4.907 -10.487 1.00 0.00 N ATOM 565 CA HIS A 39 4.624 4.187 -9.390 1.00 0.00 C ATOM 566 C HIS A 39 3.754 3.022 -8.928 1.00 0.00 C ATOM 567 O HIS A 39 4.260 1.947 -8.604 1.00 0.00 O ATOM 568 CB HIS A 39 4.893 5.133 -8.219 1.00 0.00 C ATOM 569 CG HIS A 39 6.202 5.855 -8.320 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.430 7.084 -7.738 1.00 0.00 N ATOM 571 CD2 HIS A 39 7.356 5.513 -8.939 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.668 7.468 -7.996 1.00 0.00 C ATOM 573 NE2 HIS A 39 8.251 6.532 -8.723 1.00 0.00 N ATOM 0 H HIS A 39 3.774 5.883 -10.282 1.00 0.00 H new ATOM 0 HA HIS A 39 5.572 3.788 -9.751 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.087 5.865 -8.162 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.873 4.563 -7.290 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.539 4.608 -9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.125 8.390 -7.668 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.210 6.561 -9.068 1.00 0.00 H new ATOM 582 N CYS A 40 2.445 3.243 -8.900 1.00 0.00 N ATOM 583 CA CYS A 40 1.504 2.212 -8.477 1.00 0.00 C ATOM 584 C CYS A 40 1.636 0.966 -9.346 1.00 0.00 C ATOM 585 O CYS A 40 1.739 -0.151 -8.838 1.00 0.00 O ATOM 586 CB CYS A 40 0.071 2.743 -8.539 1.00 0.00 C ATOM 587 SG CYS A 40 -1.172 1.475 -8.880 1.00 0.00 S ATOM 0 H CYS A 40 2.011 4.127 -9.165 1.00 0.00 H new ATOM 0 HA CYS A 40 1.739 1.941 -7.448 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.168 3.225 -7.591 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.012 3.511 -9.311 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.202 2.021 -9.456 1.00 0.00 H new ATOM 593 N LYS A 41 1.630 1.164 -10.660 1.00 0.00 N ATOM 594 CA LYS A 41 1.749 0.057 -11.602 1.00 0.00 C ATOM 595 C LYS A 41 2.872 -0.889 -11.191 1.00 0.00 C ATOM 596 O LYS A 41 2.852 -2.073 -11.528 1.00 0.00 O ATOM 597 CB LYS A 41 2.007 0.588 -13.014 1.00 0.00 C ATOM 598 CG LYS A 41 0.759 1.111 -13.705 1.00 0.00 C ATOM 599 CD LYS A 41 1.086 1.731 -15.052 1.00 0.00 C ATOM 600 CE LYS A 41 -0.150 2.333 -15.703 1.00 0.00 C ATOM 601 NZ LYS A 41 -1.099 1.284 -16.168 1.00 0.00 N ATOM 0 H LYS A 41 1.544 2.082 -11.097 1.00 0.00 H new ATOM 0 HA LYS A 41 0.810 -0.497 -11.594 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.746 1.388 -12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.440 -0.208 -13.619 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.049 0.295 -13.842 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.274 1.853 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.844 2.504 -14.924 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.512 0.973 -15.709 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.653 2.988 -14.991 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.150 2.952 -16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.903 1.733 -16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.613 0.644 -16.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.445 0.742 -15.351 1.00 0.00 H new ATOM 615 N GLN A 42 3.848 -0.361 -10.460 1.00 0.00 N ATOM 616 CA GLN A 42 4.978 -1.160 -10.002 1.00 0.00 C ATOM 617 C GLN A 42 4.683 -1.794 -8.647 1.00 0.00 C ATOM 618 O GLN A 42 5.212 -2.857 -8.318 1.00 0.00 O ATOM 619 CB GLN A 42 6.237 -0.296 -9.911 1.00 0.00 C ATOM 620 CG GLN A 42 6.810 0.089 -11.265 1.00 0.00 C ATOM 621 CD GLN A 42 7.696 -0.992 -11.853 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.907 -1.005 -11.633 1.00 0.00 O ATOM 623 NE2 GLN A 42 7.095 -1.906 -12.605 1.00 0.00 N ATOM 0 H GLN A 42 3.879 0.617 -10.172 1.00 0.00 H new ATOM 0 HA GLN A 42 5.144 -1.957 -10.727 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.005 0.611 -9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.997 -0.834 -9.344 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.993 0.298 -11.955 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.385 1.009 -11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.088 -1.856 -12.761 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.640 -2.658 -13.027 1.00 0.00 H new ATOM 632 N LEU A 43 3.836 -1.136 -7.863 1.00 0.00 N ATOM 633 CA LEU A 43 3.471 -1.635 -6.542 1.00 0.00 C ATOM 634 C LEU A 43 2.379 -2.696 -6.643 1.00 0.00 C ATOM 635 O LEU A 43 2.152 -3.458 -5.705 1.00 0.00 O ATOM 636 CB LEU A 43 2.997 -0.484 -5.653 1.00 0.00 C ATOM 637 CG LEU A 43 3.110 -0.710 -4.145 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.570 -0.781 -3.723 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.386 0.392 -3.384 1.00 0.00 C ATOM 0 H LEU A 43 3.389 -0.256 -8.119 1.00 0.00 H new ATOM 0 HA LEU A 43 4.355 -2.090 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.570 0.407 -5.910 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.955 -0.273 -5.891 1.00 0.00 H new ATOM 0 HG LEU A 43 2.637 -1.662 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.630 -0.942 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.059 -1.606 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.068 0.154 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.477 0.215 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.829 1.357 -3.631 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.332 0.395 -3.663 1.00 0.00 H new ATOM 651 N ALA A 44 1.709 -2.739 -7.790 1.00 0.00 N ATOM 652 CA ALA A 44 0.644 -3.709 -8.016 1.00 0.00 C ATOM 653 C ALA A 44 1.119 -5.126 -7.710 1.00 0.00 C ATOM 654 O ALA A 44 0.510 -5.855 -6.927 1.00 0.00 O ATOM 655 CB ALA A 44 0.141 -3.617 -9.449 1.00 0.00 C ATOM 0 H ALA A 44 1.885 -2.114 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.177 -3.474 -7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.654 -4.347 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.245 -2.615 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.961 -3.823 -10.136 1.00 0.00 H new ATOM 661 N PRO A 45 2.231 -5.528 -8.343 1.00 0.00 N ATOM 662 CA PRO A 45 2.811 -6.861 -8.154 1.00 0.00 C ATOM 663 C PRO A 45 3.419 -7.037 -6.766 1.00 0.00 C ATOM 664 O PRO A 45 3.151 -8.026 -6.083 1.00 0.00 O ATOM 665 CB PRO A 45 3.901 -6.929 -9.227 1.00 0.00 C ATOM 666 CG PRO A 45 4.269 -5.508 -9.483 1.00 0.00 C ATOM 667 CD PRO A 45 3.008 -4.712 -9.290 1.00 0.00 C ATOM 0 HA PRO A 45 2.061 -7.647 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.760 -7.505 -8.883 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.535 -7.413 -10.133 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.048 -5.177 -8.796 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.659 -5.382 -10.493 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.216 -3.720 -8.889 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.475 -4.570 -10.230 1.00 0.00 H new ATOM 675 N ILE A 46 4.237 -6.074 -6.357 1.00 0.00 N ATOM 676 CA ILE A 46 4.880 -6.123 -5.050 1.00 0.00 C ATOM 677 C ILE A 46 3.848 -6.231 -3.933 1.00 0.00 C ATOM 678 O ILE A 46 4.029 -6.986 -2.977 1.00 0.00 O ATOM 679 CB ILE A 46 5.756 -4.880 -4.806 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.793 -4.734 -5.922 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.438 -4.970 -3.450 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.164 -3.297 -6.217 1.00 0.00 C ATOM 0 H ILE A 46 4.470 -5.250 -6.912 1.00 0.00 H new ATOM 0 HA ILE A 46 5.513 -7.010 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 46 5.117 -3.997 -4.811 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.693 -5.284 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.405 -5.195 -6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.053 -4.084 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.683 -5.031 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.067 -5.859 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.903 -3.269 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.274 -2.747 -6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.582 -2.838 -5.321 1.00 0.00 H new ATOM 694 N TRP A 47 2.765 -5.473 -4.060 1.00 0.00 N ATOM 695 CA TRP A 47 1.702 -5.484 -3.062 1.00 0.00 C ATOM 696 C TRP A 47 0.960 -6.816 -3.072 1.00 0.00 C ATOM 697 O TRP A 47 0.531 -7.306 -2.027 1.00 0.00 O ATOM 698 CB TRP A 47 0.722 -4.338 -3.317 1.00 0.00 C ATOM 699 CG TRP A 47 -0.185 -4.063 -2.156 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.543 -4.207 -2.125 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.200 -3.594 -0.859 1.00 0.00 C ATOM 702 NE1 TRP A 47 -2.025 -3.856 -0.887 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.976 -3.478 -0.092 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.424 -3.264 -0.271 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.961 -3.044 1.231 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.437 -2.834 1.042 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.251 -2.727 1.781 1.00 0.00 C ATOM 0 H TRP A 47 2.600 -4.843 -4.845 1.00 0.00 H new ATOM 0 HA TRP A 47 2.158 -5.351 -2.081 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.284 -3.434 -3.552 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.118 -4.574 -4.193 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.149 -4.547 -2.952 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -3.005 -3.874 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.343 -3.344 -0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.874 -2.961 1.