USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 889 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 93 CYS SG : rot -47:sc= -0.347 USER MOD Set 1.2: A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 29 HIS : no HE2:sc= -5.1 K(o=-8.8,f=-19!) USER MOD Set 2.2: A 31 SER OG : rot 180:sc= -0.416 USER MOD Set 2.3: A 64 GLN : amide:sc= -3.29! C(o=-8.8!,f=-7.2!) 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= -0.0403 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0871 X(o=-0.087,f=-0.54) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.0879 X(o=0.088,f=0) USER MOD Single : A 32 ASN : amide:sc= -6.35! C(o=-6.4!,f=-18!) USER MOD Single : A 35 HIS : no HD1:sc= -0.215 X(o=-0.22,f=-0.25) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot -179:sc= 0.187 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0133) USER MOD Single : A 55 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.096) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 166:sc= -0.719 (180deg=-1.8) USER MOD Single : A 61 MET CE :methyl -173:sc= 0 (180deg=-0.0703) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl -108:sc= -2.66 (180deg=-4.93!) USER MOD Single : A 71 THR OG1 : rot -73:sc= 0.417 USER MOD Single : A 76 MET CE :methyl -116:sc= -3.48! (180deg=-7.4!) USER MOD Single : A 78 MET CE :methyl 144:sc= -3.3! (180deg=-5.6!) USER MOD Single : A 81 HIS : no HE2:sc= 0.224 K(o=0.22,f=-0.95) USER MOD Single : A 82 CYS SG : rot -9:sc= -0.633 USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= -0.0094 (180deg=-0.638) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.8!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0793 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.757 -5.372 19.026 1.00 0.00 N ATOM 2 CA GLY A 1 11.711 -3.954 19.337 1.00 0.00 C ATOM 3 C GLY A 1 10.348 -3.346 19.076 1.00 0.00 C ATOM 4 O GLY A 1 9.549 -3.179 19.997 1.00 0.00 O ATOM 0 H1 GLY A 1 12.710 -5.740 19.222 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.063 -5.879 19.612 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.531 -5.515 18.021 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.977 -3.806 20.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.459 -3.430 18.741 1.00 0.00 H new ATOM 8 N SER A 2 10.082 -3.013 17.817 1.00 0.00 N ATOM 9 CA SER A 2 8.807 -2.415 17.437 1.00 0.00 C ATOM 10 C SER A 2 7.664 -3.409 17.620 1.00 0.00 C ATOM 11 O SER A 2 7.888 -4.614 17.738 1.00 0.00 O ATOM 12 CB SER A 2 8.856 -1.937 15.985 1.00 0.00 C ATOM 13 OG SER A 2 9.039 -3.025 15.097 1.00 0.00 O ATOM 0 H SER A 2 10.732 -3.147 17.043 1.00 0.00 H new ATOM 0 HA SER A 2 8.628 -1.559 18.087 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.932 -1.414 15.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.669 -1.222 15.861 1.00 0.00 H new ATOM 0 HG SER A 2 9.065 -2.694 14.175 1.00 0.00 H new ATOM 19 N SER A 3 6.439 -2.895 17.642 1.00 0.00 N ATOM 20 CA SER A 3 5.260 -3.736 17.814 1.00 0.00 C ATOM 21 C SER A 3 4.184 -3.379 16.793 1.00 0.00 C ATOM 22 O SER A 3 3.599 -4.255 16.158 1.00 0.00 O ATOM 23 CB SER A 3 4.704 -3.588 19.231 1.00 0.00 C ATOM 24 OG SER A 3 4.501 -2.225 19.560 1.00 0.00 O ATOM 0 H SER A 3 6.237 -1.900 17.543 1.00 0.00 H new ATOM 0 HA SER A 3 5.557 -4.772 17.655 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.762 -4.129 19.313 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.394 -4.039 19.945 1.00 0.00 H new ATOM 0 HG SER A 3 4.144 -2.158 20.470 1.00 0.00 H new ATOM 30 N GLY A 4 3.928 -2.083 16.641 1.00 0.00 N ATOM 31 CA GLY A 4 2.924 -1.631 15.696 1.00 0.00 C ATOM 32 C GLY A 4 1.557 -2.222 15.978 1.00 0.00 C ATOM 33 O GLY A 4 1.107 -3.127 15.275 1.00 0.00 O ATOM 0 H GLY A 4 4.398 -1.338 17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.861 -0.543 15.730 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.232 -1.901 14.686 1.00 0.00 H new ATOM 37 N SER A 5 0.894 -1.709 17.010 1.00 0.00 N ATOM 38 CA SER A 5 -0.429 -2.196 17.386 1.00 0.00 C ATOM 39 C SER A 5 -1.453 -1.065 17.356 1.00 0.00 C ATOM 40 O SER A 5 -2.560 -1.229 16.843 1.00 0.00 O ATOM 41 CB SER A 5 -0.387 -2.823 18.780 1.00 0.00 C ATOM 42 OG SER A 5 -0.037 -1.863 19.762 1.00 0.00 O ATOM 0 H SER A 5 1.251 -0.957 17.600 1.00 0.00 H new ATOM 0 HA SER A 5 -0.729 -2.954 16.663 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.360 -3.253 19.018 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.334 -3.640 18.793 1.00 0.00 H new ATOM 0 HG SER A 5 -0.019 -2.289 20.644 1.00 0.00 H new ATOM 48 N SER A 6 -1.074 0.083 17.909 1.00 0.00 N ATOM 49 CA SER A 6 -1.959 1.241 17.950 1.00 0.00 C ATOM 50 C SER A 6 -2.134 1.839 16.557 1.00 0.00 C ATOM 51 O SER A 6 -1.353 1.564 15.647 1.00 0.00 O ATOM 52 CB SER A 6 -1.406 2.299 18.906 1.00 0.00 C ATOM 53 OG SER A 6 -2.333 2.590 19.936 1.00 0.00 O ATOM 0 H SER A 6 -0.160 0.236 18.335 1.00 0.00 H new ATOM 0 HA SER A 6 -2.933 0.911 18.310 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.472 1.946 19.343 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.176 3.209 18.352 1.00 0.00 H new ATOM 0 HG SER A 6 -1.955 3.268 20.534 1.00 0.00 H new ATOM 59 N GLY A 7 -3.170 2.659 16.398 1.00 0.00 N ATOM 60 CA GLY A 7 -3.431 3.283 15.114 1.00 0.00 C ATOM 61 C GLY A 7 -2.364 4.290 14.732 1.00 0.00 C ATOM 62 O GLY A 7 -1.344 4.414 15.410 1.00 0.00 O ATOM 0 H GLY A 7 -3.832 2.902 17.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.492 2.513 14.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.401 3.780 15.145 1.00 0.00 H new ATOM 66 N LYS A 8 -2.598 5.012 13.641 1.00 0.00 N ATOM 67 CA LYS A 8 -1.650 6.013 13.167 1.00 0.00 C ATOM 68 C LYS A 8 -2.351 7.339 12.889 1.00 0.00 C ATOM 69 O LYS A 8 -1.850 8.406 13.242 1.00 0.00 O ATOM 70 CB LYS A 8 -0.945 5.521 11.902 1.00 0.00 C ATOM 71 CG LYS A 8 0.451 4.978 12.153 1.00 0.00 C ATOM 72 CD LYS A 8 0.586 3.543 11.670 1.00 0.00 C ATOM 73 CE LYS A 8 0.472 2.554 12.819 1.00 0.00 C ATOM 74 NZ LYS A 8 1.780 2.343 13.501 1.00 0.00 N ATOM 0 H LYS A 8 -3.437 4.922 13.068 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.908 6.172 13.949 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.550 4.742 11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.883 6.343 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.183 5.605 11.644 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.675 5.027 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.186 3.333 10.930 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.547 3.415 11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.259 2.918 13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.101 1.601 12.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.660 1.662 14.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.471 1.971 12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.122 3.248 13.883 1.00 0.00 H new ATOM 88 N LYS A 9 -3.517 7.264 12.254 1.00 0.00 N ATOM 89 CA LYS A 9 -4.290 8.457 11.930 1.00 0.00 C ATOM 90 C LYS A 9 -5.680 8.083 11.425 1.00 0.00 C ATOM 91 O LYS A 9 -5.874 7.059 10.769 1.00 0.00 O ATOM 92 CB LYS A 9 -3.560 9.292 10.876 1.00 0.00 C ATOM 93 CG LYS A 9 -2.941 10.564 11.430 1.00 0.00 C ATOM 94 CD LYS A 9 -1.839 11.088 10.526 1.00 0.00 C ATOM 95 CE LYS A 9 -0.463 10.677 11.028 1.00 0.00 C ATOM 96 NZ LYS A 9 0.052 11.615 12.063 1.00 0.00 N ATOM 0 H LYS A 9 -3.947 6.389 11.954 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.400 9.047 12.840 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.777 8.685 10.422 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -4.260 9.554 10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.713 11.326 11.543 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.536 10.370 12.423 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.986 10.710 9.514 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.898 12.175 10.472 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.513 9.670 11.443 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.234 10.642 10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.991 11.301 12.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.124 12.571 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.600 11.629 12.873 1.00 0.00 H new ATOM 110 N PRO A 10 -6.671 8.933 11.733 1.00 0.00 N ATOM 111 CA PRO A 10 -8.059 8.713 11.317 1.00 0.00 C ATOM 112 C PRO A 10 -8.248 8.884 9.814 1.00 0.00 C ATOM 113 O PRO A 10 -9.312 8.580 9.276 1.00 0.00 O ATOM 114 CB PRO A 10 -8.833 9.792 12.080 1.00 0.00 C ATOM 115 CG PRO A 10 -7.833 10.868 12.331 1.00 0.00 C ATOM 116 CD PRO A 10 -6.512 10.172 12.510 1.00 0.00 C ATOM 0 HA PRO A 10 -8.393 7.698 11.531 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -9.676 10.163 11.496 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -9.239 9.403 13.014 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.795 11.568 11.496 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -8.094 11.444 13.219 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.685 10.777 12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -6.306 9.964 13.560 1.00 0.00 H new ATOM 124 N GLU A 11 -7.211 9.373 9.143 1.00 0.00 N ATOM 125 CA GLU A 11 -7.263 9.584 7.702 1.00 0.00 C ATOM 126 C GLU A 11 -7.995 10.882 7.369 1.00 0.00 C ATOM 127 O GLU A 11 -7.452 11.757 6.696 1.00 0.00 O ATOM 128 CB GLU A 11 -7.958 8.405 7.016 1.00 0.00 C ATOM 129 CG GLU A 11 -7.275 7.957 5.735 1.00 0.00 C ATOM 130 CD GLU A 11 -7.992 6.803 5.064 1.00 0.00 C ATOM 131 OE1 GLU A 11 -8.095 5.726 5.690 1.00 0.00 O ATOM 132 OE2 GLU A 11 -8.449 6.974 3.915 1.00 0.00 O ATOM 0 H GLU A 11 -6.324 9.631 9.575 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.240 9.658 7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.998 7.565 7.709 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.988 8.682 6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.221 8.798 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.250 7.662 5.958 1.00 0.00 H new ATOM 139 N GLY A 12 -9.230 10.999 7.847 1.00 0.00 N ATOM 140 CA GLY A 12 -10.015 12.191 7.590 1.00 0.00 C ATOM 141 C GLY A 12 -11.281 11.895 6.811 1.00 0.00 C ATOM 142 O GLY A 12 -11.531 10.751 6.428 1.00 0.00 O ATOM 0 H GLY A 12 -9.701 10.289 8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.277 12.661 8.538 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.410 12.908 7.035 1.00 0.00 H new ATOM 146 N LYS A 13 -12.084 12.927 6.576 1.00 0.00 N ATOM 147 CA LYS A 13 -13.332 12.773 5.837 1.00 0.00 C ATOM 148 C LYS A 13 -13.276 13.526 4.512 1.00 0.00 C ATOM 149 O LYS A 13 -13.769 14.647 4.386 1.00 0.00 O ATOM 150 CB LYS A 13 -14.510 13.279 6.674 1.00 0.00 C ATOM 151 CG LYS A 13 -15.647 12.280 6.790 1.00 0.00 C ATOM 152 CD LYS A 13 -15.523 11.438 8.049 1.00 0.00 C ATOM 153 CE LYS A 13 -15.160 9.998 7.723 1.00 0.00 C ATOM 154 NZ LYS A 13 -15.854 9.033 8.621 1.00 0.00 N ATOM 0 H LYS A 13 -11.893 13.880 6.887 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.472 11.713 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.154 13.529 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.890 14.200 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.599 12.810 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.652 11.630 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.763 11.867 8.702 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -16.464 11.462 8.598 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.422 9.783 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.082 9.866 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.580 8.063 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -15.584 9.221 9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.883 9.141 8.517 1.00 0.00 H new ATOM 168 N PRO A 14 -12.663 12.896 3.499 1.00 0.00 N ATOM 169 CA PRO A 14 -12.531 13.488 2.163 1.00 0.00 C ATOM 170 C PRO A 14 -13.866 13.573 1.432 1.00 0.00 C ATOM 171 O PRO A 14 -14.667 12.639 1.471 1.00 0.00 O ATOM 172 CB PRO A 14 -11.585 12.525 1.441 1.00 0.00 C ATOM 173 CG PRO A 14 -11.766 11.221 2.140 1.00 0.00 C ATOM 174 CD PRO A 14 -12.053 11.559 3.577 1.00 0.00 C ATOM 0 HA PRO A 14 -12.166 14.514 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.834 12.445 0.383 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.551 12.866 1.501 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.586 10.653 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.871 10.605 2.055 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.729 10.835 4.033 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.143 11.567 4.177 1.00 0.00 H new ATOM 182 N ASP A 15 -14.098 14.698 0.764 1.00 0.00 N ATOM 183 CA ASP A 15 -15.336 14.905 0.022 1.00 0.00 C ATOM 184 C ASP A 15 -15.051 15.489 -1.358 1.00 0.00 C ATOM 185 O ASP A 15 -13.928 15.897 -1.649 1.00 0.00 O ATOM 186 CB ASP A 15 -16.273 15.831 0.798 1.00 0.00 C ATOM 187 CG ASP A 15 -17.719 15.381 0.732 1.00 0.00 C ATOM 188 OD1 ASP A 15 -17.979 14.185 0.979 1.00 0.00 O ATOM 189 OD2 ASP A 15 -18.591 16.224 0.434 1.00 0.00 O ATOM 0 H ASP A 15 -13.445 15.480 0.721 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.820 13.937 -0.106 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.956 15.873 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.192 16.842 0.399 1.00 0.00 H new ATOM 194 N GLN A 16 -16.076 15.525 -2.203 1.00 0.00 N ATOM 195 CA GLN A 16 -15.935 16.057 -3.553 1.00 0.00 C ATOM 196 C GLN A 16 -15.764 17.573 -3.525 1.00 0.00 C ATOM 197 O GLN A 16 -16.235 18.245 -2.607 1.00 0.00 O ATOM 198 CB GLN A 16 -17.153 15.685 -4.401 1.00 0.00 C ATOM 199 CG GLN A 16 -18.472 16.153 -3.808 1.00 0.00 C ATOM 200 CD GLN A 16 -19.460 16.603 -4.867 1.00 0.00 C ATOM 201 OE1 GLN A 16 -20.211 15.794 -5.415 1.00 0.00 O ATOM 202 NE2 GLN A 16 -19.467 17.897 -5.160 1.00 0.00 N ATOM 0 H GLN A 16 -17.013 15.192 -1.977 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.043 15.617 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -17.038 16.116 -5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -17.183 14.602 -4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -18.912 15.343 -3.226 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -18.284 16.976 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -18.828 18.532 -4.682 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -20.112 18.257 -5.864 1.00 0.00 H new ATOM 211 N LYS A 17 -15.085 18.106 -4.535 1.00 0.00 N ATOM 212 CA LYS A 17 -14.851 19.541 -4.629 1.00 0.00 C ATOM 213 C LYS A 17 -16.050 20.248 -5.253 1.00 0.00 C ATOM 214 O LYS A 17 -16.533 21.253 -4.729 1.00 0.00 O ATOM 215 CB LYS A 17 -13.593 19.822 -5.454 1.00 0.00 C ATOM 216 CG LYS A 17 -12.358 20.080 -4.610 1.00 0.00 C ATOM 217 CD LYS A 17 -12.089 21.567 -4.453 1.00 0.00 C ATOM 218 CE LYS A 17 -10.621 21.896 -4.677 1.00 0.00 C ATOM 219 NZ LYS A 17 -10.445 23.191 -5.391 1.00 0.00 N ATOM 0 H LYS A 17 -14.686 17.564 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 17 -14.709 19.927 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -13.403 18.974 -6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.773 20.686 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.487 19.627 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.495 19.600 -5.071 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.700 22.125 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.386 21.888 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.108 21.938 -3.716 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.154 21.097 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.431 23.379 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.913 23.142 -6.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.868 23.957 -4.830 1.00 0.00 H new ATOM 233 N PHE A 18 -16.527 19.718 -6.374 1.00 0.00 N ATOM 234 CA PHE A 18 -17.669 20.298 -7.069 1.00 0.00 C ATOM 235 C PHE A 18 -18.227 19.326 -8.104 1.00 0.00 C ATOM 236 O PHE A 18 -17.603 18.314 -8.421 1.00 0.00 O ATOM 237 CB PHE A 18 -17.268 21.609 -7.748 1.00 0.00 C ATOM 238 CG PHE A 18 -15.961 21.528 -8.484 1.00 0.00 C ATOM 239 CD1 PHE A 18 -15.831 20.725 -9.605 1.00 0.00 C ATOM 240 CD2 PHE A 18 -14.863 22.254 -8.053 1.00 0.00 C ATOM 241 CE1 PHE A 18 -14.628 20.647 -10.283 1.00 0.00 C ATOM 242 CE2 PHE A 18 -13.658 22.182 -8.727 1.00 0.00 C ATOM 243 CZ PHE A 18 -13.541 21.378 -9.843 1.00 0.00 C ATOM 0 H PHE A 18 -16.140 18.887 -6.821 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.446 20.502 -6.332 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -18.052 21.901 -8.447 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -17.203 22.394 -6.995 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.678 20.153 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.949 22.884 -7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.538 20.016 -11.155 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -12.810 22.754 -8.381 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.601 21.320 -10.372 1.00 0.00 H new ATOM 253 N ASP A 19 -19.408 19.640 -8.627 1.00 0.00 N ATOM 254 CA ASP A 19 -20.051 18.796 -9.626 1.00 0.00 C ATOM 255 C ASP A 19 -20.215 17.370 -9.109 1.00 0.00 C ATOM 256 O ASP A 19 -19.819 17.058 -7.987 1.00 0.00 O ATOM 257 CB ASP A 19 -19.237 18.791 -10.922 1.00 0.00 C ATOM 258 CG ASP A 19 -19.416 20.066 -11.722 1.00 0.00 C ATOM 259 OD1 ASP A 19 -19.469 21.151 -11.107 1.00 0.00 O ATOM 260 OD2 ASP A 19 -19.502 19.978 -12.965 1.00 0.00 O ATOM 0 H ASP A 19 -19.939 20.474 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 19 -21.040 19.206 -9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.181 18.660 -10.684 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -19.535 17.938 -11.532 1.00 0.00 H new ATOM 265 N GLN A 20 -20.803 16.510 -9.935 1.00 0.00 N ATOM 266 CA GLN A 20 -21.021 15.118 -9.559 1.00 0.00 C ATOM 267 C GLN A 20 -20.385 14.175 -10.575 1.00 0.00 C ATOM 268 O GLN A 20 -20.535 14.354 -11.783 1.00 0.00 O ATOM 269 CB GLN A 20 -22.518 14.828 -9.442 1.00 0.00 C ATOM 270 CG GLN A 20 -22.829 13.495 -8.780 1.00 0.00 C ATOM 271 CD GLN A 20 -24.166 12.927 -9.214 1.00 0.00 C ATOM 272 OE1 GLN A 20 -24.502 12.935 -10.399 1.00 0.00 O ATOM 273 NE2 GLN A 20 -24.936 12.426 -8.256 1.00 0.00 N ATOM 0 H GLN A 20 -21.137 16.753 -10.868 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.550 14.950 -8.591 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.991 15.627 -8.871 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.961 14.842 -10.438 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.040 12.782 -9.019 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -22.826 13.622 -7.697 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -24.618 12.440 -7.287 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -25.845 12.027 -8.489 1.00 0.00 H new ATOM 282 N LYS A 21 -19.675 13.169 -10.077 1.00 0.00 N ATOM 283 CA LYS A 21 -19.016 12.195 -10.939 1.00 0.00 C ATOM 284 C LYS A 21 -17.878 12.842 -11.721 1.00 0.00 C ATOM 285 O LYS A 21 -18.098 13.434 -12.777 1.00 0.00 O ATOM 286 CB LYS A 21 -20.027 11.575 -11.907 1.00 0.00 C ATOM 287 CG LYS A 21 -19.601 10.219 -12.444 1.00 0.00 C ATOM 288 CD LYS A 21 -20.363 9.858 -13.709 1.00 0.00 C ATOM 289 CE LYS A 21 -21.519 8.914 -13.412 1.00 0.00 C ATOM 290 NZ LYS A 21 -22.476 8.835 -14.551 1.00 0.00 N ATOM 0 H LYS A 21 -19.541 13.006 -9.079 1.00 0.00 H new ATOM 0 HA LYS A 21 -18.598 11.411 -10.307 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.986 11.471 -11.400 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -20.181 12.256 -12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.531 10.228 -12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.771 9.456 -11.685 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -20.744 10.766 -14.177 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.685 9.391 -14.423 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.129 7.919 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.044 9.252 -12.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -23.249 8.182 -14.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -22.867 9.780 -14.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -21.981 8.488 -15.397 1.00 0.00 H new ATOM 304 N GLN A 22 -16.663 12.724 -11.195 1.00 0.00 N ATOM 305 CA GLN A 22 -15.491 13.299 -11.847 1.00 0.00 C ATOM 306 C GLN A 22 -14.284 12.379 -11.703 1.00 0.00 C ATOM 307 O GLN A 22 -14.363 11.331 -11.062 1.00 0.00 O ATOM 308 CB GLN A 22 -15.175 14.673 -11.254 1.00 0.00 C ATOM 309 CG GLN A 22 -14.854 15.727 -12.301 1.00 0.00 C ATOM 310 CD GLN A 22 -13.965 16.832 -11.763 1.00 0.00 C ATOM 311 OE1 GLN A 22 -12.899 17.110 -12.313 1.00 0.00 O ATOM 312 NE2 GLN A 22 -14.400 17.468 -10.682 1.00 0.00 N ATOM 0 H GLN A 22 -16.464 12.237 -10.321 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.714 13.412 -12.908 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -16.026 15.008 -10.662 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -14.329 14.580 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -14.363 15.252 -13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -15.783 16.161 -12.671 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.290 17.205 -10.259 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -13.844 18.220 -10.275 1.00 0.00 H new ATOM 321 N GLU A 23 -13.166 12.778 -12.303 1.00 0.00 N ATOM 322 CA GLU A 23 -11.943 11.987 -12.242 1.00 0.00 C ATOM 323 C GLU A 23 -11.773 11.354 -10.864 1.00 0.00 C ATOM 324 O GLU A 23 -11.979 12.005 -9.839 1.00 0.00 O ATOM 325 CB GLU A 23 -10.729 12.860 -12.567 1.00 0.00 C ATOM 326 CG GLU A 23 -10.147 12.603 -13.947 1.00 0.00 C ATOM 327 CD GLU A 23 -8.944 13.477 -14.245 1.00 0.00 C ATOM 328 OE1 GLU A 23 -9.141 14.638 -14.660 1.00 0.00 O ATOM 329 OE2 GLU A 23 -7.805 13.000 -14.062 1.00 0.00 O ATOM 0 H GLU A 23 -13.083 13.644 -12.836 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.018 11.190 -12.982 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.016 13.909 -12.492 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.956 12.687 -11.818 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.858 11.555 -14.026 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.915 12.780 -14.700 1.00 0.00 H new ATOM 336 N LEU A 24 -11.395 10.081 -10.848 1.00 0.00 N ATOM 337 CA LEU A 24 -11.197 9.357 -9.596 1.00 0.00 C ATOM 338 C LEU A 24 -9.751 8.893 -9.458 1.00 0.00 C ATOM 339 O LEU A 24 -9.275 8.071 -10.240 1.00 0.00 O ATOM 340 CB LEU A 24 -12.140 8.154 -9.525 1.00 0.00 C ATOM 341 CG LEU A 24 -13.629 8.476 -9.390 1.00 0.00 C ATOM 342 CD1 LEU A 24 -14.432 7.737 -10.451 1.00 0.00 C ATOM 343 CD2 LEU A 24 -14.127 8.120 -7.998 1.00 0.00 C ATOM 0 H LEU A 24 -11.219 9.528 -11.687 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.421 10.036 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.999 7.553 -10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.844 7.535 -8.678 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.765 9.547 -9.540 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.489 7.978 -10.340 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.093 8.041 -11.441 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -14.290 6.663 -10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.188 8.356 -7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.978 7.055 -7.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.572 8.694 -7.255 1.00 0.00 H new ATOM 355 N GLY A 25 -9.057 9.425 -8.457 1.00 0.00 N ATOM 356 CA GLY A 25 -7.672 9.053 -8.234 1.00 0.00 C ATOM 357 C GLY A 25 -7.533 7.657 -7.657 1.00 0.00 C ATOM 358 O GLY A 25 -8.104 7.351 -6.611 1.00 0.00 O ATOM 0 H GLY A 25 -9.429 10.107 -7.796 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.127 9.109 -9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.211 9.771 -7.556 1.00 0.00 H new ATOM 362 N ARG A 26 -6.773 6.808 -8.343 1.00 0.00 N ATOM 363 CA ARG A 26 -6.564 5.438 -7.893 1.00 0.00 C ATOM 364 C ARG A 26 -5.162 5.262 -7.319 1.00 0.00 C ATOM 365 O ARG A 26 -4.183 5.172 -8.059 1.00 0.00 O ATOM 366 CB ARG A 26 -6.778 4.461 -9.052 1.00 0.00 C ATOM 367 CG ARG A 26 -8.118 4.629 -9.750 1.00 0.00 C ATOM 368 CD ARG A 26 -7.975 4.529 -11.261 1.00 0.00 C ATOM 369 NE ARG A 26 -8.868 5.452 -11.957 1.00 0.00 N ATOM 370 CZ ARG A 26 -8.669 5.868 -13.203 1.00 0.00 C ATOM 371 NH1 ARG A 26 -7.614 5.446 -13.886 1.00 0.00 N ATOM 372 NH2 ARG A 26 -9.526 6.708 -13.768 1.00 0.00 N ATOM 0 H ARG A 26 -6.293 7.045 -9.211 1.00 0.00 H new ATOM 0 HA ARG A 26 -7.289 5.225 -7.107 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.979 4.595 -9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.699 3.441 -8.676 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.811 3.865 -9.398 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -8.548 5.596 -9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.943 4.741 -11.542 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -8.189 3.509 -11.579 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.689 5.796 -11.459 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.952 4.800 -13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.464 5.767 -14.842 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.339 7.035 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.372 7.027 -14.725 1.00 0.00 H new ATOM 386 N VAL A 27 -5.073 5.214 -5.992 1.00 0.00 N ATOM 387 CA VAL A 27 -3.792 5.050 -5.318 1.00 0.00 C ATOM 388 C VAL A 27 -3.892 4.028 -4.191 1.00 0.00 C ATOM 389 O VAL A 27 -4.679 4.193 -3.258 1.00 0.00 O ATOM 390 CB VAL A 27 -3.284 6.385 -4.742 1.00 0.00 C ATOM 391 CG1 VAL A 27 -2.208 6.141 -3.696 1.00 0.00 C ATOM 392 CG2 VAL A 27 -2.764 7.281 -5.856 1.00 0.00 C ATOM 0 H VAL A 27 -5.874 5.287 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.084 4.694 -6.067 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.118 6.893 -4.257 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.862 7.096 -3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.619 5.540 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.371 5.612 -4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.409 8.220 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.943 6.782 -6.371 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.567 7.484 -6.565 1.00 0.00 H new ATOM 402 N ILE A 28 -3.090 2.973 -4.284 1.00 0.00 N ATOM 403 CA ILE A 28 -3.087 1.925 -3.270 1.00 0.00 C ATOM 404 C ILE A 28 -2.046 2.206 -2.191 1.00 0.00 C ATOM 405 O ILE A 28 -0.845 2.054 -2.418 1.00 0.00 O ATOM 406 CB ILE A 28 -2.808 0.542 -3.890 1.00 0.00 C ATOM 407 CG1 ILE A 28 -3.944 0.145 -4.834 1.00 0.00 C ATOM 408 CG2 ILE A 28 -2.628 -0.501 -2.798 1.00 0.00 C ATOM 409 CD1 ILE A 28 -5.171 -0.375 -4.117 1.00 0.00 C ATOM 0 H ILE A 28 -2.434 2.821 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.080 1.919 -2.820 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.885 0.597 -4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.224 1.009 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.584 -0.620 -5.522 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.432 -1.473 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.788 -0.221 -2.162 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.535 -0.558 -2.196 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.936 -0.637 -4.848 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.906 -1.259 -3.536 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.556 0.396 -3.449 1.00 0.00 H new ATOM 421 N HIS A 29 -2.515 2.613 -1.016 1.00 0.00 N ATOM 422 CA HIS A 29 -1.625 2.912 0.100 1.00 0.00 C ATOM 423 C HIS A 29 -1.214 1.635 0.825 1.00 0.00 C ATOM 424 O HIS A 29 -2.064 0.858 1.266 1.00 0.00 O ATOM 425 CB HIS A 29 -2.302 3.874 1.076 1.00 0.00 C ATOM 426 CG HIS A 29 -1.370 4.440 2.103 1.00 0.00 C ATOM 427 ND1 HIS A 29 -1.805 5.106 3.229 1.00 0.00 N ATOM 428 CD2 HIS A 29 -0.018 4.433 2.172 1.00 0.00 C ATOM 429 CE1 HIS A 29 -0.762 5.487 3.944 1.00 0.00 C ATOM 430 NE2 HIS A 29 0.335 5.091 3.325 1.00 0.00 N ATOM 0 H HIS A 29 -3.506 2.743 -0.812 1.00 0.00 H new ATOM 0 HA HIS A 29 -0.728 3.385 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -2.750 4.693 0.514 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.114 3.353 1.583 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -2.781 5.278 3.472 1.00 0.00 H new ATOM 0 HD2 HIS A 29 0.658 3.992 1.454 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -0.800 6.030 4.877 1.00 0.00 H new ATOM 438 N LEU A 30 0.091 1.422 0.948 1.00 0.00 N ATOM 439 CA LEU A 30 0.614 0.238 1.620 1.00 0.00 C ATOM 440 C LEU A 30 1.454 0.626 2.832 1.00 0.00 C ATOM 441 O LEU A 30 2.554 1.162 2.691 1.00 0.00 O ATOM 442 CB LEU A 30 1.452 -0.595 0.649 1.00 0.00 C ATOM 443 CG LEU A 30 0.691 -1.250 -0.505 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.651 -1.669 -1.607 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.106 -2.446 -0.007 1.00 0.00 C ATOM 0 H LEU A 30 0.807 2.054 0.591 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.232 -0.358 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.228 0.045 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.957 -1.378 1.215 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.006 -0.520 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.092 -2.133 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.178 -0.792 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.372 -2.383 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.641 -2.900 -0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.572 -3.179 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.821 -2.118 0.747 1.00 0.00 H new ATOM 457 N SER A 31 0.930 0.350 4.022 1.00 0.00 N ATOM 458 CA SER A 31 1.632 0.672 5.259 1.00 0.00 C ATOM 459 C SER A 31 2.205 -0.587 5.902 1.00 0.00 C ATOM 460 O SER A 31 2.003 -1.696 5.408 1.00 0.00 O ATOM 461 CB SER A 31 0.688 1.374 6.238 1.00 0.00 C ATOM 462 OG SER A 31 0.269 2.629 5.730 1.00 0.00 O ATOM 0 H SER A 31 0.022 -0.096 4.156 1.00 0.00 H new ATOM 0 HA SER A 31 2.456 1.342 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.182 0.744 6.424 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.190 1.515 7.195 1.00 0.00 H new ATOM 0 HG SER A 31 -0.334 3.057 6.373 1.00 0.00 H new ATOM 468 N ASN A 32 2.919 -0.406 7.008 1.00 0.00 N ATOM 469 CA ASN A 32 3.522 -1.527 7.719 1.00 0.00 C ATOM 470 C ASN A 32 4.181 -2.500 6.745 1.00 0.00 C ATOM 471 O ASN A 32 3.717 -3.627 6.566 1.00 0.00 O ATOM 472 CB ASN A 32 2.466 -2.258 8.551 1.00 0.00 C ATOM 473 CG ASN A 32 2.927 -3.635 8.989 1.00 0.00 C ATOM 474 OD1 ASN A 32 2.548 -4.646 8.397 1.00 0.00 O ATOM 475 ND2 ASN A 32 3.748 -3.680 10.032 1.00 0.00 N ATOM 0 H ASN A 32 3.094 0.506 7.431 1.00 0.00 H new ATOM 0 HA ASN A 32 4.290 -1.131 8.384 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.224 -1.662 9.431 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.550 -2.353 7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.091 -4.578 10.373 1.00 0.00 H new ATOM 0 HD22 ASN A 32 4.036 -2.816 10.492 1.00 0.00 H new ATOM 482 N LEU A 33 5.265 -2.057 6.119 1.00 0.00 N ATOM 483 CA LEU A 33 5.990 -2.887 5.162 1.00 0.00 C ATOM 484 C LEU A 33 7.284 -3.416 5.771 1.00 0.00 C ATOM 485 O LEU A 33 7.854 -2.826 6.689 1.00 0.00 O ATOM 486 CB LEU A 33 6.298 -2.088 3.894 1.00 0.00 C ATOM 487 CG LEU A 33 5.120 -1.850 2.948 1.00 0.00 C ATOM 488 CD1 LEU A 33 5.528 -0.927 1.810 1.00 0.00 C ATOM 489 CD2 LEU A 33 4.597 -3.171 2.404 1.00 0.00 C ATOM 0 H LEU A 33 5.662 -1.128 6.256 1.00 0.00 H new ATOM 0 HA LEU A 33 5.358 -3.737 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.703 -1.120 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.082 -2.607 3.343 1.00 0.00 H new ATOM 0 HG LEU A 33 4.319 -1.369 3.510 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.677 -0.769 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.854 0.030 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.346 -1.380 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.759 -2.982 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.392 -3.680 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.265 -3.799 3.231 1.00 0.00 H new ATOM 501 N PRO A 34 7.762 -4.554 5.247 1.00 0.00 N ATOM 502 CA PRO A 34 8.997 -5.186 5.722 1.00 0.00 C ATOM 503 C PRO A 34 10.238 -4.381 5.356 1.00 0.00 C ATOM 504 O PRO A 34 10.145 -3.206 4.997 1.00 0.00 O ATOM 505 CB PRO A 34 9.003 -6.537 5.001 1.00 0.00 C ATOM 506 CG PRO A 34 8.190 -6.315 3.773 1.00 0.00 C ATOM 507 CD PRO A 34 7.135 -5.311 4.150 1.00 0.00 C ATOM 0 HA PRO A 34 9.022 -5.267 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.018 -6.849 4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.572 -7.320 5.625 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.809 -5.942 2.957 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.738 -7.246 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.877 -4.664 3.311 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.214 -5.797 4.472 1.00 0.00 H new ATOM 515 N HIS A 35 11.401 -5.020 5.447 1.00 0.00 N ATOM 516 CA HIS A 35 12.662 -4.362 5.124 1.00 0.00 C ATOM 517 C HIS A 35 13.826 -5.345 5.212 1.00 0.00 C ATOM 518 O HIS A 35 14.779 -5.129 5.960 1.00 0.00 O ATOM 519 CB HIS A 35 12.904 -3.183 6.068 1.00 0.00 C ATOM 520 CG HIS A 35 13.441 -1.966 5.381 1.00 0.00 C ATOM 521 ND1 HIS A 35 12.800 -0.745 5.401 1.00 0.00 N ATOM 522 CD2 HIS A 35 14.568 -1.785 4.652 1.00 0.00 C ATOM 523 CE1 HIS A 35 13.507 0.133 4.713 1.00 0.00 C ATOM 524 NE2 HIS A 35 14.585 -0.473 4.248 1.00 0.00 N ATOM 0 H HIS A 35 11.496 -5.992 5.742 1.00 0.00 H new ATOM 0 HA HIS A 35 12.598 -3.992 4.101 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.968 -2.927 6.563 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.603 -3.489 6.846 1.00 0.00 H new ATOM 0 HD2 HIS A 35 15.314 -2.533 4.430 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.248 1.170 4.557 1.00 0.00 H new ATOM 0 HE2 HIS A 35 15.312 -0.037 3.681 1.00 0.00 H new ATOM 532 N SER A 36 13.740 -6.425 4.442 1.00 0.00 N ATOM 533 CA SER A 36 14.783 -7.444 4.436 1.00 0.00 C ATOM 534 C SER A 36 15.557 -7.420 3.121 1.00 0.00 C ATOM 535 O SER A 36 16.069 -8.444 2.669 1.00 0.00 O ATOM 536 CB SER A 36 14.174 -8.830 4.656 1.00 0.00 C ATOM 537 OG SER A 36 14.528 -9.345 5.927 1.00 0.00 O ATOM 0 H SER A 36 12.959 -6.617 3.814 1.00 0.00 H new ATOM 0 HA SER A 36 15.474 -7.226 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 36 13.089 -8.771 4.573 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.517 -9.510 3.876 1.00 0.00 H new ATOM 0 HG SER A 36 14.126 -10.231 6.045 1.00 0.00 H new ATOM 543 N GLY A 37 15.641 -6.241 2.512 1.00 0.00 N ATOM 544 CA GLY A 37 16.354 -6.105 1.256 1.00 0.00 C ATOM 545 C GLY A 37 15.631 -6.770 0.102 1.00 0.00 C ATOM 546 O GLY A 37 16.252 -7.423 -0.737 1.00 0.00 O ATOM 0 H GLY A 37 15.228 -5.378 2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 37 16.491 -5.047 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 37 17.348 -6.541 1.357 1.00 0.00 H new ATOM 550 N TYR A 38 14.312 -6.607 0.059 1.00 0.00 N ATOM 551 CA TYR A 38 13.502 -7.202 -0.998 1.00 0.00 C ATOM 552 C TYR A 38 13.386 -6.258 -2.191 1.00 0.00 C ATOM 553 O TYR A 38 13.729 -5.079 -2.100 1.00 0.00 O ATOM 554 CB TYR A 38 12.109 -7.546 -0.468 1.00 0.00 C ATOM 555 CG TYR A 38 11.398 -6.375 0.172 1.00 0.00 C ATOM 556 CD1 TYR A 38 10.599 -5.525 -0.583 1.00 0.00 C ATOM 557 CD2 TYR A 38 11.526 -6.118 1.531 1.00 0.00 C ATOM 558 CE1 TYR A 38 9.948 -4.455 -0.004 1.00 0.00 C ATOM 559 CE2 TYR A 38 10.877 -5.050 2.119 1.00 0.00 C ATOM 560 CZ TYR A 38 10.090 -4.221 1.349 1.00 0.00 C ATOM 561 OH TYR A 38 9.443 -3.155 1.931 1.00 0.00 O ATOM 0 H TYR A 38 13.782 -6.068 0.744 1.00 0.00 H new ATOM 0 HA TYR A 38 13.994 -8.117 -1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.500 -7.925 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 38 12.196 -8.351 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 38 10.486 -5.705 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.143 -6.764 2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.331 -3.804 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.986 -4.865 3.178 1.00 0.00 H new ATOM 0 HH TYR A 38 9.660 -3.123 2.886 1.00 0.00 H new ATOM 571 N SER A 39 12.901 -6.786 -3.309 1.00 0.00 N ATOM 572 CA SER A 39 12.742 -5.994 -4.523 1.00 0.00 C ATOM 573 C SER A 39 11.358 -5.353 -4.576 1.00 0.00 C ATOM 574 O SER A 39 10.382 -5.916 -4.081 1.00 0.00 O ATOM 575 CB SER A 39 12.960 -6.866 -5.760 1.00 0.00 C ATOM 576 OG SER A 39 13.995 -6.346 -6.576 1.00 0.00 O ATOM 0 H SER A 39 12.611 -7.760 -3.400 1.00 0.00 H new ATOM 0 HA SER A 39 13.491 -5.202 -4.510 1.00 0.00 H new ATOM 0 HB2 SER A 39 13.210 -7.881 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.035 -6.925 -6.334 1.00 0.00 H new ATOM 0 HG SER A 39 14.115 -6.923 -7.359 1.00 0.00 H new ATOM 582 N ASP A 40 11.283 -4.172 -5.180 1.00 0.00 N ATOM 583 CA ASP A 40 10.019 -3.454 -5.300 1.00 0.00 C ATOM 584 C ASP A 40 8.897 -4.395 -5.726 1.00 0.00 C ATOM 585 O ASP A 40 7.802 -4.365 -5.164 1.00 0.00 O ATOM 586 CB ASP A 40 10.152 -2.310 -6.307 1.00 0.00 C ATOM 587 CG ASP A 40 10.870 -2.734 -7.573 1.00 0.00 C ATOM 588 OD1 ASP A 40 10.199 -3.248 -8.493 1.00 0.00 O ATOM 589 OD2 ASP A 40 12.103 -2.551 -7.645 1.00 0.00 O ATOM 0 H ASP A 40 12.082 -3.692 -5.594 1.00 0.00 H new ATOM 0 HA ASP A 40 9.770 -3.041 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.160 -1.938 -6.563 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.693 -1.484 -5.845 1.00 0.00 H new ATOM 594 N SER A 41 9.177 -5.230 -6.721 1.00 0.00 N ATOM 595 CA SER A 41 8.190 -6.176 -7.225 1.00 0.00 C ATOM 596 C SER A 41 7.484 -6.890 -6.076 1.00 0.00 C ATOM 597 O SER A 41 6.262 -7.031 -6.076 1.00 0.00 O ATOM 598 CB SER A 41 8.859 -7.203 -8.143 1.00 0.00 C ATOM 599 OG SER A 41 8.405 -7.064 -9.478 1.00 0.00 O ATOM 0 H SER A 41 10.080 -5.270 -7.194 1.00 0.00 H new ATOM 0 HA SER A 41 7.447 -5.618 -7.795 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.941 -7.076 -8.108 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.644 -8.210 -7.785 1.00 0.00 H new ATOM 0 HG SER A 41 8.848 -7.729 -10.045 1.00 0.00 H new ATOM 605 N ALA A 42 8.264 -7.336 -5.097 1.00 0.00 N ATOM 606 CA ALA A 42 7.715 -8.032 -3.940 1.00 0.00 C ATOM 607 C ALA A 42 6.540 -7.264 -3.344 1.00 0.00 C ATOM 608 O ALA A 42 5.583 -7.859 -2.850 1.00 0.00 O ATOM 609 CB ALA A 42 8.796 -8.246 -2.890 1.00 0.00 C ATOM 0 H ALA A 42 9.278 -7.228 -5.082 1.00 0.00 H new ATOM 0 HA ALA A 42 7.349 -9.004 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.372 -8.767 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.603 -8.844 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.189 -7.281 -2.571 1.00 0.00 H new ATOM 615 N VAL A 43 6.620 -5.939 -3.392 1.00 0.00 N ATOM 616 CA VAL A 43 5.564 -5.088 -2.857 1.00 0.00 C ATOM 617 C VAL A 43 4.422 -4.937 -3.855 1.00 0.00 C ATOM 618 O VAL A 43 3.289 -4.633 -3.479 1.00 0.00 O ATOM 619 CB VAL A 43 6.098 -3.691 -2.490 1.00 0.00 C ATOM 620 CG1 VAL A 43 4.953 -2.701 -2.348 1.00 0.00 C ATOM 621 CG2 VAL A 43 6.920 -3.755 -1.211 1.00 0.00 C ATOM 0 H VAL A 43 7.406 -5.431 -3.796 1.00 0.00 H new ATOM 0 HA VAL A 43 5.193 -5.575 -1.955 1.00 0.00 H new ATOM 0 HB VAL A 43 6.746 -3.346 -3.296 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.350 -1.720 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.410 -2.635 -3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.276 -3.038 -1.563 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.290 -2.759 -0.966 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.296 -4.121 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.764 -4.430 -1.354 1.00 0.00 H new ATOM 631 N LEU A 44 4.726 -5.151 -5.131 1.00 0.00 N ATOM 632 CA LEU A 44 3.724 -5.040 -6.186 1.00 0.00 C ATOM 633 C LEU A 44 3.060 -6.387 -6.450 1.00 0.00 C ATOM 634 O LEU A 44 2.052 -6.467 -7.153 1.00 0.00 O ATOM 635 CB LEU A 44 4.364 -4.513 -7.471 1.00 0.00 C ATOM 636 CG LEU A 44 5.450 -3.450 -7.293 1.00 0.00 C ATOM 637 CD1 LEU A 44 6.210 -3.241 -8.594 1.00 0.00 C ATOM 638 CD2 LEU A 44 4.840 -2.141 -6.812 1.00 0.00 C ATOM 0 H LEU A 44 5.658 -5.402 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 44 2.959 -4.338 -5.854 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.794 -5.356 -8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.577 -4.098 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 44 6.154 -3.799 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.978 -2.482 -8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.678 -4.178 -8.