USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1005 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 61 SER OG : rot -82:sc= 0 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.156 K(o=-0.16,f=-0.96) USER MOD Set 2.1: A 43 THR OG1 : rot 46:sc= 1 USER MOD Set 2.2: A 48 THR OG1 : rot 121:sc= 0.0844 USER MOD Single : A 7 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.62 X(o=-1.6,f=-2.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 75:sc= 0.47 USER MOD Single : A 19 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.2!) USER MOD Single : A 20 SER OG : rot 174:sc= 1.4 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0951 USER MOD Single : A 24 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.1!) USER MOD Single : A 25 LYS NZ :NH3+ -144:sc= -0.0829 (180deg=-0.565) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 160:sc= -0.682 USER MOD Single : A 32 THR OG1 : rot 52:sc= 0.0308 USER MOD Single : A 34 THR OG1 : rot 42:sc= 0.514 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -3.62! USER MOD Single : A 58 GLN : amide:sc= -0.861 K(o=-0.86,f=-3.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.445 K(o=-0.45,f=-1.1!) USER MOD Single : A 65 LYS NZ :NH3+ -161:sc=-0.00415 (180deg=-0.133) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.32) USER MOD Single : A 80 HIS : no HD1:sc= -0.668 K(o=-0.67,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0698 K(o=-0.07,f=-1.6!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot -89:sc= -1.47 USER MOD Single : A 112 THR OG1 : rot 30:sc= 0.317 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0.0017) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -65:sc= -1.43 USER MOD Single : A 124 MET CE :methyl -146:sc= -7.19! (180deg=-8.21!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -170:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.744 9.345 0.453 1.00 2.18 N ATOM 93 CA CYS A 7 -16.195 8.368 -0.524 1.00 1.83 C ATOM 94 C CYS A 7 -15.341 9.107 -1.553 1.00 1.74 C ATOM 95 O CYS A 7 -14.154 8.889 -1.661 1.00 1.60 O ATOM 96 CB CYS A 7 -17.348 7.653 -1.230 1.00 2.27 C ATOM 97 SG CYS A 7 -16.709 6.716 -2.641 1.00 2.08 S ATOM 0 HA CYS A 7 -15.580 7.634 -0.003 1.00 1.83 H new ATOM 0 HB2 CYS A 7 -17.854 6.983 -0.535 1.00 2.27 H new ATOM 0 HB3 CYS A 7 -18.087 8.379 -1.568 1.00 2.27 H new ATOM 0 HG CYS A 7 -17.690 6.108 -3.238 1.00 2.08 H new ATOM 102 N ASP A 8 -15.931 9.989 -2.305 1.00 2.12 N ATOM 103 CA ASP A 8 -15.144 10.741 -3.321 1.00 2.17 C ATOM 104 C ASP A 8 -14.002 11.513 -2.646 1.00 1.74 C ATOM 105 O ASP A 8 -13.057 11.913 -3.290 1.00 2.03 O ATOM 106 CB ASP A 8 -16.062 11.722 -4.049 1.00 2.81 C ATOM 107 CG ASP A 8 -16.442 11.141 -5.411 1.00 2.99 C ATOM 108 OD1 ASP A 8 -15.556 10.649 -6.092 1.00 3.62 O ATOM 109 OD2 ASP A 8 -17.612 11.195 -5.751 1.00 2.94 O ATOM 0 H ASP A 8 -16.923 10.223 -2.262 1.00 2.12 H new ATOM 0 HA ASP A 8 -14.719 10.035 -4.034 1.00 2.17 H new ATOM 0 HB2 ASP A 8 -16.958 11.907 -3.457 1.00 2.81 H new ATOM 0 HB3 ASP A 8 -15.560 12.681 -4.177 1.00 2.81 H new ATOM 114 N ILE A 9 -14.076 11.742 -1.361 1.00 1.14 N ATOM 115 CA ILE A 9 -12.973 12.502 -0.692 1.00 0.87 C ATOM 116 C ILE A 9 -11.883 11.555 -0.171 1.00 0.64 C ATOM 117 O ILE A 9 -10.794 11.504 -0.704 1.00 0.55 O ATOM 118 CB ILE A 9 -13.510 13.377 0.466 1.00 0.65 C ATOM 119 CG1 ILE A 9 -12.401 13.599 1.499 1.00 2.55 C ATOM 120 CG2 ILE A 9 -14.723 12.742 1.161 1.00 2.27 C ATOM 121 CD1 ILE A 9 -12.701 14.868 2.298 1.00 2.95 C ATOM 0 H ILE A 9 -14.838 11.443 -0.752 1.00 1.14 H new ATOM 0 HA ILE A 9 -12.535 13.158 -1.444 1.00 0.87 H new ATOM 0 HB ILE A 9 -13.830 14.326 0.035 1.00 0.65 H new ATOM 0 HG12 ILE A 9 -12.335 12.741 2.168 1.00 2.55 H new ATOM 0 HG13 ILE A 9 -11.436 13.689 1.000 1.00 2.55 H new ATOM 0 HG21 ILE A 9 -15.063 13.393 1.966 1.00 2.27 H new ATOM 0 HG22 ILE A 9 -15.528 12.608 0.438 1.00 2.27 H new ATOM 0 HG23 ILE A 9 -14.440 11.773 1.573 1.00 2.27 H new ATOM 0 HD11 ILE A 9 -11.914 15.029 3.034 1.00 2.95 H new ATOM 0 HD12 ILE A 9 -12.746 15.722 1.622 1.00 2.95 H new ATOM 0 HD13 ILE A 9 -13.658 14.759 2.808 1.00 2.95 H new ATOM 133 N THR A 10 -12.147 10.839 0.884 1.00 0.59 N ATOM 134 CA THR A 10 -11.106 9.936 1.461 1.00 0.43 C ATOM 135 C THR A 10 -10.828 8.731 0.552 1.00 0.44 C ATOM 136 O THR A 10 -9.692 8.350 0.364 1.00 0.36 O ATOM 137 CB THR A 10 -11.574 9.439 2.829 1.00 0.58 C ATOM 138 OG1 THR A 10 -11.880 10.553 3.656 1.00 0.67 O ATOM 139 CG2 THR A 10 -10.463 8.612 3.474 1.00 0.47 C ATOM 0 H THR A 10 -13.041 10.838 1.376 1.00 0.59 H new ATOM 0 HA THR A 10 -10.181 10.505 1.555 1.00 0.43 H new ATOM 0 HB THR A 10 -12.464 8.821 2.710 1.00 0.58 H new ATOM 0 HG1 THR A 10 -12.182 10.236 4.533 1.00 0.67 H new ATOM 0 HG21 THR A 10 -10.794 8.256 4.450 1.00 0.47 H new ATOM 0 HG22 THR A 10 -10.228 7.759 2.837 1.00 0.47 H new ATOM 0 HG23 THR A 10 -9.573 9.230 3.596 1.00 0.47 H new ATOM 147 N LEU A 11 -11.837 8.104 0.010 1.00 0.61 N ATOM 148 CA LEU A 11 -11.577 6.910 -0.850 1.00 0.68 C ATOM 149 C LEU A 11 -10.850 7.316 -2.141 1.00 0.45 C ATOM 150 O LEU A 11 -9.878 6.698 -2.526 1.00 0.42 O ATOM 151 CB LEU A 11 -12.898 6.215 -1.194 1.00 0.91 C ATOM 152 CG LEU A 11 -13.010 4.898 -0.417 1.00 1.30 C ATOM 153 CD1 LEU A 11 -11.950 3.909 -0.905 1.00 1.37 C ATOM 154 CD2 LEU A 11 -12.801 5.163 1.076 1.00 2.49 C ATOM 0 H LEU A 11 -12.818 8.361 0.122 1.00 0.61 H new ATOM 0 HA LEU A 11 -10.940 6.220 -0.296 1.00 0.68 H new ATOM 0 HB2 LEU A 11 -13.737 6.866 -0.947 1.00 0.91 H new ATOM 0 HB3 LEU A 11 -12.949 6.021 -2.265 1.00 0.91 H new ATOM 0 HG LEU A 11 -14.001 4.475 -0.581 1.00 1.30 H new ATOM 0 HD11 LEU A 11 -12.038 2.977 -0.347 1.00 1.37 H new ATOM 0 HD12 LEU A 11 -12.098 3.712 -1.967 1.00 1.37 H new ATOM 0 HD13 LEU A 11 -10.958 4.333 -0.749 1.00 1.37 H new ATOM 0 HD21 LEU A 11 -12.881 4.226 1.627 1.00 2.49 H new ATOM 0 HD22 LEU A 11 -11.812 5.594 1.234 1.00 2.49 H new ATOM 0 HD23 LEU A 11 -13.561 5.859 1.432 1.00 2.49 H new ATOM 166 N GLN A 12 -11.302 8.339 -2.820 1.00 0.39 N ATOM 167 CA GLN A 12 -10.614 8.748 -4.083 1.00 0.22 C ATOM 168 C GLN A 12 -9.192 9.209 -3.764 1.00 0.18 C ATOM 169 O GLN A 12 -8.269 8.961 -4.512 1.00 0.12 O ATOM 170 CB GLN A 12 -11.397 9.883 -4.761 1.00 0.39 C ATOM 171 CG GLN A 12 -10.587 11.186 -4.734 1.00 0.94 C ATOM 172 CD GLN A 12 -11.391 12.302 -5.404 1.00 1.14 C ATOM 173 OE1 GLN A 12 -12.042 12.082 -6.406 1.00 1.11 O ATOM 174 NE2 GLN A 12 -11.372 13.501 -4.889 1.00 2.02 N ATOM 0 H GLN A 12 -12.110 8.904 -2.559 1.00 0.39 H new ATOM 0 HA GLN A 12 -10.570 7.897 -4.763 1.00 0.22 H new ATOM 0 HB2 GLN A 12 -11.624 9.611 -5.792 1.00 0.39 H new ATOM 0 HB3 GLN A 12 -12.350 10.030 -4.252 1.00 0.39 H new ATOM 0 HG2 GLN A 12 -10.353 11.460 -3.705 1.00 0.94 H new ATOM 0 HG3 GLN A 12 -9.637 11.047 -5.251 1.00 0.94 H new ATOM 0 HE21 GLN A 12 -10.826 13.686 -4.048 1.00 2.02 H new ATOM 0 HE22 GLN A 12 -11.904 14.253 -5.328 1.00 2.02 H new ATOM 183 N GLU A 13 -9.006 9.880 -2.663 1.00 0.26 N ATOM 184 CA GLU A 13 -7.640 10.354 -2.302 1.00 0.32 C ATOM 185 C GLU A 13 -6.745 9.142 -2.040 1.00 0.35 C ATOM 186 O GLU A 13 -5.559 9.161 -2.305 1.00 0.37 O ATOM 187 CB GLU A 13 -7.719 11.217 -1.041 1.00 0.43 C ATOM 188 CG GLU A 13 -6.401 11.968 -0.845 1.00 1.01 C ATOM 189 CD GLU A 13 -6.666 13.474 -0.842 1.00 0.37 C ATOM 190 OE1 GLU A 13 -7.440 13.922 -1.671 1.00 0.99 O ATOM 191 OE2 GLU A 13 -6.090 14.155 -0.009 1.00 1.31 O ATOM 0 H GLU A 13 -9.740 10.121 -1.997 1.00 0.26 H new ATOM 0 HA GLU A 13 -7.225 10.946 -3.118 1.00 0.32 H new ATOM 0 HB2 GLU A 13 -8.543 11.926 -1.125 1.00 0.43 H new ATOM 0 HB3 GLU A 13 -7.924 10.591 -0.173 1.00 0.43 H new ATOM 0 HG2 GLU A 13 -5.936 11.668 0.094 1.00 1.01 H new ATOM 0 HG3 GLU A 13 -5.703 11.713 -1.642 1.00 1.01 H new ATOM 198 N ILE A 14 -7.311 8.086 -1.527 1.00 0.38 N ATOM 199 CA ILE A 14 -6.508 6.866 -1.248 1.00 0.41 C ATOM 200 C ILE A 14 -6.109 6.213 -2.574 1.00 0.35 C ATOM 201 O ILE A 14 -5.054 5.624 -2.698 1.00 0.30 O ATOM 202 CB ILE A 14 -7.353 5.890 -0.415 1.00 0.46 C ATOM 203 CG1 ILE A 14 -6.724 5.729 0.972 1.00 0.52 C ATOM 204 CG2 ILE A 14 -7.412 4.521 -1.105 1.00 0.58 C ATOM 205 CD1 ILE A 14 -7.682 4.959 1.881 1.00 1.01 C ATOM 0 H ILE A 14 -8.300 8.016 -1.288 1.00 0.38 H new ATOM 0 HA ILE A 14 -5.607 7.128 -0.693 1.00 0.41 H new ATOM 0 HB ILE A 14 -8.364 6.287 -0.320 1.00 0.46 H new ATOM 0 HG12 ILE A 14 -5.775 5.198 0.893 1.00 0.52 H new ATOM 0 HG13 ILE A 14 -6.507 6.708 1.400 1.00 0.52 H new ATOM 0 HG21 ILE A 14 -8.013 3.837 -0.506 1.00 0.58 H new ATOM 0 HG22 ILE A 14 -7.862 4.630 -2.092 1.00 0.58 H new ATOM 0 HG23 ILE A 14 -6.403 4.122 -1.208 1.00 0.58 H new ATOM 0 HD11 ILE A 14 -7.234 4.845 2.868 1.00 1.01 H new ATOM 0 HD12 ILE A 14 -8.620 5.508 1.969 1.00 1.01 H new ATOM 0 HD13 ILE A 14 -7.876 3.975 1.454 1.00 1.01 H new ATOM 217 N ILE A 15 -6.955 6.305 -3.563 1.00 0.36 N ATOM 218 CA ILE A 15 -6.639 5.686 -4.880 1.00 0.31 C ATOM 219 C ILE A 15 -5.495 6.452 -5.552 1.00 0.29 C ATOM 220 O ILE A 15 -4.600 5.868 -6.132 1.00 0.30 O ATOM 221 CB ILE A 15 -7.888 5.726 -5.762 1.00 0.30 C ATOM 222 CG1 ILE A 15 -8.810 4.564 -5.382 1.00 0.38 C ATOM 223 CG2 ILE A 15 -7.489 5.598 -7.231 1.00 0.42 C ATOM 224 CD1 ILE A 15 -10.249 5.065 -5.256 1.00 0.61 C ATOM 0 H ILE A 15 -7.854 6.784 -3.515 1.00 0.36 H new ATOM 0 HA ILE A 15 -6.329 4.651 -4.736 1.00 0.31 H new ATOM 0 HB ILE A 15 -8.407 6.673 -5.613 1.00 0.30 H new ATOM 0 HG12 ILE A 15 -8.753 3.780 -6.137 1.00 0.38 H new ATOM 0 HG13 ILE A 15 -8.485 4.123 -4.440 1.00 0.38 H new ATOM 0 HG21 ILE A 15 -8.383 5.627 -7.855 1.00 0.42 H new ATOM 0 HG22 ILE A 15 -6.830 6.423 -7.502 1.00 0.42 H new ATOM 0 HG23 ILE A 15 -6.969 4.653 -7.386 1.00 0.42 H new ATOM 0 HD11 ILE A 15 -10.901 4.234 -4.986 1.00 0.61 H new ATOM 0 HD12 ILE A 15 -10.301 5.833 -4.484 1.00 0.61 H new ATOM 0 HD13 ILE A 15 -10.573 5.485 -6.208 1.00 0.61 H new ATOM 236 N LYS A 16 -5.510 7.754 -5.474 1.00 0.30 N ATOM 237 CA LYS A 16 -4.418 8.547 -6.103 1.00 0.31 C ATOM 238 C LYS A 16 -3.092 8.197 -5.428 1.00 0.34 C ATOM 239 O LYS A 16 -2.099 7.944 -6.081 1.00 0.38 O ATOM 240 CB LYS A 16 -4.698 10.041 -5.928 1.00 0.33 C ATOM 241 CG LYS A 16 -5.680 10.505 -7.005 1.00 0.84 C ATOM 242 CD LYS A 16 -5.523 12.012 -7.223 1.00 0.50 C ATOM 243 CE LYS A 16 -6.637 12.755 -6.483 1.00 0.74 C ATOM 244 NZ LYS A 16 -6.752 14.142 -7.018 1.00 1.19 N ATOM 0 H LYS A 16 -6.230 8.302 -5.003 1.00 0.30 H new ATOM 0 HA LYS A 16 -4.365 8.313 -7.166 1.00 0.31 H new ATOM 0 HB2 LYS A 16 -5.112 10.231 -4.938 1.00 0.33 H new ATOM 0 HB3 LYS A 16 -3.769 10.607 -5.999 1.00 0.33 H new ATOM 0 HG2 LYS A 16 -5.494 9.971 -7.937 1.00 0.84 H new ATOM 0 HG3 LYS A 16 -6.702 10.275 -6.704 1.00 0.84 H new ATOM 0 HD2 LYS A 16 -4.549 12.343 -6.862 1.00 0.50 H new ATOM 0 HD3 LYS A 16 -5.563 12.242 -8.288 1.00 0.50 H new ATOM 0 HE2 LYS A 16 -7.583 12.228 -6.605 1.00 0.74 H new ATOM 0 HE3 LYS A 16 -6.422 12.783 -5.415 1.00 0.74 H new ATOM 0 HZ1 LYS A 16 -7.509 14.647 -6.515 1.00 1.19 H new ATOM 0 HZ2 LYS A 16 -5.851 14.643 -6.880 1.00 1.19 H new ATOM 0 HZ3 LYS A 16 -6.976 14.105 -8.033 1.00 1.19 H new ATOM 258 N THR A 17 -3.071 8.172 -4.124 1.00 0.34 N ATOM 259 CA THR A 17 -1.812 7.829 -3.406 1.00 0.37 C ATOM 260 C THR A 17 -1.346 6.446 -3.857 1.00 0.32 C ATOM 261 O THR A 17 -0.166 6.189 -4.000 1.00 0.33 O ATOM 262 CB THR A 17 -2.068 7.813 -1.897 1.00 0.44 C ATOM 263 OG1 THR A 17 -2.957 8.867 -1.558 1.00 0.57 O ATOM 264 CG2 THR A 17 -0.745 7.995 -1.150 1.00 0.39 C ATOM 0 H THR A 17 -3.871 8.374 -3.525 1.00 0.34 H new ATOM 0 HA THR A 17 -1.046 8.571 -3.632 1.00 0.37 H new ATOM 0 HB THR A 17 -2.512 6.859 -1.614 1.00 0.44 H new ATOM 0 HG1 THR A 17 -3.866 8.630 -1.835 1.00 0.57 H new ATOM 0 HG21 THR A 17 -0.929 7.983 -0.076 1.00 0.39 H new ATOM 0 HG22 THR A 17 -0.065 7.184 -1.410 1.00 0.39 H new ATOM 0 HG23 THR A 17 -0.297 8.948 -1.431 1.00 0.39 H new ATOM 272 N LEU A 18 -2.268 5.553 -4.085 1.00 0.29 N ATOM 273 CA LEU A 18 -1.889 4.186 -4.532 1.00 0.28 C ATOM 274 C LEU A 18 -1.106 4.288 -5.842 1.00 0.24 C ATOM 275 O LEU A 18 -0.142 3.579 -6.058 1.00 0.31 O ATOM 276 CB LEU A 18 -3.157 3.358 -4.757 1.00 0.30 C ATOM 277 CG LEU A 18 -2.870 1.884 -4.465 1.00 0.31 C ATOM 278 CD1 LEU A 18 -1.709 1.408 -5.337 1.00 0.73 C ATOM 279 CD2 LEU A 18 -2.501 1.715 -2.989 1.00 1.17 C ATOM 0 H LEU A 18 -3.270 5.712 -3.980 1.00 0.29 H new ATOM 0 HA LEU A 18 -1.272 3.705 -3.773 1.00 0.28 H new ATOM 0 HB2 LEU A 18 -3.957 3.718 -4.110 1.00 0.30 H new ATOM 0 HB3 LEU A 18 -3.501 3.475 -5.785 1.00 0.30 H new ATOM 0 HG LEU A 18 -3.758 1.292 -4.686 1.00 0.31 H new ATOM 0 HD11 LEU A 18 -1.504 0.358 -5.129 1.00 0.73 H new ATOM 0 HD12 LEU A 18 -1.972 1.525 -6.388 1.00 0.73 H new ATOM 0 HD13 LEU A 18 -0.821 2.001 -5.117 1.00 0.73 H new ATOM 0 HD21 LEU A 18 -2.297 0.664 -2.783 1.00 1.17 H new ATOM 0 HD22 LEU A 18 -1.614 2.308 -2.766 1.00 1.17 H new ATOM 0 HD23 LEU A 18 -3.329 2.053 -2.366 1.00 1.17 H new ATOM 291 N ASN A 19 -1.512 5.161 -6.720 1.00 0.20 N ATOM 292 CA ASN A 19 -0.791 5.304 -8.014 1.00 0.22 C ATOM 293 C ASN A 19 0.585 5.933 -7.774 1.00 0.20 C ATOM 294 O ASN A 19 1.520 5.702 -8.513 1.00 0.19 O ATOM 295 CB ASN A 19 -1.603 6.197 -8.954 1.00 0.32 C ATOM 296 CG ASN A 19 -0.678 7.234 -9.594 1.00 1.86 C ATOM 297 OD1 ASN A 19 -0.334 8.222 -8.977 1.00 3.41 O ATOM 298 ND2 ASN A 19 -0.259 7.048 -10.816 1.00 1.89 N ATOM 0 H ASN A 19 -2.312 5.782 -6.597 1.00 0.20 H new ATOM 0 HA ASN A 19 -0.663 4.320 -8.465 1.00 0.22 H new ATOM 0 HB2 ASN A 19 -2.080 5.593 -9.726 1.00 0.32 H new ATOM 0 HB3 ASN A 19 -2.400 6.696 -8.402 1.00 0.32 H new ATOM 0 HD21 ASN A 19 0.358 7.733 -11.253 1.00 1.89 H new ATOM 0 HD22 ASN A 19 -0.548 6.218 -11.334 1.00 1.89 H new ATOM 305 N SER A 20 0.716 6.731 -6.747 1.00 0.27 N ATOM 306 CA SER A 20 2.031 7.374 -6.467 1.00 0.36 C ATOM 307 C SER A 20 3.065 6.297 -6.125 1.00 0.34 C ATOM 308 O SER A 20 4.181 6.317 -6.608 1.00 0.39 O ATOM 309 CB SER A 20 1.885 8.339 -5.291 1.00 0.53 C ATOM 310 OG SER A 20 3.025 9.187 -5.232 1.00 1.34 O ATOM 0 H SER A 20 -0.030 6.964 -6.092 1.00 0.27 H new ATOM 0 HA SER A 20 2.362 7.924 -7.348 1.00 0.36 H new ATOM 0 HB2 SER A 20 0.980 8.935 -5.406 1.00 0.53 H new ATOM 0 HB3 SER A 20 