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.377 -2.576 1.507 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.295 -2.387 2.805 1.00 0.00 H new ATOM 718 N ASP A 48 0.813 -7.397 -4.257 1.00 0.00 N ATOM 719 CA ASP A 48 0.123 -8.674 -4.402 1.00 0.00 C ATOM 720 C ASP A 48 0.980 -9.818 -3.869 1.00 0.00 C ATOM 721 O ASP A 48 0.462 -10.809 -3.356 1.00 0.00 O ATOM 722 CB ASP A 48 -0.228 -8.924 -5.870 1.00 0.00 C ATOM 723 CG ASP A 48 -0.403 -10.398 -6.180 1.00 0.00 C ATOM 724 OD1 ASP A 48 0.620 -11.105 -6.295 1.00 0.00 O ATOM 725 OD2 ASP A 48 -1.562 -10.843 -6.306 1.00 0.00 O ATOM 0 H ASP A 48 1.162 -7.005 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.797 -8.631 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.147 -8.392 -6.117 1.00 0.00 H new ATOM 0 HB3 ASP A 48 0.558 -8.513 -6.504 1.00 0.00 H new ATOM 730 N LYS A 49 2.295 -9.674 -3.996 1.00 0.00 N ATOM 731 CA LYS A 49 3.225 -10.694 -3.527 1.00 0.00 C ATOM 732 C LYS A 49 3.331 -10.676 -2.005 1.00 0.00 C ATOM 733 O LYS A 49 3.649 -11.691 -1.383 1.00 0.00 O ATOM 734 CB LYS A 49 4.607 -10.477 -4.148 1.00 0.00 C ATOM 735 CG LYS A 49 4.681 -10.858 -5.616 1.00 0.00 C ATOM 736 CD LYS A 49 5.711 -10.022 -6.358 1.00 0.00 C ATOM 737 CE LYS A 49 7.119 -10.559 -6.150 1.00 0.00 C ATOM 738 NZ LYS A 49 8.126 -9.792 -6.934 1.00 0.00 N ATOM 0 H LYS A 49 2.741 -8.860 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 49 2.843 -11.667 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.884 -9.429 -4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.341 -11.060 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.935 -11.914 -5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.702 -10.725 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.477 -10.015 -7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.660 -8.989 -6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.372 -10.514 -5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.154 -11.609 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.073 -10.188 -6.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.899 -9.856 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.111 -8.795 -6.638 1.00 0.00 H new ATOM 752 N LEU A 50 3.062 -9.519 -1.412 1.00 0.00 N ATOM 753 CA LEU A 50 3.125 -9.369 0.038 1.00 0.00 C ATOM 754 C LEU A 50 1.808 -9.781 0.686 1.00 0.00 C ATOM 755 O LEU A 50 1.791 -10.347 1.779 1.00 0.00 O ATOM 756 CB LEU A 50 3.458 -7.923 0.407 1.00 0.00 C ATOM 757 CG LEU A 50 2.913 -7.430 1.748 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.676 -8.064 2.900 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.987 -5.912 1.829 1.00 0.00 C ATOM 0 H LEU A 50 2.798 -8.670 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 50 3.913 -10.023 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.542 -7.812 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.077 -7.271 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 50 1.867 -7.727 1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.274 -7.701 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.571 -9.148 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.731 -7.798 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.595 -5.579 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.024 -5.593 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.395 -5.475 1.025 1.00 0.00 H new ATOM 771 N GLY A 51 0.703 -9.496 0.003 1.00 0.00 N ATOM 772 CA GLY A 51 -0.604 -9.845 0.527 1.00 0.00 C ATOM 773 C GLY A 51 -0.767 -11.339 0.731 1.00 0.00 C ATOM 774 O GLY A 51 -1.262 -11.779 1.767 1.00 0.00 O ATOM 0 H GLY A 51 0.690 -9.030 -0.904 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.760 -9.333 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.374 -9.489 -0.158 1.00 0.00 H new ATOM 778 N GLU A 52 -0.350 -12.119 -0.262 1.00 0.00 N ATOM 779 CA GLU A 52 -0.454 -13.571 -0.186 1.00 0.00 C ATOM 780 C GLU A 52 0.330 -14.112 1.006 1.00 0.00 C ATOM 781 O GLU A 52 -0.010 -15.154 1.567 1.00 0.00 O ATOM 782 CB GLU A 52 0.058 -14.210 -1.479 1.00 0.00 C ATOM 783 CG GLU A 52 1.571 -14.342 -1.535 1.00 0.00 C ATOM 784 CD GLU A 52 2.041 -15.167 -2.717 1.00 0.00 C ATOM 785 OE1 GLU A 52 1.651 -14.843 -3.858 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.797 -16.137 -2.500 1.00 0.00 O ATOM 0 H GLU A 52 0.062 -11.770 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.505 -13.827 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.389 -15.198 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.278 -13.613 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.017 -13.349 -1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.926 -14.801 -0.612 1.00 0.00 H new ATOM 793 N THR A 53 1.383 -13.396 1.389 1.00 0.00 N ATOM 794 CA THR A 53 2.217 -13.803 2.512 1.00 0.00 C ATOM 795 C THR A 53 1.439 -13.748 3.822 1.00 0.00 C ATOM 796 O THR A 53 1.567 -14.632 4.669 1.00 0.00 O ATOM 797 CB THR A 53 3.469 -12.915 2.633 1.00 0.00 C ATOM 798 OG1 THR A 53 4.222 -12.961 1.416 1.00 0.00 O ATOM 799 CG2 THR A 53 4.343 -13.367 3.794 1.00 0.00 C ATOM 0 H THR A 53 1.678 -12.531 0.937 1.00 0.00 H new ATOM 0 HA THR A 53 2.527 -14.830 2.320 1.00 0.00 H new ATOM 0 HB THR A 53 3.145 -11.891 2.820 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.769 -12.427 0.731 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.221 -12.725 3.860 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.776 -13.303 4.723 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.658 -14.398 3.632 1.00 0.00 H new ATOM 807 N TYR A 54 0.634 -12.703 3.983 1.00 0.00 N ATOM 808 CA TYR A 54 -0.163 -12.532 5.192 1.00 0.00 C ATOM 809 C TYR A 54 -1.651 -12.673 4.888 1.00 0.00 C ATOM 810 O TYR A 54 -2.488 -12.011 5.502 1.00 0.00 O ATOM 811 CB TYR A 54 0.114 -11.165 5.820 1.00 0.00 C ATOM 812 CG TYR A 54 1.578 -10.911 6.097 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.439 -10.517 5.080 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.101 -11.063 7.375 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.778 -10.285 5.328 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.438 -10.831 7.633 1.00 0.00 C ATOM 817 CZ TYR A 54 4.273 -10.443 6.606 1.00 0.00 C ATOM 818 OH TYR A 54 5.606 -10.211 6.858 1.00 0.00 O ATOM 0 H TYR A 54 0.516 -11.962 3.292 1.00 0.00 H new ATOM 0 HA TYR A 54 0.120 -13.313 5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.262 -10.387 5.156 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.443 -11.084 6.753 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.055 -10.390 4.079 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.450 -11.368 8.181 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.434 -9.981 4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.827 -10.953 8.633 1.00 0.00 H new ATOM 0 HH TYR A 54 5.791 -10.366 7.808 1.00 0.00 H new ATOM 828 N LYS A 55 -1.974 -13.541 3.935 1.00 0.00 N ATOM 829 CA LYS A 55 -3.361 -13.772 3.548 1.00 0.00 C ATOM 830 C LYS A 55 -4.069 -14.658 4.568 1.00 0.00 C ATOM 831 O LYS A 55 -5.272 -14.521 4.794 1.00 0.00 O ATOM 832 CB LYS A 55 -3.424 -14.420 2.163 1.00 0.00 C ATOM 833 CG LYS A 55 -3.077 -15.899 2.167 1.00 0.00 C ATOM 834 CD LYS A 55 -2.794 -16.409 0.764 1.00 0.00 C ATOM 835 CE LYS A 55 -1.841 -17.595 0.784 1.00 0.00 C ATOM 836 NZ LYS A 55 -2.549 -18.871 1.076 1.00 0.00 N ATOM 0 H LYS A 55 -1.294 -14.096 3.416 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.869 -12.808 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.427 -14.292 1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.740 -13.897 1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.205 -16.067 2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.900 -16.466 2.602 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.729 -16.700 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.366 -15.607 0.163 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.337 -17.672 -0.179 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.069 -17.428 1.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.865 -19.654 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.009 -18.808 2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.268 -19.044 0.345 1.00 0.00 H new ATOM 850 N ASP A 56 -3.317 -15.564 5.183 1.00 0.00 N ATOM 851 CA ASP A 56 -3.873 -16.470 6.181 1.00 0.00 C ATOM 852 C ASP A 56 -3.251 -16.217 7.551 1.00 0.00 C ATOM 853 O ASP A 56 -3.219 -17.105 8.403 1.00 0.00 O ATOM 854 CB ASP A 56 -3.645 -17.924 5.764 1.00 0.00 C ATOM 855 CG ASP A 56 -4.117 -18.908 6.816 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.285 -18.804 7.244 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.317 -19.783 7.212 1.00 0.00 O ATOM 0 H ASP A 56 -2.320 -15.691 5.008 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.945 -16.283 6.249 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.170 -18.117 4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.584 -18.082 5.573 1.00 0.00 H new ATOM 862 N HIS A 57 -2.756 -15.000 7.755 1.00 0.00 N ATOM 863 CA HIS A 57 -2.134 -14.631 9.021 1.00 0.00 C ATOM 864 C HIS A 57 -3.161 -14.626 10.150 1.00 0.00 C ATOM 865 O HIS A 57 -4.316 -15.000 9.951 1.00 0.00 O ATOM 866 CB HIS A 57 -1.476 -13.255 8.908 1.00 0.00 C ATOM 867 CG HIS A 57 -0.174 -13.152 9.640 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.075 -12.710 10.943 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.089 -13.437 9.244 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.192 -12.728 11.316 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.919 -13.165 10.304 1.00 0.00 N ATOM 0 H HIS A 57 -2.774 -14.254 7.060 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.370 -15.373 9.252 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.311 -13.026 7.855 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.161 -12.501 9.295 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.388 -13.809 8.275 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.569 -12.435 12.285 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.932 -13.282 10.309 1.00 0.00 H new ATOM 880 N GLU A 58 -2.730 -14.200 11.333 1.00 0.00 N ATOM 881 CA GLU A 58 -3.613 -14.148 12.493 1.00 0.00 C ATOM 882 C GLU A 58 -4.042 -12.714 12.787 1.00 0.00 C ATOM 883 O GLU A 58 -5.224 -12.437 12.986 1.00 0.00 O ATOM 884 CB GLU A 58 -2.917 -14.745 13.718 1.00 0.00 C ATOM 885 CG GLU A 58 -1.792 -13.879 14.261 1.00 0.00 C ATOM 886 CD GLU A 58 -0.886 -14.632 15.216 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.247 -15.612 14.781 1.00 0.00 