USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 833 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 49 ASN : amide:sc= -3.52! C(o=-3.5!,f=-13!) USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.686 X(o=-0.69,f=-0.87) USER MOD Single : A 18 SER OG : rot 48:sc= 1.07 USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -5.31! (180deg=-5.61!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0571 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 154:sc= 0.225 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -170:sc=-0.00772 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot -47:sc= 0.879 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -176:sc= -0.0237 (180deg=-0.0866) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.6) USER MOD Single : A 80 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0814) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc=-0.00691 X(o=-0.0069,f=-0.37) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.070 -11.788 -23.272 1.00 0.00 N ATOM 2 CA GLY A 1 -24.141 -12.756 -22.193 1.00 0.00 C ATOM 3 C GLY A 1 -24.235 -14.182 -22.699 1.00 0.00 C ATOM 4 O GLY A 1 -23.450 -15.042 -22.300 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.007 -10.829 -22.874 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.229 -11.978 -23.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.923 -11.863 -23.862 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.259 -12.656 -21.560 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.008 -12.537 -21.569 1.00 0.00 H new ATOM 8 N SER A 2 -25.199 -14.434 -23.578 1.00 0.00 N ATOM 9 CA SER A 2 -25.397 -15.767 -24.135 1.00 0.00 C ATOM 10 C SER A 2 -24.058 -16.448 -24.404 1.00 0.00 C ATOM 11 O SER A 2 -23.953 -17.674 -24.367 1.00 0.00 O ATOM 12 CB SER A 2 -26.210 -15.688 -25.429 1.00 0.00 C ATOM 13 OG SER A 2 -25.518 -14.950 -26.421 1.00 0.00 O ATOM 0 H SER A 2 -25.856 -13.732 -23.920 1.00 0.00 H new ATOM 0 HA SER A 2 -25.947 -16.360 -23.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.414 -16.694 -25.796 1.00 0.00 H new ATOM 0 HB3 SER A 2 -27.174 -15.220 -25.229 1.00 0.00 H new ATOM 0 HG SER A 2 -26.057 -14.915 -27.239 1.00 0.00 H new ATOM 19 N SER A 3 -23.036 -15.642 -24.674 1.00 0.00 N ATOM 20 CA SER A 3 -21.703 -16.165 -24.953 1.00 0.00 C ATOM 21 C SER A 3 -21.113 -16.836 -23.716 1.00 0.00 C ATOM 22 O SER A 3 -20.789 -18.023 -23.734 1.00 0.00 O ATOM 23 CB SER A 3 -20.780 -15.041 -25.427 1.00 0.00 C ATOM 24 OG SER A 3 -19.651 -15.561 -26.107 1.00 0.00 O ATOM 0 H SER A 3 -23.105 -14.625 -24.706 1.00 0.00 H new ATOM 0 HA SER A 3 -21.790 -16.911 -25.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.329 -14.370 -26.087 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.453 -14.450 -24.572 1.00 0.00 H new ATOM 0 HG SER A 3 -19.078 -14.823 -26.401 1.00 0.00 H new ATOM 30 N GLY A 4 -20.976 -16.065 -22.641 1.00 0.00 N ATOM 31 CA GLY A 4 -20.425 -16.601 -21.410 1.00 0.00 C ATOM 32 C GLY A 4 -18.973 -16.216 -21.209 1.00 0.00 C ATOM 33 O GLY A 4 -18.673 -15.116 -20.746 1.00 0.00 O ATOM 0 H GLY A 4 -21.237 -15.080 -22.601 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.013 -16.242 -20.566 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.512 -17.688 -21.420 1.00 0.00 H new ATOM 37 N SER A 5 -18.068 -17.126 -21.557 1.00 0.00 N ATOM 38 CA SER A 5 -16.639 -16.879 -21.407 1.00 0.00 C ATOM 39 C SER A 5 -16.059 -16.258 -22.675 1.00 0.00 C ATOM 40 O SER A 5 -15.843 -16.945 -23.673 1.00 0.00 O ATOM 41 CB SER A 5 -15.906 -18.181 -21.083 1.00 0.00 C ATOM 42 OG SER A 5 -16.016 -18.499 -19.706 1.00 0.00 O ATOM 0 H SER A 5 -18.299 -18.041 -21.945 1.00 0.00 H new ATOM 0 HA SER A 5 -16.501 -16.178 -20.584 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.319 -18.993 -21.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.855 -18.088 -21.355 1.00 0.00 H new ATOM 0 HG SER A 5 -15.541 -19.337 -19.525 1.00 0.00 H new ATOM 48 N SER A 6 -15.810 -14.953 -22.627 1.00 0.00 N ATOM 49 CA SER A 6 -15.259 -14.237 -23.771 1.00 0.00 C ATOM 50 C SER A 6 -14.572 -12.949 -23.328 1.00 0.00 C ATOM 51 O SER A 6 -14.703 -12.526 -22.180 1.00 0.00 O ATOM 52 CB SER A 6 -16.365 -13.918 -24.780 1.00 0.00 C ATOM 53 OG SER A 6 -17.258 -12.945 -24.266 1.00 0.00 O ATOM 0 H SER A 6 -15.981 -14.370 -21.808 1.00 0.00 H new ATOM 0 HA SER A 6 -14.517 -14.878 -24.246 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.922 -13.556 -25.708 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.914 -14.828 -25.023 1.00 0.00 H new ATOM 0 HG SER A 6 -17.954 -12.757 -24.930 1.00 0.00 H new ATOM 59 N GLY A 7 -13.838 -12.330 -24.247 1.00 0.00 N ATOM 60 CA GLY A 7 -13.141 -11.097 -23.933 1.00 0.00 C ATOM 61 C GLY A 7 -13.765 -9.890 -24.604 1.00 0.00 C ATOM 62 O GLY A 7 -13.134 -9.240 -25.436 1.00 0.00 O ATOM 0 H GLY A 7 -13.714 -12.661 -25.204 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.141 -10.949 -22.853 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.100 -11.183 -24.243 1.00 0.00 H new ATOM 66 N GLU A 8 -15.009 -9.591 -24.243 1.00 0.00 N ATOM 67 CA GLU A 8 -15.720 -8.456 -24.819 1.00 0.00 C ATOM 68 C GLU A 8 -16.289 -7.558 -23.724 1.00 0.00 C ATOM 69 O GLU A 8 -17.288 -7.894 -23.088 1.00 0.00 O ATOM 70 CB GLU A 8 -16.847 -8.941 -25.733 1.00 0.00 C ATOM 71 CG GLU A 8 -16.408 -9.176 -27.169 1.00 0.00 C ATOM 72 CD GLU A 8 -15.915 -7.911 -27.843 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.758 -7.059 -28.196 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.686 -7.772 -28.018 1.00 0.00 O ATOM 0 H GLU A 8 -15.545 -10.119 -23.554 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.009 -7.876 -25.408 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.256 -9.868 -25.331 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -17.652 -8.207 -25.724 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -15.615 -9.924 -27.185 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -17.243 -9.584 -27.738 1.00 0.00 H new ATOM 81 N ILE A 9 -15.645 -6.415 -23.511 1.00 0.00 N ATOM 82 CA ILE A 9 -16.087 -5.469 -22.494 1.00 0.00 C ATOM 83 C ILE A 9 -17.522 -5.018 -22.749 1.00 0.00 C ATOM 84 O ILE A 9 -18.019 -5.104 -23.871 1.00 0.00 O ATOM 85 CB ILE A 9 -15.174 -4.230 -22.443 1.00 0.00 C ATOM 86 CG1 ILE A 9 -15.216 -3.483 -23.777 1.00 0.00 C ATOM 87 CG2 ILE A 9 -13.748 -4.637 -22.102 1.00 0.00 C ATOM 88 CD1 ILE A 9 -14.982 -1.994 -23.643 1.00 0.00 C ATOM 0 H ILE A 9 -14.816 -6.122 -24.029 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.036 -5.988 -21.537 1.00 0.00 H new ATOM 0 HB ILE A 9 -15.537 -3.561 -21.663 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.462 -3.903 -24.443 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.185 -3.650 -24.247 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.115 -3.751 -22.070 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.733 -5.130 -21.130 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.374 -5.323 -22.862 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.026 -1.529 -24.628 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.751 -1.561 -23.003 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.001 -1.818 -23.202 1.00 0.00 H new ATOM 100 N GLU A 10 -18.180 -4.536 -21.699 1.00 0.00 N ATOM 101 CA GLU A 10 -19.557 -4.071 -21.810 1.00 0.00 C ATOM 102 C GLU A 10 -19.815 -2.903 -20.862 1.00 0.00 C ATOM 103 O GLU A 10 -18.941 -2.514 -20.088 1.00 0.00 O ATOM 104 CB GLU A 10 -20.531 -5.212 -21.508 1.00 0.00 C ATOM 105 CG GLU A 10 -20.892 -6.043 -22.727 1.00 0.00 C ATOM 106 CD GLU A 10 -21.404 -7.423 -22.362 1.00 0.00 C ATOM 107 OE1 GLU A 10 -22.067 -7.550 -21.312 1.00 0.00 O ATOM 108 OE2 GLU A 10 -21.141 -8.375 -23.126 1.00 0.00 O ATOM 0 H GLU A 10 -17.782 -4.458 -20.763 1.00 0.00 H new ATOM 0 HA GLU A 10 -19.716 -3.729 -22.833 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -20.092 -5.863 -20.752 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -21.443 -4.796 -21.079 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -21.652 -5.519 -23.307 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -20.015 -6.142 -23.367 1.00 0.00 H new ATOM 115 N ILE A 11 -21.021 -2.349 -20.930 1.00 0.00 N ATOM 116 CA ILE A 11 -21.395 -1.227 -20.078 1.00 0.00 C ATOM 117 C ILE A 11 -21.942 -1.711 -18.739 1.00 0.00 C ATOM 118 O ILE A 11 -21.640 -1.140 -17.691 1.00 0.00 O ATOM 119 CB ILE A 11 -22.448 -0.331 -20.756 1.00 0.00 C ATOM 120 CG1 ILE A 11 -21.921 0.189 -22.095 1.00 0.00 C ATOM 121 CG2 ILE A 11 -22.826 0.826 -19.844 1.00 0.00 C ATOM 122 CD1 ILE A 11 -23.003 0.732 -23.001 1.00 0.00 C ATOM 0 H ILE A 11 -21.756 -2.659 -21.566 1.00 0.00 H new ATOM 0 HA ILE A 11 -20.489 -0.645 -19.909 1.00 0.00 H new ATOM 0 HB ILE A 11 -23.342 -0.926 -20.945 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -21.188 0.974 -21.908 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -21.399 -0.618 -22.609 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -23.571 1.450 -20.338 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -23.238 0.436 -18.913 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -21.940 1.422 -19.627 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -22.556 1.083 -23.931 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -23.724 -0.056 -23.219 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -23.509 1.561 -22.507 1.00 0.00 H new ATOM 134 N CYS A 12 -22.745 -2.768 -18.782 1.00 0.00 N ATOM 135 CA CYS A 12 -23.334 -3.331 -17.572 1.00 0.00 C ATOM 136 C CYS A 12 -22.269 -3.558 -16.505 1.00 0.00 C ATOM 137 O CYS A 12 -22.326 -3.003 -15.407 1.00 0.00 O ATOM 138 CB CYS A 12 -24.044 -4.647 -17.890 1.00 0.00 C ATOM 139 SG CYS A 12 -25.810 -4.469 -18.236 1.00 0.00 S ATOM 0 H CYS A 12 -23.003 -3.253 -19.642 1.00 0.00 H new ATOM 0 HA CYS A 12 -24.063 -2.618 -17.186 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -23.561 -5.109 -18.751 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -23.916 -5.329 -17.049 1.00 0.00 H new ATOM 0 HG CYS A 12 -26.321 -5.636 -18.496 1.00 0.00 H new ATOM 145 N PRO A 13 -21.274 -4.396 -16.831 1.00 0.00 N ATOM 146 CA PRO A 13 -20.177 -4.718 -15.912 1.00 0.00 C ATOM 147 C PRO A 13 -19.240 -3.535 -15.691 1.00 0.00 C ATOM 148 O PRO A 13 -19.535 -2.411 -16.099 1.00 0.00 O ATOM 149 CB PRO A 13 -19.442 -5.857 -16.623 1.00 0.00 C ATOM 150 CG PRO A 13 -19.751 -5.664 -18.068 1.00 0.00 C ATOM 151 CD PRO A 13 -21.142 -5.094 -18.121 1.00 0.00 C ATOM 0 HA PRO A 13 -20.541 -4.982 -14.919 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -18.369 -5.812 -16.438 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.785 -6.830 -16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -19.034 -4.988 -18.534 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -19.695 -6.609 -18.609 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.265 -4.411 -18.962 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -21.893 -5.876 -18.233 1.00 0.00 H new ATOM 159 N LYS A 14 -18.109 -3.795 -15.044 1.00 0.00 N ATOM 160 CA LYS A 14 -17.127 -2.753 -14.770 1.00 0.00 C ATOM 161 C LYS A 14 -15.925 -2.880 -15.699 1.00 0.00 C ATOM 162 O LYS A 14 -15.814 -3.842 -16.460 1.00 0.00 O ATOM 163 CB LYS A 14 -16.668 -2.827 -13.312 1.00 0.00 C ATOM 164 CG LYS A 14 -17.803 -2.698 -12.310 1.00 0.00 C ATOM 165 CD LYS A 14 -18.393 -4.053 -11.958 1.00 0.00 C ATOM 166 CE LYS A 14 -19.682 -3.911 -11.164 1.00 0.00 C ATOM 167 NZ LYS A 14 -20.406 -5.207 -11.045 1.00 0.00 N ATOM 0 H LYS A 14 -17.850 -4.719 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 14 -17.600 -1.787 -14.947 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -16.156 -3.775 -13.149 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.941 -2.036 -13.128 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -17.437 -2.213 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -18.582 -2.057 -12.722 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -18.587 -4.615 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.669 -4.627 -11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.455 -3.529 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.327 -3.178 -11.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.279 -5.068 -10.