1.784 7.782 -4.360 1.00 0.53 H new ATOM 0 HG SER A 20 2.891 9.868 -4.540 1.00 1.34 H new ATOM 316 N LEU A 21 2.705 5.357 -5.296 1.00 0.35 N ATOM 317 CA LEU A 21 3.666 4.279 -4.924 1.00 0.40 C ATOM 318 C LEU A 21 3.968 3.391 -6.142 1.00 0.45 C ATOM 319 O LEU A 21 4.901 2.612 -6.130 1.00 0.64 O ATOM 320 CB LEU A 21 3.062 3.427 -3.804 1.00 0.42 C ATOM 321 CG LEU A 21 2.500 4.342 -2.717 1.00 0.75 C ATOM 322 CD1 LEU A 21 2.287 3.538 -1.434 1.00 0.93 C ATOM 323 CD2 LEU A 21 3.489 5.478 -2.447 1.00 1.46 C ATOM 0 H LEU A 21 1.786 5.288 -4.859 1.00 0.35 H new ATOM 0 HA LEU A 21 4.596 4.733 -4.581 1.00 0.40 H new ATOM 0 HB2 LEU A 21 2.272 2.790 -4.202 1.00 0.42 H new ATOM 0 HB3 LEU A 21 3.822 2.768 -3.383 1.00 0.42 H new ATOM 0 HG LEU A 21 1.548 4.758 -3.048 1.00 0.75 H new ATOM 0 HD11 LEU A 21 1.886 4.190 -0.658 1.00 0.93 H new ATOM 0 HD12 LEU A 21 1.584 2.727 -1.625 1.00 0.93 H new ATOM 0 HD13 LEU A 21 3.239 3.123 -1.103 1.00 0.93 H new ATOM 0 HD21 LEU A 21 3.089 6.132 -1.672 1.00 1.46 H new ATOM 0 HD22 LEU A 21 4.440 5.061 -2.116 1.00 1.46 H new ATOM 0 HD23 LEU A 21 3.643 6.051 -3.361 1.00 1.46 H new ATOM 335 N THR A 22 3.195 3.495 -7.195 1.00 0.34 N ATOM 336 CA THR A 22 3.456 2.650 -8.396 1.00 0.46 C ATOM 337 C THR A 22 4.403 3.372 -9.366 1.00 0.56 C ATOM 338 O THR A 22 4.536 2.984 -10.509 1.00 0.99 O ATOM 339 CB THR A 22 2.131 2.362 -9.109 1.00 0.56 C ATOM 340 OG1 THR A 22 1.069 2.403 -8.166 1.00 1.16 O ATOM 341 CG2 THR A 22 2.187 0.979 -9.759 1.00 0.87 C ATOM 0 H THR A 22 2.398 4.127 -7.273 1.00 0.34 H new ATOM 0 HA THR A 22 3.921 1.718 -8.076 1.00 0.46 H new ATOM 0 HB THR A 22 1.962 3.114 -9.879 1.00 0.56 H new ATOM 0 HG1 THR A 22 0.220 2.221 -8.621 1.00 1.16 H new ATOM 0 HG21 THR A 22 1.243 0.777 -10.265 1.00 0.87 H new ATOM 0 HG22 THR A 22 3.001 0.950 -10.483 1.00 0.87 H new ATOM 0 HG23 THR A 22 2.357 0.223 -8.992 1.00 0.87 H new ATOM 349 N GLU A 23 5.067 4.411 -8.930 1.00 0.31 N ATOM 350 CA GLU A 23 5.997 5.131 -9.845 1.00 0.35 C ATOM 351 C GLU A 23 7.340 4.404 -9.872 1.00 0.43 C ATOM 352 O GLU A 23 7.857 4.062 -10.917 1.00 0.79 O ATOM 353 CB GLU A 23 6.200 6.562 -9.343 1.00 0.28 C ATOM 354 CG GLU A 23 6.258 7.519 -10.535 1.00 0.63 C ATOM 355 CD GLU A 23 7.672 7.525 -11.119 1.00 1.59 C ATOM 356 OE1 GLU A 23 8.510 6.808 -10.597 1.00 2.67 O ATOM 357 OE2 GLU A 23 7.894 8.247 -12.077 1.00 2.32 O ATOM 0 H GLU A 23 5.005 4.789 -7.985 1.00 0.31 H new ATOM 0 HA GLU A 23 5.575 5.157 -10.850 1.00 0.35 H new ATOM 0 HB2 GLU A 23 5.385 6.844 -8.677 1.00 0.28 H new ATOM 0 HB3 GLU A 23 7.122 6.628 -8.765 1.00 0.28 H new ATOM 0 HG2 GLU A 23 5.541 7.212 -11.296 1.00 0.63 H new ATOM 0 HG3 GLU A 23 5.979 8.525 -10.221 1.00 0.63 H new ATOM 364 N GLN A 24 7.903 4.160 -8.724 1.00 0.21 N ATOM 365 CA GLN A 24 9.210 3.447 -8.663 1.00 0.36 C ATOM 366 C GLN A 24 8.947 1.988 -8.293 1.00 0.38 C ATOM 367 O GLN A 24 9.542 1.444 -7.384 1.00 0.57 O ATOM 368 CB GLN A 24 10.103 4.110 -7.606 1.00 0.39 C ATOM 369 CG GLN A 24 11.153 4.981 -8.300 1.00 1.01 C ATOM 370 CD GLN A 24 11.047 6.421 -7.791 1.00 1.78 C ATOM 371 OE1 GLN A 24 12.046 7.062 -7.534 1.00 2.10 O ATOM 372 NE2 GLN A 24 9.869 6.960 -7.639 1.00 2.97 N ATOM 0 H GLN A 24 7.513 4.425 -7.819 1.00 0.21 H new ATOM 0 HA GLN A 24 9.716 3.495 -9.627 1.00 0.36 H new ATOM 0 HB2 GLN A 24 9.498 4.717 -6.933 1.00 0.39 H new ATOM 0 HB3 GLN A 24 10.591 3.349 -6.997 1.00 0.39 H new ATOM 0 HG2 GLN A 24 12.151 4.589 -8.105 1.00 1.01 H new ATOM 0 HG3 GLN A 24 11.005 4.955 -9.380 1.00 1.01 H new ATOM 0 HE21 GLN A 24 9.030 6.422 -7.855 1.00 2.97 H new ATOM 0 HE22 GLN A 24 9.787 7.920 -7.304 1.00 2.97 H new ATOM 381 N LYS A 25 8.049 1.350 -8.992 1.00 0.43 N ATOM 382 CA LYS A 25 7.737 -0.069 -8.678 1.00 0.47 C ATOM 383 C LYS A 25 8.561 -0.992 -9.576 1.00 0.58 C ATOM 384 O LYS A 25 8.030 -1.696 -10.412 1.00 0.74 O ATOM 385 CB LYS A 25 6.246 -0.329 -8.908 1.00 0.55 C ATOM 386 CG LYS A 25 5.884 0.003 -10.356 1.00 1.46 C ATOM 387 CD LYS A 25 5.201 -1.203 -11.002 1.00 2.01 C ATOM 388 CE LYS A 25 3.940 -1.559 -10.213 1.00 2.06 C ATOM 389 NZ LYS A 25 4.067 -2.940 -9.668 1.00 2.24 N ATOM 0 H LYS A 25 7.519 1.751 -9.766 1.00 0.43 H new ATOM 0 HA LYS A 25 7.984 -0.268 -7.635 1.00 0.47 H new ATOM 0 HB2 LYS A 25 6.011 -1.372 -8.694 1.00 0.55 H new ATOM 0 HB3 LYS A 25 5.651 0.278 -8.226 1.00 0.55 H new ATOM 0 HG2 LYS A 25 5.222 0.869 -10.387 1.00 1.46 H new ATOM 0 HG3 LYS A 25 6.782 0.268 -10.915 1.00 1.46 H new ATOM 0 HD2 LYS A 25 4.944 -0.977 -12.037 1.00 2.01 H new ATOM 0 HD3 LYS A 25 5.883 -2.053 -11.021 1.00 2.01 H new ATOM 0 HE2 LYS A 25 3.794 -0.848 -9.400 1.00 2.06 H new ATOM 0 HE3 LYS A 25 3.064 -1.490 -10.857 1.00 2.06 H new ATOM 0 HZ1 LYS A 25 3.139 -3.408 -9.689 1.00 2.24 H new ATOM 0 HZ2 LYS A 25 4.741 -3.481 -10.247 1.00 2.24 H new ATOM 0 HZ3 LYS A 25 4.410 -2.896 -8.687 1.00 2.24 H new ATOM 403 N THR A 26 9.854 -1.003 -9.406 1.00 0.52 N ATOM 404 CA THR A 26 10.708 -1.887 -10.247 1.00 0.65 C ATOM 405 C THR A 26 12.020 -2.162 -9.514 1.00 0.67 C ATOM 406 O THR A 26 12.399 -3.297 -9.298 1.00 0.67 O ATOM 407 CB THR A 26 11.007 -1.197 -11.581 1.00 0.70 C ATOM 408 OG1 THR A 26 10.765 0.197 -11.456 1.00 0.71 O ATOM 409 CG2 THR A 26 10.110 -1.780 -12.673 1.00 1.50 C ATOM 0 H THR A 26 10.356 -0.438 -8.721 1.00 0.52 H new ATOM 0 HA THR A 26 10.186 -2.825 -10.435 1.00 0.65 H new ATOM 0 HB THR A 26 12.051 -1.361 -11.849 1.00 0.70 H new ATOM 0 HG1 THR A 26 10.958 0.640 -12.309 1.00 0.71 H new ATOM 0 HG21 THR A 26 10.324 -1.288 -13.621 1.00 1.50 H new ATOM 0 HG22 THR A 26 10.300 -2.849 -12.768 1.00 1.50 H new ATOM 0 HG23 THR A 26 9.065 -1.620 -12.409 1.00 1.50 H new ATOM 417 N LEU A 27 12.718 -1.131 -9.134 1.00 0.70 N ATOM 418 CA LEU A 27 14.007 -1.325 -8.418 1.00 0.74 C ATOM 419 C LEU A 27 13.757 -1.376 -6.911 1.00 0.68 C ATOM 420 O LEU A 27 14.347 -2.165 -6.206 1.00 0.63 O ATOM 421 CB LEU A 27 14.944 -0.163 -8.751 1.00 0.98 C ATOM 422 CG LEU A 27 16.151 -0.687 -9.531 1.00 1.61 C ATOM 423 CD1 LEU A 27 16.888 -1.730 -8.690 1.00 1.54 C ATOM 424 CD2 LEU A 27 15.672 -1.330 -10.835 1.00 3.88 C ATOM 0 H LEU A 27 12.450 -0.159 -9.289 1.00 0.70 H new ATOM 0 HA LEU A 27 14.464 -2.263 -8.732 1.00 0.74 H new ATOM 0 HB2 LEU A 27 14.415 0.587 -9.339 1.00 0.98 H new ATOM 0 HB3 LEU A 27 15.274 0.326 -7.834 1.00 0.98 H new ATOM 0 HG LEU A 27 16.825 0.139 -9.757 1.00 1.61 H new ATOM 0 HD11 LEU A 27 17.748 -2.104 -9.246 1.00 1.54 H new ATOM 0 HD12 LEU A 27 17.227 -1.274 -7.760 1.00 1.54 H new ATOM 0 HD13 LEU A 27 16.215 -2.557 -8.464 1.00 1.54 H new ATOM 0 HD21 LEU A 27 16.530 -1.704 -11.393 1.00 3.88 H new ATOM 0 HD22 LEU A 27 14.999 -2.156 -10.607 1.00 3.88 H new ATOM 0 HD23 LEU A 27 15.145 -0.588 -11.435 1.00 3.88 H new ATOM 436 N CYS A 28 12.886 -0.550 -6.409 1.00 0.74 N ATOM 437 CA CYS A 28 12.609 -0.577 -4.946 1.00 0.79 C ATOM 438 C CYS A 28 11.587 -1.681 -4.628 1.00 0.67 C ATOM 439 O CYS A 28 11.345 -1.996 -3.480 1.00 0.82 O ATOM 440 CB CYS A 28 12.062 0.781 -4.497 1.00 0.95 C ATOM 441 SG CYS A 28 13.410 1.775 -3.807 1.00 1.75 S ATOM 0 H CYS A 28 12.356 0.139 -6.943 1.00 0.74 H new ATOM 0 HA CYS A 28 13.536 -0.784 -4.411 1.00 0.79 H new ATOM 0 HB2 CYS A 28 11.608 1.300 -5.341 1.00 0.95 H new ATOM 0 HB3 CYS A 28 11.280 0.642 -3.751 1.00 0.95 H new ATOM 446 N THR A 29 10.991 -2.277 -5.632 1.00 0.46 N ATOM 447 CA THR A 29 10.000 -3.360 -5.378 1.00 0.37 C ATOM 448 C THR A 29 10.697 -4.724 -5.339 1.00 0.32 C ATOM 449 O THR A 29 10.052 -5.752 -5.384 1.00 0.33 O ATOM 450 CB THR A 29 8.951 -3.359 -6.486 1.00 0.22 C ATOM 451 OG1 THR A 29 9.583 -3.132 -7.738 1.00 0.31 O ATOM 452 CG2 THR A 29 7.940 -2.250 -6.211 1.00 0.20 C ATOM 0 H THR A 29 11.150 -2.058 -6.615 1.00 0.46 H new ATOM 0 HA THR A 29 9.522 -3.180 -4.415 1.00 0.37 H new ATOM 0 HB THR A 29 8.441 -4.322 -6.513 1.00 0.22 H new ATOM 0 HG1 THR A 29 8.998 -3.441 -8.461 1.00 0.31 H new ATOM 0 HG21 THR A 29 7.186 -2.242 -6.998 1.00 0.20 H new ATOM 0 HG22 THR A 29 7.459 -2.427 -5.249 1.00 0.20 H new ATOM 0 HG23 THR A 29 8.452 -1.288 -6.189 1.00 0.20 H new ATOM 460 N GLU A 30 12.003 -4.747 -5.269 1.00 0.32 N ATOM 461 CA GLU A 30 12.725 -6.046 -5.232 1.00 0.40 C ATOM 462 C GLU A 30 12.860 -6.505 -3.770 1.00 0.62 C ATOM 463 O GLU A 30 13.943 -6.754 -3.279 1.00 1.10 O ATOM 464 CB GLU A 30 14.109 -5.853 -5.868 1.00 0.34 C ATOM 465 CG GLU A 30 14.949 -4.911 -5.004 1.00 1.67 C ATOM 466 CD GLU A 30 16.164 -5.663 -4.461 1.00 2.19 C ATOM 467 OE1 GLU A 30 16.825 -6.326 -5.244 1.00 1.77 O ATOM 468 OE2 GLU A 30 16.416 -5.561 -3.271 1.00 3.15 O ATOM 0 H GLU A 30 12.598 -3.919 -5.236 1.00 0.32 H new ATOM 0 HA GLU A 30 12.178 -6.808 -5.787 1.00 0.40 H new ATOM 0 HB2 GLU A 30 14.611 -6.815 -5.967 1.00 0.34 H new ATOM 0 HB3 GLU A 30 14.004 -5.443 -6.873 1.00 0.34 H new ATOM 0 HG2 GLU A 30 15.273 -4.053 -5.593 1.00 1.67 H new ATOM 0 HG3 GLU A 30 14.349 -4.525 -4.180 1.00 1.67 H new ATOM 475 N LEU A 31 11.755 -6.616 -3.073 1.00 0.43 N ATOM 476 CA LEU A 31 11.787 -7.051 -1.648 1.00 0.65 C ATOM 477 C LEU A 31 10.598 -7.971 -1.389 1.00 0.68 C ATOM 478 O LEU A 31 9.516 -7.519 -1.086 1.00 1.41 O ATOM 479 CB LEU A 31 11.691 -5.827 -0.731 1.00 0.79 C ATOM 480 CG LEU A 31 12.659 -4.743 -1.211 1.00 0.78 C ATOM 481 CD1 LEU A 31 12.418 -3.456 -0.418 1.00 1.12 C ATOM 482 CD2 LEU A 31 14.098 -5.213 -0.992 1.00 0.41 C ATOM 0 H LEU A 31 10.823 -6.421 -3.439 1.00 0.43 H new ATOM 0 HA LEU A 31 12.720 -7.578 -1.445 1.00 0.65 H new ATOM 0 HB2 LEU A 31 10.671 -5.442 -0.729 1.00 0.79 H new ATOM 0 HB3 LEU A 31 11.927 -6.110 0.295 1.00 0.79 H new ATOM 0 HG LEU A 31 12.495 -4.553 -2.272 1.00 0.78 H new ATOM 0 HD11 LEU A 31 13.107 -2.684 -0.760 1.00 1.12 H new ATOM 0 HD12 LEU A 31 11.392 -3.121 -0.572 1.00 1.12 H new ATOM 0 HD13 LEU A 31 12.583 -3.646 0.643 1.00 1.12 H new ATOM 0 HD21 LEU A 31 14.789 -4.442 -1.333 1.00 0.41 H new ATOM 0 HD22 LEU A 31 14.261 -5.402 0.069 1.00 0.41 H new ATOM 0 HD23 LEU A 31 14.271 -6.130 -1.555 1.00 0.41 H new ATOM 494 N THR A 32 10.803 -9.252 -1.529 1.00 0.18 N ATOM 495 CA THR A 32 9.707 -10.251 -1.318 1.00 0.29 C ATOM 496 C THR A 32 8.950 -9.992 -0.022 1.00 0.45 C ATOM 497 O THR A 32 9.268 -10.518 1.027 1.00 1.20 O ATOM 498 CB THR A 32 10.309 -11.655 -1.288 1.00 0.32 C ATOM 499 OG1 THR A 32 11.516 -11.636 -0.536 1.00 0.35 O ATOM 500 CG2 THR A 32 10.602 -12.111 -2.719 1.00 0.27 C ATOM 0 H THR A 32 11.702 -9.660 -1.786 1.00 0.18 H new ATOM 0 HA THR A 32 8.998 -10.159 -2.141 1.00 0.29 H new ATOM 0 HB THR A 32 9.605 -12.346 -0.824 1.00 0.32 H new ATOM 0 HG1 THR A 32 11.351 -11.222 0.337 1.00 0.35 H new ATOM 0 HG21 THR A 32 11.032 -13.113 -2.701 1.00 0.27 H new ATOM 0 HG22 THR A 32 9.676 -12.124 -3.294 1.00 0.27 H new ATOM 0 HG23 THR A 32 11.307 -11.422 -3.183 1.00 0.27 H new ATOM 508 N VAL A 33 7.927 -9.199 -0.112 1.00 0.82 N ATOM 509 CA VAL A 33 7.095 -8.903 1.083 1.00 0.84 C ATOM 510 C VAL A 33 6.023 -10.003 1.228 1.00 0.85 C ATOM 511 O VAL A 33 6.292 -11.059 1.764 1.00 1.54 O ATOM 512 CB VAL A 33 6.452 -7.502 0.963 1.00 0.89 C ATOM 513 CG1 VAL A 33 7.473 -6.443 1.376 1.00 1.20 C ATOM 514 CG2 VAL A 33 6.012 -7.214 -0.479 1.00 1.21 C ATOM 0 H VAL A 33 7.627 -8.737 -0.971 1.00 0.82 H new ATOM 0 HA VAL A 33 7.720 -8.896 1.976 1.00 0.84 H new ATOM 0 HB VAL A 33 5.577 -7.474 1.612 1.00 0.89 H new ATOM 0 HG11 VAL A 33 7.024 -5.453 1.293 1.00 1.20 H new ATOM 0 HG12 VAL A 33 7.781 -6.617 2.407 1.00 1.20 H new ATOM 0 HG13 VAL A 33 8.344 -6.503 0.723 1.00 1.20 H new ATOM 0 HG21 VAL A 33 5.564 -6.222 -0.531 1.00 1.21 H new ATOM 0 HG22 VAL A 33 6.878 -7.256 -1.139 1.00 1.21 H new ATOM 0 HG23 VAL A 33 5.281 -7.959 -0.792 1.00 1.21 H new ATOM 524 N THR A 34 4.822 -9.796 0.750 1.00 1.04 N ATOM 525 CA THR A 34 3.780 -10.853 0.884 1.00 1.02 C ATOM 526 C THR A 34 2.621 -10.573 -0.074 1.00 0.95 C ATOM 527 O THR A 34 2.205 -9.444 -0.250 1.00 0.87 O ATOM 528 CB THR A 34 3.252 -10.865 2.324 1.00 0.97 C ATOM 529 OG1 THR A 34 3.880 -11.912 3.049 1.00 1.22 O ATOM 530 CG2 THR A 34 1.736 -11.085 2.323 1.00 0.76 C ATOM 0 H THR A 34 4.521 -8.945 0.276 1.00 1.04 H new ATOM 0 HA THR A 34 4.220 -11.820 0.641 1.00 1.02 H new ATOM 0 HB THR A 34 3.475 -9.907 2.794 1.00 0.97 H new ATOM 0 HG1 THR A 34 4.833 -11.940 2.823 1.00 1.22 H new ATOM 0 HG21 THR A 34 1.369 -11.092 3.349 1.00 0.76 H new ATOM 0 HG22 THR A 34 1.252 -10.280 1.770 1.00 0.76 H new ATOM 0 HG23 THR A 34 1.507 -12.039 1.849 1.00 0.76 H new ATOM 538 N ASP A 35 2.085 -11.598 -0.681 1.00 1.01 N ATOM 539 CA ASP A 35 0.942 -11.400 -1.614 1.00 0.96 C ATOM 540 C ASP A 35 -0.346 -11.853 -0.921 1.00 0.75 C ATOM 541 O ASP A 35 -0.567 -13.028 -0.707 1.00 1.00 O ATOM 542 CB ASP A 35 1.157 -12.233 -2.879 1.00 1.32 C ATOM 543 CG ASP A 35 1.348 -11.299 -4.076 1.00 2.22 C ATOM 544 OD1 ASP A 35 2.181 -10.414 -3.984 1.00 3.49 O ATOM 545 OD2 ASP A 35 0.656 -11.486 -5.063 1.00 2.05 O ATOM 0 H ASP A 35 2.391 -12.565 -0.570 1.00 1.01 H new ATOM 0 HA ASP A 35 0.869 -10.347 -1.887 1.00 0.96 H new ATOM 0 HB2 ASP A 35 2.030 -12.875 -2.761 1.00 1.32 H new ATOM 0 HB3 ASP A 35 0.301 -12.887 -3.047 1.00 1.32 H new ATOM 550 N ILE A 36 -1.193 -10.928 -0.561 1.00 0.44 N ATOM 551 CA ILE A 36 -2.459 -11.303 0.130 1.00 0.34 C ATOM 552 C ILE A 36 -3.594 -11.480 -0.890 1.00 0.30 C ATOM 553 O ILE A 36 -4.757 -11.433 -0.543 1.00 0.29 O ATOM 554 CB ILE A 36 -2.826 -10.200 1.127 1.00 0.21 C ATOM 555 CG1 ILE A 36 -3.650 -9.120 0.419 1.00 0.41 C ATOM 556 CG2 ILE A 36 -1.546 -9.576 1.687 1.00 0.17 C ATOM 557 CD1 ILE A 36 -3.468 -7.782 1.141 1.00 0.34 C ATOM 0 H ILE A 36 -1.063 -9.928 -0.716 1.00 0.44 H new ATOM 0 HA ILE A 36 -2.317 -12.247 0.655 1.00 0.34 H new ATOM 0 HB ILE A 36 -3.412 -10.627 1.941 1.00 0.21 H new ATOM 0 HG12 ILE A 36 -3.334 -9.030 -0.620 1.00 0.41 H new ATOM 0 HG13 ILE A 36 -4.703 -9.400 0.409 1.00 0.41 H new ATOM 0 HG21 ILE A 36 -1.805 -8.790 2.397 1.00 0.17 H new ATOM 0 HG22 ILE A 36 -0.958 -10.343 2.192 1.00 0.17 H new ATOM 0 HG23 ILE A 36 -0.962 -9.150 0.871 1.00 0.17 H new ATOM 0 HD11 ILE A 36 -4.054 -7.014 0.637 1.00 0.34 H new ATOM 0 HD12 ILE A 36 -3.805 -7.877 2.173 1.00 0.34 H new ATOM 0 HD13 ILE A 36 -2.415 -7.502 1.128 1.00 0.34 H new ATOM 569 N PHE A 37 -3.276 -11.692 -2.141 1.00 0.34 N ATOM 570 CA PHE A 37 -4.350 -11.876 -3.160 1.00 0.31 C ATOM 571 C PHE A 37 -4.313 -13.312 -3.686 1.00 0.42 C ATOM 572 O PHE A 37 -4.659 -13.578 -4.820 1.00 0.46 O ATOM 573 CB PHE A 37 -4.127 -10.909 -4.325 1.00 0.25 C ATOM 574 CG PHE A 37 -3.985 -9.502 -3.799 1.00 0.23 C ATOM 575 CD1 PHE A 37 -5.123 -8.716 -3.587 1.00 0.36 C ATOM 576 CD2 PHE A 37 -2.714 -8.984 -3.526 1.00 0.32 C ATOM 577 CE1 PHE A 37 -4.990 -7.410 -3.103 1.00 0.34 C ATOM 578 CE2 PHE A 37 -2.581 -7.677 -3.041 1.00 0.43 C ATOM 579 CZ PHE A 37 -3.719 -6.891 -2.829 1.00 0.35 C ATOM 0 H PHE A 37 -2.322 -11.745 -2.499 1.00 0.34 H new ATOM 0 HA PHE A 37 -5.318 -11.676 -2.701 1.00 0.31 H new ATOM 0 HB2 PHE A 37 -3.232 -11.192 -4.879 1.00 0.25 H new ATOM 0 HB3 PHE A 37 -4.964 -10.964 -5.021 1.00 0.25 H new ATOM 0 HD1 PHE A 37 -6.104 -9.117 -3.797 1.00 0.36 H new ATOM 0 HD2 PHE A 37 -1.836 -9.592 -3.689 1.00 0.32 H new ATOM 0 HE1 PHE A 37 -5.868 -6.802 -2.941 1.00 0.34 H new ATOM 0 HE2 PHE A 37 -1.601 -7.276 -2.831 1.00 0.43 H new ATOM 0 HZ PHE A 37 -3.617 -5.883 -2.454 1.00 0.35 H new ATOM 589 N ALA A 38 -3.891 -14.241 -2.872 1.00 0.49 N ATOM 590 CA ALA A 38 -3.830 -15.658 -3.327 1.00 0.60 C ATOM 591 C ALA A 38 -5.248 -16.202 -3.495 1.00 1.01 C ATOM 592 O ALA A 38 -5.527 -16.968 -4.397 1.00 1.38 O ATOM 593 CB ALA A 38 -3.084 -16.494 -2.287 1.00 0.14 C ATOM 0 H ALA A 38 -3.586 -14.080 -1.912 1.00 0.49 H new ATOM 0 HA ALA A 38 -3.306 -15.711 -4.281 1.00 0.60 H new ATOM 0 HB1 ALA A 38 -3.039 -17.531 -2.619 1.00 0.14 H new ATOM 0 HB2 ALA A 38 -2.072 -16.107 -2.167 1.00 0.14 H new ATOM 0 HB3 ALA A 38 -3.609 -16.441 -1.333 1.00 0.14 H new ATOM 599 N ALA A 39 -6.147 -15.814 -2.635 1.00 1.09 N ATOM 600 CA ALA A 39 -7.547 -16.313 -2.745 1.00 1.65 C ATOM 601 C ALA A 39 -8.471 -15.432 -1.901 1.00 1.27 C ATOM 602 O ALA A 39 -8.816 -15.769 -0.785 1.00 1.35 O ATOM 603 CB ALA A 39 -7.614 -17.754 -2.241 1.00 2.28 C ATOM 0 H ALA A 39 -5.974 -15.173 -1.861 1.00 1.09 H new ATOM 0 HA ALA A 39 -7.865 -16.277 -3.787 1.00 1.65 H new ATOM 0 HB1 ALA A 39 -8.638 -18.120 -2.321 1.00 2.28 H new ATOM 0 HB2 ALA A 39 -6.956 -18.381 -2.843 1.00 2.28 H new ATOM 0 HB3 ALA A 39 -7.296 -17.790 -1.199 1.00 2.28 H new ATOM 609 N SER A 40 -8.875 -14.309 -2.424 1.00 1.43 N ATOM 610 CA SER A 40 -9.776 -13.407 -1.653 1.00 1.12 C ATOM 611 C SER A 40 -11.138 -14.078 -1.470 1.00 0.77 C ATOM 612 O SER A 40 -11.932 -14.156 -2.387 1.00 0.79 O ATOM 613 CB SER A 40 -9.949 -12.094 -2.416 1.00 1.19 C ATOM 614 OG SER A 40 -8.668 -11.541 -2.690 1.00 1.86 O ATOM 0 H SER A 40 -8.620 -13.976 -3.354 1.00 1.43 H new ATOM 0 HA SER A 40 -9.341 -13.205 -0.674 1.00 1.12 H new ATOM 0 HB2 SER A 40 -10.490 -12.268 -3.346 1.00 1.19 H new ATOM 0 HB3 SER A 40 -10.543 -11.394 -1.829 1.00 1.19 H new ATOM 0 HG SER A 40 -8.773 -10.699 -3.181 1.00 1.86 H new ATOM 620 N LYS A 41 -11.416 -14.567 -0.291 1.00 0.74 N ATOM 621 CA LYS A 41 -12.725 -15.234 -0.050 1.00 0.65 C ATOM 622 C LYS A 41 -13.552 -14.401 0.932 1.00 0.91 C ATOM 623 O LYS A 41 -14.765 -14.374 0.868 1.00 0.94 O ATOM 624 CB LYS A 41 -12.487 -16.627 0.534 1.00 0.94 C ATOM 625 CG LYS A 41 -12.873 -17.685 -0.501 1.00 0.72 C ATOM 626 CD LYS A 41 -14.332 -18.090 -0.295 1.00 0.76 C ATOM 627 CE LYS A 41 -14.425 -19.611 -0.151 1.00 1.04 C ATOM 628 NZ LYS A 41 -15.842 -20.040 -0.318 1.00 2.07 N ATOM 0 H LYS A 41 -10.792 -14.533 0.515 1.00 0.74 H new ATOM 0 HA LYS A 41 -13.266 -15.323 -0.992 1.00 0.65 H new ATOM 0 HB2 LYS A 41 -11.440 -16.742 0.814 1.00 0.94 H new ATOM 0 HB3 LYS A 41 -13.076 -16.758 1.442 1.00 0.94 H new ATOM 0 HG2 LYS A 41 -12.732 -17.293 -1.508 1.00 0.72 H new ATOM 0 HG3 LYS A 41 -12.225 -18.556 -0.405 1.00 0.72 H new ATOM 0 HD2 LYS A 41 -14.733 -17.605 0.595 1.00 0.76 H new ATOM 0 HD3 LYS A 41 -14.936 -17.757 -1.139 1.00 0.76 H new ATOM 0 HE2 LYS A 41 -13.796 -20.097 -0.897 1.00 1.04 H new ATOM 0 HE3 LYS A 41 -14.054 -19.918 0.827 1.00 1.04 H new ATOM 0 HZ1 LYS A 41 -15.906 -21.073 -0.220 1.00 2.07 H new ATOM 0 HZ2 LYS A 41 -16.430 -19.586 0.410 1.00 2.07 H new ATOM 0 HZ3 LYS A 41 -16.181 -19.760 -1.261 1.00 2.07 H new ATOM 642 N ASP A 42 -12.907 -13.720 1.840 1.00 1.21 N ATOM 643 CA ASP A 42 -13.663 -12.890 2.823 1.00 1.50 C ATOM 644 C ASP A 42 -12.999 -11.522 2.983 1.00 1.46 C ATOM 645 O ASP A 42 -13.267 -10.806 3.928 1.00 1.60 O ATOM 646 CB ASP A 42 -13.694 -13.603 4.175 1.00 2.12 C ATOM 647 CG ASP A 42 -14.955 -14.464 4.269 1.00 1.54 C ATOM 648 OD1 ASP A 42 -16.036 -13.908 4.175 1.00 1.04 O ATOM 649 OD2 ASP A 42 -14.817 -15.665 4.432 1.00 2.17 O ATOM 0 H ASP A 42 -11.892 -13.702 1.944 1.00 1.21 H new ATOM 0 HA ASP A 42 -14.680 -12.749 2.458 1.00 1.50 H new ATOM 0 HB2 ASP A 42 -12.807 -14.225 4.290 1.00 2.12 H new ATOM 0 HB3 ASP A 42 -13.678 -12.872 4.984 1.00 2.12 H new ATOM 654 N THR A 43 -12.154 -11.132 2.068 1.00 1.40 N ATOM 655 CA THR A 43 -11.515 -9.798 2.191 1.00 1.49 C ATOM 656 C THR A 43 -12.207 -8.834 1.239 1.00 1.32 C ATOM 657 O THR A 43 -12.095 -8.940 0.034 1.00 1.76 O ATOM 658 CB THR A 43 -10.032 -9.880 1.840 1.00 1.62 C ATOM 659 OG1 THR A 43 -9.887 -10.184 0.459 1.00 1.66 O ATOM 660 CG2 THR A 43 -9.363 -10.968 2.681 1.00 1.67 C ATOM 0 H THR A 43 -11.882 -11.676 1.249 1.00 1.40 H new ATOM 0 HA THR A 43 -11.610 -9.449 3.219 1.00 1.49 H new ATOM 0 HB THR A 43 -9.557 -8.922 2.051 1.00 1.62 H new ATOM 0 HG1 THR A 43 -10.487 -9.614 -0.066 1.00 1.66 H new ATOM 0 HG21 THR A 43 -8.304 -11.024 2.428 1.00 1.67 H new ATOM 0 HG22 THR A 43 -9.471 -10.728 3.739 1.00 1.67 H new ATOM 0 HG23 THR A 43 -9.836 -11.928 2.477 1.00 1.67 H new ATOM 668 N THR A 44 -12.936 -7.906 1.774 1.00 0.76 N ATOM 669 CA THR A 44 -13.654 -6.944 0.902 1.00 0.83 C ATOM 670 C THR A 44 -12.764 -5.736 0.590 1.00 0.85 C ATOM 671 O THR A 44 -12.028 -5.741 -0.377 1.00 1.70 O ATOM 672 CB THR A 44 -14.959 -6.512 1.581 1.00 0.85 C ATOM 673 OG1 THR A 44 -15.779 -7.654 1.785 1.00 1.82 O ATOM 674 CG2 THR A 44 -15.697 -5.509 0.694 1.00 1.53 C ATOM 0 H THR A 44 -13.067 -7.770 2.776 1.00 0.76 H new ATOM 0 HA THR A 44 -13.898 -7.426 -0.044 1.00 0.83 H new ATOM 0 HB THR A 44 -14.732 -6.044 2.539 1.00 0.85 H new ATOM 0 HG1 THR A 44 -16.614 -7.383 2.221 1.00 1.82 H new ATOM 0 HG21 THR A 44 -16.624 -5.205 1.181 1.00 1.53 H new ATOM 0 HG22 THR A 44 -15.068 -4.634 0.533 1.00 1.53 H new ATOM 0 HG23 THR A 44 -15.927 -5.972 -0.266 1.00 1.53 H new ATOM 682 N GLU A 45 -12.807 -4.710 1.388 1.00 0.29 N ATOM 683 CA GLU A 45 -11.944 -3.529 1.111 1.00 0.21 C ATOM 684 C GLU A 45 -11.247 -3.125 2.405 1.00 0.29 C ATOM 685 O GLU A 45 -10.058 -2.884 2.429 1.00 0.33 O ATOM 686 CB GLU A 45 -12.788 -2.367 0.562 1.00 0.20 C ATOM 687 CG GLU A 45 -13.626 -1.736 1.678 1.00 0.38 C ATOM 688 CD GLU A 45 -14.571 -0.692 1.080 1.00 0.63 C ATOM 689 OE1 GLU A 45 -14.674 -0.642 -0.135 1.00 0.31 O ATOM 690 OE2 GLU A 45 -15.176 0.040 1.846 1.00 1.69 O ATOM 0 H GLU A 45 -13.398 -4.636 2.216 1.00 0.29 H new ATOM 0 HA GLU A 45 -11.198 -3.782 0.358 1.00 0.21 H new ATOM 0 HB2 GLU A 45 -12.136 -1.614 0.119 1.00 0.20 H new ATOM 0 HB3 GLU A 45 -13.442 -2.728 -0.231 1.00 0.20 H new ATOM 0 HG2 GLU A 45 -14.198 -2.505 2.196 1.00 0.38 H new ATOM 0 HG3 GLU A 45 -12.974 -1.271 2.418 1.00 0.38 H new ATOM 697 N LYS A 46 -11.966 -3.083 3.488 1.00 0.36 N ATOM 698 CA LYS A 46 -11.333 -2.730 4.778 1.00 0.47 C ATOM 699 C LYS A 46 -10.541 -3.944 5.273 1.00 0.38 C ATOM 700 O LYS A 46 -9.610 -3.817 6.039 1.00 0.48 O ATOM 701 CB LYS A 46 -12.418 -2.350 5.787 1.00 0.55 C ATOM 702 CG LYS A 46 -13.328 -3.554 6.045 1.00 0.33 C ATOM 703 CD LYS A 46 -14.323 -3.218 7.158 1.00 0.32 C ATOM 704 CE LYS A 46 -13.747 -3.651 8.507 1.00 1.65 C ATOM 705 NZ LYS A 46 -14.699 -3.287 9.593 1.00 2.30 N ATOM 0 H LYS A 46 -12.966 -3.279 3.533 1.00 0.36 H new ATOM 0 HA LYS A 46 -10.660 -1.881 4.658 1.00 0.47 H new ATOM 0 HB2 LYS A 46 -11.961 -2.021 6.720 1.00 0.55 H new ATOM 0 HB3 LYS A 46 -13.005 -1.514 5.407 1.00 0.55 H new ATOM 0 HG2 LYS A 46 -13.863 -3.820 5.133 1.00 0.33 H new ATOM 0 HG3 LYS A 46 -12.730 -4.420 6.328 1.00 0.33 H new ATOM 0 HD2 LYS A 46 -14.528 -2.148 7.165 1.00 0.32 H new ATOM 0 HD3 LYS A 46 -15.272 -3.723 6.977 1.00 0.32 H new ATOM 0 HE2 LYS A 46 -13.569 -4.726 8.510 1.00 1.65 H new ATOM 0 HE3 LYS A 46 -12.784 -3.168 8.675 1.00 1.65 H new ATOM 0 HZ1 LYS A 46 -14.308 -3.581 10.511 1.00 2.30 H new ATOM 0 HZ2 LYS A 46 -14.847 -2.258 9.594 1.00 2.30 H new ATOM 0 HZ3 LYS A 46 -15.607 -3.768 9.434 1.00 2.30 H new ATOM 719 N GLU A 47 -10.883 -5.125 4.824 1.00 0.41 N ATOM 720 CA GLU A 47 -10.118 -6.318 5.265 1.00 0.47 C ATOM 721 C GLU A 47 -8.806 -6.364 4.484 1.00 0.45 C ATOM 722 O GLU A 47 -7.754 -6.642 5.027 1.00 0.54 O ATOM 723 CB GLU A 47 -10.925 -7.581 4.974 1.00 0.60 C ATOM 724 CG GLU A 47 -10.468 -8.705 5.905 1.00 1.53 C ATOM 725 CD GLU A 47 -11.000 -8.449 7.316 1.00 0.75 C ATOM 726 OE1 GLU A 47 -12.123 -8.844 7.585 1.00 0.24 O ATOM 727 OE2 GLU A 47 -10.277 -7.860 8.103 1.00 1.99 O ATOM 0 H GLU A 47 -11.651 -5.309 4.178 1.00 0.41 H new ATOM 0 HA GLU A 47 -9.920 -6.261 6.335 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -11.988 -7.387 5.116 1.00 0.60 H new ATOM 0 HB3 GLU A 47 -10.791 -7.879 3.934 1.00 0.60 H new ATOM 0 HG2 GLU A 47 -10.830 -9.665 5.537 1.00 1.53 H new ATOM 0 HG3 GLU A 47 -9.379 -8.759 5.920 1.00 1.53 H new ATOM 734 N THR A 48 -8.866 -6.097 3.206 1.00 0.40 N ATOM 735 CA THR A 48 -7.629 -6.128 2.374 1.00 0.40 C ATOM 736 C THR A 48 -6.652 -5.025 2.810 1.00 0.47 C ATOM 737 O THR A 48 -5.455 -5.212 2.772 1.00 0.60 O ATOM 738 CB THR A 48 -8.004 -5.928 0.904 1.00 0.44 C ATOM 739 OG1 THR A 48 -9.236 -6.584 0.641 1.00 0.58 O ATOM 740 CG2 THR A 48 -6.912 -6.517 0.008 1.00 0.59 C ATOM 0 H THR A 48 -9.720 -5.858 2.702 1.00 0.40 H new ATOM 0 HA THR A 48 -7.141 -7.094 2.506 1.00 0.40 H new ATOM 0 HB THR A 48 -8.103 -4.862 0.697 1.00 0.44 H new ATOM 0 HG1 THR A 48 -9.893 -5.931 0.321 1.00 0.58 H new ATOM 0 HG21 THR A 48 -7.183 -6.373 -1.038 1.00 0.59 H new ATOM 0 HG22 THR A 48 -5.966 -6.016 0.211 1.00 0.59 H new ATOM 0 HG23 THR A 48 -6.809 -7.583 0.212 1.00 0.59 H new ATOM 748 N PHE A 49 -7.137 -3.878 3.215 1.00 0.53 N ATOM 749 CA PHE A 49 -6.198 -2.788 3.637 1.00 0.70 C ATOM 750 C PHE A 49 -5.651 -3.079 5.032 1.00 0.61 C ATOM 751 O PHE A 49 -4.562 -2.675 5.374 1.00 0.71 O ATOM 752 CB PHE A 49 -6.916 -1.440 3.678 1.00 0.84 C ATOM 753 CG PHE A 49 -7.503 -1.121 2.329 1.00 0.78 C ATOM 754 CD1 PHE A 49 -6.806 -1.442 1.156 1.00 1.52 C ATOM 755 CD2 PHE A 49 -8.753 -0.507 2.254 1.00 0.66 C ATOM 756 CE1 PHE A 49 -7.366 -1.145 -0.091 1.00 1.54 C ATOM 757 CE2 PHE A 49 -9.313 -0.211 1.013 1.00 0.56 C ATOM 758 CZ PHE A 49 -8.621 -0.530 -0.163 1.00 0.73 C ATOM 0 H PHE A 49 -8.129 -3.648 3.272 1.00 0.53 H new ATOM 0 HA PHE A 49 -5.386 -2.749 2.911 1.00 0.70 H new ATOM 0 HB2 PHE A 49 -7.705 -1.463 4.430 1.00 0.84 H new ATOM 0 HB3 PHE A 49 -6.218 -0.657 3.973 1.00 0.84 H new ATOM 0 HD1 PHE A 49 -5.838 -1.918 1.215 1.00 1.52 H new ATOM 0 HD2 PHE A 49 -9.288 -0.261 3.159 1.00 0.66 H new ATOM 0 HE1 PHE A 49 -6.831 -1.390 -0.997 1.00 1.54 H new ATOM 0 HE2 PHE A 49 -10.281 0.265 0.957 1.00 0.56 H new ATOM 0 HZ PHE A 49 -9.056 -0.301 -1.125 1.00 0.73 H new ATOM 768 N CYS A 50 -6.403 -3.763 5.841 1.00 0.56 N ATOM 769 CA CYS A 50 -5.933 -4.077 7.219 1.00 0.68 C ATOM 770 C CYS A 50 -4.699 -4.985 7.115 1.00 0.61 C ATOM 771 O CYS A 50 -3.627 -4.656 7.578 1.00 0.47 O ATOM 772 CB CYS A 50 -7.063 -4.820 7.946 1.00 0.98 C ATOM 773 SG CYS A 50 -6.596 -5.166 9.657 1.00 0.67 S ATOM 0 H CYS A 50 -7.329 -4.122 5.608 1.00 0.56 H new ATOM 0 HA CYS A 50 -5.673 -3.170 7.764 1.00 0.68 H new ATOM 0 HB2 CYS A 50 -7.973 -4.220 7.926 1.00 0.98 H new ATOM 0 HB3 CYS A 50 -7.285 -5.753 7.428 1.00 0.98 H new ATOM 778 N ARG A 51 -4.841 -6.127 6.497 1.00 0.72 N ATOM 779 CA ARG A 51 -3.675 -7.049 6.355 1.00 0.69 C ATOM 780 C ARG A 51 -2.553 -6.341 5.588 1.00 0.66 C ATOM 781 O ARG A 51 -1.413 -6.312 6.016 1.00 0.65 O ATOM 782 CB ARG A 51 -4.106 -8.300 5.587 1.00 0.79 C ATOM 783 CG ARG A 51 -5.069 -9.123 6.447 1.00 0.54 C ATOM 784 CD ARG A 51 -5.325 -10.471 5.771 1.00 1.05 C ATOM 785 NE ARG A 51 -6.370 -11.220 6.529 1.00 1.14 N ATOM 786 CZ ARG A 51 -6.965 -12.265 6.002 1.00 1.12 C ATOM 787 NH1 ARG A 51 -6.662 -12.686 4.796 1.00 1.31 N ATOM 788 NH2 ARG A 51 -7.875 -12.899 6.691 1.00 1.93 N ATOM 0 H ARG A 51 -5.712 -6.462 6.085 1.00 0.72 H new ATOM 0 HA ARG A 51 -3.315 -7.334 7.344 1.00 0.69 H new ATOM 0 HB2 ARG A 51 -4.589 -8.017 4.652 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -3.233 -8.898 5.327 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -4.647 -9.276 7.441 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -6.008 -8.585 6.578 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -5.648 -10.317 4.741 1.00 1.05 H new ATOM 0 HD3 ARG A 51 -4.403 -11.051 5.733 1.00 1.05 H new ATOM 0 HE ARG A 51 -6.625 -10.916 7.469 1.00 1.14 H new ATOM 0 HH11 ARG A 51 -5.952 -12.199 4.249 1.00 1.31 H new ATOM 0 HH12 ARG A 51 -7.137 -13.500 4.406 1.00 1.31 H new ATOM 0 HH21 ARG A 51 -8.118 -12.581 7.629 1.00 1.93 H new ATOM 0 HH22 ARG A 51 -8.343 -13.712 6.291 1.00 1.93 H new ATOM 802 N ALA A 52 -2.867 -5.770 4.456 1.00 0.65 N ATOM 803 CA ALA A 52 -1.822 -5.062 3.660 1.00 0.63 C ATOM 804 C ALA A 52 -1.265 -3.875 4.453 1.00 0.63 C ATOM 805 O ALA A 52 -0.218 -3.354 4.135 1.00 0.54 O ATOM 806 CB ALA A 52 -2.431 -4.550 2.358 1.00 0.63 C ATOM 0 H ALA A 52 -3.802 -5.763 4.048 1.00 0.65 H new ATOM 0 HA ALA A 52 -1.014 -5.760 3.443 1.00 0.63 H new ATOM 0 HB1 ALA A 52 -1.667 -4.033 1.777 1.00 0.63 H new ATOM 0 HB2 ALA A 52 -2.818 -5.391 1.782 1.00 0.63 H new ATOM 0 HB3 ALA A 52 -3.244 -3.860 2.583 1.00 0.63 H new ATOM 812 N ALA A 53 -1.949 -3.441 5.478 1.00 0.72 N ATOM 813 CA ALA A 53 -1.436 -2.294 6.278 1.00 0.73 C ATOM 814 C ALA A 53 -0.310 -2.797 7.173 1.00 0.72 C ATOM 815 O ALA A 53 0.647 -2.098 7.432 1.00 0.73 O ATOM 816 CB ALA A 53 -2.554 -1.711 7.146 1.00 0.76 C ATOM 0 H ALA A 53 -2.837 -3.830 5.794 1.00 0.72 H new ATOM 0 HA ALA A 53 -1.072 -1.514 5.609 1.00 0.73 H new ATOM 0 HB1 ALA A 53 -2.166 -0.874 7.726 1.00 0.76 H new ATOM 0 HB2 ALA A 53 -3.367 -1.365 6.508 1.00 0.76 H new ATOM 0 HB3 ALA A 53 -2.927 -2.479 7.824 1.00 0.76 H new ATOM 822 N THR A 54 -0.415 -4.010 