O ATOM 888 OE2 GLU A 58 -0.816 -14.239 16.400 1.00 0.00 O ATOM 0 H GLU A 58 -1.776 -13.886 11.514 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.503 -14.735 12.267 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.655 -14.902 14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.517 -15.724 13.457 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.200 -13.496 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.217 -13.016 14.774 1.00 0.00 H new ATOM 895 N ASN A 59 -3.072 -11.805 12.812 1.00 0.00 N ATOM 896 CA ASN A 59 -3.349 -10.399 13.082 1.00 0.00 C ATOM 897 C ASN A 59 -2.975 -9.531 11.884 1.00 0.00 C ATOM 898 O ASN A 59 -3.571 -8.478 11.658 1.00 0.00 O ATOM 899 CB ASN A 59 -2.581 -9.936 14.321 1.00 0.00 C ATOM 900 CG ASN A 59 -1.085 -9.869 14.083 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.385 -10.949 14.413 1.00 0.00 O flip ATOM 902 ND2 ASN A 59 -0.565 -8.860 13.608 1.00 0.00 N flip ATOM 0 H ASN A 59 -2.088 -12.017 12.649 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.418 -10.293 13.265 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.942 -8.953 14.623 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.784 -10.618 15.147 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.142 -8.053 13.369 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.443 -8.830 13.453 1.00 0.00 H new ATOM 909 N ILE A 60 -1.984 -9.981 11.121 1.00 0.00 N ATOM 910 CA ILE A 60 -1.532 -9.246 9.946 1.00 0.00 C ATOM 911 C ILE A 60 -2.430 -9.524 8.745 1.00 0.00 C ATOM 912 O ILE A 60 -2.472 -10.642 8.233 1.00 0.00 O ATOM 913 CB ILE A 60 -0.080 -9.607 9.581 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.842 -9.378 10.781 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.384 -8.788 8.386 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.267 -9.827 10.542 1.00 0.00 C ATOM 0 H ILE A 60 -1.479 -10.850 11.295 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.583 -8.187 10.197 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.040 -10.662 9.312 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.841 -8.317 11.033 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.442 -9.911 11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.412 -9.054 8.140 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.259 -8.995 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.332 -7.727 8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.864 -9.635 11.434 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.280 -10.894 10.320 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.686 -9.276 9.700 1.00 0.00 H new ATOM 928 N VAL A 61 -3.147 -8.497 8.299 1.00 0.00 N ATOM 929 CA VAL A 61 -4.042 -8.628 7.156 1.00 0.00 C ATOM 930 C VAL A 61 -3.772 -7.545 6.118 1.00 0.00 C ATOM 931 O VAL A 61 -4.033 -6.365 6.356 1.00 0.00 O ATOM 932 CB VAL A 61 -5.518 -8.554 7.588 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.389 -8.076 6.435 1.00 0.00 C ATOM 934 CG2 VAL A 61 -5.992 -9.905 8.100 1.00 0.00 C ATOM 0 H VAL A 61 -3.125 -7.565 8.712 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.849 -9.605 6.714 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.604 -7.833 8.401 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.429 -8.030 6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.063 -7.085 6.119 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.300 -8.770 5.600 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.037 -9.834 8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.892 -10.649 7.310 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.387 -10.202 8.957 1.00 0.00 H new ATOM 944 N ILE A 62 -3.248 -7.953 4.967 1.00 0.00 N ATOM 945 CA ILE A 62 -2.944 -7.016 3.893 1.00 0.00 C ATOM 946 C ILE A 62 -4.196 -6.674 3.091 1.00 0.00 C ATOM 947 O ILE A 62 -5.035 -7.536 2.833 1.00 0.00 O ATOM 948 CB ILE A 62 -1.876 -7.582 2.938 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.605 -7.936 3.713 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.568 -6.581 1.834 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.104 -6.733 4.294 1.00 0.00 C ATOM 0 H ILE A 62 -3.025 -8.925 4.755 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.558 -6.112 4.363 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.265 -8.491 2.479 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.861 -8.622 4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.079 -8.466 3.050 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.812 -6.996 1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.476 -6.373 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.196 -5.656 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.996 -7.060 4.829 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.391 -6.056 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.563 -6.215 4.983 1.00 0.00 H new ATOM 963 N ALA A 63 -4.313 -5.409 2.699 1.00 0.00 N ATOM 964 CA ALA A 63 -5.460 -4.953 1.924 1.00 0.00 C ATOM 965 C ALA A 63 -5.085 -3.778 1.027 1.00 0.00 C ATOM 966 O ALA A 63 -4.177 -3.009 1.342 1.00 0.00 O ATOM 967 CB ALA A 63 -6.604 -4.568 2.850 1.00 0.00 C ATOM 0 H ALA A 63 -3.628 -4.682 2.906 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.785 -5.775 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.454 -4.229 2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.898 -5.433 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.281 -3.765 3.513 1.00 0.00 H new ATOM 973 N LYS A 64 -5.788 -3.646 -0.092 1.00 0.00 N ATOM 974 CA LYS A 64 -5.530 -2.564 -1.035 1.00 0.00 C ATOM 975 C LYS A 64 -6.802 -1.771 -1.315 1.00 0.00 C ATOM 976 O LYS A 64 -7.885 -2.342 -1.440 1.00 0.00 O ATOM 977 CB LYS A 64 -4.967 -3.125 -2.343 1.00 0.00 C ATOM 978 CG LYS A 64 -5.975 -3.933 -3.142 1.00 0.00 C ATOM 979 CD LYS A 64 -5.448 -4.270 -4.527 1.00 0.00 C ATOM 980 CE LYS A 64 -6.509 -4.950 -5.377 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.925 -5.586 -6.590 1.00 0.00 N ATOM 0 H LYS A 64 -6.542 -4.275 -0.369 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.796 -1.893 -0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.607 -2.300 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.106 -3.754 -2.118 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.210 -4.853 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.904 -3.370 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.113 -3.358 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.579 -4.922 -4.438 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.021 -5.706 -4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.259 -4.218 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.681 -6.039 -7.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.458 -4.861 -7.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.228 -6.303 -6.305 1.00 0.00 H new ATOM 995 N MET A 65 -6.663 -0.453 -1.414 1.00 0.00 N ATOM 996 CA MET A 65 -7.801 0.418 -1.682 1.00 0.00 C ATOM 997 C MET A 65 -7.439 1.485 -2.709 1.00 0.00 C ATOM 998 O MET A 65 -6.329 2.017 -2.701 1.00 0.00 O ATOM 999 CB MET A 65 -8.280 1.080 -0.388 1.00 0.00 C ATOM 1000 CG MET A 65 -9.647 1.734 -0.511 1.00 0.00 C ATOM 1001 SD MET A 65 -10.306 2.267 1.081 1.00 0.00 S ATOM 1002 CE MET A 65 -10.713 3.974 0.724 1.00 0.00 C ATOM 0 H MET A 65 -5.773 0.035 -1.313 1.00 0.00 H new ATOM 0 HA MET A 65 -8.607 -0.193 -2.088 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.314 0.331 0.403 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.552 1.832 -0.083 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.576 2.594 -1.177 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.342 1.031 -0.971 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.566 4.578 1.619 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.068 4.343 -0.073 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.754 4.041 0.408 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.382 1.793 -3.593 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.162 2.798 -4.627 1.00 0.00 C ATOM 1014 C ASP A 66 -8.582 4.181 -4.138 1.00 0.00 C ATOM 1015 O ASP A 66 -9.768 4.506 -4.110 1.00 0.00 O ATOM 1016 CB ASP A 66 -8.937 2.435 -5.895 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.739 3.448 -7.004 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -7.870 4.331 -6.853 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.455 3.359 -8.024 1.00 0.00 O ATOM 0 H ASP A 66 -9.306 1.361 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.097 2.821 -4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.618 1.452 -6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.999 2.361 -5.660 1.00 0.00 H new ATOM 1024 N SER A 67 -7.600 4.990 -3.754 1.00 0.00 N ATOM 1025 CA SER A 67 -7.868 6.337 -3.262 1.00 0.00 C ATOM 1026 C SER A 67 -8.477 7.205 -4.359 1.00 0.00 C ATOM 1027 O SER A 67 -9.167 8.186 -4.079 1.00 0.00 O ATOM 1028 CB SER A 67 -6.579 6.979 -2.745 1.00 0.00 C ATOM 1029 OG SER A 67 -6.851 7.902 -1.704 1.00 0.00 O ATOM 0 H SER A 67 -6.612 4.737 -3.774 1.00 0.00 H new ATOM 0 HA SER A 67 -8.583 6.263 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.904 6.205 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.069 7.488 -3.563 1.00 0.00 H new ATOM 0 HG SER A 67 -7.658 8.413 -1.923 1.00 0.00 H new ATOM 1035 N THR A 68 -8.217 6.837 -5.609 1.00 0.00 N ATOM 1036 CA THR A 68 -8.738 7.581 -6.749 1.00 0.00 C ATOM 1037 C THR A 68 -10.172 7.170 -7.065 1.00 0.00 C ATOM 1038 O THR A 68 -10.870 7.848 -7.817 1.00 0.00 O ATOM 1039 CB THR A 68 -7.868 7.371 -8.002 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.236 6.151 -8.656 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.392 7.330 -7.636 1.00 0.00 C ATOM 0 H THR A 68 -7.648 6.028 -5.858 1.00 0.00 H new ATOM 0 HA THR A 68 -8.717 8.636 -6.474 1.00 0.00 H new ATOM 0 HB THR A 68 -8.036 8.210 -8.677 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.976 5.389 -8.097 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.798 7.181 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.108 8.271 -7.165 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.212 6.509 -6.942 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.604 6.055 -6.485 1.00 0.00 N ATOM 1050 CA ALA A 69 -11.956 5.556 -6.703 1.00 0.00 C ATOM 1051 C ALA A 69 -12.764 5.575 -5.410 1.00 0.00 C ATOM 1052 O ALA A 69 -13.991 5.492 -5.432 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.913 4.149 -7.280 1.00 0.00 C ATOM 0 H ALA A 69 -10.038 5.481 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.449 6.215 -7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.930 3.789 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.381 4.162 -8.231 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.397 3.486 -6.585 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.066 5.684 -4.284 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.719 5.713 -2.980 1.00 0.00 C ATOM 1061 C ASN A 70 -12.118 6.800 -2.094 1.00 0.00 C ATOM 1062 O ASN A 70 -10.899 6.898 -1.957 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.593 4.351 -2.293 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.094 3.216 -3.163 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.299 2.984 -3.267 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.170 2.501 -3.794 1.00 0.00 N ATOM 0 H ASN A 70 -11.049 5.754 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.774 5.938 -3.135 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.549 4.173 -2.034 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.155 4.365 -1.359 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.448 1.724 -4.394 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.182 2.729 -3.679 1.00 0.00 H new ATOM 1073 N GLU A 71 -12.983 7.613 -1.495 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.537 8.693 -0.623 1.00 0.00 C ATOM 1075 C GLU A 71 -13.135 8.547 0.774 1.00 0.00 C ATOM 1076 O GLU A 71 -14.322 8.257 0.926 1.00 0.00 O ATOM 1077 CB GLU A 71 -12.922 10.049 -1.215 1.00 0.00 C ATOM 1078 CG GLU A 71 -11.966 11.170 -0.843 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.304 12.478 -1.532 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -12.291 12.511 -2.780 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -12.582 13.468 -0.823 1.00 0.00 O ATOM 0 H GLU A 71 -13.995 7.544 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.451 8.635 -0.543 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.963 9.963 -2.301 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.925 10.311 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.987 11.317 0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.949 10.878 -1.106 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.304 8.749 1.791 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.750 8.640 3.175 1.00 0.00 C ATOM 1090 C VAL A 72 -12.074 9.688 4.054 1.00 0.00 C ATOM 1091 O VAL A 72 -10.886 9.968 3.900 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.461 7.241 3.750 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.347 6.198 3.087 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.991 6.889 3.581 1.00 0.00 C ATOM 0 H VAL A 72 -11.319 8.989 1.683 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.827 8.809 3.175 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.688 7.251 4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.129 5.216 3.506 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.394 6.444 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.154 6.186 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.805 5.897 3.993 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.735 6.896 2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.379 7.621 4.107 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.841 10.263 4.975 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.316 11.280 5.878 1.00 0.00 C ATOM 1106 C GLU A 73 -11.368 10.662 6.902 1.00 0.00 C ATOM 1107 O GLU A 73 -10.431 11.310 7.366 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.462 11.998 6.595 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.223 11.110 7.565 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.649 11.576 7.786 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -16.541 11.138 7.030 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -15.873 12.380 8.716 1.00 0.00 O ATOM 0 H GLU A 73 -13.827 10.042 5.115 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.759 12.004 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.061 12.854 7.137 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.157 12.389 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.233 10.088 7.185 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.699 11.089 8.521 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.621 9.404 7.249 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.790 8.698 8.216 1.00 0.00 C ATOM 1121 C ALA A 74 -9.338 8.639 7.754 1.00 0.00 C ATOM 1122 O ALA A 74 -8.432 8.393 8.550 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.329 7.294 8.449 1.00 0.00 C ATOM 0 H ALA A 74 -12.394 8.854 6.875 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.822 9.249 9.156 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.699 6.778 9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.348 7.354 8.832 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.327 6.743 7.509 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.124 8.866 6.462 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.781 8.840 5.894 1.00 0.00 C ATOM 1131 C VAL A 75 -7.682 9.751 4.675 1.00 0.00 C ATOM 1132 O VAL A 75 -8.283 9.482 3.635 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.371 7.412 5.488 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.197 7.447 4.523 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.035 6.584 6.720 1.00 0.00 C ATOM 0 H VAL A 75 -9.863 9.070 5.789 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.103 9.199 6.668 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.213 6.942 4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.922 6.429 4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.478 8.002 3.628 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.348 7.936 5.001 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.747 5.578 6.415 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.209 7.050 7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.907 6.530 7.371 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.919 10.830 4.811 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.738 11.781 3.721 1.00 0.00 C ATOM 1147 C LYS A 76 -5.425 11.526 2.988 1.00 0.00 C ATOM 1148 O LYS A 76 -4.344 11.693 3.553 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.764 13.214 4.258 1.00 0.00 C ATOM 1150 CG LYS A 76 -8.166 13.746 4.502 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.858 14.114 3.200 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.369 14.168 3.368 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.782 15.227 4.331 1.00 0.00 N ATOM 0 H LYS A 76 -6.416 11.068 5.666 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.559 11.648 3.016 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.202 13.254 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.254 13.868 3.550 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.755 12.994 5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.116 14.622 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.494 15.082 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.602 13.384 2.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.836 14.355 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.731 13.200 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.820 15.266 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.399 15.008 5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.415 16.147 4.014 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.525 11.122 1.726 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.346 10.846 0.915 1.00 0.00 C ATOM 1169 C VAL A 77 -4.148 11.919 -0.150 1.00 0.00 C ATOM 1170 O VAL A 77 -5.009 12.126 -1.006 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.445 9.470 0.229 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.099 9.066 -0.354 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.946 8.421 1.210 1.00 0.00 C ATOM 0 H VAL A 77 -6.412 10.978 1.243 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.491 10.846 1.591 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.162 9.542 -0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.188 8.092 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.784 9.806 -1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.359 9.011 0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.010 7.455 0.709 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.255 8.349 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.933 8.706 1.575 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.007 12.599 -0.092 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.695 13.652 -1.052 1.00 0.00 C ATOM 1185 C HIS A 78 -1.493 13.266 -1.910 1.00 0.00 C ATOM 1186 O HIS A 78 -0.776 14.129 -2.415 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.416 14.968 -0.326 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.437 15.305 0.716 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.129 15.969 1.885 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.769 15.067 0.761 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.227 16.123 2.604 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.236 15.585 1.943 1.00 0.00 N ATOM 0 H HIS A 78 -2.284 12.440 0.609 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.559 13.782 -1.704 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.434 