USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 841 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 30 THR OG1 : rot 179:sc= 1.67 USER MOD Set 1.2: A 66 CYS SG : rot 34:sc= -0.199 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 -73:sc= 0.827 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= 0 (180deg=-0.268) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -134:sc= -0.871 (180deg=-2.24) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= -0.708 K(o=-0.71,f=-1.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 81:sc= -1.55 USER MOD Single : A 44 GLN : amide:sc= -0.0409 X(o=-0.041,f=-0.18) USER MOD Single : A 45 MET CE :methyl 167:sc= -11.8! (180deg=-13.9!) USER MOD Single : A 46 SER OG : rot -160:sc= -2.95! USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 51 GLN : amide:sc= -0.0103 X(o=-0.01,f=-0.11) USER MOD Single : A 52 THR OG1 : rot 164:sc= -1.55 USER MOD Single : A 53 THR OG1 : rot -97:sc= 0.987 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -5.79! C(o=-6.5!,f=-5.8!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -2.53 X(o=-2.5,f=-2.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.877 -8.294 -15.777 1.00 0.00 N ATOM 2 CA GLY A 1 -2.065 -7.829 -16.471 1.00 0.00 C ATOM 3 C GLY A 1 -3.216 -8.826 -16.316 1.00 0.00 C ATOM 4 O GLY A 1 -4.061 -8.671 -15.436 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.111 -7.601 -15.897 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.088 -8.405 -14.765 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.580 -9.209 -16.172 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.364 -6.858 -16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.841 -7.688 -17.528 1.00 0.00 H new ATOM 8 N SER A 2 -3.211 -9.827 -17.184 1.00 0.00 N ATOM 9 CA SER A 2 -4.244 -10.848 -17.154 1.00 0.00 C ATOM 10 C SER A 2 -5.617 -10.210 -17.372 1.00 0.00 C ATOM 11 O SER A 2 -5.799 -9.020 -17.123 1.00 0.00 O ATOM 12 CB SER A 2 -4.220 -11.617 -15.831 1.00 0.00 C ATOM 13 OG SER A 2 -3.296 -12.702 -15.861 1.00 0.00 O ATOM 0 H SER A 2 -2.508 -9.953 -17.912 1.00 0.00 H new ATOM 0 HA SER A 2 -4.048 -11.557 -17.959 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.955 -10.937 -15.021 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.218 -11.997 -15.614 1.00 0.00 H new ATOM 0 HG SER A 2 -3.309 -13.167 -14.998 1.00 0.00 H new ATOM 19 N SER A 3 -6.548 -11.031 -17.836 1.00 0.00 N ATOM 20 CA SER A 3 -7.900 -10.562 -18.091 1.00 0.00 C ATOM 21 C SER A 3 -8.912 -11.491 -17.417 1.00 0.00 C ATOM 22 O SER A 3 -8.597 -12.639 -17.109 1.00 0.00 O ATOM 23 CB SER A 3 -8.178 -10.474 -19.593 1.00 0.00 C ATOM 24 OG SER A 3 -8.039 -9.144 -20.085 1.00 0.00 O ATOM 0 H SER A 3 -6.393 -12.018 -18.042 1.00 0.00 H new ATOM 0 HA SER A 3 -8.000 -9.561 -17.671 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.493 -11.132 -20.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.187 -10.832 -19.796 1.00 0.00 H new ATOM 0 HG SER A 3 -8.223 -9.130 -21.047 1.00 0.00 H new ATOM 30 N GLY A 4 -10.107 -10.959 -17.208 1.00 0.00 N ATOM 31 CA GLY A 4 -11.167 -11.726 -16.577 1.00 0.00 C ATOM 32 C GLY A 4 -11.779 -10.954 -15.406 1.00 0.00 C ATOM 33 O GLY A 4 -12.884 -10.424 -15.517 1.00 0.00 O ATOM 0 H GLY A 4 -10.365 -10.006 -17.464 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.940 -11.956 -17.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.771 -12.678 -16.223 1.00 0.00 H new ATOM 37 N SER A 5 -11.035 -10.916 -14.310 1.00 0.00 N ATOM 38 CA SER A 5 -11.491 -10.218 -13.120 1.00 0.00 C ATOM 39 C SER A 5 -12.962 -10.542 -12.854 1.00 0.00 C ATOM 40 O SER A 5 -13.847 -9.766 -13.213 1.00 0.00 O ATOM 41 CB SER A 5 -11.297 -8.707 -13.260 1.00 0.00 C ATOM 42 OG SER A 5 -9.928 -8.330 -13.139 1.00 0.00 O ATOM 0 H SER A 5 -10.120 -11.357 -14.221 1.00 0.00 H new ATOM 0 HA SER A 5 -10.893 -10.557 -12.274 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.678 -8.381 -14.228 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.883 -8.194 -12.497 1.00 0.00 H new ATOM 0 HG SER A 5 -9.651 -8.400 -12.202 1.00 0.00 H new ATOM 48 N SER A 6 -13.178 -11.690 -12.228 1.00 0.00 N ATOM 49 CA SER A 6 -14.527 -12.126 -11.910 1.00 0.00 C ATOM 50 C SER A 6 -14.686 -12.276 -10.396 1.00 0.00 C ATOM 51 O SER A 6 -14.495 -13.363 -9.853 1.00 0.00 O ATOM 52 CB SER A 6 -14.860 -13.444 -12.612 1.00 0.00 C ATOM 53 OG SER A 6 -15.691 -13.248 -13.752 1.00 0.00 O ATOM 0 H SER A 6 -12.442 -12.331 -11.933 1.00 0.00 H new ATOM 0 HA SER A 6 -15.224 -11.369 -12.268 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.936 -13.935 -12.917 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.359 -14.112 -11.910 1.00 0.00 H new ATOM 0 HG SER A 6 -15.879 -14.113 -14.172 1.00 0.00 H new ATOM 59 N GLY A 7 -15.033 -11.169 -9.757 1.00 0.00 N ATOM 60 CA GLY A 7 -15.219 -11.164 -8.316 1.00 0.00 C ATOM 61 C GLY A 7 -14.291 -10.148 -7.647 1.00 0.00 C ATOM 62 O GLY A 7 -13.507 -9.480 -8.320 1.00 0.00 O ATOM 0 H GLY A 7 -15.190 -10.269 -10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.256 -10.925 -8.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.023 -12.159 -7.917 1.00 0.00 H new ATOM 66 N MET A 8 -14.409 -10.064 -6.330 1.00 0.00 N ATOM 67 CA MET A 8 -13.591 -9.141 -5.562 1.00 0.00 C ATOM 68 C MET A 8 -12.613 -9.896 -4.659 1.00 0.00 C ATOM 69 O MET A 8 -12.930 -10.975 -4.161 1.00 0.00 O ATOM 70 CB MET A 8 -14.492 -8.249 -4.706 1.00 0.00 C ATOM 71 CG MET A 8 -14.915 -6.996 -5.476 1.00 0.00 C ATOM 72 SD MET A 8 -14.500 -5.535 -4.540 1.00 0.00 S ATOM 73 CE MET A 8 -12.805 -5.310 -5.051 1.00 0.00 C ATOM 0 H MET A 8 -15.059 -10.620 -5.775 1.00 0.00 H new ATOM 0 HA MET A 8 -13.016 -8.530 -6.258 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.376 -8.807 -4.399 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.965 -7.961 -3.796 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.418 -6.970 -6.446 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.988 -7.022 -5.668 1.00 0.00 H new ATOM 0 HE1 MET A 8 -12.300 -4.641 -4.354 1.00 0.00 H new ATOM 0 HE2 MET A 8 -12.297 -6.274 -5.061 1.00 0.00 H new ATOM 0 HE3 MET A 8 -12.781 -4.877 -6.051 1.00 0.00 H new ATOM 83 N GLY A 9 -11.445 -9.298 -4.476 1.00 0.00 N ATOM 84 CA GLY A 9 -10.419 -9.901 -3.642 1.00 0.00 C ATOM 85 C GLY A 9 -9.440 -8.844 -3.128 1.00 0.00 C ATOM 86 O GLY A 9 -9.849 -7.858 -2.517 1.00 0.00 O ATOM 0 H GLY A 9 -11.186 -8.403 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.884 -10.412 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.878 -10.656 -4.213 1.00 0.00 H new ATOM 90 N LEU A 10 -8.164 -9.085 -3.394 1.00 0.00 N ATOM 91 CA LEU A 10 -7.123 -8.166 -2.966 1.00 0.00 C ATOM 92 C LEU A 10 -6.652 -7.341 -4.165 1.00 0.00 C ATOM 93 O LEU A 10 -6.698 -6.112 -4.134 1.00 0.00 O ATOM 94 CB LEU A 10 -5.997 -8.924 -2.260 1.00 0.00 C ATOM 95 CG LEU A 10 -4.816 -8.077 -1.782 1.00 0.00 C ATOM 96 CD1 LEU A 10 -5.096 -7.474 -0.403 1.00 0.00 C ATOM 97 CD2 LEU A 10 -3.518 -8.886 -1.800 1.00 0.00 C ATOM 0 H LEU A 10 -7.828 -9.904 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.514 -7.464 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.419 -9.442 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.619 -9.689 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.688 -7.247 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.241 -6.877 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.981 -6.841 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.265 -8.275 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.695 -8.260 -1.456 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.618 -9.749 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.315 -9.226 -2.816 1.00 0.00 H new ATOM 109 N GLU A 11 -6.210 -8.050 -5.193 1.00 0.00 N ATOM 110 CA GLU A 11 -5.730 -7.399 -6.400 1.00 0.00 C ATOM 111 C GLU A 11 -6.719 -6.321 -6.850 1.00 0.00 C ATOM 112 O GLU A 11 -6.354 -5.153 -6.975 1.00 0.00 O ATOM 113 CB GLU A 11 -5.488 -8.419 -7.514 1.00 0.00 C ATOM 114 CG GLU A 11 -4.883 -7.749 -8.750 1.00 0.00 C ATOM 115 CD GLU A 11 -4.080 -8.752 -9.580 1.00 0.00 C ATOM 116 OE1 GLU A 11 -4.647 -9.827 -9.875 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.918 -8.422 -9.900 1.00 0.00 O ATOM 0 H GLU A 11 -6.174 -9.069 -5.215 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.776 -6.921 -6.177 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.819 -9.202 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.428 -8.901 -7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.677 -7.320 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.237 -6.926 -8.443 1.00 0.00 H new ATOM 124 N GLU A 12 -7.950 -6.751 -7.081 1.00 0.00 N ATOM 125 CA GLU A 12 -8.994 -5.837 -7.513 1.00 0.00 C ATOM 126 C GLU A 12 -9.125 -4.676 -6.526 1.00 0.00 C ATOM 127 O GLU A 12 -9.510 -3.572 -6.908 1.00 0.00 O ATOM 128 CB GLU A 12 -10.327 -6.567 -7.682 1.00 0.00 C ATOM 129 CG GLU A 12 -10.570 -6.936 -9.146 1.00 0.00 C ATOM 130 CD GLU A 12 -10.216 -8.402 -9.408 1.00 0.00 C ATOM 131 OE1 GLU A 12 -10.765 -9.257 -8.680 1.00 0.00 O ATOM 132 OE2 GLU A 12 -9.405 -8.634 -10.331 1.00 0.00 O ATOM 0 H GLU A 12 -8.249 -7.721 -6.977 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.715 -5.431 -8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.331 -7.469 -7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.139 -5.935 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.615 -6.759 -9.401 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.972 -6.293 -9.791 1.00 0.00 H new ATOM 139 N GLU A 13 -8.798 -4.964 -5.275 1.00 0.00 N ATOM 140 CA GLU A 13 -8.874 -3.958 -4.230 1.00 0.00 C ATOM 141 C GLU A 13 -7.663 -3.025 -4.301 1.00 0.00 C ATOM 142 O GLU A 13 -7.807 -1.807 -4.205 1.00 0.00 O ATOM 143 CB GLU A 13 -8.985 -4.608 -2.849 1.00 0.00 C ATOM 144 CG GLU A 13 -8.317 -3.741 -1.780 1.00 0.00 C ATOM 145 CD GLU A 13 -8.896 -4.036 -0.395 1.00 0.00 C ATOM 146 OE1 GLU A 13 -10.071 -3.667 -0.181 1.00 0.00 O ATOM 147 OE2 GLU A 13 -8.151 -4.625 0.418 1.00 0.00 O ATOM 0 H GLU A 13 -8.479 -5.881 -4.961 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.775 -3.365 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -10.035 -4.758 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.518 -5.593 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.243 -3.926 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.458 -2.687 -2.020 1.00 0.00 H new ATOM 154 N LEU A 14 -6.498 -3.633 -4.470 1.00 0.00 N ATOM 155 CA LEU A 14 -5.263 -2.872 -4.556 1.00 0.00 C ATOM 156 C LEU A 14 -5.367 -1.866 -5.704 1.00 0.00 C ATOM 157 O LEU A 14 -5.135 -0.673 -5.512 1.00 0.00 O ATOM 158 CB LEU A 14 -4.061 -3.812 -4.669 1.00 0.00 C ATOM 159 CG LEU A 14 -3.715 -4.613 -3.412 1.00 0.00 C ATOM 160 CD1 LEU A 14 -2.628 -5.649 -3.705 1.00 0.00 C ATOM 161 CD2 LEU A 14 -3.327 -3.684 -2.260 1.00 0.00 C ATOM 0 H LEU A 14 -6.383 -4.643 -4.550 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.105 -2.298 -3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.248 -4.513 -5.482 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.189 -3.222 -4.951 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.604 -5.160 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.400 -6.205 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.980 -6.338 -4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.728 -5.143 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.086 -4.278 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.458 -3.092 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.160 -3.019 -2.032 1.00 0.00 H new ATOM 173 N LEU A 15 -5.718 -2.383 -6.872 1.00 0.00 N ATOM 174 CA LEU A 15 -5.856 -1.545 -8.051 1.00 0.00 C ATOM 175 C LEU A 15 -6.835 -0.409 -7.751 1.00 0.00 C ATOM 176 O LEU A 15 -6.575 0.745 -8.089 1.00 0.00 O ATOM 177 CB LEU A 15 -6.247 -2.390 -9.266 1.00 0.00 C ATOM 178 CG LEU A 15 -5.151 -3.293 -9.835 1.00 0.00 C ATOM 179 CD1 LEU A 15 -5.661 -4.722 -10.024 1.00 0.00 C ATOM 180 CD2 LEU A 15 -4.580 -2.712 -11.131 1.00 0.00 C ATOM 0 H LEU A 15 -5.911 -3.372 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.901 -1.085 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.098 -3.014 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.585 -1.720 -10.056 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.335 -3.335 -9.114 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.862 -5.343 -10.430 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.981 -5.124 -9.063 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.504 -4.719 -10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.803 -3.373 -11.515 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -5.376 -2.620 -11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.154 -1.729 -10.932 1.00 0.00 H new ATOM 192 N ARG A 16 -7.942 -0.774 -7.121 1.00 0.00 N ATOM 193 CA ARG A 16 -8.961 0.200 -6.772 1.00 0.00 C ATOM 194 C ARG A 16 -8.349 1.339 -5.953 1.00 0.00 C ATOM 195 O ARG A 16 -8.620 2.510 -6.212 1.00 0.00 O ATOM 196 CB ARG A 16 -10.090 -0.447 -5.968 1.00 0.00 C ATOM 197 CG ARG A 16 -11.211 -0.933 -6.890 1.00 0.00 C ATOM 198 CD ARG A 16 -12.572 -0.828 -6.200 1.00 0.00 C ATOM 199 NE ARG A 16 -13.479 0.026 -6.999 1.00 0.00 N ATOM 200 CZ ARG A 16 -14.146 -0.394 -8.083 1.00 0.00 C ATOM 201 NH1 ARG A 16 -14.011 -1.658 -8.504 1.00 0.00 N ATOM 202 NH2 ARG A 16 -14.948 0.452 -8.745 1.00 0.00 N ATOM 0 H ARG A 16 -8.155 -1.732 -6.843 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.372 0.596 -7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.698 -1.286 -5.393 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.489 0.271 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.217 -0.341 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.025 -1.967 -7.181 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.006 -1.821 -6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.451 -0.410 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.604 0.995 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.401 -2.301 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.519 -1.978 -9.329 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.050 1.415 -8.424 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.456 0.133 -9.570 1.00 0.00 H new ATOM 216 N ILE A 17 -7.535 0.954 -4.981 1.00 0.00 N ATOM 217 CA ILE A 17 -6.883 1.928 -4.122 1.00 0.00 C ATOM 218 C ILE A 17 -5.965 2.813 -4.968 1.00 0.00 C ATOM 219 O ILE A 17 -6.182 4.020 -5.070 1.00 0.00 O ATOM 220 CB ILE A 17 -6.166 1.228 -2.966 1.00 0.00 C ATOM 221 CG1 ILE A 17 -7.158 0.813 -1.877 1.00 0.00 C ATOM 222 CG2 ILE A 17 -5.038 2.100 -2.411 1.00 0.00 C ATOM 223 CD1 ILE A 17 -6.793 -0.554 -1.295 1.00 0.00 C ATOM 0 H ILE A 17 -7.312 -0.019 -4.769 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.622 2.583 -3.659 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.708 0.316 -3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.166 1.560 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.165 0.778 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.545 1.579 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.313 2.303 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.451 3.041 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.514 -0.825 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.810 -1.303 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.795 -0.509 -0.859 1.00 0.00 H new ATOM 235 N ALA A 18 -4.959 2.180 -5.553 1.00 0.00 N ATOM 236 CA ALA A 18 -4.008 2.895 -6.387 1.00 0.00 C ATOM 237 C ALA A 18 -4.757 3.914 -7.248 1.00 0.00 C ATOM 238 O ALA A 18 -4.542 5.118 -7.120 1.00 0.00 O ATOM 239 CB ALA A 18 -3.211 1.895 -7.226 1.00 0.00 C ATOM 0 H ALA A 18 -4.782 1.179 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.295 3.444 -5.772 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.498 2.432 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.674 1.213 -6.567 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.892 1.326 -7.859 1.00 0.00 H new ATOM 245 N LYS A 19 -5.621 3.393 -8.108 1.00 0.00 N ATOM 246 CA LYS A 19 -6.402 4.242 -8.991 1.00 0.00 C ATOM 247 C LYS A 19 -6.873 5.476 -8.219 1.00 0.00 C ATOM 248 O LYS A 19 -6.752 6.600 -8.705 1.00 0.00 O ATOM 249 CB LYS A 19 -7.541 3.445 -9.630 1.00 0.00 C ATOM 250 CG LYS A 19 -7.008 2.484 -10.694 1.00 0.00 C ATOM 251 CD LYS A 19 -7.083 3.111 -12.087 1.00 0.00 C ATOM 252 CE LYS A 19 -8.525 3.144 -12.597 1.00 0.00 C ATOM 253 NZ LYS A 19 -8.684 4.184 -13.637 1.00 0.00 N ATOM 0 H LYS A 19 -5.797 2.394 -8.212 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.789 4.598 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -8.073 2.884 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.260 4.129 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.976 2.220 -10.466 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.585 1.560 -10.676 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.681 4.124 -12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.462 2.543 -12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.795 2.170 -13.005 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.205 3.343 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.669 4.192 -13.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.446 5.114 -13.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.049 3.978 -14.434 1.00 0.00 H new ATOM 267 N LYS A 20 -7.400 5.226 -7.029 1.00 0.00 N ATOM 268 CA LYS A 20 -7.890 6.303 -6.186 1.00 0.00 C ATOM 269 C LYS A 20 -6.742 7.266 -5.879 1.00 0.00 C ATOM 270 O LYS A 20 -6.846 8.464 -6.137 1.00 0.00 O ATOM 271 CB LYS A 20 -8.570 5.738 -4.937 1.00 0.00 C ATOM 272 CG LYS A 20 -10.064 6.067 -4.930 1.00 0.00 C ATOM 273 CD LYS A 20 -10.628 6.027 -3.508 1.00 0.00 C ATOM 274 CE LYS A 20 -12.128 6.325 -3.505 1.00 0.00 C ATOM 275 NZ LYS A 20 -12.901 5.093 -3.779 1.00 0.00 N ATOM 0 H LYS A 20 -7.498 4.293 -6.629 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.657 6.876 -6.707 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.432 4.657 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.099 6.150 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.224 7.055 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.600 5.355 -5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.448 5.046 -3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.108 6.755 -2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.421 6.738 -2.540 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.356 7.080 -4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.918 5.313 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.633 4.715 -4.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.696 4.384 -3.046 1.00 0.00 H new ATOM 289 N LEU A 21 -5.672 6.707 -5.332 1.00 0.00 N ATOM 290 CA LEU A 21 -4.506 7.502 -4.986 1.00 0.00 C ATOM 291 C LEU A 21 -4.023 8.256 -6.227 1.00 0.00 C ATOM 292 O LEU A 21 -4.007 9.486 -6.243 1.00 0.00 O ATOM 293 CB LEU A 21 -3.431 6.624 -4.343 1.00 0.00 C ATOM 294 CG LEU A 21 -3.814 5.953 -3.022 1.00 0.00 C ATOM 295 CD1 LEU A 21 -2.818 4.850 -2.658 1.00 0.00 C ATOM 296 CD2 LEU A 21 -3.957 6.988 -1.904 1.00 0.00 C ATOM 0 H LEU A 21 -5.588 5.713 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.763 8.251 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.151 5.847 -5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.544 7.235 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.787 5.478 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.113 4.390 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.809 4.094 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.821 5.279 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.230 6.486 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.010 7.511 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.733 7.706 -2.170 1.00 0.00 H new ATOM 308 N GLU A 22 -3.642 7.487 -7.236 1.00 0.00 N ATOM 309 CA GLU A 22 -3.159 8.068 -8.478 1.00 0.00 C ATOM 310 C GLU A 22 -4.043 9.247 -8.891 1.00 0.00 C ATOM 311 O GLU A 22 -3.540 10.325 -9.202 1.00 0.00 O ATOM 312 CB GLU A 22 -3.096 7.015 -9.587 1.00 0.00 C ATOM 313 CG GLU A 22 -2.100 5.909 -9.236 1.00 0.00 C ATOM 314 CD GLU A 22 -0.658 6.402 -9.378 1.00 0.00 C ATOM 315 OE1 GLU A 22 -0.214 7.129 -8.463 1.00 0.00 O ATOM 316 OE2 GLU A 22 -0.034 6.042 -10.399 1.00 0.00 O ATOM 0 H GLU A 22 -3.658 6.467 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.147 8.438 -8.315 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.085 6.583 -9.740 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.805 7.487 -10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.273 5.570 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.260 5.050 -9.888 1.00 0.00 H new ATOM 323 N LYS A 23 -5.345 9.001 -8.881 1.00 0.00 N ATOM 324 CA LYS A 23 -6.303 10.029 -9.251 1.00 0.00 C ATOM 325 C LYS A 23 -6.079 11.266 -8.380 1.00 0.00 C ATOM 326 O LYS A 23 -5.751 12.337 -8.889 1.00 0.00 O ATOM 327 CB LYS A 23 -7.730 9.480 -9.185 1.00 0.00 C ATOM 328 CG LYS A 23 -8.756 10.588 -9.434 1.00 0.00 C ATOM 329 CD LYS A 23 -8.838 10.934 -10.922 1.00 0.00 C ATOM 330 CE LYS A 23 -9.941 10.130 -11.612 1.00 0.00 C ATOM 331 NZ LYS A 23 -11.234 10.845 -11.527 1.00 0.00 N ATOM 0 H LYS A 23 -5.759 8.105 -8.623 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.152 10.336 -10.286 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.855 8.691 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.905 9.030 -8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.735 10.269 -9.077 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.483 11.476 -8.865 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.032 12.000 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.880 10.729 -11.400 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.679 9.964 -12.657 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.030 9.149 -11.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.972 10.285 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.490 10.982 -10.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.150 11.771 -11.993 1.00 0.00 H new ATOM 345 N MET A 24 -6.266 11.078 -7.082 1.00 0.00 N ATOM 346 CA MET A 24 -6.088 12.166 -6.135 1.00 0.00 C ATOM 347 C MET A 24 -4.805 12.946 -6.430 1.00 0.00 C ATOM 348 O MET A 24 -4.855 14.137 -6.734 1.00 0.00 O ATOM 349 CB MET A 24 -6.026 11.601 -4.714 1.00 0.00 C ATOM 350 CG MET A 24 -7.260 10.750 -4.408 1.00 0.00 C ATOM 351 SD MET A 24 -8.010 11.288 -2.880 1.00 0.00 S ATOM 352 CE MET A 24 -7.617 9.895 -1.835 1.00 0.00 C ATOM 0 H MET A 24 -6.539 10.189 -6.664 1.00 0.00 H new ATOM 0 HA MET A 24 -6.934 12.846 -6.229 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.126 10.998 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.957 12.419 -3.996 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.979 10.831 -5.223 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.978 9.700 -4.334 1.00 0.00 H new ATOM 0 HE1 MET A 24 -8.503 9.602 -1.272 1.00 0.00 H new ATOM 0 HE2 MET A 24 -7.286 9.059 -2.452 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.822 10.172 -1.143 1.00 0.00 H new ATOM 362 N VAL A 25 -3.687 12.243 -6.331 1.00 0.00 N ATOM 363 CA VAL A 25 -2.393 12.855 -6.584 1.00 0.00 C ATOM 364 C VAL A 25 -2.463 13.668 -7.878 1.00 0.00 C ATOM 365 O VAL A 25 -2.033 14.820 -7.916 1.00 0.00 O ATOM 366 CB VAL A 25 -1.303 11.782 -6.610 1.00 0.00 C ATOM 367 CG1 VAL A 25 0.089 12.416 -6.644 1.00 0.00 C ATOM 368 CG2 VAL A 25 -1.443 10.829 -5.421 1.00 0.00 C ATOM 0 H VAL A 25 -3.650 11.255 -6.079 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.132 13.544 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.428 11.199 -7.523 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.846 11.632 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.186 13.034 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.229 13.035 -5.758 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.656 10.076 -5.464 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.357 11.392 -4.492 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.416 10.339 -5.460 1.00 0.00 H new ATOM 378 N SER A 26 -3.008 13.037 -8.907 1.00 0.00 N ATOM 379 CA SER A 26 -3.140 13.687 -10.200 1.00 0.00 C ATOM 380 C SER A 26 -3.807 15.054 -10.033 1.00 0.00 C ATOM 381 O SER A 26 -3.278 16.067 -10.487 1.00 0.00 O ATOM 382 CB SER A 26 -3.942 12.821 -11.173 1.00 0.00 C ATOM 383 OG SER A 26 -3.406 12.865 -12.493 1.00 0.00 O ATOM 0 H SER A 26 -3.364 12.082 -8.872 1.00 0.00 H new ATOM 0 HA SER A 26 -2.142 13.825 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.950 