7.642 1.00 0.72 N ATOM 823 CA THR A 54 0.660 -4.565 8.510 1.00 0.72 C ATOM 824 C THR A 54 1.905 -4.766 7.651 1.00 0.66 C ATOM 825 O THR A 54 3.000 -4.367 8.004 1.00 0.63 O ATOM 826 CB THR A 54 0.213 -5.909 9.090 1.00 0.74 C ATOM 827 OG1 THR A 54 -0.282 -5.716 10.408 1.00 1.01 O ATOM 828 CG2 THR A 54 1.398 -6.875 9.124 1.00 0.78 C ATOM 0 H THR A 54 -1.197 -4.639 7.462 1.00 0.72 H new ATOM 0 HA THR A 54 0.872 -3.882 9.332 1.00 0.72 H new ATOM 0 HB THR A 54 -0.575 -6.328 8.464 1.00 0.74 H new ATOM 0 HG1 THR A 54 -0.570 -6.576 10.779 1.00 1.01 H new ATOM 0 HG21 THR A 54 1.076 -7.831 9.537 1.00 0.78 H new ATOM 0 HG22 THR A 54 1.774 -7.025 8.112 1.00 0.78 H new ATOM 0 HG23 THR A 54 2.189 -6.458 9.747 1.00 0.78 H new ATOM 836 N VAL A 55 1.735 -5.365 6.508 1.00 0.65 N ATOM 837 CA VAL A 55 2.893 -5.575 5.601 1.00 0.59 C ATOM 838 C VAL A 55 3.453 -4.205 5.205 1.00 0.56 C ATOM 839 O VAL A 55 4.643 -4.030 5.010 1.00 0.53 O ATOM 840 CB VAL A 55 2.423 -6.328 4.351 1.00 0.57 C ATOM 841 CG1 VAL A 55 3.637 -6.834 3.573 1.00 0.84 C ATOM 842 CG2 VAL A 55 1.553 -7.521 4.768 1.00 0.43 C ATOM 0 H VAL A 55 0.843 -5.719 6.163 1.00 0.65 H new ATOM 0 HA VAL A 55 3.667 -6.160 6.099 1.00 0.59 H new ATOM 0 HB VAL A 55 1.841 -5.655 3.721 1.00 0.57 H new ATOM 0 HG11 VAL A 55 3.302 -7.369 2.684 1.00 0.84 H new ATOM 0 HG12 VAL A 55 4.257 -5.988 3.275 1.00 0.84 H new ATOM 0 HG13 VAL A 55 4.219 -7.506 4.204 1.00 0.84 H new ATOM 0 HG21 VAL A 55 1.219 -8.056 3.879 1.00 0.43 H new ATOM 0 HG22 VAL A 55 2.135 -8.193 5.399 1.00 0.43 H new ATOM 0 HG23 VAL A 55 0.686 -7.163 5.323 1.00 0.43 H new ATOM 852 N LEU A 56 2.595 -3.226 5.103 1.00 0.59 N ATOM 853 CA LEU A 56 3.056 -1.861 4.737 1.00 0.57 C ATOM 854 C LEU A 56 3.907 -1.306 5.876 1.00 0.58 C ATOM 855 O LEU A 56 4.846 -0.567 5.660 1.00 0.55 O ATOM 856 CB LEU A 56 1.841 -0.955 4.521 1.00 0.67 C ATOM 857 CG LEU A 56 1.770 -0.535 3.052 1.00 0.56 C ATOM 858 CD1 LEU A 56 1.508 -1.763 2.182 1.00 0.84 C ATOM 859 CD2 LEU A 56 0.633 0.472 2.866 1.00 1.06 C ATOM 0 H LEU A 56 1.591 -3.316 5.259 1.00 0.59 H new ATOM 0 HA LEU A 56 3.644 -1.901 3.820 1.00 0.57 H new ATOM 0 HB2 LEU A 56 0.928 -1.479 4.804 1.00 0.67 H new ATOM 0 HB3 LEU A 56 1.913 -0.074 5.159 1.00 0.67 H new ATOM 0 HG LEU A 56 2.715 -0.077 2.759 1.00 0.56 H new ATOM 0 HD11 LEU A 56 1.457 -1.463 1.135 1.00 0.84 H new ATOM 0 HD12 LEU A 56 2.316 -2.482 2.315 1.00 0.84 H new ATOM 0 HD13 LEU A 56 0.563 -2.221 2.474 1.00 0.84 H new ATOM 0 HD21 LEU A 56 0.581 0.773 1.820 1.00 1.06 H new ATOM 0 HD22 LEU A 56 -0.311 0.013 3.159 1.00 1.06 H new ATOM 0 HD23 LEU A 56 0.818 1.349 3.487 1.00 1.06 H new ATOM 871 N ARG A 57 3.594 -1.668 7.089 1.00 0.61 N ATOM 872 CA ARG A 57 4.392 -1.172 8.242 1.00 0.63 C ATOM 873 C ARG A 57 5.806 -1.729 8.124 1.00 0.59 C ATOM 874 O ARG A 57 6.773 -1.067 8.438 1.00 0.69 O ATOM 875 CB ARG A 57 3.759 -1.650 9.551 1.00 0.68 C ATOM 876 CG ARG A 57 3.158 -0.456 10.295 1.00 0.74 C ATOM 877 CD ARG A 57 3.251 -0.696 11.802 1.00 0.49 C ATOM 878 NE ARG A 57 2.813 0.532 12.528 1.00 1.12 N ATOM 879 CZ ARG A 57 2.535 0.498 13.812 1.00 1.28 C ATOM 880 NH1 ARG A 57 2.635 -0.615 14.500 1.00 1.16 N ATOM 881 NH2 ARG A 57 2.151 1.590 14.411 1.00 1.99 N ATOM 0 H ARG A 57 2.820 -2.286 7.331 1.00 0.61 H new ATOM 0 HA ARG A 57 4.416 -0.082 8.239 1.00 0.63 H new ATOM 0 HB2 ARG A 57 2.985 -2.390 9.344 1.00 0.68 H new ATOM 0 HB3 ARG A 57 4.509 -2.139 10.173 1.00 0.68 H new ATOM 0 HG2 ARG A 57 3.689 0.458 10.028 1.00 0.74 H new ATOM 0 HG3 ARG A 57 2.117 -0.317 10.001 1.00 0.74 H new ATOM 0 HD2 ARG A 57 2.625 -1.542 12.086 1.00 0.49 H new ATOM 0 HD3 ARG A 57 4.274 -0.950 12.078 1.00 0.49 H new ATOM 0 HE ARG A 57 2.728 1.412 12.019 1.00 1.12 H new ATOM 0 HH11 ARG A 57 2.933 -1.475 14.039 1.00 1.16 H new ATOM 0 HH12 ARG A 57 2.415 -0.620 15.496 1.00 1.16 H new ATOM 0 HH21 ARG A 57 2.069 2.459 13.884 1.00 1.99 H new ATOM 0 HH22 ARG A 57 1.933 1.575 15.407 1.00 1.99 H new ATOM 895 N GLN A 58 5.933 -2.942 7.664 1.00 0.47 N ATOM 896 CA GLN A 58 7.286 -3.541 7.514 1.00 0.46 C ATOM 897 C GLN A 58 8.038 -2.823 6.388 1.00 0.39 C ATOM 898 O GLN A 58 9.251 -2.783 6.371 1.00 0.44 O ATOM 899 CB GLN A 58 7.156 -5.027 7.175 1.00 0.42 C ATOM 900 CG GLN A 58 7.642 -5.867 8.358 1.00 0.63 C ATOM 901 CD GLN A 58 9.153 -6.076 8.249 1.00 1.33 C ATOM 902 OE1 GLN A 58 9.848 -5.274 7.657 1.00 2.37 O ATOM 903 NE2 GLN A 58 9.697 -7.128 8.799 1.00 1.58 N ATOM 0 H GLN A 58 5.158 -3.544 7.386 1.00 0.47 H new ATOM 0 HA GLN A 58 7.837 -3.432 8.448 1.00 0.46 H new ATOM 0 HB2 GLN A 58 6.118 -5.269 6.946 1.00 0.42 H new ATOM 0 HB3 GLN A 58 7.741 -5.260 6.285 1.00 0.42 H new ATOM 0 HG2 GLN A 58 7.400 -5.367 9.296 1.00 0.63 H new ATOM 0 HG3 GLN A 58 7.131 -6.830 8.368 1.00 0.63 H new ATOM 0 HE21 GLN A 58 9.115 -7.802 9.296 1.00 1.58 H new ATOM 0 HE22 GLN A 58 10.704 -7.276 8.731 1.00 1.58 H new ATOM 912 N PHE A 59 7.331 -2.266 5.440 1.00 0.33 N ATOM 913 CA PHE A 59 8.017 -1.561 4.317 1.00 0.40 C ATOM 914 C PHE A 59 8.559 -0.204 4.793 1.00 0.50 C ATOM 915 O PHE A 59 9.749 0.038 4.780 1.00 0.89 O ATOM 916 CB PHE A 59 7.023 -1.337 3.169 1.00 0.37 C ATOM 917 CG PHE A 59 7.712 -0.641 2.011 1.00 0.65 C ATOM 918 CD1 PHE A 59 7.925 0.742 2.048 1.00 1.13 C ATOM 919 CD2 PHE A 59 8.128 -1.380 0.896 1.00 0.57 C ATOM 920 CE1 PHE A 59 8.554 1.386 0.977 1.00 1.41 C ATOM 921 CE2 PHE A 59 8.756 -0.734 -0.178 1.00 0.82 C ATOM 922 CZ PHE A 59 8.969 0.648 -0.136 1.00 1.22 C ATOM 0 H PHE A 59 6.312 -2.268 5.395 1.00 0.33 H new ATOM 0 HA PHE A 59 8.849 -2.175 3.971 1.00 0.40 H new ATOM 0 HB2 PHE A 59 6.616 -2.293 2.839 1.00 0.37 H new ATOM 0 HB3 PHE A 59 6.183 -0.736 3.517 1.00 0.37 H new ATOM 0 HD1 PHE A 59 7.603 1.314 2.906 1.00 1.13 H new ATOM 0 HD2 PHE A 59 7.965 -2.447 0.864 1.00 0.57 H new ATOM 0 HE1 PHE A 59 8.719 2.453 1.010 1.00 1.41 H new ATOM 0 HE2 PHE A 59 9.076 -1.303 -1.038 1.00 0.82 H new ATOM 0 HZ PHE A 59 9.454 1.145 -0.963 1.00 1.22 H new ATOM 932 N TYR A 60 7.696 0.693 5.185 1.00 0.20 N ATOM 933 CA TYR A 60 8.163 2.042 5.629 1.00 0.35 C ATOM 934 C TYR A 60 8.963 1.955 6.930 1.00 0.35 C ATOM 935 O TYR A 60 9.649 2.886 7.299 1.00 0.42 O ATOM 936 CB TYR A 60 6.954 2.952 5.852 1.00 0.46 C ATOM 937 CG TYR A 60 6.772 3.196 7.332 1.00 0.56 C ATOM 938 CD1 TYR A 60 6.053 2.279 8.110 1.00 0.64 C ATOM 939 CD2 TYR A 60 7.321 4.339 7.926 1.00 0.66 C ATOM 940 CE1 TYR A 60 5.884 2.507 9.482 1.00 0.82 C ATOM 941 CE2 TYR A 60 7.150 4.566 9.298 1.00 0.79 C ATOM 942 CZ TYR A 60 6.432 3.651 10.075 1.00 0.88 C ATOM 943 OH TYR A 60 6.263 3.875 11.427 1.00 1.06 O ATOM 0 H TYR A 60 6.686 0.552 5.218 1.00 0.20 H new ATOM 0 HA TYR A 60 8.809 2.448 4.850 1.00 0.35 H new ATOM 0 HB2 TYR A 60 7.098 3.899 5.332 1.00 0.46 H new ATOM 0 HB3 TYR A 60 6.058 2.492 5.436 1.00 0.46 H new ATOM 0 HD1 TYR A 60 5.629 1.397 7.652 1.00 0.64 H new ATOM 0 HD2 TYR A 60 7.876 5.045 7.327 1.00 0.66 H new ATOM 0 HE1 TYR A 60 5.331 1.800 10.083 1.00 0.82 H new ATOM 0 HE2 TYR A 60 7.573 5.448 9.756 1.00 0.79 H new ATOM 0 HH TYR A 60 6.706 4.712 11.678 1.00 1.06 H new ATOM 953 N SER A 61 8.880 0.869 7.639 1.00 0.30 N ATOM 954 CA SER A 61 9.643 0.771 8.914 1.00 0.31 C ATOM 955 C SER A 61 11.018 0.152 8.658 1.00 0.28 C ATOM 956 O SER A 61 12.042 0.736 8.953 1.00 0.16 O ATOM 957 CB SER A 61 8.868 -0.098 9.903 1.00 0.34 C ATOM 958 OG SER A 61 9.525 -0.075 11.162 1.00 0.92 O ATOM 0 H SER A 61 8.323 0.050 7.396 1.00 0.30 H new ATOM 0 HA SER A 61 9.776 1.770 9.328 1.00 0.31 H new ATOM 0 HB2 SER A 61 7.847 0.270 10.006 1.00 0.34 H new ATOM 0 HB3 SER A 61 8.803 -1.121 9.533 1.00 0.34 H new ATOM 0 HG SER A 61 10.260 -0.724 11.160 1.00 0.92 H new ATOM 964 N HIS A 62 11.045 -1.039 8.130 1.00 0.41 N ATOM 965 CA HIS A 62 12.350 -1.721 7.875 1.00 0.42 C ATOM 966 C HIS A 62 12.855 -1.432 6.459 1.00 0.54 C ATOM 967 O HIS A 62 14.038 -1.273 6.238 1.00 0.62 O ATOM 968 CB HIS A 62 12.170 -3.230 8.049 1.00 0.57 C ATOM 969 CG HIS A 62 11.946 -3.548 9.503 1.00 1.16 C ATOM 970 ND1 HIS A 62 11.887 -2.562 10.479 1.00 2.41 N ATOM 971 CD2 HIS A 62 11.762 -4.738 10.162 1.00 1.57 C ATOM 972 CE1 HIS A 62 11.677 -3.174 11.660 1.00 2.67 C ATOM 973 NE2 HIS A 62 11.592 -4.499 11.523 1.00 1.97 N ATOM 0 H HIS A 62 10.219 -1.574 7.862 1.00 0.41 H new ATOM 0 HA HIS A 62 13.084 -1.342 8.586 1.00 0.42 H new ATOM 0 HB2 HIS A 62 11.323 -3.576 7.456 1.00 0.57 H new ATOM 0 HB3 HIS A 62 13.052 -3.756 7.683 1.00 0.57 H new ATOM 0 HD2 HIS A 62 11.751 -5.712 9.695 1.00 1.57 H new ATOM 0 HE1 HIS A 62 11.588 -2.656 12.603 1.00 2.67 H new ATOM 0 HE2 HIS A 62 11.436 -5.189 12.258 1.00 1.97 H new ATOM 981 N HIS A 63 11.976 -1.386 5.494 1.00 0.65 N ATOM 982 CA HIS A 63 12.427 -1.136 4.090 1.00 0.81 C ATOM 983 C HIS A 63 12.470 0.368 3.780 1.00 0.86 C ATOM 984 O HIS A 63 12.368 0.770 2.638 1.00 1.28 O ATOM 985 CB HIS A 63 11.466 -1.824 3.119 1.00 1.04 C ATOM 986 CG HIS A 63 11.381 -3.288 3.454 1.00 1.52 C ATOM 987 ND1 HIS A 63 12.290 -3.905 4.299 1.00 2.34 N ATOM 988 CD2 HIS A 63 10.504 -4.271 3.065 1.00 1.67 C ATOM 989 CE1 HIS A 63 11.945 -5.202 4.390 1.00 2.73 C ATOM 990 NE2 HIS A 63 10.862 -5.479 3.657 1.00 2.23 N ATOM 0 H HIS A 63 10.971 -1.510 5.614 1.00 0.65 H new ATOM 0 HA HIS A 63 13.433 -1.540 3.976 1.00 0.81 H new ATOM 0 HB2 HIS A 63 10.478 -1.367 3.182 1.00 1.04 H new ATOM 0 HB3 HIS A 63 11.812 -1.694 2.094 1.00 1.04 H new ATOM 0 HD2 HIS A 63 9.664 -4.128 2.401 1.00 1.67 H new ATOM 0 HE1 HIS A 63 12.478 -5.931 4.983 1.00 2.73 H new ATOM 0 HE2 HIS A 63 10.398 -6.381 3.554 1.00 2.23 H new ATOM 998 N GLU A 64 12.636 1.205 4.769 1.00 0.52 N ATOM 999 CA GLU A 64 12.698 2.669 4.496 1.00 0.58 C ATOM 1000 C GLU A 64 14.151 3.064 4.222 1.00 0.84 C ATOM 1001 O GLU A 64 14.425 3.969 3.459 1.00 1.20 O ATOM 1002 CB GLU A 64 12.166 3.435 5.710 1.00 0.34 C ATOM 1003 CG GLU A 64 13.322 4.065 6.491 1.00 0.78 C ATOM 1004 CD GLU A 64 12.787 4.665 7.791 1.00 1.02 C ATOM 1005 OE1 GLU A 64 12.063 3.972 8.487 1.00 1.80 O ATOM 1006 OE2 GLU A 64 13.108 5.809 8.070 1.00 1.03 O ATOM 0 H GLU A 64 12.731 0.940 5.749 1.00 0.52 H new ATOM 0 HA GLU A 64 12.087 2.913 3.627 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.473 4.211 5.384 1.00 0.34 H new ATOM 0 HB3 GLU A 64 11.606 2.760 6.357 1.00 0.34 H new ATOM 0 HG2 GLU A 64 14.081 3.313 6.709 1.00 0.78 H new ATOM 0 HG3 GLU A 64 13.802 4.838 5.891 1.00 0.78 H new ATOM 1013 N LYS A 65 15.083 2.385 4.833 1.00 0.79 N ATOM 1014 CA LYS A 65 16.519 2.707 4.605 1.00 1.22 C ATOM 1015 C LYS A 65 17.236 1.445 4.126 1.00 1.36 C ATOM 1016 O LYS A 65 18.076 0.895 4.810 1.00 1.39 O ATOM 1017 CB LYS A 65 17.147 3.197 5.914 1.00 1.34 C ATOM 1018 CG LYS A 65 18.600 3.614 5.669 1.00 2.14 C ATOM 1019 CD LYS A 65 19.210 4.126 6.975 1.00 1.92 C ATOM 1020 CE LYS A 65 19.081 5.648 7.038 1.00 1.78 C ATOM 1021 NZ LYS A 65 20.094 6.268 6.139 1.00 3.19 N ATOM 0 H LYS A 65 14.910 1.618 5.483 1.00 0.79 H new ATOM 0 HA LYS A 65 16.612 3.490 3.852 1.00 1.22 H new ATOM 0 HB2 LYS A 65 16.579 4.040 6.307 1.00 1.34 H new ATOM 0 HB3 LYS A 65 17.107 2.408 6.665 1.00 1.34 H new ATOM 0 HG2 LYS A 65 19.175 2.767 5.294 1.00 2.14 H new ATOM 0 HG3 LYS A 65 18.643 4.391 4.906 1.00 2.14 H new ATOM 0 HD2 LYS A 65 18.704 3.672 7.827 1.00 1.92 H new ATOM 0 HD3 LYS A 65 20.259 3.837 7.036 1.00 1.92 H new ATOM 0 HE2 LYS A 65 18.078 5.952 6.738 1.00 1.78 H new ATOM 0 HE3 LYS A 65 19.226 5.994 8.061 1.00 1.78 H new ATOM 0 HZ1 LYS A 65 20.234 7.263 6.408 1.00 3.19 H new ATOM 0 HZ2 LYS A 65 20.995 5.756 6.225 1.00 3.19 H new ATOM 0 HZ3 LYS A 65 19.761 6.219 5.155 1.00 3.19 H new ATOM 1035 N ASP A 66 16.903 0.977 2.955 1.00 1.51 N ATOM 1036 CA ASP A 66 17.560 -0.251 2.429 1.00 1.70 C ATOM 1037 C ASP A 66 18.689 0.148 1.481 1.00 1.40 C ATOM 1038 O ASP A 66 18.562 1.074 0.704 1.00 1.30 O ATOM 1039 CB ASP A 66 16.533 -1.098 1.673 1.00 2.08 C ATOM 1040 CG ASP A 66 15.595 -1.779 2.672 1.00 2.48 C ATOM 1041 OD1 ASP A 66 15.772 -1.568 3.861 1.00 2.01 O ATOM 1042 OD2 ASP A 66 14.715 -2.500 2.231 1.00 4.01 O ATOM 0 H ASP A 66 16.204 1.393 2.340 1.00 1.51 H new ATOM 0 HA ASP A 66 17.966 -0.831 3.258 1.00 1.70 H new ATOM 0 HB2 ASP A 66 15.960 -0.470 0.991 1.00 2.08 H new ATOM 0 HB3 ASP A 66 17.041 -1.848 1.066 1.00 2.08 H new ATOM 1047 N THR A 67 19.791 -0.544 1.536 1.00 1.33 N ATOM 1048 CA THR A 67 20.928 -0.205 0.636 1.00 1.11 C ATOM 1049 C THR A 67 20.562 -0.560 -0.806 1.00 1.13 C ATOM 1050 O THR A 67 21.061 0.029 -1.745 1.00 0.97 O ATOM 1051 CB THR A 67 22.166 -1.000 1.059 1.00 1.33 C ATOM 1052 OG1 THR A 67 23.258 -0.656 0.216 1.00 2.11 O ATOM 1053 CG2 THR A 67 21.879 -2.497 0.941 1.00 3.11 C ATOM 0 H THR A 67 19.954 -1.330 2.165 1.00 1.33 H new ATOM 0 HA THR A 67 21.140 0.862 0.704 1.00 1.11 H new ATOM 0 HB THR A 67 22.415 -0.762 2.093 1.00 1.33 H new ATOM 0 HG1 THR A 67 24.052 -1.163 0.486 1.00 2.11 H new ATOM 0 HG21 THR A 67 22.761 -3.062 1.242 1.00 3.11 H new ATOM 0 HG22 THR A 67 21.042 -2.759 1.588 1.00 3.11 H new ATOM 0 HG23 THR A 67 21.629 -2.739 -0.092 1.00 3.11 H new ATOM 1061 N ARG A 68 19.695 -1.518 -0.993 1.00 1.41 N ATOM 1062 CA ARG A 68 19.302 -1.904 -2.376 1.00 1.58 C ATOM 1063 C ARG A 68 18.526 -0.755 -3.023 1.00 1.37 C ATOM 1064 O ARG A 68 18.825 -0.335 -4.124 1.00 1.44 O ATOM 1065 CB ARG A 68 18.425 -3.157 -2.323 1.00 1.94 C ATOM 1066 CG ARG A 68 19.196 -4.287 -1.637 1.00 1.53 C ATOM 1067 CD ARG A 68 18.241 -5.114 -0.774 1.00 1.11 C ATOM 1068 NE ARG A 68 18.885 -5.403 0.542 1.00 0.67 N ATOM 1069 CZ ARG A 68 18.183 -5.860 1.554 1.00 1.77 C ATOM 1070 NH1 ARG A 68 16.894 -6.081 1.445 1.00 2.73 N ATOM 1071 NH2 ARG A 68 18.779 -6.100 2.690 1.00 2.40 N ATOM 0 H ARG A 68 19.243 -2.049 -0.248 1.00 1.41 H new ATOM 0 HA ARG A 68 20.194 -2.113 -2.967 1.00 1.58 H new ATOM 0 HB2 ARG A 68 17.504 -2.947 -1.779 1.00 1.94 H new ATOM 0 HB3 ARG A 68 18.138 -3.457 -3.331 1.00 1.94 H new ATOM 0 HG2 ARG A 68 19.669 -4.923 -2.385 1.00 1.53 H new ATOM 0 HG3 ARG A 68 19.994 -3.873 -1.020 1.00 1.53 H new ATOM 0 HD2 ARG A 68 17.308 -4.572 -0.623 1.00 1.11 H new ATOM 0 HD3 ARG A 68 17.990 -6.046 -1.281 1.00 1.11 H new ATOM 0 HE ARG A 68 19.886 -5.243 0.657 1.00 0.67 H new ATOM 0 HH11 ARG A 68 16.418 -5.898 0.562 1.00 2.73 H new ATOM 0 HH12 ARG A 68 16.368 -6.436 2.244 1.00 