14.913 0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.375 15.775 -1.057 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.355 14.563 0.007 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.289 16.606 3.568 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.205 15.559 2.260 1.00 0.00 H new ATOM 1201 N SER A 79 -1.279 11.963 -2.068 1.00 0.00 N ATOM 1202 CA SER A 79 -0.161 11.463 -2.860 1.00 0.00 C ATOM 1203 C SER A 79 -0.257 9.951 -3.040 1.00 0.00 C ATOM 1204 O SER A 79 -1.019 9.278 -2.344 1.00 0.00 O ATOM 1205 CB SER A 79 1.167 11.825 -2.192 1.00 0.00 C ATOM 1206 OG SER A 79 1.630 13.090 -2.632 1.00 0.00 O ATOM 0 H SER A 79 -1.865 11.235 -1.658 1.00 0.00 H new ATOM 0 HA SER A 79 -0.205 11.932 -3.843 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.042 11.836 -1.109 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.912 11.062 -2.419 1.00 0.00 H new ATOM 0 HG SER A 79 0.927 13.760 -2.500 1.00 0.00 H new ATOM 1212 N PHE A 80 0.521 9.423 -3.979 1.00 0.00 N ATOM 1213 CA PHE A 80 0.524 7.991 -4.252 1.00 0.00 C ATOM 1214 C PHE A 80 1.811 7.575 -4.960 1.00 0.00 C ATOM 1215 O PHE A 80 2.435 8.357 -5.677 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.686 7.610 -5.107 1.00 0.00 C ATOM 1217 CG PHE A 80 -1.946 8.329 -4.715 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.723 7.871 -3.664 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.353 9.463 -5.400 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -3.882 8.531 -3.301 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.511 10.127 -5.042 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.277 9.660 -3.992 1.00 0.00 C ATOM 0 H PHE A 80 1.157 9.965 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 80 0.467 7.465 -3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.465 7.825 -6.152 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.851 6.535 -5.030 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.420 6.988 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.759 9.832 -6.223 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.478 8.164 -2.478 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.817 11.010 -5.583 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.183 10.177 -3.712 1.00 0.00 H new ATOM 1232 N PRO A 81 2.218 6.314 -4.754 1.00 0.00 N ATOM 1233 CA PRO A 81 1.484 5.374 -3.901 1.00 0.00 C ATOM 1234 C PRO A 81 1.565 5.745 -2.425 1.00 0.00 C ATOM 1235 O PRO A 81 2.585 6.250 -1.955 1.00 0.00 O ATOM 1236 CB PRO A 81 2.188 4.039 -4.157 1.00 0.00 C ATOM 1237 CG PRO A 81 3.565 4.413 -4.585 1.00 0.00 C ATOM 1238 CD PRO A 81 3.428 5.708 -5.336 1.00 0.00 C ATOM 0 HA PRO A 81 0.419 5.361 -4.132 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.206 3.422 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.676 3.463 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.223 4.529 -3.724 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.001 3.639 -5.217 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.302 6.345 -5.200 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.318 5.541 -6.408 1.00 0.00 H new ATOM 1246 N THR A 82 0.482 5.493 -1.695 1.00 0.00 N ATOM 1247 CA THR A 82 0.431 5.801 -0.272 1.00 0.00 C ATOM 1248 C THR A 82 0.102 4.559 0.548 1.00 0.00 C ATOM 1249 O THR A 82 -0.822 3.813 0.221 1.00 0.00 O ATOM 1250 CB THR A 82 -0.614 6.893 0.029 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.094 8.179 -0.325 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.998 6.883 1.501 1.00 0.00 C ATOM 0 H THR A 82 -0.371 5.076 -2.067 1.00 0.00 H new ATOM 0 HA THR A 82 1.419 6.166 0.008 1.00 0.00 H new ATOM 0 HB THR A 82 -1.505 6.686 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.431 8.436 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.737 7.662 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.420 5.912 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.113 7.068 2.109 1.00 0.00 H new ATOM 1260 N LEU A 83 0.862 4.342 1.616 1.00 0.00 N ATOM 1261 CA LEU A 83 0.650 3.190 2.485 1.00 0.00 C ATOM 1262 C LEU A 83 0.373 3.632 3.918 1.00 0.00 C ATOM 1263 O LEU A 83 1.005 4.557 4.427 1.00 0.00 O ATOM 1264 CB LEU A 83 1.871 2.269 2.450 1.00 0.00 C ATOM 1265 CG LEU A 83 2.387 1.890 1.061 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.677 1.092 1.170 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.332 1.100 0.299 1.00 0.00 C ATOM 0 H LEU A 83 1.631 4.949 1.901 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.220 2.645 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.681 2.752 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.625 1.353 2.987 1.00 0.00 H new ATOM 0 HG LEU A 83 2.597 2.806 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.029 0.831 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.434 1.691 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.494 0.181 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.715 0.838 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.092 0.190 0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.432 1.706 0.190 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.575 2.962 4.565 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.935 3.283 5.941 1.00 0.00 C ATOM 1281 C LYS A 84 -1.215 2.013 6.740 1.00 0.00 C ATOM 1282 O LYS A 84 -2.029 1.182 6.338 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.162 4.197 5.970 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.064 5.377 5.018 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.785 6.596 5.566 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.206 7.886 5.004 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.068 8.386 5.823 1.00 0.00 N ATOM 0 H LYS A 84 -1.108 2.193 4.158 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.093 3.802 6.399 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.047 3.612 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.303 4.570 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.016 5.620 4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.491 5.104 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.845 6.534 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.710 6.606 6.653 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.871 7.718 3.981 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -2.986 8.647 4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.701 9.266 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.393 8.571 6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.313 7.671 5.841 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.536 1.871 7.873 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.712 0.703 8.728 1.00 0.00 C ATOM 1303 C PHE A 85 -1.769 0.967 9.798 1.00 0.00 C ATOM 1304 O PHE A 85 -1.726 1.983 10.491 1.00 0.00 O ATOM 1305 CB PHE A 85 0.615 0.324 9.389 1.00 0.00 C ATOM 1306 CG PHE A 85 0.476 -0.731 10.449 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.394 -2.071 10.105 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.429 -0.384 11.789 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.266 -3.044 11.078 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.302 -1.352 12.767 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.221 -2.684 12.411 1.00 0.00 C ATOM 0 H PHE A 85 0.141 2.550 8.221 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.049 -0.125 8.105 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.305 -0.030 8.623 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.059 1.216 9.831 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.431 -2.358 9.065 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.492 0.656 12.073 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.201 -4.085 10.797 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.266 -1.067 13.808 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.123 -3.443 13.173 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.716 0.043 9.925 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.785 0.175 10.908 1.00 0.00 C ATOM 1323 C PHE A 86 -3.592 -0.810 12.057 1.00 0.00 C ATOM 1324 O PHE A 86 -3.826 -2.011 11.924 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.145 -0.055 10.247 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.420 0.875 9.099 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.630 1.995 8.894 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.467 0.629 8.226 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.879 2.852 7.839 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.721 1.482 7.169 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.927 2.596 6.976 1.00 0.00 C ATOM 0 H PHE A 86 -2.765 -0.805 9.360 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.751 1.187 11.311 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.197 -1.084 9.891 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.928 0.064 10.996 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.810 2.200 9.567 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.092 -0.239 8.373 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.255 3.721 7.689 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.539 1.278 6.494 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.125 3.265 6.152 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.153 -0.291 13.213 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.918 -1.106 14.408 1.00 0.00 C ATOM 1343 C PRO A 87 -4.215 -1.625 15.020 1.00 0.00 C ATOM 1344 O PRO A 87 -5.302 -1.165 14.675 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.224 -0.137 15.368 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.675 1.215 14.934 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.852 1.132 13.443 1.00 0.00 C ATOM 0 HA PRO A 87 -2.333 -1.998 14.184 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.505 -0.335 16.402 