USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=30 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 Single : A 7 CYS SG : rot -24:sc= 0.17 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00413 X(o=-0.0041,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= -0.0062 (180deg=-0.169) USER MOD Single : A 17 THR OG1 : rot 104:sc= 1.15 USER MOD Single : A 19 ASN : amide:sc= -0.459 X(o=-0.46,f=-0.095) USER MOD Single : A 20 SER OG : rot -151:sc= 1.43 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 24 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.46) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.677 USER MOD Single : A 29 THR OG1 : rot 146:sc= -2.26 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0307 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 40 SER OG : rot 20:sc= 1.05 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc=0.000639 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0154 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 175:sc= 0.114 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0.066) USER MOD Single : A 60 TYR OH : rot 165:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.48) USER MOD Single : A 63 HIS : no HE2:sc= -5.45! C(o=-5.5!,f=-8.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 75 GLN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.755 K(o=-0.76,f=-1.5!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=-0.56) USER MOD Single : A 80 HIS : no HE2:sc= -4.04! C(o=-4!,f=-6.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0399 K(o=-0.04,f=-0.56) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.213 K(o=-0.21,f=-1) USER MOD Single : A 101 ASN : amide:sc= -0.49 K(o=-0.49,f=-1.8) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 157:sc= -0.147 (180deg=-0.739) USER MOD Single : A 110 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.071) USER MOD Single : A 111 SER OG : rot 170:sc= 0 USER MOD Single : A 112 THR OG1 : rot 17:sc= 0.244 USER MOD Single : A 115 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.0037) USER MOD Single : A 121 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.295) USER MOD Single : A 122 THR OG1 : rot -178:sc= -1.75 USER MOD Single : A 124 MET CE :methyl -123:sc= -7.59! (180deg=-12!) USER MOD Single : A 127 LYS NZ :NH3+ 147:sc= -0.031 (180deg=-0.769) USER MOD Single : A 128 TYR OH : rot 132:sc= 0.591 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -17.715 6.385 -0.032 1.00 1.87 N ATOM 93 CA CYS A 7 -16.487 6.812 -0.764 1.00 1.26 C ATOM 94 C CYS A 7 -16.377 8.337 -0.731 1.00 1.06 C ATOM 95 O CYS A 7 -16.480 8.999 -1.744 1.00 2.24 O ATOM 96 CB CYS A 7 -16.568 6.335 -2.216 1.00 2.13 C ATOM 97 SG CYS A 7 -18.272 6.494 -2.808 1.00 2.68 S ATOM 0 HA CYS A 7 -15.609 6.376 -0.287 1.00 1.26 H new ATOM 0 HB2 CYS A 7 -15.898 6.924 -2.842 1.00 2.13 H new ATOM 0 HB3 CYS A 7 -16.242 5.297 -2.288 1.00 2.13 H new ATOM 0 HG CYS A 7 -19.087 6.476 -1.795 1.00 2.68 H new ATOM 102 N ASP A 8 -16.166 8.899 0.426 1.00 1.25 N ATOM 103 CA ASP A 8 -16.046 10.380 0.524 1.00 2.46 C ATOM 104 C ASP A 8 -14.677 10.811 -0.013 1.00 1.74 C ATOM 105 O ASP A 8 -14.038 10.092 -0.756 1.00 1.72 O ATOM 106 CB ASP A 8 -16.181 10.802 1.989 1.00 3.87 C ATOM 107 CG ASP A 8 -17.181 11.954 2.100 1.00 4.96 C ATOM 108 OD1 ASP A 8 -18.359 11.678 2.257 1.00 5.47 O ATOM 109 OD2 ASP A 8 -16.752 13.094 2.030 1.00 5.56 O ATOM 0 H ASP A 8 -16.071 8.396 1.309 1.00 1.25 H new ATOM 0 HA ASP A 8 -16.832 10.855 -0.063 1.00 2.46 H new ATOM 0 HB2 ASP A 8 -16.515 9.958 2.592 1.00 3.87 H new ATOM 0 HB3 ASP A 8 -15.211 11.110 2.380 1.00 3.87 H new ATOM 114 N ILE A 9 -14.220 11.977 0.356 1.00 1.53 N ATOM 115 CA ILE A 9 -12.892 12.449 -0.134 1.00 0.96 C ATOM 116 C ILE A 9 -11.769 11.553 0.415 1.00 0.84 C ATOM 117 O ILE A 9 -10.647 11.607 -0.045 1.00 0.93 O ATOM 118 CB ILE A 9 -12.667 13.887 0.336 1.00 1.43 C ATOM 119 CG1 ILE A 9 -13.863 14.748 -0.080 1.00 1.34 C ATOM 120 CG2 ILE A 9 -11.393 14.443 -0.302 1.00 1.85 C ATOM 121 CD1 ILE A 9 -14.469 15.409 1.158 1.00 1.43 C ATOM 0 H ILE A 9 -14.708 12.624 0.976 1.00 1.53 H new ATOM 0 HA ILE A 9 -12.878 12.404 -1.223 1.00 0.96 H new ATOM 0 HB ILE A 9 -12.563 13.903 1.421 1.00 1.43 H new ATOM 0 HG12 ILE A 9 -13.547 15.509 -0.794 1.00 1.34 H new ATOM 0 HG13 ILE A 9 -14.611 14.133 -0.580 1.00 1.34 H new ATOM 0 HG21 ILE A 9 -11.235 15.468 0.034 1.00 1.85 H new ATOM 0 HG22 ILE A 9 -10.541 13.829 -0.009 1.00 1.85 H new ATOM 0 HG23 ILE A 9 -11.494 14.429 -1.387 1.00 1.85 H new ATOM 0 HD11 ILE A 9 -15.321 16.022 0.863 1.00 1.43 H new ATOM 0 HD12 ILE A 9 -14.800 14.640 1.856 1.00 1.43 H new ATOM 0 HD13 ILE A 9 -13.719 16.037 1.639 1.00 1.43 H new ATOM 133 N THR A 10 -12.052 10.736 1.399 1.00 0.63 N ATOM 134 CA THR A 10 -10.991 9.856 1.970 1.00 0.53 C ATOM 135 C THR A 10 -10.586 8.781 0.957 1.00 0.50 C ATOM 136 O THR A 10 -9.434 8.655 0.596 1.00 0.45 O ATOM 137 CB THR A 10 -11.529 9.170 3.227 1.00 0.47 C ATOM 138 OG1 THR A 10 -11.805 10.148 4.221 1.00 0.55 O ATOM 139 CG2 THR A 10 -10.489 8.180 3.755 1.00 0.43 C ATOM 0 H THR A 10 -12.972 10.642 1.830 1.00 0.63 H new ATOM 0 HA THR A 10 -10.121 10.467 2.212 1.00 0.53 H new ATOM 0 HB THR A 10 -12.446 8.634 2.983 1.00 0.47 H new ATOM 0 HG1 THR A 10 -12.151 9.708 5.025 1.00 0.55 H new ATOM 0 HG21 THR A 10 -10.873 7.692 4.651 1.00 0.43 H new ATOM 0 HG22 THR A 10 -10.282 7.429 2.993 1.00 0.43 H new ATOM 0 HG23 THR A 10 -9.570 8.713 3.998 1.00 0.43 H new ATOM 147 N LEU A 11 -11.525 7.990 0.516 1.00 0.57 N ATOM 148 CA LEU A 11 -11.203 6.901 -0.452 1.00 0.56 C ATOM 149 C LEU A 11 -10.682 7.486 -1.770 1.00 0.58 C ATOM 150 O LEU A 11 -9.961 6.834 -2.499 1.00 0.54 O ATOM 151 CB LEU A 11 -12.471 6.085 -0.717 1.00 0.66 C ATOM 152 CG LEU A 11 -12.168 4.584 -0.629 1.00 0.40 C ATOM 153 CD1 LEU A 11 -11.588 4.244 0.747 1.00 0.38 C ATOM 154 CD2 LEU A 11 -13.467 3.800 -0.833 1.00 0.82 C ATOM 0 H LEU A 11 -12.507 8.051 0.785 1.00 0.57 H new ATOM 0 HA LEU A 11 -10.427 6.263 -0.029 1.00 0.56 H new ATOM 0 HB2 LEU A 11 -13.240 6.350 0.008 1.00 0.66 H new ATOM 0 HB3 LEU A 11 -12.867 6.326 -1.704 1.00 0.66 H new ATOM 0 HG LEU A 11 -11.443 4.318 -1.398 1.00 0.40 H new ATOM 0 HD11 LEU A 11 -11.376 3.176 0.799 1.00 0.38 H new ATOM 0 HD12 LEU A 11 -10.666 4.804 0.902 1.00 0.38 H new ATOM 0 HD13 LEU A 11 -12.308 4.509 1.521 1.00 0.38 H new ATOM 0 HD21 LEU A 11 -13.260 2.731 -0.772 1.00 0.82 H new ATOM 0 HD22 LEU A 11 -14.184 4.076 -0.060 1.00 0.82 H new ATOM 0 HD23 LEU A 11 -13.883 4.034 -1.813 1.00 0.82 H new ATOM 166 N GLN A 12 -11.033 8.699 -2.087 1.00 0.74 N ATOM 167 CA GLN A 12 -10.547 9.296 -3.365 1.00 0.76 C ATOM 168 C GLN A 12 -9.057 9.622 -3.243 1.00 0.60 C ATOM 169 O GLN A 12 -8.262 9.259 -4.086 1.00 0.52 O ATOM 170 CB GLN A 12 -11.331 10.576 -3.662 1.00 0.95 C ATOM 171 CG GLN A 12 -12.725 10.214 -4.179 1.00 1.49 C ATOM 172 CD GLN A 12 -13.181 11.263 -5.194 1.00 1.18 C ATOM 173 OE1 GLN A 12 -13.640 10.927 -6.268 1.00 1.42 O ATOM 174 NE2 GLN A 12 -13.076 12.529 -4.897 1.00 1.54 N ATOM 0 H GLN A 12 -11.631 9.302 -1.522 1.00 0.74 H new ATOM 0 HA GLN A 12 -10.696 8.585 -4.178 1.00 0.76 H new ATOM 0 HB2 GLN A 12 -11.413 11.182 -2.760 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -10.802 11.176 -4.402 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -12.708 9.228 -4.642 1.00 1.49 H new ATOM 0 HG3 GLN A 12 -13.430 10.164 -3.350 1.00 1.49 H new ATOM 0 HE21 GLN A 12 -12.691 12.811 -3.996 1.00 1.54 H new ATOM 0 HE22 GLN A 12 -13.379 13.237 -5.566 1.00 1.54 H new ATOM 183 N GLU A 13 -8.675 10.305 -2.201 1.00 0.59 N ATOM 184 CA GLU A 13 -7.238 10.657 -2.025 1.00 0.49 C ATOM 185 C GLU A 13 -6.413 9.383 -1.817 1.00 0.39 C ATOM 186 O GLU A 13 -5.237 9.341 -2.117 1.00 0.44 O ATOM 187 CB GLU A 13 -7.084 11.569 -0.807 1.00 0.56 C ATOM 188 CG GLU A 13 -6.547 12.929 -1.254 1.00 0.63 C ATOM 189 CD GLU A 13 -5.045 12.823 -1.523 1.00 1.91 C ATOM 190 OE1 GLU A 13 -4.333 12.392 -0.631 1.00 2.68 O ATOM 191 OE2 GLU A 13 -4.631 13.175 -2.615 1.00 2.79 O ATOM 0 H GLU A 13 -9.296 10.635 -1.462 1.00 0.59 H new ATOM 0 HA GLU A 13 -6.882 11.173 -2.916 1.00 0.49 H new ATOM 0 HB2 GLU A 13 -8.045 11.692 -0.307 1.00 0.56 H new ATOM 0 HB3 GLU A 13 -6.404 11.117 -0.084 1.00 0.56 H new ATOM 0 HG2 GLU A 13 -7.066 13.258 -2.154 1.00 0.63 H new ATOM 0 HG3 GLU A 13 -6.737 13.677 -0.485 1.00 0.63 H new ATOM 198 N ILE A 14 -7.018 8.345 -1.308 1.00 0.29 N ATOM 199 CA ILE A 14 -6.268 7.078 -1.086 1.00 0.25 C ATOM 200 C ILE A 14 -5.995 6.410 -2.434 1.00 0.27 C ATOM 201 O ILE A 14 -4.958 5.819 -2.648 1.00 0.21 O ATOM 202 CB ILE A 14 -7.111 6.141 -0.214 1.00 0.26 C ATOM 203 CG1 ILE A 14 -6.568 6.140 1.219 1.00 0.31 C ATOM 204 CG2 ILE A 14 -7.060 4.716 -0.775 1.00 0.27 C ATOM 205 CD1 ILE A 14 -7.656 6.631 2.176 1.00 0.77 C ATOM 0 H ILE A 14 -8.001 8.320 -1.036 1.00 0.29 H new ATOM 0 HA ILE A 14 -5.323 7.291 -0.587 1.00 0.25 H new ATOM 0 HB ILE A 14 -8.143 6.492 -0.214 1.00 0.26 H new ATOM 0 HG12 ILE A 14 -6.249 5.136 1.498 1.00 0.31 H new ATOM 0 HG13 ILE A 14 -5.691 6.783 1.288 1.00 0.31 H new ATOM 0 HG21 ILE A 14 -7.662 4.057 -0.149 1.00 0.27 H new ATOM 0 HG22 ILE A 14 -7.454 4.711 -1.791 1.00 0.27 H new ATOM 0 HG23 ILE A 14 -6.028 4.365 -0.784 1.00 0.27 H new ATOM 0 HD11 ILE A 14 -7.271 6.631 3.196 1.00 0.77 H new ATOM 0 HD12 ILE A 14 -7.953 7.643 1.901 1.00 0.77 H new ATOM 0 HD13 ILE A 14 -8.520 5.970 2.114 1.00 0.77 H new ATOM 217 N ILE A 15 -6.930 6.493 -3.338 1.00 0.38 N ATOM 218 CA ILE A 15 -6.745 5.859 -4.673 1.00 0.44 C ATOM 219 C ILE A 15 -5.646 6.594 -5.449 1.00 0.42 C ATOM 220 O ILE A 15 -4.725 5.988 -5.968 1.00 0.42 O ATOM 221 CB ILE A 15 -8.070 5.932 -5.435 1.00 0.54 C ATOM 222 CG1 ILE A 15 -8.841 4.625 -5.236 1.00 0.46 C ATOM 223 CG2 ILE A 15 -7.804 6.145 -6.923 1.00 0.63 C ATOM 224 CD1 ILE A 15 -10.340 4.884 -5.393 1.00 0.64 C ATOM 0 H ILE A 15 -7.819 6.975 -3.209 1.00 0.38 H new ATOM 0 HA ILE A 15 -6.446 4.817 -4.555 1.00 0.44 H new ATOM 0 HB ILE A 15 -8.658 6.767 -5.055 1.00 0.54 H new ATOM 0 HG12 ILE A 15 -8.512 3.883 -5.963 1.00 0.46 H new ATOM 0 HG13 ILE A 15 -8.634 4.216 -4.247 1.00 0.46 H new ATOM 0 HG21 ILE A 15 -8.752 6.196 -7.458 1.00 0.63 H new ATOM 0 HG22 ILE A 15 -7.257 7.077 -7.065 1.00 0.63 H new ATOM 0 HG23 ILE A 15 -7.213 5.315 -7.310 1.00 0.63 H new ATOM 0 HD11 ILE A 15 -10.887 3.952 -5.251 1.00 0.64 H new ATOM 0 HD12 ILE A 15 -10.663 5.612 -4.649 1.00 0.64 H new ATOM 0 HD13 ILE A 15 -10.539 5.273 -6.391 1.00 0.64 H new ATOM 236 N LYS A 16 -5.728 7.894 -5.529 1.00 0.42 N ATOM 237 CA LYS A 16 -4.687 8.666 -6.266 1.00 0.44 C ATOM 238 C LYS A 16 -3.312 8.366 -5.668 1.00 0.40 C ATOM 239 O LYS A 16 -2.403 7.935 -6.350 1.00 0.56 O ATOM 240 CB LYS A 16 -4.974 10.163 -6.136 1.00 0.43 C ATOM 241 CG LYS A 16 -5.798 10.636 -7.336 1.00 0.90 C ATOM 242 CD LYS A 16 -7.247 10.169 -7.178 1.00 2.08 C ATOM 243 CE LYS A 16 -7.960 11.047 -6.147 1.00 1.96 C ATOM 244 NZ LYS A 16 -8.287 12.367 -6.756 1.00 1.59 N ATOM 0 H LYS A 16 -6.472 8.456 -5.115 1.00 0.42 H new ATOM 0 HA LYS A 16 -4.701 8.379 -7.318 1.00 0.44 H new ATOM 0 HB2 LYS A 16 -5.515 10.360 -5.211 1.00 0.43 H new ATOM 0 HB3 LYS A 16 -4.038 10.719 -6.083 1.00 0.43 H new ATOM 0 HG2 LYS A 16 -5.761 11.723 -7.410 1.00 0.90 H new ATOM 0 HG3 LYS A 16 -5.376 10.239 -8.259 1.00 0.90 H new ATOM 0 HD2 LYS A 16 -7.764 10.223 -8.136 1.00 2.08 H new ATOM 0 HD3 LYS A 16 -7.271 9.126 -6.861 1.00 2.08 H new ATOM 0 HE2 LYS A 16 -8.872 10.557 -5.805 1.00 1.96 H new ATOM 0 HE3 LYS A 16 -7.325 11.186 -5.272 1.00 1.96 H new ATOM 0 HZ1 LYS A 16 -9.006 12.847 -6.179 1.00 1.59 H new ATOM 0 HZ2 LYS A 16 -7.429 12.953 -6.797 1.00 1.59 H new ATOM 0 HZ3 LYS A 16 -8.655 12.224 -7.718 1.00 1.59 H new ATOM 258 N THR A 17 -3.157 8.600 -4.394 1.00 0.38 N ATOM 259 CA THR A 17 -1.848 8.340 -3.733 1.00 0.39 C ATOM 260 C THR A 17 -1.403 6.907 -4.024 1.00 0.37 C ATOM 261 O THR A 17 -0.227 6.621 -4.140 1.00 0.35 O ATOM 262 CB THR A 17 -1.996 8.524 -2.222 1.00 0.44 C ATOM 263 OG1 THR A 17 -2.779 9.681 -1.963 1.00 0.49 O ATOM 264 CG2 THR A 17 -0.615 8.683 -1.583 1.00 0.50 C ATOM 0 H THR A 17 -3.886 8.962 -3.779 1.00 0.38 H new ATOM 0 HA THR A 17 -1.104 9.038 -4.117 1.00 0.39 H new ATOM 0 HB THR A 17 -2.488 7.649 -1.797 1.00 0.44 H new ATOM 0 HG1 THR A 17 -3.684 9.412 -1.700 1.00 0.49 H new ATOM 0 HG21 THR A 17 -0.725 8.814 -0.506 1.00 0.50 H new ATOM 0 HG22 THR A 17 -0.018 7.793 -1.781 1.00 0.50 H new ATOM 0 HG23 THR A 17 -0.117 9.556 -2.005 1.00 0.50 H new ATOM 272 N LEU A 18 -2.333 6.003 -4.140 1.00 0.40 N ATOM 273 CA LEU A 18 -1.963 4.589 -4.418 1.00 0.41 C ATOM 274 C LEU A 18 -1.128 4.521 -5.699 1.00 0.32 C ATOM 275 O LEU A 18 0.011 4.100 -5.686 1.00 0.49 O ATOM 276 CB LEU A 18 -3.230 3.745 -4.591 1.00 0.43 C ATOM 277 CG LEU A 18 -2.961 2.305 -4.136 1.00 0.60 C ATOM 278 CD1 LEU A 18 -1.768 1.730 -4.902 1.00 0.65 C ATOM 279 CD2 LEU A 18 -2.656 2.292 -2.635 1.00 1.69 C ATOM 0 H LEU A 18 -3.334 6.182 -4.054 1.00 0.40 H new ATOM 0 HA LEU A 18 -1.382 4.200 -3.582 1.00 0.41 H new ATOM 0 HB2 LEU A 18 -4.046 4.174 -4.009 1.00 0.43 H new ATOM 0 HB3 LEU A 18 -3.544 3.754 -5.635 1.00 0.43 H new ATOM 0 HG LEU A 18 -3.843 1.697 -4.336 1.00 0.60 H new ATOM 0 HD11 LEU A 18 -1.583 0.707 -4.573 1.00 0.65 H new ATOM 0 HD12 LEU A 18 -1.985 1.734 -5.970 1.00 0.65 H new ATOM 0 HD13 LEU A 18 -0.884 2.338 -4.709 1.00 0.65 H new ATOM 0 HD21 LEU A 18 -2.465 1.269 -2.311 1.00 1.69 H new ATOM 0 HD22 LEU A 18 -1.777 2.905 -2.437 1.00 1.69 H new ATOM 0 HD23 LEU A 18 -3.509 2.692 -2.087 1.00 1.69 H new ATOM 291 N ASN A 19 -1.691 4.914 -6.809 1.00 0.40 N ATOM 292 CA ASN A 19 -0.931 4.853 -8.091 1.00 0.43 C ATOM 293 C ASN A 19 0.387 5.623 -7.967 1.00 0.41 C ATOM 294 O ASN A 19 1.350 5.332 -8.648 1.00 0.41 O ATOM 295 CB ASN A 19 -1.770 5.464 -9.215 1.00 0.56 C ATOM 296 CG ASN A 19 -0.880 5.719 -10.433 1.00 0.67 C ATOM 297 OD1 ASN A 19 -0.877 6.802 -10.983 1.00 1.77 O ATOM 298 ND2 ASN A 19 -0.119 4.757 -10.882 1.00 1.95 N ATOM 0 H ASN A 19 -2.642 5.274 -6.884 1.00 0.40 H new ATOM 0 HA ASN A 19 -0.713 3.810 -8.319 1.00 0.43 H new ATOM 0 HB2 ASN A 19 -2.586 4.792 -9.481 1.00 0.56 H new ATOM 0 HB3 ASN A 19 -2.223 6.397 -8.880 1.00 0.56 H new ATOM 0 HD21 ASN A 19 0.477 4.915 -11.694 1.00 1.95 H new ATOM 0 HD22 ASN