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.645 -5.559 -11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.800 -5.900 -10.561 1.00 0.00 H new ATOM 181 N VAL A 15 -15.025 -1.903 -15.633 1.00 0.00 N ATOM 182 CA VAL A 15 -13.829 -1.908 -16.467 1.00 0.00 C ATOM 183 C VAL A 15 -12.578 -1.649 -15.635 1.00 0.00 C ATOM 184 O VAL A 15 -12.597 -0.852 -14.696 1.00 0.00 O ATOM 185 CB VAL A 15 -13.919 -0.849 -17.582 1.00 0.00 C ATOM 186 CG1 VAL A 15 -14.950 -1.256 -18.624 1.00 0.00 C ATOM 187 CG2 VAL A 15 -14.251 0.515 -16.996 1.00 0.00 C ATOM 0 H VAL A 15 -15.102 -1.099 -15.011 1.00 0.00 H new ATOM 0 HA VAL A 15 -13.762 -2.897 -16.920 1.00 0.00 H new ATOM 0 HB VAL A 15 -12.948 -0.781 -18.073 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.999 -0.496 -19.403 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -14.664 -2.210 -19.066 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -15.927 -1.354 -18.150 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.311 1.251 -17.798 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.208 0.465 -16.478 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.472 0.808 -16.292 1.00 0.00 H new ATOM 197 N THR A 16 -11.490 -2.327 -15.986 1.00 0.00 N ATOM 198 CA THR A 16 -10.229 -2.172 -15.271 1.00 0.00 C ATOM 199 C THR A 16 -9.411 -1.021 -15.845 1.00 0.00 C ATOM 200 O THR A 16 -9.367 -0.824 -17.059 1.00 0.00 O ATOM 201 CB THR A 16 -9.390 -3.462 -15.327 1.00 0.00 C ATOM 202 OG1 THR A 16 -9.222 -3.879 -16.686 1.00 0.00 O ATOM 203 CG2 THR A 16 -10.053 -4.574 -14.528 1.00 0.00 C ATOM 0 H THR A 16 -11.457 -2.989 -16.761 1.00 0.00 H new ATOM 0 HA THR A 16 -10.478 -1.955 -14.232 1.00 0.00 H new ATOM 0 HB THR A 16 -8.414 -3.253 -14.889 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.686 -4.699 -16.713 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.442 -5.475 -14.582 1.00 0.00 H new ATOM 0 HG22 THR A 16 -10.152 -4.265 -13.487 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.041 -4.780 -14.941 1.00 0.00 H new ATOM 211 N GLN A 17 -8.763 -0.265 -14.965 1.00 0.00 N ATOM 212 CA GLN A 17 -7.945 0.866 -15.386 1.00 0.00 C ATOM 213 C GLN A 17 -6.570 0.819 -14.727 1.00 0.00 C ATOM 214 O GLN A 17 -6.453 0.558 -13.530 1.00 0.00 O ATOM 215 CB GLN A 17 -8.644 2.183 -15.042 1.00 0.00 C ATOM 216 CG GLN A 17 -8.938 2.347 -13.559 1.00 0.00 C ATOM 217 CD GLN A 17 -9.541 3.698 -13.229 1.00 0.00 C ATOM 218 OE1 GLN A 17 -9.294 4.686 -13.921 1.00 0.00 O ATOM 219 NE2 GLN A 17 -10.338 3.748 -12.168 1.00 0.00 N ATOM 0 H GLN A 17 -8.789 -0.415 -13.956 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.812 0.804 -16.466 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.021 3.013 -15.374 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.579 2.244 -15.598 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.621 1.561 -13.239 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.015 2.217 -12.993 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.515 2.904 -11.623 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.773 4.630 -11.898 1.00 0.00 H new ATOM 228 N SER A 18 -5.532 1.074 -15.517 1.00 0.00 N ATOM 229 CA SER A 18 -4.165 1.056 -15.012 1.00 0.00 C ATOM 230 C SER A 18 -3.674 2.471 -14.722 1.00 0.00 C ATOM 231 O SER A 18 -3.394 3.243 -15.639 1.00 0.00 O ATOM 232 CB SER A 18 -3.234 0.379 -16.020 1.00 0.00 C ATOM 233 OG SER A 18 -3.072 1.176 -17.180 1.00 0.00 O ATOM 0 H SER A 18 -5.612 1.296 -16.509 1.00 0.00 H new ATOM 0 HA SER A 18 -4.156 0.488 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.262 0.200 -15.559 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.639 -0.594 -16.297 1.00 0.00 H new ATOM 0 HG SER A 18 -2.874 2.099 -16.918 1.00 0.00 H new ATOM 239 N ILE A 19 -3.574 2.804 -13.439 1.00 0.00 N ATOM 240 CA ILE A 19 -3.117 4.126 -13.028 1.00 0.00 C ATOM 241 C ILE A 19 -1.610 4.138 -12.794 1.00 0.00 C ATOM 242 O ILE A 19 -1.114 3.545 -11.835 1.00 0.00 O ATOM 243 CB ILE A 19 -3.828 4.593 -11.744 1.00 0.00 C ATOM 244 CG1 ILE A 19 -5.339 4.663 -11.969 1.00 0.00 C ATOM 245 CG2 ILE A 19 -3.289 5.945 -11.302 1.00 0.00 C ATOM 246 CD1 ILE A 19 -6.059 3.372 -11.647 1.00 0.00 C ATOM 0 H ILE A 19 -3.803 2.177 -12.667 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.362 4.811 -13.839 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.631 3.869 -10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.753 5.463 -11.355 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.531 4.927 -13.009 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.801 6.262 -10.393 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.220 5.864 -11.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.459 6.680 -12.089 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.126 3.495 -11.830 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.673 2.572 -12.279 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.897 3.117 -10.600 1.00 0.00 H new ATOM 258 N HIS A 20 -0.885 4.819 -13.676 1.00 0.00 N ATOM 259 CA HIS A 20 0.566 4.911 -13.565 1.00 0.00 C ATOM 260 C HIS A 20 0.988 6.300 -13.094 1.00 0.00 C ATOM 261 O HIS A 20 0.923 7.269 -13.851 1.00 0.00 O ATOM 262 CB HIS A 20 1.223 4.595 -14.909 1.00 0.00 C ATOM 263 CG HIS A 20 1.432 3.130 -15.144 1.00 0.00 C ATOM 264 ND1 HIS A 20 0.572 2.358 -15.896 1.00 0.00 N ATOM 265 CD2 HIS A 20 2.411 2.297 -14.722 1.00 0.00 C ATOM 266 CE1 HIS A 20 1.012 1.113 -15.925 1.00 0.00 C ATOM 267 NE2 HIS A 20 2.128 1.050 -15.220 1.00 0.00 N ATOM 0 H HIS A 20 -1.279 5.315 -14.475 1.00 0.00 H new ATOM 0 HA HIS A 20 0.896 4.180 -12.827 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.604 4.998 -15.710 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.185 5.104 -14.962 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.258 2.564 -14.107 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.540 0.287 -16.437 1.00 0.00 H new ATOM 0 HE2 HIS A 20 2.688 0.211 -15.070 1.00 0.00 H new ATOM 276 N ILE A 21 1.419 6.388 -11.840 1.00 0.00 N ATOM 277 CA ILE A 21 1.851 7.658 -11.269 1.00 0.00 C ATOM 278 C ILE A 21 3.373 7.757 -11.237 1.00 0.00 C ATOM 279 O ILE A 21 4.067 6.747 -11.129 1.00 0.00 O ATOM 280 CB ILE A 21 1.305 7.848 -9.842 1.00 0.00 C ATOM 281 CG1 ILE A 21 -0.186 7.509 -9.794 1.00 0.00 C ATOM 282 CG2 ILE A 21 1.546 9.274 -9.368 1.00 0.00 C ATOM 283 CD1 ILE A 21 -0.653 7.026 -8.438 1.00 0.00 C ATOM 0 H ILE A 21 1.478 5.596 -11.200 1.00 0.00 H new ATOM 0 HA ILE A 21 1.452 8.444 -11.910 1.00 0.00 H new ATOM 0 HB ILE A 21 1.834 7.170 -9.173 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.760 8.392 -10.074 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.400 6.741 -10.538 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.154 9.393 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.616 9.482 -9.369 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.040 9.970 -10.037 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.719 6.804 -8.478 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.105 6.124 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.471 7.801 -7.693 1.00 0.00 H new ATOM 295 N GLU A 22 3.883 8.980 -11.330 1.00 0.00 N ATOM 296 CA GLU A 22 5.323 9.211 -11.310 1.00 0.00 C ATOM 297 C GLU A 22 5.651 10.546 -10.648 1.00 0.00 C ATOM 298 O GLU A 22 5.028 11.567 -10.939 1.00 0.00 O ATOM 299 CB GLU A 22 5.886 9.182 -12.732 1.00 0.00 C ATOM 300 CG GLU A 22 5.657 7.863 -13.451 1.00 0.00 C ATOM 301 CD GLU A 22 6.445 7.757 -14.742 1.00 0.00 C ATOM 302 OE1 GLU A 22 7.651 8.081 -14.728 1.00 0.00 O ATOM 303 OE2 GLU A 22 5.857 7.351 -15.765 1.00 0.00 O ATOM 0 H GLU A 22 3.321 9.827 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 22 5.785 8.414 -10.728 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.430 9.985 -13.311 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.956 9.384 -12.694 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.935 7.041 -12.791 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.595 7.752 -13.668 1.00 0.00 H new ATOM 310 N LYS A 23 6.635 10.530 -9.755 1.00 0.00 N ATOM 311 CA LYS A 23 7.049 11.738 -9.051 1.00 0.00 C ATOM 312 C LYS A 23 8.357 12.278 -9.620 1.00 0.00 C ATOM 313 O LYS A 23 8.999 11.631 -10.446 1.00 0.00 O ATOM 314 CB LYS A 23 7.210 11.452 -7.556 1.00 0.00 C ATOM 315 CG LYS A 23 5.975 10.841 -6.917 1.00 0.00 C ATOM 316 CD LYS A 23 5.854 11.229 -5.453 1.00 0.00 C ATOM 317 CE LYS A 23 5.057 12.513 -5.281 1.00 0.00 C ATOM 318 NZ LYS A 23 5.357 13.501 -6.354 1.00 0.00 N ATOM 0 H LYS A 23 7.161 9.693 -9.502 1.00 0.00 H new ATOM 0 HA LYS A 23 6.274 12.492 -9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.054 10.778 -7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.453 12.381 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.086 11.169 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.019 9.755 -7.004 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.371 10.423 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.849 11.357 -5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.992 12.283 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.282 12.953 -4.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.689 14.295 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.328 13.855 -6.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.264 13.043 -7.283 1.00 0.00 H new ATOM 332 N SER A 24 8.746 13.467 -9.170 1.00 0.00 N ATOM 333 CA SER A 24 9.977 14.095 -9.636 1.00 0.00 C ATOM 334 C SER A 24 10.940 14.330 -8.476 1.00 0.00 C ATOM 335 O SER A 24 11.995 13.701 -8.394 1.00 0.00 O ATOM 336 CB SER A 24 9.666 15.421 -10.333 1.00 0.00 C ATOM 337 OG SER A 24 8.856 16.248 -9.516 1.00 0.00 O ATOM 0 H SER A 24 8.227 14.014 -8.484 1.00 0.00 H new ATOM 0 HA SER A 24 10.452 13.421 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 24 10.596 15.938 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.158 15.229 -11.278 1.00 0.00 H new ATOM 0 HG SER A 24 8.673 17.090 -9.983 1.00 0.00 H new ATOM 343 N ASP A 25 10.569 15.241 -7.583 1.00 0.00 N ATOM 344 CA ASP A 25 11.398 15.560 -6.427 1.00 0.00 C ATOM 345 C ASP A 25 11.040 14.671 -5.240 1.00 0.00 C ATOM 346 O ASP A 25 10.590 15.155 -4.200 1.00 0.00 O ATOM 347 CB ASP A 25 11.233 17.032 -6.045 1.00 0.00 C ATOM 348 CG ASP A 25 11.662 17.969 -7.156 1.00 0.00 C ATOM 349 OD1 ASP A 25 11.219 17.768 -8.306 1.00 0.00 O ATOM 350 OD2 ASP A 25 12.442 18.904 -6.877 1.00 0.00 O ATOM 0 H ASP A 25 9.700 15.771 -7.638 1.00 0.00 H new ATOM 0 HA ASP A 25 12.438 15.376 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.190 17.225 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.820 17.240 -5.151 1.00 0.00 H new ATOM 355 N THR A 26 11.241 13.367 -5.401 1.00 0.00 N ATOM 356 CA THR A 26 10.938 12.410 -4.345 1.00 0.00 C ATOM 357 C THR A 26 11.464 12.892 -2.998 1.00 0.00 C ATOM 358 O THR A 26 10.915 12.556 -1.949 1.00 0.00 O ATOM 359 CB THR A 26 11.539 11.025 -4.651 1.00 0.00 C ATOM 360 OG1 THR A 26 12.959 11.129 -4.799 1.00 0.00 O ATOM 361 CG2 THR A 26 10.933 10.441 -5.919 1.00 0.00 C ATOM 0 H THR A 26 11.613 12.949 -6.254 1.00 0.00 H new ATOM 0 HA THR A 26 9.852 12.325 -4.299 1.00 0.00 H new ATOM 0 HB THR A 26 11.309 10.361 -3.818 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.334 10.244 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.372 9.463 -6.115 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.855 10.336 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.136 11.105 -6.759 1.00 0.00 H new ATOM 369 N ALA A 27 12.531 13.684 -3.034 1.00 0.00 N ATOM 370 CA ALA A 27 13.130 14.215 -1.816 1.00 0.00 C ATOM 371 C ALA A 27 12.071 14.829 -0.907 1.00 0.00 C ATOM 372 O ALA A 27 12.066 14.596 0.302 1.00 0.00 O ATOM 373 CB ALA A 27 14.197 15.245 -2.157 1.00 0.00 C ATOM 0 H ALA A 27 12.998 13.972 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 27 13.597 13.389 -1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.635 15.633 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 27 14.975 14.777 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.746 16.064 -2.717 1.00 0.00 H new ATOM 379 N ALA A 28 11.176 15.616 -1.496 1.00 0.00 N ATOM 380 CA ALA A 28 10.112 16.262 -0.738 1.00 0.00 C ATOM 381 C ALA A 28 8.740 15.885 -1.287 1.00 0.00 C ATOM 382 O ALA A 28 7.849 15.487 -0.537 1.00 0.00 O ATOM 383 CB ALA A 28 10.293 17.773 -0.758 1.00 0.00 C ATOM 0 H ALA A 28 11.167 15.821 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 28 10.170 15.913 0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.491 18.243 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.254 18.030 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.263 18.129 -1.788 1.00 0.00 H new ATOM 389 N ASP A 29 8.577 16.012 -2.600 1.00 0.00 N ATOM 390 CA ASP A 29 7.314 15.684 -3.249 1.00 0.00 C ATOM 391 C ASP A 29 6.928 14.232 -2.985 1.00 0.00 C ATOM 392 O ASP A 29 7.487 13.311 -3.582 1.00 0.00 O ATOM 393 CB ASP A 29 7.410 15.934 -4.755 1.00 0.00 C ATOM 394 CG ASP A 29 7.196 17.390 -5.115 1.00 0.00 C ATOM 395 OD1 ASP A 29 6.393 18.060 -4.430 1.00 0.00 O ATOM 396 OD2 ASP A 29 7.831 17.862 -6.082 1.00 0.00 O ATOM 0 H ASP A 29 9.305 16.340 -3.235 1.00 0.00 H new ATOM 0 HA ASP A 29 6.541 16.328 -2.830 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.389 15.615 -5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.669 15.323 -5.270 1.00 0.00 H new ATOM 401 N THR A 30 5.970 14.033 -2.085 1.00 0.00 N ATOM 402 CA THR A 30 5.511 12.694 -1.740 1.00 0.00 C ATOM 403 C THR A 30 4.091 12.453 -2.239 1.00 0.00 C ATOM 404 O THR A 30 3.253 13.355 -2.212 1.00 0.00 O ATOM 405 CB THR A 30 5.556 12.459 -0.218 1.00 0.00 C ATOM 406 OG1 THR A 30 5.145 11.121 0.083 1.00 0.00 O ATOM 407 CG2 THR A 30 4.656 13.447 0.508 1.00 0.00 C ATOM 0 H THR A 30 5.497 14.783 -1.582 1.00 0.00 H new ATOM 0 HA THR A 30 6.188 11.993 -2.228 1.00 0.00 H new ATOM 0 HB THR A 30 6.581 12.608 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.178 10.979 1.052 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.704 13.262 1.581 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.989 14.464 0.300 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.629 13.324 0.164 1.00 0.00 H new ATOM 415 N TYR A 31 3.827 11.233 -2.692 1.00 0.00 N ATOM 416 CA TYR A 31 2.507 10.875 -3.198 1.00 0.00 C ATOM 417 C TYR A 31 1.408 11.513 -2.354 1.00 0.00 C ATOM 418 O TYR A 31 0.768 12.476 -2.772 1.00 0.00 O ATOM 419 CB TYR A 31 2.338 9.355 -3.211 1.00 0.00 C ATOM 420 CG TYR A 31 3.220 8.656 -4.220 1.00 0.00 C ATOM 421 CD1 TYR A 31 3.193 9.014 -5.562 1.00 0.00 C ATOM 422 CD2 TYR A 31 4.082 7.638 -3.831 1.00 0.00 C ATOM 423 CE1 TYR A 31 3.996 8.378 -6.488 1.00 0.00 C ATOM 424 CE2 TYR A 31 4.891 6.997 -4.750 1.00 0.00 C ATOM 425 CZ TYR A 31 4.844 7.370 -6.077 1.00 0.00 C ATOM 426 OH TYR A 31 5.647 6.735 -6.996 1.00 0.00 O ATOM 0 H TYR A 31 4.509 10.475 -2.719 1.00 0.00 H new ATOM 0 HA TYR A 31 2.422 11.252 -4.217 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.558 8.965 -2.217 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.296 9.116 -3.424 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.532 9.804 -5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 31 4.120 7.343 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.961 8.668 -7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.556 6.208 -4.431 1.00 0.00 H new ATOM 0 HH TYR A 31 6.444 6.384 -6.547 1.00 0.00 H new ATOM 436 N GLY A 32 1.196 10.968 -1.160 1.00 0.00 N ATOM 437 CA GLY A 32 0.175 11.496 -0.274 1.00 0.00 C ATOM 438 C GLY A 32 -0.892 10.471 0.057 1.00 0.00 C ATOM 439 O GLY A 32 -1.631 10.626 1.030 1.00 0.00 O ATOM 0 H GLY A 32 1.713 10.170 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.642 11.841 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.292 12.364 -0.739 1.00 0.00 H new ATOM 443 N PHE A 33 -0.974 9.422 -0.754 1.00 0.00 N ATOM 444 CA PHE A 33 -1.960 8.368 -0.544 1.00 0.00 C ATOM 445 C PHE A 33 -1.315 7.136 0.082 1.00 0.00 C ATOM 446 O PHE A 33 -0.214 6.737 -0.299 1.00 0.00 O ATOM 447 CB PHE A 33 -2.626 7.992 -1.869 1.00 0.00 C ATOM 448 CG PHE A 33 -1.928 6.878 -2.595 1.00 0.00 C ATOM 449 CD1 PHE A 33 -0.586 6.981 -2.924 1.00 0.00 C ATOM 450 CD2 PHE A 33 -2.614 5.726 -2.948 1.00 0.00 C ATOM 451 CE1 PHE A 33 0.058 5.957 -3.593 1.00 0.00 C ATOM 452 CE2 PHE A 33 -1.974 4.699 -3.617 1.00 0.00 C ATOM 453 CZ PHE A 33 -0.636 4.815 -3.938 1.00 0.00 C ATOM 0 H PHE A 33 -0.370 9.279 -1.563 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.719 8.746 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.658 7.700 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.658 8.871 -2.513 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.037 7.871 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.660 5.630 -2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.104 6.051 -3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.520 3.807 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.133 4.013 -4.458 1.00 0.00 H new ATOM 463 N SER A 34 -2.008 6.537 1.046 1.00 0.00 N ATOM 464 CA SER A 34 -1.501 5.352 1.729 1.00 0.00 C ATOM 465 C SER A 34 -2.395 4.146 1.459 1.00 0.00 C ATOM 466 O SER A 34 -3.517 4.287 0.970 1.00 0.00 O ATOM 467 CB SER A 34 -1.408 5.606 3.234 1.00 0.00 C ATOM 468 OG SER A 34 -0.377 4.830 3.820 1.00 0.00 O ATOM 0 H SER A 34 -2.922 6.853 1.371 1.00 0.00 H new ATOM 0 HA SER A 34 -0.505 5.138 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.219 6.664 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.361 5.366 3.706 1.00 0.00 H new ATOM 0 HG SER A 34 -0.337 5.012 4.782 1.00 0.00 H new ATOM 474 N LEU A 35 -1.891 2.960 1.782 1.00 0.00 N ATOM 475 CA LEU A 35 -2.643 1.727 1.576 1.00 0.00 C ATOM 476 C LEU A 35 -2.815 0.968 2.888 1.00 0.00 C ATOM 477 O LEU A 35 -1.836 0.566 3.517 1.00 0.00 O ATOM 478 CB LEU A 35 -1.936 0.841 0.550 1.00 0.00 C ATOM 479 CG LEU A 35 -2.051 1.281 -0.910 1.00 0.00 C ATOM 480 CD1 LEU A 35 -1.089 0.491 -1.783 1.00 0.00 C ATOM 481 CD2 LEU A 35 -3.480 1.119 -1.405 1.00 0.00 C ATOM 0 H LEU A 35 -0.965 2.826 2.188 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.631 1.992 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.879 0.790 0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.335 -0.170 0.636 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.784 2.336 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.185 0.818 -2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.067 0.659 -1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.324 -0.571 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.543 1.437 -2.446 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.776 0.073 -1.327 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.147 1.731 -0.798 1.00 0.00 H new ATOM 493 N SER A 36 -4.066 0.774 3.294 1.00 0.00 N ATOM 494 CA SER A 36 -4.366 0.064 4.532 1.00 0.00 C ATOM 495 C SER A 36 -4.815 -1.365 4.244 1.00 0.00 C ATOM 496 O SER A 36 -5.653 -1.601 3.373 1.00 0.00 O ATOM 497 CB SER A 36 -5.450 0.803 5.318 1.00 0.00 C ATOM 498 OG SER A 36 -5.356 0.523 6.704 1.00 0.00 O ATOM 0 H SER A 36 -4.888 1.098 2.784 1.00 0.00 H new ATOM 0 HA SER A 36 -3.456 0.026 5.130 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.355 1.876 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.434 0.510 4.951 1.00 0.00 H new ATOM 0 HG SER A 36 -6.059 1.009 7.184 1.00 0.00 H new ATOM 504 N SER A 37 -4.252 -2.316 4.982 1.00 0.00 N ATOM 505 CA SER A 37 -4.590 -3.723 4.803 1.00 0.00 C ATOM 506 C SER A 37 -5.619 -4.170 5.838 1.00 0.00 C ATOM 507 O SER A 37 -5.671 -3.639 6.948 1.00 0.00 O ATOM 508 CB SER A 37 -3.334 -4.590 4.910 1.00 0.00 C ATOM 509 OG SER A 37 -3.669 -5.956 5.077 1.00 0.00 O ATOM 0 H SER A 37 -3.560 -2.138 5.710 1.00 0.00 H new ATOM 0 HA SER A 37 -5.022 -3.843 3.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.727 -4.468 4.013 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.728 -4.255 5.752 1.00 0.00 H new ATOM 0 HG SER A 37 -2.862 -6.466 5.300 1.00 0.00 H new ATOM 515 N VAL A 38 -6.436 -5.150 5.466 1.00 0.00 N ATOM 516 CA VAL A 38 -7.463 -5.670 6.361 1.00 0.00 C ATOM 517 C VAL A 38 -7.702 -7.156 6.119 1.00 0.00 C ATOM 518 O VAL A 38 -8.145 -7.556 5.043 1.00 0.00 O ATOM 519 CB VAL A 38 -8.793 -4.912 6.189 1.00 0.00 C ATOM 520 CG1 VAL A 38 -9.787 -5.328 7.263 1.00 0.00 C ATOM 521 CG2 VAL A 38 -8.559 -3.410 6.220 1.00 0.00 C ATOM 0 H VAL A 38 -6.407 -5.600 4.551 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.100 -5.525 7.378 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.215 -5.170 5.218 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.721 -4.782 7.126 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.978 -6.398 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.376 -5.102 8.247 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.510 -2.891 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.114 -3.131 7.175 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.885 -3.130 5.410 1.00 0.00 H new ATOM 531 N GLU A 39 -7.406 -7.969 7.128 1.00 0.00 N ATOM 532 CA GLU A 39 -7.589 -9.412 7.024 1.00 0.00 C ATOM 533 C GLU A 39 -8.867 -9.851 7.732 1.00 0.00 C ATOM 534 O GLU A 39 -9.097 -9.504 8.890 1.00 0.00 O ATOM 535 CB GLU A 39 -6.385 -10.145 7.620 1.00 0.00 C ATOM 536 CG GLU A 39 -6.221 -11.565 7.106 1.00 0.00 C ATOM 537 CD GLU A 39 -5.446 -12.448 8.065 1.00 0.00 C ATOM 538 OE1 GLU A 39 -6.047 -12.923 9.052 1.00 0.00 O ATOM 539 OE2 GLU A 39 -4.239 -12.663 7.829 1.00 0.00 O ATOM 0 H GLU A 39 -7.039 -7.654 8.026 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.674 -9.667 5.968 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.480 -9.580 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.486 -10.170 8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.205 -12.000 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.708 -11.542 6.144 1.00 0.00 H new ATOM 546 N GLU A 40 -9.695 -10.616 7.027 1.00 0.00 N ATOM 547 CA GLU A 40 -10.950 -11.101 7.587 1.00 0.00 C ATOM 548 C GLU A 40 -11.293 -12.484 7.039 1.00 0.00 C ATOM 549 O GLU A 40 -11.485 -12.656 5.836 1.00 0.00 O ATOM 550 CB GLU A 40 -12.085 -10.122 7.278 1.00 0.00 C ATOM 551 CG GLU A 40 -12.205 -9.778 5.803 1.00 0.00 C ATOM 552 CD GLU A 40 -10.958 -9.111 5.256 1.00 0.00 C ATOM 553 OE1 GLU A 40 -10.293 -8.380 6.020 1.00 0.00 O ATOM 554 OE2 GLU A 40 -10.648 -9.319 4.064 1.00 0.00 O ATOM 0 H GLU A 40 -9.519 -10.913 6.067 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.830 -11.177 8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.027 -10.550 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.927 -9.205 7.845 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.404 -10.688 5.237 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.060 -9.118 5.656 1.00 0.00 H new ATOM 561 N ASP A 41 -11.365 -13.465 7.931 1.00 0.00 N ATOM 562 CA ASP A 41 -11.685 -14.833 7.538 1.00 0.00 C ATOM 563 C ASP A 41 -10.537 -15.454 6.748 1.00 0.00 C ATOM 564 O ASP A 41 -10.756 -16.251 5.838 1.00 0.00 O ATOM 565 CB ASP A 41 -12.967 -14.861 6.705 1.00 0.00 C ATOM 566 CG ASP A 41 -14.067 -14.008 7.307 1.00 0.00 C ATOM 567 OD1 ASP A 41 -14.715 -14.469 8.269 1.00 0.00 O ATOM 568 OD2 ASP A 41 -14.280 -12.880 6.814 1.00 0.00 O ATOM 0 H ASP A 41 -11.206 -13.339 8.931 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.837 -15.419 8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.749 -14.509 5.696 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.316 -15.890 6.616 1.00 0.00 H new ATOM 573 N GLY A 42 -9.311 -15.081 7.103 1.00 0.00 N ATOM 574 CA GLY A 42 -8.147 -15.609 6.417 1.00 0.00 C ATOM 575 C GLY A 42 -7.818 -14.837 5.154 1.00 0.00 C ATOM 576 O GLY A 42 -6.680 -14.859 4.685 1.00 0.00 O ATOM 0 H GLY A 42 -9.104 -14.422 7.854 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.290 -15.582 7.089 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.321 -16.655 6.165 1.00 0.00 H new ATOM 580 N ILE A 43 -8.817 -14.156 4.602 1.00 0.00 N ATOM 581 CA ILE A 43 -8.628 -13.375 3.386 1.00 0.00 C ATOM 582 C ILE A 43 -8.035 -12.006 3.699 1.00 0.00 C ATOM 583 O ILE A 43 -8.547 -11.276 4.548 1.00 0.00 O ATOM 584 CB ILE A 43 -9.954 -13.187 2.626 1.00 0.00 C ATOM 585 CG1 ILE A 43 -10.550 -14.546 2.252 1.00 0.00 C ATOM 586 CG2 ILE A 43 -9.736 -12.338 1.383 1.00 0.00 C ATOM 587 CD1 ILE A 43 -12.037 -14.500 1.982 1.00 0.00 C ATOM 0 H ILE A 43 -9.765 -14.129 4.978 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.935 -13.933 2.757 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.659 -12.669 3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.040 -14.926 1.367 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.357 -15.253 3.059 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.682 -12.214 0.856 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.351 -11.360 1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.018 -12.830 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -12.391 -15.498 1.723 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -12.558 -14.150 2.873 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -12.236 -13.819 1.155 1.00 0.00 H new ATOM 599 N ARG A 44 -6.954 -11.662 3.006 1.00 0.00 N ATOM 600 CA ARG A 44 -6.292 -10.380 3.209 1.00 0.00 C ATOM 601 C ARG A 44 -6.576 -9.431 2.048 1.00 0.00 C ATOM 602 O ARG A 44 -6.303 -9.751 0.891 1.00 0.00 O ATOM 603 CB ARG A 44 -4.783 -10.579 3.361 1.00 0.00 C ATOM 604 CG ARG A 44 -4.073 -9.394 3.995 1.00 0.00 C ATOM 605 CD ARG A 44 -2.640 -9.272 3.499 1.00 0.00 C ATOM 606 NE ARG A 44 -1.764 -8.668 4.499 1.00 0.00 N ATOM 607 CZ ARG A 44 -1.497 -9.224 5.675 1.00 0.00 C ATOM 608 NH1 ARG A 44 -2.035 -10.393 5.997 1.00 0.00 N ATOM 609 NH2 ARG A 44 -0.690 -8.612 6.532 1.00 0.00 N ATOM 0 H ARG A 44 -6.518 -12.254 2.299 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.687 -9.937 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.601 -11.467 3.967 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.349 -10.769 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.617 -8.478 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.076 -9.505 5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.262 -10.260 3.236 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.621 -8.671 2.590 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.333 -7.769 4.282 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.655 -10.867 5.341 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.828 -10.818 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.274 -7.713 6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.486 -9.040 7.435 1.00 0.00 H new ATOM 623 N ARG A 45 -7.126 -8.264 2.366 1.00 0.00 N ATOM 624 CA ARG A 45 -7.449 -7.270 1.349 1.00 0.00 C ATOM 625 C ARG A 45 -6.814 -5.923 1.684 1.00 0.00 C ATOM 626 O ARG A 45 -6.274 -5.734 2.775 1.00 0.00 O ATOM 627 CB ARG A 45 -8.966 -7.113 1.222 1.00 0.00 C ATOM 628 CG ARG A 45 -9.658 -8.336 0.643 1.00 0.00 C ATOM 629 CD ARG A 45 -9.438 -8.442 -0.858 1.00 0.00 C ATOM 630 NE ARG A 45 -9.610 -9.810 -1.341 1.00 0.00 N ATOM 631 CZ ARG A 45 -9.472 -10.162 -2.614 1.00 0.00 C ATOM 632 NH1 ARG A 45 -9.161 -9.253 -3.527 1.00 0.00 N ATOM 633 NH2 ARG A 45 -9.644 -11.427 -2.976 1.00 0.00 N ATOM 0 H ARG A 45 -7.357 -7.983 3.319 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.045 -7.616 0.398 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.385 -6.901 2.206 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.182 -6.251 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.281 -9.234 1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.726 -8.284 0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.138 -7.785 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.434 -8.095 -1.103 1.00 0.00 H new ATOM 0 HE ARG A 45 -9.849 -10.534 -0.664 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.027 -8.280 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -9.056 -9.527 -4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.882 -12.130 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.538 -11.697 -3.954 1.00 0.00 H new ATOM 647 N LEU A 46 -6.882 -4.992 0.740 1.00 0.00 N ATOM 648 CA LEU A 46 -6.314 -3.662 0.934 1.00 0.00 C ATOM 649 C LEU A 46 -7.237 -2.587 0.370 1.00 0.00 C ATOM 650 O LEU A 46 -8.056 -2.857 -0.510 1.00 0.00 O ATOM 651 CB LEU A 46 -4.940 -3.572 0.268 1.00 0.00 C ATOM 652 CG LEU A 46 -3.774 -4.181 1.048 1.00 0.00 C ATOM 653 CD1 LEU A 46 -3.563 -5.632 0.645 1.00 0.00 C ATOM 654 CD2 LEU A 46 -2.504 -3.373 0.827 1.00 0.00 C ATOM 0 H LEU A 46 -7.325 -5.133 -0.168 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.204 -3.493 2.005 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.997 -4.063 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.717 -2.521 0.082 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.018 -4.152 2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.729 -6.049 1.210 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.467 -6.203 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.341 -5.685 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.685 -3.821 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.255 -3.369 -0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.660 -2.349 1.167 1.00 0.00 H new ATOM 666 N TYR A 47 -7.098 -1.369 0.879 1.00 0.00 N ATOM 667 CA TYR A 47 -7.920 -0.253 0.426 1.00 0.00 C ATOM 668 C TYR A 47 -7.163 1.066 0.548 1.00 0.00 C ATOM 669 O TYR A 47 -6.174 1.163 1.276 1.00 0.00 O ATOM 670 CB TYR A 47 -9.217 -0.186 1.234 1.00 0.00 C ATOM 671 CG TYR A 47 -9.901 -1.525 1.393 1.00 0.00 C ATOM 672 CD1 TYR A 47 -10.683 -2.053 0.372 1.00 0.00 C ATOM 673 CD2 TYR A 47 -9.766 -2.262 2.563 1.00 0.00 C ATOM 674 CE1 TYR A 47 -11.310 -3.275 0.513 1.00 0.00 C ATOM 675 CE2 TYR A 47 -10.389 -3.486 2.712 1.00 0.00 C ATOM 676 CZ TYR A 47 -11.160 -3.988 1.684 1.00 0.00 C ATOM 677 OH TYR A 47 -11.783 -5.207 1.828 1.00 0.00 O ATOM 0 H TYR A 47 -6.424 -1.129 1.606 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.162 -0.416 -0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.999 0.221 2.221 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.903 0.507 0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.802 -1.498 -0.547 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.164 -1.871 3.370 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -11.915 -3.671 -0.290 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.273 -4.047 3.628 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.575 -5.579 2.711 1.00 0.00 H new ATOM 687 N VAL A 48 -7.635 2.081 -0.169 1.00 0.00 N ATOM 688 CA VAL A 48 -7.005 3.395 -0.141 1.00 0.00 C ATOM 689 C VAL A 48 -7.560 4.247 0.994 1.00 0.00 C ATOM 690 O VAL A 48 -8.650 4.808 0.887 1.00 0.00 O ATOM 691 CB VAL A 48 -7.205 4.142 -1.474 1.00 0.00 C ATOM 692 CG1 VAL A 48 -6.554 5.516 -1.419 1.00 0.00 C ATOM 693 CG2 VAL A 48 -6.648 3.326 -2.630 1.00 0.00 C ATOM 0 H VAL A 48 -8.452 2.018 -0.777 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.939 3.231 0.019 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.274 4.279 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.705 6.029 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.004 6.100 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.486 5.405 -1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.798 3.868 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.582 3.157 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.164 2.367 -2.681 1.00 0.00 H new ATOM 703 N ASN A 49 -6.803 4.339 2.083 1.00 0.00 N ATOM 704 CA ASN A 49 -7.220 5.123 3.240 1.00 0.00 C ATOM 705 C ASN A 49 -7.490 6.572 2.847 1.00 0.00 C ATOM 706 O ASN A 49 -8.559 7.113 3.126 1.00 0.00 O ATOM 707 CB ASN A 49 -6.149 5.069 4.331 1.00 0.00 C ATOM 708 CG ASN A 49 -4.900 5.842 3.954 1.00 0.00 C ATOM 709 OD1 ASN A 49 -4.364 5.680 2.858 1.00 0.00 O ATOM 710 ND2 ASN A 49 -4.432 6.689 4.864 1.00 0.00 N ATOM 0 H ASN A 49 -5.898 3.880 2.188 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.144 4.692 3.626 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.557 5.473 5.257 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -5.885 4.030 4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.595 7.238 4.667 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.910 6.791 5.760 1.00 0.00 H new ATOM 717 N SER A 50 -6.512 7.195 2.197 1.00 0.00 N ATOM 718 CA SER A 50 -6.641 8.582 1.768 1.00 0.00 C ATOM 719 C SER A 50 -5.964 8.799 0.418 1.00 0.00 C ATOM 720 O SER A 50 -5.352 7.886 -0.137 1.00 0.00 O ATOM 721 CB SER A 50 -6.033 9.520 2.812 1.00 0.00 C ATOM 722 OG SER A 50 -4.654 9.252 2.998 1.00 0.00 O ATOM 0 H SER A 50 -5.621 6.760 1.956 1.00 0.00 H new ATOM 0 HA SER A 50 -7.703 8.806 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.166 10.555 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.560 9.405 3.759 1.00 0.00 H new ATOM 0 HG SER A 50 -4.289 9.866 3.669 1.00 0.00 H new ATOM 728 N VAL A 51 -6.078 10.015 -0.106 1.00 0.00 N ATOM 729 CA VAL A 51 -5.477 10.354 -1.390 1.00 0.00 C ATOM 730 C VAL A 51 -5.047 11.817 -1.427 1.00 0.00 C ATOM 731 O VAL A 51 -5.732 12.690 -0.894 1.00 0.00 O ATOM 732 CB VAL A 51 -6.450 10.087 -2.554 1.00 0.00 C ATOM 733 CG1 VAL A 51 -5.809 10.460 -3.882 1.00 0.00 C ATOM 734 CG2 VAL A 51 -6.890 8.631 -2.555 1.00 0.00 C ATOM 0 H VAL A 51 -6.581 10.782 0.339 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.600 9.717 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.334 10.710 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.511 10.265 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.548 11.518 -3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.908 9.865 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.577 8.459 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.018 7.987 -2.668 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.391 8.402 -1.615 1.00 0.00 H new ATOM 744 N LYS A 52 -3.909 12.078 -2.061 1.00 0.00 N ATOM 745 CA LYS A 52 -3.387 13.435 -2.170 1.00 0.00 C ATOM 746 C LYS A 52 -4.400 14.354 -2.845 1.00 0.00 C ATOM 747 O LYS A 52 -5.187 13.916 -3.684 1.00 0.00 O ATOM 748 CB LYS A 52 -2.076 13.437 -2.958 1.00 0.00 C ATOM 749 CG LYS A 52 -1.121 14.544 -2.547 1.00 0.00 C ATOM 750 CD LYS A 52 -0.131 14.867 -3.654 1.00 0.00 C ATOM 751 CE LYS A 52 1.193 15.361 -3.092 1.00 0.00 C ATOM 752 NZ LYS A 52 1.166 16.825 -2.816 1.00 0.00 N ATOM 0 H LYS A 52 -3.330 11.367 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.199 13.808 -1.163 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.581 12.475 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.300 13.538 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.688 15.439 -2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -0.580 14.244 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.040 13.978 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.554 15.626 -4.312 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.421 14.822 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.993 15.139 -3.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.086 17.123 -2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.973 17.341 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.419 17.034 -2.123 1.00 0.00 H new ATOM 766 N GLU A 53 -4.373 15.631 -2.475 1.00 0.00 N ATOM 767 CA GLU A 53 -5.289 16.611 -3.046 1.00 0.00 C ATOM 768 C GLU A 53 -4.814 17.061 -4.425 1.00 0.00 C ATOM 769 O GLU A 53 -3.724 17.615 -4.569 1.00 0.00 O ATOM 770 CB GLU A 53 -5.419 17.822 -2.119 1.00 0.00 C ATOM 771 CG GLU A 53 -4.094 18.293 -1.545 1.00 0.00 C ATOM 772 CD GLU A 53 -3.740 17.597 -0.245 1.00 0.00 C ATOM 773 OE1 GLU A 53 -4.632 17.463 0.619 1.00 0.00 O ATOM 774 OE2 GLU A 53 -2.571 17.185 -0.092 1.00 0.00 O ATOM 0 H GLU A 53 -3.727 16.010 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.265 16.138 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.879 18.643 -2.669 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.092 17.571 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.303 18.116 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.138 19.369 -1.376 1.00 0.00 H new ATOM 781 N THR A 54 -5.640 16.817 -5.437 1.00 0.00 N ATOM 782 CA THR A 54 -5.306 17.194 -6.805 1.00 0.00 C ATOM 783 C THR A 54 -3.826 16.966 -7.092 1.00 0.00 C ATOM 784 O THR A 54 -3.173 17.789 -7.731 1.00 0.00 O ATOM 785 CB THR A 54 -5.648 18.671 -7.080 1.00 0.00 C ATOM 786 OG1 THR A 54 -5.371 18.991 -8.447 1.00 0.00 O ATOM 787 CG2 THR A 54 -4.851 19.590 -6.166 1.00 0.00 C ATOM 0 H THR A 54 -6.546 16.360 -5.335 1.00 0.00 H new ATOM 0 HA THR A 54 -5.903 16.562 -7.462 1.00 0.00 H new ATOM 0 HB THR A 54 -6.709 18.819 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.487 18.645 -8.691 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.109 20.627 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.087 19.363 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.785 19.439 -6.338 1.00 0.00 H new ATOM 795 N GLY A 55 -3.302 15.840 -6.614 1.00 0.00 N ATOM 796 CA GLY A 55 -1.903 15.523 -6.831 1.00 0.00 C ATOM 797 C GLY A 55 -1.674 14.756 -8.118 1.00 0.00 C ATOM 798 O GLY A 55 -2.175 15.140 -9.176 1.00 0.00 O ATOM 0 H GLY A 55 -3.822 15.143 -6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.324 16.446 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.532 14.936 -5.991 1.00 0.00 H new ATOM 802 N LEU A 56 -0.916 13.669 -8.030 1.00 0.00 N ATOM 803 CA LEU A 56 -0.620 12.846 -9.197 1.00 0.00 C ATOM 804 C LEU A 56 -1.571 11.656 -9.279 1.00 0.00 C ATOM 805 O LEU A 56 -1.949 11.225 -10.368 1.00 0.00 O ATOM 806 CB LEU A 56 0.827 12.353 -9.145 1.00 0.00 C ATOM 807 CG LEU A 56 1.876 13.394 -8.752 1.00 0.00 C ATOM 808 CD1 LEU A 56 3.222 12.729 -8.505 1.00 0.00 C ATOM 809 CD2 LEU A 56 1.997 14.463 -9.828 1.00 0.00 C ATOM 0 H LEU A 56 -0.495 13.337 -7.162 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.757 13.460 -10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.883 11.525 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.089 11.954 -10.125 1.00 0.00 H new ATOM 0 HG LEU A 56 1.555 13.873 -7.827 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.956 13.485 -8.226 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.126 12.002 -7.698 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.550 12.223 -9.413 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.748 15.195 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.294 14.000 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.036 14.961 -9.956 1.00 0.00 H new ATOM 821 N ALA A 57 -1.956 11.131 -8.120 1.00 0.00 N ATOM 822 CA ALA A 57 -2.866 9.994 -8.061 1.00 0.00 C ATOM 823 C ALA A 57 -4.309 10.434 -8.284 1.00 0.00 C ATOM 824 O ALA A 57 -5.015 9.876 -9.124 1.00 0.00 O ATOM 825 CB ALA A 57 -2.731 9.279 -6.725 1.00 0.00 C ATOM 0 H ALA A 57 -1.652 11.475 -7.209 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.597 9.303 -8.