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.140 -0.230 15.309 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.609 1.491 15.423 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.940 1.975 15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.662 1.775 13.098 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.951 1.443 12.914 1.00 0.00 H new ATOM 1355 N ALA A 88 -4.091 -2.585 15.931 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.254 -3.164 16.593 1.00 0.00 C ATOM 1357 C ALA A 88 -5.792 -2.231 17.672 1.00 0.00 C ATOM 1358 O ALA A 88 -5.936 -2.624 18.830 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.901 -4.518 17.190 1.00 0.00 C ATOM 0 H ALA A 88 -3.198 -2.978 16.227 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.036 -3.302 15.846 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.778 -4.939 17.681 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.571 -5.190 16.398 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.100 -4.396 17.919 1.00 0.00 H new ATOM 1365 N SER A 89 -6.087 -0.994 17.286 1.00 0.00 N ATOM 1366 CA SER A 89 -6.606 -0.004 18.222 1.00 0.00 C ATOM 1367 C SER A 89 -8.075 0.295 17.939 1.00 0.00 C ATOM 1368 O SER A 89 -8.496 0.355 16.785 1.00 0.00 O ATOM 1369 CB SER A 89 -5.786 1.285 18.139 1.00 0.00 C ATOM 1370 OG SER A 89 -5.773 1.962 19.384 1.00 0.00 O ATOM 0 H SER A 89 -5.975 -0.653 16.331 1.00 0.00 H new ATOM 0 HA SER A 89 -6.525 -0.414 19.229 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.765 1.051 17.838 1.00 0.00 H new ATOM 0 HB3 SER A 89 -6.204 1.937 17.371 1.00 0.00 H new ATOM 0 HG SER A 89 -5.241 2.781 19.305 1.00 0.00 H new ATOM 1376 N ALA A 90 -8.850 0.481 19.003 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.271 0.775 18.870 1.00 0.00 C ATOM 1378 C ALA A 90 -10.506 2.269 18.675 1.00 0.00 C ATOM 1379 O ALA A 90 -11.557 2.795 19.044 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.030 0.274 20.090 1.00 0.00 C ATOM 0 H ALA A 90 -8.517 0.433 19.966 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.643 0.257 17.986 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -12.090 0.500 19.977 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.897 -0.804 20.184 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.647 0.766 20.984 1.00 0.00 H new ATOM 1386 N ASP A 91 -9.523 2.947 18.095 1.00 0.00 N ATOM 1387 CA ASP A 91 -9.623 4.382 17.851 1.00 0.00 C ATOM 1388 C ASP A 91 -9.240 4.716 16.413 1.00 0.00 C ATOM 1389 O ASP A 91 -8.596 5.732 16.152 1.00 0.00 O ATOM 1390 CB ASP A 91 -8.726 5.150 18.823 1.00 0.00 C ATOM 1391 CG ASP A 91 -9.107 4.915 20.271 1.00 0.00 C ATOM 1392 OD1 ASP A 91 -8.634 3.918 20.855 1.00 0.00 O ATOM 1393 OD2 ASP A 91 -9.878 5.729 20.821 1.00 0.00 O ATOM 0 H ASP A 91 -8.647 2.527 17.785 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.659 4.682 18.011 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.689 4.850 18.670 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.786 6.216 18.603 1.00 0.00 H new ATOM 1398 N ARG A 92 -9.640 3.854 15.483 1.00 0.00 N ATOM 1399 CA ARG A 92 -9.336 4.057 14.072 1.00 0.00 C ATOM 1400 C ARG A 92 -7.971 4.717 13.899 1.00 0.00 C ATOM 1401 O ARG A 92 -7.822 5.669 13.132 1.00 0.00 O ATOM 1402 CB ARG A 92 -10.417 4.917 13.415 1.00 0.00 C ATOM 1403 CG ARG A 92 -11.745 4.198 13.240 1.00 0.00 C ATOM 1404 CD ARG A 92 -12.547 4.781 12.087 1.00 0.00 C ATOM 1405 NE ARG A 92 -13.432 5.857 12.525 1.00 0.00 N ATOM 1406 CZ ARG A 92 -13.040 7.118 12.671 1.00 0.00 C ATOM 1407 NH1 ARG A 92 -11.784 7.459 12.415 1.00 0.00 N ATOM 1408 NH2 ARG A 92 -13.904 8.040 13.074 1.00 0.00 N ATOM 0 H ARG A 92 -10.175 3.009 15.682 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.312 3.081 13.587 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -10.574 5.811 14.018 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -10.062 5.249 12.439 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.565 3.138 13.060 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.324 4.271 14.161 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.865 5.160 11.326 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.138 3.992 11.621 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.405 5.628 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.117 6.752 12.105 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.485 8.428 12.528 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.871 7.781 13.272 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.602 9.008 13.186 1.00 0.00 H new ATOM 1422 N THR A 93 -6.977 4.205 14.617 1.00 0.00 N ATOM 1423 CA THR A 93 -5.625 4.745 14.545 1.00 0.00 C ATOM 1424 C THR A 93 -4.974 4.420 13.205 1.00 0.00 C ATOM 1425 O THR A 93 -5.179 3.340 12.650 1.00 0.00 O ATOM 1426 CB THR A 93 -4.739 4.196 15.680 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.257 4.610 16.949 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.305 4.679 15.529 1.00 0.00 C ATOM 0 H THR A 93 -7.083 3.417 15.255 1.00 0.00 H new ATOM 0 HA THR A 93 -5.711 5.826 14.652 1.00 0.00 H new ATOM 0 HB THR A 93 -4.746 3.108 15.623 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.690 4.256 17.665 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.699 4.279 16.342 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.904 4.337 14.575 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.283 5.768 15.562 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.189 5.360 12.691 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.506 5.173 11.416 1.00 0.00 C ATOM 1438 C VAL A 94 -2.028 5.532 11.526 1.00 0.00 C ATOM 1439 O VAL A 94 -1.668 6.543 12.130 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.148 6.024 10.305 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.224 6.114 9.100 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.500 5.451 9.909 1.00 0.00 C ATOM 0 H VAL A 94 -4.010 6.259 13.138 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.603 4.119 11.157 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.305 7.032 10.688 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.695 6.719 8.325 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.282 6.574 9.398 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.033 5.113 8.713 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.939 6.065 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.371 4.432 9.544 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.161 5.445 10.776 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.177 4.697 10.939 1.00 0.00 N ATOM 1453 CA ILE A 95 0.262 4.927 10.970 1.00 0.00 C ATOM 1454 C ILE A 95 0.816 5.136 9.565 1.00 0.00 C ATOM 1455 O ILE A 95 0.386 4.482 8.614 1.00 0.00 O ATOM 1456 CB ILE A 95 1.006 3.753 11.634 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.561 3.597 13.090 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.510 3.966 11.553 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.139 2.375 13.770 1.00 0.00 C ATOM 0 H ILE A 95 -1.459 3.855 10.436 1.00 0.00 H new ATOM 0 HA ILE A 95 0.424 5.829 11.560 1.00 0.00 H new ATOM 0 HB ILE A 95 0.760 2.836 11.099 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.854 4.486 13.648 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.527 3.542 13.125 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.022 3.128 12.026 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.812 4.032 10.508 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.775 4.890 12.067 1.00 0.00 H new ATOM 0 HD11 ILE A 95 0.782 2.328 14.799 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.825 1.478 13.235 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.227 2.437 13.767 1.00 0.00 H new ATOM 1471 N ASP A 96 1.773 6.048 9.441 1.00 0.00 N ATOM 1472 CA ASP A 96 2.388 6.342 8.152 1.00 0.00 C ATOM 1473 C ASP A 96 3.571 5.414 7.891 1.00 0.00 C ATOM 1474 O ASP A 96 4.410 5.199 8.767 1.00 0.00 O ATOM 1475 CB ASP A 96 2.847 7.800 8.102 1.00 0.00 C ATOM 1476 CG ASP A 96 1.703 8.758 7.840 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.642 8.604 8.480 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.867 9.663 6.994 1.00 0.00 O ATOM 0 H ASP A 96 2.140 6.597 10.218 1.00 0.00 H new ATOM 0 HA ASP A 96 1.641 6.178 7.375 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.326 8.060 9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.599 7.915 7.321 1.00 0.00 H new ATOM 1483 N TYR A 97 3.630 4.865 6.683 1.00 0.00 N ATOM 1484 CA TYR A 97 4.707 3.957 6.308 1.00 0.00 C ATOM 1485 C TYR A 97 5.726 4.660 5.416 1.00 0.00 C ATOM 1486 O TYR A 97 5.485 4.875 4.229 1.00 0.00 O ATOM 1487 CB TYR A 97 4.142 2.732 5.588 1.00 0.00 C ATOM 1488 CG TYR A 97 5.190 1.701 5.233 1.00 0.00 C ATOM 1489 CD1 TYR A 97 6.008 1.868 4.122 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.363 0.561 6.008 1.00 0.00 C ATOM 1491 CE1 TYR A 97 6.967 0.929 3.793 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.319 -0.382 5.688 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.119 -0.194 4.579 1.00 0.00 C ATOM 1494 OH TYR A 97 8.072 -1.132 4.256 1.00 0.00 O ATOM 0 H TYR A 97 2.944 5.033 5.947 1.00 0.00 H new ATOM 0 HA TYR A 97 5.210 3.634 7.220 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.386 2.266 6.220 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.640 3.056 4.676 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.892 2.747 3.505 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.739 0.410 6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.594 1.074 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.440 -1.262 6.302 1.00 0.00 H new ATOM 0 HH TYR A 97 7.672 -1.823 3.688 1.00 0.00 H new ATOM 1504 N ASN A 98 6.867 5.015 5.998 1.00 0.00 N ATOM 1505 CA ASN A 98 7.924 5.694 5.257 1.00 0.00 C ATOM 1506 C ASN A 98 9.214 4.879 5.279 1.00 0.00 C ATOM 1507 O ASN A 98 10.170 5.229 5.969 1.00 0.00 O ATOM 1508 CB ASN A 98 8.176 7.084 5.845 