11.790 -10.819 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.978 13.160 -11.191 1.00 0.00 H new ATOM 0 HG SER A 26 -3.945 12.298 -13.084 1.00 0.00 H new ATOM 389 N ARG A 27 -4.960 15.038 -9.380 1.00 0.00 N ATOM 390 CA ARG A 27 -5.705 16.263 -9.147 1.00 0.00 C ATOM 391 C ARG A 27 -5.202 16.958 -7.880 1.00 0.00 C ATOM 392 O ARG A 27 -5.843 17.879 -7.377 1.00 0.00 O ATOM 393 CB ARG A 27 -7.202 15.979 -9.005 1.00 0.00 C ATOM 394 CG ARG A 27 -7.746 15.269 -10.246 1.00 0.00 C ATOM 395 CD ARG A 27 -7.318 15.994 -11.524 1.00 0.00 C ATOM 396 NE ARG A 27 -8.415 15.957 -12.517 1.00 0.00 N ATOM 397 CZ ARG A 27 -8.325 16.466 -13.753 1.00 0.00 C ATOM 398 NH1 ARG A 27 -7.191 17.054 -14.156 1.00 0.00 N ATOM 399 NH2 ARG A 27 -9.371 16.387 -14.588 1.00 0.00 N ATOM 0 H ARG A 27 -5.396 14.196 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.550 16.914 -10.008 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.377 15.363 -8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.740 16.914 -8.852 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.385 14.241 -10.269 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.834 15.224 -10.196 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.057 17.027 -11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.426 15.524 -11.937 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.294 15.517 -12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.395 17.115 -13.522 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.124 17.441 -15.097 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.235 15.939 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.303 16.774 -15.529 1.00 0.00 H new ATOM 413 N LYS A 28 -4.060 16.488 -7.400 1.00 0.00 N ATOM 414 CA LYS A 28 -3.463 17.053 -6.201 1.00 0.00 C ATOM 415 C LYS A 28 -4.564 17.347 -5.179 1.00 0.00 C ATOM 416 O LYS A 28 -4.813 18.505 -4.846 1.00 0.00 O ATOM 417 CB LYS A 28 -2.608 18.272 -6.551 1.00 0.00 C ATOM 418 CG LYS A 28 -1.303 18.274 -5.751 1.00 0.00 C ATOM 419 CD LYS A 28 -0.139 18.784 -6.602 1.00 0.00 C ATOM 420 CE LYS A 28 -0.066 20.312 -6.573 1.00 0.00 C ATOM 421 NZ LYS A 28 1.119 20.789 -7.320 1.00 0.00 N ATOM 0 H LYS A 28 -3.532 15.723 -7.819 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.782 16.337 -5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.385 18.270 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.167 19.184 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.415 18.903 -4.868 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.086 17.265 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.797 18.365 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.258 18.442 -7.630 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.972 20.733 -7.009 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.017 20.660 -5.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.153 21.828 -7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.982 20.402 -6.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.056 20.473 -8.309 1.00 0.00 H new ATOM 435 N LYS A 29 -5.193 16.279 -4.711 1.00 0.00 N ATOM 436 CA LYS A 29 -6.261 16.409 -3.734 1.00 0.00 C ATOM 437 C LYS A 29 -6.489 15.058 -3.052 1.00 0.00 C ATOM 438 O LYS A 29 -7.361 14.292 -3.460 1.00 0.00 O ATOM 439 CB LYS A 29 -7.518 16.987 -4.387 1.00 0.00 C ATOM 440 CG LYS A 29 -7.841 18.372 -3.823 1.00 0.00 C ATOM 441 CD LYS A 29 -7.961 19.407 -4.944 1.00 0.00 C ATOM 442 CE LYS A 29 -9.360 19.383 -5.563 1.00 0.00 C ATOM 443 NZ LYS A 29 -9.423 20.283 -6.737 1.00 0.00 N ATOM 0 H LYS A 29 -4.984 15.320 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.980 17.118 -2.955 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.374 17.054 -5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.361 16.316 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.773 18.331 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.061 18.675 -3.125 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.750 20.401 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.215 19.204 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.614 18.366 -5.863 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.097 19.690 -4.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.379 20.255 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.201 21.255 -6.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.733 19.972 -7.450 1.00 0.00 H new ATOM 457 N THR A 30 -5.689 14.807 -2.026 1.00 0.00 N ATOM 458 CA THR A 30 -5.793 13.562 -1.284 1.00 0.00 C ATOM 459 C THR A 30 -6.870 13.674 -0.203 1.00 0.00 C ATOM 460 O THR A 30 -7.977 13.164 -0.370 1.00 0.00 O ATOM 461 CB THR A 30 -4.407 13.226 -0.728 1.00 0.00 C ATOM 462 OG1 THR A 30 -3.977 14.438 -0.114 1.00 0.00 O ATOM 463 CG2 THR A 30 -3.377 12.982 -1.833 1.00 0.00 C ATOM 0 H THR A 30 -4.966 15.444 -1.691 1.00 0.00 H new ATOM 0 HA THR A 30 -6.108 12.742 -1.929 1.00 0.00 H new ATOM 0 HB THR A 30 -4.474 12.343 -0.093 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.096 14.304 0.293 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.411 12.748 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.701 12.147 -2.454 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.284 13.877 -2.448 1.00 0.00 H new ATOM 471 N GLU A 31 -6.508 14.344 0.881 1.00 0.00 N ATOM 472 CA GLU A 31 -7.430 14.529 1.989 1.00 0.00 C ATOM 473 C GLU A 31 -8.222 13.244 2.241 1.00 0.00 C ATOM 474 O GLU A 31 -9.357 13.293 2.713 1.00 0.00 O ATOM 475 CB GLU A 31 -8.367 15.710 1.731 1.00 0.00 C ATOM 476 CG GLU A 31 -8.504 16.584 2.979 1.00 0.00 C ATOM 477 CD GLU A 31 -9.975 16.803 3.337 1.00 0.00 C ATOM 478 OE1 GLU A 31 -10.770 16.979 2.389 1.00 0.00 O ATOM 479 OE2 GLU A 31 -10.272 16.789 4.551 1.00 0.00 O ATOM 0 H GLU A 31 -5.589 14.765 1.016 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.851 14.757 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.985 16.308 0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.348 15.342 1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.989 16.112 3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.021 17.546 2.808 1.00 0.00 H new ATOM 486 N GLY A 32 -7.593 12.125 1.914 1.00 0.00 N ATOM 487 CA GLY A 32 -8.225 10.830 2.098 1.00 0.00 C ATOM 488 C GLY A 32 -7.326 9.703 1.586 1.00 0.00 C ATOM 489 O GLY A 32 -7.812 8.725 1.020 1.00 0.00 O ATOM 0 H GLY A 32 -6.652 12.088 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.443 10.675 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.178 10.808 1.570 1.00 0.00 H new ATOM 493 N ALA A 33 -6.031 9.878 1.802 1.00 0.00 N ATOM 494 CA ALA A 33 -5.059 8.888 1.370 1.00 0.00 C ATOM 495 C ALA A 33 -4.754 7.938 2.530 1.00 0.00 C ATOM 496 O ALA A 33 -4.373 6.789 2.312 1.00 0.00 O ATOM 497 CB ALA A 33 -3.806 9.595 0.849 1.00 0.00 C ATOM 0 H ALA A 33 -5.632 10.691 2.271 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.459 8.290 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.077 8.852 0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.072 10.233 0.007 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.375 10.204 1.644 1.00 0.00 H new ATOM 503 N LEU A 34 -4.931 8.454 3.737 1.00 0.00 N ATOM 504 CA LEU A 34 -4.679 7.667 4.932 1.00 0.00 C ATOM 505 C LEU A 34 -5.498 6.376 4.869 1.00 0.00 C ATOM 506 O LEU A 34 -4.954 5.283 5.018 1.00 0.00 O ATOM 507 CB LEU A 34 -4.940 8.500 6.188 1.00 0.00 C ATOM 508 CG LEU A 34 -4.221 8.042 7.458 1.00 0.00 C ATOM 509 CD1 LEU A 34 -2.707 7.990 7.243 1.00 0.00 C ATOM 510 CD2 LEU A 34 -4.600 8.922 8.651 1.00 0.00 C ATOM 0 H LEU A 34 -5.246 9.408 3.913 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.629 7.377 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.651 9.531 5.983 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.013 8.502 6.382 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.549 7.028 7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.220 7.661 8.161 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.477 7.290 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.343 8.982 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.075 8.575 9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.320 9.955 8.445 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.675 8.864 8.819 1.00 0.00 H new ATOM 522 N ASP A 35 -6.794 6.545 4.648 1.00 0.00 N ATOM 523 CA ASP A 35 -7.693 5.407 4.564 1.00 0.00 C ATOM 524 C ASP A 35 -7.146 4.405 3.546 1.00 0.00 C ATOM 525 O ASP A 35 -7.102 3.205 3.814 1.00 0.00 O ATOM 526 CB ASP A 35 -9.086 5.840 4.100 1.00 0.00 C ATOM 527 CG ASP A 35 -10.230 5.447 5.037 1.00 0.00 C ATOM 528 OD1 ASP A 35 -9.962 5.359 6.255 1.00 0.00 O ATOM 529 OD2 ASP A 35 -11.347 5.244 4.515 1.00 0.00 O ATOM 0 H ASP A 35 -7.242 7.453 4.525 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.765 4.960 5.555 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.092 6.923 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.276 5.408 3.118 1.00 0.00 H new ATOM 534 N LEU A 36 -6.744 4.933 2.400 1.00 0.00 N ATOM 535 CA LEU A 36 -6.202 4.099 1.340 1.00 0.00 C ATOM 536 C LEU A 36 -4.894 3.464 1.816 1.00 0.00 C ATOM 537 O LEU A 36 -4.699 2.258 1.676 1.00 0.00 O ATOM 538 CB LEU A 36 -6.060 4.902 0.046 1.00 0.00 C ATOM 539 CG LEU A 36 -7.364 5.401 -0.580 1.00 0.00 C ATOM 540 CD1 LEU A 36 -7.108 6.592 -1.505 1.00 0.00 C ATOM 541 CD2 LEU A 36 -8.097 4.266 -1.298 1.00 0.00 C ATOM 0 H LEU A 36 -6.783 5.929 2.182 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.887 3.284 1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.422 5.764 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.542 4.284 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.015 5.750 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -8.051 6.927 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.661 7.406 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.429 6.293 -2.304 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.020 4.648 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.462 3.865 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.332 3.476 -0.585 1.00 0.00 H new ATOM 553 N LEU A 37 -4.032 4.304 2.369 1.00 0.00 N ATOM 554 CA LEU A 37 -2.748 3.840 2.867 1.00 0.00 C ATOM 555 C LEU A 37 -2.978 2.806 3.971 1.00 0.00 C ATOM 556 O LEU A 37 -2.168 1.898 4.154 1.00 0.00 O ATOM 557 CB LEU A 37 -1.883 5.024 3.304 1.00 0.00 C ATOM 558 CG LEU A 37 -1.536 6.040 2.213 1.00 0.00 C ATOM 559 CD1 LEU A 37 -1.370 7.442 2.802 1.00 0.00 C ATOM 560 CD2 LEU A 37 -0.300 5.599 1.426 1.00 0.00 C ATOM 0 H LEU A 37 -4.197 5.304 2.483 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.189 3.342 2.074 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.398 5.547 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.953 4.635 3.720 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.367 6.083 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.124 8.144 2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.300 7.748 3.281 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.568 7.434 3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.075 6.338 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.550 5.510 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.493 4.634 0.956 1.00 0.00 H new ATOM 572 N LYS A 38 -4.085 2.977 4.677 1.00 0.00 N ATOM 573 CA LYS A 38 -4.431 2.070 5.758 1.00 0.00 C ATOM 574 C LYS A 38 -4.675 0.672 5.186 1.00 0.00 C ATOM 575 O LYS A 38 -3.934 -0.263 5.486 1.00 0.00 O ATOM 576 CB LYS A 38 -5.611 2.620 6.562 1.00 0.00 C ATOM 577 CG LYS A 38 -5.145 3.674 7.569 1.00 0.00 C ATOM 578 CD LYS A 38 -6.012 3.648 8.830 1.00 0.00 C ATOM 579 CE LYS A 38 -5.813 4.919 9.657 1.00 0.00 C ATOM 580 NZ LYS A 38 -6.732 4.932 10.818 1.00 0.00 N ATOM 0 H LYS A 38 -4.755 3.731 4.522 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.605 1.986 6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.344 3.058 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.109 1.805 7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.104 3.493 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.190 4.663 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.062 3.551 8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.759 2.775 9.432 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.781 4.977 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.991 5.796 9.