A 19 -0.121 3.847 -10.420 1.00 1.95 H new ATOM 305 N SER A 20 0.444 6.606 -7.111 1.00 0.42 N ATOM 306 CA SER A 20 1.707 7.389 -6.962 1.00 0.43 C ATOM 307 C SER A 20 2.823 6.488 -6.426 1.00 0.36 C ATOM 308 O SER A 20 3.949 6.548 -6.881 1.00 0.42 O ATOM 309 CB SER A 20 1.479 8.550 -5.996 1.00 0.48 C ATOM 310 OG SER A 20 2.592 9.434 -6.056 1.00 0.73 O ATOM 0 H SER A 20 -0.325 6.901 -6.510 1.00 0.42 H new ATOM 0 HA SER A 20 2.001 7.778 -7.937 1.00 0.43 H new ATOM 0 HB2 SER A 20 0.563 9.081 -6.256 1.00 0.48 H new ATOM 0 HB3 SER A 20 1.352 8.174 -4.981 1.00 0.48 H new ATOM 0 HG SER A 20 2.698 9.886 -5.193 1.00 0.73 H new ATOM 316 N LEU A 21 2.529 5.657 -5.464 1.00 0.30 N ATOM 317 CA LEU A 21 3.587 4.761 -4.910 1.00 0.31 C ATOM 318 C LEU A 21 3.958 3.687 -5.940 1.00 0.40 C ATOM 319 O LEU A 21 5.001 3.070 -5.852 1.00 0.40 O ATOM 320 CB LEU A 21 3.076 4.092 -3.634 1.00 0.46 C ATOM 321 CG LEU A 21 3.322 5.019 -2.442 1.00 0.58 C ATOM 322 CD1 LEU A 21 1.995 5.311 -1.740 1.00 1.06 C ATOM 323 CD2 LEU A 21 4.283 4.343 -1.461 1.00 0.44 C ATOM 0 H LEU A 21 1.607 5.559 -5.038 1.00 0.30 H new ATOM 0 HA LEU A 21 4.472 5.355 -4.680 1.00 0.31 H new ATOM 0 HB2 LEU A 21 2.012 3.873 -3.726 1.00 0.46 H new ATOM 0 HB3 LEU A 21 3.585 3.140 -3.480 1.00 0.46 H new ATOM 0 HG LEU A 21 3.759 5.954 -2.792 1.00 0.58 H new ATOM 0 HD11 LEU A 21 2.170 5.971 -0.891 1.00 1.06 H new ATOM 0 HD12 LEU A 21 1.312 5.793 -2.439 1.00 1.06 H new ATOM 0 HD13 LEU A 21 1.556 4.377 -1.389 1.00 1.06 H new ATOM 0 HD21 LEU A 21 4.459 5.003 -0.611 1.00 0.44 H new ATOM 0 HD22 LEU A 21 3.847 3.408 -1.110 1.00 0.44 H new ATOM 0 HD23 LEU A 21 5.229 4.137 -1.962 1.00 0.44 H new ATOM 335 N THR A 22 3.119 3.455 -6.917 1.00 0.52 N ATOM 336 CA THR A 22 3.442 2.421 -7.940 1.00 0.69 C ATOM 337 C THR A 22 4.310 3.024 -9.058 1.00 0.76 C ATOM 338 O THR A 22 4.572 2.381 -10.054 1.00 0.98 O ATOM 339 CB THR A 22 2.142 1.884 -8.544 1.00 0.98 C ATOM 340 OG1 THR A 22 1.147 1.815 -7.532 1.00 1.69 O ATOM 341 CG2 THR A 22 2.382 0.489 -9.123 1.00 1.38 C ATOM 0 H THR A 22 2.229 3.935 -7.049 1.00 0.52 H new ATOM 0 HA THR A 22 3.994 1.612 -7.462 1.00 0.69 H new ATOM 0 HB THR A 22 1.808 2.550 -9.339 1.00 0.98 H new ATOM 0 HG1 THR A 22 0.313 1.473 -7.916 1.00 1.69 H new ATOM 0 HG21 THR A 22 1.455 0.109 -9.552 1.00 1.38 H new ATOM 0 HG22 THR A 22 3.146 0.544 -9.899 1.00 1.38 H new ATOM 0 HG23 THR A 22 2.717 -0.181 -8.331 1.00 1.38 H new ATOM 349 N GLU A 23 4.762 4.245 -8.911 1.00 0.65 N ATOM 350 CA GLU A 23 5.607 4.853 -9.978 1.00 0.84 C ATOM 351 C GLU A 23 6.981 4.174 -9.992 1.00 0.87 C ATOM 352 O GLU A 23 7.638 4.101 -11.012 1.00 0.97 O ATOM 353 CB GLU A 23 5.772 6.350 -9.705 1.00 0.81 C ATOM 354 CG GLU A 23 5.271 7.147 -10.913 1.00 1.71 C ATOM 355 CD GLU A 23 5.069 8.609 -10.513 1.00 1.63 C ATOM 356 OE1 GLU A 23 4.479 8.842 -9.470 1.00 2.18 O ATOM 357 OE2 GLU A 23 5.509 9.472 -11.254 1.00 1.72 O ATOM 0 H GLU A 23 4.583 4.841 -8.103 1.00 0.65 H new ATOM 0 HA GLU A 23 5.128 4.714 -10.947 1.00 0.84 H new ATOM 0 HB2 GLU A 23 5.213 6.632 -8.813 1.00 0.81 H new ATOM 0 HB3 GLU A 23 6.819 6.582 -9.512 1.00 0.81 H new ATOM 0 HG2 GLU A 23 5.989 7.079 -11.730 1.00 1.71 H new ATOM 0 HG3 GLU A 23 4.334 6.726 -11.276 1.00 1.71 H new ATOM 364 N GLN A 24 7.420 3.672 -8.869 1.00 0.80 N ATOM 365 CA GLN A 24 8.748 2.994 -8.816 1.00 0.86 C ATOM 366 C GLN A 24 8.565 1.575 -8.279 1.00 0.76 C ATOM 367 O GLN A 24 8.882 1.285 -7.142 1.00 0.64 O ATOM 368 CB GLN A 24 9.681 3.766 -7.887 1.00 0.81 C ATOM 369 CG GLN A 24 11.136 3.461 -8.249 1.00 1.19 C ATOM 370 CD GLN A 24 11.949 3.256 -6.969 1.00 1.70 C ATOM 371 OE1 GLN A 24 12.761 2.356 -6.889 1.00 2.74 O ATOM 372 NE2 GLN A 24 11.764 4.059 -5.957 1.00 1.81 N ATOM 0 H GLN A 24 6.915 3.702 -7.983 1.00 0.80 H new ATOM 0 HA GLN A 24 9.179 2.960 -9.816 1.00 0.86 H new ATOM 0 HB2 GLN A 24 9.491 4.836 -7.972 1.00 0.81 H new ATOM 0 HB3 GLN A 24 9.488 3.490 -6.850 1.00 0.81 H new ATOM 0 HG2 GLN A 24 11.187 2.568 -8.872 1.00 1.19 H new ATOM 0 HG3 GLN A 24 11.556 4.281 -8.832 1.00 1.19 H new ATOM 0 HE21 GLN A 24 11.082 4.815 -6.024 1.00 1.81 H new ATOM 0 HE22 GLN A 24 12.301 3.931 -5.099 1.00 1.81 H new ATOM 381 N LYS A 25 8.050 0.693 -9.084 1.00 0.85 N ATOM 382 CA LYS A 25 7.838 -0.708 -8.621 1.00 0.81 C ATOM 383 C LYS A 25 8.681 -1.665 -9.467 1.00 0.87 C ATOM 384 O LYS A 25 8.192 -2.285 -10.391 1.00 0.91 O ATOM 385 CB LYS A 25 6.360 -1.074 -8.764 1.00 0.98 C ATOM 386 CG LYS A 25 5.867 -0.672 -10.156 1.00 1.32 C ATOM 387 CD LYS A 25 4.804 -1.665 -10.631 1.00 2.08 C ATOM 388 CE LYS A 25 3.906 -0.990 -11.669 1.00 2.95 C ATOM 389 NZ LYS A 25 4.021 -1.709 -12.968 1.00 3.92 N ATOM 0 H LYS A 25 7.765 0.880 -10.045 1.00 0.85 H new ATOM 0 HA LYS A 25 8.137 -0.790 -7.576 1.00 0.81 H new ATOM 0 HB2 LYS A 25 6.223 -2.145 -8.613 1.00 0.98 H new ATOM 0 HB3 LYS A 25 5.773 -0.567 -7.998 1.00 0.98 H new ATOM 0 HG2 LYS A 25 5.452 0.335 -10.129 1.00 1.32 H new ATOM 0 HG3 LYS A 25 6.701 -0.654 -10.857 1.00 1.32 H new ATOM 0 HD2 LYS A 25 5.280 -2.545 -11.063 1.00 2.08 H new ATOM 0 HD3 LYS A 25 4.207 -2.008 -9.786 1.00 2.08 H new ATOM 0 HE2 LYS A 25 2.871 -0.996 -11.328 1.00 2.95 H new ATOM 0 HE3 LYS A 25 4.195 0.054 -11.792 1.00 2.95 H new ATOM 0 HZ1 LYS A 25 3.410 -1.250 -13.674 1.00 3.92 H new ATOM 0 HZ2 LYS A 25 5.008 -1.681 -13.294 1.00 3.92 H new ATOM 0 HZ3 LYS A 25 3.725 -2.698 -12.845 1.00 3.92 H new ATOM 403 N THR A 26 9.943 -1.796 -9.156 1.00 0.93 N ATOM 404 CA THR A 26 10.812 -2.720 -9.940 1.00 0.98 C ATOM 405 C THR A 26 12.193 -2.803 -9.288 1.00 0.83 C ATOM 406 O THR A 26 12.773 -3.864 -9.174 1.00 0.82 O ATOM 407 CB THR A 26 10.962 -2.199 -11.373 1.00 1.18 C ATOM 408 OG1 THR A 26 10.375 -0.909 -11.475 1.00 0.86 O ATOM 409 CG2 THR A 26 10.268 -3.158 -12.341 1.00 1.99 C ATOM 0 H THR A 26 10.409 -1.304 -8.394 1.00 0.93 H new ATOM 0 HA THR A 26 10.355 -3.709 -9.958 1.00 0.98 H new ATOM 0 HB THR A 26 12.020 -2.134 -11.626 1.00 1.18 H new ATOM 0 HG1 THR A 26 10.473 -0.577 -12.392 1.00 0.86 H new ATOM 0 HG21 THR A 26 10.375 -2.787 -13.360 1.00 1.99 H new ATOM 0 HG22 THR A 26 10.724 -4.145 -12.265 1.00 1.99 H new ATOM 0 HG23 THR A 26 9.210 -3.227 -12.089 1.00 1.99 H new ATOM 417 N LEU A 27 12.723 -1.691 -8.860 1.00 0.77 N ATOM 418 CA LEU A 27 14.068 -1.707 -8.219 1.00 0.70 C ATOM 419 C LEU A 27 13.936 -2.150 -6.762 1.00 0.81 C ATOM 420 O LEU A 27 14.627 -3.038 -6.306 1.00 0.97 O ATOM 421 CB LEU A 27 14.673 -0.301 -8.273 1.00 0.66 C ATOM 422 CG LEU A 27 16.190 -0.391 -8.095 1.00 0.26 C ATOM 423 CD1 LEU A 27 16.814 -1.027 -9.338 1.00 1.01 C ATOM 424 CD2 LEU A 27 16.763 1.015 -7.900 1.00 1.08 C ATOM 0 H LEU A 27 12.284 -0.773 -8.926 1.00 0.77 H new ATOM 0 HA LEU A 27 14.716 -2.404 -8.751 1.00 0.70 H new ATOM 0 HB2 LEU A 27 14.435 0.172 -9.226 1.00 0.66 H new ATOM 0 HB3 LEU A 27 14.241 0.323 -7.491 1.00 0.66 H new ATOM 0 HG LEU A 27 16.418 -1.002 -7.222 1.00 0.26 H new ATOM 0 HD11 LEU A 27 17.895 -1.091 -9.211 1.00 1.01 H new ATOM 0 HD12 LEU A 27 16.406 -2.028 -9.479 1.00 1.01 H new ATOM 0 HD13 LEU A 27 16.587 -0.416 -10.212 1.00 1.01 H new ATOM 0 HD21 LEU A 27 17.844 0.953 -7.773 1.00 1.08 H new ATOM 0 HD22 LEU A 27 16.535 1.625 -8.774 1.00 1.08 H new ATOM 0 HD23 LEU A 27 16.319 1.469 -7.014 1.00 1.08 H new ATOM 436 N CYS A 28 13.054 -1.534 -6.028 1.00 0.80 N ATOM 437 CA CYS A 28 12.875 -1.915 -4.599 1.00 0.98 C ATOM 438 C CYS A 28 11.806 -3.006 -4.474 1.00 0.89 C ATOM 439 O CYS A 28 11.769 -3.738 -3.505 1.00 1.14 O ATOM 440 CB CYS A 28 12.443 -0.686 -3.796 1.00 1.06 C ATOM 441 SG CYS A 28 12.904 -0.906 -2.060 1.00 1.77 S ATOM 0 H CYS A 28 12.448 -0.782 -6.356 1.00 0.80 H new ATOM 0 HA CYS A 28 13.820 -2.296 -4.211 1.00 0.98 H new ATOM 0 HB2 CYS A 28 12.917 0.209 -4.198 1.00 1.06 H new ATOM 0 HB3 CYS A 28 11.366 -0.543 -3.882 1.00 1.06 H new ATOM 446 N THR A 29 10.929 -3.116 -5.436 1.00 0.55 N ATOM 447 CA THR A 29 9.862 -4.153 -5.352 1.00 0.47 C ATOM 448 C THR A 29 10.352 -5.493 -5.919 1.00 0.76 C ATOM 449 O THR A 29 9.576 -6.406 -6.110 1.00 0.83 O ATOM 450 CB THR A 29 8.642 -3.689 -6.149 1.00 0.39 C ATOM 451 OG1 THR A 29 8.992 -3.576 -7.522 1.00 0.64 O ATOM 452 CG2 THR A 29 8.174 -2.330 -5.626 1.00 0.49 C ATOM 0 H THR A 29 10.906 -2.534 -6.273 1.00 0.55 H new ATOM 0 HA THR A 29 9.599 -4.293 -4.303 1.00 0.47 H new ATOM 0 HB THR A 29 7.836 -4.415 -6.037 1.00 0.39 H new ATOM 0 HG1 THR A 29 8.222 -3.819 -8.077 1.00 0.64 H new ATOM 0 HG21 THR A 29 7.305 -2.001 -6.195 1.00 0.49 H new ATOM 0 HG22 THR A 29 7.906 -2.418 -4.573 1.00 0.49 H new ATOM 0 HG23 THR A 29 8.977 -1.601 -5.737 1.00 0.49 H new ATOM 460 N GLU A 30 11.623 -5.631 -6.193 1.00 1.05 N ATOM 461 CA GLU A 30 12.119 -6.925 -6.744 1.00 1.46 C ATOM 462 C GLU A 30 12.614 -7.832 -5.616 1.00 1.68 C ATOM 463 O GLU A 30 13.244 -8.842 -5.860 1.00 2.33 O ATOM 464 CB GLU A 30 13.261 -6.657 -7.725 1.00 1.86 C ATOM 465 CG GLU A 30 12.793 -6.953 -9.150 1.00 3.46 C ATOM 466 CD GLU A 30 13.266 -8.347 -9.566 1.00 4.35 C ATOM 467 OE1 GLU A 30 13.599 -9.124 -8.686 1.00 4.33 O ATOM 468 OE2 GLU A 30 13.286 -8.614 -10.756 1.00 5.21 O ATOM 0 H GLU A 30 12.333 -4.910 -6.060 1.00 1.05 H new ATOM 0 HA GLU A 30 11.300 -7.425 -7.261 1.00 1.46 H new ATOM 0 HB2 GLU A 30 13.586 -5.619 -7.646 1.00 1.86 H new ATOM 0 HB3 GLU A 30 14.121 -7.280 -7.477 1.00 1.86 H new ATOM 0 HG2 GLU A 30 11.706 -6.895 -9.206 1.00 3.46 H new ATOM 0 HG3 GLU A 30 13.188 -6.204 -9.836 1.00 3.46 H new ATOM 475 N LEU A 31 12.321 -7.507 -4.386 1.00 1.29 N ATOM 476 CA LEU A 31 12.764 -8.387 -3.280 1.00 1.69 C ATOM 477 C LEU A 31 11.630 -9.384 -3.004 1.00 1.70 C ATOM 478 O LEU A 31 11.363 -10.232 -3.829 1.00 2.88 O ATOM 479 CB LEU A 31 13.094 -7.537 -2.050 1.00 1.84 C ATOM 480 CG LEU A 31 14.433 -6.831 -2.277 1.00 2.32 C ATOM 481 CD1 LEU A 31 14.458 -5.514 -1.503 1.00 2.23 C ATOM 482 CD2 LEU A 31 15.570 -7.731 -1.788 1.00 3.01 C ATOM 0 H LEU A 31 11.799 -6.677 -4.106 1.00 1.29 H new ATOM 0 HA LEU A 31 13.669 -8.937 -3.540 1.00 1.69 H new ATOM 0 HB2 LEU A 31 12.306 -6.804 -1.877 1.00 1.84 H new ATOM 0 HB3 LEU A 31 13.146 -8.165 -1.161 1.00 1.84 H new ATOM 0 HG LEU A 31 14.559 -6.627 -3.340 1.00 2.32 H new ATOM 0 HD11 LEU A 31 15.413 -5.014 -1.667 1.00 2.23 H new ATOM 0 HD12 LEU A 31 13.648 -4.873 -1.850 1.00 2.23 H new ATOM 0 HD13 LEU A 31 14.331 -5.715 -0.439 1.00 2.23 H new ATOM 0 HD21 LEU A 31 16.525 -7.231 -1.949 1.00 3.01 H new ATOM 0 HD22 LEU A 31 15.441 -7.935 -0.725 1.00 3.01 H new ATOM 0 HD23 LEU A 31 15.555 -8.670 -2.342 1.00 3.01 H new ATOM 494 N THR A 32 10.938 -9.294 -1.892 1.00 0.44 N ATOM 495 CA THR A 32 9.819 -10.252 -1.643 1.00 0.39 C ATOM 496 C THR A 32 9.028 -9.814 -0.408 1.00 0.40 C ATOM 497 O THR A 32 9.562 -9.220 0.506 1.00 0.52 O ATOM 498 CB THR A 32 10.375 -11.663 -1.425 1.00 0.40 C ATOM 499 OG1 THR A 32 11.720 -11.578 -0.978 1.00 0.70 O ATOM 500 CG2 THR A 32 10.319 -12.443 -2.743 1.00 0.37 C ATOM 0 H THR A 32 11.099 -8.607 -1.156 1.00 0.44 H new ATOM 0 HA THR A 32 9.159 -10.259 -2.511 1.00 0.39 H new ATOM 0 HB THR A 32 9.776 -12.178 -0.674 1.00 0.40 H new ATOM 0 HG1 THR A 32 12.075 -12.480 -0.837 1.00 0.70 H new ATOM 0 HG21 THR A 32 10.714 -13.447 -2.589 1.00 0.37 H new ATOM 0 HG22 THR A 32 9.286 -12.508 -3.083 1.00 0.37 H new ATOM 0 HG23 THR A 32 10.917 -11.929 -3.496 1.00 0.37 H new ATOM 508 N VAL A 33 7.757 -10.108 -0.379 1.00 0.42 N ATOM 509 CA VAL A 33 6.920 -9.717 0.789 1.00 0.43 C ATOM 510 C VAL A 33 5.835 -10.774 0.997 1.00 0.43 C ATOM 511 O VAL A 33 5.875 -11.836 0.410 1.00 0.46 O ATOM 512 CB VAL A 33 6.271 -8.360 0.510 1.00 0.42 C ATOM 513 CG1 VAL A 33 7.357 -7.286 0.416 1.00 0.46 C ATOM 514 CG2 VAL A 33 5.504 -8.426 -0.812 1.00 0.50 C ATOM 0 H VAL A 33 7.260 -10.605 -1.118 1.00 0.42 H new ATOM 0 HA VAL A 33 7.537 -9.645 1.685 1.00 0.43 H new ATOM 0 HB VAL A 33 5.583 -8.112 1.318 1.00 0.42 H new ATOM 0 HG11 VAL A 33 6.896 -6.319 0.217 1.00 0.46 H new ATOM 0 HG12 VAL A 33 7.906 -7.240 1.357 1.00 0.46 H new ATOM 0 HG13 VAL A 33 8.044 -7.533 -0.393 1.00 0.46 H new ATOM 0 HG21 VAL A 33 5.041 -7.460 -1.013 1.00 0.50 H new ATOM 0 HG22 VAL A 33 6.192 -8.673 -1.620 1.00 0.50 H new ATOM 0 HG23 VAL A 33 4.731 -9.192 -0.747 1.00 0.50 H new ATOM 524 N THR A 34 4.863 -10.497 1.822 1.00 0.53 N ATOM 525 CA THR A 34 3.783 -11.496 2.055 1.00 0.59 C ATOM 526 C THR A 34 2.721 -11.362 0.961 1.00 0.58 C ATOM 527 O THR A 34 2.306 -10.273 0.615 1.00 0.52 O ATOM 528 CB THR A 34 3.144 -11.241 3.429 1.00 0.59 C ATOM 529 OG1 THR A 34 3.354 -12.373 4.261 1.00 0.60 O ATOM 530 CG2 THR A 34 1.638 -10.987 3.284 1.00 0.61 C ATOM 0 H THR A 34 4.770 -9.625 2.343 1.00 0.53 H new ATOM 0 HA THR A 34 4.202 -12.502 2.030 1.00 0.59 H new ATOM 0 HB THR A 34 3.606 -10.360 3.874 1.00 0.59 H new ATOM 0 HG1 THR A 34 2.949 -12.213 5.139 1.00 0.60 H new ATOM 0 HG21 THR A 34 1.203 -10.808 4.267 1.00 0.61 H new ATOM 0 HG22 THR A 34 1.475 -10.114 2.651 1.00 0.61 H new ATOM 0 HG23 THR A 34 1.164 -11.857 2.830 1.00 0.61 H new ATOM 538 N ASP A 35 2.267 -12.461 0.423 1.00 0.66 N ATOM 539 CA ASP A 35 1.221 -12.390 -0.633 1.00 0.68 C ATOM 540 C ASP A 35 -0.153 -12.499 0.026 1.00 0.66 C ATOM 541 O ASP A 35 -0.426 -13.419 0.774 1.00 0.83 O ATOM 542 CB ASP A 35 1.412 -13.535 -1.634 1.00 0.75 C ATOM 543 CG ASP A 35 0.132 -14.369 -1.722 1.00 1.95 C ATOM 544 OD1 ASP A 35 -0.039 -15.245 -0.889 1.00 3.71 O ATOM 545 OD2 ASP A 35 -0.655 -14.119 -2.620 1.00 1.50 O ATOM 0 H ASP A 35 2.575 -13.402 0.669 1.00 0.66 H new ATOM 0 HA ASP A 35 1.300 -11.443 -1.167 1.00 0.68 H new ATOM 0 HB2 ASP A 35 1.663 -13.133 -2.616 1.00 0.75 H new ATOM 0 HB3 ASP A 35 2.246 -14.165 -1.325 1.00 0.75 H new ATOM 550 N ILE A 36 -1.018 -11.560 -0.233 1.00 0.51 N ATOM 551 CA ILE A 36 -2.371 -11.601 0.386 1.00 0.47 C ATOM 552 C ILE A 36 -3.442 -11.677 -0.712 1.00 0.46 C ATOM 553 O ILE A 36 -4.590 -11.353 -0.490 1.00 0.39 O ATOM 554 CB ILE A 36 -2.572 -10.334 1.224 1.00 0.49 C ATOM 555 CG1 ILE A 36 -3.014 -9.181 0.317 1.00 0.46 C ATOM 556 CG2 ILE A 36 -1.254 -9.961 1.908 1.00 0.52 C ATOM 557 CD1 ILE A 36 -2.767 -7.849 1.028 1.00 0.61 C ATOM 0 H ILE A 36 -0.846 -10.764 -0.848 1.00 0.51 H new ATOM 0 HA ILE A 36 -2.459 -12.480 1.024 1.00 0.47 H new ATOM 0 HB ILE A 36 -3.338 -10.518 1.977 1.00 0.49 H new ATOM 0 HG12 ILE A 36 -2.463 -9.212 -0.623 1.00 0.46 H new ATOM 0 HG13 