1.00 0.00 C ATOM 1509 CG ASN A 98 7.240 8.132 5.273 1.00 0.00 C ATOM 1510 OD1 ASN A 98 7.646 8.969 4.467 1.00 0.00 O ATOM 1511 ND2 ASN A 98 5.980 8.090 5.690 1.00 0.00 N ATOM 0 H ASN A 98 7.083 4.844 6.980 1.00 0.00 H new ATOM 0 HA ASN A 98 7.598 5.798 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 98 8.055 7.045 6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 98 9.208 7.377 5.650 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.304 8.770 5.341 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.688 7.378 6.359 1.00 0.00 H new ATOM 1518 N GLY A 99 9.232 3.788 4.518 1.00 0.00 N ATOM 1519 CA GLY A 99 10.408 2.941 4.465 1.00 0.00 C ATOM 1520 C GLY A 99 10.822 2.613 3.044 1.00 0.00 C ATOM 1521 O GLY A 99 10.571 3.389 2.123 1.00 0.00 O ATOM 0 H GLY A 99 8.453 3.477 3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.233 3.438 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.210 2.015 5.005 1.00 0.00 H new ATOM 1525 N GLU A 100 11.460 1.460 2.866 1.00 0.00 N ATOM 1526 CA GLU A 100 11.912 1.034 1.547 1.00 0.00 C ATOM 1527 C GLU A 100 10.727 0.812 0.611 1.00 0.00 C ATOM 1528 O GLU A 100 10.834 1.005 -0.600 1.00 0.00 O ATOM 1529 CB GLU A 100 12.736 -0.251 1.656 1.00 0.00 C ATOM 1530 CG GLU A 100 12.021 -1.373 2.390 1.00 0.00 C ATOM 1531 CD GLU A 100 12.949 -2.514 2.758 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.305 -3.302 1.857 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.318 -2.620 3.946 1.00 0.00 O ATOM 0 H GLU A 100 11.675 0.805 3.618 1.00 0.00 H new ATOM 0 HA GLU A 100 12.537 1.825 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 100 12.996 -0.592 0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.671 -0.030 2.170 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.563 -0.976 3.296 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.213 -1.754 1.765 1.00 0.00 H new ATOM 1540 N ARG A 101 9.598 0.405 1.182 1.00 0.00 N ATOM 1541 CA ARG A 101 8.393 0.156 0.400 1.00 0.00 C ATOM 1542 C ARG A 101 8.591 -1.030 -0.540 1.00 0.00 C ATOM 1543 O ARG A 101 8.279 -0.954 -1.729 1.00 0.00 O ATOM 1544 CB ARG A 101 8.015 1.401 -0.406 1.00 0.00 C ATOM 1545 CG ARG A 101 6.621 1.336 -1.009 1.00 0.00 C ATOM 1546 CD ARG A 101 6.354 2.523 -1.921 1.00 0.00 C ATOM 1547 NE ARG A 101 7.360 2.642 -2.973 1.00 0.00 N ATOM 1548 CZ ARG A 101 8.511 3.285 -2.819 1.00 0.00 C ATOM 1549 NH1 ARG A 101 8.802 3.864 -1.662 1.00 0.00 N ATOM 1550 NH2 ARG A 101 9.376 3.351 -3.823 1.00 0.00 N ATOM 0 H ARG A 101 9.493 0.241 2.183 1.00 0.00 H new ATOM 0 HA ARG A 101 7.584 -0.080 1.091 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.082 2.276 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.742 1.540 -1.206 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.510 0.410 -1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.879 1.314 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 101 5.368 2.418 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 101 6.338 3.438 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 101 7.168 2.207 -3.875 1.00 0.00 H new ATOM 0 HH11 ARG A 101 8.140 3.816 -0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 101 9.687 4.357 -1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 101 9.157 2.907 -4.715 1.00 0.00 H new ATOM 0 HH22 ARG A 101 10.260 3.846 -3.703 1.00 0.00 H new ATOM 1564 N THR A 102 9.112 -2.127 0.001 1.00 0.00 N ATOM 1565 CA THR A 102 9.353 -3.328 -0.788 1.00 0.00 C ATOM 1566 C THR A 102 8.674 -4.542 -0.163 1.00 0.00 C ATOM 1567 O THR A 102 8.235 -4.497 0.987 1.00 0.00 O ATOM 1568 CB THR A 102 10.860 -3.614 -0.930 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.443 -3.824 0.361 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.566 -2.462 -1.629 1.00 0.00 C ATOM 0 H THR A 102 9.375 -2.208 0.983 1.00 0.00 H new ATOM 0 HA THR A 102 8.930 -3.147 -1.776 1.00 0.00 H new ATOM 0 HB THR A 102 10.981 -4.514 -1.534 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.310 -3.369 0.407 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.629 -2.687 -1.718 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.140 -2.324 -2.623 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.436 -1.549 -1.048 1.00 0.00 H new ATOM 1578 N LEU A 103 8.591 -5.626 -0.927 1.00 0.00 N ATOM 1579 CA LEU A 103 7.966 -6.853 -0.447 1.00 0.00 C ATOM 1580 C LEU A 103 8.585 -7.300 0.873 1.00 0.00 C ATOM 1581 O LEU A 103 7.878 -7.530 1.855 1.00 0.00 O ATOM 1582 CB LEU A 103 8.107 -7.962 -1.491 1.00 0.00 C ATOM 1583 CG LEU A 103 7.550 -9.331 -1.097 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.069 -9.229 -0.768 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.782 -10.342 -2.210 1.00 0.00 C ATOM 0 H LEU A 103 8.949 -5.680 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 103 6.908 -6.651 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.608 -7.639 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.165 -8.077 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 103 8.077 -9.674 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.690 -10.212 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.928 -8.537 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.527 -8.864 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.379 -11.310 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.282 -10.005 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.851 -10.436 -2.399 1.00 0.00 H new ATOM 1597 N ASP A 104 9.908 -7.419 0.890 1.00 0.00 N ATOM 1598 CA ASP A 104 10.623 -7.835 2.091 1.00 0.00 C ATOM 1599 C ASP A 104 10.605 -6.731 3.144 1.00 0.00 C ATOM 1600 O ASP A 104 10.518 -7.002 4.341 1.00 0.00 O ATOM 1601 CB ASP A 104 12.066 -8.207 1.748 1.00 0.00 C ATOM 1602 CG ASP A 104 12.201 -9.648 1.296 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.471 -10.049 0.365 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.037 -10.374 1.873 1.00 0.00 O ATOM 0 H ASP A 104 10.507 -7.233 0.086 1.00 0.00 H new ATOM 0 HA ASP A 104 10.118 -8.710 2.500 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.431 -7.547 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.698 -8.042 2.621 1.00 0.00 H new ATOM 1609 N GLY A 105 10.689 -5.484 2.688 1.00 0.00 N ATOM 1610 CA GLY A 105 10.682 -4.358 3.604 1.00 0.00 C ATOM 1611 C GLY A 105 9.394 -4.263 4.396 1.00 0.00 C ATOM 1612 O GLY A 105 9.406 -3.914 5.577 1.00 0.00 O ATOM 0 H GLY A 105 10.762 -5.234 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.522 -4.448 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.828 -3.436 3.042 1.00 0.00 H new ATOM 1616 N PHE A 106 8.277 -4.571 3.745 1.00 0.00 N ATOM 1617 CA PHE A 106 6.973 -4.515 4.396 1.00 0.00 C ATOM 1618 C PHE A 106 6.914 -5.476 5.579 1.00 0.00 C ATOM 1619 O PHE A 106 6.467 -5.113 6.667 1.00 0.00 O ATOM 1620 CB PHE A 106 5.865 -4.853 3.395 1.00 0.00 C ATOM 1621 CG PHE A 106 5.685 -3.812 2.327 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.628 -2.467 2.655 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.573 -4.179 0.996 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.461 -1.508 1.674 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.406 -3.224 0.011 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.351 -1.886 0.350 1.00 0.00 C ATOM 0 H PHE A 106 8.249 -4.862 2.768 1.00 0.00 H new ATOM 0 HA PHE A 106 6.823 -3.501 4.766 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.091 -5.810 2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.925 -4.976 3.933 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.715 -2.165 3.688 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.617 -5.223 0.725 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.416 -0.463 1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.319 -3.524 -1.023 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.222 -1.138 -0.418 1.00 0.00 H new ATOM 1636 N LYS A 107 7.369 -6.705 5.359 1.00 0.00 N ATOM 1637 CA LYS A 107 7.370 -7.720 6.406 1.00 0.00 C ATOM 1638 C LYS A 107 8.051 -7.200 7.668 1.00 0.00 C ATOM 1639 O LYS A 107 7.559 -7.399 8.779 1.00 0.00 O ATOM 1640 CB LYS A 107 8.078 -8.986 5.917 1.00 0.00 C ATOM 1641 CG LYS A 107 7.611 -9.455 4.550 1.00 0.00 C ATOM 1642 CD LYS A 107 7.897 -10.932 4.340 1.00 0.00 C ATOM 1643 CE LYS A 107 8.131 -11.251 2.871 1.00 0.00 C ATOM 1644 NZ LYS A 107 6.867 -11.614 2.174 1.00 0.00 N ATOM 0 H LYS A 107 7.742 -7.022 4.464 1.00 0.00 H new ATOM 0 HA LYS A 107 6.334 -7.959 6.646 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.152 -8.801 5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.916 -9.785 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.541 -9.272 4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.109 -8.873 3.775 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.774 -11.220 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.060 -11.522 4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.582 -10.389 2.380 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.841 -12.074 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.949 -11.383 1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.691 -12.633 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.076 -11.080 2.588 1.00 0.00 H new ATOM 1658 N LYS A 108 9.184 -6.529 7.490 1.00 0.00 N ATOM 1659 CA LYS A 108 9.931 -5.977 8.613 1.00 0.00 C ATOM 1660 C LYS A 108 9.052 -5.053 9.450 1.00 0.00 C ATOM 1661 O LYS A 108 8.954 -5.207 10.667 1.00 0.00 O ATOM 1662 CB LYS A 108 11.159 -5.214 8.110 1.00 0.00 C ATOM 1663 CG LYS A 108 12.031 -6.020 7.164 1.00 0.00 C ATOM 1664 CD LYS A 108 13.482 -5.574 7.226 1.00 0.00 C ATOM 1665 CE LYS A 108 14.216 -6.226 8.388 1.00 0.00 C ATOM 1666 NZ LYS A 108 15.681 -6.314 8.139 1.00 0.00 N ATOM 0 H LYS A 108 9.605 -6.354 6.577 1.00 0.00 H new ATOM 0 HA LYS A 108 10.258 -6.805 9.242 1.00 0.00 H new ATOM 0 HB2 LYS A 108 10.830 -4.307 7.603 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.758 -4.902 8.966 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.964 -7.078 7.418 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.660 -5.912 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 108 13.982 -5.827 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.527 -4.490 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 108 14.036 -5.654 9.298 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.815 -7.226 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 16.145 -6.764 8.