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.584 5.802 11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.716 4.898 10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.543 4.105 11.420 1.00 0.00 H new ATOM 594 N LYS A 39 -5.716 0.573 4.373 1.00 0.00 N ATOM 595 CA LYS A 39 -6.067 -0.695 3.757 1.00 0.00 C ATOM 596 C LYS A 39 -4.796 -1.379 3.249 1.00 0.00 C ATOM 597 O LYS A 39 -4.581 -2.564 3.499 1.00 0.00 O ATOM 598 CB LYS A 39 -7.129 -0.490 2.675 1.00 0.00 C ATOM 599 CG LYS A 39 -8.538 -0.589 3.264 1.00 0.00 C ATOM 600 CD LYS A 39 -9.066 -2.022 3.184 1.00 0.00 C ATOM 601 CE LYS A 39 -10.569 -2.038 2.899 1.00 0.00 C ATOM 602 NZ LYS A 39 -11.246 -3.049 3.741 1.00 0.00 N ATOM 0 H LYS A 39 -6.328 1.351 4.126 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.518 -1.363 4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.994 0.486 2.208 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.005 -1.238 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.526 -0.260 4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.209 0.080 2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.538 -2.565 2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.865 -2.540 4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.992 -1.052 3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.743 -2.258 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.265 -3.046 3.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.854 -3.990 3.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -11.095 -2.822 4.745 1.00 0.00 H new ATOM 616 N LEU A 40 -3.986 -0.602 2.544 1.00 0.00 N ATOM 617 CA LEU A 40 -2.742 -1.118 1.998 1.00 0.00 C ATOM 618 C LEU A 40 -1.899 -1.708 3.131 1.00 0.00 C ATOM 619 O LEU A 40 -1.431 -2.841 3.036 1.00 0.00 O ATOM 620 CB LEU A 40 -2.020 -0.035 1.194 1.00 0.00 C ATOM 621 CG LEU A 40 -2.679 0.373 -0.125 1.00 0.00 C ATOM 622 CD1 LEU A 40 -1.979 1.589 -0.735 1.00 0.00 C ATOM 623 CD2 LEU A 40 -2.733 -0.806 -1.099 1.00 0.00 C ATOM 0 H LEU A 40 -4.167 0.381 2.339 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.941 -1.926 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.926 0.852 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.009 -0.382 0.980 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.708 0.665 0.084 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.467 1.858 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.037 2.428 -0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.933 1.349 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.206 -0.489 -2.028 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.721 -1.153 -1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.311 -1.617 -0.656 1.00 0.00 H new ATOM 635 N ASN A 41 -1.731 -0.912 4.177 1.00 0.00 N ATOM 636 CA ASN A 41 -0.953 -1.341 5.327 1.00 0.00 C ATOM 637 C ASN A 41 -1.574 -2.611 5.912 1.00 0.00 C ATOM 638 O ASN A 41 -0.895 -3.383 6.587 1.00 0.00 O ATOM 639 CB ASN A 41 -0.949 -0.270 6.419 1.00 0.00 C ATOM 640 CG ASN A 41 -0.337 -0.810 7.713 1.00 0.00 C ATOM 641 OD1 ASN A 41 0.556 -1.641 7.709 1.00 0.00 O ATOM 642 ND2 ASN A 41 -0.865 -0.292 8.819 1.00 0.00 N ATOM 0 H ASN A 41 -2.120 0.028 4.252 1.00 0.00 H new ATOM 0 HA ASN A 41 0.069 -1.521 4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.384 0.598 6.080 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.968 0.067 6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.524 -0.587 9.734 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.611 0.400 8.752 1.00 0.00 H new ATOM 649 N SER A 42 -2.856 -2.788 5.632 1.00 0.00 N ATOM 650 CA SER A 42 -3.576 -3.951 6.122 1.00 0.00 C ATOM 651 C SER A 42 -4.004 -4.834 4.949 1.00 0.00 C ATOM 652 O SER A 42 -5.100 -5.394 4.956 1.00 0.00 O ATOM 653 CB SER A 42 -4.796 -3.536 6.947 1.00 0.00 C ATOM 654 OG SER A 42 -4.914 -4.298 8.146 1.00 0.00 O ATOM 0 H SER A 42 -3.416 -2.145 5.072 1.00 0.00 H new ATOM 0 HA SER A 42 -2.908 -4.518 6.771 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.722 -2.477 7.196 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.698 -3.660 6.348 1.00 0.00 H new ATOM 0 HG SER A 42 -5.704 -4.002 8.645 1.00 0.00 H new ATOM 660 N CYS A 43 -3.118 -4.932 3.968 1.00 0.00 N ATOM 661 CA CYS A 43 -3.391 -5.737 2.790 1.00 0.00 C ATOM 662 C CYS A 43 -2.140 -6.558 2.470 1.00 0.00 C ATOM 663 O CYS A 43 -1.033 -6.022 2.437 1.00 0.00 O ATOM 664 CB CYS A 43 -3.828 -4.875 1.604 1.00 0.00 C ATOM 665 SG CYS A 43 -5.637 -4.606 1.659 1.00 0.00 S ATOM 0 H CYS A 43 -2.210 -4.467 3.965 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.225 -6.410 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.309 -3.917 1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.553 -5.362 0.669 1.00 0.00 H new ATOM 0 HG CYS A 43 -5.909 -3.654 2.502 1.00 0.00 H new ATOM 671 N GLN A 44 -2.358 -7.845 2.240 1.00 0.00 N ATOM 672 CA GLN A 44 -1.262 -8.744 1.923 1.00 0.00 C ATOM 673 C GLN A 44 -0.698 -8.425 0.537 1.00 0.00 C ATOM 674 O GLN A 44 -0.937 -9.162 -0.419 1.00 0.00 O ATOM 675 CB GLN A 44 -1.709 -10.205 2.010 1.00 0.00 C ATOM 676 CG GLN A 44 -1.228 -10.848 3.313 1.00 0.00 C ATOM 677 CD GLN A 44 -2.400 -11.450 4.092 1.00 0.00 C ATOM 678 OE1 GLN A 44 -3.305 -12.051 3.537 1.00 0.00 O ATOM 679 NE2 GLN A 44 -2.332 -11.255 5.406 1.00 0.00 N ATOM 0 H GLN A 44 -3.277 -8.286 2.267 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.471 -8.596 2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.796 -10.261 1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.316 -10.761 1.159 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.497 -11.625 3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.724 -10.102 3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.546 -10.743 5.806 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.066 -11.618 6.014 1.00 0.00 H new ATOM 688 N MET A 45 0.041 -7.327 0.472 1.00 0.00 N ATOM 689 CA MET A 45 0.641 -6.902 -0.781 1.00 0.00 C ATOM 690 C MET A 45 1.692 -7.908 -1.254 1.00 0.00 C ATOM 691 O MET A 45 2.301 -8.604 -0.443 1.00 0.00 O ATOM 692 CB MET A 45 1.294 -5.531 -0.595 1.00 0.00 C ATOM 693 CG MET A 45 1.939 -5.050 -1.896 1.00 0.00 C ATOM 694 SD MET A 45 0.679 -4.729 -3.119 1.00 0.00 S ATOM 695 CE MET A 45 -0.144 -3.339 -2.359 1.00 0.00 C ATOM 0 H MET A 45 0.238 -6.719 1.267 1.00 0.00 H new ATOM 0 HA MET A 45 -0.143 -6.842 -1.536 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.546 -4.809 -0.267 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.048 -5.587 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.518 -4.145 -1.712 1.00 0.00 H new ATOM 0 HG3 MET A 45 2.634 -5.803 -2.267 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.805 -2.866 -3.085 1.00 0.00 H new ATOM 0 HE2 MET A 45 -0.729 -3.684 -1.507 1.00 0.00 H new ATOM 0 HE3 MET A 45 0.599 -2.617 -2.020 1.00 0.00 H new ATOM 705 N SER A 46 1.872 -7.953 -2.566 1.00 0.00 N ATOM 706 CA SER A 46 2.839 -8.863 -3.158 1.00 0.00 C ATOM 707 C SER A 46 3.676 -8.127 -4.206 1.00 0.00 C ATOM 708 O SER A 46 3.291 -7.056 -4.673 1.00 0.00 O ATOM 709 CB SER A 46 2.144 -10.072 -3.786 1.00 0.00 C ATOM 710 OG SER A 46 0.912 -9.717 -4.407 1.00 0.00 O ATOM 0 H SER A 46 1.365 -7.374 -3.236 1.00 0.00 H new ATOM 0 HA SER A 46 3.496 -9.226 -2.368 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.804 -10.526 -4.525 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.960 -10.823 -3.018 1.00 0.00 H new ATOM 0 HG SER A 46 0.356 -10.517 -4.511 1.00 0.00 H new ATOM 716 N ILE A 47 4.805 -8.731 -4.546 1.00 0.00 N ATOM 717 CA ILE A 47 5.700 -8.147 -5.530 1.00 0.00 C ATOM 718 C ILE A 47 4.989 -8.083 -6.884 1.00 0.00 C ATOM 719 O ILE A 47 5.048 -7.065 -7.572 1.00 0.00 O ATOM 720 CB ILE A 47 7.027 -8.908 -5.567 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.782 -8.757 -4.245 1.00 0.00 C ATOM 722 CG2 ILE A 47 7.875 -8.474 -6.765 1.00 0.00 C ATOM 723 CD1 ILE A 47 8.782 -9.899 -4.052 1.00 0.00 C ATOM 0 H ILE A 47 5.121 -9.620 -4.157 1.00 0.00 H new ATOM 0 HA ILE A 47 5.955 -7.124 -5.254 1.00 0.00 H new ATOM 0 HB ILE A 47 6.810 -9.968 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.307 -7.802 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.074 -8.745 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.813 -9.030 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.331 -8.675 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.086 -7.407 -6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.305 -9.768 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.251 -10.851 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.503 -9.893 -4.869 1.00 0.00 H new ATOM 735 N GLN A 48 4.335 -9.183 -7.225 1.00 0.00 N ATOM 736 CA GLN A 48 3.614 -9.265 -8.484 1.00 0.00 C ATOM 737 C GLN A 48 2.515 -8.202 -8.536 1.00 0.00 C ATOM 738 O GLN A 48 2.360 -7.513 -9.544 1.00 0.00 O ATOM 739 CB GLN A 48 3.034 -10.665 -8.694 1.00 0.00 C ATOM 740 CG GLN A 48 2.784 -10.938 -10.178 1.00 0.00 C ATOM 741 CD GLN A 48 2.035 -12.258 -10.374 1.00 0.00 C ATOM 742 OE1 GLN A 48 1.702 -12.959 -9.432 1.00 0.00 O ATOM 743 NE2 GLN A 48 1.789 -12.557 -11.647 1.00 0.00 N ATOM 0 H GLN A 48 4.289 -10.025 -6.651 1.00 0.00 H new ATOM 0 HA GLN A 48 4.316 -9.074 -9.296 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.721 -11.411 -8.294 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.100 -10.762 -8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.207 -10.120 -10.610 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.735 -10.973 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.095 -11.926 -12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.294 -13.417 -11.882 1.00 0.00 H new ATOM 752 N LEU A 49 1.780 -8.102 -7.438 1.00 0.00 N ATOM 753 CA LEU A 49 0.700 -7.135 -7.347 1.00 0.00 C ATOM 754 C LEU A 49 1.288 -5.724 -7.274 1.00 0.00 C ATOM 755 O LEU A 49 0.732 -4.786 -7.842 1.00 0.00 O ATOM 756 CB LEU A 49 -0.226 -7.475 -6.177 1.00 0.00 C ATOM 757 CG LEU A 49 -1.002 -8.789 -6.296 1.00 0.00 C ATOM 758 CD1 LEU A 49 -1.806 -9.068 -5.025 1.00 0.00 C ATOM 759 CD2 LEU A 49 -1.884 -8.794 -7.546 1.00 0.00 C ATOM 0 H LEU A 49 1.911 -8.675 -6.604 1.00 0.00 H new ATOM 0 HA LEU A 49 0.077 -7.176 -8.240 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.371 -7.510 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.943 -6.662 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.284 -9.601 -6.407 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.348 -10.007 -5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.129 -9.138 -4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.515 -8.257 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.424 -9.739 -7.606 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.597 -7.971 -7.492 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.260 -8.676 -8.432 1.00 0.00 H new ATOM 771 N LEU A 50 2.406 -5.620 -6.570 1.00 0.00 N ATOM 772 CA LEU A 50 3.076 -4.340 -6.416 1.00 0.00 C ATOM 773 C LEU A 50 3.346 -3.740 -7.798 1.00 0.00 C ATOM 774 O LEU A 50 3.429 -2.522 -7.944 1.00 0.00 O ATOM 775 CB LEU A 50 4.332 -4.493 -5.556 1.00 0.00 C ATOM 776 CG LEU A 50 4.211 -4.031 -4.103 1.00 0.00 C ATOM 777 CD1 LEU A 50 5.147 -4.830 -3.194 1.00 0.00 C ATOM 778 CD2 LEU A 50 4.446 -2.524 -3.985 1.00 0.00 C ATOM 0 H LEU A 50 2.864 -6.401 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 50 2.436 -3.637 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.625 -5.543 -5.559 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.141 -3.935 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 50 3.192 -4.225 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.041 -4.482 -2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.890 -5.888 -3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.178 -4.690 -3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.354 -2.222 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.446 -2.282 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.706 -1.992 -4.583 1.00 0.00 H new ATOM 790 N GLN A 51 3.475 -4.625 -8.776 1.00 0.00 N ATOM 791 CA GLN A 51 3.734 -4.198 -10.141 1.00 0.00 C ATOM 792 C GLN A 51 2.417 -3.914 -10.866 1.00 0.00 C ATOM 793 O GLN A 51 2.153 -2.778 -11.259 1.00 0.00 O ATOM 794 CB GLN A 51 4.561 -5.242 -10.894 1.00 0.00 C ATOM 795 CG GLN A 51 6.047 -5.114 -10.553 1.00 0.00 C ATOM 796 CD GLN A 51 6.918 -5.627 -11.701 1.00 0.00 C ATOM 797 OE1 GLN A 51 6.828 -5.178 -12.832 1.00 0.00 O ATOM 798 NE2 GLN A 51 7.765 -6.591 -11.349 1.00 0.00 N ATOM 0 H GLN A 51 3.405 -5.635 -8.651 1.00 0.00 H new ATOM 0 HA GLN A 51 4.315 -3.276 -10.110 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.210 -6.242 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.419 -5.119 -11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.288 -4.071 -10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.266 -5.677 -9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.789 -6.921 -10.384 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.390 -7.000 -12.044 1.00 0.00 H new ATOM 807 N THR A 52 1.626 -4.965 -11.023 1.00 0.00 N ATOM 808 CA THR A 52 0.343 -4.842 -11.695 1.00 0.00 C ATOM 809 C THR A 52 -0.404 -3.604 -11.195 1.00 0.00 C ATOM 810 O THR A 52 -0.762 -2.731 -11.984 1.00 0.00 O ATOM 811 CB THR A 52 -0.429 -6.145 -11.481 1.00 0.00 C ATOM 812 OG1 THR A 52 -0.622 -6.207 -10.070 1.00 0.00 O ATOM 813 CG2 THR A 52 0.413 -7.384 -11.797 1.00 0.00 C ATOM 0 H THR A 52 1.848 -5.905 -10.697 1.00 0.00 H new ATOM 0 HA THR A 52 0.470 -4.695 -12.768 1.00 0.00 H new ATOM 0 HB THR A 52 -1.322 -6.144 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.319 -6.864 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.183 -8.281 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.733 -7.351 -12.839 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.289 -7.403 -11.149 1.00 0.00 H new ATOM 821 N THR A 53 -0.618 -3.568 -9.888 1.00 0.00 N ATOM 822 CA THR A 53 -1.316 -2.452 -9.274 1.00 0.00 C ATOM 823 C THR A 53 -0.454 -1.190 -9.327 1.00 0.00 C ATOM 824 O THR A 53 -0.970 -0.088 -9.507 1.00 0.00 O ATOM 825 CB THR A 53 -1.707 -2.862 -7.853 1.00 0.00 C ATOM 826 OG1 THR A 53 -0.477 -2.833 -7.133 1.00 0.00 O ATOM 827 CG2 THR A 53 -2.154 -4.323 -7.767 1.00 0.00 C ATOM 0 H THR A 53 -0.320 -4.294 -9.237 1.00 0.00 H new ATOM 0 HA THR A 53 -2.228 -2.208 -9.819 1.00 0.00 H new ATOM 0 HB THR A 53 -2.509 -2.215 -7.496 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.107 -3.739 -7.081 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.420 -4.562 -6.737 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.020 -4.477 -8.411 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.341 -4.972 -8.091 1.00 0.00 H new ATOM 835 N ARG A 54 0.846 -1.392 -9.166 1.00 0.00 N ATOM 836 CA ARG A 54 1.785 -0.284 -9.193 1.00 0.00 C ATOM 837 C ARG A 54 1.488 0.691 -8.052 1.00 0.00 C ATOM 838 O ARG A 54 1.644 1.902 -8.209 1.00 0.00 O ATOM 839 CB ARG A 54 1.716 0.465 -10.526 1.00 0.00 C ATOM 840 CG ARG A 54 2.782 -0.046 -11.497 1.00 0.00 C ATOM 841 CD ARG A 54 3.720 1.085 -11.925 1.00 0.00 C ATOM 842 NE ARG A 54 5.002 0.524 -12.407 1.00 0.00 N ATOM 843 CZ ARG A 54 5.209 0.093 -13.659 1.00 0.00 C ATOM 844 NH1 ARG A 54 4.221 0.156 -14.562 1.00 0.00 N ATOM 845 NH2 ARG A 54 6.405 -0.401 -14.008 1.00 0.00 N ATOM 0 H ARG A 54 1.271 -2.307 -9.016 1.00 0.00 H new ATOM 0 HA ARG A 54 2.787 -0.696 -9.072 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.727 0.340 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.856 1.532 -10.355 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.358 -0.842 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.302 -0.478 -12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.254 1.677 -12.712 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.900 1.757 -11.086 1.00 0.00 H new ATOM 0 HE ARG A 54 5.776 0.462 -11.745 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.311 0.532 -14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.379 -0.172 -15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.157 -0.449 -13.321 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.563 -0.729 -14.961 1.00 0.00 H new ATOM 859 N ILE A 55 1.065 0.128 -6.930 1.00 0.00 N ATOM 860 CA ILE A 55 0.744 0.933 -5.763 1.00 0.00 C ATOM 861 C ILE A 55 2.029 1.551 -5.207 1.00 0.00 C ATOM 862 O ILE A 55 1.977 2.469 -4.390 1.00 0.00 O ATOM 863 CB ILE A 55 -0.034 0.106 -4.739 1.00 0.00 C ATOM 864 CG1 ILE A 55 -0.678 1.006 -3.682 1.00 0.00 C ATOM 865 CG2 ILE A 55 0.856 -0.969 -4.111 1.00 0.00 C ATOM 866 CD1 ILE A 55 -2.120 1.348 -4.059 1.00 0.00 C ATOM 0 H ILE A 55 0.937 -0.876 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 55 0.086 1.757 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.842 -0.409 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.660 0.506 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.098 1.923 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.278 -1.542 -3.387 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.226 -1.636 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.699 -0.495 -3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.555 1.988 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.132 1.869 -5.016 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.703 0.430 -4.138 1.00 0.00 H new ATOM 878 N GLY A 56 3.152 1.022 -5.671 1.00 0.00 N ATOM 879 CA GLY A 56 4.447 1.509 -5.230 1.00 0.00 C ATOM 880 C GLY A 56 4.658 2.965 -5.652 1.00 0.00 C ATOM 881 O GLY A 56 5.366 3.713 -4.980 1.00 0.00 O ATOM 0 H GLY A 56 3.191 0.260 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.520 1.427 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 56 5.236 0.886 -5.651 1.00 0.00 H new ATOM 885 N VAL A 57 4.029 3.323 -6.762 1.00 0.00 N ATOM 886 CA VAL A 57 4.139 4.675 -7.281 1.00 0.00 C ATOM 887 C VAL A 57 3.006 5.530 -6.709 1.00 0.00 C ATOM 888 O VAL A 57 3.149 6.743 -6.569 1.00 0.00 O ATOM 889 CB VAL A 57 4.155 4.649 -8.811 1.00 0.00 C ATOM 890 CG1 VAL A 57 2.880 4.005 -9.361 1.00 0.00 C ATOM 891 CG2 VAL A 57 4.349 6.055 -9.381 1.00 0.00 C ATOM 0 H VAL A 57 3.442 2.700 -7.316 1.00 0.00 H new ATOM 0 HA VAL A 57 5.079 5.129 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 57 5.002 4.040 -9.127 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.916 3.999 -10.450 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.802 2.981 -8.995 1.00 0.00 H new ATOM 0 HG13 VAL A 57 2.012 4.576 -9.030 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.357 6.008 -10.470 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.532 6.697 -9.051 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.296 6.463 -9.029 1.00 0.00 H new ATOM 901 N ALA A 58 1.906 4.863 -6.394 1.00 0.00 N ATOM 902 CA ALA A 58 0.749 5.546 -5.841 1.00 0.00 C ATOM 903 C ALA A 58 1.109 6.119 -4.469 1.00 0.00 C ATOM 904 O ALA A 58 1.010 7.325 -4.251 1.00 0.00 O ATOM 905 CB ALA A 58 -0.434 4.577 -5.776 1.00 0.00 C ATOM 0 H ALA A 58 1.791 3.856 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 58 0.453 6.379 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.302 5.090 -5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.668 4.221 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.176 3.729 -5.141 1.00 0.00 H new ATOM 911 N VAL A 59 1.518 5.227 -3.579 1.00 0.00 N ATOM 912 CA VAL A 59 1.893 5.629 -2.234 1.00 0.00 C ATOM 913 C VAL A 59 2.909 6.770 -2.312 1.00 0.00 C ATOM 914 O VAL A 59 2.608 7.900 -1.931 1.00 0.00 O ATOM 915 CB VAL A 59 2.412 4.420 -1.452 1.00 0.00 C ATOM 916 CG1 VAL A 59 2.898 4.834 -0.062 1.00 0.00 C ATOM 917 CG2 VAL A 59 1.343 3.329 -1.357 1.00 0.00 C ATOM 0 H VAL A 59 1.598 4.227 -3.763 1.00 0.00 H new ATOM 0 HA VAL A 59 1.025 6.003 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 59 3.263 4.009 -1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.261 3.956 0.473 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.706 5.559 -0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.074 5.282 0.493 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.737 2.481 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.464 3.724 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.065 3.004 -2.359 1.00 0.00 H new ATOM 927 N ASN A 60 4.091 6.435 -2.808 1.00 0.00 N ATOM 928 CA ASN A 60 5.153 7.418 -2.941 1.00 0.00 C ATOM 929 C ASN A 60 4.557 8.745 -3.416 1.00 0.00 C ATOM 930 O ASN A 60 4.708 9.770 -2.753 1.00 0.00 O ATOM 931 CB ASN A 60 6.192 6.971 -3.971 1.00 0.00 C ATOM 932 CG ASN A 60 7.415 7.890 -3.951 1.00 0.00 C ATOM 933 OD1 ASN A 60 7.479 8.896 -4.639 1.00 0.00 O ATOM 934 ND2 ASN A 60 8.378 7.490 -3.126 1.00 0.00 N ATOM 0 H ASN A 60 4.337 5.496 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 60 5.634 7.529 -1.969 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.499 5.946 -3.762 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.747 6.973 -4.966 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.235 8.036 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.259 6.637 -2.579 1.00 0.00 H new ATOM 941 N GLY A 61 3.892 8.683 -4.561 1.00 0.00 N ATOM 942 CA GLY A 61 3.273 9.867 -5.132 1.00 0.00 C ATOM 943 C GLY A 61 2.677 10.756 -4.038 1.00 0.00 C ATOM 944 O GLY A 61 2.868 11.971 -4.049 1.00 0.00 O ATOM 0 H GLY A 61 3.769 7.831 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.013 10.430 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 61 2.491 9.571 -5.832 1.00 0.00 H new ATOM 948 N VAL A 62 1.968 10.115 -3.121 1.00 0.00 N ATOM 949 CA VAL A 62 1.343 10.833 -2.022 1.00 0.00 C ATOM 950 C VAL A 62 2.429 11.399 -1.105 1.00 0.00 C ATOM 951 O VAL A 62 2.417 12.585 -0.781 1.00 0.00 O ATOM 952 CB VAL A 62 0.361 9.917 -1.290 1.00 0.00 C ATOM 953 CG1 VAL A 62 -0.661 10.732 -0.496 1.00 0.00 C ATOM 954 CG2 VAL A 62 -0.336 8.967 -2.268 1.00 0.00 C ATOM 0 H VAL A 62 1.812 9.107 -3.116 1.00 0.00 H new ATOM 0 HA VAL A 62 0.763 11.676 -2.398 1.00 0.00 H new ATOM 0 HB VAL A 62 0.930 9.313 -0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.347 10.057 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.143 11.348 0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.222 11.373 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.029 8.327 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.886 9.547 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.410 8.350 -2.770 1.00 0.00 H new ATOM 964 N ARG A 63 3.343 10.523 -0.712 1.00 0.00 N ATOM 965 CA ARG A 63 4.434 10.921 0.161 1.00 0.00 C ATOM 966 C ARG A 63 5.064 12.223 -0.336 1.00 0.00 C ATOM 967 O ARG A 63 5.710 12.936 0.430 1.00 0.00 O ATOM 968 CB ARG A 63 5.510 9.835 0.227 1.00 0.00 C ATOM 969 CG ARG A 63 5.897 9.535 1.677 1.00 0.00 C ATOM 970 CD ARG A 63 7.134 8.636 1.739 1.00 0.00 C ATOM 971 NE ARG A 63 8.248 9.353 2.398 1.00 0.00 N ATOM 972 CZ ARG A 63 9.124 10.136 1.753 1.00 0.00 C ATOM 973 NH1 ARG A 63 9.020 10.307 0.428 1.00 0.00 N ATOM 974 NH2 ARG A 63 10.104 10.748 2.433 1.00 0.00 N ATOM 0 H ARG A 63 3.350 9.539 -0.982 1.00 0.00 H new ATOM 0 HA ARG A 63 4.022 11.071 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.145 8.926 -0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.391 10.156 -0.329 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.094 10.468 2.205 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.064 9.050 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.903 7.723 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.428 8.337 0.733 1.00 0.00 H new ATOM 0 HE ARG A 63 8.356 9.245 3.406 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.274 9.841 -0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.686 10.903 -0.063 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.183 10.618 3.442 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.770 11.344 1.942 1.00 0.00 H new ATOM 988 N LYS A 64 4.854 12.495 -1.616 1.00 0.00 N ATOM 989 CA LYS A 64 5.393 13.699 -2.224 1.00 0.00 C ATOM 990 C LYS A 64 4.284 14.746 -2.343 1.00 0.00 C ATOM 991 O LYS A 64 4.518 15.932 -2.116 1.00 0.00 O ATOM 992 CB LYS A 64 6.073 13.369 -3.554 1.00 0.00 C ATOM 993 CG LYS A 64 6.085 14.587 -4.481 1.00 0.00 C ATOM 994 CD LYS A 64 6.643 14.223 -5.858 1.00 0.00 C ATOM 995 CE LYS A 64 7.750 15.194 -6.274 1.00 0.00 C ATOM 996 NZ LYS A 64 7.585 15.591 -7.690 1.00 0.00 N ATOM 0 H LYS A 64 4.318 11.901 -2.249 1.00 0.00 H new ATOM 0 HA LYS A 64 6.171 14.129 -1.593 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.095 13.036 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.551 12.544 -4.039 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.073 14.978 -4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.688 15.379 -4.038 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.035 13.206 -5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.841 14.242 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.725 16.078 -5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.724 14.726 -6.