ILE A 36 -4.071 -9.283 0.070 1.00 0.46 H new ATOM 0 HG21 ILE A 36 -1.396 -9.060 2.504 1.00 0.52 H new ATOM 0 HG22 ILE A 36 -0.936 -10.778 2.555 1.00 0.52 H new ATOM 0 HG23 ILE A 36 -0.490 -9.779 1.152 1.00 0.52 H new ATOM 0 HD11 ILE A 36 -3.081 -7.028 0.383 1.00 0.61 H new ATOM 0 HD12 ILE A 36 -3.338 -7.820 1.956 1.00 0.61 H new ATOM 0 HD13 ILE A 36 -1.705 -7.748 1.252 1.00 0.61 H new ATOM 569 N PHE A 37 -3.079 -12.108 -1.893 1.00 0.56 N ATOM 570 CA PHE A 37 -4.083 -12.201 -2.991 1.00 0.56 C ATOM 571 C PHE A 37 -4.126 -13.633 -3.528 1.00 0.56 C ATOM 572 O PHE A 37 -4.400 -13.861 -4.690 1.00 0.62 O ATOM 573 CB PHE A 37 -3.694 -11.246 -4.120 1.00 0.59 C ATOM 574 CG PHE A 37 -3.792 -9.821 -3.632 1.00 0.44 C ATOM 575 CD1 PHE A 37 -5.035 -9.179 -3.606 1.00 0.42 C ATOM 576 CD2 PHE A 37 -2.644 -9.144 -3.205 1.00 0.61 C ATOM 577 CE1 PHE A 37 -5.130 -7.858 -3.153 1.00 0.32 C ATOM 578 CE2 PHE A 37 -2.740 -7.824 -2.752 1.00 0.59 C ATOM 579 CZ PHE A 37 -3.982 -7.181 -2.725 1.00 0.31 C ATOM 0 H PHE A 37 -2.133 -12.398 -2.142 1.00 0.56 H new ATOM 0 HA PHE A 37 -5.066 -11.929 -2.606 1.00 0.56 H new ATOM 0 HB2 PHE A 37 -2.679 -11.457 -4.456 1.00 0.59 H new ATOM 0 HB3 PHE A 37 -4.350 -11.394 -4.978 1.00 0.59 H new ATOM 0 HD1 PHE A 37 -5.920 -9.702 -3.935 1.00 0.42 H new ATOM 0 HD2 PHE A 37 -1.685 -9.640 -3.225 1.00 0.61 H new ATOM 0 HE1 PHE A 37 -6.089 -7.361 -3.134 1.00 0.32 H new ATOM 0 HE2 PHE A 37 -1.854 -7.301 -2.423 1.00 0.59 H new ATOM 0 HZ PHE A 37 -4.055 -6.162 -2.374 1.00 0.31 H new ATOM 589 N ALA A 38 -3.858 -14.600 -2.694 1.00 0.54 N ATOM 590 CA ALA A 38 -3.887 -16.014 -3.160 1.00 0.56 C ATOM 591 C ALA A 38 -5.340 -16.479 -3.270 1.00 0.79 C ATOM 592 O ALA A 38 -5.697 -17.239 -4.149 1.00 1.08 O ATOM 593 CB ALA A 38 -3.141 -16.897 -2.156 1.00 0.51 C ATOM 0 H ALA A 38 -3.620 -14.472 -1.710 1.00 0.54 H new ATOM 0 HA ALA A 38 -3.405 -16.089 -4.135 1.00 0.56 H new ATOM 0 HB1 ALA A 38 -3.162 -17.932 -2.496 1.00 0.51 H new ATOM 0 HB2 ALA A 38 -2.107 -16.562 -2.075 1.00 0.51 H new ATOM 0 HB3 ALA A 38 -3.623 -16.826 -1.181 1.00 0.51 H new ATOM 599 N ALA A 39 -6.182 -16.024 -2.384 1.00 0.85 N ATOM 600 CA ALA A 39 -7.614 -16.435 -2.433 1.00 1.35 C ATOM 601 C ALA A 39 -8.475 -15.361 -1.760 1.00 1.13 C ATOM 602 O ALA A 39 -8.488 -15.230 -0.552 1.00 0.82 O ATOM 603 CB ALA A 39 -7.787 -17.764 -1.696 1.00 1.84 C ATOM 0 H ALA A 39 -5.940 -15.384 -1.627 1.00 0.85 H new ATOM 0 HA ALA A 39 -7.925 -16.552 -3.471 1.00 1.35 H new ATOM 0 HB1 ALA A 39 -8.834 -18.066 -1.731 1.00 1.84 H new ATOM 0 HB2 ALA A 39 -7.173 -18.528 -2.174 1.00 1.84 H new ATOM 0 HB3 ALA A 39 -7.478 -17.647 -0.657 1.00 1.84 H new ATOM 609 N SER A 40 -9.192 -14.590 -2.531 1.00 1.40 N ATOM 610 CA SER A 40 -10.046 -13.527 -1.931 1.00 1.25 C ATOM 611 C SER A 40 -11.470 -13.638 -2.482 1.00 1.80 C ATOM 612 O SER A 40 -11.746 -13.246 -3.598 1.00 2.30 O ATOM 613 CB SER A 40 -9.471 -12.154 -2.278 1.00 1.17 C ATOM 614 OG SER A 40 -9.602 -11.930 -3.675 1.00 2.21 O ATOM 0 H SER A 40 -9.223 -14.650 -3.549 1.00 1.40 H new ATOM 0 HA SER A 40 -10.067 -13.650 -0.848 1.00 1.25 H new ATOM 0 HB2 SER A 40 -9.995 -11.376 -1.723 1.00 1.17 H new ATOM 0 HB3 SER A 40 -8.422 -12.102 -1.986 1.00 1.17 H new ATOM 0 HG SER A 40 -10.284 -12.532 -4.040 1.00 2.21 H new ATOM 620 N LYS A 41 -12.376 -14.164 -1.704 1.00 1.77 N ATOM 621 CA LYS A 41 -13.783 -14.296 -2.176 1.00 2.30 C ATOM 622 C LYS A 41 -14.741 -13.896 -1.050 1.00 1.72 C ATOM 623 O LYS A 41 -15.873 -14.335 -1.003 1.00 1.28 O ATOM 624 CB LYS A 41 -14.051 -15.749 -2.575 1.00 3.07 C ATOM 625 CG LYS A 41 -15.188 -15.797 -3.598 1.00 4.06 C ATOM 626 CD LYS A 41 -16.401 -16.497 -2.983 1.00 4.44 C ATOM 627 CE LYS A 41 -16.299 -18.004 -3.225 1.00 4.02 C ATOM 628 NZ LYS A 41 -17.650 -18.550 -3.536 1.00 4.93 N ATOM 0 H LYS A 41 -12.202 -14.509 -0.760 1.00 1.77 H new ATOM 0 HA LYS A 41 -13.939 -13.644 -3.036 1.00 2.30 H new ATOM 0 HB2 LYS A 41 -13.149 -16.193 -2.997 1.00 3.07 H new ATOM 0 HB3 LYS A 41 -14.314 -16.336 -1.695 1.00 3.07 H new ATOM 0 HG2 LYS A 41 -15.456 -14.787 -3.907 1.00 4.06 H new ATOM 0 HG3 LYS A 41 -14.864 -16.328 -4.493 1.00 4.06 H new ATOM 0 HD2 LYS A 41 -16.448 -16.292 -1.913 1.00 4.44 H new ATOM 0 HD3 LYS A 41 -17.320 -16.109 -3.423 1.00 4.44 H new ATOM 0 HE2 LYS A 41 -15.615 -18.205 -4.050 1.00 4.02 H new ATOM 0 HE3 LYS A 41 -15.890 -18.498 -2.344 1.00 4.02 H new ATOM 0 HZ1 LYS A 41 -17.581 -19.575 -3.701 1.00 4.93 H new ATOM 0 HZ2 LYS A 41 -18.290 -18.370 -2.736 1.00 4.93 H new ATOM 0 HZ3 LYS A 41 -18.024 -18.087 -4.389 1.00 4.93 H new ATOM 642 N ASP A 42 -14.301 -13.068 -0.141 1.00 1.82 N ATOM 643 CA ASP A 42 -15.191 -12.649 0.976 1.00 1.27 C ATOM 644 C ASP A 42 -14.488 -11.579 1.815 1.00 0.94 C ATOM 645 O ASP A 42 -14.636 -11.523 3.020 1.00 0.64 O ATOM 646 CB ASP A 42 -15.511 -13.864 1.853 1.00 1.28 C ATOM 647 CG ASP A 42 -17.026 -14.068 1.909 1.00 1.62 C ATOM 648 OD1 ASP A 42 -17.667 -13.389 2.694 1.00 1.77 O ATOM 649 OD2 ASP A 42 -17.520 -14.902 1.168 1.00 2.39 O ATOM 0 H ASP A 42 -13.364 -12.665 -0.125 1.00 1.82 H new ATOM 0 HA ASP A 42 -16.117 -12.239 0.572 1.00 1.27 H new ATOM 0 HB2 ASP A 42 -15.028 -14.754 1.450 1.00 1.28 H new ATOM 0 HB3 ASP A 42 -15.116 -13.715 2.858 1.00 1.28 H new ATOM 654 N THR A 43 -13.723 -10.728 1.187 1.00 1.06 N ATOM 655 CA THR A 43 -13.014 -9.662 1.949 1.00 0.75 C ATOM 656 C THR A 43 -13.516 -8.292 1.489 1.00 0.82 C ATOM 657 O THR A 43 -13.858 -8.101 0.340 1.00 1.17 O ATOM 658 CB THR A 43 -11.508 -9.766 1.688 1.00 0.86 C ATOM 659 OG1 THR A 43 -11.285 -10.519 0.504 1.00 0.91 O ATOM 660 CG2 THR A 43 -10.830 -10.460 2.871 1.00 0.72 C ATOM 0 H THR A 43 -13.559 -10.725 0.180 1.00 1.06 H new ATOM 0 HA THR A 43 -13.208 -9.784 3.015 1.00 0.75 H new ATOM 0 HB THR A 43 -11.090 -8.767 1.568 1.00 0.86 H new ATOM 0 HG1 THR A 43 -10.322 -10.585 0.335 1.00 0.91 H new ATOM 0 HG21 THR A 43 -9.759 -10.534 2.684 1.00 0.72 H new ATOM 0 HG22 THR A 43 -11.001 -9.882 3.779 1.00 0.72 H new ATOM 0 HG23 THR A 43 -11.246 -11.460 2.994 1.00 0.72 H new ATOM 668 N THR A 44 -13.566 -7.335 2.376 1.00 0.65 N ATOM 669 CA THR A 44 -14.048 -5.983 1.980 1.00 0.95 C ATOM 670 C THR A 44 -12.861 -5.040 1.835 1.00 0.88 C ATOM 671 O THR A 44 -11.742 -5.392 2.131 1.00 1.06 O ATOM 672 CB THR A 44 -15.005 -5.442 3.046 1.00 1.16 C ATOM 673 OG1 THR A 44 -15.130 -6.393 4.093 1.00 0.99 O ATOM 674 CG2 THR A 44 -16.377 -5.184 2.420 1.00 1.49 C ATOM 0 H THR A 44 -13.295 -7.431 3.354 1.00 0.65 H new ATOM 0 HA THR A 44 -14.573 -6.054 1.028 1.00 0.95 H new ATOM 0 HB THR A 44 -14.612 -4.508 3.448 1.00 1.16 H new ATOM 0 HG1 THR A 44 -15.741 -6.048 4.777 1.00 0.99 H new ATOM 0 HG21 THR A 44 -17.057 -4.799 3.180 1.00 1.49 H new ATOM 0 HG22 THR A 44 -16.279 -4.453 1.617 1.00 1.49 H new ATOM 0 HG23 THR A 44 -16.774 -6.116 2.016 1.00 1.49 H new ATOM 682 N GLU A 45 -13.096 -3.843 1.375 1.00 0.86 N ATOM 683 CA GLU A 45 -11.972 -2.882 1.211 1.00 0.79 C ATOM 684 C GLU A 45 -11.351 -2.590 2.579 1.00 0.64 C ATOM 685 O GLU A 45 -10.174 -2.310 2.689 1.00 0.64 O ATOM 686 CB GLU A 45 -12.488 -1.580 0.589 1.00 0.99 C ATOM 687 CG GLU A 45 -13.748 -1.114 1.322 1.00 0.63 C ATOM 688 CD GLU A 45 -14.921 -1.070 0.340 1.00 0.37 C ATOM 689 OE1 GLU A 45 -14.984 -0.131 -0.437 1.00 0.88 O ATOM 690 OE2 GLU A 45 -15.735 -1.977 0.381 1.00 1.60 O ATOM 0 H GLU A 45 -14.015 -3.490 1.107 1.00 0.86 H new ATOM 0 HA GLU A 45 -11.218 -3.315 0.554 1.00 0.79 H new ATOM 0 HB2 GLU A 45 -11.718 -0.810 0.646 1.00 0.99 H new ATOM 0 HB3 GLU A 45 -12.708 -1.734 -0.467 1.00 0.99 H new ATOM 0 HG2 GLU A 45 -13.974 -1.791 2.146 1.00 0.63 H new ATOM 0 HG3 GLU A 45 -13.586 -0.127 1.756 1.00 0.63 H new ATOM 697 N LYS A 46 -12.133 -2.655 3.624 1.00 0.53 N ATOM 698 CA LYS A 46 -11.586 -2.380 4.984 1.00 0.43 C ATOM 699 C LYS A 46 -10.629 -3.504 5.394 1.00 0.32 C ATOM 700 O LYS A 46 -9.587 -3.263 5.975 1.00 0.31 O ATOM 701 CB LYS A 46 -12.740 -2.282 5.988 1.00 0.39 C ATOM 702 CG LYS A 46 -13.506 -3.608 6.038 1.00 0.37 C ATOM 703 CD LYS A 46 -14.939 -3.356 6.511 1.00 0.60 C ATOM 704 CE LYS A 46 -15.784 -2.854 5.337 1.00 2.36 C ATOM 705 NZ LYS A 46 -16.746 -1.822 5.820 1.00 2.53 N ATOM 0 H LYS A 46 -13.126 -2.886 3.594 1.00 0.53 H new ATOM 0 HA LYS A 46 -11.039 -1.437 4.972 1.00 0.43 H new ATOM 0 HB2 LYS A 46 -12.352 -2.039 6.977 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -13.414 -1.474 5.702 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -13.514 -4.072 5.052 1.00 0.37 H new ATOM 0 HG3 LYS A 46 -13.006 -4.303 6.713 1.00 0.37 H new ATOM 0 HD2 LYS A 46 -15.367 -4.274 6.914 1.00 0.60 H new ATOM 0 HD3 LYS A 46 -14.943 -2.621 7.316 1.00 0.60 H new ATOM 0 HE2 LYS A 46 -15.139 -2.433 4.566 1.00 2.36 H new ATOM 0 HE3 LYS A 46 -16.324 -3.685 4.882 1.00 2.36 H new ATOM 0 HZ1 LYS A 46 -17.320 -1.482 5.022 1.00 2.53 H new ATOM 0 HZ2 LYS A 46 -17.369 -2.239 6.541 1.00 2.53 H new ATOM 0 HZ3 LYS A 46 -16.221 -1.025 6.234 1.00 2.53 H new ATOM 719 N GLU A 47 -10.964 -4.727 5.087 1.00 0.29 N ATOM 720 CA GLU A 47 -10.070 -5.860 5.452 1.00 0.29 C ATOM 721 C GLU A 47 -8.791 -5.775 4.617 1.00 0.38 C ATOM 722 O GLU A 47 -7.713 -6.105 5.073 1.00 0.28 O ATOM 723 CB GLU A 47 -10.782 -7.181 5.159 1.00 0.44 C ATOM 724 CG GLU A 47 -10.621 -8.125 6.351 1.00 0.90 C ATOM 725 CD GLU A 47 -11.686 -7.806 7.403 1.00 0.79 C ATOM 726 OE1 GLU A 47 -12.857 -7.868 7.068 1.00 1.22 O ATOM 727 OE2 GLU A 47 -11.311 -7.504 8.524 1.00 2.03 O ATOM 0 H GLU A 47 -11.820 -4.990 4.598 1.00 0.29 H new ATOM 0 HA GLU A 47 -9.822 -5.809 6.512 1.00 0.29 H new ATOM 0 HB2 GLU A 47 -11.839 -7.001 4.965 1.00 0.44 H new ATOM 0 HB3 GLU A 47 -10.367 -7.638 4.261 1.00 0.44 H new ATOM 0 HG2 GLU A 47 -10.717 -9.160 6.024 1.00 0.90 H new ATOM 0 HG3 GLU A 47 -9.626 -8.017 6.782 1.00 0.90 H new ATOM 734 N THR A 48 -8.906 -5.338 3.392 1.00 0.67 N ATOM 735 CA THR A 48 -7.702 -5.235 2.520 1.00 0.80 C ATOM 736 C THR A 48 -6.843 -4.039 2.944 1.00 0.76 C ATOM 737 O THR A 48 -5.656 -4.003 2.685 1.00 0.81 O ATOM 738 CB THR A 48 -8.145 -5.050 1.066 1.00 1.01 C ATOM 739 OG1 THR A 48 -8.793 -6.232 0.618 1.00 0.95 O ATOM 740 CG2 THR A 48 -6.922 -4.772 0.191 1.00 1.37 C ATOM 0 H THR A 48 -9.782 -5.048 2.958 1.00 0.67 H new ATOM 0 HA THR A 48 -7.114 -6.147 2.616 1.00 0.80 H new ATOM 0 HB THR A 48 -8.835 -4.209 0.998 1.00 1.01 H new ATOM 0 HG1 THR A 48 -9.079 -6.116 -0.312 1.00 0.95 H new ATOM 0 HG21 THR A 48 -7.237 -4.640 -0.844 1.00 1.37 H new ATOM 0 HG22 THR A 48 -6.425 -3.865 0.537 1.00 1.37 H new ATOM 0 HG23 THR A 48 -6.230 -5.612 0.255 1.00 1.37 H new ATOM 748 N PHE A 49 -7.420 -3.057 3.585 1.00 0.72 N ATOM 749 CA PHE A 49 -6.604 -1.879 3.999 1.00 0.77 C ATOM 750 C PHE A 49 -5.733 -2.237 5.205 1.00 0.60 C ATOM 751 O PHE A 49 -4.563 -1.917 5.249 1.00 0.53 O ATOM 752 CB PHE A 49 -7.495 -0.707 4.411 1.00 0.94 C ATOM 753 CG PHE A 49 -8.314 -0.186 3.251 1.00 1.12 C ATOM 754 CD1 PHE A 49 -7.770 -0.115 1.961 1.00 0.47 C ATOM 755 CD2 PHE A 49 -9.628 0.239 3.479 1.00 2.03 C ATOM 756 CE1 PHE A 49 -8.543 0.384 0.905 1.00 0.73 C ATOM 757 CE2 PHE A 49 -10.398 0.738 2.424 1.00 2.32 C ATOM 758 CZ PHE A 49 -9.856 0.811 1.138 1.00 1.68 C ATOM 0 H PHE A 49 -8.408 -3.019 3.837 1.00 0.72 H new ATOM 0 HA PHE A 49 -5.990 -1.597 3.144 1.00 0.77 H new ATOM 0 HB2 PHE A 49 -8.162 -1.023 5.213 1.00 0.94 H new ATOM 0 HB3 PHE A 49 -6.876 0.097 4.809 1.00 0.94 H new ATOM 0 HD1 PHE A 49 -6.757 -0.444 1.782 1.00 0.47 H new ATOM 0 HD2 PHE A 49 -10.048 0.181 4.472 1.00 2.03 H new ATOM 0 HE1 PHE A 49 -8.126 0.439 -0.090 1.00 0.73 H new ATOM 0 HE2 PHE A 49 -11.411 1.067 2.603 1.00 2.32 H new ATOM 0 HZ PHE A 49 -10.450 1.197 0.323 1.00 1.68 H new ATOM 768 N CYS A 50 -6.300 -2.864 6.198 1.00 0.59 N ATOM 769 CA CYS A 50 -5.505 -3.201 7.414 1.00 0.50 C ATOM 770 C CYS A 50 -4.440 -4.251 7.086 1.00 0.35 C ATOM 771 O CYS A 50 -3.286 -4.094 7.426 1.00 0.38 O ATOM 772 CB CYS A 50 -6.437 -3.743 8.499 1.00 0.51 C ATOM 773 SG CYS A 50 -5.486 -4.064 10.005 1.00 1.36 S ATOM 0 H CYS A 50 -7.277 -3.157 6.221 1.00 0.59 H new ATOM 0 HA CYS A 50 -5.009 -2.298 7.769 1.00 0.50 H new ATOM 0 HB2 CYS A 50 -7.231 -3.025 8.704 1.00 0.51 H new ATOM 0 HB3 CYS A 50 -6.917 -4.660 8.157 1.00 0.51 H new ATOM 778 N ARG A 51 -4.811 -5.322 6.439 1.00 0.28 N ATOM 779 CA ARG A 51 -3.800 -6.368 6.108 1.00 0.15 C ATOM 780 C ARG A 51 -2.700 -5.746 5.250 1.00 0.10 C ATOM 781 O ARG A 51 -1.527 -5.797 5.581 1.00 0.11 O ATOM 782 CB ARG A 51 -4.473 -7.506 5.339 1.00 0.17 C ATOM 783 CG ARG A 51 -4.542 -8.748 6.230 1.00 0.37 C ATOM 784 CD ARG A 51 -5.914 -9.411 6.087 1.00 0.43 C ATOM 785 NE ARG A 51 -6.390 -9.853 7.431 1.00 1.86 N ATOM 786 CZ ARG A 51 -7.642 -10.203 7.625 1.00 2.73 C ATOM 787 NH1 ARG A 51 -8.513 -10.189 6.645 1.00 2.47 N ATOM 788 NH2 ARG A 51 -8.024 -10.575 8.816 1.00 3.97 N ATOM 0 H ARG A 51 -5.762 -5.518 6.127 1.00 0.28 H new ATOM 0 HA ARG A 51 -3.367 -6.765 7.026 1.00 0.15 H new ATOM 0 HB2 ARG A 51 -5.476 -7.209 5.031 1.00 0.17 H new ATOM 0 HB3 ARG A 51 -3.913 -7.727 4.430 1.00 0.17 H new ATOM 0 HG2 ARG A 51 -3.757 -9.451 5.951 1.00 0.37 H new ATOM 0 HG3 ARG A 51 -4.368 -8.471 7.270 1.00 0.37 H new ATOM 0 HD2 ARG A 51 -6.625 -8.711 5.649 1.00 0.43 H new ATOM 0 HD3 ARG A 51 -5.850 -10.265 5.412 1.00 0.43 H new ATOM 0 HE ARG A 51 -5.733 -9.884 8.211 1.00 1.86 H new ATOM 0 HH11 ARG A 51 -8.224 -9.903 5.710 1.00 2.47 H new ATOM 0 HH12 ARG A 51 -9.480 -10.465 6.818 1.00 2.47 H new ATOM 0 HH21 ARG A 51 -7.354 -10.592 9.585 1.00 3.97 H new ATOM 0 HH22 ARG A 51 -8.993 -10.849 8.978 1.00 3.97 H new ATOM 802 N ALA A 52 -3.067 -5.144 4.154 1.00 0.13 N ATOM 803 CA ALA A 52 -2.047 -4.505 3.282 1.00 0.11 C ATOM 804 C ALA A 52 -1.378 -3.345 4.029 1.00 0.11 C ATOM 805 O ALA A 52 -0.332 -2.873 3.637 1.00 0.17 O ATOM 806 CB ALA A 52 -2.720 -3.975 2.020 1.00 0.15 C ATOM 0 H ALA A 52 -4.030 -5.067 3.825 1.00 0.13 H new ATOM 0 HA ALA A 52 -1.291 -5.242 3.012 1.00 0.11 H new ATOM 0 HB1 ALA A 52 -1.973 -3.506 1.379 1.00 0.15 H new ATOM 0 HB2 ALA A 52 -3.191 -4.800 1.485 1.00 0.15 H new ATOM 0 HB3 ALA A 52 -3.477 -3.240 2.293 1.00 0.15 H new ATOM 812 N ALA A 53 -1.967 -2.880 5.102 1.00 0.19 N ATOM 813 CA ALA A 53 -1.349 -1.759 5.862 1.00 0.25 C ATOM 814 C ALA A 53 -0.201 -2.310 6.709 1.00 0.27 C ATOM 815 O ALA A 53 0.785 -1.641 6.947 1.00 0.28 O ATOM 816 