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.416 8.432 -6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.708 8.922 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.972 9.970 -5.917 1.00 0.00 H new ATOM 831 N SER A 58 -4.741 11.437 -7.526 1.00 0.00 N ATOM 832 CA SER A 58 -6.102 11.949 -7.639 1.00 0.00 C ATOM 833 C SER A 58 -6.377 12.455 -9.051 1.00 0.00 C ATOM 834 O SER A 58 -7.425 12.173 -9.632 1.00 0.00 O ATOM 835 CB SER A 58 -6.331 13.074 -6.628 1.00 0.00 C ATOM 836 OG SER A 58 -7.708 13.390 -6.519 1.00 0.00 O ATOM 0 H SER A 58 -4.169 11.911 -6.827 1.00 0.00 H new ATOM 0 HA SER A 58 -6.790 11.132 -7.425 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.945 12.775 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.774 13.960 -6.933 1.00 0.00 H new ATOM 0 HG SER A 58 -7.828 14.111 -5.866 1.00 0.00 H new ATOM 842 N LYS A 59 -5.427 13.206 -9.599 1.00 0.00 N ATOM 843 CA LYS A 59 -5.564 13.752 -10.945 1.00 0.00 C ATOM 844 C LYS A 59 -5.838 12.644 -11.956 1.00 0.00 C ATOM 845 O LYS A 59 -6.414 12.886 -13.017 1.00 0.00 O ATOM 846 CB LYS A 59 -4.298 14.515 -11.339 1.00 0.00 C ATOM 847 CG LYS A 59 -3.122 13.612 -11.668 1.00 0.00 C ATOM 848 CD LYS A 59 -2.108 14.318 -12.554 1.00 0.00 C ATOM 849 CE LYS A 59 -1.336 13.330 -13.414 1.00 0.00 C ATOM 850 NZ LYS A 59 -0.163 12.764 -12.692 1.00 0.00 N ATOM 0 H LYS A 59 -4.554 13.450 -9.132 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.410 14.439 -10.947 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.516 15.143 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.017 15.181 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.639 13.291 -10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.481 12.713 -12.169 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.620 15.036 -13.194 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.412 14.883 -11.934 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.999 12.521 -13.721 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.998 13.827 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.375 12.148 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.448 13.538 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.492 12.210 -11.875 1.00 0.00 H new ATOM 864 N LYS A 60 -5.423 11.427 -11.621 1.00 0.00 N ATOM 865 CA LYS A 60 -5.626 10.280 -12.498 1.00 0.00 C ATOM 866 C LYS A 60 -7.022 9.694 -12.314 1.00 0.00 C ATOM 867 O LYS A 60 -7.828 9.680 -13.243 1.00 0.00 O ATOM 868 CB LYS A 60 -4.570 9.207 -12.222 1.00 0.00 C ATOM 869 CG LYS A 60 -3.148 9.671 -12.487 1.00 0.00 C ATOM 870 CD LYS A 60 -2.777 9.519 -13.953 1.00 0.00 C ATOM 871 CE LYS A 60 -1.268 9.509 -14.147 1.00 0.00 C ATOM 872 NZ LYS A 60 -0.895 9.425 -15.586 1.00 0.00 N ATOM 0 H LYS A 60 -4.943 11.210 -10.747 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.528 10.621 -13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.651 8.888 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.780 8.335 -12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.043 10.715 -12.190 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.456 9.094 -11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.201 8.594 -14.343 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.213 10.337 -14.527 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.840 10.413 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.838 8.663 -13.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.141 9.421 -15.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -1.282 8.550 -15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -1.283 10.245 -16.094 1.00 0.00 H new ATOM 886 N GLY A 61 -7.302 9.211 -11.107 1.00 0.00 N ATOM 887 CA GLY A 61 -8.601 8.632 -10.822 1.00 0.00 C ATOM 888 C GLY A 61 -8.718 8.145 -9.391 1.00 0.00 C ATOM 889 O GLY A 61 -9.791 8.212 -8.790 1.00 0.00 O ATOM 0 H GLY A 61 -6.651 9.211 -10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -9.376 9.374 -11.014 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.781 7.799 -11.502 1.00 0.00 H new ATOM 893 N LEU A 62 -7.613 7.651 -8.844 1.00 0.00 N ATOM 894 CA LEU A 62 -7.596 7.148 -7.475 1.00 0.00 C ATOM 895 C LEU A 62 -8.449 8.024 -6.563 1.00 0.00 C ATOM 896 O LEU A 62 -8.632 9.214 -6.819 1.00 0.00 O ATOM 897 CB LEU A 62 -6.161 7.091 -6.949 1.00 0.00 C ATOM 898 CG LEU A 62 -5.393 5.800 -7.233 1.00 0.00 C ATOM 899 CD1 LEU A 62 -3.893 6.044 -7.164 1.00 0.00 C ATOM 900 CD2 LEU A 62 -5.803 4.709 -6.255 1.00 0.00 C ATOM 0 H LEU A 62 -6.717 7.588 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.015 6.142 -7.479 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.604 7.923 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -6.184 7.247 -5.870 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.640 5.468 -8.241 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.363 5.114 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.612 6.792 -7.905 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.628 6.401 -6.169 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.246 3.798 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.586 5.033 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.871 4.514 -6.354 1.00 0.00 H new ATOM 912 N LYS A 63 -8.969 7.427 -5.495 1.00 0.00 N ATOM 913 CA LYS A 63 -9.800 8.152 -4.541 1.00 0.00 C ATOM 914 C LYS A 63 -9.980 7.350 -3.257 1.00 0.00 C ATOM 915 O LYS A 63 -9.968 6.120 -3.275 1.00 0.00 O ATOM 916 CB LYS A 63 -11.166 8.463 -5.157 1.00 0.00 C ATOM 917 CG LYS A 63 -11.871 9.642 -4.510 1.00 0.00 C ATOM 918 CD LYS A 63 -13.379 9.549 -4.673 1.00 0.00 C ATOM 919 CE LYS A 63 -14.092 10.647 -3.900 1.00 0.00 C ATOM 920 NZ LYS A 63 -15.548 10.368 -3.755 1.00 0.00 N ATOM 0 H LYS A 63 -8.829 6.442 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.297 9.088 -4.296 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.038 8.666 -6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.801 7.581 -5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.621 9.680 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.513 10.570 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.637 9.620 -5.730 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.724 8.575 -4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.641 10.747 -2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.954 11.600 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.998 11.140 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -15.983 10.297 -4.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.681 9.472 -3.244 1.00 0.00 H new ATOM 934 N ALA A 64 -10.149 8.055 -2.143 1.00 0.00 N ATOM 935 CA ALA A 64 -10.336 7.409 -0.850 1.00 0.00 C ATOM 936 C ALA A 64 -11.568 6.510 -0.859 1.00 0.00 C ATOM 937 O ALA A 64 -12.645 6.921 -1.287 1.00 0.00 O ATOM 938 CB ALA A 64 -10.449 8.453 0.251 1.00 0.00 C ATOM 0 H ALA A 64 -10.160 9.074 -2.110 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.464 6.785 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.588 7.956 1.211 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.538 9.051 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.302 9.102 0.051 1.00 0.00 H new ATOM 944 N GLY A 65 -11.401 5.280 -0.382 1.00 0.00 N ATOM 945 CA GLY A 65 -12.508 4.342 -0.345 1.00 0.00 C ATOM 946 C GLY A 65 -12.510 3.400 -1.533 1.00 0.00 C ATOM 947 O GLY A 65 -13.567 3.077 -2.075 1.00 0.00 O ATOM 0 H GLY A 65 -10.519 4.917 -0.021 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.457 3.761 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -13.447 4.894 -0.322 1.00 0.00 H new ATOM 951 N ASP A 66 -11.324 2.961 -1.940 1.00 0.00 N ATOM 952 CA ASP A 66 -11.193 2.051 -3.072 1.00 0.00 C ATOM 953 C ASP A 66 -10.448 0.783 -2.666 1.00 0.00 C ATOM 954 O ASP A 66 -9.886 0.705 -1.574 1.00 0.00 O ATOM 955 CB ASP A 66 -10.462 2.740 -4.225 1.00 0.00 C ATOM 956 CG ASP A 66 -11.242 3.913 -4.787 1.00 0.00 C ATOM 957 OD1 ASP A 66 -12.025 4.523 -4.028 1.00 0.00 O ATOM 958 OD2 ASP A 66 -11.069 4.221 -5.984 1.00 0.00 O ATOM 0 H ASP A 66 -10.440 3.221 -1.503 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.194 1.773 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.489 3.087 -3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.278 2.016 -5.019 1.00 0.00 H new ATOM 963 N GLU A 67 -10.450 -0.207 -3.553 1.00 0.00 N ATOM 964 CA GLU A 67 -9.775 -1.472 -3.286 1.00 0.00 C ATOM 965 C GLU A 67 -8.766 -1.793 -4.384 1.00 0.00 C ATOM 966 O GLU A 67 -9.115 -1.854 -5.564 1.00 0.00 O ATOM 967 CB GLU A 67 -10.797 -2.605 -3.169 1.00 0.00 C ATOM 968 CG GLU A 67 -11.350 -3.066 -4.507 1.00 0.00 C ATOM 969 CD GLU A 67 -12.530 -4.007 -4.358 1.00 0.00 C ATOM 970 OE1 GLU A 67 -13.595 -3.554 -3.891 1.00 0.00 O ATOM 971 OE2 GLU A 67 -12.386 -5.197 -4.709 1.00 0.00 O ATOM 0 H GLU A 67 -10.911 -0.158 -4.462 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.239 -1.377 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.331 -3.453 -2.666 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.623 -2.275 -2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.655 -2.196 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.561 -3.565 -5.069 1.00 0.00 H new ATOM 978 N ILE A 68 -7.514 -1.998 -3.988 1.00 0.00 N ATOM 979 CA ILE A 68 -6.455 -2.313 -4.938 1.00 0.00 C ATOM 980 C ILE A 68 -6.466 -3.794 -5.303 1.00 0.00 C ATOM 981 O ILE A 68 -6.377 -4.660 -4.432 1.00 0.00 O ATOM 982 CB ILE A 68 -5.068 -1.945 -4.377 1.00 0.00 C ATOM 983 CG1 ILE A 68 -5.050 -0.485 -3.919 1.00 0.00 C ATOM 984 CG2 ILE A 68 -3.991 -2.191 -5.424 1.00 0.00 C ATOM 985 CD1 ILE A 68 -5.616 0.476 -4.941 1.00 0.00 C ATOM 0 H ILE A 68 -7.209 -1.951 -3.016 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.646 -1.719 -5.832 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.861 -2.579 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.620 -0.396 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.024 -0.197 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.017 -1.926 -5.013 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.992 -3.244 -5.706 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.192 -1.579 -6.303 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.571 1.492 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.032 0.416 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.653 0.214 -5.152 1.00 0.00 H new ATOM 997 N LEU A 69 -6.575 -4.078 -6.596 1.00 0.00 N ATOM 998 CA LEU A 69 -6.596 -5.454 -7.078 1.00 0.00 C ATOM 999 C LEU A 69 -5.182 -6.016 -7.185 1.00 0.00 C ATOM 1000 O LEU A 69 -4.927 -7.157 -6.802 1.00 0.00 O ATOM 1001 CB LEU A 69 -7.291 -5.529 -8.438 1.00 0.00 C ATOM 1002 CG LEU A 69 -8.738 -5.034 -8.481 1.00 0.00 C ATOM 1003 CD1 LEU A 69 -9.137 -4.675 -9.904 1.00 0.00 C ATOM 1004 CD2 LEU A 69 -9.678 -6.086 -7.910 1.00 0.00 C ATOM 0 H LEU A 69 -6.650 -3.373 -7.330 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.152 -6.055 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.708 -4.949 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.272 -6.565 -8.777 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.814 -4.136 -7.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.169 -4.325 -9.915 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.483 -3.887 -10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.045 -5.555 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.703 -5.717 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.599 -7.001 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.406 -6.294 -6.875 1.00 0.00 H new ATOM 1016 N GLU A 70 -4.267 -5.205 -7.707 1.00 0.00 N ATOM 1017 CA GLU A 70 -2.878 -5.621 -7.863 1.00 0.00 C ATOM 1018 C GLU A 70 -1.941 -4.418 -7.812 1.00 0.00 C ATOM 1019 O GLU A 70 -2.382 -3.270 -7.884 1.00 0.00 O ATOM 1020 CB GLU A 70 -2.693 -6.370 -9.184 1.00 0.00 C ATOM 1021 CG GLU A 70 -3.050 -7.845 -9.102 1.00 0.00 C ATOM 1022 CD GLU A 70 -2.670 -8.608 -10.356 1.00 0.00 C ATOM 1023 OE1 GLU A 70 -1.692 -8.205 -11.022 1.00 0.00 O ATOM 1024 OE2 GLU A 70 -3.349 -9.607 -10.673 1.00 0.00 O ATOM 0 H GLU A 70 -4.462 -4.257 -8.029 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.630 -6.288 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.309 -5.898 -9.949 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.656 -6.273 -9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.546 -8.290 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -4.122 -7.947 -8.930 1.00 0.00 H new ATOM 1031 N ILE A 71 -0.646 -4.689 -7.688 1.00 0.00 N ATOM 1032 CA ILE A 71 0.354 -3.630 -7.628 1.00 0.00 C ATOM 1033 C ILE A 71 1.620 -4.026 -8.380 1.00 0.00 C ATOM 1034 O ILE A 71 2.410 -4.837 -7.899 1.00 0.00 O ATOM 1035 CB ILE A 71 0.720 -3.283 -6.173 1.00 0.00 C ATOM 1036 CG1 ILE A 71 -0.527 -2.854 -5.398 1.00 0.00 C ATOM 1037 CG2 ILE A 71 1.775 -2.188 -6.139 1.00 0.00 C ATOM 1038 CD1 ILE A 71 -0.355 -2.913 -3.897 1.00 0.00 C ATOM 0 H ILE A 71 -0.265 -5.633 -7.627 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.087 -2.753 -8.101 1.00 0.00 H new ATOM 0 HB ILE A 71 1.132 -4.172 -5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.791 -1.836 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.362 -3.494 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.023 -1.954 