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.519 -2.914 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.626 -1.396 -6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.115 -1.787 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.342 -2.301 -5.856 1.00 0.00 H new ATOM 650 N LYS A 45 3.628 -7.443 -5.880 1.00 0.00 N ATOM 651 CA LYS A 45 3.090 -8.788 -6.050 1.00 0.00 C ATOM 652 C LYS A 45 1.669 -8.879 -5.505 1.00 0.00 C ATOM 653 O LYS A 45 0.913 -9.785 -5.857 1.00 0.00 O ATOM 654 CB LYS A 45 3.984 -9.811 -5.344 1.00 0.00 C ATOM 655 CG LYS A 45 4.763 -10.698 -6.300 1.00 0.00 C ATOM 656 CD LYS A 45 5.034 -12.065 -5.695 1.00 0.00 C ATOM 657 CE LYS A 45 4.794 -13.179 -6.702 1.00 0.00 C ATOM 658 NZ LYS A 45 5.976 -14.075 -6.832 1.00 0.00 N ATOM 0 H LYS A 45 4.462 -7.394 -5.295 1.00 0.00 H new ATOM 0 HA LYS A 45 3.066 -9.010 -7.117 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.685 -9.284 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.367 -10.438 -4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.203 -10.814 -7.228 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.708 -10.218 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.064 -12.109 -5.341 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.392 -12.213 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.927 -13.764 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.559 -12.745 -7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.772 -14.821 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.798 -13.522 -7.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.185 -14.509 -5.911 1.00 0.00 H new ATOM 672 N LEU A 46 1.308 -7.932 -4.645 1.00 0.00 N ATOM 673 CA LEU A 46 -0.024 -7.904 -4.051 1.00 0.00 C ATOM 674 C LEU A 46 -0.979 -7.069 -4.898 1.00 0.00 C ATOM 675 O LEU A 46 -2.160 -6.942 -4.576 1.00 0.00 O ATOM 676 CB LEU A 46 0.041 -7.341 -2.630 1.00 0.00 C ATOM 677 CG LEU A 46 1.283 -6.516 -2.290 1.00 0.00 C ATOM 678 CD1 LEU A 46 1.062 -5.717 -1.016 1.00 0.00 C ATOM 679 CD2 LEU A 46 2.501 -7.420 -2.150 1.00 0.00 C ATOM 0 H LEU A 46 1.920 -7.173 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.400 -8.926 -4.013 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.839 -6.719 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.021 -8.173 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 46 1.465 -5.816 -3.106 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.957 -5.137 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.217 -5.043 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.854 -6.398 -0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.376 -6.817 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.327 -8.144 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.672 -7.948 -3.088 1.00 0.00 H new ATOM 691 N ALA A 47 -0.460 -6.505 -5.983 1.00 0.00 N ATOM 692 CA ALA A 47 -1.268 -5.687 -6.879 1.00 0.00 C ATOM 693 C ALA A 47 -1.099 -6.128 -8.329 1.00 0.00 C ATOM 694 O ALA A 47 -1.774 -5.621 -9.224 1.00 0.00 O ATOM 695 CB ALA A 47 -0.902 -4.218 -6.727 1.00 0.00 C ATOM 0 H ALA A 47 0.516 -6.599 -6.263 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.315 -5.820 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.513 -3.619 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.081 -3.903 -5.699 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.151 -4.078 -6.971 1.00 0.00 H new ATOM 701 N GLU A 48 -0.194 -7.075 -8.552 1.00 0.00 N ATOM 702 CA GLU A 48 0.064 -7.583 -9.895 1.00 0.00 C ATOM 703 C GLU A 48 -1.178 -8.260 -10.468 1.00 0.00 C ATOM 704 O GLU A 48 -1.720 -7.851 -11.495 1.00 0.00 O ATOM 705 CB GLU A 48 1.233 -8.570 -9.875 1.00 0.00 C ATOM 706 CG GLU A 48 2.496 -8.030 -10.525 1.00 0.00 C ATOM 707 CD GLU A 48 2.600 -8.400 -11.991 1.00 0.00 C ATOM 708 OE1 GLU A 48 2.949 -9.563 -12.286 1.00 0.00 O ATOM 709 OE2 GLU A 48 2.334 -7.528 -12.844 1.00 0.00 O ATOM 0 H GLU A 48 0.373 -7.506 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 48 0.323 -6.738 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.453 -8.839 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.934 -9.485 -10.386 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.516 -6.945 -10.426 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.367 -8.415 -9.994 1.00 0.00 H new ATOM 716 N PRO A 49 -1.638 -9.322 -9.790 1.00 0.00 N ATOM 717 CA PRO A 49 -2.821 -10.079 -10.213 1.00 0.00 C ATOM 718 C PRO A 49 -4.110 -9.285 -10.039 1.00 0.00 C ATOM 719 O PRO A 49 -5.194 -9.760 -10.378 1.00 0.00 O ATOM 720 CB PRO A 49 -2.812 -11.297 -9.285 1.00 0.00 C ATOM 721 CG PRO A 49 -2.074 -10.844 -8.073 1.00 0.00 C ATOM 722 CD PRO A 49 -1.041 -9.865 -8.559 1.00 0.00 C ATOM 0 HA PRO A 49 -2.786 -10.333 -11.272 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.825 -11.613 -9.037 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.319 -12.148 -9.754 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.749 -10.375 -7.357 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.605 -11.686 -7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.853 -9.082 -7.825 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.087 -10.353 -8.757 1.00 0.00 H new ATOM 730 N TYR A 50 -3.986 -8.073 -9.507 1.00 0.00 N ATOM 731 CA TYR A 50 -5.142 -7.214 -9.286 1.00 0.00 C ATOM 732 C TYR A 50 -5.334 -6.247 -10.450 1.00 0.00 C ATOM 733 O TYR A 50 -6.459 -5.952 -10.849 1.00 0.00 O ATOM 734 CB TYR A 50 -4.982 -6.433 -7.980 1.00 0.00 C ATOM 735 CG TYR A 50 -5.057 -7.299 -6.744 1.00 0.00 C ATOM 736 CD1 TYR A 50 -3.935 -7.967 -6.270 1.00 0.00 C ATOM 737 CD2 TYR A 50 -6.250 -7.449 -6.047 1.00 0.00 C ATOM 738 CE1 TYR A 50 -3.999 -8.761 -5.141 1.00 0.00 C ATOM 739 CE2 TYR A 50 -6.324 -8.239 -4.917 1.00 0.00 C ATOM 740 CZ TYR A 50 -5.195 -8.893 -4.467 1.00 0.00 C ATOM 741 OH TYR A 50 -5.264 -9.681 -3.341 1.00 0.00 O ATOM 0 H TYR A 50 -3.096 -7.664 -9.221 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.025 -7.849 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.024 -5.914 -7.992 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.758 -5.669 -7.926 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -2.996 -7.864 -6.793 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.135 -6.938 -6.396 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.117 -9.275 -4.788 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.260 -8.345 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.177 -9.665 -2.986 1.00 0.00 H new ATOM 751 N GLY A 51 -4.223 -5.755 -10.992 1.00 0.00 N ATOM 752 CA GLY A 51 -4.288 -4.827 -12.105 1.00 0.00 C ATOM 753 C GLY A 51 -2.915 -4.407 -12.591 1.00 0.00 C ATOM 754 O GLY A 51 -1.913 -4.624 -11.908 1.00 0.00 O ATOM 0 H GLY A 51 -3.279 -5.983 -10.679 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.836 -5.288 -12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.850 -3.943 -11.804 1.00 0.00 H new ATOM 758 N LYS A 52 -2.866 -3.809 -13.775 1.00 0.00 N ATOM 759 CA LYS A 52 -1.606 -3.357 -14.354 1.00 0.00 C ATOM 760 C LYS A 52 -1.026 -2.193 -13.557 1.00 0.00 C ATOM 761 O LYS A 52 -1.644 -1.134 -13.452 1.00 0.00 O ATOM 762 CB LYS A 52 -1.810 -2.940 -15.812 1.00 0.00 C ATOM 763 CG LYS A 52 -1.489 -4.038 -16.810 1.00 0.00 C ATOM 764 CD LYS A 52 -0.882 -3.474 -18.084 1.00 0.00 C ATOM 765 CE LYS A 52 -1.846 -3.582 -19.256 1.00 0.00 C ATOM 766 NZ LYS A 52 -1.217 -3.146 -20.534 1.00 0.00 N ATOM 0 H LYS A 52 -3.685 -3.625 -14.354 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.900 -4.187 -14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.845 -2.627 -15.950 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.184 -2.074 -16.024 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.796 -4.749 -16.360 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.398 -4.588 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.612 -2.429 -17.928 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.038 -4.009 -18.318 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.187 -4.613 -19.352 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.728 -2.972 -19.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -1.906 -3.235 -21.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.915 -2.154 -20.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.391 -3.744 -20.736 1.00 0.00 H new ATOM 780 N ILE A 53 0.162 -2.397 -12.999 1.00 0.00 N ATOM 781 CA ILE A 53 0.824 -1.363 -12.213 1.00 0.00 C ATOM 782 C ILE A 53 1.316 -0.226 -13.104 1.00 0.00 C ATOM 783 O ILE A 53 2.418 -0.281 -13.649 1.00 0.00 O ATOM 784 CB ILE A 53 2.017 -1.933 -11.424 1.00 0.00 C ATOM 785 CG1 ILE A 53 1.559 -3.085 -10.527 1.00 0.00 C ATOM 786 CG2 ILE A 53 2.676 -0.839 -10.597 1.00 0.00 C ATOM 787 CD1 ILE A 53 2.530 -4.244 -10.488 1.00 0.00 C ATOM 0 H ILE A 53 0.686 -3.269 -13.076 1.00 0.00 H new ATOM 0 HA ILE A 53 0.084 -0.978 -11.511 1.00 0.00 H new ATOM 0 HB ILE A 53 2.751 -2.318 -12.131 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.413 -2.710 -9.514 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.591 -3.444 -10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 53 3.518 -1.257 -10.045 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.032 -0.048 -11.257 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.951 -0.427 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.140 -5.023 -9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.658 -4.645 -11.493 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.492 -3.900 -10.110 1.00 0.00 H new ATOM 799 N LYS A 54 0.489 0.805 -13.247 1.00 0.00 N ATOM 800 CA LYS A 54 0.839 1.958 -14.069 1.00 0.00 C ATOM 801 C LYS A 54 1.901 2.812 -13.383 1.00 0.00 C ATOM 802 O LYS A 54 2.597 3.592 -14.032 1.00 0.00 O ATOM 803 CB LYS A 54 -0.404 2.802 -14.353 1.00 0.00 C ATOM 804 CG LYS A 54 -0.774 2.863 -15.824 1.00 0.00 C ATOM 805 CD LYS A 54 -1.715 1.734 -16.211 1.00 0.00 C ATOM 806 CE LYS A 54 -0.996 0.660 -17.012 1.00 0.00 C ATOM 807 NZ LYS A 54 -0.698 1.108 -18.400 1.00 0.00 N ATOM 0 H LYS A 54 -0.428 0.865 -12.804 1.00 0.00 H new ATOM 0 HA LYS A 54 1.246 1.592 -15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.245 2.395 -13.792 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.237 3.815 -13.987 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.245 3.821 -16.042 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.130 2.808 -16.430 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.145 1.292 -15.312 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.543 2.133 -16.797 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.066 0.394 -16.509 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.610 -0.240 -17.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.348 0.303 -18.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.564 1.482 -18.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.027 1.853 -18.376 1.00 0.00 H new ATOM 821 N ASN A 55 2.021 2.658 -12.068 1.00 0.00 N ATOM 822 CA ASN A 55 2.999 3.415 -11.296 1.00 0.00 C ATOM 823 C ASN A 55 3.051 2.922 -9.853 1.00 0.00 C ATOM 824 O ASN A 55 2.046 2.472 -9.303 1.00 0.00 O ATOM 825 CB ASN A 55 2.659 4.906 -11.325 1.00 0.00 C ATOM 826 CG ASN A 55 3.867 5.768 -11.642 1.00 0.00 C ATOM 827 OD1 ASN A 55 3.958 6.356 -12.720 1.00 0.00 O ATOM 828 ND2 ASN A 55 4.801 5.845 -10.702 1.00 0.00 N ATOM 0 H ASN A 55 1.453 2.016 -11.515 1.00 0.00 H new ATOM 0 HA ASN A 55 3.979 3.264 -11.749 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.883 5.085 -12.069 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.248 5.201 -10.359 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.637 6.409 -10.858 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.683 5.340 -9.823 1.00 0.00 H new ATOM 835 N TYR A 56 4.229 3.012 -9.245 1.00 0.00 N ATOM 836 CA TYR A 56 4.413 2.573 -7.867 1.00 0.00 C ATOM 837 C TYR A 56 5.424 3.459 -7.145 1.00 0.00 C ATOM 838 O TYR A 56 6.171 4.210 -7.774 1.00 0.00 O ATOM 839 CB TYR A 56 4.878 1.117 -7.830 1.00 0.00 C ATOM 840 CG TYR A 56 6.360 0.947 -8.076 1.00 0.00 C ATOM 841 CD1 TYR A 56 6.875 0.952 -9.366 1.00 0.00 C ATOM 842 CD2 TYR A 56 7.245 0.781 -7.018 1.00 0.00 C ATOM 843 CE1 TYR A 56 8.229 0.797 -9.595 1.00 0.00 C ATOM 844 CE2 TYR A 56 8.600 0.627 -7.237 1.00 0.00 C ATOM 845 CZ TYR A 56 9.087 0.635 -8.528 1.00 0.00 C ATOM 846 OH TYR A 56 10.436 0.479 -8.751 1.00 0.00 O ATOM 0 H TYR A 56 5.070 3.385 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 56 3.454 2.654 -7.356 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.628 0.689 -6.859 1.00 0.00 H new ATOM 0 HB3 TYR A 56 4.327 0.549 -8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.206 1.079 -10.204 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.867 0.772 -6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.613 0.803 -10.604 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.274 0.501 -6.403 1.00 0.00 H new ATOM 0 HH TYR A 56 10.900 0.378 -7.894 1.00 0.00 H new ATOM 856 N ILE A 57 5.442 3.366 -5.819 1.00 0.00 N ATOM 857 CA ILE A 57 6.362 4.156 -5.010 1.00 0.00 C ATOM 858 C ILE A 57 6.818 3.381 -3.779 1.00 0.00 C ATOM 859 O ILE A 57 6.009 3.030 -2.919 1.00 0.00 O ATOM 860 CB ILE A 57 5.717 5.481 -4.559 1.00 0.00 C ATOM 861 CG1 ILE A 57 5.708 6.487 -5.712 1.00 0.00 C ATOM 862 CG2 ILE A 57 6.461 6.049 -3.359 1.00 0.00 C ATOM 863 CD1 ILE A 57 7.031 7.194 -5.908 1.00 0.00 C ATOM 0 H ILE A 57 4.830 2.751 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 57 7.226 4.375 -5.638 1.00 0.00 H new ATOM 0 HB ILE A 57 4.686 5.286 -4.264 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.442 