CB ALA A 53 -2.398 -1.116 6.772 1.00 0.33 C ATOM 0 H ALA A 53 -2.847 -3.229 5.481 1.00 0.19 H new ATOM 0 HA ALA A 53 -0.969 -1.007 5.170 1.00 0.25 H new ATOM 0 HB1 ALA A 53 -1.944 -0.296 7.328 1.00 0.33 H new ATOM 0 HB2 ALA A 53 -3.220 -0.733 6.166 1.00 0.33 H new ATOM 0 HB3 ALA A 53 -2.779 -1.861 7.471 1.00 0.33 H new ATOM 822 N THR A 54 -0.316 -3.533 7.154 1.00 0.32 N ATOM 823 CA THR A 54 0.774 -4.133 7.970 1.00 0.37 C ATOM 824 C THR A 54 1.962 -4.406 7.053 1.00 0.37 C ATOM 825 O THR A 54 3.091 -4.068 7.358 1.00 0.42 O ATOM 826 CB THR A 54 0.290 -5.446 8.592 1.00 0.38 C ATOM 827 OG1 THR A 54 -0.569 -5.158 9.687 1.00 0.30 O ATOM 828 CG2 THR A 54 1.490 -6.257 9.084 1.00 0.38 C ATOM 0 H THR A 54 -1.118 -4.140 6.987 1.00 0.32 H new ATOM 0 HA THR A 54 1.064 -3.452 8.770 1.00 0.37 H new ATOM 0 HB THR A 54 -0.251 -6.024 7.843 1.00 0.38 H new ATOM 0 HG1 THR A 54 -0.948 -5.993 10.034 1.00 0.30 H new ATOM 0 HG21 THR A 54 1.142 -7.191 9.526 1.00 0.38 H new ATOM 0 HG22 THR A 54 2.149 -6.477 8.244 1.00 0.38 H new ATOM 0 HG23 THR A 54 2.035 -5.682 9.833 1.00 0.38 H new ATOM 836 N VAL A 55 1.715 -4.998 5.917 1.00 0.32 N ATOM 837 CA VAL A 55 2.829 -5.269 4.970 1.00 0.34 C ATOM 838 C VAL A 55 3.414 -3.930 4.514 1.00 0.35 C ATOM 839 O VAL A 55 4.602 -3.799 4.280 1.00 0.36 O ATOM 840 CB VAL A 55 2.297 -6.041 3.762 1.00 0.29 C ATOM 841 CG1 VAL A 55 3.377 -6.104 2.680 1.00 0.43 C ATOM 842 CG2 VAL A 55 1.927 -7.463 4.193 1.00 0.47 C ATOM 0 H VAL A 55 0.793 -5.304 5.606 1.00 0.32 H new ATOM 0 HA VAL A 55 3.601 -5.865 5.457 1.00 0.34 H new ATOM 0 HB VAL A 55 1.415 -5.536 3.367 1.00 0.29 H new ATOM 0 HG11 VAL A 55 2.998 -6.654 1.819 1.00 0.43 H new ATOM 0 HG12 VAL A 55 3.646 -5.093 2.375 1.00 0.43 H new ATOM 0 HG13 VAL A 55 4.258 -6.610 3.074 1.00 0.43 H new ATOM 0 HG21 VAL A 55 1.547 -8.016 3.334 1.00 0.47 H new ATOM 0 HG22 VAL A 55 2.811 -7.965 4.587 1.00 0.47 H new ATOM 0 HG23 VAL A 55 1.159 -7.421 4.966 1.00 0.47 H new ATOM 852 N LEU A 56 2.582 -2.929 4.405 1.00 0.34 N ATOM 853 CA LEU A 56 3.067 -1.587 3.983 1.00 0.35 C ATOM 854 C LEU A 56 3.938 -1.000 5.095 1.00 0.40 C ATOM 855 O LEU A 56 4.833 -0.218 4.848 1.00 0.43 O ATOM 856 CB LEU A 56 1.869 -0.663 3.743 1.00 0.27 C ATOM 857 CG LEU A 56 1.689 -0.423 2.243 1.00 0.30 C ATOM 858 CD1 LEU A 56 1.197 -1.707 1.571 1.00 0.67 C ATOM 859 CD2 LEU A 56 0.658 0.689 2.029 1.00 0.65 C ATOM 0 H LEU A 56 1.581 -2.986 4.592 1.00 0.34 H new ATOM 0 HA LEU A 56 3.646 -1.679 3.064 1.00 0.35 H new ATOM 0 HB2 LEU A 56 0.966 -1.109 4.160 1.00 0.27 H new ATOM 0 HB3 LEU A 56 2.022 0.286 4.256 1.00 0.27 H new ATOM 0 HG LEU A 56 2.643 -0.129 1.806 1.00 0.30 H new ATOM 0 HD11 LEU A 56 1.070 -1.533 0.503 1.00 0.67 H new ATOM 0 HD12 LEU A 56 1.928 -2.501 1.725 1.00 0.67 H new ATOM 0 HD13 LEU A 56 0.243 -2.003 2.007 1.00 0.67 H new ATOM 0 HD21 LEU A 56 0.527 0.863 0.961 1.00 0.65 H new ATOM 0 HD22 LEU A 56 -0.294 0.391 2.468 1.00 0.65 H new ATOM 0 HD23 LEU A 56 1.007 1.605 2.506 1.00 0.65 H new ATOM 871 N ARG A 57 3.679 -1.372 6.321 1.00 0.43 N ATOM 872 CA ARG A 57 4.488 -0.840 7.451 1.00 0.48 C ATOM 873 C ARG A 57 5.859 -1.519 7.462 1.00 0.46 C ATOM 874 O ARG A 57 6.836 -0.953 7.907 1.00 0.46 O ATOM 875 CB ARG A 57 3.763 -1.127 8.769 1.00 0.42 C ATOM 876 CG ARG A 57 4.314 -0.215 9.866 1.00 0.64 C ATOM 877 CD ARG A 57 3.189 0.672 10.405 1.00 1.69 C ATOM 878 NE ARG A 57 3.755 1.982 10.837 1.00 2.60 N ATOM 879 CZ ARG A 57 2.975 3.016 11.058 1.00 3.88 C ATOM 880 NH1 ARG A 57 1.676 2.938 10.894 1.00 4.57 N ATOM 881 NH2 ARG A 57 3.505 4.145 11.443 1.00 4.64 N ATOM 0 H ARG A 57 2.940 -2.023 6.587 1.00 0.43 H new ATOM 0 HA ARG A 57 4.620 0.236 7.333 1.00 0.48 H new ATOM 0 HB2 ARG A 57 2.692 -0.963 8.650 1.00 0.42 H new ATOM 0 HB3 ARG A 57 3.897 -2.172 9.049 1.00 0.42 H new ATOM 0 HG2 ARG A 57 4.738 -0.813 10.672 1.00 0.64 H new ATOM 0 HG3 ARG A 57 5.120 0.402 9.470 1.00 0.64 H new ATOM 0 HD2 ARG A 57 2.432 0.826 9.636 1.00 1.69 H new ATOM 0 HD3 ARG A 57 2.695 0.182 11.244 1.00 1.69 H new ATOM 0 HE ARG A 57 4.763 2.077 10.963 1.00 2.60 H new ATOM 0 HH11 ARG A 57 1.252 2.062 10.589 1.00 4.57 H new ATOM 0 HH12 ARG A 57 1.090 3.754 11.071 1.00 4.57 H new ATOM 0 HH21 ARG A 57 4.515 4.218 11.569 1.00 4.64 H new ATOM 0 HH22 ARG A 57 2.910 4.955 11.618 1.00 4.64 H new ATOM 895 N GLN A 58 5.942 -2.730 6.978 1.00 0.57 N ATOM 896 CA GLN A 58 7.255 -3.434 6.964 1.00 0.55 C ATOM 897 C GLN A 58 8.117 -2.890 5.820 1.00 0.58 C ATOM 898 O GLN A 58 9.329 -2.898 5.889 1.00 0.61 O ATOM 899 CB GLN A 58 7.030 -4.936 6.763 1.00 0.56 C ATOM 900 CG GLN A 58 8.290 -5.701 7.176 1.00 1.40 C ATOM 901 CD GLN A 58 8.876 -6.420 5.959 1.00 2.63 C ATOM 902 OE1 GLN A 58 9.761 -5.906 5.304 1.00 3.51 O ATOM 903 NE2 GLN A 58 8.417 -7.596 5.626 1.00 3.14 N ATOM 0 H GLN A 58 5.160 -3.260 6.593 1.00 0.57 H new ATOM 0 HA GLN A 58 7.764 -3.267 7.913 1.00 0.55 H new ATOM 0 HB2 GLN A 58 6.178 -5.269 7.356 1.00 0.56 H new ATOM 0 HB3 GLN A 58 6.792 -5.142 5.720 1.00 0.56 H new ATOM 0 HG2 GLN A 58 9.025 -5.013 7.593 1.00 1.40 H new ATOM 0 HG3 GLN A 58 8.050 -6.423 7.957 1.00 1.40 H new ATOM 0 HE21 GLN A 58 7.674 -8.028 6.176 1.00 3.14 H new ATOM 0 HE22 GLN A 58 8.801 -8.083 4.816 1.00 3.14 H new ATOM 912 N PHE A 59 7.500 -2.425 4.766 1.00 0.63 N ATOM 913 CA PHE A 59 8.288 -1.889 3.616 1.00 0.71 C ATOM 914 C PHE A 59 8.653 -0.421 3.866 1.00 0.54 C ATOM 915 O PHE A 59 9.654 0.070 3.385 1.00 0.56 O ATOM 916 CB PHE A 59 7.449 -2.005 2.338 1.00 1.13 C ATOM 917 CG PHE A 59 7.501 -0.708 1.563 1.00 0.35 C ATOM 918 CD1 PHE A 59 8.663 -0.354 0.867 1.00 1.59 C ATOM 919 CD2 PHE A 59 6.383 0.137 1.531 1.00 0.99 C ATOM 920 CE1 PHE A 59 8.709 0.843 0.143 1.00 2.09 C ATOM 921 CE2 PHE A 59 6.431 1.335 0.807 1.00 1.72 C ATOM 922 CZ PHE A 59 7.593 1.687 0.113 1.00 1.99 C ATOM 0 H PHE A 59 6.487 -2.393 4.651 1.00 0.63 H new ATOM 0 HA PHE A 59 9.208 -2.464 3.507 1.00 0.71 H new ATOM 0 HB2 PHE A 59 7.823 -2.822 1.721 1.00 1.13 H new ATOM 0 HB3 PHE A 59 6.416 -2.245 2.592 1.00 1.13 H new ATOM 0 HD1 PHE A 59 9.524 -1.005 0.889 1.00 1.59 H new ATOM 0 HD2 PHE A 59 5.485 -0.136 2.065 1.00 0.99 H new ATOM 0 HE1 PHE A 59 9.606 1.115 -0.393 1.00 2.09 H new ATOM 0 HE2 PHE A 59 5.570 1.987 0.785 1.00 1.72 H new ATOM 0 HZ PHE A 59 7.629 2.610 -0.446 1.00 1.99 H new ATOM 932 N TYR A 60 7.850 0.287 4.606 1.00 0.54 N ATOM 933 CA TYR A 60 8.157 1.722 4.874 1.00 0.55 C ATOM 934 C TYR A 60 8.983 1.869 6.160 1.00 0.50 C ATOM 935 O TYR A 60 9.591 2.892 6.395 1.00 0.60 O ATOM 936 CB TYR A 60 6.846 2.496 5.026 1.00 0.77 C ATOM 937 CG TYR A 60 6.868 3.286 6.314 1.00 0.56 C ATOM 938 CD1 TYR A 60 6.439 2.692 7.508 1.00 0.25 C ATOM 939 CD2 TYR A 60 7.316 4.612 6.315 1.00 1.07 C ATOM 940 CE1 TYR A 60 6.457 3.424 8.700 1.00 0.63 C ATOM 941 CE2 TYR A 60 7.334 5.344 7.507 1.00 1.19 C ATOM 942 CZ TYR A 60 6.905 4.750 8.700 1.00 0.96 C ATOM 943 OH TYR A 60 6.921 5.471 9.876 1.00 1.33 O ATOM 0 H TYR A 60 6.995 -0.063 5.038 1.00 0.54 H new ATOM 0 HA TYR A 60 8.735 2.119 4.040 1.00 0.55 H new ATOM 0 HB2 TYR A 60 6.708 3.167 4.178 1.00 0.77 H new ATOM 0 HB3 TYR A 60 6.003 1.806 5.026 1.00 0.77 H new ATOM 0 HD1 TYR A 60 6.094 1.669 7.508 1.00 0.25 H new ATOM 0 HD2 TYR A 60 7.648 5.070 5.395 1.00 1.07 H new ATOM 0 HE1 TYR A 60 6.125 2.966 9.620 1.00 0.63 H new ATOM 0 HE2 TYR A 60 7.679 6.367 7.507 1.00 1.19 H new ATOM 0 HH TYR A 60 7.470 6.274 9.760 1.00 1.33 H new ATOM 953 N SER A 61 8.995 0.871 7.004 1.00 0.40 N ATOM 954 CA SER A 61 9.770 0.985 8.275 1.00 0.41 C ATOM 955 C SER A 61 11.197 0.459 8.089 1.00 0.42 C ATOM 956 O SER A 61 12.156 1.106 8.460 1.00 0.51 O ATOM 957 CB SER A 61 9.071 0.176 9.368 1.00 0.34 C ATOM 958 OG SER A 61 9.567 0.579 10.638 1.00 0.76 O ATOM 0 H SER A 61 8.505 -0.013 6.870 1.00 0.40 H new ATOM 0 HA SER A 61 9.820 2.036 8.561 1.00 0.41 H new ATOM 0 HB2 SER A 61 7.993 0.332 9.319 1.00 0.34 H new ATOM 0 HB3 SER A 61 9.246 -0.889 9.217 1.00 0.34 H new ATOM 0 HG SER A 61 9.120 0.064 11.342 1.00 0.76 H new ATOM 964 N HIS A 62 11.348 -0.717 7.545 1.00 0.33 N ATOM 965 CA HIS A 62 12.718 -1.284 7.372 1.00 0.35 C ATOM 966 C HIS A 62 13.307 -0.866 6.021 1.00 0.36 C ATOM 967 O HIS A 62 14.418 -0.382 5.944 1.00 0.48 O ATOM 968 CB HIS A 62 12.647 -2.810 7.444 1.00 0.32 C ATOM 969 CG HIS A 62 13.323 -3.285 8.701 1.00 0.59 C ATOM 970 ND1 HIS A 62 14.559 -2.803 9.103 1.00 1.82 N ATOM 971 CD2 HIS A 62 12.946 -4.195 9.658 1.00 0.49 C ATOM 972 CE1 HIS A 62 14.879 -3.420 10.256 1.00 1.78 C ATOM 973 NE2 HIS A 62 13.930 -4.278 10.639 1.00 0.75 N ATOM 0 H HIS A 62 10.586 -1.309 7.214 1.00 0.33 H new ATOM 0 HA HIS A 62 13.359 -0.902 8.167 1.00 0.35 H new ATOM 0 HB2 HIS A 62 11.607 -3.137 7.432 1.00 0.32 H new ATOM 0 HB3 HIS A 62 13.130 -3.249 6.571 1.00 0.32 H new ATOM 0 HD2 HIS A 62 12.026 -4.760 9.651 1.00 0.49 H new ATOM 0 HE1 HIS A 62 15.792 -3.243 10.805 1.00 1.78 H new ATOM 0 HE2 HIS A 62 13.927 -4.867 11.471 1.00 0.75 H new ATOM 981 N HIS A 63 12.581 -1.062 4.957 1.00 0.33 N ATOM 982 CA HIS A 63 13.113 -0.685 3.616 1.00 0.37 C ATOM 983 C HIS A 63 13.317 0.835 3.523 1.00 0.36 C ATOM 984 O HIS A 63 14.005 1.319 2.646 1.00 0.55 O ATOM 985 CB HIS A 63 12.125 -1.136 2.538 1.00 0.37 C ATOM 986 CG HIS A 63 12.715 -2.281 1.763 1.00 1.12 C ATOM 987 ND1 HIS A 63 14.051 -2.318 1.395 1.00 1.59 N ATOM 988 CD2 HIS A 63 12.161 -3.439 1.282 1.00 1.78 C ATOM 989 CE1 HIS A 63 14.253 -3.466 0.722 1.00 2.31 C ATOM 990 NE2 HIS A 63 13.132 -4.186 0.625 1.00 2.43 N ATOM 0 H HIS A 63 11.644 -1.466 4.956 1.00 0.33 H new ATOM 0 HA HIS A 63 14.076 -1.174 3.467 1.00 0.37 H new ATOM 0 HB2 HIS A 63 11.184 -1.440 2.997 1.00 0.37 H new ATOM 0 HB3 HIS A 63 11.899 -0.307 1.867 1.00 0.37 H new ATOM 0 HD1 HIS A 63 14.753 -1.606 1.597 1.00 1.59 H new ATOM 0 HD2 HIS A 63 11.127 -3.727 1.396 1.00 1.78 H new ATOM 0 HE1 HIS A 63 15.205 -3.768 0.311 1.00 2.31 H new ATOM 998 N GLU A 64 12.728 1.596 4.410 1.00 0.45 N ATOM 999 CA GLU A 64 12.899 3.077 4.348 1.00 0.41 C ATOM 1000 C GLU A 64 14.356 3.449 4.639 1.00 0.31 C ATOM 1001 O GLU A 64 14.849 4.457 4.175 1.00 0.37 O ATOM 1002 CB GLU A 64 11.989 3.738 5.384 1.00 0.42 C ATOM 1003 CG GLU A 64 12.658 5.006 5.923 1.00 0.58 C ATOM 1004 CD GLU A 64 11.631 5.835 6.697 1.00 1.00 C ATOM 1005 OE1 GLU A 64 10.767 5.240 7.318 1.00 1.57 O ATOM 1006 OE2 GLU A 64 11.726 7.050 6.653 1.00 1.82 O ATOM 0 H GLU A 64 12.139 1.257 5.171 1.00 0.45 H new ATOM 0 HA GLU A 64 12.634 3.426 3.350 1.00 0.41 H new ATOM 0 HB2 GLU A 64 11.028 3.986 4.933 1.00 0.42 H new ATOM 0 HB3 GLU A 64 11.789 3.045 6.201 1.00 0.42 H new ATOM 0 HG2 GLU A 64 13.492 4.742 6.573 1.00 0.58 H new ATOM 0 HG3 GLU A 64 13.068 5.592 5.100 1.00 0.58 H new ATOM 1013 N LYS A 65 15.048 2.648 5.404 1.00 0.22 N ATOM 1014 CA LYS A 65 16.472 2.970 5.717 1.00 0.12 C ATOM 1015 C LYS A 65 17.398 1.836 5.254 1.00 0.17 C ATOM 1016 O LYS A 65 18.574 1.833 5.558 1.00 0.55 O ATOM 1017 CB LYS A 65 16.642 3.170 7.226 1.00 0.13 C ATOM 1018 CG LYS A 65 15.355 2.781 7.956 1.00 2.46 C ATOM 1019 CD LYS A 65 15.534 3.022 9.457 1.00 2.93 C ATOM 1020 CE LYS A 65 14.642 2.060 10.243 1.00 5.07 C ATOM 1021 NZ LYS A 65 13.659 2.839 11.048 1.00 6.22 N ATOM 0 H LYS A 65 14.692 1.789 5.824 1.00 0.22 H new ATOM 0 HA LYS A 65 16.739 3.886 5.190 1.00 0.12 H new ATOM 0 HB2 LYS A 65 17.473 2.565 7.590 1.00 0.13 H new ATOM 0 HB3 LYS A 65 16.889 4.210 7.437 1.00 0.13 H new ATOM 0 HG2 LYS A 65 14.517 3.368 7.579 1.00 2.46 H new ATOM 0 HG3 LYS A 65 15.120 1.733 7.769 1.00 2.46 H new ATOM 0 HD2 LYS A 65 16.577 2.877 9.737 1.00 2.93 H new ATOM 0 HD3 LYS A 65 15.279 4.053 9.703 1.00 2.93 H new ATOM 0 HE2 LYS A 65 14.119 1.391 9.559 1.00 5.07 H new ATOM 0 HE3 LYS A 65 15.250 1.435 10.897 1.00 5.07 H new ATOM 0 HZ1 LYS A 65 13.052 2.185 11.583 1.00 6.22 H new ATOM 0 HZ2 LYS A 65 14.167 3.460 11.710 1.00 6.22 H new ATOM 0 HZ3 LYS A 65 13.071 3.417 10.414 1.00 6.22 H new ATOM 1035 N ASP A 66 16.896 0.879 4.516 1.00 0.56 N ATOM 1036 CA ASP A 66 17.778 -0.227 4.048 1.00 0.56 C ATOM 1037 C ASP A 66 18.609 0.264 2.863 1.00 0.50 C ATOM 1038 O ASP A 66 18.088 0.820 1.918 1.00 0.73 O ATOM 1039 CB ASP A 66 16.923 -1.417 3.608 1.00 0.58 C ATOM 1040 CG ASP A 66 16.563 -2.271 4.826 1.00 1.15 C ATOM 1041 OD1 ASP A 66 17.425 -2.460 5.669 1.00 1.11 O ATOM 1042 OD2 ASP A 66 15.431 -2.723 4.894 1.00 2.07 O ATOM 0 H ASP A 66 15.922 0.817 4.220 1.00 0.56 H new ATOM 0 HA ASP A 66 18.436 -0.537 4.860 1.00 0.56 H new ATOM 0 HB2 ASP A 66 16.016 -1.064 3.118 1.00 0.58 H new ATOM 0 HB3 ASP A 66 17.466 -2.018 2.878 1.00 0.58 H new ATOM 1047 N THR A 67 19.898 0.069 2.905 1.00 0.34 N ATOM 1048 CA THR A 67 20.759 0.532 1.779 1.00 0.34 C ATOM 1049 C THR A 67 20.300 -0.120 0.467 1.00 0.33 C ATOM 1050 O THR A 67 20.540 0.397 -0.606 1.00 0.50 O ATOM 1051 CB THR A 67 22.213 0.143 2.060 1.00 0.31 C ATOM 1052 OG1 THR A 67 23.048 0.658 1.032 1.00 1.49 O ATOM 1053 CG2 THR A 67 22.339 -1.380 2.105 1.00 1.77 C ATOM 0 H THR A 67 20.393 -0.391 3.670 1.00 0.34 H new ATOM 0 HA THR A 67 20.679 1.615 1.687 1.00 0.34 H new ATOM 0 HB THR A 67 22.519 0.558 3.020 1.00 0.31 H new ATOM 0 HG1 THR A 67 23.979 0.411 1.212 1.00 1.49 H new ATOM 0 HG21 THR A 67 23.375 -1.654 2.305 1.00 1.77 H new ATOM 0 HG22 THR A 67 21.700 -1.775 2.895 1.00 1.77 H new ATOM 0 HG23 THR A 67 22.032 -1.799 1.147 1.00 1.77 H new ATOM 1061 N ARG A 68 19.648 -1.250 0.540 1.00 0.19 N ATOM 1062 CA ARG A 68 19.186 -1.927 -0.706 1.00 0.16 C ATOM 1063 C ARG A 68 18.166 -1.045 -1.434 1.00 0.41 C ATOM 1064 O ARG A 68 18.160 -0.959 -2.645 1.00 0.58 O ATOM 1065 CB ARG A 68 18.531 -3.262 -0.345 1.00 0.16 C ATOM 1066 CG ARG A 68 19.516 -4.116 0.456 1.00 0.66 C ATOM 1067 CD ARG A 68 18.776 -4.811 1.600 1.00 1.68 C ATOM 1068 NE ARG A 68 18.184 -6.088 1.104 1.00 1.37 N ATOM 1069 CZ ARG A 68 17.740 -6.999 1.941 1.00 2.26 C ATOM 1070 NH1 ARG A 68 17.801 -6.819 3.239 1.00 3.29 N ATOM 1071 NH2 ARG A 68 17.228 -8.104 1.473 1.00 2.58 N ATOM 0 H ARG A 68 19.416 -1.733 1.408 1.00 0.19 H new ATOM 0 HA ARG A 68 20.043 -2.099 -1.358 1.00 0.16 H new ATOM 0 HB2 ARG A 68 17.626 -3.089 0.238 1.00 0.16 H new ATOM 0 HB3 ARG A 68 18.231 -3.788 -1.251 1.00 0.16 H new ATOM 0 HG2 ARG A 68 19.982 -4.857 -0.193 1.00 0.66 H new ATOM 0 HG3 ARG A 68 20.316 -3.491 0.853 1.00 0.66 H new ATOM 0 HD2 ARG A 68 19.462 -5.011 