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.344 16.250 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.631 14.746 -8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.663 16.056 -7.815 1.00 0.00 H new ATOM 1010 N HIS A 65 3.100 14.269 -2.698 1.00 0.00 N ATOM 1011 CA HIS A 65 1.953 15.149 -2.849 1.00 0.00 C ATOM 1012 C HIS A 65 1.240 15.299 -1.504 1.00 0.00 C ATOM 1013 O HIS A 65 0.082 15.711 -1.454 1.00 0.00 O ATOM 1014 CB HIS A 65 1.027 14.648 -3.959 1.00 0.00 C ATOM 1015 CG HIS A 65 1.643 14.685 -5.337 1.00 0.00 C ATOM 1016 ND1 HIS A 65 2.840 14.214 -5.791 1.00 0.00 N flip ATOM 1017 CD2 HIS A 65 1.012 15.260 -6.426 1.00 0.00 C flip ATOM 1018 CE1 HIS A 65 2.934 14.485 -7.087 1.00 0.00 C flip ATOM 1019 NE2 HIS A 65 1.801 15.134 -7.483 1.00 0.00 N flip ATOM 0 H HIS A 65 2.910 13.285 -2.885 1.00 0.00 H new ATOM 0 HA HIS A 65 2.288 16.140 -3.155 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.727 13.624 -3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 65 0.120 15.252 -3.962 1.00 0.00 H new ATOM 0 HD1 HIS A 65 3.544 13.735 -5.230 1.00 0.00 H new ATOM 0 HD2 HIS A 65 0.041 15.732 -6.416 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.770 14.233 -7.723 1.00 0.00 H new ATOM 1027 N CYS A 66 1.961 14.955 -0.447 1.00 0.00 N ATOM 1028 CA CYS A 66 1.411 15.046 0.895 1.00 0.00 C ATOM 1029 C CYS A 66 2.564 15.290 1.871 1.00 0.00 C ATOM 1030 O CYS A 66 3.727 15.086 1.527 1.00 0.00 O ATOM 1031 CB CYS A 66 0.607 13.798 1.263 1.00 0.00 C ATOM 1032 SG CYS A 66 -1.181 14.190 1.286 1.00 0.00 S ATOM 0 H CYS A 66 2.921 14.613 -0.493 1.00 0.00 H new ATOM 0 HA CYS A 66 0.709 15.878 0.947 1.00 0.00 H new ATOM 0 HB2 CYS A 66 0.804 13.003 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.919 13.429 2.240 1.00 0.00 H new ATOM 0 HG CYS A 66 -1.441 15.084 0.379 1.00 0.00 H new ATOM 1038 N SER A 67 2.201 15.724 3.069 1.00 0.00 N ATOM 1039 CA SER A 67 3.191 15.999 4.097 1.00 0.00 C ATOM 1040 C SER A 67 2.500 16.208 5.446 1.00 0.00 C ATOM 1041 O SER A 67 2.903 17.069 6.227 1.00 0.00 O ATOM 1042 CB SER A 67 4.034 17.223 3.737 1.00 0.00 C ATOM 1043 OG SER A 67 5.408 16.891 3.556 1.00 0.00 O ATOM 0 H SER A 67 1.235 15.892 3.351 1.00 0.00 H new ATOM 0 HA SER A 67 3.859 15.140 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.647 17.674 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.943 17.971 4.525 1.00 0.00 H new ATOM 0 HG SER A 67 5.912 17.699 3.326 1.00 0.00 H new ATOM 1049 N ASP A 68 1.471 15.406 5.678 1.00 0.00 N ATOM 1050 CA ASP A 68 0.720 15.493 6.919 1.00 0.00 C ATOM 1051 C ASP A 68 1.406 14.637 7.986 1.00 0.00 C ATOM 1052 O ASP A 68 0.842 14.398 9.052 1.00 0.00 O ATOM 1053 CB ASP A 68 -0.706 14.970 6.738 1.00 0.00 C ATOM 1054 CG ASP A 68 -1.752 16.041 6.421 1.00 0.00 C ATOM 1055 OD1 ASP A 68 -1.333 17.126 5.963 1.00 0.00 O ATOM 1056 OD2 ASP A 68 -2.947 15.750 6.644 1.00 0.00 O ATOM 0 H ASP A 68 1.140 14.693 5.028 1.00 0.00 H new ATOM 0 HA ASP A 68 0.684 16.540 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.707 14.233 5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.005 14.450 7.648 1.00 0.00 H new ATOM 1061 N LYS A 69 2.614 14.199 7.661 1.00 0.00 N ATOM 1062 CA LYS A 69 3.382 13.374 8.578 1.00 0.00 C ATOM 1063 C LYS A 69 2.738 11.990 8.675 1.00 0.00 C ATOM 1064 O LYS A 69 3.382 10.981 8.393 1.00 0.00 O ATOM 1065 CB LYS A 69 3.537 14.076 9.929 1.00 0.00 C ATOM 1066 CG LYS A 69 4.854 14.851 9.997 1.00 0.00 C ATOM 1067 CD LYS A 69 5.911 14.069 10.779 1.00 0.00 C ATOM 1068 CE LYS A 69 7.264 14.780 10.735 1.00 0.00 C ATOM 1069 NZ LYS A 69 8.220 14.134 11.662 1.00 0.00 N ATOM 0 H LYS A 69 3.079 14.400 6.776 1.00 0.00 H new ATOM 0 HA LYS A 69 4.395 13.229 8.202 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.701 14.758 10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.503 13.339 10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.216 15.049 8.988 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.687 15.818 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.591 13.953 11.814 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.009 13.067 10.362 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.661 14.757 9.720 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.139 15.829 11.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.133 14.629 11.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.847 14.178 12.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.352 13.140 11.387 1.00 0.00 H new ATOM 1083 N GLU A 70 1.474 11.987 9.074 1.00 0.00 N ATOM 1084 CA GLU A 70 0.736 10.743 9.211 1.00 0.00 C ATOM 1085 C GLU A 70 0.513 10.104 7.838 1.00 0.00 C ATOM 1086 O GLU A 70 0.851 8.940 7.630 1.00 0.00 O ATOM 1087 CB GLU A 70 -0.594 10.971 9.932 1.00 0.00 C ATOM 1088 CG GLU A 70 -0.365 11.387 11.386 1.00 0.00 C ATOM 1089 CD GLU A 70 -0.788 12.840 11.614 1.00 0.00 C ATOM 1090 OE1 GLU A 70 -1.992 13.117 11.427 1.00 0.00 O ATOM 1091 OE2 GLU A 70 0.103 13.641 11.971 1.00 0.00 O ATOM 0 H GLU A 70 0.943 12.826 9.307 1.00 0.00 H new ATOM 0 HA GLU A 70 1.328 10.057 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.165 11.742 9.415 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.190 10.059 9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.930 10.732 12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.688 11.267 11.641 1.00 0.00 H new ATOM 1098 N VAL A 71 -0.054 10.894 6.938 1.00 0.00 N ATOM 1099 CA VAL A 71 -0.326 10.420 5.592 1.00 0.00 C ATOM 1100 C VAL A 71 0.981 9.959 4.944 1.00 0.00 C ATOM 1101 O VAL A 71 0.976 9.081 4.083 1.00 0.00 O ATOM 1102 CB VAL A 71 -1.041 11.508 4.789 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -0.910 11.255 3.285 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -2.510 11.618 5.200 1.00 0.00 C ATOM 0 H VAL A 71 -0.332 11.859 7.115 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.996 9.561 5.618 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.559 12.460 5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.427 12.043 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.144 11.251 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.354 10.290 3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.994 12.399 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.010 10.666 5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.574 11.867 6.259 1.00 0.00 H new ATOM 1114 N VAL A 72 2.070 10.573 5.384 1.00 0.00 N ATOM 1115 CA VAL A 72 3.383 10.237 4.858 1.00 0.00 C ATOM 1116 C VAL A 72 3.926 9.013 5.597 1.00 0.00 C ATOM 1117 O VAL A 72 4.344 8.040 4.972 1.00 0.00 O ATOM 1118 CB VAL A 72 4.309 11.451 4.949 1.00 0.00 C ATOM 1119 CG1 VAL A 72 5.768 11.017 5.102 1.00 0.00 C ATOM 1120 CG2 VAL A 72 4.134 12.367 3.736 1.00 0.00 C ATOM 0 H VAL A 72 2.070 11.301 6.099 1.00 0.00 H new ATOM 0 HA VAL A 72 3.316 9.975 3.802 1.00 0.00 H new ATOM 0 HB VAL A 72 4.032 12.017 5.839 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.405 11.899 5.164 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.878 10.425 6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 72 6.062 10.418 4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.804 13.222 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.370 11.815 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.103 12.717 3.690 1.00 0.00 H new ATOM 1130 N SER A 73 3.903 9.102 6.919 1.00 0.00 N ATOM 1131 CA SER A 73 4.388 8.014 7.751 1.00 0.00 C ATOM 1132 C SER A 73 3.962 6.670 7.155 1.00 0.00 C ATOM 1133 O SER A 73 4.806 5.869 6.756 1.00 0.00 O ATOM 1134 CB SER A 73 3.873 8.145 9.186 1.00 0.00 C ATOM 1135 OG SER A 73 4.572 7.288 10.084 1.00 0.00 O ATOM 0 H SER A 73 3.556 9.911 7.434 1.00 0.00 H new ATOM 0 HA SER A 73 5.476 8.064 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.978 9.179 9.516 1.00 0.00 H new ATOM 0 HB3 SER A 73 2.809 7.908 9.213 1.00 0.00 H new ATOM 0 HG SER A 73 4.215 7.402 10.990 1.00 0.00 H new ATOM 1141 N LEU A 74 2.654 6.465 7.114 1.00 0.00 N ATOM 1142 CA LEU A 74 2.106 5.232 6.574 1.00 0.00 C ATOM 1143 C LEU A 74 2.729 4.960 5.203 1.00 0.00 C ATOM 1144 O LEU A 74 3.229 3.865 4.951 1.00 0.00 O ATOM 1145 CB LEU A 74 0.577 5.288 6.555 1.00 0.00 C ATOM 1146 CG LEU A 74 -0.145 4.095 7.185 1.00 0.00 C ATOM 1147 CD1 LEU A 74 0.362 3.834 8.604 1.00 0.00 C ATOM 1148 CD2 LEU A 74 -1.662 4.290 7.145 1.00 0.00 C ATOM 0 H LEU A 74 1.957 7.132 7.446 1.00 0.00 H new ATOM 0 HA LEU A 74 2.363 4.388 7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.260 6.194 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.249 5.380 5.520 1.00 0.00 H new ATOM 0 HG LEU A 74 0.082 3.207 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.168 2.981 9.028 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.430 3.620 8.575 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.185 4.715 9.221 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.152 3.428 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.928 5.191 7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.989 4.390 6.110 1.00 0.00 H new ATOM 1160 N ALA A 75 2.677 5.975 4.353 1.00 0.00 N ATOM 1161 CA ALA A 75 3.229 5.860 3.015 1.00 0.00 C ATOM 1162 C ALA A 75 4.629 5.248 3.096 1.00 0.00 C ATOM 1163 O ALA A 75 4.970 4.362 2.313 1.00 0.00 O ATOM 1164 CB ALA A 75 3.232 7.234 2.343 1.00 0.00 C ATOM 0 H ALA A 75 2.261 6.881 4.566 1.00 0.00 H new ATOM 0 HA ALA A 75 2.615 5.199 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.647 7.147 1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.211 7.612 2.283 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.840 7.924 2.928 1.00 0.00 H new ATOM 1170 N LYS A 76 5.402 5.744 4.051 1.00 0.00 N ATOM 1171 CA LYS A 76 6.757 5.257 4.245 1.00 0.00 C ATOM 1172 C LYS A 76 6.717 3.761 4.564 1.00 0.00 C ATOM 1173 O LYS A 76 7.379 2.963 3.902 1.00 0.00 O ATOM 1174 CB LYS A 76 7.480 6.092 5.305 1.00 0.00 C ATOM 1175 CG LYS A 76 7.034 7.554 5.249 1.00 0.00 C ATOM 1176 CD LYS A 76 8.197 8.495 5.569 1.00 0.00 C ATOM 1177 CE LYS A 76 8.557 8.435 7.055 1.00 0.00 C ATOM 1178 NZ LYS A 76 9.946 7.957 7.232 1.00 0.00 N ATOM 0 H LYS A 76 5.116 6.478 4.699 1.00 0.00 H new ATOM 0 HA LYS A 76 7.337 5.373 3.330 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.277 5.684 6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 76 8.557 6.030 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.641 7.780 4.258 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.223 7.718 5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.066 8.223 4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 76 7.929 9.516 5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.446 9.423 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.868 7.770 7.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.175 7.922 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.041 7.006 6.