5.969 -6.633 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.932 7.230 -5.529 1.00 0.00 H new ATOM 0 HG21 ILE A 57 5.995 6.985 -3.051 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.422 5.336 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.501 6.234 -3.630 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.951 7.892 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 57 7.289 7.741 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 57 7.808 6.460 -6.123 1.00 0.00 H new ATOM 875 N LEU A 58 8.118 3.117 -3.701 1.00 0.00 N ATOM 876 CA LEU A 58 8.683 2.384 -2.575 1.00 0.00 C ATOM 877 C LEU A 58 9.406 3.328 -1.619 1.00 0.00 C ATOM 878 O LEU A 58 10.554 3.705 -1.854 1.00 0.00 O ATOM 879 CB LEU A 58 9.648 1.307 -3.074 1.00 0.00 C ATOM 880 CG LEU A 58 9.234 -0.141 -2.808 1.00 0.00 C ATOM 881 CD1 LEU A 58 9.006 -0.366 -1.322 1.00 0.00 C ATOM 882 CD2 LEU A 58 7.985 -0.493 -3.602 1.00 0.00 C ATOM 0 H LEU A 58 8.800 3.400 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 58 7.864 1.907 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.779 1.435 -4.149 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.620 1.477 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 58 10.042 -0.796 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.712 -1.402 -1.152 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.926 -0.156 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.216 0.298 -0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.705 -1.527 -3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.169 0.168 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.185 -0.372 -4.667 1.00 0.00 H new ATOM 894 N MET A 59 8.727 3.703 -0.540 1.00 0.00 N ATOM 895 CA MET A 59 9.306 4.600 0.454 1.00 0.00 C ATOM 896 C MET A 59 9.900 3.812 1.617 1.00 0.00 C ATOM 897 O MET A 59 9.194 3.068 2.299 1.00 0.00 O ATOM 898 CB MET A 59 8.248 5.575 0.970 1.00 0.00 C ATOM 899 CG MET A 59 7.642 6.447 -0.118 1.00 0.00 C ATOM 900 SD MET A 59 6.848 7.927 0.538 1.00 0.00 S ATOM 901 CE MET A 59 5.677 8.291 -0.766 1.00 0.00 C ATOM 0 H MET A 59 7.776 3.400 -0.331 1.00 0.00 H new ATOM 0 HA MET A 59 10.106 5.165 -0.025 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.453 5.011 1.457 1.00 0.00 H new ATOM 0 HB3 MET A 59 8.696 6.215 1.730 1.00 0.00 H new ATOM 0 HG2 MET A 59 8.423 6.739 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.910 5.865 -0.679 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.948 9.018 -0.408 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.206 8.701 -1.626 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.163 7.376 -1.059 1.00 0.00 H new ATOM 911 N ARG A 60 11.199 3.979 1.838 1.00 0.00 N ATOM 912 CA ARG A 60 11.887 3.282 2.918 1.00 0.00 C ATOM 913 C ARG A 60 11.925 4.140 4.180 1.00 0.00 C ATOM 914 O ARG A 60 12.206 3.643 5.270 1.00 0.00 O ATOM 915 CB ARG A 60 13.310 2.918 2.493 1.00 0.00 C ATOM 916 CG ARG A 60 13.377 1.746 1.528 1.00 0.00 C ATOM 917 CD ARG A 60 14.198 2.086 0.293 1.00 0.00 C ATOM 918 NE ARG A 60 14.960 0.939 -0.191 1.00 0.00 N ATOM 919 CZ ARG A 60 14.423 -0.064 -0.876 1.00 0.00 C ATOM 920 NH1 ARG A 60 13.127 -0.060 -1.157 1.00 0.00 N ATOM 921 NH2 ARG A 60 15.183 -1.073 -1.283 1.00 0.00 N ATOM 0 H ARG A 60 11.797 4.591 1.283 1.00 0.00 H new ATOM 0 HA ARG A 60 11.336 2.368 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.775 3.787 2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 60 13.896 2.680 3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.815 0.884 2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.368 1.462 1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 60 13.535 2.440 -0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.881 2.903 0.526 1.00 0.00 H new ATOM 0 HE ARG A 60 15.960 0.906 0.008 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.540 0.715 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 60 12.717 -0.832 -1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 60 16.180 -1.079 -1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.770 -1.843 -1.809 1.00 0.00 H new ATOM 935 N MET A 61 11.641 5.428 4.023 1.00 0.00 N ATOM 936 CA MET A 61 11.642 6.353 5.150 1.00 0.00 C ATOM 937 C MET A 61 10.605 5.943 6.191 1.00 0.00 C ATOM 938 O MET A 61 10.947 5.620 7.329 1.00 0.00 O ATOM 939 CB MET A 61 11.361 7.778 4.668 1.00 0.00 C ATOM 940 CG MET A 61 12.046 8.848 5.503 1.00 0.00 C ATOM 941 SD MET A 61 13.391 9.663 4.620 1.00 0.00 S ATOM 942 CE MET A 61 14.484 8.277 4.315 1.00 0.00 C ATOM 0 H MET A 61 11.407 5.855 3.127 1.00 0.00 H new ATOM 0 HA MET A 61 12.628 6.321 5.613 1.00 0.00 H new ATOM 0 HB2 MET A 61 11.687 7.873 3.632 1.00 0.00 H new ATOM 0 HB3 MET A 61 10.285 7.952 4.681 1.00 0.00 H new ATOM 0 HG2 MET A 61 11.311 9.594 5.805 1.00 0.00 H new ATOM 0 HG3 MET A 61 12.436 8.397 6.415 1.00 0.00 H new ATOM 0 HE1 MET A 61 15.419 8.638 3.887 1.00 0.00 H new ATOM 0 HE2 MET A 61 14.690 7.762 5.254 1.00 0.00 H new ATOM 0 HE3 MET A 61 14.009 7.586 3.619 1.00 0.00 H new ATOM 952 N LYS A 62 9.338 5.958 5.795 1.00 0.00 N ATOM 953 CA LYS A 62 8.250 5.586 6.693 1.00 0.00 C ATOM 954 C LYS A 62 7.718 4.197 6.358 1.00 0.00 C ATOM 955 O LYS A 62 6.536 3.912 6.547 1.00 0.00 O ATOM 956 CB LYS A 62 7.117 6.612 6.608 1.00 0.00 C ATOM 957 CG LYS A 62 6.965 7.455 7.862 1.00 0.00 C ATOM 958 CD LYS A 62 6.788 8.926 7.527 1.00 0.00 C ATOM 959 CE LYS A 62 5.319 9.290 7.372 1.00 0.00 C ATOM 960 NZ LYS A 62 4.985 9.663 5.970 1.00 0.00 N ATOM 0 H LYS A 62 9.038 6.224 4.857 1.00 0.00 H new ATOM 0 HA LYS A 62 8.642 5.570 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.297 7.270 5.758 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.180 6.091 6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.106 7.105 8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.843 7.328 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.234 9.535 8.313 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.320 9.157 6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.701 8.446 7.680 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.079 10.120 8.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.975 9.904 5.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.556 10.484 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.190 8.862 5.339 1.00 0.00 H new ATOM 974 N SER A 63 8.600 3.334 5.861 1.00 0.00 N ATOM 975 CA SER A 63 8.217 1.975 5.497 1.00 0.00 C ATOM 976 C SER A 63 6.854 1.959 4.812 1.00 0.00 C ATOM 977 O SER A 63 6.019 1.098 5.089 1.00 0.00 O ATOM 978 CB SER A 63 8.188 1.082 6.738 1.00 0.00 C ATOM 979 OG SER A 63 9.497 0.843 7.227 1.00 0.00 O ATOM 0 H SER A 63 9.584 3.552 5.702 1.00 0.00 H new ATOM 0 HA SER A 63 8.959 1.589 4.798 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.587 1.554 7.515 1.00 0.00 H new ATOM 0 HB3 SER A 63 7.708 0.134 6.496 1.00 0.00 H new ATOM 0 HG SER A 63 9.450 0.271 8.021 1.00 0.00 H new ATOM 985 N GLN A 64 6.637 2.917 3.917 1.00 0.00 N ATOM 986 CA GLN A 64 5.376 3.013 3.192 1.00 0.00 C ATOM 987 C GLN A 64 5.597 2.869 1.691 1.00 0.00 C ATOM 988 O GLN A 64 6.732 2.901 1.215 1.00 0.00 O ATOM 989 CB GLN A 64 4.691 4.348 3.493 1.00 0.00 C ATOM 990 CG GLN A 64 4.057 4.409 4.873 1.00 0.00 C ATOM 991 CD GLN A 64 2.759 5.195 4.884 1.00 0.00 C ATOM 992 OE1 GLN A 64 2.555 6.088 4.063 1.00 0.00 O ATOM 993 NE2 GLN A 64 1.875 4.864 5.818 1.00 0.00 N ATOM 0 H GLN A 64 7.318 3.637 3.677 1.00 0.00 H new ATOM 0 HA GLN A 64 4.733 2.199 3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.423 5.151 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.923 4.531 2.741 1.00 0.00 H new ATOM 0 HG2 GLN A 64 3.867 3.396 5.227 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.759 4.864 5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 64 2.087 4.116 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 64 0.984 5.358 5.875 1.00 0.00 H new ATOM 1002 N ALA A 65 4.507 2.710 0.949 1.00 0.00 N ATOM 1003 CA ALA A 65 4.581 2.562 -0.499 1.00 0.00 C ATOM 1004 C ALA A 65 3.210 2.741 -1.142 1.00 0.00 C ATOM 1005 O ALA A 65 2.183 2.458 -0.524 1.00 0.00 O ATOM 1006 CB ALA A 65 5.163 1.203 -0.861 1.00 0.00 C ATOM 0 H ALA A 65 3.560 2.680 1.327 1.00 0.00 H new ATOM 0 HA ALA A 65 5.238 3.342 -0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.213 1.106 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.165 1.113 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.528 0.415 -0.455 1.00 0.00 H new ATOM 1012 N PHE A 66 3.201 3.213 -2.384 1.00 0.00 N ATOM 1013 CA PHE A 66 1.955 3.431 -3.109 1.00 0.00 C ATOM 1014 C PHE A 66 1.954 2.667 -4.431 1.00 0.00 C ATOM 1015 O PHE A 66 2.998 2.495 -5.060 1.00 0.00 O ATOM 1016 CB PHE A 66 1.747 4.924 -3.371 1.00 0.00 C ATOM 1017 CG PHE A 66 1.544 5.729 -2.118 1.00 0.00 C ATOM 1018 CD1 PHE A 66 0.390 5.584 -1.367 1.00 0.00 C ATOM 1019 CD2 PHE A 66 2.508 6.631 -1.696 1.00 0.00 C ATOM 1020 CE1 PHE A 66 0.200 6.324 -0.213 1.00 0.00 C ATOM 1021 CE2 PHE A 66 2.323 7.371 -0.543 1.00 0.00 C ATOM 1022 CZ PHE A 66 1.168 7.219 0.198 1.00 0.00 C ATOM 0 H PHE A 66 4.042 3.452 -2.909 1.00 0.00 H new ATOM 0 HA PHE A 66 1.136 3.059 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.611 5.315 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.882 5.054 -4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.370 4.886 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.412 6.757 -2.273 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -0.704 6.202 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.082 8.068 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.022 7.799 1.097 1.00 0.00 H new ATOM 1032 N ILE A 67 0.776 2.212 -4.843 1.00 0.00 N ATOM 1033 CA ILE A 67 0.638 1.468 -6.088 1.00 0.00 C ATOM 1034 C ILE A 67 -0.621 1.883 -6.841 1.00 0.00 C ATOM 1035 O ILE A 67 -1.732 1.520 -6.458 1.00 0.00 O ATOM 1036 CB ILE A 67 0.593 -0.051 -5.834 1.00 0.00 C ATOM 1037 CG1 ILE A 67 1.894 -0.519 -5.179 1.00 0.00 C ATOM 1038 CG2 ILE A 67 0.351 -0.798 -7.138 1.00 0.00 C ATOM 1039 CD1 ILE A 67 1.879 -1.979 -4.783 1.00 0.00 C ATOM 0 H ILE A 67 -0.097 2.346 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 67 1.514 1.702 -6.693 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.232 -0.268 -5.155 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.721 -0.346 -5.868 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.084 0.088 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.322 -1.870 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.599 -0.481 -7.568 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.157 -0.578 -7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.833 -2.242 -4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.074 -2.154 -4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.720 -2.595 -5.668 1.00 0.00 H new ATOM 1051 N GLU A 68 -0.437 2.645 -7.915 1.00 0.00 N ATOM 1052 CA GLU A 68 -1.559 3.110 -8.722 1.00 0.00 C ATOM 1053 C GLU A 68 -1.977 2.047 -9.735 1.00 0.00 C ATOM 1054 O GLU A 68 -1.302 1.834 -10.741 1.00 0.00 O ATOM 1055 CB GLU A 68 -1.192 4.405 -9.449 1.00 0.00 C ATOM 1056 CG GLU A 68 -2.222 4.838 -10.478 1.00 0.00 C ATOM 1057 CD GLU A 68 -1.701 5.920 -11.405 1.00 0.00 C ATOM 1058 OE1 GLU A 68 -0.869 6.735 -10.956 1.00 0.00 O ATOM 1059 OE2 GLU A 68 -2.126 5.951 -12.579 1.00 0.00 O ATOM 0 H GLU A 68 0.477 2.953 -8.246 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.399 3.302 -8.054 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.067 5.201 -8.715 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.230 4.274 -9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.526 3.974 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.112 5.202 -9.965 1.00 0.00 H new ATOM 1066 N MET A 69 -3.095 1.383 -9.460 1.00 0.00 N ATOM 1067 CA MET A 69 -3.604 0.343 -10.346 1.00 0.00 C ATOM 1068 C MET A 69 -3.980 0.924 -11.706 1.00 0.00 C ATOM 1069 O MET A 69 -4.135 2.135 -11.851 1.00 0.00 O ATOM 1070 CB MET A 69 -4.818 -0.344 -9.718 1.00 0.00 C ATOM 1071 CG MET A 69 -4.557 -0.882 -8.320 1.00 0.00 C ATOM 1072 SD MET A 69 -2.991 -1.767 -8.199 1.00 0.00 S ATOM 1073 CE MET A 69 -3.341 -3.213 -9.196 1.00 0.00 C ATOM 0 H MET A 69 -3.666 1.547 -8.631 1.00 0.00 H new ATOM 0 HA MET A 69 -2.814 -0.394 -10.491 1.00 0.00 H new ATOM 0 HB2 MET A 69 -5.645 0.365 -9.677 1.00 0.00 H new ATOM 0 HB3 MET A 69 -5.133 -1.165 -10.361 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.558 -0.055 -7.610 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.370 -1.549 -8.034 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.445 -4.084 -8.549 1.00 0.00 H new ATOM 0 HE2 MET A 69 -4.268 -3.058 -9.749 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.523 -3.378 -9.898 1.00 0.00 H new ATOM 1083 N GLU A 70 -4.124 0.051 -12.698 1.00 0.00 N ATOM 1084 CA GLU A 70 -4.481 0.478 -14.045 1.00 0.00 C ATOM 1085 C GLU A 70 -5.943 0.912 -14.109 1.00 0.00 C ATOM 1086 O GLU A 70 -6.313 1.773 -14.907 1.00 0.00 O ATOM 1087 CB GLU A 70 -4.228 -0.651 -15.046 1.00 0.00 C ATOM 1088 CG GLU A 70 -4.561 -0.277 -16.482 1.00 0.00 C ATOM 1089 CD GLU A 70 -5.193 -1.422 -17.250 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -4.560 -2.494 -17.342 1.00 0.00 O ATOM 1091 OE2 GLU A 70 -6.320 -1.245 -17.759 1.00 0.00 O ATOM 0 H GLU A 70 -3.999 -0.956 -12.594 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.855 1.331 -14.306 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.180 -0.947 -14.990 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.821 -1.520 -14.759 