2.423 1.00 1.68 H new ATOM 0 HD3 ARG A 68 17.992 -4.161 1.989 1.00 1.68 H new ATOM 0 HE ARG A 68 18.123 -6.256 0.100 1.00 1.37 H new ATOM 0 HH11 ARG A 68 18.199 -5.959 3.616 1.00 3.29 H new ATOM 0 HH12 ARG A 68 17.451 -7.539 3.871 1.00 3.29 H new ATOM 0 HH21 ARG A 68 17.175 -8.255 0.466 1.00 2.58 H new ATOM 0 HH22 ARG A 68 16.881 -8.817 2.115 1.00 2.58 H new ATOM 1085 N CYS A 69 17.299 -0.397 -0.705 1.00 0.52 N ATOM 1086 CA CYS A 69 16.276 0.471 -1.359 1.00 0.76 C ATOM 1087 C CYS A 69 16.834 1.882 -1.569 1.00 0.83 C ATOM 1088 O CYS A 69 16.367 2.621 -2.414 1.00 0.94 O ATOM 1089 CB CYS A 69 15.033 0.544 -0.472 1.00 0.94 C ATOM 1090 SG CYS A 69 13.584 0.911 -1.494 1.00 1.07 S ATOM 0 H CYS A 69 17.254 -0.430 0.313 1.00 0.52 H new ATOM 0 HA CYS A 69 16.016 0.045 -2.328 1.00 0.76 H new ATOM 0 HB2 CYS A 69 14.891 -0.401 0.053 1.00 0.94 H new ATOM 0 HB3 CYS A 69 15.160 1.315 0.288 1.00 0.94 H new ATOM 1095 N LEU A 70 17.825 2.270 -0.812 1.00 0.78 N ATOM 1096 CA LEU A 70 18.397 3.634 -0.979 1.00 0.87 C ATOM 1097 C LEU A 70 19.152 3.714 -2.308 1.00 0.83 C ATOM 1098 O LEU A 70 18.704 4.335 -3.252 1.00 0.84 O ATOM 1099 CB LEU A 70 19.361 3.927 0.174 1.00 0.94 C ATOM 1100 CG LEU A 70 18.582 3.999 1.488 1.00 1.31 C ATOM 1101 CD1 LEU A 70 19.542 4.305 2.637 1.00 1.43 C ATOM 1102 CD2 LEU A 70 17.532 5.110 1.400 1.00 1.67 C ATOM 0 H LEU A 70 18.262 1.701 -0.087 1.00 0.78 H new ATOM 0 HA LEU A 70 17.591 4.368 -0.976 1.00 0.87 H new ATOM 0 HB2 LEU A 70 20.121 3.148 0.232 1.00 0.94 H new ATOM 0 HB3 LEU A 70 19.882 4.868 -0.004 1.00 0.94 H new ATOM 0 HG LEU A 70 18.090 3.043 1.667 1.00 1.31 H new ATOM 0 HD11 LEU A 70 18.985 4.356 3.573 1.00 1.43 H new ATOM 0 HD12 LEU A 70 20.292 3.517 2.704 1.00 1.43 H new ATOM 0 HD13 LEU A 70 20.034 5.260 2.455 1.00 1.43 H new ATOM 0 HD21 LEU A 70 16.977 5.161 2.337 1.00 1.67 H new ATOM 0 HD22 LEU A 70 18.026 6.064 1.219 1.00 1.67 H new ATOM 0 HD23 LEU A 70 16.844 4.897 0.582 1.00 1.67 H new ATOM 1114 N GLY A 71 20.293 3.089 -2.390 1.00 0.81 N ATOM 1115 CA GLY A 71 21.074 3.128 -3.659 1.00 0.77 C ATOM 1116 C GLY A 71 22.567 3.222 -3.337 1.00 0.78 C ATOM 1117 O GLY A 71 23.170 2.280 -2.863 1.00 0.96 O ATOM 0 H GLY A 71 20.719 2.553 -1.634 1.00 0.81 H new ATOM 0 HA2 GLY A 71 20.874 2.234 -4.249 1.00 0.77 H new ATOM 0 HA3 GLY A 71 20.767 3.983 -4.262 1.00 0.77 H new ATOM 1121 N ALA A 72 23.169 4.352 -3.590 1.00 1.28 N ATOM 1122 CA ALA A 72 24.621 4.502 -3.297 1.00 1.45 C ATOM 1123 C ALA A 72 24.970 5.987 -3.168 1.00 2.10 C ATOM 1124 O ALA A 72 25.610 6.404 -2.224 1.00 3.33 O ATOM 1125 CB ALA A 72 25.437 3.884 -4.434 1.00 1.07 C ATOM 0 H ALA A 72 22.718 5.176 -3.986 1.00 1.28 H new ATOM 0 HA ALA A 72 24.855 3.993 -2.362 1.00 1.45 H new ATOM 0 HB1 ALA A 72 26.500 3.994 -4.220 1.00 1.07 H new ATOM 0 HB2 ALA A 72 25.192 2.826 -4.524 1.00 1.07 H new ATOM 0 HB3 ALA A 72 25.201 4.392 -5.369 1.00 1.07 H new ATOM 1131 N THR A 73 24.556 6.789 -4.111 1.00 1.42 N ATOM 1132 CA THR A 73 24.867 8.245 -4.039 1.00 2.06 C ATOM 1133 C THR A 73 23.838 8.945 -3.149 1.00 1.93 C ATOM 1134 O THR A 73 22.804 8.394 -2.826 1.00 1.41 O ATOM 1135 CB THR A 73 24.823 8.847 -5.446 1.00 2.36 C ATOM 1136 OG1 THR A 73 23.603 8.486 -6.077 1.00 1.67 O ATOM 1137 CG2 THR A 73 26.001 8.317 -6.266 1.00 2.97 C ATOM 0 H THR A 73 24.017 6.499 -4.927 1.00 1.42 H new ATOM 0 HA THR A 73 25.863 8.383 -3.617 1.00 2.06 H new ATOM 0 HB THR A 73 24.889 9.933 -5.379 1.00 2.36 H new ATOM 0 HG1 THR A 73 23.573 8.872 -6.977 1.00 1.67 H new ATOM 0 HG21 THR A 73 25.969 8.746 -7.268 1.00 2.97 H new ATOM 0 HG22 THR A 73 26.937 8.596 -5.781 1.00 2.97 H new ATOM 0 HG23 THR A 73 25.938 7.231 -6.334 1.00 2.97 H new ATOM 1145 N ALA A 74 24.114 10.156 -2.745 1.00 2.48 N ATOM 1146 CA ALA A 74 23.154 10.890 -1.871 1.00 2.51 C ATOM 1147 C ALA A 74 21.962 11.371 -2.701 1.00 2.19 C ATOM 1148 O ALA A 74 20.867 11.525 -2.198 1.00 1.93 O ATOM 1149 CB ALA A 74 23.859 12.094 -1.243 1.00 3.17 C ATOM 0 H ALA A 74 24.963 10.669 -2.983 1.00 2.48 H new ATOM 0 HA ALA A 74 22.798 10.224 -1.085 1.00 2.51 H new ATOM 0 HB1 ALA A 74 23.159 12.632 -0.604 1.00 3.17 H new ATOM 0 HB2 ALA A 74 24.705 11.750 -0.647 1.00 3.17 H new ATOM 0 HB3 ALA A 74 24.216 12.758 -2.030 1.00 3.17 H new ATOM 1155 N GLN A 75 22.162 11.614 -3.967 1.00 2.31 N ATOM 1156 CA GLN A 75 21.037 12.088 -4.822 1.00 2.15 C ATOM 1157 C GLN A 75 19.891 11.073 -4.775 1.00 1.71 C ATOM 1158 O GLN A 75 18.766 11.406 -4.459 1.00 1.68 O ATOM 1159 CB GLN A 75 21.524 12.239 -6.264 1.00 2.49 C ATOM 1160 CG GLN A 75 22.525 13.393 -6.349 1.00 3.37 C ATOM 1161 CD GLN A 75 23.115 13.455 -7.759 1.00 3.56 C ATOM 1162 OE1 GLN A 75 24.318 13.492 -7.925 1.00 4.68 O ATOM 1163 NE2 GLN A 75 22.314 13.467 -8.789 1.00 2.62 N ATOM 0 H GLN A 75 23.056 11.505 -4.447 1.00 2.31 H new ATOM 0 HA GLN A 75 20.682 13.050 -4.453 1.00 2.15 H new ATOM 0 HB2 GLN A 75 21.991 11.313 -6.600 1.00 2.49 H new ATOM 0 HB3 GLN A 75 20.679 12.428 -6.926 1.00 2.49 H new ATOM 0 HG2 GLN A 75 22.032 14.335 -6.108 1.00 3.37 H new ATOM 0 HG3 GLN A 75 23.320 13.253 -5.617 1.00 3.37 H new ATOM 0 HE21 GLN A 75 21.304 13.436 -8.650 1.00 2.62 H new ATOM 0 HE22 GLN A 75 22.698 13.507 -9.733 1.00 2.62 H new ATOM 1172 N GLN A 76 20.167 9.836 -5.090 1.00 1.39 N ATOM 1173 CA GLN A 76 19.093 8.803 -5.068 1.00 1.01 C ATOM 1174 C GLN A 76 18.425 8.781 -3.692 1.00 0.65 C ATOM 1175 O GLN A 76 17.260 8.457 -3.565 1.00 0.41 O ATOM 1176 CB GLN A 76 19.699 7.430 -5.363 1.00 0.88 C ATOM 1177 CG GLN A 76 19.102 6.876 -6.657 1.00 0.79 C ATOM 1178 CD GLN A 76 17.927 5.955 -6.323 1.00 1.18 C ATOM 1179 OE1 GLN A 76 18.087 4.981 -5.615 1.00 1.82 O ATOM 1180 NE2 GLN A 76 16.744 6.225 -6.804 1.00 2.20 N ATOM 0 H GLN A 76 21.090 9.497 -5.361 1.00 1.39 H new ATOM 0 HA GLN A 76 18.348 9.043 -5.826 1.00 1.01 H new ATOM 0 HB2 GLN A 76 20.782 7.511 -5.455 1.00 0.88 H new ATOM 0 HB3 GLN A 76 19.500 6.748 -4.537 1.00 0.88 H new ATOM 0 HG2 GLN A 76 18.767 7.694 -7.295 1.00 0.79 H new ATOM 0 HG3 GLN A 76 19.861 6.327 -7.215 1.00 0.79 H new ATOM 0 HE21 GLN A 76 16.610 7.043 -7.398 1.00 2.20 H new ATOM 0 HE22 GLN A 76 15.954 5.618 -6.585 1.00 2.20 H new ATOM 1189 N PHE A 77 19.147 9.122 -2.662 1.00 0.81 N ATOM 1190 CA PHE A 77 18.543 9.119 -1.299 1.00 0.76 C ATOM 1191 C PHE A 77 17.445 10.183 -1.226 1.00 0.66 C ATOM 1192 O PHE A 77 16.367 9.942 -0.722 1.00 0.46 O ATOM 1193 CB PHE A 77 19.619 9.429 -0.257 1.00 1.25 C ATOM 1194 CG PHE A 77 19.004 9.409 1.121 1.00 1.64 C ATOM 1195 CD1 PHE A 77 18.714 8.188 1.743 1.00 2.68 C ATOM 1196 CD2 PHE A 77 18.720 10.614 1.776 1.00 1.47 C ATOM 1197 CE1 PHE A 77 18.143 8.173 3.021 1.00 3.33 C ATOM 1198 CE2 PHE A 77 18.149 10.597 3.054 1.00 2.23 C ATOM 1199 CZ PHE A 77 17.860 9.378 3.676 1.00 3.07 C ATOM 0 H PHE A 77 20.127 9.402 -2.703 1.00 0.81 H new ATOM 0 HA PHE A 77 18.116 8.137 -1.097 1.00 0.76 H new ATOM 0 HB2 PHE A 77 20.423 8.695 -0.319 1.00 1.25 H new ATOM 0 HB3 PHE A 77 20.062 10.405 -0.455 1.00 1.25 H new ATOM 0 HD1 PHE A 77 18.931 7.259 1.237 1.00 2.68 H new ATOM 0 HD2 PHE A 77 18.941 11.556 1.295 1.00 1.47 H new ATOM 0 HE1 PHE A 77 17.921 7.232 3.502 1.00 3.33 H new ATOM 0 HE2 PHE A 77 17.931 11.526 3.560 1.00 2.23 H new ATOM 0 HZ PHE A 77 17.419 9.366 4.662 1.00 3.07 H new ATOM 1209 N HIS A 78 17.712 11.360 -1.722 1.00 0.91 N ATOM 1210 CA HIS A 78 16.684 12.438 -1.679 1.00 0.89 C ATOM 1211 C HIS A 78 15.430 11.984 -2.425 1.00 0.73 C ATOM 1212 O HIS A 78 14.320 12.173 -1.968 1.00 0.63 O ATOM 1213 CB HIS A 78 17.240 13.700 -2.341 1.00 1.18 C ATOM 1214 CG HIS A 78 16.141 14.716 -2.483 1.00 0.86 C ATOM 1215 ND1 HIS A 78 15.389 14.834 -3.641 1.00 0.63 N ATOM 1216 CD2 HIS A 78 15.652 15.666 -1.619 1.00 1.14 C ATOM 1217 CE1 HIS A 78 14.496 15.822 -3.444 1.00 0.53 C ATOM 1218 NE2 HIS A 78 14.613 16.362 -2.229 1.00 0.62 N ATOM 0 H HIS A 78 18.598 11.622 -2.155 1.00 0.91 H new ATOM 0 HA HIS A 78 16.430 12.652 -0.641 1.00 0.89 H new ATOM 0 HB2 HIS A 78 18.054 14.110 -1.742 1.00 1.18 H new ATOM 0 HB3 HIS A 78 17.655 13.458 -3.319 1.00 1.18 H new ATOM 0 HD2 HIS A 78 16.018 15.845 -0.619 1.00 1.14 H new ATOM 0 HE1 HIS A 78 13.772 16.139 -4.180 1.00 0.53 H new ATOM 0 HE2 HIS A 78 14.060 17.122 -1.833 1.00 0.62 H new ATOM 1226 N ARG A 79 15.597 11.385 -3.571 1.00 0.78 N ATOM 1227 CA ARG A 79 14.412 10.920 -4.348 1.00 0.81 C ATOM 1228 C ARG A 79 13.691 9.813 -3.572 1.00 0.60 C ATOM 1229 O ARG A 79 12.498 9.623 -3.708 1.00 0.70 O ATOM 1230 CB ARG A 79 14.875 10.377 -5.703 1.00 0.98 C ATOM 1231 CG ARG A 79 13.917 10.844 -6.803 1.00 0.61 C ATOM 1232 CD ARG A 79 14.691 11.653 -7.847 1.00 1.82 C ATOM 1233 NE ARG A 79 15.760 10.798 -8.441 1.00 2.20 N ATOM 1234 CZ ARG A 79 16.382 11.157 -9.542 1.00 2.95 C ATOM 1235 NH1 ARG A 79 16.091 12.282 -10.152 1.00 3.10 N ATOM 1236 NH2 ARG A 79 17.308 10.383 -10.036 1.00 3.94 N ATOM 0 H ARG A 79 16.501 11.197 -4.004 1.00 0.78 H new ATOM 0 HA ARG A 79 13.729 11.755 -4.504 1.00 0.81 H new ATOM 0 HB2 ARG A 79 15.886 10.723 -5.918 1.00 0.98 H new ATOM 0 HB3 ARG A 79 14.910 9.288 -5.676 1.00 0.98 H new ATOM 0 HG2 ARG A 79 13.441 9.984 -7.274 1.00 0.61 H new ATOM 0 HG3 ARG A 79 13.122 11.453 -6.373 1.00 0.61 H new ATOM 0 HD2 ARG A 79 14.015 12.004 -8.627 1.00 1.82 H new ATOM 0 HD3 ARG A 79 15.131 12.537 -7.386 1.00 1.82 H new ATOM 0 HE ARG A 79 16.012 9.921 -7.985 1.00 2.20 H new ATOM 0 HH11 ARG A 79 15.370 12.896 -9.773 1.00 3.10 H new ATOM 0 HH12 ARG A 79 16.586 12.542 -11.005 1.00 3.10 H new ATOM 0 HH21 ARG A 79 17.544 9.508 -9.569 1.00 3.94 H new ATOM 0 HH22 ARG A 79 17.796 10.653 -10.890 1.00 3.94 H new ATOM 1250 N HIS A 80 14.403 9.079 -2.760 1.00 0.37 N ATOM 1251 CA HIS A 80 13.757 7.986 -1.978 1.00 0.31 C ATOM 1252 C HIS A 80 12.962 8.582 -0.813 1.00 0.29 C ATOM 1253 O HIS A 80 11.996 8.007 -0.352 1.00 0.31 O ATOM 1254 CB HIS A 80 14.836 7.050 -1.431 1.00 0.23 C ATOM 1255 CG HIS A 80 14.231 6.122 -0.413 1.00 0.52 C ATOM 1256 ND1 HIS A 80 13.519 4.990 -0.775 1.00 0.45 N ATOM 1257 CD2 HIS A 80 14.225 6.145 0.960 1.00 1.47 C ATOM 1258 CE1 HIS A 80 13.118 4.382 0.356 1.00 0.56 C ATOM 1259 NE2 HIS A 80 13.522 5.045 1.443 1.00 1.45 N ATOM 0 H HIS A 80 15.405 9.189 -2.604 1.00 0.37 H new ATOM 0 HA HIS A 80 13.081 7.429 -2.626 1.00 0.31 H new ATOM 0 HB2 HIS A 80 15.279 6.475 -2.244 1.00 0.23 H new ATOM 0 HB3 HIS A 80 15.639 7.631 -0.977 1.00 0.23 H new ATOM 0 HD1 HIS A 80 13.333 4.675 -1.727 1.00 0.45 H new ATOM 0 HD2 HIS A 80 14.694 6.901 1.572 1.00 1.47 H new ATOM 0 HE1 HIS A 80 12.540 3.470 0.382 1.00 0.56 H new ATOM 1267 N LYS A 81 13.359 9.726 -0.329 1.00 0.31 N ATOM 1268 CA LYS A 81 12.624 10.351 0.807 1.00 0.36 C ATOM 1269 C LYS A 81 11.207 10.719 0.361 1.00 0.41 C ATOM 1270 O LYS A 81 10.281 10.730 1.148 1.00 0.52 O ATOM 1271 CB LYS A 81 13.373 11.611 1.256 1.00 0.34 C ATOM 1272 CG LYS A 81 12.611 12.864 0.815 1.00 2.25 C ATOM 1273 CD LYS A 81 13.460 14.102 1.107 1.00 2.51 C ATOM 1274 CE LYS A 81 13.041 14.702 2.450 1.00 2.87 C ATOM 1275 NZ LYS A 81 13.477 16.125 2.515 1.00 3.55 N ATOM 0 H LYS A 81 14.161 10.256 -0.671 1.00 0.31 H new ATOM 0 HA LYS A 81 12.563 9.648 1.638 1.00 0.36 H new ATOM 0 HB2 LYS A 81 13.487 11.608 2.340 1.00 0.34 H new ATOM 0 HB3 LYS A 81 14.376 11.618 0.830 1.00 0.34 H new ATOM 0 HG2 LYS A 81 12.382 12.809 -0.249 1.00 2.25 H new ATOM 0 HG3 LYS A 81 11.659 12.929 1.342 1.00 2.25 H new ATOM 0 HD2 LYS A 81 14.516 13.835 1.130 1.00 2.51 H new ATOM 0 HD3 LYS A 81 13.334 14.838 0.313 1.00 2.51 H new ATOM 0 HE2 LYS A 81 11.959 14.636 2.568 1.00 2.87 H new ATOM 0 HE3 LYS A 81 13.486 14.136 3.268 1.00 2.87 H new ATOM 0 HZ1 LYS A 81 13.193 16.534 3.428 1.00 3.55 H new ATOM 0 HZ2 LYS A 81 14.511 16.176 2.420 1.00 3.55 H new ATOM 0 HZ3 LYS A 81 13.032 16.660 1.742 1.00 3.55 H new ATOM 1289 N GLN A 82 11.035 11.029 -0.893 1.00 0.39 N ATOM 1290 CA GLN A 82 9.681 11.406 -1.390 1.00 0.51 C ATOM 1291 C GLN A 82 8.777 10.170 -1.426 1.00 0.60 C ATOM 1292 O GLN A 82 7.621 10.227 -1.061 1.00 0.61 O ATOM 1293 CB GLN A 82 9.803 11.987 -2.802 1.00 0.51 C ATOM 1294 CG GLN A 82 9.472 13.481 -2.774 1.00 0.79 C ATOM 1295 CD GLN A 82 8.083 13.707 -3.376 1.00 1.03 C ATOM 1296 OE1 GLN A 82 7.203 12.884 -3.226 1.00 1.88 O ATOM 1297 NE2 GLN A 82 7.848 14.796 -4.056 1.00 1.22 N ATOM 0 H GLN A 82 11.773 11.038 -1.597 1.00 0.39 H new ATOM 0 HA GLN A 82 9.247 12.149 -0.722 1.00 0.51 H new ATOM 0 HB2 GLN A 82 10.813 11.835 -3.182 1.00 0.51 H new ATOM 0 HB3 GLN A 82 9.126 11.467 -3.480 1.00 0.51 H new ATOM 0 HG2 GLN A 82 9.501 13.852 -1.749 1.00 0.79 H new ATOM 0 HG3 GLN A 82 10.219 14.041 -3.336 1.00 0.79 H new ATOM 0 HE21 GLN A 82 8.587 15.488 -4.182 1.00 1.22 H new ATOM 0 HE22 GLN A 82 6.926 14.955 -4.461 1.00 1.22 H new ATOM 1306 N LEU A 83 9.292 9.057 -1.871 1.00 0.69 N ATOM 1307 CA LEU A 83 8.459 7.823 -1.940 1.00 0.79 C ATOM 1308 C LEU A 83 8.026 7.401 -0.532 1.00 0.79 C ATOM 1309 O LEU A 83 6.860 7.183 -0.269 1.00 0.93 O ATOM 1310 CB LEU A 83 9.275 6.696 -2.575 1.00 0.85 C ATOM 1311 CG LEU A 83 8.530 5.372 -2.410 1.00 0.73 C ATOM 1312 CD1 LEU A 83 8.695 4.534 -3.679 1.00 0.70 C ATOM 1313 CD2 LEU A 83 9.103 4.607 -1.214 1.00 0.63 C ATOM 0 H LEU A 83 10.255 8.949 -2.190 1.00 0.69 H new ATOM 0 HA LEU A 83 7.573 8.025 -2.542 1.00 0.79 H new ATOM 0 HB2 LEU A 83 9.440 6.903 -3.632 1.00 0.85 H new ATOM 0 HB3 LEU A 83 10.257 6.634 -2.105 1.00 0.85 H new ATOM 0 HG LEU A 83 7.472 5.570 -2.239 1.00 0.73 H new ATOM 0 HD11 LEU A 83 8.164 3.589 -3.563 1.00 0.70 H new ATOM 0 HD12 LEU A 83 8.285 5.078 -4.530 1.00 0.70 H new ATOM 0 HD13 LEU A 83 9.753 4.337 -3.850 1.00 0.70 H new ATOM 0 HD21 LEU A 83 8.571 3.663 -1.097 1.00 0.63 H new ATOM 0 HD22 LEU A 83 10.161 4.409 -1.382 1.00 0.63 H new ATOM 0 HD23 LEU A 83 8.985 5.204 -0.310 1.00 0.63 H new ATOM 1325 N ILE A 84 8.958 7.275 0.370 1.00 0.73 N ATOM 1326 CA ILE A 84 8.607 6.856 1.757 1.00 0.76 C ATOM 1327 C ILE A 84 7.533 7.784 2.328 1.00 0.68 C ATOM 1328 O ILE A 84 6.638 7.353 3.027 1.00 0.71 O ATOM 1329 CB ILE A 84 9.858 6.923 2.635 1.00 0.77 C ATOM 1330 CG1 ILE A 84 10.903 5.936 2.110 1.00 0.85 C ATOM 1331 CG2 ILE A 84 9.495 6.562 4.075 1.00 0.75 C ATOM 1332 CD1 ILE A 84 10.311 4.525 2.082 1.00 0.79 C ATOM 0 H ILE A 84 9.951 7.444 0.207 1.00 0.73 H new ATOM 0 HA ILE A 84 8.222 5.836 1.739 1.00 0.76 H new ATOM 0 HB