2.73 H new ATOM 0 HH21 ARG A 68 19.781 -5.933 2.786 1.00 2.40 H new ATOM 0 HH22 ARG A 68 18.243 -6.455 3.482 1.00 2.40 H new ATOM 1085 N CYS A 69 17.536 -0.237 -2.349 1.00 1.19 N ATOM 1086 CA CYS A 69 16.751 0.889 -2.928 1.00 1.02 C ATOM 1087 C CYS A 69 17.700 2.032 -3.296 1.00 1.18 C ATOM 1088 O CYS A 69 17.456 2.783 -4.220 1.00 1.28 O ATOM 1089 CB CYS A 69 15.732 1.388 -1.899 1.00 0.93 C ATOM 1090 SG CYS A 69 14.105 0.675 -2.259 1.00 0.29 S ATOM 0 H CYS A 69 17.237 -0.545 -1.423 1.00 1.19 H new ATOM 0 HA CYS A 69 16.227 0.545 -3.820 1.00 1.02 H new ATOM 0 HB2 CYS A 69 16.048 1.109 -0.894 1.00 0.93 H new ATOM 0 HB3 CYS A 69 15.677 2.476 -1.925 1.00 0.93 H new ATOM 1095 N LEU A 70 18.780 2.171 -2.576 1.00 1.26 N ATOM 1096 CA LEU A 70 19.745 3.266 -2.881 1.00 1.53 C ATOM 1097 C LEU A 70 20.440 2.986 -4.216 1.00 1.62 C ATOM 1098 O LEU A 70 20.097 3.554 -5.234 1.00 1.79 O ATOM 1099 CB LEU A 70 20.792 3.345 -1.767 1.00 1.57 C ATOM 1100 CG LEU A 70 20.141 3.879 -0.489 1.00 1.32 C ATOM 1101 CD1 LEU A 70 21.167 3.880 0.645 1.00 1.38 C ATOM 1102 CD2 LEU A 70 19.646 5.306 -0.730 1.00 1.50 C ATOM 0 H LEU A 70 19.036 1.574 -1.790 1.00 1.26 H new ATOM 0 HA LEU A 70 19.208 4.213 -2.947 1.00 1.53 H new ATOM 0 HB2 LEU A 70 21.219 2.359 -1.585 1.00 1.57 H new ATOM 0 HB3 LEU A 70 21.612 3.997 -2.070 1.00 1.57 H new ATOM 0 HG LEU A 70 19.300 3.242 -0.216 1.00 1.32 H new ATOM 0 HD11 LEU A 70 20.703 4.260 1.555 1.00 1.38 H new ATOM 0 HD12 LEU A 70 21.521 2.863 0.816 1.00 1.38 H new ATOM 0 HD13 LEU A 70 22.009 4.517 0.373 1.00 1.38 H new ATOM 0 HD21 LEU A 70 19.182 5.688 0.179 1.00 1.50 H new ATOM 0 HD22 LEU A 70 20.488 5.942 -1.003 1.00 1.50 H new ATOM 0 HD23 LEU A 70 18.915 5.306 -1.538 1.00 1.50 H new ATOM 1114 N GLY A 71 21.416 2.120 -4.220 1.00 1.56 N ATOM 1115 CA GLY A 71 22.132 1.812 -5.491 1.00 1.73 C ATOM 1116 C GLY A 71 23.414 2.644 -5.566 1.00 1.75 C ATOM 1117 O GLY A 71 23.936 3.088 -4.563 1.00 1.39 O ATOM 0 H GLY A 71 21.748 1.613 -3.400 1.00 1.56 H new ATOM 0 HA2 GLY A 71 22.371 0.750 -5.538 1.00 1.73 H new ATOM 0 HA3 GLY A 71 21.492 2.033 -6.345 1.00 1.73 H new ATOM 1121 N ALA A 72 23.924 2.860 -6.747 1.00 2.34 N ATOM 1122 CA ALA A 72 25.170 3.665 -6.882 1.00 2.41 C ATOM 1123 C ALA A 72 24.818 5.070 -7.373 1.00 2.33 C ATOM 1124 O ALA A 72 25.540 5.668 -8.147 1.00 2.70 O ATOM 1125 CB ALA A 72 26.105 2.991 -7.888 1.00 2.59 C ATOM 0 H ALA A 72 23.532 2.514 -7.623 1.00 2.34 H new ATOM 0 HA ALA A 72 25.667 3.733 -5.914 1.00 2.41 H new ATOM 0 HB1 ALA A 72 27.017 3.579 -7.988 1.00 2.59 H new ATOM 0 HB2 ALA A 72 26.355 1.990 -7.538 1.00 2.59 H new ATOM 0 HB3 ALA A 72 25.609 2.923 -8.856 1.00 2.59 H new ATOM 1131 N THR A 73 23.712 5.602 -6.931 1.00 1.95 N ATOM 1132 CA THR A 73 23.313 6.968 -7.373 1.00 1.97 C ATOM 1133 C THR A 73 22.822 7.774 -6.168 1.00 1.77 C ATOM 1134 O THR A 73 22.255 7.235 -5.239 1.00 1.82 O ATOM 1135 CB THR A 73 22.189 6.861 -8.406 1.00 2.13 C ATOM 1136 OG1 THR A 73 22.451 5.770 -9.278 1.00 2.82 O ATOM 1137 CG2 THR A 73 22.112 8.157 -9.216 1.00 2.03 C ATOM 0 H THR A 73 23.067 5.150 -6.283 1.00 1.95 H new ATOM 0 HA THR A 73 24.172 7.470 -7.819 1.00 1.97 H new ATOM 0 HB THR A 73 21.240 6.698 -7.895 1.00 2.13 H new ATOM 0 HG1 THR A 73 21.731 5.699 -9.939 1.00 2.82 H new ATOM 0 HG21 THR A 73 21.311 8.079 -9.951 1.00 2.03 H new ATOM 0 HG22 THR A 73 21.910 8.993 -8.546 1.00 2.03 H new ATOM 0 HG23 THR A 73 23.060 8.323 -9.728 1.00 2.03 H new ATOM 1145 N ALA A 74 23.035 9.061 -6.177 1.00 1.60 N ATOM 1146 CA ALA A 74 22.579 9.901 -5.035 1.00 1.49 C ATOM 1147 C ALA A 74 21.127 10.326 -5.261 1.00 1.29 C ATOM 1148 O ALA A 74 20.367 10.502 -4.328 1.00 1.37 O ATOM 1149 CB ALA A 74 23.465 11.145 -4.933 1.00 1.38 C ATOM 0 H ALA A 74 23.506 9.567 -6.927 1.00 1.60 H new ATOM 0 HA ALA A 74 22.649 9.327 -4.111 1.00 1.49 H new ATOM 0 HB1 ALA A 74 23.132 11.761 -4.097 1.00 1.38 H new ATOM 0 HB2 ALA A 74 24.500 10.843 -4.772 1.00 1.38 H new ATOM 0 HB3 ALA A 74 23.395 11.719 -5.857 1.00 1.38 H new ATOM 1155 N GLN A 75 20.733 10.491 -6.494 1.00 1.11 N ATOM 1156 CA GLN A 75 19.330 10.905 -6.784 1.00 0.97 C ATOM 1157 C GLN A 75 18.358 9.891 -6.178 1.00 0.92 C ATOM 1158 O GLN A 75 17.326 10.249 -5.645 1.00 0.83 O ATOM 1159 CB GLN A 75 19.120 10.966 -8.299 1.00 1.09 C ATOM 1160 CG GLN A 75 19.202 12.418 -8.770 1.00 1.03 C ATOM 1161 CD GLN A 75 18.257 12.624 -9.957 1.00 2.01 C ATOM 1162 OE1 GLN A 75 18.546 12.199 -11.058 1.00 2.03 O ATOM 1163 NE2 GLN A 75 17.132 13.260 -9.777 1.00 3.30 N ATOM 0 H GLN A 75 21.323 10.357 -7.315 1.00 1.11 H new ATOM 0 HA GLN A 75 19.147 11.887 -6.349 1.00 0.97 H new ATOM 0 HB2 GLN A 75 19.876 10.366 -8.806 1.00 1.09 H new ATOM 0 HB3 GLN A 75 18.150 10.543 -8.559 1.00 1.09 H new ATOM 0 HG2 GLN A 75 18.933 13.091 -7.956 1.00 1.03 H new ATOM 0 HG3 GLN A 75 20.225 12.660 -9.059 1.00 1.03 H new ATOM 0 HE21 GLN A 75 16.890 13.617 -8.852 1.00 3.30 H new ATOM 0 HE22 GLN A 75 16.495 13.401 -10.561 1.00 3.30 H new ATOM 1172 N GLN A 76 18.674 8.627 -6.258 1.00 1.01 N ATOM 1173 CA GLN A 76 17.764 7.593 -5.690 1.00 0.98 C ATOM 1174 C GLN A 76 17.550 7.860 -4.199 1.00 0.85 C ATOM 1175 O GLN A 76 16.473 7.666 -3.672 1.00 0.73 O ATOM 1176 CB GLN A 76 18.382 6.207 -5.879 1.00 1.04 C ATOM 1177 CG GLN A 76 17.324 5.246 -6.424 1.00 1.65 C ATOM 1178 CD GLN A 76 17.458 5.147 -7.944 1.00 1.29 C ATOM 1179 OE1 GLN A 76 17.499 4.063 -8.492 1.00 2.11 O ATOM 1180 NE2 GLN A 76 17.530 6.240 -8.653 1.00 1.82 N ATOM 0 H GLN A 76 19.523 8.266 -6.692 1.00 1.01 H new ATOM 0 HA GLN A 76 16.804 7.634 -6.205 1.00 0.98 H new ATOM 0 HB2 GLN A 76 19.225 6.264 -6.567 1.00 1.04 H new ATOM 0 HB3 GLN A 76 18.770 5.837 -4.930 1.00 1.04 H new ATOM 0 HG2 GLN A 76 17.445 4.261 -5.973 1.00 1.65 H new ATOM 0 HG3 GLN A 76 16.327 5.598 -6.158 1.00 1.65 H new ATOM 0 HE21 GLN A 76 17.496 7.150 -8.193 1.00 1.82 H new ATOM 0 HE22 GLN A 76 17.621 6.185 -9.667 1.00 1.82 H new ATOM 1189 N PHE A 77 18.567 8.306 -3.514 1.00 0.94 N ATOM 1190 CA PHE A 77 18.416 8.586 -2.058 1.00 0.85 C ATOM 1191 C PHE A 77 17.418 9.729 -1.863 1.00 0.63 C ATOM 1192 O PHE A 77 16.657 9.748 -0.917 1.00 0.44 O ATOM 1193 CB PHE A 77 19.772 8.984 -1.469 1.00 1.05 C ATOM 1194 CG PHE A 77 19.971 8.286 -0.144 1.00 1.33 C ATOM 1195 CD1 PHE A 77 18.920 8.225 0.779 1.00 1.86 C ATOM 1196 CD2 PHE A 77 21.206 7.702 0.163 1.00 1.27 C ATOM 1197 CE1 PHE A 77 19.104 7.580 2.007 1.00 2.12 C ATOM 1198 CE2 PHE A 77 21.388 7.057 1.392 1.00 1.52 C ATOM 1199 CZ PHE A 77 20.338 6.995 2.314 1.00 1.87 C ATOM 0 H PHE A 77 19.494 8.488 -3.898 1.00 0.94 H new ATOM 0 HA PHE A 77 18.051 7.693 -1.551 1.00 0.85 H new ATOM 0 HB2 PHE A 77 20.573 8.715 -2.158 1.00 1.05 H new ATOM 0 HB3 PHE A 77 19.818 10.065 -1.333 1.00 1.05 H new ATOM 0 HD1 PHE A 77 17.967 8.676 0.543 1.00 1.86 H new ATOM 0 HD2 PHE A 77 22.018 7.749 -0.548 1.00 1.27 H new ATOM 0 HE1 PHE A 77 18.293 7.533 2.719 1.00 2.12 H new ATOM 0 HE2 PHE A 77 22.341 6.607 1.629 1.00 1.52 H new ATOM 0 HZ PHE A 77 20.479 6.496 3.262 1.00 1.87 H new ATOM 1209 N HIS A 78 17.413 10.683 -2.753 1.00 0.75 N ATOM 1210 CA HIS A 78 16.463 11.824 -2.620 1.00 0.59 C ATOM 1211 C HIS A 78 15.028 11.305 -2.712 1.00 0.50 C ATOM 1212 O HIS A 78 14.237 11.467 -1.803 1.00 0.79 O ATOM 1213 CB HIS A 78 16.715 12.828 -3.747 1.00 0.88 C ATOM 1214 CG HIS A 78 16.074 14.145 -3.403 1.00 0.67 C ATOM 1215 ND1 HIS A 78 16.218 14.737 -2.159 1.00 1.95 N ATOM 1216 CD2 HIS A 78 15.287 14.997 -4.136 1.00 1.51 C ATOM 1217 CE1 HIS A 78 15.533 15.895 -2.180 1.00 1.82 C ATOM 1218 NE2 HIS A 78 14.946 16.103 -3.361 1.00 0.88 N ATOM 0 H HIS A 78 18.026 10.722 -3.567 1.00 0.75 H new ATOM 0 HA HIS A 78 16.612 12.312 -1.657 1.00 0.59 H new ATOM 0 HB2 HIS A 78 17.787 12.962 -3.896 1.00 0.88 H new ATOM 0 HB3 HIS A 78 16.308 12.448 -4.684 1.00 0.88 H new ATOM 0 HD2 HIS A 78 14.979 14.835 -5.158 1.00 1.51 H new ATOM 0 HE1 HIS A 78 15.466 16.574 -1.343 1.00 1.82 H new ATOM 0 HE2 HIS A 78 14.372 16.900 -3.636 1.00 0.88 H new ATOM 1226 N ARG A 79 14.683 10.685 -3.804 1.00 0.56 N ATOM 1227 CA ARG A 79 13.297 10.158 -3.959 1.00 0.86 C ATOM 1228 C ARG A 79 13.000 9.122 -2.867 1.00 0.82 C ATOM 1229 O ARG A 79 11.857 8.829 -2.580 1.00 1.02 O ATOM 1230 CB ARG A 79 13.146 9.506 -5.336 1.00 1.22 C ATOM 1231 CG ARG A 79 11.695 9.639 -5.803 1.00 2.48 C ATOM 1232 CD ARG A 79 11.615 10.654 -6.945 1.00 2.22 C ATOM 1233 NE ARG A 79 10.208 11.127 -7.090 1.00 3.70 N ATOM 1234 CZ ARG A 79 9.921 12.196 -7.798 1.00 4.01 C ATOM 1235 NH1 ARG A 79 10.860 12.881 -8.404 1.00 3.21 N ATOM 1236 NH2 ARG A 79 8.679 12.580 -7.903 1.00 5.31 N ATOM 0 H ARG A 79 15.301 10.519 -4.598 1.00 0.56 H new ATOM 0 HA ARG A 79 12.592 10.984 -3.866 1.00 0.86 H new ATOM 0 HB2 ARG A 79 13.816 9.983 -6.052 1.00 1.22 H new ATOM 0 HB3 ARG A 79 13.429 8.455 -5.286 1.00 1.22 H new ATOM 0 HG2 ARG A 79 11.319 8.671 -6.136 1.00 2.48 H new ATOM 0 HG3 ARG A 79 11.063 9.958 -4.974 1.00 2.48 H new ATOM 0 HD2 ARG A 79 12.275 11.498 -6.743 1.00 2.22 H new ATOM 0 HD3 ARG A 79 11.955 10.199 -7.875 1.00 2.22 H new ATOM 0 HE ARG A 79 9.456 10.612 -6.632 1.00 3.70 H new ATOM 0 HH11 ARG A 79 11.834 12.587 -8.331 1.00 3.21 H new ATOM 0 HH12 ARG A 79 10.617 13.708 -8.949 1.00 3.21 H new ATOM 0 HH21 ARG A 79 7.941 12.052 -7.438 1.00 5.31 H new ATOM 0 HH22 ARG A 79 8.446 13.409 -8.450 1.00 5.31 H new ATOM 1250 N HIS A 80 14.012 8.561 -2.255 1.00 0.60 N ATOM 1251 CA HIS A 80 13.767 7.547 -1.186 1.00 0.64 C ATOM 1252 C HIS A 80 13.199 8.235 0.057 1.00 0.71 C ATOM 1253 O HIS A 80 12.190 7.827 0.599 1.00 0.70 O ATOM 1254 CB HIS A 80 15.085 6.859 -0.826 1.00 0.49 C ATOM 1255 CG HIS A 80 14.801 5.487 -0.284 1.00 0.45 C ATOM 1256 ND1 HIS A 80 13.528 5.091 0.092 1.00 0.48 N ATOM 1257 CD2 HIS A 80 15.613 4.405 -0.052 1.00 1.07 C ATOM 1258 CE1 HIS A 80 13.609 3.820 0.526 1.00 0.36 C ATOM 1259 NE2 HIS A 80 14.859 3.355 0.461 1.00 1.02 N ATOM 0 H HIS A 80 14.993 8.760 -2.449 1.00 0.60 H new ATOM 0 HA HIS A 80 13.053 6.807 -1.548 1.00 0.64 H new ATOM 0 HB2 HIS A 80 15.724 6.789 -1.707 1.00 0.49 H new ATOM 0 HB3 HIS A 80 15.626 7.449 -0.086 1.00 0.49 H new ATOM 0 HD2 HIS A 80 16.676 4.374 -0.239 1.00 1.07 H new ATOM 0 HE1 HIS A 80 12.766 3.246 0.883 1.00 0.36 H new ATOM 0 HE2 HIS A 80 15.190 2.428 0.730 1.00 1.02 H new ATOM 1267 N LYS A 81 13.842 9.272 0.516 1.00 0.83 N ATOM 1268 CA LYS A 81 13.341 9.986 1.725 1.00 0.94 C ATOM 1269 C LYS A 81 11.917 10.485 1.470 1.00 0.97 C ATOM 1270 O LYS A 81 11.122 10.614 2.381 1.00 1.02 O ATOM 1271 CB LYS A 81 14.257 11.176 2.025 1.00 1.09 C ATOM 1272 CG LYS A 81 14.096 11.590 3.489 1.00 1.16 C ATOM 1273 CD LYS A 81 14.684 10.506 4.394 1.00 2.62 C ATOM 1274 CE LYS A 81 15.421 11.161 5.563 1.00 2.65 C ATOM 1275 NZ LYS A 81 16.023 10.105 6.425 1.00 4.18 N ATOM 0 H LYS A 81 14.693 9.657 0.107 1.00 0.83 H new ATOM 0 HA LYS A 81 13.337 9.306 2.577 1.00 0.94 H new ATOM 0 HB2 LYS A 81 15.295 10.909 1.824 1.00 1.09 H new ATOM 0 HB3 LYS A 81 14.010 12.012 1.371 1.00 1.09 H new ATOM 0 HG2 LYS A 81 14.600 12.540 3.667 1.00 1.16 H new ATOM 0 HG3 LYS A 81 13.042 11.740 3.722 1.00 1.16 H new ATOM 0 HD2 LYS A 81 13.890 9.859 4.767 1.00 2.62 H new ATOM 0 HD3 LYS A 81 15.368 9.875 3.826 1.00 2.62 H new ATOM 0 HE2 LYS A 81 16.198 11.827 5.189 1.00 2.65 H new ATOM 0 HE3 LYS A 81 14.731 11.771 6.146 1.00 2.65 H new ATOM 0 HZ1 LYS A 81 16.524 10.550 7.220 1.00 4.18 H new ATOM 0 HZ2 LYS A 81 15.272 9.486 6.792 1.00 4.18 H new ATOM 0 HZ3 LYS A 81 16.694 9.541 5.865 1.00 4.18 H new ATOM 1289 N GLN A 82 11.588 10.769 0.239 1.00 0.96 N ATOM 1290 CA GLN A 82 10.217 11.259 -0.073 1.00 1.04 C ATOM 1291 C GLN A 82 9.246 10.075 -0.127 1.00 0.93 C ATOM 1292 O GLN A 82 8.069 10.212 0.144 1.00 0.91 O ATOM 1293 CB GLN A 82 10.232 11.978 -1.423 1.00 1.13 C ATOM 1294 CG GLN A 82 11.412 12.951 -1.469 1.00 2.01 C ATOM 1295 CD GLN A 82 11.007 14.216 -2.227 1.00 2.32 C ATOM 1296 OE1 GLN A 82 10.921 15.282 -1.651 1.00 3.12 O ATOM 1297 NE2 GLN A 82 10.754 14.144 -3.506 1.00 2.17 N ATOM 0 H GLN A 82 12.211 10.682 -0.564 1.00 0.96 H new ATOM 0 HA GLN A 82 9.892 11.951 0.703 1.00 1.04 H new ATOM 0 HB2 GLN A 82 10.313 11.253 -2.233 1.00 1.13 H new ATOM 0 HB3 GLN A 82 9.296 12.517 -1.571 1.00 1.13 H new ATOM 0 HG2 GLN A 82 11.725 13.206 -0.457 1.00 2.01 H new ATOM 0 HG3 GLN A 82 12.265 12.480 -1.957 1.00 2.01 H new ATOM 0 HE21 GLN A 82 10.826 13.249 -3.991 1.00 2.17 H new ATOM 0 HE22 GLN A 82 10.484 14.982 -4.021 1.00 2.17 H new ATOM 1306 N LEU A 83 9.729 8.913 -0.476 1.00 0.89 N ATOM 1307 CA LEU A 83 8.835 7.722 -0.547 1.00 0.82 C ATOM 1308 C LEU A 83 8.410 7.312 0.865 1.00 0.78 C ATOM 1309 O LEU A 83 7.347 6.763 1.064 1.00 0.70 O ATOM 1310 CB LEU A 83 9.578 6.557 -1.206 1.00 0.72 C ATOM 1311 CG LEU A 83 8.612 5.388 -1.413 1.00 0.67 C ATOM 1312 CD1 LEU A 83 8.262 5.272 -2.897 1.00 0.99 C ATOM 1313 CD2 LEU A 83 9.271 4.089 -0.944 1.00 0.33 C ATOM 0 H LEU A 83 10.705 8.737 -0.715 1.00 0.89 H new ATOM 0 HA LEU A 83 7.953 7.973 -1.136 1.00 0.82 H new ATOM 0 HB2 LEU A 83 9.995 6.872 -2.163 1.00 0.72 H new ATOM 0 HB3 LEU A 83 10.415 6.245 -0.581 1.00 0.72 H new ATOM 0 HG LEU A 83 7.704 5.564 -0.836 1.00 0.67 H new ATOM 0 HD11 LEU A 83 7.574 4.439 -3.045 1.00 0.99 H new ATOM 0 HD12 LEU A 83 7.791 6.196 -3.233 1.00 0.99 H new ATOM 0 HD13 LEU A 83 9.171 5.098 -3.473 1.00 0.99 H new ATOM 0 HD21 LEU A 83 8.582 3.257 -1.092 1.00 0.33 H new ATOM 0 HD22 LEU A 83 10.180 3.914 -1.519 1.00 0.33 H new ATOM 0 HD23 LEU A 83 9.521 4.169 0.114 1.00 0.33 H new ATOM 1325 N ILE A 84 9.233 7.567 1.845 1.00 0.86 N ATOM 1326 CA ILE A 84 8.870 7.183 3.240 1.00 0.83 C ATOM 1327 C ILE A 84 7.722 8.064 3.738 1.00 0.82 C ATOM 1328 O ILE A 84 6.885 7.633 4.504 1.00 0.86 O ATOM 1329 CB ILE A 84 10.079 7.376 4.156 1.00 0.88 C ATOM 1330 CG1 ILE A 84 11.329 6.794 3.494 1.00 0.87 C ATOM 1331 CG2 ILE A 84 9.828 6.664 5.487 1.00 0.76 C ATOM 1332 CD1 ILE A 84 10.984 5.464 2.821 1.00 0.67 C ATOM 0 H ILE A 84 10.139 8.024 1.741 1.00 0.86 H new ATOM 0 HA ILE A 84 8.561 6.138 3.252 1.00 0.83 H new ATOM 0 HB ILE A 84 10.230 8.441 4.334 1.00 0.88 H new ATOM 0 HG12 ILE A 84 11.722 7.495 2.757 1.00 0.87 H new ATOM 0 HG13 ILE A 84 12.110 6.644 4.239 1.00 0.87 H new ATOM 0 HG21 ILE A 84 10.689 