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.240 0.576 -16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.651 0.039 -16.992 1.00 0.00 H new ATOM 1098 N THR A 71 -6.771 0.306 -13.263 1.00 0.00 N ATOM 1099 CA THR A 71 -8.192 0.626 -13.224 1.00 0.00 C ATOM 1100 C THR A 71 -8.718 0.620 -11.793 1.00 0.00 C ATOM 1101 O THR A 71 -8.315 -0.209 -10.978 1.00 0.00 O ATOM 1102 CB THR A 71 -9.015 -0.367 -14.065 1.00 0.00 C ATOM 1103 OG1 THR A 71 -9.280 -1.552 -13.305 1.00 0.00 O ATOM 1104 CG2 THR A 71 -8.279 -0.734 -15.344 1.00 0.00 C ATOM 0 H THR A 71 -6.481 -0.409 -12.596 1.00 0.00 H new ATOM 0 HA THR A 71 -8.302 1.625 -13.645 1.00 0.00 H new ATOM 0 HB THR A 71 -9.957 0.112 -14.331 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.457 -2.078 -13.221 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.880 -1.436 -15.921 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.105 0.165 -15.935 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.323 -1.194 -15.094 1.00 0.00 H new ATOM 1112 N ARG A 72 -9.620 1.550 -11.495 1.00 0.00 N ATOM 1113 CA ARG A 72 -10.200 1.651 -10.161 1.00 0.00 C ATOM 1114 C ARG A 72 -10.770 0.309 -9.713 1.00 0.00 C ATOM 1115 O ARG A 72 -10.776 -0.008 -8.524 1.00 0.00 O ATOM 1116 CB ARG A 72 -11.297 2.716 -10.140 1.00 0.00 C ATOM 1117 CG ARG A 72 -11.780 3.066 -8.741 1.00 0.00 C ATOM 1118 CD ARG A 72 -12.206 4.522 -8.645 1.00 0.00 C ATOM 1119 NE ARG A 72 -12.936 4.800 -7.412 1.00 0.00 N ATOM 1120 CZ ARG A 72 -14.199 4.437 -7.209 1.00 0.00 C ATOM 1121 NH1 ARG A 72 -14.865 3.786 -8.152 1.00 0.00 N ATOM 1122 NH2 ARG A 72 -14.795 4.726 -6.060 1.00 0.00 N ATOM 0 H ARG A 72 -9.965 2.244 -12.159 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.409 1.939 -9.468 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.924 3.619 -10.623 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.144 2.365 -10.730 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.618 2.423 -8.473 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.985 2.870 -8.021 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.325 5.161 -8.696 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.832 4.773 -9.501 1.00 0.00 H new ATOM 0 HE ARG A 72 -12.451 5.299 -6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.409 3.562 -9.036 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.834 3.509 -7.993 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -14.285 5.227 -5.332 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.764 4.448 -5.904 1.00 0.00 H new ATOM 1136 N GLU A 73 -11.249 -0.476 -10.674 1.00 0.00 N ATOM 1137 CA GLU A 73 -11.823 -1.783 -10.377 1.00 0.00 C ATOM 1138 C GLU A 73 -10.828 -2.654 -9.614 1.00 0.00 C ATOM 1139 O GLU A 73 -11.199 -3.371 -8.686 1.00 0.00 O ATOM 1140 CB GLU A 73 -12.246 -2.484 -11.669 1.00 0.00 C ATOM 1141 CG GLU A 73 -13.738 -2.406 -11.944 1.00 0.00 C ATOM 1142 CD GLU A 73 -14.228 -3.537 -12.826 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -14.555 -4.613 -12.283 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -14.287 -3.347 -14.059 1.00 0.00 O ATOM 0 H GLU A 73 -11.251 -0.229 -11.664 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.702 -1.632 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.707 -2.040 -12.506 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.949 -3.531 -11.618 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.280 -2.427 -10.998 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.966 -1.453 -12.421 1.00 0.00 H new ATOM 1151 N ASP A 74 -9.563 -2.583 -10.013 1.00 0.00 N ATOM 1152 CA ASP A 74 -8.513 -3.363 -9.369 1.00 0.00 C ATOM 1153 C ASP A 74 -8.214 -2.824 -7.973 1.00 0.00 C ATOM 1154 O ASP A 74 -8.479 -3.487 -6.972 1.00 0.00 O ATOM 1155 CB ASP A 74 -7.241 -3.348 -10.218 1.00 0.00 C ATOM 1156 CG ASP A 74 -7.497 -3.777 -11.650 1.00 0.00 C ATOM 1157 OD1 ASP A 74 -8.266 -4.739 -11.853 1.00 0.00 O ATOM 1158 OD2 ASP A 74 -6.926 -3.150 -12.568 1.00 0.00 O ATOM 0 H ASP A 74 -9.240 -1.993 -10.780 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.865 -4.390 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.816 -2.344 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.500 -4.010 -9.770 1.00 0.00 H new ATOM 1163 N ALA A 75 -7.659 -1.618 -7.918 1.00 0.00 N ATOM 1164 CA ALA A 75 -7.325 -0.989 -6.646 1.00 0.00 C ATOM 1165 C ALA A 75 -8.389 -1.279 -5.593 1.00 0.00 C ATOM 1166 O ALA A 75 -8.073 -1.646 -4.462 1.00 0.00 O ATOM 1167 CB ALA A 75 -7.156 0.512 -6.827 1.00 0.00 C ATOM 0 H ALA A 75 -7.431 -1.057 -8.739 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.382 -1.411 -6.298 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.907 0.968 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.354 0.705 -7.540 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.086 0.940 -7.202 1.00 0.00 H new ATOM 1173 N MET A 76 -9.652 -1.111 -5.973 1.00 0.00 N ATOM 1174 CA MET A 76 -10.763 -1.356 -5.061 1.00 0.00 C ATOM 1175 C MET A 76 -10.800 -2.819 -4.630 1.00 0.00 C ATOM 1176 O MET A 76 -11.015 -3.125 -3.457 1.00 0.00 O ATOM 1177 CB MET A 76 -12.088 -0.974 -5.723 1.00 0.00 C ATOM 1178 CG MET A 76 -12.228 0.516 -5.986 1.00 0.00 C ATOM 1179 SD MET A 76 -13.073 1.382 -4.650 1.00 0.00 S ATOM 1180 CE MET A 76 -12.112 2.891 -4.564 1.00 0.00 C ATOM 0 H MET A 76 -9.931 -0.806 -6.906 1.00 0.00 H new ATOM 0 HA MET A 76 -10.616 -0.738 -4.175 1.00 0.00 H new ATOM 0 HB2 MET A 76 -12.182 -1.512 -6.667 1.00 0.00 H new ATOM 0 HB3 MET A 76 -12.910 -1.301 -5.087 1.00 0.00 H new ATOM 0 HG2 MET A 76 -11.238 0.951 -6.126 1.00 0.00 H new ATOM 0 HG3 MET A 76 -12.777 0.667 -6.916 1.00 0.00 H new ATOM 0 HE1 MET A 76 -11.613 2.950 -3.597 1.00 0.00 H new ATOM 0 HE2 MET A 76 -11.366 2.893 -5.358 1.00 0.00 H new ATOM 0 HE3 MET A 76 -12.772 3.750 -4.684 1.00 0.00 H new ATOM 1190 N ALA A 77 -10.591 -3.719 -5.586 1.00 0.00 N ATOM 1191 CA ALA A 77 -10.599 -5.149 -5.304 1.00 0.00 C ATOM 1192 C ALA A 77 -9.516 -5.516 -4.293 1.00 0.00 C ATOM 1193 O ALA A 77 -9.728 -6.357 -3.420 1.00 0.00 O ATOM 1194 CB ALA A 77 -10.414 -5.941 -6.589 1.00 0.00 C ATOM 0 H ALA A 77 -10.414 -3.483 -6.562 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.566 -5.403 -4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -10.422 -7.007 -6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.226 -5.710 -7.279 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.462 -5.674 -7.047 1.00 0.00 H new ATOM 1200 N MET A 78 -8.357 -4.879 -4.418 1.00 0.00 N ATOM 1201 CA MET A 78 -7.242 -5.138 -3.515 1.00 0.00 C ATOM 1202 C MET A 78 -7.598 -4.747 -2.085 1.00 0.00 C ATOM 1203 O MET A 78 -7.664 -5.596 -1.197 1.00 0.00 O ATOM 1204 CB MET A 78 -5.999 -4.371 -3.971 1.00 0.00 C ATOM 1205 CG MET A 78 -4.707 -4.888 -3.360 1.00 0.00 C ATOM 1206 SD MET A 78 -3.261 -3.959 -3.903 1.00 0.00 S ATOM 1207 CE MET A 78 -2.028 -4.541 -2.740 1.00 0.00 C ATOM 0 H MET A 78 -8.165 -4.180 -5.136 1.00 0.00 H new ATOM 0 HA MET A 78 -7.030 -6.207 -3.538 1.00 0.00 H new ATOM 0 HB2 MET A 78 -5.926 -4.427 -5.057 1.00 0.00 H new ATOM 0 HB3 MET A 78 -6.117 -3.318 -3.714 1.00 0.00 H new ATOM 0 HG2 MET A 78 -4.778 -4.839 -2.273 1.00 0.00 H new ATOM 0 HG3 MET A 78 -4.580 -5.938 -3.624 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.063 -4.619 -3.241 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.950 -3.839 -1.910 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.319 -5.520 -2.360 1.00 0.00 H new ATOM 1217 N VAL A 79 -7.827 -3.454 -1.869 1.00 0.00 N ATOM 1218 CA VAL A 79 -8.178 -2.951 -0.546 1.00 0.00 C ATOM 1219 C VAL A 79 -9.328 -3.749 0.058 1.00 0.00 C ATOM 1220 O VAL A 79 -9.462 -3.836 1.279 1.00 0.00 O ATOM 1221 CB VAL A 79 -8.571 -1.463 -0.598 1.00 0.00 C ATOM 1222 CG1 VAL A 79 -7.509 -0.656 -1.332 1.00 0.00 C ATOM 1223 CG2 VAL A 79 -9.930 -1.294 -1.258 1.00 0.00 C ATOM 0 H VAL A 79 -7.776 -2.737 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.293 -3.064 0.081 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.639 -1.087 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.803 0.393 -1.359 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.555 -0.752 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.407 -1.031 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -10.192 -0.236 -1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.892 -1.686 -2.274 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.682 -1.839 -0.687 1.00 0.00 H new ATOM 1233 N ASP A 80 -10.155 -4.329 -0.804 1.00 0.00 N ATOM 1234 CA ASP A 80 -11.295 -5.120 -0.356 1.00 0.00 C ATOM 1235 C ASP A 80 -10.842 -6.488 0.147 1.00 0.00 C ATOM 1236 O ASP A 80 -11.207 -6.909 1.245 1.00 0.00 O ATOM 1237 CB ASP A 80 -12.305 -5.290 -1.492 1.00 0.00 C ATOM 1238 CG ASP A 80 -13.703 -5.584 -0.985 1.00 0.00 C ATOM 1239 OD1 ASP A 80 -14.102 -4.984 0.035 1.00 0.00 O ATOM 1240 OD2 ASP A 80 -14.397 -6.415 -1.607 1.00 0.00 O ATOM 0 H ASP A 80 -10.057 -4.266 -1.817 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.773 -4.589 0.467 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.324 -4.383 -2.096 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.980 -6.101 -2.144 1.00 0.00 H new ATOM 1245 N HIS A 81 -10.045 -7.176 -0.665 1.00 0.00 N ATOM 1246 CA HIS A 81 -9.543 -8.498 -0.303 1.00 0.00 C ATOM 1247 C HIS A 81 -8.824 -8.455 1.043 1.00 0.00 C ATOM 1248 O HIS A 81 -8.608 -9.490 1.674 1.00 0.00 O ATOM 1249 CB HIS A 81 -8.596 -9.019 -1.383 1.00 0.00 C ATOM 1250 CG HIS A 81 -8.618 -10.510 -1.530 1.00 0.00 C ATOM 1251 ND1 HIS A 81 -8.261 -11.372 -0.514 1.00 0.00 N ATOM 1252 CD2 HIS A 81 -8.960 -11.291 -2.582 1.00 0.00 C ATOM 1253 CE1 HIS A 81 -8.380 -12.619 -0.935 1.00 0.00 C ATOM 1254 NE2 HIS A 81 -8.803 -12.597 -2.186 1.00 0.00 N ATOM 0 H HIS A 81 -9.733 -6.841 -1.577 1.00 0.00 H new ATOM 0 HA HIS A 81 -10.394 -9.174 -0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.861 -8.564 -2.337 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.580 -8.700 -1.149 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -7.953 -11.091 0.417 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -9.294 -10.951 -3.551 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -8.168 -13.505 -0.355 1.00 0.00 H new ATOM 1262 N CYS A 82 -8.458 -7.254 1.475 1.00 0.00 N ATOM 1263 CA CYS A 82 -7.762 -7.077 2.745 1.00 0.00 C ATOM 1264 C CYS A 82 -8.756 -6.933 3.893 1.00 0.00 C ATOM 1265 O CYS A 82 -8.439 -7.239 5.043 1.00 0.00 O ATOM 1266 CB CYS A 82 -6.851 -5.851 2.685 1.00 0.00 C ATOM 1267 SG CYS A 82 -6.283 -5.273 4.301 1.00 0.00 S ATOM 0 H CYS A 82 -8.631 -6.388 0.965 1.00 0.00 H new ATOM 0 HA CYS A 82 -7.153 -7.963 2.925 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.983 -6.087 2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -7.383 -5.040 2.188 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.918 -5.912 5.238 1.00 0.00 H new ATOM 1273 N LEU A 83 -9.956 -6.463 3.574 1.00 0.00 N ATOM 1274 CA LEU A 83 -10.997 -6.277 4.580 1.00 0.00 C ATOM 1275 C LEU A 83 -11.502 -7.619 5.097 1.00 0.00 C ATOM 1276 O LEU A 83 -11.626 -7.826 6.305 1.00 0.00 O ATOM 1277 CB LEU A 83 -12.159 -5.472 3.996 1.00 0.00 C ATOM 1278 CG LEU A 83 -11.847 -4.027 3.606 1.00 0.00 C ATOM 1279 CD1 LEU A 83 -12.772 -3.563 2.492 1.00 0.00 C ATOM 1280 CD2 LEU A 83 -11.966 -3.112 4.816 1.00 0.00 C ATOM 0 H LEU A 83 -10.233 -6.204 2.627 1.00 0.00 H new ATOM 0 HA LEU A 83 -10.565 -5.727 5.416 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.528 -5.994 3.113 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -12.970 -5.463 4.724 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.821 -3.982 3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -12.535 -2.532 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.638 -4.201 1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.807 -3.622 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.741 -2.087 4.521 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.981 -3.161 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.262 -3.431 5.584 1.00 0.00 H new ATOM 1292 N LYS A 84 -11.789 -8.532 4.175 1.00 0.00 N ATOM 1293 CA LYS A 84 -12.278 -9.858 4.537 1.00 0.00 C ATOM 1294 C LYS A 84 -11.147 -10.724 5.084 1.00 0.00 C ATOM 1295 O LYS A 84 -11.305 -11.402 6.099 1.00 0.00 O ATOM 1296 CB LYS A 84 -12.913 -10.539 3.322 1.00 0.00 C ATOM 1297 CG LYS A 84 -14.021 -9.722 2.678 1.00 0.00 C ATOM 1298 CD LYS A 84 -13.564 -9.096 1.372 1.00 0.00 C ATOM 1299 CE LYS A 84 -13.909 -9.976 0.180 1.00 0.00 C ATOM 1300 NZ LYS A 84 -12.692 -10.547 -0.459 1.00 0.00 N ATOM 0 H LYS A 84 -11.691 -8.378 3.171 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.032 -9.740 5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.139 -10.735 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.315 -11.505 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.885 -10.360 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.343 -8.939 3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.033 -8.119 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -12.487 -8.931 1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -14.563 -10.786 0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.464 -9.392 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.955 -11.379 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -12.256 -9.832 -1.