ILE A 84 10.265 7.934 2.607 1.00 0.77 H new ATOM 0 HG12 ILE A 84 11.222 6.227 1.109 1.00 0.85 H new ATOM 0 HG13 ILE A 84 11.789 5.957 2.745 1.00 0.85 H new ATOM 0 HG21 ILE A 84 10.388 6.610 4.698 1.00 0.75 H new ATOM 0 HG22 ILE A 84 8.752 7.266 4.450 1.00 0.75 H new ATOM 0 HG23 ILE A 84 9.086 5.552 4.105 1.00 0.75 H new ATOM 0 HD11 ILE A 84 11.058 3.825 1.708 1.00 0.79 H new ATOM 0 HD12 ILE A 84 10.014 4.235 3.090 1.00 0.79 H new ATOM 0 HD13 ILE A 84 9.439 4.509 1.428 1.00 0.79 H new ATOM 1344 N ARG A 85 7.613 9.055 2.044 1.00 0.58 N ATOM 1345 CA ARG A 85 6.594 10.002 2.581 1.00 0.50 C ATOM 1346 C ARG A 85 5.207 9.612 2.069 1.00 0.47 C ATOM 1347 O ARG A 85 4.262 9.493 2.827 1.00 0.39 O ATOM 1348 CB ARG A 85 6.925 11.425 2.121 1.00 0.47 C ATOM 1349 CG ARG A 85 5.708 12.327 2.333 1.00 1.91 C ATOM 1350 CD ARG A 85 6.111 13.791 2.143 1.00 2.13 C ATOM 1351 NE ARG A 85 5.889 14.533 3.419 1.00 2.00 N ATOM 1352 CZ ARG A 85 6.393 15.732 3.604 1.00 2.04 C ATOM 1353 NH1 ARG A 85 7.102 16.325 2.673 1.00 2.13 N ATOM 1354 NH2 ARG A 85 6.184 16.347 4.737 1.00 2.16 N ATOM 0 H ARG A 85 8.338 9.478 1.465 1.00 0.58 H new ATOM 0 HA ARG A 85 6.602 9.959 3.670 1.00 0.50 H new ATOM 0 HB2 ARG A 85 7.778 11.810 2.680 1.00 0.47 H new ATOM 0 HB3 ARG A 85 7.209 11.421 1.069 1.00 0.47 H new ATOM 0 HG2 ARG A 85 4.920 12.062 1.628 1.00 1.91 H new ATOM 0 HG3 ARG A 85 5.303 12.178 3.334 1.00 1.91 H new ATOM 0 HD2 ARG A 85 7.158 13.857 1.848 1.00 2.13 H new ATOM 0 HD3 ARG A 85 5.525 14.240 1.341 1.00 2.13 H new ATOM 0 HE ARG A 85 5.336 14.102 4.160 1.00 2.00 H new ATOM 0 HH11 ARG A 85 7.271 15.855 1.784 1.00 2.13 H new ATOM 0 HH12 ARG A 85 7.484 17.256 2.838 1.00 2.13 H new ATOM 0 HH21 ARG A 85 5.634 15.896 5.468 1.00 2.16 H new ATOM 0 HH22 ARG A 85 6.571 17.278 4.891 1.00 2.16 H new ATOM 1368 N PHE A 86 5.076 9.416 0.787 1.00 0.56 N ATOM 1369 CA PHE A 86 3.750 9.039 0.221 1.00 0.57 C ATOM 1370 C PHE A 86 3.235 7.778 0.917 1.00 0.57 C ATOM 1371 O PHE A 86 2.045 7.589 1.075 1.00 0.62 O ATOM 1372 CB PHE A 86 3.892 8.777 -1.280 1.00 0.66 C ATOM 1373 CG PHE A 86 3.109 9.819 -2.044 1.00 0.73 C ATOM 1374 CD1 PHE A 86 3.411 11.176 -1.887 1.00 1.03 C ATOM 1375 CD2 PHE A 86 2.078 9.426 -2.906 1.00 1.02 C ATOM 1376 CE1 PHE A 86 2.682 12.142 -2.592 1.00 1.18 C ATOM 1377 CE2 PHE A 86 1.350 10.393 -3.611 1.00 1.03 C ATOM 1378 CZ PHE A 86 1.652 11.750 -3.454 1.00 0.94 C ATOM 0 H PHE A 86 5.830 9.501 0.106 1.00 0.56 H new ATOM 0 HA PHE A 86 3.042 9.853 0.381 1.00 0.57 H new ATOM 0 HB2 PHE A 86 4.942 8.810 -1.569 1.00 0.66 H new ATOM 0 HB3 PHE A 86 3.526 7.780 -1.523 1.00 0.66 H new ATOM 0 HD1 PHE A 86 4.206 11.479 -1.222 1.00 1.03 H new ATOM 0 HD2 PHE A 86 1.844 8.379 -3.027 1.00 1.02 H new ATOM 0 HE1 PHE A 86 2.915 13.190 -2.470 1.00 1.18 H new ATOM 0 HE2 PHE A 86 0.555 10.091 -4.276 1.00 1.03 H new ATOM 0 HZ PHE A 86 1.090 12.495 -3.998 1.00 0.94 H new ATOM 1388 N LEU A 87 4.117 6.913 1.336 1.00 0.53 N ATOM 1389 CA LEU A 87 3.663 5.671 2.023 1.00 0.54 C ATOM 1390 C LEU A 87 3.041 6.051 3.367 1.00 0.62 C ATOM 1391 O LEU A 87 1.984 5.577 3.723 1.00 0.77 O ATOM 1392 CB LEU A 87 4.871 4.740 2.246 1.00 0.48 C ATOM 1393 CG LEU A 87 4.433 3.353 2.762 1.00 0.72 C ATOM 1394 CD1 LEU A 87 4.089 3.426 4.251 1.00 2.15 C ATOM 1395 CD2 LEU A 87 3.215 2.851 1.983 1.00 1.73 C ATOM 0 H LEU A 87 5.127 7.011 1.233 1.00 0.53 H new ATOM 0 HA LEU A 87 2.924 5.152 1.413 1.00 0.54 H new ATOM 0 HB2 LEU A 87 5.419 4.624 1.311 1.00 0.48 H new ATOM 0 HB3 LEU A 87 5.555 5.196 2.962 1.00 0.48 H new ATOM 0 HG LEU A 87 5.260 2.659 2.616 1.00 0.72 H new ATOM 0 HD11 LEU A 87 3.782 2.441 4.602 1.00 2.15 H new ATOM 0 HD12 LEU A 87 4.965 3.754 4.811 1.00 2.15 H new ATOM 0 HD13 LEU A 87 3.275 4.135 4.402 1.00 2.15 H new ATOM 0 HD21 LEU A 87 2.920 1.872 2.360 1.00 1.73 H new ATOM 0 HD22 LEU A 87 2.389 3.552 2.108 1.00 1.73 H new ATOM 0 HD23 LEU A 87 3.467 2.772 0.925 1.00 1.73 H new ATOM 1407 N LYS A 88 3.689 6.905 4.111 1.00 0.52 N ATOM 1408 CA LYS A 88 3.141 7.318 5.436 1.00 0.59 C ATOM 1409 C LYS A 88 1.703 7.820 5.273 1.00 0.63 C ATOM 1410 O LYS A 88 0.832 7.502 6.057 1.00 0.66 O ATOM 1411 CB LYS A 88 4.011 8.436 6.013 1.00 0.65 C ATOM 1412 CG LYS A 88 4.400 8.094 7.453 1.00 1.40 C ATOM 1413 CD LYS A 88 4.735 9.380 8.207 1.00 1.72 C ATOM 1414 CE LYS A 88 6.085 9.222 8.909 1.00 0.95 C ATOM 1415 NZ LYS A 88 7.134 9.947 8.138 1.00 0.91 N ATOM 0 H LYS A 88 4.578 7.337 3.858 1.00 0.52 H new ATOM 0 HA LYS A 88 3.144 6.462 6.111 1.00 0.59 H new ATOM 0 HB2 LYS A 88 4.906 8.564 5.405 1.00 0.65 H new ATOM 0 HB3 LYS A 88 3.470 9.382 5.987 1.00 0.65 H new ATOM 0 HG2 LYS A 88 3.581 7.572 7.948 1.00 1.40 H new ATOM 0 HG3 LYS A 88 5.258 7.421 7.460 1.00 1.40 H new ATOM 0 HD2 LYS A 88 4.769 10.222 7.515 1.00 1.72 H new ATOM 0 HD3 LYS A 88 3.956 9.599 8.938 1.00 1.72 H new ATOM 0 HE2 LYS A 88 6.027 9.615 9.924 1.00 0.95 H new ATOM 0 HE3 LYS A 88 6.343 8.166 8.991 1.00 0.95 H new ATOM 0 HZ1 LYS A 88 8.052 9.840 8.615 1.00 0.91 H new ATOM 0 HZ2 LYS A 88 7.195 9.552 7.178 1.00 0.91 H new ATOM 0 HZ3 LYS A 88 6.889 10.956 8.082 1.00 0.91 H new ATOM 1429 N ARG A 89 1.448 8.601 4.261 1.00 0.63 N ATOM 1430 CA ARG A 89 0.067 9.123 4.051 1.00 0.67 C ATOM 1431 C ARG A 89 -0.895 7.955 3.822 1.00 0.60 C ATOM 1432 O ARG A 89 -1.930 7.853 4.450 1.00 0.56 O ATOM 1433 CB ARG A 89 0.055 10.036 2.824 1.00 0.69 C ATOM 1434 CG ARG A 89 -1.302 10.735 2.718 1.00 1.15 C ATOM 1435 CD ARG A 89 -1.246 11.793 1.614 1.00 1.36 C ATOM 1436 NE ARG A 89 -0.088 12.702 1.856 1.00 1.01 N ATOM 1437 CZ ARG A 89 0.355 13.499 0.910 1.00 1.55 C ATOM 1438 NH1 ARG A 89 -0.203 13.522 -0.276 1.00 1.95 N ATOM 1439 NH2 ARG A 89 1.371 14.283 1.154 1.00 2.86 N ATOM 0 H ARG A 89 2.135 8.901 3.570 1.00 0.63 H new ATOM 0 HA ARG A 89 -0.247 9.683 4.931 1.00 0.67 H new ATOM 0 HB2 ARG A 89 0.852 10.776 2.901 1.00 0.69 H new ATOM 0 HB3 ARG A 89 0.247 9.454 1.923 1.00 0.69 H new ATOM 0 HG2 ARG A 89 -2.082 10.006 2.499 1.00 1.15 H new ATOM 0 HG3 ARG A 89 -1.559 11.200 3.670 1.00 1.15 H new ATOM 0 HD2 ARG A 89 -1.148 11.313 0.640 1.00 1.36 H new ATOM 0 HD3 ARG A 89 -2.174 12.365 1.596 1.00 1.36 H new ATOM 0 HE ARG A 89 0.366 12.705 2.769 1.00 1.01 H new ATOM 0 HH11 ARG A 89 -0.996 12.914 -0.478 1.00 1.95 H new ATOM 0 HH12 ARG A 89 0.156 14.148 -0.997 1.00 1.95 H new ATOM 0 HH21 ARG A 89 1.814 14.273 2.073 1.00 2.86 H new ATOM 0 HH22 ARG A 89 1.722 14.905 0.426 1.00 2.86 H new ATOM 1453 N LEU A 90 -0.558 7.078 2.920 1.00 0.59 N ATOM 1454 CA LEU A 90 -1.442 5.913 2.625 1.00 0.53 C ATOM 1455 C LEU A 90 -1.381 4.878 3.763 1.00 0.47 C ATOM 1456 O LEU A 90 -2.107 3.906 3.756 1.00 0.43 O ATOM 1457 CB LEU A 90 -0.968 5.260 1.323 1.00 0.61 C ATOM 1458 CG LEU A 90 -2.053 4.328 0.781 1.00 0.54 C ATOM 1459 CD1 LEU A 90 -2.837 5.040 -0.324 1.00 0.78 C ATOM 1460 CD2 LEU A 90 -1.403 3.066 0.210 1.00 0.70 C ATOM 0 H LEU A 90 0.299 7.117 2.369 1.00 0.59 H new ATOM 0 HA LEU A 90 -2.471 6.260 2.530 1.00 0.53 H new ATOM 0 HB2 LEU A 90 -0.735 6.028 0.585 1.00 0.61 H new ATOM 0 HB3 LEU A 90 -0.050 4.699 1.501 1.00 0.61 H new ATOM 0 HG LEU A 90 -2.732 4.056 1.589 1.00 0.54 H new ATOM 0 HD11 LEU A 90 -3.610 4.374 -0.709 1.00 0.78 H new ATOM 0 HD12 LEU A 90 -3.302 5.939 0.081 1.00 0.78 H new ATOM 0 HD13 LEU A 90 -2.159 5.314 -1.132 1.00 0.78 H new ATOM 0 HD21 LEU A 90 -2.176 2.402 -0.176 1.00 0.70 H new ATOM 0 HD22 LEU A 90 -0.723 3.340 -0.597 1.00 0.70 H new ATOM 0 HD23 LEU A 90 -0.846 2.556 0.996 1.00 0.70 H new ATOM 1472 N ASP A 91 -0.527 5.065 4.735 1.00 0.51 N ATOM 1473 CA ASP A 91 -0.435 4.070 5.843 1.00 0.47 C ATOM 1474 C ASP A 91 -1.548 4.312 6.864 1.00 0.36 C ATOM 1475 O ASP A 91 -2.184 3.386 7.330 1.00 0.29 O ATOM 1476 CB ASP A 91 0.924 4.204 6.534 1.00 0.57 C ATOM 1477 CG ASP A 91 0.818 3.695 7.973 1.00 0.80 C ATOM 1478 OD1 ASP A 91 0.467 4.484 8.835 1.00 1.90 O ATOM 1479 OD2 ASP A 91 1.089 2.526 8.189 1.00 0.45 O ATOM 0 H ASP A 91 0.108 5.860 4.809 1.00 0.51 H new ATOM 0 HA ASP A 91 -0.543 3.067 5.430 1.00 0.47 H new ATOM 0 HB2 ASP A 91 1.678 3.635 5.990 1.00 0.57 H new ATOM 0 HB3 ASP A 91 1.246 5.245 6.528 1.00 0.57 H new ATOM 1484 N ARG A 92 -1.784 5.540 7.228 1.00 0.42 N ATOM 1485 CA ARG A 92 -2.847 5.823 8.231 1.00 0.37 C ATOM 1486 C ARG A 92 -4.188 6.050 7.528 1.00 0.26 C ATOM 1487 O ARG A 92 -5.236 5.849 8.104 1.00 0.22 O ATOM 1488 CB ARG A 92 -2.474 7.079 9.025 1.00 0.47 C ATOM 1489 CG ARG A 92 -2.003 6.684 10.428 1.00 0.73 C ATOM 1490 CD ARG A 92 -2.972 7.247 11.469 1.00 1.16 C ATOM 1491 NE ARG A 92 -2.930 8.738 11.435 1.00 2.33 N ATOM 1492 CZ ARG A 92 -3.864 9.456 12.016 1.00 3.15 C ATOM 1493 NH1 ARG A 92 -4.849 8.889 12.669 1.00 3.12 N ATOM 1494 NH2 ARG A 92 -3.807 10.758 11.947 1.00 4.23 N ATOM 0 H ARG A 92 -1.288 6.359 6.876 1.00 0.42 H new ATOM 0 HA ARG A 92 -2.936 4.971 8.904 1.00 0.37 H new ATOM 0 HB2 ARG A 92 -1.686 7.627 8.508 1.00 0.47 H new ATOM 0 HB3 ARG A 92 -3.334 7.746 9.094 1.00 0.47 H new ATOM 0 HG2 ARG A 92 -1.951 5.599 10.514 1.00 0.73 H new ATOM 0 HG3 ARG A 92 -0.998 7.066 10.607 1.00 0.73 H new ATOM 0 HD2 ARG A 92 -3.984 6.897 11.266 1.00 1.16 H new ATOM 0 HD3 ARG A 92 -2.704 6.888 12.463 1.00 1.16 H new ATOM 0 HE ARG A 92 -2.164 9.207 10.953 1.00 2.33 H new ATOM 0 HH11 ARG A 92 -4.900 7.872 12.733 1.00 3.12 H new ATOM 0 HH12 ARG A 92 -5.564 9.465 13.113 1.00 3.12 H new ATOM 0 HH21 ARG A 92 -3.042 11.209 11.445 1.00 4.23 H new ATOM 0 HH22 ARG A 92 -4.527 11.324 12.395 1.00 4.23 H new ATOM 1508 N ASN A 93 -4.171 6.477 6.297 1.00 0.31 N ATOM 1509 CA ASN A 93 -5.457 6.725 5.585 1.00 0.33 C ATOM 1510 C ASN A 93 -6.025 5.415 5.032 1.00 0.29 C ATOM 1511 O ASN A 93 -7.213 5.167 5.105 1.00 0.36 O ATOM 1512 CB ASN A 93 -5.219 7.699 4.429 1.00 0.49 C ATOM 1513 CG ASN A 93 -6.019 8.980 4.666 1.00 1.06 C ATOM 1514 OD1 ASN A 93 -6.208 9.392 5.793 1.00 1.57 O ATOM 1515 ND2 ASN A 93 -6.501 9.631 3.643 1.00 1.79 N ATOM 0 H ASN A 93 -3.328 6.665 5.755 1.00 0.31 H new ATOM 0 HA ASN A 93 -6.171 7.150 6.290 1.00 0.33 H new ATOM 0 HB2 ASN A 93 -4.157 7.931 4.348 1.00 0.49 H new ATOM 0 HB3 ASN A 93 -5.518 7.241 3.486 1.00 0.49 H new ATOM 0 HD21 ASN A 93 -7.037 10.486 3.789 1.00 1.79 H new ATOM 0 HD22 ASN A 93 -6.342 9.284 2.697 1.00 1.79 H new ATOM 1522 N LEU A 94 -5.195 4.584 4.464 1.00 0.37 N ATOM 1523 CA LEU A 94 -5.697 3.304 3.888 1.00 0.35 C ATOM 1524 C LEU A 94 -6.523 2.524 4.919 1.00 0.35 C ATOM 1525 O LEU A 94 -7.696 2.277 4.723 1.00 0.41 O ATOM 1526 CB LEU A 94 -4.506 2.454 3.440 1.00 0.34 C ATOM 1527 CG LEU A 94 -5.008 1.210 2.711 1.00 0.34 C ATOM 1528 CD1 LEU A 94 -5.389 1.579 1.275 1.00 0.83 C ATOM 1529 CD2 LEU A 94 -3.904 0.152 2.686 1.00 0.50 C ATOM 0 H LEU A 94 -4.190 4.736 4.374 1.00 0.37 H new ATOM 0 HA LEU A 94 -6.338 3.532 3.037 1.00 0.35 H new ATOM 0 HB2 LEU A 94 -3.858 3.035 2.784 1.00 0.34 H new ATOM 0 HB3 LEU A 94 -3.908 2.165 4.304 1.00 0.34 H new ATOM 0 HG LEU A 94 -5.881 0.814 3.230 1.00 0.34 H new ATOM 0 HD11 LEU A 94 -5.747 0.691 0.754 1.00 0.83 H new ATOM 0 HD12 LEU A 94 -6.176 2.333 1.290 1.00 0.83 H new ATOM 0 HD13 LEU A 94 -4.516 1.976 0.757 1.00 0.83 H new ATOM 0 HD21 LEU A 94 -4.263 -0.736 2.166 1.00 0.50 H new ATOM 0 HD22 LEU A 94 -3.031 0.549 2.167 1.00 0.50 H new ATOM 0 HD23 LEU A 94 -3.630 -0.112 3.707 1.00 0.50 H new ATOM 1541 N TRP A 95 -5.919 2.107 5.998 1.00 0.29 N ATOM 1542 CA TRP A 95 -6.671 1.312 7.018 1.00 0.31 C ATOM 1543 C TRP A 95 -7.375 2.230 8.021 1.00 0.20 C ATOM 1544 O TRP A 95 -8.316 1.830 8.676 1.00 0.24 O ATOM 1545 CB TRP A 95 -5.695 0.388 7.741 1.00 0.37 C ATOM 1546 CG TRP A 95 -5.394 0.908 9.107 1.00 0.28 C ATOM 1547 CD1 TRP A 95 -4.734 2.053 9.369 1.00 0.89 C ATOM 1548 CD2 TRP A 95 -5.712 0.313 10.396 1.00 0.42 C ATOM 1549 NE1 TRP A 95 -4.637 2.212 10.741 1.00 0.91 N ATOM 1550 CE2 TRP A 95 -5.224 1.161 11.417 1.00 0.24 C ATOM 1551 CE3 TRP A 95 -6.374 -0.867 10.772 1.00 1.18 C ATOM 1552 CZ2 TRP A 95 -5.388 0.847 12.767 1.00 0.21 C ATOM 1553 CZ3 TRP A 95 -6.540 -1.186 12.128 1.00 1.46 C ATOM 1554 CH2 TRP A 95 -6.047 -0.332 13.124 1.00 0.95 C ATOM 0 H TRP A 95 -4.939 2.281 6.220 1.00 0.29 H new ATOM 0 HA TRP A 95 -7.438 0.722 6.516 1.00 0.31 H new ATOM 0 HB2 TRP A 95 -6.119 -0.614 7.812 1.00 0.37 H new ATOM 0 HB3 TRP A 95 -4.772 0.303 7.167 1.00 0.37 H new ATOM 0 HD1 TRP A 95 -4.344 2.736 8.629 1.00 0.89 H new ATOM 0 HE1 TRP A 95 -4.188 3.007 11.196 1.00 0.91 H new ATOM 0 HE3 TRP A 95 -6.758 -1.533 10.013 1.00 1.18 H new ATOM 0 HZ2 TRP A 95 -5.008 1.510 13.530 1.00 0.21 H new ATOM 0 HZ3 TRP A 95 -7.051 -2.096 12.406 1.00 1.46 H new ATOM 0 HH2 TRP A 95 -6.176 -0.585 14.166 1.00 0.95 H new ATOM 1565 N GLY A 96 -6.934 3.450 8.147 1.00 0.14 N ATOM 1566 CA GLY A 96 -7.596 4.382 9.109 1.00 0.24 C ATOM 1567 C GLY A 96 -9.096 4.432 8.807 1.00 0.37 C ATOM 1568 O GLY A 96 -9.911 4.624 9.688 1.00 0.46 O ATOM 0 H GLY A 96 -6.148 3.843 7.630 1.00 0.14 H new ATOM 0 HA2 GLY A 96 -7.430 4.046 10.133 1.00 0.24 H new ATOM 0 HA3 GLY A 96 -7.162 5.379 9.026 1.00 0.24 H new ATOM 1572 N LEU A 97 -9.464 4.253 7.567 1.00 0.41 N ATOM 1573 CA LEU A 97 -10.908 4.280 7.204 1.00 0.60 C ATOM 1574 C LEU A 97 -11.510 2.891 7.438 1.00 0.58 C ATOM 1575 O LEU A 97 -12.673 2.754 7.763 1.00 0.65 O ATOM 1576 CB LEU A 97 -11.056 4.657 5.728 1.00 0.79 C ATOM 1577 CG LEU A 97 -12.537 4.847 5.391 1.00 0.76 C ATOM 1578 CD1 LEU A 97 -12.709 6.102 4.533 1.00 1.17 C ATOM 1579 CD2 LEU A 97 -13.043 3.628 4.616 1.00 0.99 C ATOM 0 H LEU A 97 -8.825 4.089 6.789 1.00 0.41 H new ATOM 0 HA LEU A 97 -11.428 5.015 7.819 1.00 0.60 H new ATOM 0 HB2 LEU A 97 -10.505 5.574 5.520 1.00 0.79 H new ATOM 0 HB3 LEU A 97 -10.627 3.877 5.099 1.00 0.79 H new ATOM 0 HG LEU A 97 -13.108 4.956 6.313 1.00 0.76 H new ATOM 0 HD11 LEU A 97 -13.764 6.237 4.293 1.00 1.17 H new ATOM 0 HD12 LEU A 97 -12.348 6.971 5.083 1.00 1.17 H new ATOM 0 HD13 LEU A 97 -12.138 5.993 3.611 1.00 1.17 H new ATOM 0 HD21 LEU A 97 -14.098 3.762 4.375 1.00 0.99 H new ATOM 0 HD22 LEU A 97 -12.471 3.520 3.694 1.00 0.99 H new ATOM 0 HD23 LEU A 97 -12.921 2.733 5.226 1.00 0.99 H new ATOM 1591 N ALA A 98 -10.719 1.862 7.275 1.00 0.54 N ATOM 1592 CA ALA A 98 -11.229 0.476 7.486 1.00 0.64 C ATOM 1593 C ALA A 98 -11.891 0.378 8.861 1.00 0.70 C ATOM 1594 O ALA A 98 -13.006 -0.088 8.994 1.00 0.77 O ATOM 1595 CB ALA A 98 -10.057 -0.507 7.413 1.00 0.57 C ATOM 0 H ALA A 98 -9.738 1.923 7.004 1.00 0.54 H new ATOM 0 HA ALA A 98 -11.961 0.234 6.715 1.00 0.64 H new ATOM 0 HB1 ALA A 98 -10.423 -1.522 7.567 1.00 0.57 H new ATOM 0 HB2 ALA A 98 -9.583 -0.436 6.434 1.00 0.57 H new ATOM 0 HB3 ALA A 98 -9.329 -0.263 8.187 1.00 0.57 H new ATOM 1601 N GLY A 99 -11.214 0.816 9.885 1.00 0.73 N ATOM 1602 CA GLY A 99 -11.801 0.753 11.252 1.00 0.85 C ATOM 1603 C GLY A 99 -11.632 -0.656 11.820 1.00 0.97 C ATOM 1604 O GLY A 99 -12.564 -1.433 11.867 1.00 1.38 O ATOM 0 H GLY A 99 -10.277 1.216 9.834 1.00 0.73 H new ATOM 0 HA2 GLY A 99 -11.312 1.479 11.902 1.00 0.85 H new ATOM 0 HA3 GLY A 99 -12.858 1.017 11.217 1.00 0.85 H new ATOM 1608 N LEU A 100 -10.448 -0.991 12.253 1.00 0.80 N ATOM 1609 CA LEU A 100 -10.222 -2.353 12.818 1.00 0.90 C ATOM 1610 C LEU A 100 -9.067 -2.304 13.821 1.00 0.86 C ATOM 1611 O LEU A 100 -8.629 -1.246 14.230 1.00 1.54 O ATOM 1612 CB LEU A 100 -9.874 -3.321 11.684 1.00 0.82 C ATOM 1613 CG LEU A 100 -11.005 -4.333 11.493 1.00 1.30 C ATOM 1614 CD1 LEU A 100 -11.615 -4.158 10.101 1.00 1.93 C ATOM 1615 CD2 LEU A 100 -10.443 -5.750 11.626 1.00 1.42 C ATOM 0 H LEU A 100 -9.629 -0.383 12.241 1.00 0.80 H new ATOM 0 HA LEU A 100 -11.126 -2.693 13.323 1.00 0.90 H new ATOM 0 HB2 LEU A 100 -9.711 -2.767 10.760 1.00 0.82 H new ATOM 0 HB3 LEU A 100 -8.944 -3.842 11.912 1.00 0.82 H new ATOM 0 HG LEU A 100 -11.772 -4.170 12.250 1.00 1.30 H new ATOM 0 HD11 LEU A 100 -12.421 -4.879 9.964 1.00 1.93 H new ATOM 0 HD12 LEU A 100 -12.011 -3.147 10.002 1.00 1.93 H new ATOM 0 HD13 LEU A 100 -10.848 -4.323 9.344 1.00 1.93 H new ATOM 0 HD21 LEU A 100 -11.246 -6.474 11.490 1.00 1.42 H new ATOM 0 HD22 LEU A 100 -9.678 -5.911 10.867 1.00 1.42 H new ATOM 0 HD23 LEU A 100 -10.004 -5.876 12.616 1.00 1.42 H new ATOM 1627 N ASN A 101 -8.565 -3.442 14.220 1.00 0.55 N ATOM 1628 CA ASN A 101 -7.437 -3.462 15.194 1.00 0.39 C ATOM 1629 C ASN A 101 -6.165 -3.947 14.489 1.00 0.43 C ATOM 1630 O ASN A 101 -6.051 -3.869 13.283 1.00 0.98 O ATOM 1631 CB ASN A 101 -7.784 -4.402 16.351 1.00 0.98 C ATOM 1632 CG ASN A 101 -9.180 -4.066 16.880 1.00 1.77 C ATOM 1633 OD1 ASN A 101 -10.167 -4.285 16.206 1.00 2.60 O ATOM 1634 ND2 ASN A 101 -9.306 -3.536 18.066 1.00 2.17 N ATOM 0 H ASN A 101 -8.888 -4.359 13.913 1.00 0.55 H new ATOM 0 HA ASN A 101 -7.269 -2.459 15.585 1.00 0.39 H new ATOM 0 HB2 ASN A 101 -7.751 -5.438 16.014 1.00 0.98 H new ATOM 0 HB3 ASN A 101 -7.047 -4.302 17.148 1.00 0.98 H new ATOM 0 HD21 ASN A 101 -10.232 -3.306 18.426 1.00 2.17 H new ATOM 0 HD22 ASN A 101 -8.478 -3.352 18.633 1.00 2.17 H new ATOM 1641 N SER A 102 -5.206 -4.442 15.228 1.00 1.23 N ATOM 1642 CA SER A 102 -3.944 -4.922 14.593 1.00 1.91 C ATOM 1643 C SER A 102 -4.272 -5.916 13.475 1.00 1.65 C ATOM 1644 O SER A 102 -5.412 -6.287 13.275 1.00 1.46 O ATOM 1645 CB SER A 102 -3.072 -5.608 15.644 1.00 2.75 C ATOM 1646 OG SER A 102 -3.777 -6.715 16.190 1.00 1.36 O ATOM 0 H SER A 102 -5.243 -4.534 16.243 1.00 1.23 H new ATOM 0 HA SER A 102 -3.408 -4.071 14.173 1.00 1.91 H new ATOM 0 HB2 SER A 102 -2.137 -5.943 15.195 1.00 2.75 H new ATOM 0 HB3 SER A 102 -2.811 -4.903 16.433 1.00 2.75 H new ATOM 0 HG SER A 102 -3.219 -7.158 16.863 1.00 1.36 H new ATOM 1652 N CYS A 103 -3.284 -6.345 12.740 1.00 1.69 N ATOM 1653 CA CYS A 103 -3.542 -7.307 11.634 1.00 1.48 C ATOM 1654 C CYS A 103 -2.332 -8.230 11.473 1.00 1.59 C ATOM 1655 O CYS A 103 -1.543 -8.060 10.566 1.00 1.45 O ATOM 1656 CB CYS A 103 -3.766 -6.534 10.333 1.00 1.27 C ATOM 1657 SG CYS A 103 -5.513 -6.077 10.193 1.00 0.48 S ATOM 0 H CYS A 103 -2.309 -6.070 12.858 1.00 1.69 H new ATOM 0 HA CYS A 103 -4.427 -7.901 11.864 1.00 1.48 H new ATOM 0 HB2 CYS A 103 -3.143 -5.640 10.317 1.00 1.27 H new ATOM 0 HB3 CYS A 103 -3.469 -7.144 9.480 1.00 1.27 H new ATOM 1662 N PRO A 104 -2.226 -9.178 12.365 1.00 1.89 N ATOM 1663 CA PRO A 104 -1.119 -10.149 12.355 1.00 2.05 C ATOM 1664 C PRO A 104 -1.085 -10.900 11.022 1.00 1.78 C ATOM 1665 O PRO A 104 -1.690 -11.942 10.868 1.00 1.91 O ATOM 1666 CB PRO A 104 -1.428 -11.109 13.512 1.00 2.45 C ATOM 1667 CG PRO A 104 -2.714 -10.600 14.215 1.00 2.55 C ATOM 1668 CD PRO A 104 -3.203 -9.359 13.450 1.00 2.16 C ATOM 0 HA PRO A 104 -0.146 -9.672 12.470 1.00 2.05 H new ATOM 0 HB2 PRO A 104 -1.571 -12.123 13.140 1.00 2.45 H new ATOM 0 HB3 PRO A 104 -0.595 -11.142 14.215 1.00 2.45 H new ATOM 0 HG2 PRO A 104 -3.481 -11.375 14.218 1.00 2.55 H new ATOM 0 HG3 PRO A 104 -2.508 -10.351 15.256 1.00 2.55 H new ATOM 0 HD2 PRO A 104 -4.208 -9.508 13.056 1.00 2.16 H new ATOM 0 HD3 PRO A 104 -3.241 -8.484 14.099 1.00 2.16 H new ATOM 1676 N VAL A 105 -0.383 -10.375 10.056 1.00 1.49 N ATOM 1677 CA VAL A 105 -0.309 -11.054 8.733 1.00 1.25 C ATOM 1678 C VAL A 105 0.508 -12.341 8.862 1.00 1.38 C ATOM 1679 O VAL A 105 1.592 -12.347 9.410 1.00 1.52 O ATOM 1680 CB VAL A 105 0.354 -10.115 7.718 1.00 1.08 C ATOM 1681 CG1 VAL A 105 1.391 -10.883 6.892 1.00 2.08 C ATOM 1682 CG2 VAL A 105 -0.714 -9.543 6.784 1.00 0.69 C ATOM 0 H VAL A 105 0.143 -9.504 10.126 1.00 1.49 H new ATOM 0 HA VAL A 105 -1.314 -11.303 8.392 1.00 1.25 H new ATOM 0 HB VAL A 105 0.851 -9.305 8.252 1.00 1.08 H new ATOM 0 HG11 VAL A 105 1.857 -10.208 6.174 1.00 2.08 H new ATOM 0 HG12 VAL A 105 2.154 -11.291 7.555 1.00 2.08 H new ATOM 0 HG13 VAL A 105 0.901 -11.698 6.359 1.00 2.08 H new ATOM 0 HG21 VAL A 105 -0.245 -8.875 6.061 1.00 0.69 H new ATOM 0 HG22 VAL A 105 -1.210 -10.358 6.257 1.00 0.69 H new ATOM 0 HG23 VAL A 105 -1.449 -8.988 7.368 1.00 0.69 H new ATOM 1692 N LYS A 106 -0.002 -13.433 8.358 1.00 1.38 N ATOM 1693 CA LYS A 106 0.750 -14.716 8.449 1.00 1.49 C ATOM 1694 C LYS A 106 0.420 -15.586 7.235 1.00 1.30 C ATOM 1695 O LYS A 106 1.292 -15.967 6.483 1.00 1.91 O ATOM 1696 CB LYS A 106 0.354 -15.454 9.728 1.00 1.57 C ATOM 1697 CG LYS A 106 1.584 -15.622 10.622 1.00 2.12 C ATOM 1698 CD LYS A 106 1.157 -15.577 12.090 1.00 2.27 C ATOM 1699 CE LYS A 106 0.262 -16.779 12.399 1.00 1.81 C ATOM 1700 NZ LYS A 106 1.026 -18.037 12.167 1.00 1.91 N ATOM 0 H LYS A 106 -0.905 -13.491 7.888 1.00 1.38 H new ATOM 0 HA LYS A 106 1.820 -14.508 8.469 1.00 1.49 H new ATOM 0 HB2 LYS A 106 -0.420 -14.898 10.257 1.00 1.57 H new ATOM 0 HB3 LYS A 106 -0.066 -16.429 9.482 1.00 1.57 H new ATOM 0 HG2 LYS A 106 2.078 -16.569 10.405 1.00 2.12 H new ATOM 0 HG3 LYS A 106 2.306 -14.831 10.418 1.00 2.12 H new ATOM 0 HD2 LYS A 106 2.035 -15.589 12.736 1.00 2.27 H new ATOM 0 HD3 LYS A 106 0.622 -14.650 12.296 1.00 2.27 H new ATOM 0 HE2 LYS A 106 -0.082 -16.734 13.432 1.00 1.81 H new ATOM 0 HE3 LYS A 106 -0.626 -16.758 11.767 1.00 1.81 H new ATOM 0 HZ1 LYS A 106 0.601 -18.808 12.720 1.00 1.91 H new ATOM 0 HZ2 LYS A 106 0.998 -18.279 11.156 1.00 1.91 H new ATOM 0 HZ3 LYS A 106 2.014 -17.903 12.463 1.00 1.91 H new ATOM 1714 N GLU A 107 -0.834 -15.902 7.043 1.00 1.04 N ATOM 1715 CA GLU A 107 -1.229 -16.750 5.876 1.00 0.84 C ATOM 1716 C GLU A 107 -0.774 -16.080 4.576 1.00 0.54 C ATOM 1717 O GLU A 107 -1.479 -15.274 4.004 1.00 0.81 O ATOM 1718 CB GLU A 107 -2.753 -16.915 5.857 1.00 1.00 C ATOM 1719 CG GLU A 107 -3.425 -15.558 6.098 1.00 1.56 C ATOM 1720 CD GLU A 107 -4.791 -15.533 5.411 1.00 1.33 C ATOM 1721 OE1 GLU A 107 -5.571 -16.438 5.656 1.00 1.70 O ATOM 1722 OE2 GLU A 107 -5.034 -14.608 4.655 1.00 1.91 O ATOM 0 H GLU A 107 -1.604 -15.609 7.644 1.00 1.04 H new ATOM 0 HA GLU A 107 -0.757 -17.728 5.964 1.00 0.84 H new ATOM 0 HB2 GLU A 107 -3.072 -17.324 4.898 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -3.061 -17.625 6.625 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -3.541 -15.383 7.168 1.00 1.56 H new ATOM 0 HG3 GLU A 107 -2.797 -14.756 5.710 1.00 1.56 H new ATOM 1729 N ALA A 108 0.399 -16.402 4.105 1.00 0.66 N ATOM 1730 CA ALA A 108 0.886 -15.770 2.850 1.00 0.41 C ATOM 1731 C ALA A 108 2.227 -16.380 2.441 1.00 0.18 C ATOM 1732 O ALA A 108 3.121 -16.542 3.247 1.00 0.48 O ATOM 1733 CB ALA A 108 1.070 -14.271 3.084 1.00 1.00 C ATOM 0 H ALA A 108 1.038 -17.072 4.533 1.00 0.66 H new ATOM 0 HA ALA A 108 0.158 -15.941 2.057 1.00 0.41 H new ATOM 0 HB1 ALA A 108 1.427 -13.801 2.168 1.00 1.00 H new ATOM 0 HB2 ALA A 108 0.117 -13.828 3.371 1.00 1.00 H new ATOM 0 HB3 ALA A 108 1.798 -14.114 3.880 1.00 1.00 H new ATOM 1739 N ASP A 109 2.380 -16.697 1.185 1.00 0.26 N ATOM 1740 CA ASP A 109 3.670 -17.270 0.713 1.00 0.61 C ATOM 1741 C ASP A 109 4.600 -16.117 0.337 1.00 0.63 C ATOM 1742 O ASP A 109 4.155 -15.019 0.067 1.00 1.11 O ATOM 1743 CB ASP A 109 3.422 -18.156 -0.510 1.00 0.88 C ATOM 1744 CG ASP A 109 3.209 -19.603 -0.061 1.00 1.03 C ATOM 1745 OD1 ASP A 109 4.194 -20.266 0.224 1.00 0.82 O ATOM 1746 OD2 ASP A 109 2.065 -20.023 -0.009 1.00 2.36 O ATOM 0 H ASP A 109 1.666 -16.584 0.465 1.00 0.26 H new ATOM 0 HA ASP A 109 4.123 -17.875 1.498 1.00 0.61 H new ATOM 0 HB2 ASP A 109 2.548 -17.802 -1.057 1.00 0.88 H new ATOM 0 HB3 ASP A 109 4.270 -18.097 -1.192 1.00 0.88 H new ATOM 1751 N GLN A 110 5.885 -16.344 0.327 1.00 0.48 N ATOM 1752 CA GLN A 110 6.826 -15.242 -0.023 1.00 0.54 C ATOM 1753 C GLN A 110 6.640 -14.851 -1.488 1.00 0.53 C ATOM 1754 O GLN A 110 7.266 -15.400 -2.373 1.00 0.56 O ATOM 1755 CB GLN A 110 8.269 -15.699 0.193 1.00 0.61 C ATOM 1756 CG GLN A 110 9.076 -14.568 0.834 1.00 0.37 C ATOM 1757 CD GLN A 110 8.778 -14.512 2.333 1.00 0.80 C ATOM 1758 OE1 GLN A 110 9.061 -15.446 3.056 1.00 0.76 O ATOM 1759 NE2 GLN A 110 8.213 -13.447 2.833 1.00 1.90 N ATOM 0 H GLN A 110 6.322 -17.239 0.545 1.00 0.48 H new ATOM 0 HA GLN A 110 6.617 -14.384 0.616 1.00 0.54 H new ATOM 0 HB2 GLN A 110 8.290 -16.581 0.832 1.00 0.61 H new ATOM 0 HB3 GLN A 110 8.717 -15.985 -0.759 1.00 0.61 H new ATOM 0 HG2 GLN A 110 10.141 -14.730 0.670 1.00 0.37 H new ATOM 0 HG3 GLN A 110 8.823 -13.616 0.367 1.00 0.37 H new ATOM 0 HE21 GLN A 110 7.975 -12.663 2.226 1.00 1.90 H new ATOM 0 HE22 GLN A 110 8.009 -13.399 3.831 1.00 1.90 H new ATOM 1768 N SER A 111 5.796 -13.898 -1.750 1.00 0.49 N ATOM 1769 CA SER A 111 5.584 -13.463 -3.154 1.00 0.48 C ATOM 1770 C SER A 111 6.569 -12.342 -3.470 1.00 0.61 C ATOM 1771 O SER A 111 7.513 -12.114 -2.741 1.00 1.22 O ATOM 1772 CB SER A 111 4.152 -12.955 -3.316 1.00 0.38 C ATOM 1773 OG SER A 111 3.959 -11.820 -2.482 1.00 1.00 O ATOM 0 H SER A 111 5.243 -13.401 -1.052 1.00 0.49 H new ATOM 0 HA SER A 111 5.744 -14.298 -3.836 1.00 0.48 H new ATOM 0 HB2 SER A 111 3.963 -12.692 -4.357 1.00 0.38 H new ATOM 0 HB3 SER A 111 3.443 -13.740 -3.051 1.00 0.38 H new ATOM 0 HG SER A 111 3.103 -11.396 -2.700 1.00 1.00 H new ATOM 1779 N THR A 112 6.363 -11.640 -4.543 1.00 0.20 N ATOM 1780 CA THR A 112 7.295 -10.535 -4.890 1.00 0.22 C ATOM 1781 C THR A 112 6.564 -9.199 -4.741 1.00 0.16 C ATOM 1782 O THR A 112 5.457 -9.033 -5.214 1.00 0.13 O ATOM 1783 CB THR A 112 7.779 -10.714 -6.330 1.00 0.27 C ATOM 1784 OG1 THR A 112 6.672 -10.619 -7.216 1.00 0.18 O ATOM 1785 CG2 THR A 112 8.436 -12.089 -6.472 1.00 0.45 C ATOM 0 H THR A 112 5.592 -11.782 -5.195 1.00 0.20 H new ATOM 0 HA THR A 112 8.157 -10.549 -4.223 1.00 0.22 H new ATOM 0 HB THR A 112 8.503 -9.937 -6.575 1.00 0.27 H new ATOM 0 HG1 THR A 112 5.917 -10.200 -6.752 1.00 0.18 H new ATOM 0 HG21 THR A 112 8.783 -12.222 -7.497 1.00 0.45 H new ATOM 0 HG22 THR A 112 9.283 -12.160 -5.790 1.00 0.45 H new ATOM 0 HG23 THR A 112 7.710 -12.866 -6.231 1.00 0.45 H new ATOM 1793 N LEU A 113 7.173 -8.254 -4.073 1.00 0.28 N ATOM 1794 CA LEU A 113 6.517 -6.926 -3.874 1.00 0.31 C ATOM 1795 C LEU A 113 6.031 -6.381 -5.219 1.00 0.29 C ATOM 1796 O LEU A 113 5.091 -5.618 -5.281 1.00 0.34 O ATOM 1797 CB LEU A 113 7.523 -5.952 -3.261 1.00 0.38 C ATOM 1798 CG LEU A 113 6.804 -4.676 -2.814 1.00 0.37 C ATOM 1799 CD1 LEU A 113 5.763 -5.017 -1.747 1.00 0.58 C ATOM 1800 CD2 LEU A 113 7.823 -3.695 -2.228 1.00 1.17 C ATOM 0 H LEU A 113 8.099 -8.345 -3.655 1.00 0.28 H new ATOM 0 HA LEU A 113 5.664 -7.041 -3.205 1.00 0.31 H new ATOM 0 HB2 LEU A 113 8.021 -6.417 -2.410 1.00 0.38 H new ATOM 0 HB3 LEU A 113 8.297 -5.708 -3.989 1.00 0.38 H new ATOM 0 HG LEU A 113 6.309 -4.223 -3.673 1.00 0.37 H new ATOM 0 HD11 LEU A 113 5.254 -4.106 -1.432 1.00 0.58 H new ATOM 0 HD12 LEU A 113 5.035 -5.716 -2.159 1.00 0.58 H new ATOM 0 HD13 LEU A 113 6.257 -5.472 -0.889 1.00 0.58 H new ATOM 0 HD21 LEU A 113 7.312 -2.786 -1.910 1.00 1.17 H new ATOM 0 HD22 LEU A 113 8.317 -4.153 -1.371 1.00 1.17 H new ATOM 0 HD23 LEU A 113 8.566 -3.447 -2.986 1.00 1.17 H new ATOM 1812 N GLU A 114 6.652 -6.771 -6.296 1.00 0.26 N ATOM 1813 CA GLU A 114 6.202 -6.276 -7.625 1.00 0.25 C ATOM 1814 C GLU A 114 4.724 -6.629 -7.809 1.00 0.31 C ATOM 1815 O GLU A 114 3.898 -5.782 -8.095 1.00 0.32 O ATOM 1816 CB GLU A 114 7.031 -6.943 -8.724 1.00 0.24 C ATOM 1817 CG GLU A 114 7.276 -5.948 -9.860 1.00 0.64 C ATOM 1818 CD GLU A 114 7.498 -6.710 -11.167 1.00 1.20 C ATOM 1819 OE1 GLU A 114 8.456 -7.463 -11.237 1.00 0.91 O ATOM 1820 OE2 GLU A 114 6.705 -6.530 -12.077 1.00 2.22 O ATOM 0 H GLU A 114 7.448 -7.408 -6.314 1.00 0.26 H new ATOM 0 HA GLU A 114 6.333 -5.196 -7.684 1.00 0.25 H new ATOM 0 HB2 GLU A 114 7.982 -7.287 -8.317 1.00 0.24 H new ATOM 0 HB3 GLU A 114 6.510 -7.822 -9.103 1.00 0.24 H new ATOM 0 HG2 GLU A 114 6.424 -5.276 -9.959 1.00 0.64 H new ATOM 0 HG3 GLU A 114 8.145 -5.330 -9.635 1.00 0.64 H new ATOM 1827 N ASN A 115 4.385 -7.877 -7.637 1.00 0.40 N ATOM 1828 CA ASN A 115 2.964 -8.296 -7.793 1.00 0.51 C ATOM 1829 C ASN A 115 2.120 -7.729 -6.645 1.00 0.56 C ATOM 1830 O ASN A 115 0.919 -7.605 -6.756 1.00 0.65 O ATOM 1831 CB ASN A 115 2.874 -9.824 -7.779 1.00 0.59 C ATOM 1832 CG ASN A 115 1.617 -10.265 -8.534 1.00 1.01 C ATOM 1833 OD1 ASN A 115 0.756 -10.915 -7.976 1.00 2.15 O ATOM 1834 ND2 ASN A 115 1.476 -9.936 -9.790 1.00 1.19 N ATOM 0 H ASN A 115 5.033 -8.626 -7.394 1.00 0.40 H new ATOM 0 HA ASN A 115 2.585 -7.914 -8.741 1.00 0.51 H new ATOM 0 HB2 ASN A 115 3.761 -10.256 -8.243 1.00 0.59 H new ATOM 0 HB3 ASN A 115 2.842 -10.188 -6.752 1.00 0.59 H new ATOM 0 HD21 ASN A 115 0.643 -10.225 -10.302 1.00 1.19 H new ATOM 0 HD22 ASN A 115 2.199 -9.390 -10.258 1.00 1.19 H new ATOM 1841 N PHE A 116 2.733 -7.385 -5.543 1.00 0.56 N ATOM 1842 CA PHE A 116 1.950 -6.827 -4.404 1.00 0.68 C ATOM 1843 C PHE A 116 1.347 -5.483 -4.816 1.00 0.51 C ATOM 1844 O PHE A 116 0.145 -5.335 -4.928 