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.601 8.607 6.752 1.00 0.00 H new ATOM 1192 N VAL A 77 5.932 3.426 5.578 1.00 0.00 N ATOM 1193 CA VAL A 77 5.796 2.040 5.992 1.00 0.00 C ATOM 1194 C VAL A 77 5.478 1.176 4.771 1.00 0.00 C ATOM 1195 O VAL A 77 5.988 0.064 4.642 1.00 0.00 O ATOM 1196 CB VAL A 77 4.744 1.925 7.097 1.00 0.00 C ATOM 1197 CG1 VAL A 77 4.344 0.465 7.323 1.00 0.00 C ATOM 1198 CG2 VAL A 77 5.240 2.564 8.395 1.00 0.00 C ATOM 0 H VAL A 77 5.384 4.090 6.125 1.00 0.00 H new ATOM 0 HA VAL A 77 6.732 1.674 6.414 1.00 0.00 H new ATOM 0 HB VAL A 77 3.857 2.470 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.595 0.411 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.930 0.054 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.222 -0.112 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.473 2.468 9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.149 2.060 8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.452 3.619 8.223 1.00 0.00 H new ATOM 1208 N LEU A 78 4.636 1.720 3.904 1.00 0.00 N ATOM 1209 CA LEU A 78 4.243 1.012 2.697 1.00 0.00 C ATOM 1210 C LEU A 78 5.439 0.932 1.746 1.00 0.00 C ATOM 1211 O LEU A 78 5.528 0.015 0.931 1.00 0.00 O ATOM 1212 CB LEU A 78 3.005 1.661 2.075 1.00 0.00 C ATOM 1213 CG LEU A 78 1.687 1.442 2.820 1.00 0.00 C ATOM 1214 CD1 LEU A 78 0.557 2.257 2.186 1.00 0.00 C ATOM 1215 CD2 LEU A 78 1.344 -0.046 2.902 1.00 0.00 C ATOM 0 H LEU A 78 4.215 2.643 4.013 1.00 0.00 H new ATOM 0 HA LEU A 78 3.953 -0.012 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.182 2.734 1.998 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.892 1.282 1.059 1.00 0.00 H new ATOM 0 HG LEU A 78 1.809 1.801 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.369 2.083 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.808 3.317 2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.426 1.952 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.403 -0.173 3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.248 -0.453 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.137 -0.573 3.433 1.00 0.00 H new ATOM 1227 N ILE A 79 6.329 1.904 1.882 1.00 0.00 N ATOM 1228 CA ILE A 79 7.516 1.955 1.045 1.00 0.00 C ATOM 1229 C ILE A 79 8.579 1.017 1.619 1.00 0.00 C ATOM 1230 O ILE A 79 9.377 0.447 0.875 1.00 0.00 O ATOM 1231 CB ILE A 79 7.994 3.399 0.880 1.00 0.00 C ATOM 1232 CG1 ILE A 79 7.385 4.038 -0.369 1.00 0.00 C ATOM 1233 CG2 ILE A 79 9.522 3.473 0.876 1.00 0.00 C ATOM 1234 CD1 ILE A 79 6.060 4.729 -0.042 1.00 0.00 C ATOM 0 H ILE A 79 6.252 2.663 2.559 1.00 0.00 H new ATOM 0 HA ILE A 79 7.289 1.603 0.039 1.00 0.00 H new ATOM 0 HB ILE A 79 7.646 3.975 1.738 1.00 0.00 H new ATOM 0 HG12 ILE A 79 8.083 4.763 -0.788 1.00 0.00 H new ATOM 0 HG13 ILE A 79 7.223 3.275 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 79 9.836 4.510 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 79 9.908 3.083 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 79 9.913 2.879 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.649 5.175 -0.948 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.356 3.997 0.354 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.230 5.508 0.701 1.00 0.00 H new ATOM 1246 N LYS A 80 8.557 0.884 2.937 1.00 0.00 N ATOM 1247 CA LYS A 80 9.510 0.025 3.619 1.00 0.00 C ATOM 1248 C LYS A 80 9.011 -1.420 3.572 1.00 0.00 C ATOM 1249 O LYS A 80 9.629 -2.273 2.935 1.00 0.00 O ATOM 1250 CB LYS A 80 9.775 0.538 5.036 1.00 0.00 C ATOM 1251 CG LYS A 80 10.890 -0.266 5.710 1.00 0.00 C ATOM 1252 CD LYS A 80 10.693 -0.310 7.227 1.00 0.00 C ATOM 1253 CE LYS A 80 11.895 0.298 7.953 1.00 0.00 C ATOM 1254 NZ LYS A 80 12.664 -0.755 8.653 1.00 0.00 N ATOM 0 H LYS A 80 7.894 1.357 3.551 1.00 0.00 H new ATOM 0 HA LYS A 80 10.474 0.047 3.111 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.052 1.591 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.863 0.469 5.628 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.904 -1.281 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.857 0.181 5.478 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.788 0.234 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.552 -1.342 7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.538 0.811 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.555 1.045 8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.476 -0.326 9.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 12.052 -1.227 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.005 -1.453 7.962 1.00 0.00 H new ATOM 1268 N ASN A 81 7.899 -1.652 4.253 1.00 0.00 N ATOM 1269 CA ASN A 81 7.310 -2.980 4.296 1.00 0.00 C ATOM 1270 C ASN A 81 7.405 -3.620 2.910 1.00 0.00 C ATOM 1271 O ASN A 81 7.720 -4.803 2.790 1.00 0.00 O ATOM 1272 CB ASN A 81 5.832 -2.914 4.687 1.00 0.00 C ATOM 1273 CG ASN A 81 5.670 -2.497 6.150 1.00 0.00 C ATOM 1274 OD1 ASN A 81 6.626 -2.375 6.898 1.00 0.00 O ATOM 1275 ND2 ASN A 81 4.408 -2.285 6.515 1.00 0.00 N ATOM 0 H ASN A 81 7.390 -0.943 4.780 1.00 0.00 H new ATOM 0 HA ASN A 81 7.853 -3.567 5.037 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.313 -2.204 4.043 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.366 -3.887 4.529 1.00 0.00 H new ATOM 0 HD21 ASN A 81 4.194 -2.002 7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 81 3.654 -2.405 5.838 1.00 0.00 H new ATOM 1282 N TRP A 82 7.127 -2.811 1.899 1.00 0.00 N ATOM 1283 CA TRP A 82 7.177 -3.284 0.526 1.00 0.00 C ATOM 1284 C TRP A 82 8.641 -3.551 0.171 1.00 0.00 C ATOM 1285 O TRP A 82 8.972 -4.608 -0.363 1.00 0.00 O ATOM 1286 CB TRP A 82 6.504 -2.290 -0.422 1.00 0.00 C ATOM 1287 CG TRP A 82 4.977 -2.269 -0.321 1.00 0.00 C ATOM 1288 CD1 TRP A 82 4.176 -3.178 0.253 1.00 0.00 C ATOM 1289 CD2 TRP A 82 4.095 -1.249 -0.834 1.00 0.00 C ATOM 1290 NE1 TRP A 82 2.848 -2.819 0.148 1.00 0.00 N ATOM 1291 CE2 TRP A 82 2.797 -1.609 -0.534 1.00 0.00 C ATOM 1292 CE3 TRP A 82 4.385 -0.061 -1.528 1.00 0.00 C ATOM 1293 CZ2 TRP A 82 1.686 -0.835 -0.890 1.00 0.00 C ATOM 1294 CZ3 TRP A 82 3.263 0.701 -1.877 1.00 0.00 C ATOM 1295 CH2 TRP A 82 1.950 0.352 -1.583 1.00 0.00 C ATOM 0 H TRP A 82 6.866 -1.830 2.003 1.00 0.00 H new ATOM 0 HA TRP A 82 6.617 -4.213 0.418 1.00 0.00 H new ATOM 0 HB2 TRP A 82 6.885 -1.290 -0.214 1.00 0.00 H new ATOM 0 HB3 TRP A 82 6.787 -2.532 -1.446 1.00 0.00 H new ATOM 0 HD1 TRP A 82 4.526 -4.078 0.737 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.050 -3.345 0.505 1.00 0.00 H new ATOM 0 HE3 TRP A 82 5.393 0.240 -1.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.679 -1.138 -0.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 3.430 1.624 -2.412 1.00 0.00 H new ATOM 0 HH2 TRP A 82 1.137 0.994 -1.888 1.00 0.00 H new ATOM 1306 N LYS A 83 9.480 -2.573 0.482 1.00 0.00 N ATOM 1307 CA LYS A 83 10.901 -2.689 0.203 1.00 0.00 C ATOM 1308 C LYS A 83 11.364 -4.113 0.519 1.00 0.00 C ATOM 1309 O LYS A 83 11.885 -4.808 -0.353 1.00 0.00 O ATOM 1310 CB LYS A 83 11.684 -1.608 0.950 1.00 0.00 C ATOM 1311 CG LYS A 83 12.604 -0.840 -0.002 1.00 0.00 C ATOM 1312 CD LYS A 83 14.036 -0.797 0.534 1.00 0.00 C ATOM 1313 CE LYS A 83 14.306 0.517 1.270 1.00 0.00 C ATOM 1314 NZ LYS A 83 14.380 0.287 2.731 1.00 0.00 N ATOM 0 H LYS A 83 9.202 -1.697 0.924 1.00 0.00 H new ATOM 0 HA LYS A 83 11.096 -2.517 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.990 -0.916 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.276 -2.065 1.743 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.594 -1.313 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 83 12.231 0.176 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.201 -1.637 1.209 1.00 0.00 H new ATOM 0 HD3 LYS A 83 14.740 -0.908 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.240 0.953 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.516 1.234 1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.564 1.189 3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.479 -0.109 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.150 -0.381 2.939 1.00 0.00 H new ATOM 1328 N ARG A 84 11.158 -4.504 1.768 1.00 0.00 N ATOM 1329 CA ARG A 84 11.548 -5.833 2.209 1.00 0.00 C ATOM 1330 C ARG A 84 11.293 -6.857 1.102 1.00 0.00 C ATOM 1331 O ARG A 84 12.201 -7.585 0.704 1.00 0.00 O ATOM 1332 CB ARG A 84 10.775 -6.245 3.463 1.00 0.00 C ATOM 1333 CG ARG A 84 11.398 -5.632 4.719 1.00 0.00 C ATOM 1334 CD ARG A 84 10.319 -5.223 5.723 1.00 0.00 C ATOM 1335 NE ARG A 84 10.121 -6.299 6.720 1.00 0.00 N ATOM 1336 CZ ARG A 84 11.030 -6.645 7.642 1.00 0.00 C ATOM 1337 NH1 ARG A 84 12.204 -6.003 7.700 1.00 0.00 N ATOM 1338 NH2 ARG A 84 10.764 -7.634 8.506 1.00 0.00 N ATOM 0 H ARG A 84 10.727 -3.925 2.488 1.00 0.00 H new ATOM 0 HA ARG A 84 12.612 -5.805 2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 84 9.736 -5.926 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.768 -7.332 3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.076 -6.350 5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.994 -4.761 4.446 1.00 0.00 H new ATOM 0 HD2 ARG A 84 10.609 -4.300 6.225 1.00 0.00 H new ATOM 0 HD3 ARG A 84 9.383 -5.022 5.202 1.00 0.00 H new ATOM 0 HE ARG A 84 9.238 -6.809 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.407 -5.250 7.042 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.895 -6.267 8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.870 -8.123 8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.455 -7.898 9.208 1.00 0.00 H new ATOM 1352 N LEU A 85 10.053 -6.880 0.635 1.00 0.00 N ATOM 1353 CA LEU A 85 9.668 -7.802 -0.419 1.00 0.00 C ATOM 1354 C LEU A 85 10.792 -7.887 -1.453 1.00 0.00 C ATOM 1355 O LEU A 85 11.298 -8.972 -1.738 1.00 0.00 O ATOM 1356 CB LEU A 85 8.315 -7.403 -1.013 1.00 0.00 C ATOM 1357 CG LEU A 85 7.139 -7.366 -0.035 1.00 0.00 C ATOM 1358 CD1 LEU A 85 6.001 -6.500 -0.579 1.00 0.00 C ATOM 1359 CD2 LEU A 85 6.668 -8.781 0.309 1.00 0.00 C ATOM 0 H LEU A 85 9.302 -6.275 0.968 1.00 0.00 H new ATOM 0 HA LEU A 85 9.530 -8.805 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.416 -6.417 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.073 -8.100 -1.816 1.00 0.00 H new ATOM 0 HG LEU A 85 7.480 -6.905 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.178 -6.491 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.360 -5.482 -0.733 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.654 -6.909 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.831 -8.727 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.350 -9.290 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.487 -9.336 0.768 1.00 0.00 H new ATOM 1371 N LEU A 86 11.150 -6.729 -1.988 1.00 0.00 N ATOM 1372 CA LEU A 86 12.205 -6.659 -2.985 1.00 0.00 C ATOM 1373 C LEU A 86 13.559 -6.860 -2.302 1.00 0.00 C ATOM 1374 O LEU A 86 14.292 -7.792 -2.631 1.00 0.00 O ATOM 1375 CB LEU A 86 12.105 -5.356 -3.780 1.00 0.00 C ATOM 1376 CG LEU A 86 10.797 -5.135 -4.544 1.00 0.00 C ATOM 1377 CD1 LEU A 86 10.166 -3.792 -4.173 1.00 0.00 C ATOM 1378 CD2 LEU A 86 11.014 -5.270 -6.052 1.00 0.00 C ATOM 0 H LEU A 86 10.728 -5.831 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 86 12.093 -7.460 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.246 -4.522 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 86 12.929 -5.324 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 86 10.093 -5.913 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.238 -3.660 -4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.954 -3.773 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.856 -2.985 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.069 -5.108 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.741 -4.529 -6.