6.801 6.141 1.00 0.76 H new ATOM 0 HG22 ILE A 84 8.941 7.083 5.962 1.00 0.76 H new ATOM 0 HG23 ILE A 84 9.674 5.600 5.307 1.00 0.76 H new ATOM 0 HD11 ILE A 84 11.877 5.052 2.350 1.00 0.67 H new ATOM 0 HD12 ILE A 84 10.612 4.764 3.569 1.00 0.67 H new ATOM 0 HD13 ILE A 84 10.217 5.628 2.064 1.00 0.67 H new ATOM 1344 N ARG A 85 7.682 9.298 3.320 1.00 0.77 N ATOM 1345 CA ARG A 85 6.590 10.207 3.780 1.00 0.77 C ATOM 1346 C ARG A 85 5.289 9.864 3.051 1.00 0.65 C ATOM 1347 O ARG A 85 4.228 9.819 3.642 1.00 0.58 O ATOM 1348 CB ARG A 85 6.975 11.657 3.480 1.00 0.94 C ATOM 1349 CG ARG A 85 7.701 12.254 4.687 1.00 1.30 C ATOM 1350 CD ARG A 85 8.458 13.511 4.254 1.00 1.18 C ATOM 1351 NE ARG A 85 8.497 14.483 5.385 1.00 1.79 N ATOM 1352 CZ ARG A 85 9.323 15.504 5.369 1.00 1.97 C ATOM 1353 NH1 ARG A 85 10.138 15.705 4.362 1.00 1.71 N ATOM 1354 NH2 ARG A 85 9.332 16.333 6.376 1.00 2.51 N ATOM 0 H ARG A 85 8.356 9.718 2.680 1.00 0.77 H new ATOM 0 HA ARG A 85 6.445 10.081 4.853 1.00 0.77 H new ATOM 0 HB2 ARG A 85 7.616 11.699 2.600 1.00 0.94 H new ATOM 0 HB3 ARG A 85 6.083 12.241 3.253 1.00 0.94 H new ATOM 0 HG2 ARG A 85 6.985 12.499 5.471 1.00 1.30 H new ATOM 0 HG3 ARG A 85 8.394 11.525 5.106 1.00 1.30 H new ATOM 0 HD2 ARG A 85 9.472 13.251 3.949 1.00 1.18 H new ATOM 0 HD3 ARG A 85 7.971 13.962 3.390 1.00 1.18 H new ATOM 0 HE ARG A 85 7.874 14.353 6.182 1.00 1.79 H new ATOM 0 HH11 ARG A 85 10.139 15.062 3.570 1.00 1.71 H new ATOM 0 HH12 ARG A 85 10.771 16.505 4.370 1.00 1.71 H new ATOM 0 HH21 ARG A 85 8.702 16.185 7.164 1.00 2.51 H new ATOM 0 HH22 ARG A 85 9.969 17.130 6.375 1.00 2.51 H new ATOM 1368 N PHE A 86 5.363 9.624 1.773 1.00 0.67 N ATOM 1369 CA PHE A 86 4.135 9.284 0.998 1.00 0.63 C ATOM 1370 C PHE A 86 3.483 8.030 1.588 1.00 0.56 C ATOM 1371 O PHE A 86 2.293 7.988 1.833 1.00 0.67 O ATOM 1372 CB PHE A 86 4.523 9.015 -0.456 1.00 0.71 C ATOM 1373 CG PHE A 86 3.582 9.747 -1.381 1.00 0.48 C ATOM 1374 CD1 PHE A 86 2.323 9.208 -1.669 1.00 0.32 C ATOM 1375 CD2 PHE A 86 3.970 10.964 -1.956 1.00 0.65 C ATOM 1376 CE1 PHE A 86 1.452 9.884 -2.531 1.00 0.38 C ATOM 1377 CE2 PHE A 86 3.100 11.640 -2.818 1.00 0.52 C ATOM 1378 CZ PHE A 86 1.841 11.100 -3.106 1.00 0.34 C ATOM 0 H PHE A 86 6.225 9.648 1.228 1.00 0.67 H new ATOM 0 HA PHE A 86 3.430 10.114 1.048 1.00 0.63 H new ATOM 0 HB2 PHE A 86 5.548 9.340 -0.634 1.00 0.71 H new ATOM 0 HB3 PHE A 86 4.488 7.945 -0.659 1.00 0.71 H new ATOM 0 HD1 PHE A 86 2.023 8.270 -1.226 1.00 0.32 H new ATOM 0 HD2 PHE A 86 4.941 11.381 -1.734 1.00 0.65 H new ATOM 0 HE1 PHE A 86 0.480 9.468 -2.753 1.00 0.38 H new ATOM 0 HE2 PHE A 86 3.400 12.578 -3.261 1.00 0.52 H new ATOM 0 HZ PHE A 86 1.169 11.621 -3.772 1.00 0.34 H new ATOM 1388 N LEU A 87 4.257 7.005 1.804 1.00 0.41 N ATOM 1389 CA LEU A 87 3.700 5.742 2.362 1.00 0.43 C ATOM 1390 C LEU A 87 3.169 5.979 3.779 1.00 0.34 C ATOM 1391 O LEU A 87 2.123 5.483 4.148 1.00 0.46 O ATOM 1392 CB LEU A 87 4.805 4.689 2.399 1.00 0.43 C ATOM 1393 CG LEU A 87 4.315 3.455 3.151 1.00 1.06 C ATOM 1394 CD1 LEU A 87 2.998 2.979 2.541 1.00 2.25 C ATOM 1395 CD2 LEU A 87 5.361 2.348 3.033 1.00 0.90 C ATOM 0 H LEU A 87 5.259 6.988 1.617 1.00 0.41 H new ATOM 0 HA LEU A 87 2.878 5.399 1.733 1.00 0.43 H new ATOM 0 HB2 LEU A 87 5.095 4.417 1.384 1.00 0.43 H new ATOM 0 HB3 LEU A 87 5.692 5.095 2.886 1.00 0.43 H new ATOM 0 HG LEU A 87 4.159 3.702 4.201 1.00 1.06 H new ATOM 0 HD11 LEU A 87 2.646 2.097 3.077 1.00 2.25 H new ATOM 0 HD12 LEU A 87 2.254 3.772 2.618 1.00 2.25 H new ATOM 0 HD13 LEU A 87 3.153 2.728 1.492 1.00 2.25 H new ATOM 0 HD21 LEU A 87 5.017 1.463 3.569 1.00 0.90 H new ATOM 0 HD22 LEU A 87 5.512 2.100 1.982 1.00 0.90 H new ATOM 0 HD23 LEU A 87 6.302 2.689 3.464 1.00 0.90 H new ATOM 1407 N LYS A 88 3.881 6.725 4.579 1.00 0.19 N ATOM 1408 CA LYS A 88 3.412 6.980 5.970 1.00 0.19 C ATOM 1409 C LYS A 88 1.998 7.562 5.934 1.00 0.25 C ATOM 1410 O LYS A 88 1.153 7.208 6.731 1.00 0.23 O ATOM 1411 CB LYS A 88 4.363 7.961 6.661 1.00 0.28 C ATOM 1412 CG LYS A 88 5.605 7.203 7.134 1.00 0.47 C ATOM 1413 CD LYS A 88 6.656 8.194 7.637 1.00 0.62 C ATOM 1414 CE LYS A 88 6.021 9.143 8.654 1.00 0.82 C ATOM 1415 NZ LYS A 88 7.093 9.855 9.404 1.00 0.59 N ATOM 0 H LYS A 88 4.765 7.168 4.330 1.00 0.19 H new ATOM 0 HA LYS A 88 3.399 6.043 6.527 1.00 0.19 H new ATOM 0 HB2 LYS A 88 4.647 8.757 5.973 1.00 0.28 H new ATOM 0 HB3 LYS A 88 3.866 8.434 7.508 1.00 0.28 H new ATOM 0 HG2 LYS A 88 5.337 6.508 7.930 1.00 0.47 H new ATOM 0 HG3 LYS A 88 6.013 6.609 6.316 1.00 0.47 H new ATOM 0 HD2 LYS A 88 7.487 7.657 8.095 1.00 0.62 H new ATOM 0 HD3 LYS A 88 7.065 8.761 6.801 1.00 0.62 H new ATOM 0 HE2 LYS A 88 5.379 9.862 8.145 1.00 0.82 H new ATOM 0 HE3 LYS A 88 5.389 8.584 9.344 1.00 0.82 H new ATOM 0 HZ1 LYS A 88 6.662 10.501 10.096 1.00 0.59 H new ATOM 0 HZ2 LYS A 88 7.688 9.162 9.901 1.00 0.59 H new ATOM 0 HZ3 LYS A 88 7.678 10.400 8.739 1.00 0.59 H new ATOM 1429 N ARG A 89 1.726 8.445 5.011 1.00 0.35 N ATOM 1430 CA ARG A 89 0.359 9.028 4.929 1.00 0.42 C ATOM 1431 C ARG A 89 -0.615 7.934 4.482 1.00 0.32 C ATOM 1432 O ARG A 89 -1.761 7.900 4.887 1.00 0.32 O ATOM 1433 CB ARG A 89 0.356 10.190 3.926 1.00 0.63 C ATOM 1434 CG ARG A 89 -0.414 9.801 2.662 1.00 0.97 C ATOM 1435 CD ARG A 89 -0.277 10.916 1.624 1.00 1.36 C ATOM 1436 NE ARG A 89 -0.787 12.196 2.197 1.00 0.32 N ATOM 1437 CZ ARG A 89 -0.518 13.347 1.622 1.00 0.70 C ATOM 1438 NH1 ARG A 89 0.202 13.409 0.527 1.00 1.56 N ATOM 1439 NH2 ARG A 89 -0.976 14.450 2.150 1.00 1.93 N ATOM 0 H ARG A 89 2.389 8.785 4.314 1.00 0.35 H new ATOM 0 HA ARG A 89 0.052 9.410 5.903 1.00 0.42 H new ATOM 0 HB2 ARG A 89 -0.099 11.070 4.380 1.00 0.63 H new ATOM 0 HB3 ARG A 89 1.380 10.458 3.667 1.00 0.63 H new ATOM 0 HG2 ARG A 89 -0.027 8.865 2.260 1.00 0.97 H new ATOM 0 HG3 ARG A 89 -1.465 9.636 2.899 1.00 0.97 H new ATOM 0 HD2 ARG A 89 0.767 11.027 1.330 1.00 1.36 H new ATOM 0 HD3 ARG A 89 -0.836 10.660 0.724 1.00 1.36 H new ATOM 0 HE ARG A 89 -1.352 12.178 3.046 1.00 0.32 H new ATOM 0 HH11 ARG A 89 0.565 12.554 0.106 1.00 1.56 H new ATOM 0 HH12 ARG A 89 0.399 14.313 0.097 1.00 1.56 H new ATOM 0 HH21 ARG A 89 -1.537 14.413 3.001 1.00 1.93 H new ATOM 0 HH22 ARG A 89 -0.773 15.348 1.711 1.00 1.93 H new ATOM 1453 N LEU A 90 -0.156 7.031 3.658 1.00 0.36 N ATOM 1454 CA LEU A 90 -1.034 5.920 3.185 1.00 0.28 C ATOM 1455 C LEU A 90 -1.208 4.877 4.300 1.00 0.23 C ATOM 1456 O LEU A 90 -2.053 4.010 4.215 1.00 0.16 O ATOM 1457 CB LEU A 90 -0.391 5.252 1.966 1.00 0.37 C ATOM 1458 CG LEU A 90 -1.397 4.314 1.297 1.00 0.36 C ATOM 1459 CD1 LEU A 90 -1.947 4.974 0.033 1.00 0.36 C ATOM 1460 CD2 LEU A 90 -0.701 3.004 0.919 1.00 1.02 C ATOM 0 H LEU A 90 0.795 7.014 3.290 1.00 0.36 H new ATOM 0 HA LEU A 90 -2.010 6.324 2.916 1.00 0.28 H new ATOM 0 HB2 LEU A 90 -0.060 6.011 1.257 1.00 0.37 H new ATOM 0 HB3 LEU A 90 0.494 4.693 2.271 1.00 0.37 H new ATOM 0 HG LEU A 90 -2.214 4.108 1.988 1.00 0.36 H new ATOM 0 HD11 LEU A 90 -2.664 4.306 -0.444 1.00 0.36 H new ATOM 0 HD12 LEU A 90 -2.442 5.909 0.296 1.00 0.36 H new ATOM 0 HD13 LEU A 90 -1.128 5.179 -0.656 1.00 0.36 H new ATOM 0 HD21 LEU A 90 -1.418 2.336 0.442 1.00 1.02 H new ATOM 0 HD22 LEU A 90 0.116 3.212 0.228 1.00 1.02 H new ATOM 0 HD23 LEU A 90 -0.305 2.530 1.817 1.00 1.02 H new ATOM 1472 N ASP A 91 -0.416 4.941 5.341 1.00 0.32 N ATOM 1473 CA ASP A 91 -0.550 3.943 6.440 1.00 0.36 C ATOM 1474 C ASP A 91 -1.731 4.320 7.336 1.00 0.43 C ATOM 1475 O ASP A 91 -2.411 3.470 7.870 1.00 0.60 O ATOM 1476 CB ASP A 91 0.735 3.920 7.270 1.00 0.31 C ATOM 1477 CG ASP A 91 1.312 2.503 7.276 1.00 0.74 C ATOM 1478 OD1 ASP A 91 0.704 1.639 7.886 1.00 1.17 O ATOM 1479 OD2 ASP A 91 2.352 2.305 6.669 1.00 2.11 O ATOM 0 H ASP A 91 0.315 5.640 5.475 1.00 0.32 H new ATOM 0 HA ASP A 91 -0.723 2.956 6.012 1.00 0.36 H new ATOM 0 HB2 ASP A 91 1.462 4.618 6.855 1.00 0.31 H new ATOM 0 HB3 ASP A 91 0.528 4.244 8.290 1.00 0.31 H new ATOM 1484 N ARG A 92 -1.978 5.589 7.508 1.00 0.42 N ATOM 1485 CA ARG A 92 -3.117 6.011 8.371 1.00 0.54 C ATOM 1486 C ARG A 92 -4.386 6.150 7.522 1.00 0.41 C ATOM 1487 O ARG A 92 -5.488 6.033 8.018 1.00 0.43 O ATOM 1488 CB ARG A 92 -2.787 7.353 9.032 1.00 0.70 C ATOM 1489 CG ARG A 92 -3.379 7.393 10.445 1.00 1.09 C ATOM 1490 CD ARG A 92 -2.686 6.348 11.326 1.00 0.30 C ATOM 1491 NE ARG A 92 -2.924 6.668 12.766 1.00 0.67 N ATOM 1492 CZ ARG A 92 -2.696 5.775 13.702 1.00 1.13 C ATOM 1493 NH1 ARG A 92 -2.256 4.574 13.407 1.00 1.97 N ATOM 1494 NH2 ARG A 92 -2.909 6.086 14.952 1.00 1.62 N ATOM 0 H ARG A 92 -1.443 6.350 7.090 1.00 0.42 H new ATOM 0 HA ARG A 92 -3.284 5.259 9.142 1.00 0.54 H new ATOM 0 HB2 ARG A 92 -1.707 7.492 9.076 1.00 0.70 H new ATOM 0 HB3 ARG A 92 -3.189 8.172 8.435 1.00 0.70 H new ATOM 0 HG2 ARG A 92 -3.252 8.387 10.875 1.00 1.09 H new ATOM 0 HG3 ARG A 92 -4.451 7.197 10.406 1.00 1.09 H new ATOM 0 HD2 ARG A 92 -3.068 5.353 11.096 1.00 0.30 H new ATOM 0 HD3 ARG A 92 -1.616 6.334 11.118 1.00 0.30 H new ATOM 0 HE ARG A 92 -3.268 7.592 13.026 1.00 0.67 H new ATOM 0 HH11 ARG A 92 -2.084 4.318 12.435 1.00 1.97 H new ATOM 0 HH12 ARG A 92 -2.086 3.896 14.150 1.00 1.97 H new ATOM 0 HH21 ARG A 92 -3.250 7.016 15.195 1.00 1.62 H new ATOM 0 HH22 ARG A 92 -2.735 5.399 15.685 1.00 1.62 H new ATOM 1508 N ASN A 93 -4.242 6.395 6.246 1.00 0.30 N ATOM 1509 CA ASN A 93 -5.445 6.536 5.377 1.00 0.24 C ATOM 1510 C ASN A 93 -5.956 5.148 4.981 1.00 0.14 C ATOM 1511 O ASN A 93 -7.103 4.813 5.206 1.00 0.49 O ATOM 1512 CB ASN A 93 -5.075 7.317 4.116 1.00 0.34 C ATOM 1513 CG ASN A 93 -5.128 8.816 4.413 1.00 0.32 C ATOM 1514 OD1 ASN A 93 -5.251 9.217 5.553 1.00 0.75 O ATOM 1515 ND2 ASN A 93 -5.043 9.666 3.427 1.00 1.38 N ATOM 0 H ASN A 93 -3.346 6.503 5.770 1.00 0.30 H new ATOM 0 HA ASN A 93 -6.224 7.070 5.922 1.00 0.24 H new ATOM 0 HB2 ASN A 93 -4.076 7.037 3.781 1.00 0.34 H new ATOM 0 HB3 ASN A 93 -5.763 7.071 3.307 1.00 0.34 H new ATOM 0 HD21 ASN A 93 -5.080 10.668 3.613 1.00 1.38 H new ATOM 0 HD22 ASN A 93 -4.940 9.328 2.470 1.00 1.38 H new ATOM 1522 N LEU A 94 -5.113 4.340 4.398 1.00 0.21 N ATOM 1523 CA LEU A 94 -5.543 2.971 3.988 1.00 0.07 C ATOM 1524 C LEU A 94 -6.145 2.254 5.195 1.00 0.26 C ATOM 1525 O LEU A 94 -7.301 1.879 5.200 1.00 0.37 O ATOM 1526 CB LEU A 94 -4.327 2.186 3.484 1.00 0.15 C ATOM 1527 CG LEU A 94 -4.775 1.145 2.457 1.00 0.20 C ATOM 1528 CD1 LEU A 94 -4.797 1.772 1.063 1.00 0.45 C ATOM 1529 CD2 LEU A 94 -3.796 -0.032 2.471 1.00 0.56 C ATOM 0 H LEU A 94 -4.142 4.569 4.187 1.00 0.21 H new ATOM 0 HA LEU A 94 -6.285 3.040 3.193 1.00 0.07 H new ATOM 0 HB2 LEU A 94 -3.604 2.866 3.035 1.00 0.15 H new ATOM 0 HB3 LEU A 94 -3.827 1.695 4.319 1.00 0.15 H new ATOM 0 HG LEU A 94 -5.776 0.794 2.709 1.00 0.20 H new ATOM 0 HD11 LEU A 94 -5.117 1.027 0.334 1.00 0.45 H new ATOM 0 HD12 LEU A 94 -5.492 2.612 1.053 1.00 0.45 H new ATOM 0 HD13 LEU A 94 -3.798 2.125 0.807 1.00 0.45 H new ATOM 0 HD21 LEU A 94 -4.112 -0.777 1.740 1.00 0.56 H new ATOM 0 HD22 LEU A 94 -2.797 0.323 2.219 1.00 0.56 H new ATOM 0 HD23 LEU A 94 -3.782 -0.482 3.464 1.00 0.56 H new ATOM 1541 N TRP A 95 -5.368 2.073 6.226 1.00 0.43 N ATOM 1542 CA TRP A 95 -5.881 1.395 7.446 1.00 0.66 C ATOM 1543 C TRP A 95 -6.959 2.293 8.056 1.00 0.39 C ATOM 1544 O TRP A 95 -7.886 1.796 8.649 1.00 0.36 O ATOM 1545 CB TRP A 95 -4.654 1.105 8.363 1.00 1.09 C ATOM 1546 CG TRP A 95 -4.853 1.122 9.880 1.00 0.81 C ATOM 1547 CD1 TRP A 95 -5.977 1.357 10.618 1.00 1.33 C ATOM 1548 CD2 TRP A 95 -3.812 0.852 10.861 1.00 1.64 C ATOM 1549 NE1 TRP A 95 -5.659 1.316 11.961 1.00 1.21 N ATOM 1550 CE2 TRP A 95 -4.343 0.995 12.163 1.00 1.04 C ATOM 1551 CE3 TRP A 95 -2.461 0.512 10.732 1.00 3.18 C ATOM 1552 CZ2 TRP A 95 -3.561 0.814 13.296 1.00 1.69 C ATOM 1553 CZ3 TRP A 95 -1.664 0.319 11.874 1.00 3.97 C ATOM 1554 CH2 TRP A 95 -2.219 0.474 13.155 1.00 3.18 C ATOM 0 H TRP A 95 -4.393 2.368 6.275 1.00 0.43 H new ATOM 0 HA TRP A 95 -6.360 0.434 7.259 1.00 0.66 H new ATOM 0 HB2 TRP A 95 -4.262 0.125 8.092 1.00 1.09 H new ATOM 0 HB3 TRP A 95 -3.881 1.835 8.122 1.00 1.09 H new ATOM 0 HD1 TRP A 95 -6.961 1.545 10.215 1.00 1.33 H new ATOM 0 HE1 TRP A 95 -6.324 1.502 12.712 1.00 1.21 H new ATOM 0 HE3 TRP A 95 -2.028 0.397 9.749 1.00 3.18 H new ATOM 0 HZ2 TRP A 95 -3.991 0.936 14.279 1.00 1.69 H new ATOM 0 HZ3 TRP A 95 -0.623 0.051 11.766 1.00 3.97 H new ATOM 0 HH2 TRP A 95 -1.604 0.329 14.031 1.00 3.18 H new ATOM 1565 N GLY A 96 -6.865 3.595 7.886 1.00 0.38 N ATOM 1566 CA GLY A 96 -7.914 4.517 8.445 1.00 0.62 C ATOM 1567 C GLY A 96 -9.294 3.862 8.314 1.00 0.46 C ATOM 1568 O GLY A 96 -10.114 3.919 9.208 1.00 0.46 O ATOM 0 H GLY A 96 -6.108 4.059 7.385 1.00 0.38 H new ATOM 0 HA2 GLY A 96 -7.701 4.735 9.492 1.00 0.62 H new ATOM 0 HA3 GLY A 96 -7.899 5.468 7.912 1.00 0.62 H new ATOM 1572 N LEU A 97 -9.530 3.207 7.210 1.00 0.70 N ATOM 1573 CA LEU A 97 -10.827 2.501 7.008 1.00 1.20 C ATOM 1574 C LEU A 97 -10.692 1.035 7.458 1.00 1.47 C ATOM 1575 O LEU A 97 -11.627 0.434 7.950 1.00 1.91 O ATOM 1576 CB LEU A 97 -11.202 2.548 5.526 1.00 1.33 C ATOM 1577 CG LEU A 97 -11.763 3.929 5.184 1.00 0.54 C ATOM 1578 CD1 LEU A 97 -10.611 4.894 4.905 1.00 1.39 C ATOM 1579 CD2 LEU A 97 -12.652 3.826 3.943 1.00 0.63 C ATOM 0 H LEU A 97 -8.874 3.130 6.433 1.00 0.70 H new ATOM 0 HA LEU A 97 -11.603 2.989 7.597 1.00 1.20 H new ATOM 0 HB2 LEU A 97 -10.326 2.337 4.912 1.00 1.33 H new ATOM 0 HB3 LEU A 97 -11.941 1.778 5.303 1.00 1.33 H new ATOM 0 HG LEU A 97 -12.351 4.299 6.024 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -11.012 5.878 4.661 1.00 1.39 H new ATOM 0 HD12 LEU A 97 -9.977 4.969 5.788 1.00 1.39 H new ATOM 0 HD13 LEU A 97 -10.022 4.524 4.066 1.00 1.39 H new ATOM 0 HD21 LEU A 97 -13.052 4.810 3.699 1.00 0.63 H new ATOM 0 HD22 LEU A 97 -12.064 3.455 3.104 1.00 0.63 H new ATOM 0 HD23 LEU A 97 -13.475 3.139 4.141 1.00 0.63 H new ATOM 1591 N ALA A 98 -9.533 0.455 7.264 1.00 1.38 N ATOM 1592 CA ALA A 98 -9.309 -0.974 7.638 1.00 1.88 C ATOM 1593 C ALA A 98 -9.288 -1.174 9.161 1.00 2.41 C ATOM 1594 O ALA A 98 -10.188 -1.757 9.732 1.00 2.66 O ATOM 1595 CB ALA A 98 -7.964 -1.431 7.061 1.00 1.92 C ATOM 0 H ALA A 98 -8.722 0.919 6.856 1.00 1.38 H new ATOM 0 HA ALA A 98 -10.133 -1.561 7.232 1.00 1.88 H new ATOM 0 HB1 ALA A 98 -7.789 -2.473 7.328 1.00 1.92 H new ATOM 0 HB2 ALA A 98 -7.981 -1.332 5.976 1.00 1.92 H new ATOM 0 HB3 ALA A 98 -7.164 -0.813 7.469 1.00 1.92 H new ATOM 1601 N GLY A 99 -8.250 -0.731 9.815 1.00 2.67 N ATOM 1602 CA GLY A 99 -8.146 -0.936 11.294 1.00 3.22 C ATOM 1603 C GLY A 99 -7.197 -2.112 11.550 1.00 3.80 C ATOM 1604 O GLY A 99 -7.601 -3.255 11.633 1.00 4.34 O ATOM 0 H GLY A 99 -7.466 -0.235 9.391 1.00 2.67 H new ATOM 0 HA2 GLY A 99 -7.772 -0.034 11.777 1.00 3.22 H new ATOM 0 HA3 GLY A 99 -9.128 -1.141 11.719 1.00 3.22 H new ATOM 1608 N LEU A 100 -5.931 -1.822 11.629 1.00 3.85 N ATOM 1609 CA LEU A 100 -4.894 -2.868 11.830 1.00 4.54 C ATOM 1610 C LEU A 100 -4.706 -3.214 13.307 1.00 3.63 C ATOM 1611 O LEU A 100 -3.597 -3.289 13.792 1.00 4.12 O ATOM 1612 CB LEU A 100 -3.576 -2.336 11.275 1.00 5.60 C ATOM 1613 CG LEU A 100 -2.557 -3.466 11.117 1.00 7.34 C ATOM 1614 CD1 LEU A 100 -3.126 -4.561 10.218 1.00 7.37 C ATOM 1615 CD2 LEU A 100 -1.290 -2.898 10.481 1.00 8.76 C ATOM 0 H LEU A 100 -5.561 -0.874 11.560 1.00 3.85 H new ATOM 0 HA LEU A 100 -5.212 -3.775 11.317 1.00 4.54 H new ATOM 0 HB2 LEU A 100 -3.749 -1.859 10.310 1.00 5.60 H new ATOM 0 HB3 LEU A 100 -3.178 -1.572 11.942 1.00 5.60 H new ATOM 0 HG LEU A 100 -2.330 -3.892 12.094 1.00 7.34 H new ATOM 0 HD11 LEU A 100 -2.394 -5.361 10.111 1.00 7.37 H new ATOM 0 HD12 LEU A 100 -4.037 -4.960 10.663 1.00 7.37 H new ATOM 0 HD13 LEU A 100 -3.354 -4.144 9.237 1.00 7.37 H new ATOM 0 HD21 LEU A 100 -0.554 -3.693 10.362 1.00 8.76 H new ATOM 0 HD22 LEU A 100 -1.530 -2.477 9.505 1.00 8.76 H new ATOM 0 HD23 LEU A 100 -0.880 -2.117 11.122 1.00 8.76 H new ATOM 1627 N ASN A 101 -5.756 -3.474 14.023 1.00 2.47 N ATOM 1628 CA ASN A 101 -5.567 -3.871 15.439 1.00 1.72 C ATOM 1629 C ASN A 101 -5.283 -5.378 15.428 1.00 1.71 C ATOM 1630 O ASN A 101 -4.148 -5.799 15.326 1.00 2.51 O ATOM 1631 CB ASN A 101 -6.829 -3.553 16.251 1.00 0.75 C ATOM 1632 CG ASN A 101 -6.585 -2.308 17.106 1.00 1.45 C ATOM 1633 OD1 ASN A 101 -6.616 -2.373 18.318 1.00 2.17 O ATOM 1634 ND2 ASN A 101 -6.341 -1.168 16.519 1.00 2.52 N ATOM 0 H ASN A 101 -6.722 -3.430 13.698 1.00 2.47 H new ATOM 0 HA ASN A 101 -4.745 -3.326 15.904 1.00 1.72 H new ATOM 0 HB2 ASN A 101 -7.673 -3.388 15.581 1.00 0.75 H new ATOM 0 HB3 ASN A 101 -7.088 -4.399 16.887 1.00 0.75 H new ATOM 0 HD21 ASN A 101 -6.176 -0.331 17.079 1.00 2.52 H new ATOM 0 HD22 ASN A 101 -6.315 -1.114 15.501 1.00 2.52 H new ATOM 1641 N SER A 102 -6.301 -6.195 15.471 1.00 1.29 N ATOM 1642 CA SER A 102 -6.077 -7.665 15.397 1.00 1.93 C ATOM 1643 C SER A 102 -6.184 -8.086 13.924 1.00 1.59 C ATOM 1644 O SER A 102 -7.267 -8.296 13.416 1.00 1.63 O ATOM 1645 CB SER A 102 -7.141 -8.389 16.222 1.00 2.40 C ATOM 1646 OG SER A 102 -6.566 -8.832 17.444 1.00 2.73 O ATOM 0 H SER A 102 -7.276 -5.907 15.554 1.00 1.29 H new ATOM 0 HA SER A 102 -5.095 -7.922 15.793 1.00 1.93 H new ATOM 0 HB2 SER A 102 -7.979 -7.722 16.422 1.00 2.40 H new ATOM 0 HB3 SER A 102 -7.536 -9.238 15.664 1.00 2.40 H new ATOM 0 HG SER A 102 -7.246 -9.295 17.976 1.00 2.73 H new ATOM 1652 N CYS A 103 -5.083 -8.200 13.225 1.00 1.27 N ATOM 1653 CA CYS A 103 -5.157 -8.591 11.788 1.00 0.93 C ATOM 1654 C CYS A 103 -4.082 -9.640 11.494 1.00 0.98 C ATOM 1655 O CYS A 103 -3.139 -9.388 10.770 1.00 0.95 O ATOM 1656 CB CYS A 103 -4.934 -7.347 10.916 1.00 0.70 C ATOM 1657 SG CYS A 103 -6.293 -7.163 9.732 1.00 1.23 S ATOM 0 H CYS A 103 -4.143 -8.040 13.586 1.00 1.27 H new ATOM 0 HA CYS A 103 -6.137 -9.014 11.566 1.00 0.93 H new ATOM 0 HB2 CYS A 103 -4.867 -6.460 11.545 1.00 0.70 H new ATOM 0 HB3 CYS A 103 -3.987 -7.432 10.384 1.00 0.70 H new ATOM 1662 N PRO A 104 -4.260 -10.795 12.073 1.00 1.08 N ATOM 1663 CA PRO A 104 -3.319 -11.910 11.895 1.00 1.15 C ATOM 1664 C PRO A 104 -3.228 -12.289 10.416 1.00 1.19 C ATOM 1665 O PRO A 104 -3.975 -13.119 9.936 1.00 1.27 O ATOM 1666 CB PRO A 104 -3.916 -13.061 12.715 1.00 1.24 C ATOM 1667 CG PRO A 104 -5.223 -12.545 13.369 1.00 1.23 C ATOM 1668 CD PRO A 104 -5.408 -11.080 12.947 1.00 1.13 C ATOM 0 HA PRO A 104 -2.309 -11.661 12.219 1.00 1.15 H new ATOM 0 HB2 PRO A 104 -4.121 -13.920 12.076 1.00 1.24 H new ATOM 0 HB3 PRO A 104 -3.212 -13.393 13.478 1.00 1.24 H new ATOM 0 HG2 PRO A 104 -6.074 -13.146 13.049 1.00 1.23 H new ATOM 0 HG3 PRO A 104 -5.166 -12.626 14.454 1.00 1.23 H new ATOM 0 HD2 PRO A 104 -6.352 -10.936 12.421 1.00 1.13 H new ATOM 0 HD3 PRO A 104 -5.421 -10.417 13.812 1.00 1.13 H new ATOM 1676 N VAL A 105 -2.318 -11.680 9.695 1.00 1.14 N ATOM 1677 CA VAL A 105 -2.160 -11.994 8.239 1.00 1.19 C ATOM 1678 C VAL A 105 -2.106 -13.515 8.045 1.00 1.85 C ATOM 1679 O VAL A 105 -1.081 -14.137 8.243 1.00 2.29 O ATOM 1680 CB VAL A 105 -0.858 -11.379 7.716 1.00 1.39 C ATOM 1681 CG1 VAL A 105 0.294 -11.786 8.633 1.00 2.30 C ATOM 1682 CG2 VAL A 105 -0.581 -11.895 6.302 1.00 2.30 C ATOM 0 H VAL A 105 -1.674 -10.975 10.054 1.00 1.14 H new ATOM 0 HA VAL A 105 -3.007 -11.581 7.691 1.00 1.19 H new ATOM 0 HB VAL A 105 -0.950 -10.293 7.697 1.00 1.39 H new ATOM 0 HG11 VAL A 105 1.223 -11.351 8.265 1.00 2.30 H new ATOM 0 HG12 VAL A 105 0.100 -11.426 9.643 1.00 2.30 H new ATOM 0 HG13 VAL A 105 0.382 -12.872 8.646 1.00 2.30 H new ATOM 0 HG21 VAL A 105 0.345 -11.457 5.930 1.00 2.30 H new ATOM 0 HG22 VAL A 105 -0.487 -12.981 6.323 1.00 2.30 H new ATOM 0 HG23 VAL A 105 -1.404 -11.615 5.645 1.00 2.30 H new ATOM 1692 N LYS A 106 -3.204 -14.119 7.672 1.00 2.08 N ATOM 1693 CA LYS A 106 -3.213 -15.597 7.479 1.00 2.82 C ATOM 1694 C LYS A 106 -2.611 -15.951 6.115 1.00 2.06 C ATOM 1695 O LYS A 106 -1.447 -16.287 6.012 1.00 1.33 O ATOM 1696 CB LYS A 106 -4.653 -16.114 7.555 1.00 4.08 C ATOM 1697 CG LYS A 106 -4.943 -16.618 8.970 1.00 4.88 C ATOM 1698 CD LYS A 106 -6.237 -17.436 8.968 1.00 6.44 C ATOM 1699 CE LYS A 106 -7.438 -16.494 9.080 1.00 7.57 C ATOM 1700 NZ LYS A 106 -8.666 -17.193 8.606 1.00 9.31 N ATOM 0 H LYS A 106 -4.093 -13.652 7.493 1.00 2.08 H new ATOM 0 HA LYS A 106 -2.616 -16.063 8.263 1.00 2.82 H new ATOM 0 HB2 LYS A 106 -5.350 -15.319 7.291 1.00 4.08 H new ATOM 0 HB3 LYS A 106 -4.800 -16.918 6.834 1.00 4.08 H new ATOM 0 HG2 LYS A 106 -4.114 -17.230 9.326 1.00 4.88 H new ATOM 0 HG3 LYS A 106 -5.034 -15.776 9.656 1.00 4.88 H new ATOM 0 HD2 LYS A 106 -6.307 -18.024 8.053 1.00 6.44 H new ATOM 0 HD3 LYS A 106 -6.235 -18.141 9.800 1.00 6.44 H new ATOM 0 HE2 LYS A 106 -7.566 -16.173 10.114 1.00 7.57 H new ATOM 0 HE3 LYS A 106 -7.266 -15.596 8.486 1.00 7.57 H new ATOM 0 HZ1 LYS A 106 -9.482 -16.552 8.682 1.00 9.31 H new ATOM 0 HZ2 LYS A 106 -8.542 -17.478 7.614 1.00 9.31 H new ATOM 0 HZ3 LYS A 106 -8.833 -18.037 9.191 1.00 9.31 H new ATOM 1714 N GLU A 107 -3.389 -15.887 5.067 1.00 2.42 N ATOM 1715 CA GLU A 107 -2.852 -16.228 3.720 1.00 2.03 C ATOM 1716 C GLU A 107 -1.768 -15.224 3.328 1.00 1.39 C ATOM 1717 O GLU A 107 -2.047 -14.077 3.040 1.00 2.03 O ATOM 1718 CB GLU A 107 -3.986 -16.179 2.694 1.00 2.75 C ATOM 1719 CG GLU A 107 -4.017 -17.488 1.904 1.00 3.28 C ATOM 1720 CD GLU A 107 -4.750 -18.555 2.718 1.00 3.24 C ATOM 1721 OE1 GLU A 107 -5.676 -18.198 3.427 1.00 2.99 O ATOM 1722 OE2 GLU A 107 -4.372 -19.711 2.620 1.00 3.94 O ATOM 0 H GLU A 107 -4.371 -15.614 5.087 1.00 2.42 H new ATOM 0 HA GLU A 107 -2.423 -17.230 3.745 1.00 2.03 H new ATOM 0 HB2 GLU A 107 -4.940 -16.023 3.198 1.00 2.75 H new ATOM 0 HB3 GLU A 107 -3.842 -15.337 2.017 1.00 2.75 H new ATOM 0 HG2 GLU A 107 -4.518 -17.337 0.948 1.00 3.28 H new ATOM 0 HG3 GLU A 107 -3.001 -17.817 1.684 1.00 3.28 H new ATOM 1729 N ALA A 108 -0.532 -15.645 3.310 1.00 0.80 N ATOM 1730 CA ALA A 108 0.564 -14.708 2.932 1.00 1.22 C ATOM 1731 C ALA A 108 1.888 -15.467 2.825 1.00 0.92 C ATOM 1732 O ALA A 108 2.255 -16.230 3.696 1.00 0.57 O ATOM 1733 CB ALA A 108 0.691 -13.616 3.996 1.00 1.98 C ATOM 0 H ALA A 108 -0.235 -16.593 3.540 1.00 0.80 H new ATOM 0 HA ALA A 108 0.330 -14.257 1.968 1.00 1.22 H new ATOM 0 HB1 ALA A 108 1.492 -12.931 3.720 1.00 1.98 H new ATOM 0 HB2 ALA A 108 -0.248 -13.067 4.068 1.00 1.98 H new ATOM 0 HB3 ALA A 108 0.919 -14.072 4.960 1.00 1.98 H new ATOM 1739 N ASP A 109 2.611 -15.247 1.763 1.00 1.43 N ATOM 1740 CA ASP A 109 3.922 -15.931 1.582 1.00 1.18 C ATOM 1741 C ASP A 109 4.889 -14.931 0.953 1.00 0.94 C ATOM 1742 O ASP A 109 4.464 -13.946 0.394 1.00 1.19 O ATOM 1743 CB ASP A 109 3.749 -17.138 0.657 1.00 1.08 C ATOM 1744 CG ASP A 109 4.428 -18.361 1.277 1.00 1.22 C ATOM 1745 OD1 ASP A 109 5.646 -18.424 1.232 1.00 2.49 O ATOM 1746 OD2 ASP A 109 3.718 -19.214 1.784 1.00 1.09 O ATOM 0 H ASP A 109 2.347 -14.617 1.006 1.00 1.43 H new ATOM 0 HA ASP A 109 4.307 -16.280 2.540 1.00 1.18 H new ATOM 0 HB2 ASP A 109 2.689 -17.339 0.499 1.00 1.08 H new ATOM 0 HB3 ASP A 109 4.182 -16.925 -0.320 1.00 1.08 H new ATOM 1751 N GLN A 110 6.175 -15.162 1.046 1.00 1.08 N ATOM 1752 CA GLN A 110 7.150 -14.193 0.453 1.00 0.89 C ATOM 1753 C GLN A 110 6.749 -13.869 -0.991 1.00 0.75 C ATOM 1754 O GLN A 110 6.785 -14.708 -1.870 1.00 0.51 O ATOM 1755 CB GLN A 110 8.564 -14.784 0.478 1.00 0.66 C ATOM 1756 CG GLN A 110 8.618 -16.027 -0.405 1.00 1.79 C ATOM 1757 CD GLN A 110 9.687 -16.986 0.125 1.00 2.65 C ATOM 1758 OE1 GLN A 110 9.402 -17.836 0.945 1.00 2.61 O ATOM 1759 NE2 GLN A 110 10.913 -16.883 -0.311 1.00 3.78 N ATOM 0 H GLN A 110 6.591 -15.973 1.503 1.00 1.08 H new ATOM 0 HA GLN A 110 7.139 -13.277 1.043 1.00 0.89 H new ATOM 0 HB2 GLN A 110 9.284 -14.045 0.126 1.00 0.66 H new ATOM 0 HB3 GLN A 110 8.844 -15.040 1.500 1.00 0.66 H new ATOM 0 HG2 GLN A 110 7.646 -16.520 -0.416 1.00 1.79 H new ATOM 0 HG3 GLN A 110 8.845 -15.746 -1.433 1.00 1.79 H new ATOM 0 HE21 GLN A 110 11.151 -16.169 -0.999 1.00 3.78 H new ATOM 0 HE22 GLN A 110 11.633 -17.516 0.037 1.00 3.78 H new ATOM 1768 N SER A 111 6.347 -12.654 -1.238 1.00 1.22 N ATOM 1769 CA SER A 111 5.932 -12.280 -2.622 1.00 1.08 C ATOM 1770 C SER A 111 6.632 -10.985 -3.027 1.00 1.03 C ATOM 1771 O SER A 111 6.528 -9.989 -2.347 1.00 1.30 O ATOM 1772 CB SER A 111 4.417 -12.078 -2.662 1.00 1.02 C ATOM 1773 OG SER A 111 3.922 -12.474 -3.934 1.00 0.75 O ATOM 0 H SER A 111 6.287 -11.906 -0.547 1.00 1.22 H new ATOM 0 HA SER A 111 6.209 -13.075 -3.315 1.00 1.08 H new ATOM 0 HB2 SER A 111 3.940 -12.663 -1.876 1.00 1.02 H new ATOM 0 HB3 SER A 111 4.173 -11.032 -2.474 1.00 1.02 H new ATOM 0 HG SER A 111 3.945 -11.709 -4.546 1.00 0.75 H new ATOM 1779 N THR A 112 7.345 -11.003 -4.126 1.00 1.05 N ATOM 1780 CA THR A 112 8.072 -9.779 -4.590 1.00 0.94 C ATOM 1781 C THR A 112 7.154 -8.553 -4.515 1.00 0.82 C ATOM 1782 O THR A 112 6.052 -8.555 -5.025 1.00 0.80 O ATOM 1783 CB THR A 112 8.543 -9.992 -6.031 1.00 0.85 C ATOM 1784 OG1 THR A 112 7.430 -10.317 -6.851 1.00 0.72 O ATOM 1785 CG2 THR A 112 9.561 -11.135 -6.065 1.00 1.09 C ATOM 0 H THR A 112 7.456 -11.820 -4.727 1.00 1.05 H new ATOM 0 HA THR A 112 8.933 -9.605 -3.944 1.00 0.94 H new ATOM 0 HB THR A 112 9.008 -9.080 -6.404 1.00 0.85 H new ATOM 0 HG1 THR A 112 6.624 -9.891 -6.492 1.00 0.72 H new ATOM 0 HG21 THR A 112 9.899 -11.290 -7.089 1.00 1.09 H new ATOM 0 HG22 THR A 112 10.414 -10.881 -5.436 1.00 1.09 H new ATOM 0 HG23 THR A 112 9.095 -12.048 -5.694 1.00 1.09 H new ATOM 1793 N LEU A 113 7.606 -7.508 -3.865 1.00 0.79 N ATOM 1794 CA LEU A 113 6.767 -6.280 -3.734 1.00 0.69 C ATOM 1795 C LEU A 113 6.282 -5.817 -5.113 1.00 0.62 C ATOM 1796 O LEU A 113 5.299 -5.121 -5.221 1.00 0.46 O ATOM 1797 CB LEU A 113 7.588 -5.158 -3.089 1.00 0.70 C ATOM 1798 CG LEU A 113 6.737 -3.886 -2.998 1.00 0.75 C ATOM 1799 CD1 LEU A 113 5.489 -4.151 -2.155 1.00 0.80 C ATOM 1800 CD2 LEU A 113 7.552 -2.767 -2.347 1.00 1.15 C ATOM 0 H LEU A 113 8.522 -7.454 -3.419 1.00 0.79 H new ATOM 0 HA LEU A 113 5.905 -6.513 -3.109 1.00 0.69 H new ATOM 0 HB2 LEU A 113 7.917 -5.460 -2.095 1.00 0.70 H new ATOM 0 HB3 LEU A 113 8.486 -4.966 -3.677 1.00 0.70 H new ATOM 0 HG LEU A 113 6.439 -3.588 -4.003 1.00 0.75 H new ATOM 0 HD11 LEU A 113 4.890 -3.242 -2.096 1.00 0.80 H new ATOM 0 HD12 LEU A 113 4.900 -4.944 -2.616 1.00 0.80 H new ATOM 0 HD13 LEU A 113 5.786 -4.456 -1.152 1.00 0.80 H new ATOM 0 HD21 LEU A 113 6.945 -1.864 -2.284 1.00 1.15 H new ATOM 0 HD22 LEU A 113 7.854 -3.072 -1.345 1.00 1.15 H new ATOM 0 HD23 LEU A 113 8.439 -2.566 -2.948 1.00 1.15 H new ATOM 1812 N GLU A 114 6.967 -6.182 -6.165 1.00 0.75 N ATOM 1813 CA GLU A 114 6.534 -5.742 -7.525 1.00 0.69 C ATOM 1814 C GLU A 114 5.087 -6.172 -7.782 1.00 0.68 C ATOM 1815 O GLU A 114 4.201 -5.352 -7.921 1.00 0.74 O ATOM 1816 CB GLU A 114 7.446 -6.379 -8.578 1.00 0.67 C ATOM 1817 CG GLU A 114 6.889 -6.097 -9.975 1.00 1.01 C ATOM 1818 CD GLU A 114 6.065 -7.296 -10.450 1.00 2.43 C ATOM 1819 OE1 GLU A 114 6.600 -8.393 -10.454 1.00 2.66 O ATOM 1820 OE2 GLU A 114 4.915 -7.097 -10.802 1.00 3.78 O ATOM 0 H GLU A 114 7.805 -6.764 -6.142 1.00 0.75 H new ATOM 0 HA GLU A 114 6.599 -4.656 -7.586 1.00 0.69 H new ATOM 0 HB2 GLU A 114 8.456 -5.978 -8.490 1.00 0.67 H new ATOM 0 HB3 GLU A 114 7.514 -7.454 -8.413 1.00 0.67 H new ATOM 0 HG2 GLU A 114 6.269 -5.201 -9.956 1.00 1.01 H new ATOM 0 HG3 GLU A 114 7.705 -5.905 -10.671 1.00 1.01 H new ATOM 1827 N ASN A 115 4.846 -7.448 -7.864 1.00 0.64 N ATOM 1828 CA ASN A 115 3.460 -7.938 -8.131 1.00 0.63 C ATOM 1829 C ASN A 115 2.497 -7.459 -7.037 1.00 0.62 C ATOM 1830 O ASN A 115 1.300 -7.425 -7.234 1.00 0.55 O ATOM 1831 CB ASN A 115 3.464 -9.468 -8.167 1.00 0.66 C ATOM 1832 CG ASN A 115 2.454 -9.959 -9.206 1.00 0.43 C ATOM 1833 OD1 ASN A 115 1.264 -9.956 -8.965 1.00 1.28 O ATOM 1834 ND2 ASN A 115 2.884 -10.387 -10.363 1.00 1.25 N ATOM 0 H ASN A 115 5.549 -8.179 -7.758 1.00 0.64 H new ATOM 0 HA ASN A 115 3.126 -7.541 -9.090 1.00 0.63 H new ATOM 0 HB2 ASN A 115 4.461 -9.834 -8.413 1.00 0.66 H new ATOM 0 HB3 ASN A 115 3.212 -9.866 -7.184 1.00 0.66 H new ATOM 0 HD21 ASN A 115 2.220 -10.718 -11.063 1.00 1.25 H new ATOM 0 HD22 ASN A 115 3.884 -10.390 -10.566 1.00 1.25 H new ATOM 1841 N PHE A 116 2.997 -7.097 -5.886 1.00 0.69 N ATOM 1842 CA PHE A 116 2.087 -6.634 -4.797 1.00 0.67 C ATOM 1843 C PHE A 116 1.542 -5.242 -5.131 1.00 0.63 C ATOM 1844 O PHE A 116 0.389 -4.947 -4.895 1.00 0.74 O ATOM 1845 CB PHE A 116 2.860 -6.578 -3.476 1.00 0.71 C ATOM 