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -12.013 -10.829 0.277 1.00 0.00 H new ATOM 1314 N LYS A 85 -10.004 -10.696 4.405 1.00 0.00 N ATOM 1315 CA LYS A 85 -8.846 -11.475 4.824 1.00 0.00 C ATOM 1316 C LYS A 85 -7.652 -10.568 5.101 1.00 0.00 C ATOM 1317 O LYS A 85 -7.473 -9.542 4.444 1.00 0.00 O ATOM 1318 CB LYS A 85 -8.481 -12.502 3.750 1.00 0.00 C ATOM 1319 CG LYS A 85 -7.304 -13.384 4.126 1.00 0.00 C ATOM 1320 CD LYS A 85 -7.587 -14.847 3.834 1.00 0.00 C ATOM 1321 CE LYS A 85 -6.377 -15.721 4.130 1.00 0.00 C ATOM 1322 NZ LYS A 85 -6.146 -16.730 3.061 1.00 0.00 N ATOM 0 H LYS A 85 -9.856 -10.141 3.562 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.105 -11.997 5.745 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.348 -13.132 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.250 -11.978 2.822 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.419 -13.067 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.080 -13.260 5.185 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -8.434 -15.181 4.434 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.872 -14.961 2.788 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.492 -15.093 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.521 -16.229 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.313 -17.305 3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.980 -17.346 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.983 -16.245 2.155 1.00 0.00 H new ATOM 1336 N ALA A 86 -6.836 -10.953 6.077 1.00 0.00 N ATOM 1337 CA ALA A 86 -5.656 -10.177 6.438 1.00 0.00 C ATOM 1338 C ALA A 86 -4.532 -10.383 5.428 1.00 0.00 C ATOM 1339 O ALA A 86 -4.033 -11.496 5.259 1.00 0.00 O ATOM 1340 CB ALA A 86 -5.187 -10.549 7.837 1.00 0.00 C ATOM 0 H ALA A 86 -6.971 -11.798 6.632 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.929 -9.122 6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.305 -9.962 8.093 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.982 -10.342 8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.938 -11.610 7.867 1.00 0.00 H new ATOM 1346 N LEU A 87 -4.138 -9.304 4.760 1.00 0.00 N ATOM 1347 CA LEU A 87 -3.073 -9.368 3.766 1.00 0.00 C ATOM 1348 C LEU A 87 -1.703 -9.367 4.435 1.00 0.00 C ATOM 1349 O LEU A 87 -1.285 -8.366 5.016 1.00 0.00 O ATOM 1350 CB LEU A 87 -3.181 -8.188 2.798 1.00 0.00 C ATOM 1351 CG LEU A 87 -2.808 -8.476 1.344 1.00 0.00 C ATOM 1352 CD1 LEU A 87 -3.701 -7.689 0.397 1.00 0.00 C ATOM 1353 CD2 LEU A 87 -1.342 -8.148 1.094 1.00 0.00 C ATOM 0 H LEU A 87 -4.540 -8.375 4.889 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.184 -10.299 3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.205 -7.817 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.542 -7.384 3.164 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.960 -9.539 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.420 -7.907 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.741 -7.973 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.582 -6.622 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.094 -8.359 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.165 -7.093 1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.716 -8.757 1.747 1.00 0.00 H new ATOM 1365 N TRP A 88 -1.008 -10.496 4.349 1.00 0.00 N ATOM 1366 CA TRP A 88 0.318 -10.624 4.944 1.00 0.00 C ATOM 1367 C TRP A 88 1.404 -10.549 3.877 1.00 0.00 C ATOM 1368 O TRP A 88 1.242 -11.071 2.774 1.00 0.00 O ATOM 1369 CB TRP A 88 0.429 -11.945 5.709 1.00 0.00 C ATOM 1370 CG TRP A 88 -0.195 -11.896 7.072 1.00 0.00 C ATOM 1371 CD1 TRP A 88 -1.441 -12.331 7.418 1.00 0.00 C ATOM 1372 CD2 TRP A 88 0.400 -11.381 8.267 1.00 0.00 C ATOM 1373 NE1 TRP A 88 -1.659 -12.118 8.758 1.00 0.00 N ATOM 1374 CE2 TRP A 88 -0.544 -11.536 9.302 1.00 0.00 C ATOM 1375 CE3 TRP A 88 1.638 -10.805 8.567 1.00 0.00 C ATOM 1376 CZ2 TRP A 88 -0.287 -11.136 10.610 1.00 0.00 C ATOM 1377 CZ3 TRP A 88 1.891 -10.408 9.866 1.00 0.00 C ATOM 1378 CH2 TRP A 88 0.933 -10.576 10.875 1.00 0.00 C ATOM 0 H TRP A 88 -1.340 -11.335 3.874 1.00 0.00 H new ATOM 0 HA TRP A 88 0.459 -9.795 5.638 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -0.047 -12.735 5.127 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.481 -12.212 5.808 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -2.152 -12.777 6.738 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -2.512 -12.355 9.265 1.00 0.00 H new ATOM 0 HE3 TRP A 88 2.384 -10.673 7.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -1.025 -11.263 11.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 2.844 -9.960 10.108 1.00 0.00 H new ATOM 0 HH2 TRP A 88 1.162 -10.257 11.881 1.00 0.00 H new ATOM 1389 N PHE A 89 2.511 -9.894 4.212 1.00 0.00 N ATOM 1390 CA PHE A 89 3.624 -9.750 3.281 1.00 0.00 C ATOM 1391 C PHE A 89 4.961 -9.901 4.003 1.00 0.00 C ATOM 1392 O PHE A 89 5.319 -9.078 4.845 1.00 0.00 O ATOM 1393 CB PHE A 89 3.560 -8.389 2.583 1.00 0.00 C ATOM 1394 CG PHE A 89 4.709 -8.140 1.648 1.00 0.00 C ATOM 1395 CD1 PHE A 89 4.887 -8.929 0.523 1.00 0.00 C ATOM 1396 CD2 PHE A 89 5.611 -7.118 1.895 1.00 0.00 C ATOM 1397 CE1 PHE A 89 5.943 -8.702 -0.340 1.00 0.00 C ATOM 1398 CE2 PHE A 89 6.668 -6.886 1.035 1.00 0.00 C ATOM 1399 CZ PHE A 89 6.835 -7.680 -0.083 1.00 0.00 C ATOM 0 H PHE A 89 2.661 -9.455 5.120 1.00 0.00 H new ATOM 0 HA PHE A 89 3.544 -10.539 2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.626 -8.319 2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.539 -7.603 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.193 -9.731 0.318 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.487 -6.496 2.769 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.070 -9.323 -1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 89 7.363 -6.084 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.662 -7.502 -0.755 1.00 0.00 H new ATOM 1409 N GLN A 90 5.691 -10.960 3.666 1.00 0.00 N ATOM 1410 CA GLN A 90 6.986 -11.220 4.284 1.00 0.00 C ATOM 1411 C GLN A 90 6.871 -11.238 5.804 1.00 0.00 C ATOM 1412 O GLN A 90 7.752 -10.747 6.509 1.00 0.00 O ATOM 1413 CB GLN A 90 8.004 -10.163 3.849 1.00 0.00 C ATOM 1414 CG GLN A 90 8.479 -10.329 2.416 1.00 0.00 C ATOM 1415 CD GLN A 90 9.990 -10.415 2.308 1.00 0.00 C ATOM 1416 OE1 GLN A 90 10.706 -10.196 3.285 1.00 0.00 O ATOM 1417 NE2 GLN A 90 10.481 -10.734 1.117 1.00 0.00 N ATOM 0 H GLN A 90 5.408 -11.650 2.970 1.00 0.00 H new ATOM 0 HA GLN A 90 7.327 -12.201 3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 90 7.560 -9.174 3.963 1.00 0.00 H new ATOM 0 HB3 GLN A 90 8.865 -10.204 4.516 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.036 -11.231 1.993 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.123 -9.489 1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.850 -10.907 0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.490 -10.806 0.984 1.00 0.00 H new ATOM 1426 N GLY A 91 5.778 -11.806 6.304 1.00 0.00 N ATOM 1427 CA GLY A 91 5.568 -11.876 7.738 1.00 0.00 C ATOM 1428 C GLY A 91 5.240 -10.525 8.343 1.00 0.00 C ATOM 1429 O GLY A 91 5.686 -10.207 9.445 1.00 0.00 O ATOM 0 H GLY A 91 5.034 -12.219 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.756 -12.572 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.463 -12.276 8.214 1.00 0.00 H new ATOM 1433 N ARG A 92 4.459 -9.729 7.619 1.00 0.00 N ATOM 1434 CA ARG A 92 4.075 -8.403 8.091 1.00 0.00 C ATOM 1435 C ARG A 92 2.589 -8.151 7.848 1.00 0.00 C ATOM 1436 O ARG A 92 2.003 -8.692 6.910 1.00 0.00 O ATOM 1437 CB ARG A 92 4.907 -7.328 7.389 1.00 0.00 C ATOM 1438 CG ARG A 92 6.396 -7.431 7.673 1.00 0.00 C ATOM 1439 CD ARG A 92 6.793 -6.593 8.880 1.00 0.00 C ATOM 1440 NE ARG A 92 8.236 -6.597 9.099 1.00 0.00 N ATOM 1441 CZ ARG A 92 8.813 -6.146 10.208 1.00 0.00 C ATOM 1442 NH1 ARG A 92 8.071 -5.657 11.192 1.00 0.00 N ATOM 1443 NH2 ARG A 92 10.132 -6.183 10.333 1.00 0.00 N ATOM 0 H ARG A 92 4.080 -9.978 6.705 1.00 0.00 H new ATOM 0 HA ARG A 92 4.264 -8.356 9.163 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.745 -7.399 6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.553 -6.345 7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.663 -8.473 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.958 -7.101 6.799 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.451 -5.568 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 92 6.291 -6.976 9.768 1.00 0.00 H new ATOM 0 HE ARG A 92 8.835 -6.966 8.360 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.056 -5.627 11.098 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.515 -5.311 12.043 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.706 -6.558 9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.573 -5.836 11.185 1.00 0.00 H new ATOM 1457 N CYS A 93 1.988 -7.327 8.699 1.00 0.00 N ATOM 1458 CA CYS A 93 0.571 -7.003 8.579 1.00 0.00 C ATOM 1459 C CYS A 93 0.368 -5.768 7.707 1.00 0.00 C ATOM 1460 O CYS A 93 -0.451 -4.904 8.019 1.00 0.00 O ATOM 1461 CB CYS A 93 -0.039 -6.772 9.962 1.00 0.00 C ATOM 1462 SG CYS A 93 -1.840 -6.609 9.955 1.00 0.00 S ATOM 0 H CYS A 93 2.460 -6.871 9.480 1.00 0.00 H new ATOM 0 HA CYS A 93 0.069 -7.846 8.105 1.00 0.00 H new ATOM 0 HB2 CYS A 93 0.238 -7.601 10.613 1.00 0.00 H new ATOM 0 HB3 CYS A 93 0.395 -5.870 10.393 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.197 -5.781 9.019 1.00 0.00 H new ATOM 1468 N VAL A 94 1.120 -5.692 6.614 1.00 0.00 N ATOM 1469 CA VAL A 94 1.023 -4.562 5.697 1.00 0.00 C ATOM 1470 C VAL A 94 -0.431 -4.173 5.456 1.00 0.00 C ATOM 1471 O VAL A 94 -1.225 -4.972 4.960 1.00 0.00 O ATOM 1472 CB VAL A 94 1.689 -4.878 4.344 1.00 0.00 C ATOM 1473 CG1 VAL A 94 1.075 -6.126 3.726 1.00 0.00 C ATOM 1474 CG2 VAL A 94 1.569 -3.691 3.401 1.00 0.00 C ATOM 0 H VAL A 94 1.803 -6.399 6.342 1.00 0.00 H new ATOM 0 HA VAL A 94 1.546 -3.729 6.166 1.00 0.00 H new ATOM 0 HB VAL A 94 2.748 -5.070 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.557 -6.334 2.771 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.219 -6.973 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.009 -5.966 3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 94 2.045 -3.932 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.516 -3.465 3.233 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.060 -2.824 3.843 1.00 0.00 H new ATOM 1484 N LYS A 95 -0.775 -2.939 5.811 1.00 0.00 N ATOM 1485 CA LYS A 95 -2.133 -2.441 5.633 1.00 0.00 C ATOM 1486 C LYS A 95 -2.315 -1.846 4.240 1.00 0.00 C ATOM 1487 O LYS A 95 -1.514 -1.024 3.796 1.00 0.00 O ATOM 1488 CB LYS A 95 -2.456 -1.389 6.695 1.00 0.00 C ATOM 1489 CG LYS A 95 -3.766 -1.641 7.422 1.00 0.00 C ATOM 1490 CD LYS A 95 -3.591 -2.634 8.559 1.00 0.00 C ATOM 1491 CE LYS A 95 -3.276 -1.930 9.871 1.00 0.00 C ATOM 1492 NZ LYS A 95 -2.011 -2.425 10.478 1.00 0.00 N ATOM 0 H LYS A 95 -0.130 -2.265 6.224 1.00 0.00 H new ATOM 0 HA LYS A 95 -2.819 -3.281 5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.646 -1.360 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.495 -0.408 6.222 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -4.152 -0.700 7.815 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -4.507 -2.020 6.718 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.500 -3.224 8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.787 -3.329 8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -3.199 -0.857 9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -4.098 -2.082 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.833 -1.920 11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -2.093 -3.444 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.222 -2.257 9.822 1.00 0.00 H new ATOM 1506 N VAL A 96 -3.376 -2.263 3.557 1.00 0.00 N ATOM 1507 CA VAL A 96 -3.666 -1.769 2.217 1.00 0.00 C ATOM 1508 C VAL A 96 -4.980 -0.996 2.187 1.00 0.00 C ATOM 1509 O VAL A 96 -6.043 -1.547 2.476 1.00 0.00 O ATOM 1510 CB VAL A 96 -3.737 -2.920 1.196 1.00 0.00 C ATOM 1511 CG1 VAL A 96 -4.733 -3.976 1.651 1.00 0.00 C ATOM 1512 CG2 VAL A 96 -4.102 -2.389 -0.181 1.00 0.00 C ATOM 0 H VAL A 96 -4.050 -2.943 3.910 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.849 -1.101 1.944 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.754 -3.386 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.770 -4.781 0.917 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.422 -4.378 2.616 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.721 -3.527 1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.148 -3.216 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.073 -1.896 -0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.347 -1.673 -0.507 1.00 0.00 H new ATOM 1522 N ASP A 97 -4.901 0.283 1.836 1.00 0.00 N ATOM 1523 CA ASP A 97 -6.084 1.131 1.768 1.00 0.00 C ATOM 1524 C ASP A 97 -5.986 2.109 0.601 1.00 0.00 C ATOM 1525 O ASP A 97 -4.899 2.581 0.263 1.00 0.00 O ATOM 1526 CB ASP A 97 -6.264 1.900 3.078 1.00 0.00 C ATOM 1527 CG ASP A 97 -5.016 2.660 3.479 1.00 0.00 C ATOM 1528 OD1 ASP A 97 -3.968 2.014 3.685 1.00 0.00 O ATOM 1529 OD2 ASP A 97 -5.086 3.903 3.587 1.00 0.00 O ATOM 0 H ASP A 97 -4.030 0.755 1.594 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.951 0.489 1.610 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.094 2.599 2.975 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.532 1.202 3.872 1.00 0.00 H new ATOM 1534 N LEU A 98 -7.125 2.407 -0.012 1.00 0.00 N ATOM 1535 CA LEU A 98 -7.168 3.327 -1.144 1.00 0.00 C ATOM 1536 C LEU A 98 -7.021 4.772 -0.676 1.00 0.00 C ATOM 1537 O LEU A 98 -7.819 5.260 0.123 1.00 0.00 O ATOM 1538 CB LEU A 98 -8.479 3.160 -1.914 1.00 0.00 C ATOM 1539 CG LEU A 98 -8.346 2.876 -3.411 1.00 0.00 C ATOM 1540 CD1 LEU A 98 -8.889 1.495 -3.743 1.00 0.00 C ATOM 1541 