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 15.854 -6.881 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 16.068 -5.358 8.004 1.00 0.00 H new ATOM 1680 N PHE A 109 8.414 -4.093 8.789 1.00 0.00 N ATOM 1681 CA PHE A 109 7.542 -3.144 9.471 1.00 0.00 C ATOM 1682 C PHE A 109 6.422 -3.869 10.212 1.00 0.00 C ATOM 1683 O PHE A 109 6.179 -3.618 11.393 1.00 0.00 O ATOM 1684 CB PHE A 109 6.948 -2.152 8.469 1.00 0.00 C ATOM 1685 CG PHE A 109 6.097 -1.092 9.107 1.00 0.00 C ATOM 1686 CD1 PHE A 109 6.669 0.069 9.603 1.00 0.00 C ATOM 1687 CD2 PHE A 109 4.725 -1.255 9.211 1.00 0.00 C ATOM 1688 CE1 PHE A 109 5.888 1.045 10.191 1.00 0.00 C ATOM 1689 CE2 PHE A 109 3.939 -0.282 9.798 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.522 0.871 10.288 1.00 0.00 C ATOM 0 H PHE A 109 8.485 -3.952 7.781 1.00 0.00 H new ATOM 0 HA PHE A 109 8.141 -2.598 10.200 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.759 -1.674 7.920 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.348 -2.698 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.737 0.212 9.529 1.00 0.00 H new ATOM 0 HD2 PHE A 109 4.264 -2.154 8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 109 6.346 1.944 10.575 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.871 -0.422 9.874 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.910 1.634 10.746 1.00 0.00 H new ATOM 1700 N LEU A 110 5.743 -4.769 9.509 1.00 0.00 N ATOM 1701 CA LEU A 110 4.648 -5.531 10.098 1.00 0.00 C ATOM 1702 C LEU A 110 5.139 -6.372 11.272 1.00 0.00 C ATOM 1703 O LEU A 110 4.734 -6.157 12.414 1.00 0.00 O ATOM 1704 CB LEU A 110 4.004 -6.434 9.044 1.00 0.00 C ATOM 1705 CG LEU A 110 3.341 -5.721 7.864 1.00 0.00 C ATOM 1706 CD1 LEU A 110 3.259 -6.646 6.660 1.00 0.00 C ATOM 1707 CD2 LEU A 110 1.957 -5.223 8.252 1.00 0.00 C ATOM 0 H LEU A 110 5.932 -4.989 8.531 1.00 0.00 H new ATOM 0 HA LEU A 110 3.904 -4.825 10.467 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.769 -7.106 8.654 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.255 -7.055 9.535 1.00 0.00 H new ATOM 0 HG LEU A 110 3.952 -4.860 7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.785 -6.122 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.263 -6.954 6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.670 -7.527 6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.500 -4.718 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.336 -6.068 8.549 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.042 -4.525 9.085 1.00 0.00 H new ATOM 1719 N GLU A 111 6.016 -7.328 10.983 1.00 0.00 N ATOM 1720 CA GLU A 111 6.563 -8.200 12.015 1.00 0.00 C ATOM 1721 C GLU A 111 6.781 -7.432 13.316 1.00 0.00 C ATOM 1722 O GLU A 111 6.542 -7.955 14.405 1.00 0.00 O ATOM 1723 CB GLU A 111 7.884 -8.816 11.547 1.00 0.00 C ATOM 1724 CG GLU A 111 7.710 -9.915 10.513 1.00 0.00 C ATOM 1725 CD GLU A 111 8.893 -10.862 10.463 1.00 0.00 C ATOM 1726 OE1 GLU A 111 9.151 -11.543 11.477 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.560 -10.921 9.409 1.00 0.00 O ATOM 0 H GLU A 111 6.363 -7.518 10.043 1.00 0.00 H new ATOM 0 HA GLU A 111 5.843 -8.998 12.199 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.513 -8.031 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.412 -9.221 12.410 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.806 -10.481 10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.568 -9.465 9.530 1.00 0.00 H new ATOM 1734 N SER A 112 7.235 -6.189 13.194 1.00 0.00 N ATOM 1735 CA SER A 112 7.489 -5.350 14.359 1.00 0.00 C ATOM 1736 C SER A 112 6.183 -4.972 15.052 1.00 0.00 C ATOM 1737 O SER A 112 6.077 -5.029 16.276 1.00 0.00 O ATOM 1738 CB SER A 112 8.245 -4.085 13.948 1.00 0.00 C ATOM 1739 OG SER A 112 9.645 -4.304 13.952 1.00 0.00 O ATOM 0 H SER A 112 7.435 -5.741 12.300 1.00 0.00 H new ATOM 0 HA SER A 112 8.100 -5.919 15.059 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.925 -3.773 12.954 1.00 0.00 H new ATOM 0 HB3 SER A 112 7.999 -3.272 14.631 1.00 0.00 H new ATOM 0 HG SER A 112 10.106 -3.481 13.684 1.00 0.00 H new ATOM 1745 N GLY A 113 5.189 -4.587 14.258 1.00 0.00 N ATOM 1746 CA GLY A 113 3.902 -4.205 14.811 1.00 0.00 C ATOM 1747 C GLY A 113 3.600 -2.733 14.612 1.00 0.00 C ATOM 1748 O GLY A 113 2.990 -2.096 15.471 1.00 0.00 O ATOM 0 H GLY A 113 5.252 -4.533 13.241 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.118 -4.800 14.343 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.885 -4.436 15.876 1.00 0.00 H new ATOM 1752 N GLY A 114 4.028 -2.190 13.476 1.00 0.00 N ATOM 1753 CA GLY A 114 3.791 -0.787 13.189 1.00 0.00 C ATOM 1754 C GLY A 114 4.500 0.132 14.165 1.00 0.00 C ATOM 1755 O GLY A 114 3.898 1.065 14.695 1.00 0.00 O ATOM 0 H GLY A 114 4.534 -2.696 12.750 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.127 -0.565 12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 114 2.720 -0.589 13.221 1.00 0.00 H new ATOM 1759 N GLN A 115 5.780 -0.134 14.403 1.00 0.00 N ATOM 1760 CA GLN A 115 6.569 0.675 15.323 1.00 0.00 C ATOM 1761 C GLN A 115 7.045 1.958 14.649 1.00 0.00 C ATOM 1762 O GLN A 115 8.017 1.950 13.894 1.00 0.00 O ATOM 1763 CB GLN A 115 7.771 -0.122 15.835 1.00 0.00 C ATOM 1764 CG GLN A 115 7.389 -1.419 16.529 1.00 0.00 C ATOM 1765 CD GLN A 115 7.022 -1.215 17.986 1.00 0.00 C ATOM 1766 OE1 GLN A 115 5.870 -0.930 18.314 1.00 0.00 O ATOM 1767 NE2 GLN A 115 8.003 -1.361 18.869 1.00 0.00 N ATOM 0 H GLN A 115 6.292 -0.903 13.971 1.00 0.00 H new ATOM 0 HA GLN A 115 5.934 0.943 16.167 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.430 -0.348 14.997 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.339 0.498 16.529 1.00 0.00 H new ATOM 0 HG2 GLN A 115 6.547 -1.872 16.006 1.00 0.00 H new ATOM 0 HG3 GLN A 115 8.220 -2.121 16.462 1.00 0.00 H new ATOM 0 HE21 GLN A 115 8.943 -1.598 18.552 1.00 0.00 H new ATOM 0 HE22 GLN A 115 7.816 -1.236 19.864 1.00 0.00 H new ATOM 1776 N SER A 116 6.354 3.058 14.927 1.00 0.00 N ATOM 1777 CA SER A 116 6.703 4.349 14.345 1.00 0.00 C ATOM 1778 C SER A 116 7.899 4.964 15.065 1.00 0.00 C ATOM 1779 O SER A 116 7.739 5.726 16.017 1.00 0.00 O ATOM 1780 CB SER A 116 5.508 5.302 14.410 1.00 0.00 C ATOM 1781 OG SER A 116 5.700 6.420 13.560 1.00 0.00 O ATOM 0 H SER A 116 5.548 3.082 15.552 1.00 0.00 H new ATOM 0 HA SER A 116 6.973 4.188 13.301 1.00 0.00 H new ATOM 0 HB2 SER A 116 4.600 4.772 14.120 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.365 5.642 15.436 1.00 0.00 H new ATOM 0 HG SER A 116 4.922 7.013 13.619 1.00 0.00 H new ATOM 1787 N GLY A 117 9.099 4.627 14.601 1.00 0.00 N ATOM 1788 CA GLY A 117 10.305 5.154 15.212 1.00 0.00 C ATOM 1789 C GLY A 117 10.472 4.702 16.649 1.00 0.00 C ATOM 1790 O GLY A 117 9.942 3.672 17.065 1.00 0.00 O ATOM 0 H GLY A 117 9.257 3.999 13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 117 11.171 4.837 14.632 1.00 0.00 H new ATOM 0 HA3 GLY A 117 10.280 6.243 15.178 1.00 0.00 H new ATOM 1794 N PRO A 118 11.228 5.484 17.435 1.00 0.00 N ATOM 1795 CA PRO A 118 11.482 5.178 18.846 1.00 0.00 C ATOM 1796 C PRO A 118 10.236 5.346 19.709 1.00 0.00 C ATOM 1797 O PRO A 118 9.215 5.857 19.250 1.00 0.00 O ATOM 1798 CB PRO A 118 12.550 6.200 19.244 1.00 0.00 C ATOM 1799 CG PRO A 118 12.356 7.337 18.300 1.00 0.00 C ATOM 1800 CD PRO A 118 11.891 6.727 17.007 1.00 0.00 C ATOM 0 HA PRO A 118 11.789 4.142 18.989 1.00 0.00 H new ATOM 0 HB2 PRO A 118 12.427 6.519 20.279 1.00 0.00 H new ATOM 0 HB3 PRO A 118 13.552 5.780 19.157 1.00 0.00 H new ATOM 0 HG2 PRO A 118 11.620 8.043 18.685 1.00 0.00 H new ATOM 0 HG3 PRO A 118 13.285 7.890 18.159 1.00 0.00 H new ATOM 0 HD2 PRO A 118 11.204 7.386 16.476 1.00 0.00 H new ATOM 0 HD3 PRO A 118 12.725 6.527 16.334 1.00 0.00 H new ATOM 1808 N SER A 119 10.328 4.913 20.963 1.00 0.00 N ATOM 1809 CA SER A 119 9.206 5.013 21.890 1.00 0.00 C ATOM 1810 C SER A 119 9.141 6.403 22.515 1.00 0.00 C ATOM 1811 O SER A 119 10.154 7.091 22.634 1.00 0.00 O ATOM 1812 CB SER A 119 9.328 3.954 22.986 1.00 0.00 C ATOM 1813 OG SER A 119 9.376 2.650 22.433 1.00 0.00 O ATOM 0 H SER A 119 11.167 4.490 21.360 1.00 0.00 H new ATOM 0 HA SER A 119 8.287 4.842 21.330 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.228 4.136 23.574 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.481 4.032 23.667 1.00 0.00 H new ATOM 0 HG SER A 119 9.456 1.991 23.154 1.00 0.00 H new ATOM 1819 N SER A 120 7.939 6.810 22.913 1.00 0.00 N ATOM 1820 CA SER A 120 7.739 8.119 23.523 1.00 0.00 C ATOM 1821 C SER A 120 6.857 8.011 24.763 1.00 0.00 C ATOM 1822 O SER A 120 7.258 8.398 25.860 1.00 0.00 O ATOM 1823 CB SER A 120 7.108 9.083 22.516 1.00 0.00 C ATOM 1824 OG SER A 120 8.039 9.457 21.516 1.00 0.00 O ATOM 0 H SER A 120 7.090 6.252 22.824 1.00 0.00 H new ATOM 0 HA SER A 120 8.713 8.505 23.824 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.241 8.613 22.052 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.750 9.972 23.035 1.00 0.00 H new ATOM 0 HG SER A 120 7.611 10.072 20.884 1.00 0.00 H new ATOM 1830 N GLY A 121 5.650 7.483 24.579 1.00 0.00 N ATOM 1831 CA GLY A 121 4.729 7.333 25.691 1.00 0.00 C ATOM 1832 C GLY A 121 5.288 6.457 26.794 1.00 0.00 C ATOM 1833 O GLY A 121 4.565 5.657 27.386 1.00 0.00 O ATOM 0 H GLY A 121 5.294 7.157 23.680 1.00 0.00 H new ATOM 0 HA2 GLY A 121 4.492 8.316 26.097 1.00 0.00 H new ATOM 0 HA3 GLY A 121 3.795 6.904 25.329 1.00 0.00 H new TER 1837 GLY A 121