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.670 -2.529 -6.659 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.389 -1.295 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.278 -2.595 -3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.121 -3.935 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.458 -2.252 -3.598 1.00 0.00 H new ATOM 1050 N ASN A 72 1.807 -3.446 -9.561 1.00 0.00 N ATOM 1051 CA ASN A 72 2.979 -3.738 -10.379 1.00 0.00 C ATOM 1052 C ASN A 72 2.998 -5.204 -10.799 1.00 0.00 C ATOM 1053 O ASN A 72 4.054 -5.832 -10.851 1.00 0.00 O ATOM 1054 CB ASN A 72 4.259 -3.399 -9.612 1.00 0.00 C ATOM 1055 CG ASN A 72 4.696 -1.962 -9.823 1.00 0.00 C ATOM 1056 OD1 ASN A 72 5.250 -1.617 -10.867 1.00 0.00 O ATOM 1057 ND2 ASN A 72 4.447 -1.116 -8.830 1.00 0.00 N ATOM 0 H ASN A 72 1.162 -2.771 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 72 2.927 -3.122 -11.277 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.099 -3.575 -8.548 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.058 -4.069 -9.929 1.00 0.00 H new ATOM 0 HD21 ASN A 72 4.717 -0.136 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.985 -1.446 -7.982 1.00 0.00 H new ATOM 1064 N ASN A 73 1.820 -5.743 -11.099 1.00 0.00 N ATOM 1065 CA ASN A 73 1.701 -7.136 -11.514 1.00 0.00 C ATOM 1066 C ASN A 73 1.896 -8.076 -10.329 1.00 0.00 C ATOM 1067 O ASN A 73 2.464 -9.159 -10.469 1.00 0.00 O ATOM 1068 CB ASN A 73 2.726 -7.454 -12.605 1.00 0.00 C ATOM 1069 CG ASN A 73 2.376 -8.710 -13.380 1.00 0.00 C ATOM 1070 OD1 ASN A 73 1.344 -9.335 -13.136 1.00 0.00 O ATOM 1071 ND2 ASN A 73 3.236 -9.085 -14.319 1.00 0.00 N ATOM 0 H ASN A 73 0.935 -5.237 -11.062 1.00 0.00 H new ATOM 0 HA ASN A 73 0.697 -7.286 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.792 -6.612 -13.294 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.710 -7.573 -12.152 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.054 -9.922 -14.873 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.079 -8.536 -14.487 1.00 0.00 H new ATOM 1078 N ARG A 74 1.419 -7.655 -9.162 1.00 0.00 N ATOM 1079 CA ARG A 74 1.541 -8.459 -7.952 1.00 0.00 C ATOM 1080 C ARG A 74 0.200 -8.561 -7.230 1.00 0.00 C ATOM 1081 O ARG A 74 -0.637 -7.665 -7.325 1.00 0.00 O ATOM 1082 CB ARG A 74 2.591 -7.855 -7.017 1.00 0.00 C ATOM 1083 CG ARG A 74 4.017 -8.019 -7.516 1.00 0.00 C ATOM 1084 CD ARG A 74 4.473 -9.467 -7.435 1.00 0.00 C ATOM 1085 NE ARG A 74 4.129 -10.218 -8.640 1.00 0.00 N ATOM 1086 CZ ARG A 74 4.810 -10.134 -9.777 1.00 0.00 C ATOM 1087 NH1 ARG A 74 5.865 -9.337 -9.865 1.00 0.00 N ATOM 1088 NH2 ARG A 74 4.435 -10.849 -10.830 1.00 0.00 N ATOM 0 H ARG A 74 0.945 -6.762 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 74 1.856 -9.462 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.381 -6.794 -6.886 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.503 -8.321 -6.036 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.085 -7.672 -8.547 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.685 -7.393 -6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.552 -9.499 -7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.015 -9.943 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 74 3.322 -10.841 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.156 -8.786 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.386 -9.275 -10.740 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.623 -11.463 -10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.958 -10.784 -11.703 1.00 0.00 H new ATOM 1102 N ALA A 75 0.005 -9.661 -6.510 1.00 0.00 N ATOM 1103 CA ALA A 75 -1.233 -9.880 -5.771 1.00 0.00 C ATOM 1104 C ALA A 75 -1.229 -9.112 -4.454 1.00 0.00 C ATOM 1105 O ALA A 75 -0.387 -9.349 -3.588 1.00 0.00 O ATOM 1106 CB ALA A 75 -1.439 -11.366 -5.517 1.00 0.00 C ATOM 0 H ALA A 75 0.688 -10.414 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.060 -9.507 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -2.367 -11.516 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -1.495 -11.894 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.603 -11.755 -4.935 1.00 0.00 H new ATOM 1112 N ALA A 76 -2.176 -8.190 -4.309 1.00 0.00 N ATOM 1113 CA ALA A 76 -2.282 -7.388 -3.097 1.00 0.00 C ATOM 1114 C ALA A 76 -2.101 -8.249 -1.851 1.00 0.00 C ATOM 1115 O ALA A 76 -1.282 -7.940 -0.985 1.00 0.00 O ATOM 1116 CB ALA A 76 -3.623 -6.671 -3.055 1.00 0.00 C ATOM 0 H ALA A 76 -2.880 -7.981 -5.016 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.485 -6.645 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.689 -6.076 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.714 -6.018 -3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.429 -7.405 -3.068 1.00 0.00 H new ATOM 1122 N ASP A 77 -2.870 -9.328 -1.767 1.00 0.00 N ATOM 1123 CA ASP A 77 -2.794 -10.235 -0.627 1.00 0.00 C ATOM 1124 C ASP A 77 -1.382 -10.789 -0.467 1.00 0.00 C ATOM 1125 O ASP A 77 -0.888 -10.943 0.649 1.00 0.00 O ATOM 1126 CB ASP A 77 -3.791 -11.383 -0.794 1.00 0.00 C ATOM 1127 CG ASP A 77 -3.799 -12.320 0.398 1.00 0.00 C ATOM 1128 OD1 ASP A 77 -2.748 -12.446 1.061 1.00 0.00 O ATOM 1129 OD2 ASP A 77 -4.856 -12.927 0.668 1.00 0.00 O ATOM 0 H ASP A 77 -3.554 -9.597 -2.475 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.048 -9.672 0.271 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.791 -10.974 -0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.545 -11.946 -1.694 1.00 0.00 H new ATOM 1134 N ALA A 78 -0.739 -11.089 -1.590 1.00 0.00 N ATOM 1135 CA ALA A 78 0.616 -11.626 -1.575 1.00 0.00 C ATOM 1136 C ALA A 78 1.600 -10.617 -0.993 1.00 0.00 C ATOM 1137 O ALA A 78 2.567 -10.990 -0.327 1.00 0.00 O ATOM 1138 CB ALA A 78 1.040 -12.030 -2.979 1.00 0.00 C ATOM 0 H ALA A 78 -1.135 -10.969 -2.522 1.00 0.00 H new ATOM 0 HA ALA A 78 0.622 -12.510 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.054 -12.429 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.360 -12.792 -3.359 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.010 -11.158 -3.633 1.00 0.00 H new ATOM 1144 N LEU A 79 1.348 -9.338 -1.247 1.00 0.00 N ATOM 1145 CA LEU A 79 2.212 -8.273 -0.748 1.00 0.00 C ATOM 1146 C LEU A 79 2.029 -8.082 0.754 1.00 0.00 C ATOM 1147 O LEU A 79 0.949 -8.322 1.293 1.00 0.00 O ATOM 1148 CB LEU A 79 1.915 -6.963 -1.480 1.00 0.00 C ATOM 1149 CG LEU A 79 2.090 -6.989 -2.999 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.375 -5.809 -3.639 1.00 0.00 C ATOM 1151 CD2 LEU A 79 3.567 -6.983 -3.367 1.00 0.00 C ATOM 0 H LEU A 79 0.552 -9.013 -1.796 1.00 0.00 H new ATOM 0 HA LEU A 79 3.247 -8.560 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.889 -6.670 -1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.563 -6.187 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 79 1.645 -7.908 -3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.511 -5.844 -4.720 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.312 -5.857 -3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.790 -4.878 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.672 -7.002 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.037 -6.082 -2.973 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.052 -7.861 -2.940 1.00 0.00 H new ATOM 1163 N ASN A 80 3.091 -7.647 1.424 1.00 0.00 N ATOM 1164 CA ASN A 80 3.047 -7.422 2.864 1.00 0.00 C ATOM 1165 C ASN A 80 3.396 -5.975 3.199 1.00 0.00 C ATOM 1166 O ASN A 80 3.967 -5.257 2.379 1.00 0.00 O ATOM 1167 CB ASN A 80 4.012 -8.370 3.579 1.00 0.00 C ATOM 1168 CG ASN A 80 4.581 -7.766 4.848 1.00 0.00 C ATOM 1169 OD1 ASN A 80 3.846 -7.458 5.787 1.00 0.00 O ATOM 1170 ND2 ASN A 80 5.897 -7.593 4.883 1.00 0.00 N ATOM 0 H ASN A 80 3.993 -7.443 0.993 1.00 0.00 H new ATOM 0 HA ASN A 80 2.032 -7.621 3.207 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.493 -9.297 3.822 1.00 0.00 H new ATOM 0 HB3 ASN A 80 4.829 -8.629 2.905 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.337 -7.191 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.468 -7.862 4.082 1.00 0.00 H new ATOM 1177 N SER A 81 3.048 -5.554 4.411 1.00 0.00 N ATOM 1178 CA SER A 81 3.321 -4.192 4.854 1.00 0.00 C ATOM 1179 C SER A 81 4.713 -3.747 4.418 1.00 0.00 C ATOM 1180 O SER A 81 4.860 -2.825 3.616 1.00 0.00 O ATOM 1181 CB SER A 81 3.195 -4.093 6.376 1.00 0.00 C ATOM 1182 OG SER A 81 2.966 -2.755 6.783 1.00 0.00 O ATOM 0 H SER A 81 2.577 -6.136 5.103 1.00 0.00 H new ATOM 0 HA SER A 81 2.587 -3.532 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 81 2.376 -4.726 6.718 1.00 0.00 H new ATOM 0 HB3 SER A 81 4.105 -4.468 6.845 1.00 0.00 H new ATOM 0 HG SER A 81 2.887 -2.719 7.759 1.00 0.00 H new ATOM 1188 N SER A 82 5.734 -4.410 4.952 1.00 0.00 N ATOM 1189 CA SER A 82 7.116 -4.082 4.622 1.00 0.00 C ATOM 1190 C SER A 82 7.269 -3.817 3.127 1.00 0.00 C ATOM 1191 O SER A 82 7.804 -2.786 2.720 1.00 0.00 O ATOM 1192 CB SER A 82 8.048 -5.218 5.048 1.00 0.00 C ATOM 1193 OG SER A 82 9.383 -4.959 4.649 1.00 0.00 O ATOM 0 H SER A 82 5.630 -5.178 5.615 1.00 0.00 H new ATOM 0 HA SER A 82 7.388 -3.176 5.164 1.00 0.00 H new ATOM 0 HB2 SER A 82 8.006 -5.341 6.130 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.709 -6.156 4.607 1.00 0.00 H new ATOM 0 HG SER A 82 9.959 -5.699 4.934 1.00 0.00 H new ATOM 1199 N MET A 83 6.794 -4.755 2.314 1.00 0.00 N ATOM 1200 CA MET A 83 6.876 -4.623 0.865 1.00 0.00 C ATOM 1201 C MET A 83 6.288 -3.292 0.406 1.00 0.00 C ATOM 1202 O MET A 83 6.927 -2.541 -0.332 1.00 0.00 O ATOM 1203 CB MET A 83 6.144 -5.780 0.183 1.00 0.00 C ATOM 1204 CG MET A 83 6.591 -7.150 0.665 1.00 0.00 C ATOM 1205 SD MET A 83 7.944 -7.825 -0.317 1.00 0.00 S ATOM 1206 CE MET A 83 7.675 -9.583 -0.102 1.00 0.00 C ATOM 0 H MET A 83 6.348 -5.615 2.635 1.00 0.00 H new ATOM 0 HA MET A 83 7.928 -4.652 0.582 1.00 0.00 H new ATOM 0 HB2 MET A 83 5.073 -5.674 0.357 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.300 -5.714 -0.894 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.903 -7.080 1.707 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.745 -7.837 0.631 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.435 -10.137 -0.652 1.00 0.00 H new ATOM 0 HE2 MET A 83 7.738 -9.834 0.957 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.688 -9.849 -0.480 1.00 0.00 H new ATOM 1216 N LEU A 84 5.067 -3.008 0.845 1.00 0.00 N ATOM 1217 CA LEU A 84 4.392 -1.767 0.479 1.00 0.00 C ATOM 1218 C LEU A 84 5.314 -0.568 0.674 1.00 0.00 C ATOM 1219 O LEU A 84 5.633 0.145 -0.278 1.00 0.00 O ATOM 1220 CB LEU A 84 3.122 -1.590 1.313 1.00 0.00 C ATOM 1221 CG LEU A 84 1.855 -2.237 0.753 1.00 0.00 C ATOM 1222 CD1 LEU A 84 0.757 -2.259 1.805 1.00 0.00 C ATOM 1223 CD2 LEU A 84 1.387 -1.502 -0.494 1.00 0.00 C ATOM 0 H LEU A 84 4.524 -3.620 1.455 1.00 0.00 H new ATOM 0 HA LEU A 84 4.122 -1.826 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.305 -1.997 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.937 -0.523 1.435 1.00 0.00 H new ATOM 0 HG LEU A 84 2.087 -3.266 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.137 -2.723 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.093 -2.831 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.527 -1.239 2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.484 -1.976 -0.879 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.173 -0.463 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 84 2.168 -1.539 -1.253 1.00 0.00 H new ATOM 1235 N LYS A 85 5.741 -0.351 1.913 1.00 0.00 N ATOM 1236 CA LYS A 85 6.629 0.760 2.234 1.00 0.00 C ATOM 1237 C LYS A 85 7.665 0.963 1.133 1.00 0.00 C ATOM 1238 O LYS A 85 7.865 2.080 0.655 1.00 0.00 O ATOM 1239 CB LYS A 85 7.332 0.508 3.570 1.00 0.00 C ATOM 1240 CG LYS A 85 7.964 1.753 4.169 1.00 0.00 C ATOM 1241 CD LYS A 85 8.392 1.523 5.609 1.00 0.00 C ATOM 1242 CE LYS A 85 7.198 1.508 6.550 1.00 0.00 C ATOM 1243 NZ LYS A 85 6.639 2.872 6.759 1.00 0.00 N ATOM 0 H LYS A 85 5.486 -0.931 2.713 1.00 0.00 H new ATOM 0 HA LYS A 85 6.026 1.664 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.612 0.099 4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.104 -0.249 3.428 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.829 2.046 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.254 2.579 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 85 8.927 0.576 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.086 2.307 5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.424 0.857 6.144 1.00 0.00 H new ATOM 0 HE3 LYS A 85 7.497 1.087 7.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.954 2.850 7.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.409 3.531 6.