CD2 LEU A 98 -9.067 3.944 -4.221 1.00 0.00 C ATOM 0 H LEU A 98 -8.032 2.025 0.255 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.334 3.091 -1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.043 2.346 -1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.070 4.067 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.288 2.900 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.786 1.311 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -8.329 0.741 -3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -9.942 1.442 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.962 3.727 -5.284 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.124 3.951 -3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.632 4.920 -4.006 1.00 0.00 H new ATOM 1553 N SER A 99 -5.996 5.450 -1.182 1.00 0.00 N ATOM 1554 CA SER A 99 -5.743 6.839 -0.815 1.00 0.00 C ATOM 1555 C SER A 99 -6.561 7.788 -1.686 1.00 0.00 C ATOM 1556 O SER A 99 -7.000 7.425 -2.776 1.00 0.00 O ATOM 1557 CB SER A 99 -4.254 7.161 -0.950 1.00 0.00 C ATOM 1558 OG SER A 99 -3.850 8.121 0.012 1.00 0.00 O ATOM 0 H SER A 99 -5.328 5.061 -1.847 1.00 0.00 H new ATOM 0 HA SER A 99 -6.044 6.976 0.224 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.669 6.250 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.050 7.538 -1.952 1.00 0.00 H new ATOM 0 HG SER A 99 -2.894 8.308 -0.094 1.00 0.00 H new ATOM 1564 N GLU A 100 -6.761 9.008 -1.194 1.00 0.00 N ATOM 1565 CA GLU A 100 -7.527 10.009 -1.926 1.00 0.00 C ATOM 1566 C GLU A 100 -6.945 11.404 -1.711 1.00 0.00 C ATOM 1567 O GLU A 100 -7.560 12.253 -1.066 1.00 0.00 O ATOM 1568 CB GLU A 100 -8.993 9.983 -1.488 1.00 0.00 C ATOM 1569 CG GLU A 100 -9.778 8.814 -2.058 1.00 0.00 C ATOM 1570 CD GLU A 100 -10.397 9.129 -3.406 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -9.650 9.166 -4.407 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -11.626 9.339 -3.462 1.00 0.00 O ATOM 0 H GLU A 100 -6.403 9.325 -0.293 1.00 0.00 H new ATOM 0 HA GLU A 100 -7.468 9.769 -2.988 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -9.038 9.943 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -9.471 10.914 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -9.118 7.952 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -10.565 8.534 -1.358 1.00 0.00 H new ATOM 1579 N LYS A 101 -5.754 11.631 -2.255 1.00 0.00 N ATOM 1580 CA LYS A 101 -5.088 12.921 -2.125 1.00 0.00 C ATOM 1581 C LYS A 101 -3.982 13.069 -3.165 1.00 0.00 C ATOM 1582 O LYS A 101 -3.753 14.158 -3.692 1.00 0.00 O ATOM 1583 CB LYS A 101 -4.504 13.077 -0.719 1.00 0.00 C ATOM 1584 CG LYS A 101 -3.395 14.111 -0.633 1.00 0.00 C ATOM 1585 CD LYS A 101 -3.082 14.474 0.810 1.00 0.00 C ATOM 1586 CE LYS A 101 -2.079 15.613 0.893 1.00 0.00 C ATOM 1587 NZ LYS A 101 -1.557 15.793 2.275 1.00 0.00 N ATOM 0 H LYS A 101 -5.231 10.938 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.829 13.703 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.303 13.355 -0.032 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.118 12.114 -0.386 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.497 13.724 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.689 15.007 -1.179 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.001 14.759 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.686 13.601 1.328 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.249 15.416 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.551 16.537 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.876 16.579 2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.345 16.006 2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.084 14.920 2.584 1.00 0.00 H new ATOM 1601 N TYR A 102 -3.300 11.967 -3.458 1.00 0.00 N ATOM 1602 CA TYR A 102 -2.218 11.976 -4.435 1.00 0.00 C ATOM 1603 C TYR A 102 -2.763 11.840 -5.854 1.00 0.00 C ATOM 1604 O TYR A 102 -2.261 12.465 -6.787 1.00 0.00 O ATOM 1605 CB TYR A 102 -1.232 10.842 -4.145 1.00 0.00 C ATOM 1606 CG TYR A 102 -0.329 11.112 -2.963 1.00 0.00 C ATOM 1607 CD1 TYR A 102 -0.840 11.619 -1.775 1.00 0.00 C ATOM 1608 CD2 TYR A 102 1.036 10.862 -3.035 1.00 0.00 C ATOM 1609 CE1 TYR A 102 -0.019 11.868 -0.692 1.00 0.00 C ATOM 1610 CE2 TYR A 102 1.864 11.107 -1.957 1.00 0.00 C ATOM 1611 CZ TYR A 102 1.332 11.611 -0.788 1.00 0.00 C ATOM 1612 OH TYR A 102 2.155 11.857 0.287 1.00 0.00 O ATOM 0 H TYR A 102 -3.477 11.057 -3.033 1.00 0.00 H new ATOM 0 HA TYR A 102 -1.698 12.931 -4.355 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.791 9.924 -3.962 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -0.618 10.671 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.898 11.822 -1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.456 10.470 -3.949 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.433 12.262 0.224 1.00 0.00 H new ATOM 0 HE2 TYR A 102 2.923 10.905 -2.029 1.00 0.00 H new ATOM 0 HH TYR A 102 3.077 11.621 0.054 1.00 0.00 H new ATOM 1622 N LYS A 103 -3.796 11.019 -6.007 1.00 0.00 N ATOM 1623 CA LYS A 103 -4.413 10.800 -7.310 1.00 0.00 C ATOM 1624 C LYS A 103 -3.528 9.926 -8.192 1.00 0.00 C ATOM 1625 O LYS A 103 -3.921 8.828 -8.589 1.00 0.00 O ATOM 1626 CB LYS A 103 -4.678 12.138 -8.002 1.00 0.00 C ATOM 1627 CG LYS A 103 -6.125 12.328 -8.427 1.00 0.00 C ATOM 1628 CD LYS A 103 -6.904 13.141 -7.407 1.00 0.00 C ATOM 1629 CE LYS A 103 -8.212 12.462 -7.035 1.00 0.00 C ATOM 1630 NZ LYS A 103 -9.290 13.451 -6.756 1.00 0.00 N ATOM 0 H LYS A 103 -4.224 10.494 -5.244 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.360 10.284 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -4.397 12.948 -7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -4.037 12.216 -8.880 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.158 12.829 -9.395 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.598 11.354 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -6.298 13.281 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.109 14.132 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.524 11.804 -7.847 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.059 11.834 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.166 12.949 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.004 14.063 -5.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.454 14.033 -7.602 1.00 0.00 H new ATOM 1644 N LYS A 104 -2.331 10.418 -8.494 1.00 0.00 N ATOM 1645 CA LYS A 104 -1.388 9.681 -9.326 1.00 0.00 C ATOM 1646 C LYS A 104 0.030 9.800 -8.778 1.00 0.00 C ATOM 1647 O LYS A 104 0.335 10.714 -8.010 1.00 0.00 O ATOM 1648 CB LYS A 104 -1.436 10.197 -10.765 1.00 0.00 C ATOM 1649 CG LYS A 104 -2.731 9.869 -11.488 1.00 0.00 C ATOM 1650 CD LYS A 104 -2.540 9.848 -12.995 1.00 0.00 C ATOM 1651 CE LYS A 104 -2.292 11.245 -13.544 1.00 0.00 C ATOM 1652 NZ LYS A 104 -2.073 11.232 -15.017 1.00 0.00 N ATOM 0 H LYS A 104 -1.991 11.325 -8.174 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.675 8.630 -9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.297 11.278 -10.759 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.601 9.772 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.099 8.899 -11.154 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.491 10.606 -11.227 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -1.699 9.202 -13.247 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.424 9.421 -13.469 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.143 11.884 -13.309 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.422 11.680 -13.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.908 12.203 -15.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.245 10.643 -15.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.913 10.841 -15.489 1.00 0.00 H new ATOM 1666 N LEU A 105 0.894 8.874 -9.179 1.00 0.00 N ATOM 1667 CA LEU A 105 2.282 8.878 -8.728 1.00 0.00 C ATOM 1668 C LEU A 105 3.188 9.540 -9.761 1.00 0.00 C ATOM 1669 O LEU A 105 3.592 8.914 -10.741 1.00 0.00 O ATOM 1670 CB LEU A 105 2.755 7.448 -8.461 1.00 0.00 C ATOM 1671 CG LEU A 105 1.985 6.674 -7.390 1.00 0.00 C ATOM 1672 CD1 LEU A 105 2.641 5.327 -7.128 1.00 0.00 C ATOM 1673 CD2 LEU A 105 1.899 7.486 -6.106 1.00 0.00 C ATOM 0 H LEU A 105 0.659 8.112 -9.815 1.00 0.00 H new ATOM 0 HA LEU A 105 2.336 9.452 -7.803 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.700 6.888 -9.395 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.805 7.482 -8.171 1.00 0.00 H new ATOM 0 HG LEU A 105 0.973 6.496 -7.754 1.00 0.00 H new ATOM 0 HD11 LEU A 105 2.079 4.791 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.651 4.742 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 105 3.664 5.481 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 105 1.348 6.921 -5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 105 2.904 7.694 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.383 8.426 -6.304 1.00 0.00 H new ATOM 1685 N VAL A 106 3.505 10.811 -9.535 1.00 0.00 N ATOM 1686 CA VAL A 106 4.365 11.559 -10.443 1.00 0.00 C ATOM 1687 C VAL A 106 5.812 11.547 -9.963 1.00 0.00 C ATOM 1688 O VAL A 106 6.084 11.330 -8.783 1.00 0.00 O ATOM 1689 CB VAL A 106 3.896 13.018 -10.588 1.00 0.00 C ATOM 1690 CG1 VAL A 106 2.473 13.071 -11.123 1.00 0.00 C ATOM 1691 CG2 VAL A 106 4.001 13.746 -9.256 1.00 0.00 C ATOM 0 H VAL A 106 3.178 11.344 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 106 4.303 11.068 -11.414 1.00 0.00 H new ATOM 0 HB VAL A 106 4.546 13.521 -11.303 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.159 14.110 -11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.433 12.588 -12.100 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.806 12.552 -10.435 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.665 14.776 -9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.376 13.245 -8.517 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.037 13.739 -8.918 1.00 0.00 H new ATOM 1701 N SER A 107 6.739 11.782 -10.887 1.00 0.00 N ATOM 1702 CA SER A 107 8.159 11.795 -10.560 1.00 0.00 C ATOM 1703 C SER A 107 8.834 13.045 -11.117 1.00 0.00 C ATOM 1704 O SER A 107 9.584 13.724 -10.417 1.00 0.00 O ATOM 1705 CB SER A 107 8.843 10.544 -11.112 1.00 0.00 C ATOM 1706 OG SER A 107 8.795 10.519 -12.529 1.00 0.00 O ATOM 0 H SER A 107 6.531 11.966 -11.868 1.00 0.00 H new ATOM 0 HA SER A 107 8.256 11.804 -9.474 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.881 10.517 -10.780 1.00 0.00 H new ATOM 0 HB3 SER A 107 8.357 9.654 -10.713 1.00 0.00 H new ATOM 0 HG SER A 107 9.241 9.710 -12.857 1.00 0.00 H new ATOM 1712 N GLY A 108 8.560 13.343 -12.384 1.00 0.00 N ATOM 1713 CA GLY A 108 9.148 14.511 -13.015 1.00 0.00 C ATOM 1714 C GLY A 108 8.699 15.806 -12.369 1.00 0.00 C ATOM 1715 O GLY A 108 7.579 15.922 -11.872 1.00 0.00 O ATOM 0 H GLY A 108 7.942 12.797 -12.984 1.00 0.00 H new ATOM 0 HA2 GLY A 108 10.234 14.440 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.880 14.523 -14.071 1.00 0.00 H new ATOM 1719 N PRO A 109 9.588 16.810 -12.369 1.00 0.00 N ATOM 1720 CA PRO A 109 9.302 18.122 -11.782 1.00 0.00 C ATOM 1721 C PRO A 109 8.270 18.904 -12.586 1.00 0.00 C ATOM 1722 O PRO A 109 7.697 19.880 -12.099 1.00 0.00 O ATOM 1723 CB PRO A 109 10.657 18.832 -11.816 1.00 0.00 C ATOM 1724 CG PRO A 109 11.399 18.176 -12.930 1.00 0.00 C ATOM 1725 CD PRO A 109 10.942 16.743 -12.944 1.00 0.00 C ATOM 0 HA PRO A 109 8.877 18.036 -10.782 1.00 0.00 H new ATOM 0 HB2 PRO A 109 10.540 19.901 -11.994 1.00 0.00 H new ATOM 0 HB3 PRO A 109 11.186 18.722 -10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 109 11.185 18.663 -13.881 1.00 0.00 H new ATOM 0 HG3 PRO A 109 12.476 18.241 -12.773 1.00 0.00 H new ATOM 0 HD2 PRO A 109 10.929 16.335 -13.955 1.00 0.00 H new ATOM 0 HD3 PRO A 109 11.599 16.106 -12.352 1.00 0.00 H new ATOM 1733 N SER A 110 8.036 18.472 -13.821 1.00 0.00 N ATOM 1734 CA SER A 110 7.075 19.133 -14.695 1.00 0.00 C ATOM 1735 C SER A 110 5.861 19.612 -13.905 1.00 0.00 C ATOM 1736 O SER A 110 5.367 18.910 -13.021 1.00 0.00 O ATOM 1737 CB SER A 110 6.631 18.187 -15.810 1.00 0.00 C ATOM 1738 OG SER A 110 6.267 18.906 -16.976 1.00 0.00 O ATOM 0 H SER A 110 8.500 17.666 -14.239 1.00 0.00 H new ATOM 0 HA SER A 110 7.563 20.001 -15.139 1.00 0.00 H new ATOM 0 HB2 SER A 110 7.438 17.493 -16.045 1.00 0.00 H new ATOM 0 HB3 SER A 110 5.785 17.590 -15.469 1.00 0.00 H new ATOM 0 HG SER A 110 5.989 18.277 -17.674 1.00 0.00 H new ATOM 1744 N SER A 111 5.385 20.809 -14.229 1.00 0.00 N ATOM 1745 CA SER A 111 4.231 21.383 -13.547 1.00 0.00 C ATOM 1746 C SER A 111 3.216 21.918 -14.553 1.00 0.00 C ATOM 1747 O SER A 111 3.296 23.069 -14.981 1.00 0.00 O ATOM 1748 CB SER A 111 4.674 22.506 -12.607 1.00 0.00 C ATOM 1749 OG SER A 111 4.637 22.084 -11.255 1.00 0.00 O ATOM 0 H SER A 111 5.780 21.401 -14.960 1.00 0.00 H new ATOM 0 HA SER A 111 3.757 20.595 -12.962 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.685 22.823 -12.865 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.025 23.372 -12.739 1.00 0.00 H new ATOM 0 HG SER A 111 4.926 22.819 -10.675 1.00 0.00 H new ATOM 1755 N GLY A 112 2.262 21.072 -14.928 1.00 0.00 N ATOM 1756 CA GLY A 112 1.245 21.475 -15.882 1.00 0.00 C ATOM 1757 C GLY A 112 -0.078 21.800 -15.216 1.00 0.00 C ATOM 1758 O GLY A 112 -0.495 21.115 -14.282 1.00 0.00 O ATOM 0 H GLY A 112 2.175 20.114 -14.588 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.594 22.347 -16.434 1.00 0.00 H new ATOM 0 HA3 GLY A 112 1.096 20.676 -16.609 1.00 0.00 H new TER 1762 GLY A 112