1.00 0.37 O ATOM 1845 CB PHE A 116 2.874 -6.627 -3.200 1.00 0.79 C ATOM 1846 CG PHE A 116 2.047 -6.316 -1.977 1.00 0.70 C ATOM 1847 CD1 PHE A 116 1.422 -7.354 -1.276 1.00 1.18 C ATOM 1848 CD2 PHE A 116 1.906 -4.992 -1.544 1.00 0.65 C ATOM 1849 CE1 PHE A 116 0.653 -7.068 -0.143 1.00 1.42 C ATOM 1850 CE2 PHE A 116 1.136 -4.706 -0.409 1.00 0.84 C ATOM 1851 CZ PHE A 116 0.510 -5.745 0.291 1.00 1.17 C ATOM 0 H PHE A 116 3.737 -7.466 -5.384 1.00 0.56 H new ATOM 0 HA PHE A 116 1.151 -7.518 -4.135 1.00 0.68 H new ATOM 0 HB2 PHE A 116 3.469 -7.525 -3.031 1.00 0.79 H new ATOM 0 HB3 PHE A 116 3.573 -5.814 -3.396 1.00 0.79 H new ATOM 0 HD1 PHE A 116 1.533 -8.375 -1.610 1.00 1.18 H new ATOM 0 HD2 PHE A 116 2.390 -4.192 -2.084 1.00 0.65 H new ATOM 0 HE1 PHE A 116 0.169 -7.868 0.397 1.00 1.42 H new ATOM 0 HE2 PHE A 116 1.025 -3.685 -0.074 1.00 0.84 H new ATOM 0 HZ PHE A 116 -0.083 -5.525 1.166 1.00 1.17 H new ATOM 1861 N LEU A 117 2.173 -4.501 -5.048 1.00 0.54 N ATOM 1862 CA LEU A 117 1.653 -3.171 -5.460 1.00 0.40 C ATOM 1863 C LEU A 117 0.771 -3.335 -6.697 1.00 0.35 C ATOM 1864 O LEU A 117 -0.145 -2.574 -6.921 1.00 0.27 O ATOM 1865 CB LEU A 117 2.824 -2.244 -5.790 1.00 0.35 C ATOM 1866 CG LEU A 117 2.993 -1.218 -4.669 1.00 0.54 C ATOM 1867 CD1 LEU A 117 4.474 -0.870 -4.521 1.00 1.25 C ATOM 1868 CD2 LEU A 117 2.206 0.049 -5.014 1.00 1.40 C ATOM 0 H LEU A 117 3.188 -4.564 -4.969 1.00 0.54 H new ATOM 0 HA LEU A 117 1.068 -2.741 -4.647 1.00 0.40 H new ATOM 0 HB2 LEU A 117 3.739 -2.824 -5.908 1.00 0.35 H new ATOM 0 HB3 LEU A 117 2.644 -1.737 -6.738 1.00 0.35 H new ATOM 0 HG LEU A 117 2.619 -1.635 -3.734 1.00 0.54 H new ATOM 0 HD11 LEU A 117 4.598 -0.139 -3.722 1.00 1.25 H new ATOM 0 HD12 LEU A 117 5.037 -1.771 -4.278 1.00 1.25 H new ATOM 0 HD13 LEU A 117 4.845 -0.452 -5.457 1.00 1.25 H new ATOM 0 HD21 LEU A 117 2.326 0.781 -4.215 1.00 1.40 H new ATOM 0 HD22 LEU A 117 2.581 0.467 -5.948 1.00 1.40 H new ATOM 0 HD23 LEU A 117 1.150 -0.197 -5.125 1.00 1.40 H new ATOM 1880 N GLU A 118 1.042 -4.324 -7.507 1.00 0.43 N ATOM 1881 CA GLU A 118 0.213 -4.530 -8.726 1.00 0.49 C ATOM 1882 C GLU A 118 -1.251 -4.722 -8.327 1.00 0.51 C ATOM 1883 O GLU A 118 -2.103 -3.932 -8.673 1.00 0.58 O ATOM 1884 CB GLU A 118 0.710 -5.771 -9.473 1.00 0.69 C ATOM 1885 CG GLU A 118 -0.135 -5.988 -10.730 1.00 0.52 C ATOM 1886 CD GLU A 118 0.737 -5.790 -11.971 1.00 0.43 C ATOM 1887 OE1 GLU A 118 1.866 -6.252 -11.957 1.00 1.34 O ATOM 1888 OE2 GLU A 118 0.261 -5.179 -12.915 1.00 0.61 O ATOM 0 H GLU A 118 1.799 -4.995 -7.376 1.00 0.43 H new ATOM 0 HA GLU A 118 0.296 -3.657 -9.374 1.00 0.49 H new ATOM 0 HB2 GLU A 118 1.759 -5.648 -9.744 1.00 0.69 H new ATOM 0 HB3 GLU A 118 0.648 -6.646 -8.826 1.00 0.69 H new ATOM 0 HG2 GLU A 118 -0.559 -6.992 -10.727 1.00 0.52 H new ATOM 0 HG3 GLU A 118 -0.971 -5.289 -10.744 1.00 0.52 H new ATOM 1895 N ARG A 119 -1.549 -5.767 -7.605 1.00 0.49 N ATOM 1896 CA ARG A 119 -2.962 -6.017 -7.185 1.00 0.51 C ATOM 1897 C ARG A 119 -3.471 -4.866 -6.310 1.00 0.48 C ATOM 1898 O ARG A 119 -4.658 -4.714 -6.117 1.00 0.52 O ATOM 1899 CB ARG A 119 -3.041 -7.320 -6.385 1.00 0.59 C ATOM 1900 CG ARG A 119 -2.251 -8.418 -7.097 1.00 0.68 C ATOM 1901 CD ARG A 119 -3.083 -9.700 -7.139 1.00 1.27 C ATOM 1902 NE ARG A 119 -3.899 -9.725 -8.389 1.00 0.70 N ATOM 1903 CZ ARG A 119 -4.475 -10.832 -8.797 1.00 0.85 C ATOM 1904 NH1 ARG A 119 -4.365 -11.948 -8.117 1.00 1.83 N ATOM 1905 NH2 ARG A 119 -5.174 -10.822 -9.899 1.00 1.04 N ATOM 0 H ARG A 119 -0.874 -6.462 -7.286 1.00 0.49 H new ATOM 0 HA ARG A 119 -3.580 -6.091 -8.080 1.00 0.51 H new ATOM 0 HB2 ARG A 119 -2.643 -7.166 -5.382 1.00 0.59 H new ATOM 0 HB3 ARG A 119 -4.081 -7.624 -6.271 1.00 0.59 H new ATOM 0 HG2 ARG A 119 -2.000 -8.102 -8.109 1.00 0.68 H new ATOM 0 HG3 ARG A 119 -1.310 -8.599 -6.577 1.00 0.68 H new ATOM 0 HD2 ARG A 119 -2.429 -10.571 -7.102 1.00 1.27 H new ATOM 0 HD3 ARG A 119 -3.734 -9.752 -6.266 1.00 1.27 H new ATOM 0 HE ARG A 119 -4.011 -8.870 -8.934 1.00 0.70 H new ATOM 0 HH11 ARG A 119 -3.824 -11.967 -7.253 1.00 1.83 H new ATOM 0 HH12 ARG A 119 -4.821 -12.797 -8.452 1.00 1.83 H new ATOM 0 HH21 ARG A 119 -5.269 -9.959 -10.435 1.00 1.04 H new ATOM 0 HH22 ARG A 119 -5.625 -11.677 -10.224 1.00 1.04 H new ATOM 1919 N LEU A 120 -2.604 -4.055 -5.772 1.00 0.43 N ATOM 1920 CA LEU A 120 -3.092 -2.933 -4.921 1.00 0.42 C ATOM 1921 C LEU A 120 -3.726 -1.869 -5.819 1.00 0.39 C ATOM 1922 O LEU A 120 -4.770 -1.323 -5.516 1.00 0.45 O ATOM 1923 CB LEU A 120 -1.918 -2.326 -4.148 1.00 0.39 C ATOM 1924 CG LEU A 120 -2.107 -2.561 -2.646 1.00 0.44 C ATOM 1925 CD1 LEU A 120 -1.051 -3.548 -2.148 1.00 1.06 C ATOM 1926 CD2 LEU A 120 -1.952 -1.232 -1.902 1.00 1.38 C ATOM 0 H LEU A 120 -1.592 -4.118 -5.882 1.00 0.43 H new ATOM 0 HA LEU A 120 -3.832 -3.302 -4.210 1.00 0.42 H new ATOM 0 HB2 LEU A 120 -0.982 -2.774 -4.480 1.00 0.39 H new ATOM 0 HB3 LEU A 120 -1.850 -1.257 -4.352 1.00 0.39 H new ATOM 0 HG LEU A 120 -3.101 -2.969 -2.463 1.00 0.44 H new ATOM 0 HD11 LEU A 120 -1.185 -3.716 -1.079 1.00 1.06 H new ATOM 0 HD12 LEU A 120 -1.157 -4.494 -2.680 1.00 1.06 H new ATOM 0 HD13 LEU A 120 -0.057 -3.139 -2.329 1.00 1.06 H new ATOM 0 HD21 LEU A 120 -2.086 -1.396 -0.833 1.00 1.38 H new ATOM 0 HD22 LEU A 120 -0.957 -0.826 -2.085 1.00 1.38 H new ATOM 0 HD23 LEU A 120 -2.703 -0.526 -2.258 1.00 1.38 H new ATOM 1938 N LYS A 121 -3.108 -1.581 -6.931 1.00 0.30 N ATOM 1939 CA LYS A 121 -3.669 -0.564 -7.864 1.00 0.27 C ATOM 1940 C LYS A 121 -4.884 -1.154 -8.571 1.00 0.25 C ATOM 1941 O LYS A 121 -5.968 -0.619 -8.518 1.00 0.43 O ATOM 1942 CB LYS A 121 -2.613 -0.201 -8.908 1.00 0.29 C ATOM 1943 CG LYS A 121 -3.135 0.936 -9.785 1.00 0.30 C ATOM 1944 CD LYS A 121 -3.861 0.349 -10.997 1.00 1.60 C ATOM 1945 CE LYS A 121 -3.440 1.102 -12.258 1.00 0.84 C ATOM 1946 NZ LYS A 121 -4.336 2.275 -12.457 1.00 2.35 N ATOM 0 H LYS A 121 -2.233 -2.009 -7.235 1.00 0.30 H new ATOM 0 HA LYS A 121 -3.958 0.327 -7.307 1.00 0.27 H new ATOM 0 HB2 LYS A 121 -1.688 0.100 -8.416 1.00 0.29 H new ATOM 0 HB3 LYS A 121 -2.379 -1.071 -9.522 1.00 0.29 H new ATOM 0 HG2 LYS A 121 -3.813 1.570 -9.213 1.00 0.30 H new ATOM 0 HG3 LYS A 121 -2.308 1.567 -10.112 1.00 0.30 H new ATOM 0 HD2 LYS A 121 -3.625 -0.710 -11.098 1.00 1.60 H new ATOM 0 HD3 LYS A 121 -4.940 0.424 -10.859 1.00 1.60 H new ATOM 0 HE2 LYS A 121 -2.405 1.432 -12.169 1.00 0.84 H new ATOM 0 HE3 LYS A 121 -3.491 0.441 -13.123 1.00 0.84 H new ATOM 0 HZ1 LYS A 121 -4.958 2.102 -13.272 1.00 2.35 H new ATOM 0 HZ2 LYS A 121 -4.914 2.419 -11.605 1.00 2.35 H new ATOM 0 HZ3 LYS A 121 -3.762 3.124 -12.633 1.00 2.35 H new ATOM 1960 N THR A 122 -4.692 -2.252 -9.241 1.00 0.17 N ATOM 1961 CA THR A 122 -5.814 -2.910 -9.978 1.00 0.21 C ATOM 1962 C THR A 122 -7.039 -3.037 -9.074 1.00 0.21 C ATOM 1963 O THR A 122 -8.142 -2.715 -9.455 1.00 0.22 O ATOM 1964 CB THR A 122 -5.384 -4.314 -10.423 1.00 0.27 C ATOM 1965 OG1 THR A 122 -4.184 -4.692 -9.767 1.00 0.29 O ATOM 1966 CG2 THR A 122 -5.162 -4.325 -11.934 1.00 0.48 C ATOM 0 H THR A 122 -3.795 -2.732 -9.313 1.00 0.17 H new ATOM 0 HA THR A 122 -6.064 -2.300 -10.846 1.00 0.21 H new ATOM 0 HB THR A 122 -6.170 -5.023 -10.161 1.00 0.27 H new ATOM 0 HG1 THR A 122 -3.903 -5.576 -10.082 1.00 0.29 H new ATOM 0 HG21 THR A 122 -4.857 -5.323 -12.250 1.00 0.48 H new ATOM 0 HG22 THR A 122 -6.088 -4.052 -12.440 1.00 0.48 H new ATOM 0 HG23 THR A 122 -4.383 -3.608 -12.192 1.00 0.48 H new ATOM 1974 N ILE A 123 -6.848 -3.519 -7.888 1.00 0.21 N ATOM 1975 CA ILE A 123 -7.993 -3.689 -6.945 1.00 0.23 C ATOM 1976 C ILE A 123 -8.602 -2.329 -6.594 1.00 0.21 C ATOM 1977 O ILE A 123 -9.795 -2.207 -6.398 1.00 0.24 O ATOM 1978 CB ILE A 123 -7.497 -4.356 -5.661 1.00 0.24 C ATOM 1979 CG1 ILE A 123 -7.146 -5.821 -5.938 1.00 0.25 C ATOM 1980 CG2 ILE A 123 -8.590 -4.289 -4.593 1.00 0.24 C ATOM 1981 CD1 ILE A 123 -8.419 -6.604 -6.270 1.00 0.30 C ATOM 0 H ILE A 123 -5.941 -3.808 -7.520 1.00 0.21 H new ATOM 0 HA ILE A 123 -8.752 -4.308 -7.423 1.00 0.23 H new ATOM 0 HB ILE A 123 -6.608 -3.833 -5.308 1.00 0.24 H new ATOM 0 HG12 ILE A 123 -6.441 -5.885 -6.767 1.00 0.25 H new ATOM 0 HG13 ILE A 123 -6.655 -6.258 -5.068 1.00 0.25 H new ATOM 0 HG21 ILE A 123 -8.235 -4.765 -3.679 1.00 0.24 H new ATOM 0 HG22 ILE A 123 -8.835 -3.247 -4.388 1.00 0.24 H new ATOM 0 HG23 ILE A 123 -9.480 -4.808 -4.950 1.00 0.24 H new ATOM 0 HD11 ILE A 123 -8.165 -7.646 -6.466 1.00 0.30 H new ATOM 0 HD12 ILE A 123 -9.109 -6.551 -5.428 1.00 0.30 H new ATOM 0 HD13 ILE A 123 -8.891 -6.173 -7.153 1.00 0.30 H new ATOM 1993 N MET A 124 -7.795 -1.310 -6.483 1.00 0.17 N ATOM 1994 CA MET A 124 -8.338 0.030 -6.112 1.00 0.16 C ATOM 1995 C MET A 124 -9.109 0.655 -7.283 1.00 0.16 C ATOM 1996 O MET A 124 -10.305 0.813 -7.231 1.00 0.52 O ATOM 1997 CB MET A 124 -7.187 0.952 -5.702 1.00 0.19 C ATOM 1998 CG MET A 124 -6.605 0.472 -4.371 1.00 0.41 C ATOM 1999 SD MET A 124 -7.467 1.289 -3.003 1.00 0.76 S ATOM 2000 CE MET A 124 -6.196 2.523 -2.620 1.00 0.40 C ATOM 0 H MET A 124 -6.787 -1.345 -6.632 1.00 0.17 H new ATOM 0 HA MET A 124 -9.027 -0.096 -5.277 1.00 0.16 H new ATOM 0 HB2 MET A 124 -6.414 0.952 -6.471 1.00 0.19 H new ATOM 0 HB3 MET A 124 -7.543 1.978 -5.608 1.00 0.19 H new ATOM 0 HG2 MET A 124 -6.709 -0.610 -4.286 1.00 0.41 H new ATOM 0 HG3 MET A 124 -5.539 0.694 -4.327 1.00 0.41 H new ATOM 0 HE1 MET A 124 -5.898 2.426 -1.576 1.00 0.40 H new ATOM 0 HE2 MET A 124 -5.329 2.363 -3.261 1.00 0.40 H new ATOM 0 HE3 MET A 124 -6.596 3.522 -2.792 1.00 0.40 H new ATOM 2010 N ARG A 125 -8.430 1.046 -8.316 1.00 0.46 N ATOM 2011 CA ARG A 125 -9.113 1.701 -9.475 1.00 0.55 C ATOM 2012 C ARG A 125 -10.175 0.793 -10.119 1.00 0.66 C ATOM 2013 O ARG A 125 -11.055 1.267 -10.810 1.00 0.87 O ATOM 2014 CB ARG A 125 -8.062 2.045 -10.532 1.00 0.86 C ATOM 2015 CG ARG A 125 -8.702 2.898 -11.629 1.00 0.58 C ATOM 2016 CD ARG A 125 -7.633 3.764 -12.295 1.00 1.56 C ATOM 2017 NE ARG A 125 -8.274 4.657 -13.304 1.00 1.87 N ATOM 2018 CZ ARG A 125 -7.629 5.688 -13.802 1.00 2.64 C ATOM 2019 NH1 ARG A 125 -6.407 5.976 -13.421 1.00 3.27 N ATOM 2020 NH2 ARG A 125 -8.215 6.441 -14.691 1.00 3.08 N ATOM 0 H ARG A 125 -7.420 0.942 -8.416 1.00 0.46 H new ATOM 0 HA ARG A 125 -9.617 2.593 -9.103 1.00 0.55 H new ATOM 0 HB2 ARG A 125 -7.233 2.585 -10.074 1.00 0.86 H new ATOM 0 HB3 ARG A 125 -7.650 1.132 -10.961 1.00 0.86 H new ATOM 0 HG2 ARG A 125 -9.179 2.257 -12.370 1.00 0.58 H new ATOM 0 HG3 ARG A 125 -9.483 3.529 -11.204 1.00 0.58 H new ATOM 0 HD2 ARG A 125 -7.113 4.360 -11.545 1.00 1.56 H new ATOM 0 HD3 ARG A 125 -6.885 3.133 -12.775 1.00 1.56 H new ATOM 0 HE ARG A 125 -9.227 4.464 -13.612 1.00 1.87 H new ATOM 0 HH11 ARG A 125 -5.939 5.395 -12.725 1.00 3.27 H new ATOM 0 HH12 ARG A 125 -5.925 6.781 -13.821 1.00 3.27 H new ATOM 0 HH21 ARG A 125 -9.165 6.227 -14.994 1.00 3.08 H new ATOM 0 HH22 ARG A 125 -7.723 7.244 -15.084 1.00 3.08 H new ATOM 2034 N GLU A 126 -10.090 -0.495 -9.948 1.00 0.65 N ATOM 2035 CA GLU A 126 -11.088 -1.392 -10.612 1.00 0.89 C ATOM 2036 C GLU A 126 -12.307 -1.673 -9.717 1.00 0.86 C ATOM 2037 O GLU A 126 -13.435 -1.607 -10.163 1.00 0.98 O ATOM 2038 CB GLU A 126 -10.410 -2.718 -10.969 1.00 1.16 C ATOM 2039 CG GLU A 126 -11.214 -3.430 -12.059 1.00 0.99 C ATOM 2040 CD GLU A 126 -11.811 -4.720 -11.493 1.00 0.30 C ATOM 2041 OE1 GLU A 126 -12.301 -4.682 -10.376 1.00 1.57 O ATOM 2042 OE2 GLU A 126 -11.765 -5.724 -12.184 1.00 0.87 O ATOM 0 H GLU A 126 -9.383 -0.967 -9.384 1.00 0.65 H new ATOM 0 HA GLU A 126 -11.446 -0.884 -11.507 1.00 0.89 H new ATOM 0 HB2 GLU A 126 -9.392 -2.536 -11.314 1.00 1.16 H new ATOM 0 HB3 GLU A 126 -10.338 -3.351 -10.084 1.00 1.16 H new ATOM 0 HG2 GLU A 126 -12.008 -2.779 -12.424 1.00 0.99 H new ATOM 0 HG3 GLU A 126 -10.572 -3.657 -12.910 1.00 0.99 H new ATOM 2049 N LYS A 127 -12.097 -2.024 -8.478 1.00 0.82 N ATOM 2050 CA LYS A 127 -13.256 -2.352 -7.587 1.00 1.00 C ATOM 2051 C LYS A 127 -13.872 -1.089 -6.967 1.00 0.93 C ATOM 2052 O LYS A 127 -14.948 -1.134 -6.405 1.00 1.05 O ATOM 2053 CB LYS A 127 -12.775 -3.271 -6.461 1.00 1.09 C ATOM 2054 CG LYS A 127 -13.604 -4.558 -6.456 1.00 1.37 C ATOM 2055 CD LYS A 127 -12.749 -5.714 -5.931 1.00 1.84 C ATOM 2056 CE LYS A 127 -13.582 -6.579 -4.982 1.00 1.39 C ATOM 2057 NZ LYS A 127 -14.869 -6.943 -5.640 1.00 1.27 N ATOM 0 H LYS A 127 -11.178 -2.099 -8.041 1.00 0.82 H new ATOM 0 HA LYS A 127 -14.019 -2.842 -8.192 1.00 1.00 H new ATOM 0 HB2 LYS A 127 -11.720 -3.507 -6.597 1.00 1.09 H new ATOM 0 HB3 LYS A 127 -12.867 -2.764 -5.500 1.00 1.09 H new ATOM 0 HG2 LYS A 127 -14.487 -4.432 -5.830 1.00 1.37 H new ATOM 0 HG3 LYS A 127 -13.956 -4.780 -7.463 1.00 1.37 H new ATOM 0 HD2 LYS A 127 -12.384 -6.317 -6.763 1.00 1.84 H new ATOM 0 HD3 LYS A 127 -11.874 -5.325 -5.411 1.00 1.84 H new ATOM 0 HE2 LYS A 127 -13.030 -7.480 -4.716 1.00 1.39 H new ATOM 0 HE3 LYS A 127 -13.775 -6.038 -4.056 1.00 1.39 H new ATOM 0 HZ1 LYS A 127 -15.165 -7.889 -5.325 1.00 1.27 H new ATOM 0 HZ2 LYS A 127 -15.599 -6.248 -5.383 1.00 1.27 H new ATOM 0 HZ3 LYS A 127 -14.742 -6.946 -6.672 1.00 1.27 H new ATOM 2071 N TYR A 128 -13.205 0.027 -7.038 1.00 0.84 N ATOM 2072 CA TYR A 128 -13.767 1.264 -6.427 1.00 0.86 C ATOM 2073 C TYR A 128 -14.603 2.039 -7.455 1.00 0.91 C ATOM 2074 O TYR A 128 -14.954 3.182 -7.237 1.00 0.92 O ATOM 2075 CB TYR A 128 -12.623 2.147 -5.915 1.00 0.73 C ATOM 2076 CG TYR A 128 -11.987 1.508 -4.696 1.00 1.11 C ATOM 2077 CD1 TYR A 128 -11.428 0.223 -4.775 1.00 2.32 C ATOM 2078 CD2 TYR A 128 -11.966 2.200 -3.478 1.00 1.56 C ATOM 2079 CE1 TYR A 128 -10.852 -0.363 -3.646 1.00 2.90 C ATOM 2080 CE2 TYR A 128 -11.384 1.609 -2.346 1.00 2.44 C ATOM 2081 CZ TYR A 128 -10.829 0.325 -2.434 1.00 2.80 C ATOM 2082 OH TYR A 128 -10.259 -0.263 -1.326 1.00 3.69 O ATOM 0 H TYR A 128 -12.298 0.137 -7.491 1.00 0.84 H new ATOM 0 HA TYR A 128 -14.413 0.984 -5.595 1.00 0.86 H new ATOM 0 HB2 TYR A 128 -11.877 2.281 -6.698 1.00 0.73 H new ATOM 0 HB3 TYR A 128 -13.001 3.138 -5.662 1.00 0.73 H new ATOM 0 HD1 TYR A 128 -11.443 -0.314 -5.712 1.00 2.32 H new ATOM 0 HD2 TYR A 128 -12.397 3.188 -3.410 1.00 1.56 H new ATOM 0 HE1 TYR A 128 -10.423 -1.352 -3.712 1.00 2.90 H new ATOM 0 HE2 TYR A 128 -11.364 2.143 -1.408 1.00 2.44 H new ATOM 0 HH TYR A 128 -9.648 0.372 -0.896 1.00 3.69 H new