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.386 -6.269 -6.278 1.00 0.00 H new ATOM 1390 N ASP A 87 13.851 -5.970 -1.364 1.00 0.00 N ATOM 1391 CA ASP A 87 15.105 -6.038 -0.633 1.00 0.00 C ATOM 1392 C ASP A 87 16.232 -6.422 -1.594 1.00 0.00 C ATOM 1393 O ASP A 87 16.896 -7.439 -1.404 1.00 0.00 O ATOM 1394 CB ASP A 87 15.043 -7.098 0.469 1.00 0.00 C ATOM 1395 CG ASP A 87 16.381 -7.411 1.142 1.00 0.00 C ATOM 1396 OD1 ASP A 87 17.285 -6.554 1.032 1.00 0.00 O ATOM 1397 OD2 ASP A 87 16.469 -8.499 1.751 1.00 0.00 O ATOM 0 H ASP A 87 13.241 -5.199 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 87 15.287 -5.061 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 87 14.339 -6.766 1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 87 14.643 -8.019 0.044 1.00 0.00 H new ATOM 1402 N SER A 88 16.412 -5.586 -2.607 1.00 0.00 N ATOM 1403 CA SER A 88 17.447 -5.825 -3.598 1.00 0.00 C ATOM 1404 C SER A 88 18.405 -4.633 -3.652 1.00 0.00 C ATOM 1405 O SER A 88 18.015 -3.505 -3.357 1.00 0.00 O ATOM 1406 CB SER A 88 16.838 -6.079 -4.979 1.00 0.00 C ATOM 1407 OG SER A 88 16.165 -4.930 -5.485 1.00 0.00 O ATOM 0 H SER A 88 15.859 -4.743 -2.762 1.00 0.00 H new ATOM 0 HA SER A 88 18.002 -6.716 -3.305 1.00 0.00 H new ATOM 0 HB2 SER A 88 17.625 -6.373 -5.674 1.00 0.00 H new ATOM 0 HB3 SER A 88 16.138 -6.912 -4.919 1.00 0.00 H new ATOM 0 HG SER A 88 15.792 -5.132 -6.368 1.00 0.00 H new ATOM 1413 N PRO A 89 19.674 -4.933 -4.041 1.00 0.00 N ATOM 1414 CA PRO A 89 20.691 -3.900 -4.137 1.00 0.00 C ATOM 1415 C PRO A 89 20.477 -3.034 -5.380 1.00 0.00 C ATOM 1416 O PRO A 89 20.317 -3.554 -6.483 1.00 0.00 O ATOM 1417 CB PRO A 89 22.013 -4.650 -4.155 1.00 0.00 C ATOM 1418 CG PRO A 89 21.675 -6.082 -4.536 1.00 0.00 C ATOM 1419 CD PRO A 89 20.171 -6.258 -4.397 1.00 0.00 C ATOM 0 HA PRO A 89 20.658 -3.198 -3.304 1.00 0.00 H new ATOM 0 HB2 PRO A 89 22.703 -4.207 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 89 22.498 -4.610 -3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 89 21.991 -6.290 -5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 89 22.203 -6.784 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 89 19.726 -6.611 -5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 89 19.928 -6.992 -3.629 1.00 0.00 H new ATOM 1427 N ARG A 90 20.482 -1.728 -5.160 1.00 0.00 N ATOM 1428 CA ARG A 90 20.291 -0.785 -6.249 1.00 0.00 C ATOM 1429 C ARG A 90 20.814 0.597 -5.852 1.00 0.00 C ATOM 1430 O ARG A 90 21.346 0.773 -4.757 1.00 0.00 O ATOM 1431 CB ARG A 90 18.813 -0.674 -6.628 1.00 0.00 C ATOM 1432 CG ARG A 90 18.621 -0.834 -8.138 1.00 0.00 C ATOM 1433 CD ARG A 90 17.196 -0.463 -8.552 1.00 0.00 C ATOM 1434 NE ARG A 90 16.468 -1.671 -8.999 1.00 0.00 N ATOM 1435 CZ ARG A 90 15.181 -1.677 -9.375 1.00 0.00 C ATOM 1436 NH1 ARG A 90 14.474 -0.539 -9.360 1.00 0.00 N ATOM 1437 NH2 ARG A 90 14.603 -2.821 -9.766 1.00 0.00 N ATOM 0 H ARG A 90 20.615 -1.300 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 90 20.848 -1.155 -7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.241 -1.438 -6.102 1.00 0.00 H new ATOM 0 HB3 ARG A 90 18.423 0.293 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 90 19.334 -0.202 -8.668 1.00 0.00 H new ATOM 0 HG3 ARG A 90 18.831 -1.864 -8.428 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.673 -0.003 -7.714 1.00 0.00 H new ATOM 0 HD3 ARG A 90 17.222 0.274 -9.355 1.00 0.00 H new ATOM 0 HE ARG A 90 16.977 -2.555 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.915 0.331 -9.063 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.495 -0.543 -9.646 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.142 -3.687 -9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.624 -2.826 -10.052 1.00 0.00 H new ATOM 1451 N THR A 91 20.644 1.543 -6.764 1.00 0.00 N ATOM 1452 CA THR A 91 21.092 2.904 -6.524 1.00 0.00 C ATOM 1453 C THR A 91 19.976 3.727 -5.877 1.00 0.00 C ATOM 1454 O THR A 91 18.812 3.608 -6.258 1.00 0.00 O ATOM 1455 CB THR A 91 21.582 3.483 -7.852 1.00 0.00 C ATOM 1456 OG1 THR A 91 20.395 3.619 -8.630 1.00 0.00 O ATOM 1457 CG2 THR A 91 22.434 2.491 -8.645 1.00 0.00 C ATOM 0 H THR A 91 20.202 1.393 -7.671 1.00 0.00 H new ATOM 0 HA THR A 91 21.922 2.928 -5.818 1.00 0.00 H new ATOM 0 HB THR A 91 22.160 4.387 -7.662 1.00 0.00 H new ATOM 0 HG1 THR A 91 20.620 3.990 -9.508 1.00 0.00 H new ATOM 0 HG21 THR A 91 22.756 2.953 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 91 23.309 2.212 -8.058 1.00 0.00 H new ATOM 0 HG23 THR A 91 21.845 1.600 -8.865 1.00 0.00 H new ATOM 1465 N THR A 92 20.370 4.542 -4.909 1.00 0.00 N ATOM 1466 CA THR A 92 19.417 5.384 -4.206 1.00 0.00 C ATOM 1467 C THR A 92 19.469 6.815 -4.746 1.00 0.00 C ATOM 1468 O THR A 92 20.544 7.326 -5.056 1.00 0.00 O ATOM 1469 CB THR A 92 19.716 5.288 -2.709 1.00 0.00 C ATOM 1470 OG1 THR A 92 18.535 5.786 -2.086 1.00 0.00 O ATOM 1471 CG2 THR A 92 20.810 6.262 -2.267 1.00 0.00 C ATOM 0 H THR A 92 21.336 4.637 -4.595 1.00 0.00 H new ATOM 0 HA THR A 92 18.394 5.046 -4.370 1.00 0.00 H new ATOM 0 HB THR A 92 20.016 4.269 -2.464 1.00 0.00 H new ATOM 0 HG1 THR A 92 18.642 5.758 -1.112 1.00 0.00 H new ATOM 0 HG21 THR A 92 20.983 6.153 -1.196 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.731 6.044 -2.808 1.00 0.00 H new ATOM 0 HG23 THR A 92 20.496 7.284 -2.482 1.00 0.00 H new ATOM 1479 N LYS A 93 18.295 7.421 -4.840 1.00 0.00 N ATOM 1480 CA LYS A 93 18.194 8.782 -5.337 1.00 0.00 C ATOM 1481 C LYS A 93 18.591 8.813 -6.814 1.00 0.00 C ATOM 1482 O LYS A 93 19.346 7.958 -7.276 1.00 0.00 O ATOM 1483 CB LYS A 93 19.011 9.734 -4.461 1.00 0.00 C ATOM 1484 CG LYS A 93 18.165 10.928 -4.013 1.00 0.00 C ATOM 1485 CD LYS A 93 18.991 12.216 -4.012 1.00 0.00 C ATOM 1486 CE LYS A 93 18.345 13.282 -3.126 1.00 0.00 C ATOM 1487 NZ LYS A 93 17.539 14.216 -3.943 1.00 0.00 N ATOM 0 H LYS A 93 17.406 6.994 -4.580 1.00 0.00 H new ATOM 0 HA LYS A 93 17.164 9.134 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.384 9.200 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 93 19.881 10.087 -5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.309 11.041 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 93 17.770 10.744 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.999 12.005 -3.656 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.085 12.593 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.712 12.806 -2.377 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.117 13.833 -2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.107 14.933 -3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.151 14.683 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.791 13.689 -4.437 1.00 0.00 H new ATOM 1501 N GLY A 94 18.064 9.806 -7.515 1.00 0.00 N ATOM 1502 CA GLY A 94 18.354 9.959 -8.931 1.00 0.00 C ATOM 1503 C GLY A 94 19.272 11.158 -9.176 1.00 0.00 C ATOM 1504 O GLY A 94 20.423 11.162 -8.742 1.00 0.00 O ATOM 0 H GLY A 94 17.438 10.513 -7.129 1.00 0.00 H new ATOM 0 HA2 GLY A 94 18.826 9.052 -9.309 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.424 10.089 -9.484 1.00 0.00 H new ATOM 1508 N GLU A 95 18.729 12.146 -9.871 1.00 0.00 N ATOM 1509 CA GLU A 95 19.485 13.348 -10.180 1.00 0.00 C ATOM 1510 C GLU A 95 18.620 14.331 -10.972 1.00 0.00 C ATOM 1511 O GLU A 95 17.586 13.951 -11.520 1.00 0.00 O ATOM 1512 CB GLU A 95 20.768 13.009 -10.941 1.00 0.00 C ATOM 1513 CG GLU A 95 21.924 13.907 -10.496 1.00 0.00 C ATOM 1514 CD GLU A 95 23.122 13.072 -10.039 1.00 0.00 C ATOM 1515 OE1 GLU A 95 23.742 12.439 -10.920 1.00 0.00 O ATOM 1516 OE2 GLU A 95 23.391 13.086 -8.818 1.00 0.00 O ATOM 0 H GLU A 95 17.774 12.139 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 95 19.773 13.823 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 95 21.029 11.964 -10.773 1.00 0.00 H new ATOM 0 HB3 GLU A 95 20.602 13.128 -12.012 1.00 0.00 H new ATOM 0 HG2 GLU A 95 22.222 14.557 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 95 21.595 14.553 -9.682 1.00 0.00 H new ATOM 1523 N ARG A 96 19.076 15.574 -11.009 1.00 0.00 N ATOM 1524 CA ARG A 96 18.357 16.614 -11.725 1.00 0.00 C ATOM 1525 C ARG A 96 16.994 16.861 -11.076 1.00 0.00 C ATOM 1526 O ARG A 96 16.229 15.923 -10.854 1.00 0.00 O ATOM 1527 CB ARG A 96 18.153 16.231 -13.193 1.00 0.00 C ATOM 1528 CG ARG A 96 18.718 17.307 -14.123 1.00 0.00 C ATOM 1529 CD ARG A 96 17.760 18.494 -14.234 1.00 0.00 C ATOM 1530 NE ARG A 96 18.526 19.757 -14.319 1.00 0.00 N ATOM 1531 CZ ARG A 96 19.167 20.174 -15.419 1.00 0.00 C ATOM 1532 NH1 ARG A 96 19.138 19.432 -16.534 1.00 0.00 N ATOM 1533 NH2 ARG A 96 19.838 21.334 -15.405 1.00 0.00 N ATOM 0 H ARG A 96 19.935 15.885 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 96 18.956 17.524 -11.678 1.00 0.00 H new ATOM 0 HB2 ARG A 96 18.641 15.278 -13.395 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.090 16.094 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 96 19.683 17.648 -13.747 1.00 0.00 H new ATOM 0 HG3 ARG A 96 18.893 16.883 -15.112 1.00 0.00 H new ATOM 0 HD2 ARG A 96 17.129 18.382 -15.116 1.00 0.00 H new ATOM 0 HD3 ARG A 96 17.097 18.519 -13.369 1.00 0.00 H new ATOM 0 HE ARG A 96 18.569 20.347 -13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 96 18.628 18.549 -16.546 1.00 0.00 H new ATOM 0 HH12 ARG A 96 19.626 19.750 -17.371 1.00 0.00 H new ATOM 0 HH21 ARG A 96 19.861 21.900 -14.557 1.00 0.00 H new ATOM 0 HH22 ARG A 96 20.326 21.651 -16.243 1.00 0.00 H new ATOM 1547 N GLU A 97 16.731 18.128 -10.790 1.00 0.00 N ATOM 1548 CA GLU A 97 15.473 18.509 -10.171 1.00 0.00 C ATOM 1549 C GLU A 97 15.256 20.019 -10.296 1.00 0.00 C ATOM 1550 O GLU A 97 16.186 20.801 -10.103 1.00 0.00 O ATOM 1551 CB GLU A 97 15.427 18.069 -8.706 1.00 0.00 C ATOM 1552 CG GLU A 97 16.456 18.834 -7.871 1.00 0.00 C ATOM 1553 CD GLU A 97 15.770 19.670 -6.788 1.00 0.00 C ATOM 1554 OE1 GLU A 97 15.303 20.776 -7.136 1.00 0.00 O ATOM 1555 OE2 GLU A 97 15.729 19.184 -5.637 1.00 0.00 O ATOM 0 H GLU A 97 17.367 18.903 -10.975 1.00 0.00 H new ATOM 0 HA GLU A 97 14.664 18.000 -10.695 1.00 0.00 H new ATOM 0 HB2 GLU A 97 14.428 18.238 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 97 15.621 16.999 -8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 97 17.149 18.131 -7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 97 17.045 19.484 -8.519 1.00 0.00 H new ATOM 1562 N SER A 98 14.024 20.383 -10.620 1.00 0.00 N ATOM 1563 CA SER A 98 13.674 21.784 -10.773 1.00 0.00 C ATOM 1564 C SER A 98 12.153 21.941 -10.826 1.00 0.00 C ATOM 1565 O SER A 98 11.431 20.965 -11.028 1.00 0.00 O ATOM 1566 CB SER A 98 14.312 22.377 -12.031 1.00 0.00 C ATOM 1567 OG SER A 98 13.734 21.849 -13.222 1.00 0.00 O ATOM 0 H SER A 98 13.256 19.731 -10.781 1.00 0.00 H new ATOM 0 HA SER A 98 14.060 22.328 -9.911 1.00 0.00 H new ATOM 0 HB2 SER A 98 14.195 23.461 -12.021 1.00 0.00 H new ATOM 0 HB3 SER A 98 15.383 22.172 -12.026 1.00 0.00 H new ATOM 0 HG SER A 98 14.167 22.253 -14.003 1.00 0.00 H new ATOM 1573 N GLY A 99 11.710 23.175 -10.640 1.00 0.00 N ATOM 1574 CA GLY A 99 10.288 23.472 -10.664 1.00 0.00 C ATOM 1575 C GLY A 99 10.016 24.800 -11.373 1.00 0.00 C ATOM 1576 O GLY A 99 10.446 25.855 -10.908 1.00 0.00 O ATOM 0 H GLY A 99 12.311 23.982 -10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.754 22.669 -11.172 1.00 0.00 H new ATOM 0 HA3 GLY A 99 9.905 23.515 -9.644 1.00 0.00 H new ATOM 1580 N PRO A 100 9.285 24.703 -12.516 1.00 0.00 N ATOM 1581 CA PRO A 100 8.952 25.884 -13.293 1.00 0.00 C ATOM 1582 C PRO A 100 7.845 26.693 -12.614 1.00 0.00 C ATOM 1583 O PRO A 100 7.134 26.178 -11.753 1.00 0.00 O ATOM 1584 CB PRO A 100 8.547 25.355 -14.659 1.00 0.00 C ATOM 1585 CG PRO A 100 8.222 23.884 -14.456 1.00 0.00 C ATOM 1586 CD PRO A 100 8.760 23.471 -13.096 1.00 0.00 C ATOM 0 HA PRO A 100 9.787 26.579 -13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.684 25.896 -15.047 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.353 25.481 -15.381 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.146 23.720 -14.506 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.673 23.281 -15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.975 23.043 -12.473 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.539 22.715 -13.191 1.00 0.00 H new ATOM 1594 N SER A 101 7.734 27.948 -13.027 1.00 0.00 N ATOM 1595 CA SER A 101 6.727 28.833 -12.468 1.00 0.00 C ATOM 1596 C SER A 101 6.708 30.156 -13.237 1.00 0.00 C ATOM 1597 O SER A 101 7.645 30.463 -13.972 1.00 0.00 O ATOM 1598 CB SER A 101 6.979 29.087 -10.981 1.00 0.00 C ATOM 1599 OG SER A 101 5.766 29.151 -10.237 1.00 0.00 O ATOM 0 H SER A 101 8.325 28.372 -13.742 1.00 0.00 H new ATOM 0 HA SER A 101 5.755 28.349 -12.566 1.00 0.00 H new ATOM 0 HB2 SER A 101 7.609 28.293 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 101 7.528 30.021 -10.861 1.00 0.00 H new ATOM 0 HG SER A 101 5.970 29.313 -9.292 1.00 0.00 H new ATOM 1605 N SER A 102 5.632 30.903 -13.041 1.00 0.00 N ATOM 1606 CA SER A 102 5.480 32.186 -13.706 1.00 0.00 C ATOM 1607 C SER A 102 5.366 31.980 -15.218 1.00 0.00 C ATOM 1608 O SER A 102 5.581 30.877 -15.716 1.00 0.00 O ATOM 1609 CB SER A 102 6.651 33.116 -13.384 1.00 0.00 C ATOM 1610 OG SER A 102 6.312 34.487 -13.575 1.00 0.00 O ATOM 0 H SER A 102 4.857 30.644 -12.431 1.00 0.00 H new ATOM 0 HA SER A 102 4.567 32.656 -13.339 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.964 32.960 -12.352 1.00 0.00 H new ATOM 0 HB3 SER A 102 7.501 32.861 -14.017 1.00 0.00 H new ATOM 0 HG SER A 102 7.085 35.049 -13.357 1.00 0.00 H new ATOM 1616 N GLY A 103 5.026 33.061 -15.906 1.00 0.00 N ATOM 1617 CA GLY A 103 4.881 33.013 -17.351 1.00 0.00 C ATOM 1618 C GLY A 103 3.607 32.265 -17.749 1.00 0.00 C ATOM 1619 O GLY A 103 3.643 31.063 -18.008 1.00 0.00 O ATOM 0 H GLY A 103 4.847 33.975 -15.489 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.852 34.026 -17.751 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.748 32.521 -17.791 1.00 0.00 H new TER 1623 GLY A 103