1846 CG PHE A 116 1.952 -6.078 -2.378 1.00 0.45 C ATOM 1847 CD1 PHE A 116 1.085 -6.964 -1.727 1.00 0.57 C ATOM 1848 CD2 PHE A 116 1.978 -4.727 -2.010 1.00 0.46 C ATOM 1849 CE1 PHE A 116 0.245 -6.498 -0.707 1.00 0.53 C ATOM 1850 CE2 PHE A 116 1.138 -4.263 -0.992 1.00 0.37 C ATOM 1851 CZ PHE A 116 0.272 -5.148 -0.340 1.00 0.29 C ATOM 0 H PHE A 116 3.990 -7.101 -5.653 1.00 0.69 H new ATOM 0 HA PHE A 116 1.254 -7.331 -4.704 1.00 0.67 H new ATOM 0 HB2 PHE A 116 3.241 -7.568 -3.224 1.00 0.71 H new ATOM 0 HB3 PHE A 116 3.723 -5.920 -3.576 1.00 0.71 H new ATOM 0 HD1 PHE A 116 1.064 -8.006 -2.011 1.00 0.57 H new ATOM 0 HD2 PHE A 116 2.647 -4.043 -2.512 1.00 0.46 H new ATOM 0 HE1 PHE A 116 -0.423 -7.181 -0.204 1.00 0.53 H new ATOM 0 HE2 PHE A 116 1.158 -3.221 -0.709 1.00 0.37 H new ATOM 0 HZ PHE A 116 -0.375 -4.789 0.446 1.00 0.29 H new ATOM 1861 N LEU A 117 2.361 -4.390 -5.684 1.00 0.58 N ATOM 1862 CA LEU A 117 1.891 -3.020 -6.036 1.00 0.56 C ATOM 1863 C LEU A 117 1.003 -3.103 -7.276 1.00 0.47 C ATOM 1864 O LEU A 117 0.091 -2.321 -7.451 1.00 0.46 O ATOM 1865 CB LEU A 117 3.099 -2.127 -6.333 1.00 0.61 C ATOM 1866 CG LEU A 117 3.148 -0.976 -5.325 1.00 0.76 C ATOM 1867 CD1 LEU A 117 1.889 -0.119 -5.467 1.00 1.83 C ATOM 1868 CD2 LEU A 117 3.222 -1.542 -3.905 1.00 0.86 C ATOM 0 H LEU A 117 3.337 -4.584 -5.908 1.00 0.58 H new ATOM 0 HA LEU A 117 1.326 -2.598 -5.205 1.00 0.56 H new ATOM 0 HB2 LEU A 117 4.018 -2.711 -6.278 1.00 0.61 H new ATOM 0 HB3 LEU A 117 3.032 -1.733 -7.347 1.00 0.61 H new ATOM 0 HG LEU A 117 4.029 -0.363 -5.518 1.00 0.76 H new ATOM 0 HD11 LEU A 117 1.924 0.701 -4.749 1.00 1.83 H new ATOM 0 HD12 LEU A 117 1.836 0.286 -6.478 1.00 1.83 H new ATOM 0 HD13 LEU A 117 1.008 -0.732 -5.275 1.00 1.83 H new ATOM 0 HD21 LEU A 117 3.257 -0.722 -3.188 1.00 0.86 H new ATOM 0 HD22 LEU A 117 2.342 -2.156 -3.712 1.00 0.86 H new ATOM 0 HD23 LEU A 117 4.120 -2.152 -3.803 1.00 0.86 H new ATOM 1880 N GLU A 118 1.259 -4.050 -8.134 1.00 0.40 N ATOM 1881 CA GLU A 118 0.426 -4.189 -9.358 1.00 0.32 C ATOM 1882 C GLU A 118 -1.001 -4.549 -8.950 1.00 0.28 C ATOM 1883 O GLU A 118 -1.946 -3.865 -9.287 1.00 0.21 O ATOM 1884 CB GLU A 118 1.004 -5.299 -10.238 1.00 0.32 C ATOM 1885 CG GLU A 118 0.034 -5.607 -11.379 1.00 0.26 C ATOM 1886 CD GLU A 118 -0.365 -4.305 -12.078 1.00 1.66 C ATOM 1887 OE1 GLU A 118 0.526 -3.585 -12.499 1.00 2.13 O ATOM 1888 OE2 GLU A 118 -1.553 -4.052 -12.181 1.00 2.93 O ATOM 0 H GLU A 118 2.010 -4.734 -8.040 1.00 0.40 H new ATOM 0 HA GLU A 118 0.422 -3.252 -9.914 1.00 0.32 H new ATOM 0 HB2 GLU A 118 1.969 -4.992 -10.641 1.00 0.32 H new ATOM 0 HB3 GLU A 118 1.178 -6.196 -9.643 1.00 0.32 H new ATOM 0 HG2 GLU A 118 0.500 -6.287 -12.092 1.00 0.26 H new ATOM 0 HG3 GLU A 118 -0.852 -6.110 -10.991 1.00 0.26 H new ATOM 1895 N ARG A 119 -1.159 -5.617 -8.220 1.00 0.34 N ATOM 1896 CA ARG A 119 -2.519 -6.036 -7.775 1.00 0.34 C ATOM 1897 C ARG A 119 -3.099 -4.997 -6.809 1.00 0.33 C ATOM 1898 O ARG A 119 -4.293 -4.939 -6.606 1.00 0.33 O ATOM 1899 CB ARG A 119 -2.426 -7.390 -7.069 1.00 0.43 C ATOM 1900 CG ARG A 119 -1.790 -8.415 -8.010 1.00 0.65 C ATOM 1901 CD ARG A 119 -2.856 -8.963 -8.962 1.00 0.82 C ATOM 1902 NE ARG A 119 -3.435 -10.215 -8.395 1.00 0.69 N ATOM 1903 CZ ARG A 119 -4.558 -10.714 -8.860 1.00 0.81 C ATOM 1904 NH1 ARG A 119 -5.204 -10.134 -9.843 1.00 0.98 N ATOM 1905 NH2 ARG A 119 -5.039 -11.809 -8.337 1.00 2.03 N ATOM 0 H ARG A 119 -0.399 -6.223 -7.910 1.00 0.34 H new ATOM 0 HA ARG A 119 -3.171 -6.117 -8.645 1.00 0.34 H new ATOM 0 HB2 ARG A 119 -1.832 -7.298 -6.160 1.00 0.43 H new ATOM 0 HB3 ARG A 119 -3.419 -7.724 -6.768 1.00 0.43 H new ATOM 0 HG2 ARG A 119 -0.983 -7.952 -8.578 1.00 0.65 H new ATOM 0 HG3 ARG A 119 -1.348 -9.228 -7.434 1.00 0.65 H new ATOM 0 HD2 ARG A 119 -3.641 -8.222 -9.111 1.00 0.82 H new ATOM 0 HD3 ARG A 119 -2.417 -9.163 -9.940 1.00 0.82 H new ATOM 0 HE ARG A 119 -2.951 -10.692 -7.634 1.00 0.69 H new ATOM 0 HH11 ARG A 119 -4.836 -9.279 -10.261 1.00 0.98 H new ATOM 0 HH12 ARG A 119 -6.074 -10.538 -10.190 1.00 0.98 H new ATOM 0 HH21 ARG A 119 -4.544 -12.270 -7.574 1.00 2.03 H new ATOM 0 HH22 ARG A 119 -5.910 -12.204 -8.692 1.00 2.03 H new ATOM 1919 N LEU A 120 -2.277 -4.177 -6.210 1.00 0.33 N ATOM 1920 CA LEU A 120 -2.818 -3.152 -5.272 1.00 0.33 C ATOM 1921 C LEU A 120 -3.581 -2.095 -6.073 1.00 0.25 C ATOM 1922 O LEU A 120 -4.691 -1.724 -5.741 1.00 0.32 O ATOM 1923 CB LEU A 120 -1.665 -2.486 -4.518 1.00 0.34 C ATOM 1924 CG LEU A 120 -2.082 -2.235 -3.068 1.00 0.41 C ATOM 1925 CD1 LEU A 120 -1.001 -1.417 -2.358 1.00 1.12 C ATOM 1926 CD2 LEU A 120 -3.403 -1.465 -3.048 1.00 0.59 C ATOM 0 H LEU A 120 -1.264 -4.172 -6.328 1.00 0.33 H new ATOM 0 HA LEU A 120 -3.488 -3.628 -4.556 1.00 0.33 H new ATOM 0 HB2 LEU A 120 -0.781 -3.122 -4.548 1.00 0.34 H new ATOM 0 HB3 LEU A 120 -1.397 -1.545 -4.999 1.00 0.34 H new ATOM 0 HG LEU A 120 -2.208 -3.188 -2.554 1.00 0.41 H new ATOM 0 HD11 LEU A 120 -1.299 -1.239 -1.325 1.00 1.12 H new ATOM 0 HD12 LEU A 120 -0.060 -1.966 -2.374 1.00 1.12 H new ATOM 0 HD13 LEU A 120 -0.873 -0.462 -2.868 1.00 1.12 H new ATOM 0 HD21 LEU A 120 -3.703 -1.284 -2.016 1.00 0.59 H new ATOM 0 HD22 LEU A 120 -3.276 -0.512 -3.561 1.00 0.59 H new ATOM 0 HD23 LEU A 120 -4.172 -2.049 -3.553 1.00 0.59 H new ATOM 1938 N LYS A 121 -2.992 -1.613 -7.133 1.00 0.16 N ATOM 1939 CA LYS A 121 -3.668 -0.583 -7.971 1.00 0.16 C ATOM 1940 C LYS A 121 -4.911 -1.187 -8.618 1.00 0.22 C ATOM 1941 O LYS A 121 -5.995 -0.652 -8.528 1.00 0.44 O ATOM 1942 CB LYS A 121 -2.712 -0.131 -9.075 1.00 0.16 C ATOM 1943 CG LYS A 121 -3.018 1.318 -9.460 1.00 0.43 C ATOM 1944 CD LYS A 121 -3.837 1.342 -10.752 1.00 1.35 C ATOM 1945 CE LYS A 121 -2.975 0.846 -11.915 1.00 0.27 C ATOM 1946 NZ LYS A 121 -2.384 2.012 -12.630 1.00 1.06 N ATOM 0 H LYS A 121 -2.065 -1.891 -7.456 1.00 0.16 H new ATOM 0 HA LYS A 121 -3.951 0.264 -7.346 1.00 0.16 H new ATOM 0 HB2 LYS A 121 -1.680 -0.217 -8.734 1.00 0.16 H new ATOM 0 HB3 LYS A 121 -2.815 -0.778 -9.946 1.00 0.16 H new ATOM 0 HG2 LYS A 121 -3.569 1.809 -8.658 1.00 0.43 H new ATOM 0 HG3 LYS A 121 -2.090 1.873 -9.595 1.00 0.43 H new ATOM 0 HD2 LYS A 121 -4.720 0.712 -10.646 1.00 1.35 H new ATOM 0 HD3 LYS A 121 -4.189 2.354 -10.953 1.00 1.35 H new ATOM 0 HE2 LYS A 121 -2.184 0.195 -11.543 1.00 0.27 H new ATOM 0 HE3 LYS A 121 -3.579 0.253 -12.602 1.00 0.27 H new ATOM 0 HZ1 LYS A 121 -1.798 1.674 -13.420 1.00 1.06 H new ATOM 0 HZ2 LYS A 121 -3.146 2.617 -12.998 1.00 1.06 H new ATOM 0 HZ3 LYS A 121 -1.794 2.560 -11.972 1.00 1.06 H new ATOM 1960 N THR A 122 -4.743 -2.294 -9.282 1.00 0.12 N ATOM 1961 CA THR A 122 -5.894 -2.959 -9.968 1.00 0.15 C ATOM 1962 C THR A 122 -7.076 -3.102 -9.006 1.00 0.22 C ATOM 1963 O THR A 122 -8.201 -2.779 -9.332 1.00 0.24 O ATOM 1964 CB THR A 122 -5.476 -4.355 -10.461 1.00 0.19 C ATOM 1965 OG1 THR A 122 -4.165 -4.668 -10.015 1.00 0.23 O ATOM 1966 CG2 THR A 122 -5.511 -4.381 -11.989 1.00 0.14 C ATOM 0 H THR A 122 -3.849 -2.775 -9.382 1.00 0.12 H new ATOM 0 HA THR A 122 -6.192 -2.343 -10.817 1.00 0.15 H new ATOM 0 HB THR A 122 -6.169 -5.094 -10.059 1.00 0.19 H new ATOM 0 HG1 THR A 122 -3.524 -4.052 -10.427 1.00 0.23 H new ATOM 0 HG21 THR A 122 -5.215 -5.369 -12.343 1.00 0.14 H new ATOM 0 HG22 THR A 122 -6.521 -4.159 -12.334 1.00 0.14 H new ATOM 0 HG23 THR A 122 -4.822 -3.634 -12.382 1.00 0.14 H new ATOM 1974 N ILE A 123 -6.827 -3.597 -7.833 1.00 0.28 N ATOM 1975 CA ILE A 123 -7.925 -3.784 -6.842 1.00 0.35 C ATOM 1976 C ILE A 123 -8.622 -2.450 -6.555 1.00 0.31 C ATOM 1977 O ILE A 123 -9.831 -2.384 -6.448 1.00 0.41 O ATOM 1978 CB ILE A 123 -7.340 -4.338 -5.541 1.00 0.36 C ATOM 1979 CG1 ILE A 123 -6.985 -5.816 -5.724 1.00 0.40 C ATOM 1980 CG2 ILE A 123 -8.365 -4.196 -4.414 1.00 0.41 C ATOM 1981 CD1 ILE A 123 -8.258 -6.625 -5.985 1.00 0.34 C ATOM 0 H ILE A 123 -5.903 -3.884 -7.511 1.00 0.28 H new ATOM 0 HA ILE A 123 -8.655 -4.482 -7.252 1.00 0.35 H new ATOM 0 HB ILE A 123 -6.440 -3.778 -5.285 1.00 0.36 H new ATOM 0 HG12 ILE A 123 -6.291 -5.933 -6.557 1.00 0.40 H new ATOM 0 HG13 ILE A 123 -6.480 -6.191 -4.834 1.00 0.40 H new ATOM 0 HG21 ILE A 123 -7.946 -4.591 -3.489 1.00 0.41 H new ATOM 0 HG22 ILE A 123 -8.614 -3.143 -4.279 1.00 0.41 H new ATOM 0 HG23 ILE A 123 -9.267 -4.752 -4.670 1.00 0.41 H new ATOM 0 HD11 ILE A 123 -8.001 -7.676 -6.115 1.00 0.34 H new ATOM 0 HD12 ILE A 123 -8.936 -6.519 -5.138 1.00 0.34 H new ATOM 0 HD13 ILE A 123 -8.745 -6.256 -6.888 1.00 0.34 H new ATOM 1993 N MET A 124 -7.874 -1.391 -6.413 1.00 0.23 N ATOM 1994 CA MET A 124 -8.504 -0.071 -6.112 1.00 0.28 C ATOM 1995 C MET A 124 -9.445 0.343 -7.246 1.00 0.49 C ATOM 1996 O MET A 124 -10.613 0.581 -7.036 1.00 0.80 O ATOM 1997 CB MET A 124 -7.416 0.991 -5.938 1.00 0.25 C ATOM 1998 CG MET A 124 -7.536 1.618 -4.552 1.00 1.17 C ATOM 1999 SD MET A 124 -6.564 0.651 -3.373 1.00 0.55 S ATOM 2000 CE MET A 124 -5.902 2.050 -2.439 1.00 0.63 C ATOM 0 H MET A 124 -6.857 -1.380 -6.492 1.00 0.23 H new ATOM 0 HA MET A 124 -9.080 -0.160 -5.191 1.00 0.28 H new ATOM 0 HB2 MET A 124 -6.431 0.542 -6.062 1.00 0.25 H new ATOM 0 HB3 MET A 124 -7.515 1.758 -6.706 1.00 0.25 H new ATOM 0 HG2 MET A 124 -7.182 2.649 -4.574 1.00 1.17 H new ATOM 0 HG3 MET A 124 -8.581 1.647 -4.242 1.00 1.17 H new ATOM 0 HE1 MET A 124 -4.893 1.816 -2.099 1.00 0.63 H new ATOM 0 HE2 MET A 124 -5.874 2.933 -3.077 1.00 0.63 H new ATOM 0 HE3 MET A 124 -6.539 2.246 -1.577 1.00 0.63 H new ATOM 2010 N ARG A 125 -8.946 0.443 -8.443 1.00 0.35 N ATOM 2011 CA ARG A 125 -9.810 0.860 -9.589 1.00 0.56 C ATOM 2012 C ARG A 125 -10.833 -0.234 -9.944 1.00 0.73 C ATOM 2013 O ARG A 125 -11.692 -0.028 -10.780 1.00 1.10 O ATOM 2014 CB ARG A 125 -8.926 1.130 -10.806 1.00 0.43 C ATOM 2015 CG ARG A 125 -9.381 2.416 -11.494 1.00 0.48 C ATOM 2016 CD ARG A 125 -8.290 2.893 -12.453 1.00 0.51 C ATOM 2017 NE ARG A 125 -8.917 3.370 -13.719 1.00 0.99 N ATOM 2018 CZ ARG A 125 -8.235 4.087 -14.582 1.00 1.25 C ATOM 2019 NH1 ARG A 125 -6.981 4.404 -14.364 1.00 1.66 N ATOM 2020 NH2 ARG A 125 -8.816 4.488 -15.680 1.00 1.80 N ATOM 0 H ARG A 125 -7.973 0.254 -8.683 1.00 0.35 H new ATOM 0 HA ARG A 125 -10.354 1.759 -9.301 1.00 0.56 H new ATOM 0 HB2 ARG A 125 -7.884 1.219 -10.499 1.00 0.43 H new ATOM 0 HB3 ARG A 125 -8.983 0.293 -11.502 1.00 0.43 H new ATOM 0 HG2 ARG A 125 -10.309 2.241 -12.039 1.00 0.48 H new ATOM 0 HG3 ARG A 125 -9.589 3.185 -10.750 1.00 0.48 H new ATOM 0 HD2 ARG A 125 -7.713 3.696 -11.995 1.00 0.51 H new ATOM 0 HD3 ARG A 125 -7.594 2.081 -12.663 1.00 0.51 H new ATOM 0 HE ARG A 125 -9.890 3.136 -13.917 1.00 0.99 H new ATOM 0 HH11 ARG A 125 -6.517 4.093 -13.511 1.00 1.66 H new ATOM 0 HH12 ARG A 125 -6.470 4.962 -15.048 1.00 1.66 H new ATOM 0 HH21 ARG A 125 -9.790 4.244 -15.860 1.00 1.80 H new ATOM 0 HH22 ARG A 125 -8.296 5.046 -16.358 1.00 1.80 H new ATOM 2034 N GLU A 126 -10.754 -1.392 -9.343 1.00 0.77 N ATOM 2035 CA GLU A 126 -11.729 -2.468 -9.689 1.00 0.99 C ATOM 2036 C GLU A 126 -13.001 -2.342 -8.842 1.00 0.79 C ATOM 2037 O GLU A 126 -14.100 -2.362 -9.359 1.00 0.81 O ATOM 2038 CB GLU A 126 -11.085 -3.832 -9.434 1.00 1.27 C ATOM 2039 CG GLU A 126 -11.941 -4.928 -10.069 1.00 1.90 C ATOM 2040 CD GLU A 126 -11.689 -4.963 -11.578 1.00 0.42 C ATOM 2041 OE1 GLU A 126 -10.593 -5.333 -11.966 1.00 1.11 O ATOM 2042 OE2 GLU A 126 -12.595 -4.619 -12.318 1.00 1.06 O ATOM 0 H GLU A 126 -10.063 -1.638 -8.634 1.00 0.77 H new ATOM 0 HA GLU A 126 -11.999 -2.370 -10.740 1.00 0.99 H new ATOM 0 HB2 GLU A 126 -10.078 -3.854 -9.852 1.00 1.27 H new ATOM 0 HB3 GLU A 126 -10.989 -4.006 -8.362 1.00 1.27 H new ATOM 0 HG2 GLU A 126 -11.700 -5.895 -9.627 1.00 1.90 H new ATOM 0 HG3 GLU A 126 -12.996 -4.741 -9.870 1.00 1.90 H new ATOM 2049 N LYS A 127 -12.870 -2.241 -7.546 1.00 0.72 N ATOM 2050 CA LYS A 127 -14.086 -2.149 -6.683 1.00 0.68 C ATOM 2051 C LYS A 127 -14.504 -0.688 -6.463 1.00 0.63 C ATOM 2052 O LYS A 127 -15.619 -0.414 -6.066 1.00 0.65 O ATOM 2053 CB LYS A 127 -13.795 -2.802 -5.331 1.00 0.87 C ATOM 2054 CG LYS A 127 -14.888 -3.825 -5.018 1.00 1.23 C ATOM 2055 CD LYS A 127 -16.071 -3.122 -4.348 1.00 2.74 C ATOM 2056 CE LYS A 127 -17.363 -3.477 -5.087 1.00 3.71 C ATOM 2057 NZ LYS A 127 -18.453 -2.555 -4.659 1.00 5.33 N ATOM 0 H LYS A 127 -11.980 -2.218 -7.049 1.00 0.72 H new ATOM 0 HA LYS A 127 -14.904 -2.666 -7.185 1.00 0.68 H new ATOM 0 HB2 LYS A 127 -12.820 -3.289 -5.352 1.00 0.87 H new ATOM 0 HB3 LYS A 127 -13.756 -2.044 -4.549 1.00 0.87 H new ATOM 0 HG2 LYS A 127 -15.215 -4.315 -5.935 1.00 1.23 H new ATOM 0 HG3 LYS A 127 -14.496 -4.603 -4.363 1.00 1.23 H new ATOM 0 HD2 LYS A 127 -16.143 -3.424 -3.303 1.00 2.74 H new ATOM 0 HD3 LYS A 127 -15.919 -2.043 -4.358 1.00 2.74 H new ATOM 0 HE2 LYS A 127 -17.211 -3.401 -6.164 1.00 3.71 H new ATOM 0 HE3 LYS A 127 -17.642 -4.509 -4.876 1.00 3.71 H new ATOM 0 HZ1 LYS A 127 -19.330 -2.798 -5.162 1.00 5.33 H new ATOM 0 HZ2 LYS A 127 -18.604 -2.648 -3.634 1.00 5.33 H new ATOM 0 HZ3 LYS A 127 -18.186 -1.575 -4.882 1.00 5.33 H new ATOM 2071 N TYR A 128 -13.632 0.253 -6.700 1.00 0.67 N ATOM 2072 CA TYR A 128 -14.018 1.679 -6.478 1.00 0.81 C ATOM 2073 C TYR A 128 -14.607 2.289 -7.756 1.00 1.02 C ATOM 2074 O TYR A 128 -14.761 3.489 -7.861 1.00 1.25 O ATOM 2075 CB TYR A 128 -12.794 2.479 -6.025 1.00 0.74 C ATOM 2076 CG TYR A 128 -12.414 2.023 -4.638 1.00 0.75 C ATOM 2077 CD1 TYR A 128 -13.391 1.970 -3.639 1.00 1.70 C ATOM 2078 CD2 TYR A 128 -11.099 1.633 -4.355 1.00 1.02 C ATOM 2079 CE1 TYR A 128 -13.059 1.531 -2.357 1.00 2.48 C ATOM 2080 CE2 TYR A 128 -10.768 1.189 -3.069 1.00 1.78 C ATOM 2081 CZ TYR A 128 -11.750 1.138 -2.074 1.00 2.44 C ATOM 2082 OH TYR A 128 -11.430 0.700 -0.813 1.00 3.34 O ATOM 0 H TYR A 128 -12.680 0.102 -7.034 1.00 0.67 H new ATOM 0 HA TYR A 128 -14.781 1.718 -5.701 1.00 0.81 H new ATOM 0 HB2 TYR A 128 -11.964 2.326 -6.715 1.00 0.74 H new ATOM 0 HB3 TYR A 128 -13.017 3.546 -6.026 1.00 0.74 H new ATOM 0 HD1 TYR A 128 -14.405 2.270 -3.860 1.00 1.70 H new ATOM 0 HD2 TYR A 128 -10.343 1.675 -5.126 1.00 1.02 H new ATOM 0 HE1 TYR A 128 -13.813 1.495 -1.585 1.00 2.48 H new ATOM 0 HE2 TYR A 128 -9.756 0.886 -2.845 1.00 1.78 H new ATOM 0 HH TYR A 128 -10.457 0.614 -0.734 1.00 3.34 H new