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.163 3.189 5.890 1.00 0.00 H new ATOM 1257 N ASP A 86 8.320 -0.122 0.735 1.00 0.00 N ATOM 1258 CA ASP A 86 9.333 -0.063 -0.312 1.00 0.00 C ATOM 1259 C ASP A 86 8.718 0.368 -1.640 1.00 0.00 C ATOM 1260 O ASP A 86 9.196 1.303 -2.283 1.00 0.00 O ATOM 1261 CB ASP A 86 10.015 -1.423 -0.468 1.00 0.00 C ATOM 1262 CG ASP A 86 11.391 -1.311 -1.095 1.00 0.00 C ATOM 1263 OD1 ASP A 86 12.376 -1.157 -0.343 1.00 0.00 O ATOM 1264 OD2 ASP A 86 11.483 -1.380 -2.339 1.00 0.00 O ATOM 0 H ASP A 86 8.167 -1.053 1.122 1.00 0.00 H new ATOM 0 HA ASP A 86 10.079 0.677 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.102 -1.897 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.390 -2.071 -1.082 1.00 0.00 H new ATOM 1269 N PHE A 87 7.657 -0.322 -2.045 1.00 0.00 N ATOM 1270 CA PHE A 87 6.978 -0.012 -3.298 1.00 0.00 C ATOM 1271 C PHE A 87 6.672 1.480 -3.397 1.00 0.00 C ATOM 1272 O PHE A 87 7.031 2.135 -4.376 1.00 0.00 O ATOM 1273 CB PHE A 87 5.682 -0.818 -3.413 1.00 0.00 C ATOM 1274 CG PHE A 87 5.872 -2.172 -4.035 1.00 0.00 C ATOM 1275 CD1 PHE A 87 6.742 -3.092 -3.472 1.00 0.00 C ATOM 1276 CD2 PHE A 87 5.180 -2.526 -5.182 1.00 0.00 C ATOM 1277 CE1 PHE A 87 6.919 -4.338 -4.042 1.00 0.00 C ATOM 1278 CE2 PHE A 87 5.352 -3.771 -5.757 1.00 0.00 C ATOM 1279 CZ PHE A 87 6.222 -4.679 -5.185 1.00 0.00 C ATOM 0 H PHE A 87 7.249 -1.099 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 87 7.642 -0.284 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 87 5.250 -0.941 -2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.963 -0.252 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.288 -2.832 -2.577 1.00 0.00 H new ATOM 0 HD2 PHE A 87 4.498 -1.820 -5.632 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.602 -5.045 -3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.807 -4.034 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 87 6.357 -5.654 -5.631 1.00 0.00 H new ATOM 1289 N LEU A 88 6.006 2.010 -2.377 1.00 0.00 N ATOM 1290 CA LEU A 88 5.651 3.424 -2.348 1.00 0.00 C ATOM 1291 C LEU A 88 6.899 4.300 -2.382 1.00 0.00 C ATOM 1292 O LEU A 88 6.834 5.479 -2.731 1.00 0.00 O ATOM 1293 CB LEU A 88 4.829 3.738 -1.097 1.00 0.00 C ATOM 1294 CG LEU A 88 3.522 2.959 -0.940 1.00 0.00 C ATOM 1295 CD1 LEU A 88 2.980 3.106 0.474 1.00 0.00 C ATOM 1296 CD2 LEU A 88 2.495 3.429 -1.959 1.00 0.00 C ATOM 0 H LEU A 88 5.701 1.482 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 88 5.053 3.641 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.450 3.548 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.596 4.803 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 88 3.726 1.904 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.050 2.545 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.710 2.719 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.791 4.159 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.572 2.864 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.294 4.490 -1.810 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.882 3.271 -2.966 1.00 0.00 H new ATOM 1308 N SER A 89 8.037 3.715 -2.020 1.00 0.00 N ATOM 1309 CA SER A 89 9.300 4.443 -2.008 1.00 0.00 C ATOM 1310 C SER A 89 9.774 4.733 -3.429 1.00 0.00 C ATOM 1311 O SER A 89 10.586 5.630 -3.652 1.00 0.00 O ATOM 1312 CB SER A 89 10.366 3.643 -1.256 1.00 0.00 C ATOM 1313 OG SER A 89 11.416 4.485 -0.811 1.00 0.00 O ATOM 0 H SER A 89 8.110 2.739 -1.731 1.00 0.00 H new ATOM 0 HA SER A 89 9.139 5.392 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 89 9.913 3.140 -0.402 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.769 2.867 -1.906 1.00 0.00 H new ATOM 0 HG SER A 89 12.083 3.950 -0.332 1.00 0.00 H new ATOM 1319 N GLN A 90 9.260 3.966 -4.385 1.00 0.00 N ATOM 1320 CA GLN A 90 9.631 4.139 -5.785 1.00 0.00 C ATOM 1321 C GLN A 90 8.980 5.389 -6.369 1.00 0.00 C ATOM 1322 O GLN A 90 7.889 5.795 -5.970 1.00 0.00 O ATOM 1323 CB GLN A 90 9.224 2.910 -6.598 1.00 0.00 C ATOM 1324 CG GLN A 90 9.785 1.606 -6.054 1.00 0.00 C ATOM 1325 CD GLN A 90 11.256 1.425 -6.375 1.00 0.00 C ATOM 1326 OE1 GLN A 90 11.687 1.645 -7.507 1.00 0.00 O ATOM 1327 NE2 GLN A 90 12.035 1.022 -5.378 1.00 0.00 N ATOM 0 H GLN A 90 8.586 3.219 -4.216 1.00 0.00 H new ATOM 0 HA GLN A 90 10.713 4.257 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.136 2.845 -6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.559 3.038 -7.627 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.647 1.578 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.221 0.771 -6.469 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.635 0.851 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 90 13.033 0.883 -5.535 1.00 0.00 H new ATOM 1336 N PRO A 91 9.665 6.015 -7.338 1.00 0.00 N ATOM 1337 CA PRO A 91 9.172 7.228 -7.998 1.00 0.00 C ATOM 1338 C PRO A 91 7.968 6.953 -8.892 1.00 0.00 C ATOM 1339 O PRO A 91 7.067 7.783 -9.008 1.00 0.00 O ATOM 1340 CB PRO A 91 10.368 7.685 -8.837 1.00 0.00 C ATOM 1341 CG PRO A 91 11.153 6.444 -9.086 1.00 0.00 C ATOM 1342 CD PRO A 91 10.972 5.587 -7.863 1.00 0.00 C ATOM 0 HA PRO A 91 8.828 7.972 -7.280 1.00 0.00 H new ATOM 0 HB2 PRO A 91 10.044 8.143 -9.772 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.962 8.429 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 91 10.797 5.930 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 91 12.206 6.674 -9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 91 10.977 4.526 -8.111 1.00 0.00 H new ATOM 0 HD3 PRO A 91 11.769 5.749 -7.137 1.00 0.00 H new ATOM 1350 N SER A 92 7.959 5.782 -9.521 1.00 0.00 N ATOM 1351 CA SER A 92 6.867 5.399 -10.408 1.00 0.00 C ATOM 1352 C SER A 92 6.189 4.124 -9.915 1.00 0.00 C ATOM 1353 O SER A 92 6.854 3.154 -9.550 1.00 0.00 O ATOM 1354 CB SER A 92 7.385 5.196 -11.833 1.00 0.00 C ATOM 1355 OG SER A 92 8.127 3.994 -11.940 1.00 0.00 O ATOM 0 H SER A 92 8.696 5.082 -9.433 1.00 0.00 H new ATOM 0 HA SER A 92 6.133 6.205 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.546 5.172 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.012 6.041 -12.119 1.00 0.00 H new ATOM 0 HG SER A 92 8.445 3.887 -12.861 1.00 0.00 H new ATOM 1361 N LEU A 93 4.860 4.133 -9.907 1.00 0.00 N ATOM 1362 CA LEU A 93 4.090 2.978 -9.460 1.00 0.00 C ATOM 1363 C LEU A 93 2.935 2.691 -10.414 1.00 0.00 C ATOM 1364 O LEU A 93 2.455 3.584 -11.110 1.00 0.00 O ATOM 1365 CB LEU A 93 3.553 3.215 -8.047 1.00 0.00 C ATOM 1366 CG LEU A 93 4.461 2.770 -6.900 1.00 0.00 C ATOM 1367 CD1 LEU A 93 5.387 3.902 -6.483 1.00 0.00 C ATOM 1368 CD2 LEU A 93 3.632 2.294 -5.717 1.00 0.00 C ATOM 0 H LEU A 93 4.294 4.927 -10.205 1.00 0.00 H new ATOM 0 HA LEU A 93 4.752 2.112 -9.450 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.350 4.280 -7.931 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.599 2.696 -7.951 1.00 0.00 H new ATOM 0 HG LEU A 93 5.072 1.937 -7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.026 3.567 -5.666 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.006 4.196 -7.330 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.794 4.755 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.295 1.981 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.995 3.107 -5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.011 1.452 -6.023 1.00 0.00 H new ATOM 1380 N GLY A 94 2.493 1.437 -10.439 1.00 0.00 N ATOM 1381 CA GLY A 94 1.396 1.055 -11.309 1.00 0.00 C ATOM 1382 C GLY A 94 0.307 0.299 -10.573 1.00 0.00 C ATOM 1383 O GLY A 94 0.401 -0.914 -10.386 1.00 0.00 O ATOM 0 H GLY A 94 2.875 0.679 -9.873 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.969 1.949 -11.764 1.00 0.00 H new ATOM 0 HA3 GLY A 94 1.779 0.436 -12.120 1.00 0.00 H new ATOM 1387 N LEU A 95 -0.727 1.018 -10.152 1.00 0.00 N ATOM 1388 CA LEU A 95 -1.839 0.408 -9.429 1.00 0.00 C ATOM 1389 C LEU A 95 -2.958 0.012 -10.386 1.00 0.00 C ATOM 1390 O LEU A 95 -3.146 0.636 -11.432 1.00 0.00 O ATOM 1391 CB LEU A 95 -2.375 1.373 -8.370 1.00 0.00 C ATOM 1392 CG LEU A 95 -1.349 1.914 -7.374 1.00 0.00 C ATOM 1393 CD1 LEU A 95 -1.879 3.164 -6.688 1.00 0.00 C ATOM 1394 CD2 LEU A 95 -0.990 0.851 -6.347 1.00 0.00 C ATOM 0 H LEU A 95 -0.820 2.023 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.471 -0.493 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.838 2.218 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.162 0.867 -7.811 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.445 2.181 -7.922 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.135 3.535 -5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.084 3.930 -7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.798 2.924 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.259 1.254 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.887 0.552 -5.804 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.567 -0.016 -6.854 1.00 0.00 H new ATOM 1406 N LEU A 96 -3.701 -1.027 -10.022 1.00 0.00 N ATOM 1407 CA LEU A 96 -4.805 -1.506 -10.847 1.00 0.00 C ATOM 1408 C LEU A 96 -6.112 -1.508 -10.060 1.00 0.00 C ATOM 1409 O LEU A 96 -6.311 -2.333 -9.169 1.00 0.00 O ATOM 1410 CB LEU A 96 -4.507 -2.914 -11.366 1.00 0.00 C ATOM 1411 CG LEU A 96 -5.703 -3.697 -11.908 1.00 0.00 C ATOM 1412 CD1 LEU A 96 -6.202 -3.079 -13.205 1.00 0.00 C ATOM 1413 CD2 LEU A 96 -5.333 -5.158 -12.118 1.00 0.00 C ATOM 0 H LEU A 96 -3.559 -1.554 -9.161 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.913 -0.829 -11.694 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.760 -2.838 -12.156 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.058 -3.490 -10.557 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.507 -3.649 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.053 -3.650 -13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.507 -2.049 -13.023 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.403 -3.095 -13.947 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.196 -5.700 -12.504 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.512 -5.226 -12.832 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.025 -5.595 -11.168 1.00 0.00 H new ATOM 1425 N VAL A 97 -7.001 -0.579 -10.398 1.00 0.00 N ATOM 1426 CA VAL A 97 -8.291 -0.476 -9.726 1.00 0.00 C ATOM 1427 C VAL A 97 -9.440 -0.670 -10.709 1.00 0.00 C ATOM 1428 O VAL A 97 -9.258 -0.564 -11.922 1.00 0.00 O ATOM 1429 CB VAL A 97 -8.452 0.887 -9.028 1.00 0.00 C ATOM 1430 CG1 VAL A 97 -7.487 1.006 -7.858 1.00 0.00 C ATOM 1431 CG2 VAL A 97 -8.242 2.022 -10.020 1.00 0.00 C ATOM 0 H VAL A 97 -6.852 0.113 -11.133 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.321 -1.266 -8.976 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.468 0.958 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.616 1.976 -7.377 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.690 0.214 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.463 0.914 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.360 2.978 -9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.239 1.956 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.977 1.946 -10.821 1.00 0.00 H new ATOM 1441 N ARG A 98 -10.624 -0.956 -10.177 1.00 0.00 N ATOM 1442 CA ARG A 98 -11.804 -1.166 -11.008 1.00 0.00 C ATOM 1443 C ARG A 98 -12.727 0.048 -10.958 1.00 0.00 C ATOM 1444 O ARG A 98 -12.801 0.745 -9.945 1.00 0.00 O ATOM 1445 CB ARG A 98 -12.560 -2.414 -10.550 1.00 0.00 C ATOM 1446 CG ARG A 98 -13.489 -2.986 -11.609 1.00 0.00 C ATOM 1447 CD ARG A 98 -13.668 -4.486 -11.442 1.00 0.00 C ATOM 1448 NE ARG A 98 -12.597 -5.241 -12.087 1.00 0.00 N ATOM 1449 CZ ARG A 98 -12.449 -6.555 -11.968 1.00 0.00 C ATOM 1450 NH1 ARG A 98 -13.299 -7.258 -11.232 1.00 0.00 N ATOM 1451 NH2 ARG A 98 -11.449 -7.170 -12.587 1.00 0.00 N ATOM 0 H ARG A 98 -10.792 -1.048 -9.175 1.00 0.00 H new ATOM 0 HA ARG A 98 -11.473 -1.307 -12.037 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.840 -3.179 -10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.142 -2.170 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -14.460 -2.494 -11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.087 -2.775 -12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.696 -4.732 -10.380 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.627 -4.786 -11.864 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.926 -4.731 -12.661 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.069 -6.789 -10.755 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.182 -8.267 -11.143 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.793 -6.633 -13.155 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.336 -8.180 -12.495 1.00 0.00 H new ATOM 1465 N THR A 99 -13.430 0.297 -12.059 1.00 0.00 N ATOM 1466 CA THR A 99 -14.347 1.426 -12.141 1.00 0.00 C ATOM 1467 C THR A 99 -15.556 1.091 -13.007 1.00 0.00 C ATOM 1468 O THR A 99 -15.490 0.216 -13.870 1.00 0.00 O ATOM 1469 CB THR A 99 -13.650 2.675 -12.715 1.00 0.00 C ATOM 1470 OG1 THR A 99 -14.437 3.841 -12.448 1.00 0.00 O ATOM 1471 CG2 THR A 99 -13.435 2.534 -14.214 1.00 0.00 C ATOM 0 H THR A 99 -13.381 -0.269 -12.906 1.00 0.00 H new ATOM 0 HA THR A 99 -14.679 1.638 -11.125 1.00 0.00 H new ATOM 0 HB THR A 99 -12.678 2.775 -12.233 1.00 0.00 H new ATOM 0 HG1 THR A 99 -13.987 4.631 -12.814 1.00 0.00 H new ATOM 0 HG21 THR A 99 -12.942 3.428 -14.596 1.00 0.00 H new ATOM 0 HG22 THR A 99 -12.811 1.662 -14.412 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.398 2.411 -14.710 1.00 0.00 H new ATOM 1479 N TYR A 100 -16.659 1.793 -12.771 1.00 0.00 N ATOM 1480 CA TYR A 100 -17.885 1.568 -13.529 1.00 0.00 C ATOM 1481 C TYR A 100 -17.979 2.529 -14.710 1.00 0.00 C ATOM 1482 O TYR A 100 -17.764 3.734 -14.581 1.00 0.00 O ATOM 1483 CB TYR A 100 -19.106 1.732 -12.623 1.00 0.00 C ATOM 1484 CG TYR A 100 -18.943 1.092 -11.263 1.00 0.00 C ATOM 1485 CD1 TYR A 100 -18.178 1.699 -10.275 1.00 0.00 C ATOM 1486 CD2 TYR A 100 -19.554 -0.120 -10.966 1.00 0.00 C ATOM 1487 CE1 TYR A 100 -18.025 1.118 -9.032 1.00 0.00 C ATOM 1488 CE2 TYR A 100 -19.408 -0.708 -9.725 1.00 0.00 C ATOM 1489 CZ TYR A 100 -18.642 -0.086 -8.761 1.00 0.00 C ATOM 1490 OH TYR A 100 -18.494 -0.667 -7.523 1.00 0.00 O ATOM 0 H TYR A 100 -16.730 2.522 -12.061 1.00 0.00 H new ATOM 0 HA TYR A 100 -17.863 0.549 -13.915 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -19.311 2.795 -12.493 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -19.975 1.298 -13.117 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -17.694 2.642 -10.483 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -20.153 -0.611 -11.719 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -17.426 1.603 -8.276 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -19.891 -1.650 -9.510 1.00 0.00 H new ATOM 0 HH TYR A 100 -18.993 -1.510 -7.496 1.00 0.00 H new ATOM 1500 N PRO A 101 -18.310 1.984 -15.890 1.00 0.00 N ATOM 1501 CA PRO A 101 -18.443 2.775 -17.117 1.00 0.00 C ATOM 1502 C PRO A 101 -19.661 3.691 -17.088 1.00 0.00 C ATOM 1503 O PRO A 101 -20.778 3.245 -16.825 1.00 0.00 O ATOM 1504 CB PRO A 101 -18.599 1.712 -18.208 1.00 0.00 C ATOM 1505 CG PRO A 101 -19.161 0.526 -17.504 1.00 0.00 C ATOM 1506 CD PRO A 101 -18.581 0.555 -16.117 1.00 0.00 C ATOM 0 HA PRO A 101 -17.592 3.440 -17.268 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -19.264 2.053 -19.001 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -17.641 1.479 -18.673 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -20.250 0.570 -17.473 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -18.894 -0.397 -18.019 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -19.279 0.157 -15.381 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.672 -0.042 -16.049 1.00 0.00 H new ATOM 1514 N GLU A 102 -19.439 4.973 -17.359 1.00 0.00 N ATOM 1515 CA GLU A 102 -20.520 5.951 -17.363 1.00 0.00 C ATOM 1516 C GLU A 102 -20.162 7.154 -18.231 1.00 0.00 C ATOM 1517 O GLU A 102 -18.997 7.364 -18.572 1.00 0.00 O ATOM 1518 CB GLU A 102 -20.827 6.411 -15.937 1.00 0.00 C ATOM 1519 CG GLU A 102 -22.171 7.105 -15.796 1.00 0.00 C ATOM 1520 CD GLU A 102 -22.776 6.932 -14.417 1.00 0.00 C ATOM 1521 OE1 GLU A 102 -22.007 6.869 -13.435 1.00 0.00 O ATOM 1522 OE2 GLU A 102 -24.019 6.859 -14.319 1.00 0.00 O ATOM 0 H GLU A 102 -18.521 5.358 -17.579 1.00 0.00 H new ATOM 0 HA GLU A 102 -21.406 5.473 -17.781 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -20.802 5.547 -15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -20.041 7.090 -15.606 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -22.050 8.168 -16.005 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -22.860 6.710 -16.543 1.00 0.00 H new ATOM 1529 N LEU A 103 -21.172 7.941 -18.586 1.00 0.00 N ATOM 1530 CA LEU A 103 -20.965 9.124 -19.415 1.00 0.00 C ATOM 1531 C LEU A 103 -20.779 10.368 -18.553 1.00 0.00 C ATOM 1532 O LEU A 103 -21.310 11.434 -18.862 1.00 0.00 O ATOM 1533 CB LEU A 103 -22.150 9.319 -20.363 1.00 0.00 C ATOM 1534 CG LEU A 103 -22.145 8.463 -21.630 1.00 0.00 C ATOM 1535 CD1 LEU A 103 -23.557 8.296 -22.167 1.00 0.00 C ATOM 1536 CD2 LEU A 103 -21.240 9.080 -22.686 1.00 0.00 C ATOM 0 H LEU A 103 -22.142 7.782 -18.313 1.00 0.00 H new ATOM 0 HA LEU A 103 -20.059 8.973 -20.001 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -23.068 9.112 -19.812 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -22.185 10.368 -20.658 1.00 0.00 H new ATOM 0 HG LEU A 103 -21.756 7.477 -21.378 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -23.533 7.684 -23.069 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -24.177 7.809 -21.414 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -23.974 9.275 -22.404 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -21.248 8.458 -23.581 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -21.599 10.078 -22.935 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -20.223 9.146 -22.300 1.00 0.00 H new ATOM 1548 N GLU A 104 -20.019 10.224 -17.471 1.00 0.00 N ATOM 1549 CA GLU A 104 -19.762 11.337 -16.565 1.00 0.00 C ATOM 1550 C GLU A 104 -18.272 11.454 -16.256 1.00 0.00 C ATOM 1551 O GLU A 104 -17.881 11.677 -15.111 1.00 0.00 O ATOM 1552 CB GLU A 104 -20.550 11.159 -15.266 1.00 0.00 C ATOM 1553 CG GLU A 104 -20.117 9.952 -14.451 1.00 0.00 C ATOM 1554 CD GLU A 104 -20.492 10.072 -12.987 1.00 0.00 C ATOM 1555 OE1 GLU A 104 -21.489 10.760 -12.685 1.00 0.00 O ATOM 1556 OE2 GLU A 104 -19.788 9.479 -12.143 1.00 0.00 O ATOM 0 H GLU A 104 -19.571 9.348 -17.201 1.00 0.00 H new ATOM 0 HA GLU A 104 -20.087 12.254 -17.056 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -20.438 12.056 -14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -21.610 11.065 -15.504 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -20.574 9.054 -14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -19.037 9.829 -14.537 1.00 0.00 H new ATOM 1563 N GLU A 105 -17.446 11.300 -17.287 1.00 0.00 N ATOM 1564 CA GLU A 105 -15.999 11.386 -17.125 1.00 0.00 C ATOM 1565 C GLU A 105 -15.442 12.602 -17.861 1.00 0.00 C ATOM 1566 O GLU A 105 -15.521 12.690 -19.085 1.00 0.00 O ATOM 1567 CB GLU A 105 -15.329 10.112 -17.642 1.00 0.00 C ATOM 1568 CG GLU A 105 -15.692 8.868 -16.848 1.00 0.00 C ATOM 1569 CD GLU A 105 -14.597 7.820 -16.872 1.00 0.00 C ATOM 1570 OE1 GLU A 105 -13.904 7.709 -17.905 1.00 0.00 O ATOM 1571 OE2 GLU A 105 -14.432 7.111 -15.857 1.00 0.00 O ATOM 0 H GLU A 105 -17.754 11.115 -18.242 1.00 0.00 H new ATOM 0 HA GLU A 105 -15.783 11.495 -16.062 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.609 9.962 -18.685 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.247 10.245 -17.618 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.899 9.148 -15.815 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.609 8.439 -17.251 1.00 0.00 H new ATOM 1578 N GLY A 106 -14.877 13.537 -17.103 1.00 0.00 N ATOM 1579 CA GLY A 106 -14.315 14.735 -17.699 1.00 0.00 C ATOM 1580 C GLY A 106 -13.983 15.795 -16.667 1.00 0.00 C ATOM 1581 O GLY A 106 -13.159 15.572 -15.780 1.00 0.00 O ATOM 0 H GLY A 106 -14.799 13.486 -16.087 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.412 14.473 -18.250 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.022 15.144 -18.421 1.00 0.00 H new ATOM 1585 N VAL A 107 -14.625 16.953 -16.783 1.00 0.00 N ATOM 1586 CA VAL A 107 -14.393 18.052 -15.854 1.00 0.00 C ATOM 1587 C VAL A 107 -15.709 18.653 -15.374 1.00 0.00 C ATOM 1588 O VAL A 107 -16.618 18.894 -16.167 1.00 0.00 O ATOM 1589 CB VAL A 107 -13.539 19.161 -16.497 1.00 0.00 C ATOM 1590 CG1 VAL A 107 -14.239 19.732 -17.721 1.00 0.00 C ATOM 1591 CG2 VAL A 107 -13.238 20.256 -15.485 1.00 0.00 C ATOM 0 H VAL A 107 -15.310 17.154 -17.511 1.00 0.00 H new ATOM 0 HA VAL A 107 -13.854 17.637 -15.002 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.593 18.726 -16.819 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.621 20.514 -18.162 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.398 18.939 -18.452 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -15.201 20.152 -17.427 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -12.634 21.031 -15.956 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -14.173 20.690 -15.130 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.692 19.832 -14.642 1.00 0.00 H new ATOM 1601 N GLU A 108 -15.803 18.894 -14.070 1.00 0.00 N ATOM 1602 CA GLU A 108 -17.009 19.467 -13.484 1.00 0.00 C ATOM 1603 C GLU A 108 -16.800 19.782 -12.006 1.00 0.00 C ATOM 1604 O GLU A 108 -16.051 19.092 -11.313 1.00 0.00 O ATOM 1605 CB GLU A 108 -18.189 18.508 -13.651 1.00 0.00 C ATOM 1606 CG GLU A 108 -18.067 17.242 -12.819 1.00 0.00 C ATOM 1607 CD GLU A 108 -19.089 16.190 -13.203 1.00 0.00 C ATOM 1608 OE1 GLU A 108 -19.270 15.954 -14.416 1.00 0.00 O ATOM 1609 OE2 GLU A 108 -19.709 15.604 -12.291 1.00 0.00 O ATOM 0 H GLU A 108 -15.059 18.701 -13.400 1.00 0.00 H new ATOM 0 HA GLU A 108 -17.229 20.397 -14.008 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -19.108 19.025 -13.377 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -18.278 18.235 -14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -17.065 16.830 -12.937 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -18.187 17.492 -11.765 1.00 0.00 H new ATOM 1616 N SER A 109 -17.467 20.828 -11.529 1.00 0.00 N ATOM 1617 CA SER A 109 -17.351 21.237 -10.134 1.00 0.00 C ATOM 1618 C SER A 109 -18.722 21.279 -9.465 1.00 0.00 C ATOM 1619 O SER A 109 -19.644 21.930 -9.953 1.00 0.00 O ATOM 1620 CB SER A 109 -16.682 22.610 -10.037 1.00 0.00 C ATOM 1621 OG SER A 109 -16.215 22.858 -8.723 1.00 0.00 O ATOM 0 H SER A 109 -18.093 21.408 -12.088 1.00 0.00 H new ATOM 0 HA SER A 109 -16.735 20.503 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.849 22.662 -10.738 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.392 23.385 -10.326 1.00 0.00 H new ATOM 0 HG SER A 109 -15.790 23.740 -8.688 1.00 0.00 H new ATOM 1627 N GLY A 110 -18.847 20.578 -8.342 1.00 0.00 N ATOM 1628 CA GLY A 110 -20.107 20.547 -7.623 1.00 0.00 C ATOM 1629 C GLY A 110 -20.410 21.859 -6.928 1.00 0.00 C ATOM 1630 O GLY A 110 -19.541 22.474 -6.309 1.00 0.00 O ATOM 0 H GLY A 110 -18.098 20.031 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -20.913 20.313 -8.319 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -20.081 19.746 -6.884 1.00 0.00 H new ATOM 1634 N PRO A 111 -21.670 22.308 -7.027 1.00 0.00 N ATOM 1635 CA PRO A 111 -22.114 23.562 -6.409 1.00 0.00 C ATOM 1636 C PRO A 111 -22.161 23.473 -4.887 1.00 0.00 C ATOM 1637 O PRO A 111 -22.813 22.592 -4.327 1.00 0.00 O ATOM 1638 CB PRO A 111 -23.522 23.757 -6.977 1.00 0.00 C ATOM 1639 CG PRO A 111 -23.985 22.384 -7.322 1.00 0.00 C ATOM 1640 CD PRO A 111 -22.758 21.628 -7.748 1.00 0.00 C ATOM 0 HA PRO A 111 -21.434 24.386 -6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -24.182 24.225 -6.247 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -23.509 24.403 -7.855 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -24.460 21.906 -6.466 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -24.724 22.411 -8.123 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -22.822 20.574 -7.478 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -22.614 21.672 -8.827 1.00 0.00 H new ATOM 1648 N SER A 112 -21.466 24.392 -4.224 1.00 0.00 N ATOM 1649 CA SER A 112 -21.426 24.415 -2.767 1.00 0.00 C ATOM 1650 C SER A 112 -22.437 25.414 -2.211 1.00 0.00 C ATOM 1651 O SER A 112 -22.356 26.612 -2.484 1.00 0.00 O ATOM 1652 CB SER A 112 -20.020 24.771 -2.280 1.00 0.00 C ATOM 1653 OG SER A 112 -19.231 23.607 -2.105 1.00 0.00 O ATOM 0 H SER A 112 -20.923 25.130 -4.673 1.00 0.00 H new ATOM 0 HA SER A 112 -21.687 23.421 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 112 -19.540 25.435 -2.999 1.00 0.00 H new ATOM 0 HB3 SER A 112 -20.085 25.315 -1.338 1.00 0.00 H new ATOM 0 HG SER A 112 -18.337 23.861 -1.795 1.00 0.00 H new ATOM 1659 N SER A 113 -23.389 24.912 -1.432 1.00 0.00 N ATOM 1660 CA SER A 113 -24.419 25.758 -0.840 1.00 0.00 C ATOM 1661 C SER A 113 -23.850 27.123 -0.464 1.00 0.00 C ATOM 1662 O SER A 113 -22.785 27.218 0.144 1.00 0.00 O ATOM 1663 CB SER A 113 -25.015 25.083 0.396 1.00 0.00 C ATOM 1664 OG SER A 113 -24.006 24.757 1.336 1.00 0.00 O ATOM 0 H SER A 113 -23.469 23.923 -1.196 1.00 0.00 H new ATOM 0 HA SER A 113 -25.206 25.903 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 113 -25.747 25.745 0.858 1.00 0.00 H new ATOM 0 HB3 SER A 113 -25.546 24.178 0.100 1.00 0.00 H new ATOM 0 HG SER A 113 -24.413 24.328 2.118 1.00 0.00 H new ATOM 1670 N GLY A 114 -24.570 28.179 -0.832 1.00 0.00 N ATOM 1671 CA GLY A 114 -24.123 29.525 -0.526 1.00 0.00 C ATOM 1672 C GLY A 114 -24.017 29.775 0.966 1.00 0.00 C ATOM 1673 O GLY A 114 -25.029 29.918 1.651 1.00 0.00 O ATOM 0 H GLY A 114 -25.455 28.126 -1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -23.152 29.696 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -24.816 30.243 -0.963 1.00 0.00 H new TER 1677 GLY A 114