USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 628 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 30 LYS NZ :NH3+ 167:sc= -0.011 (180deg=-0.219) USER MOD Single : A 31 TYR OH : rot 180:sc= 0.162 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -3.17! USER MOD Single : A 38 GLN : amide:sc= -0.395 X(o=-0.39,f=-0.47) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.108 K(o=-0.11,f=-1.1) USER MOD Single : A 41 ASN : amide:sc= -0.0663 X(o=-0.066,f=0.25) USER MOD Single : A 42 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.7) USER MOD Single : A 43 SER OG : rot 180:sc= 0.048 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -0.0155 (180deg=-0.171) USER MOD Single : A 45 SER OG : rot -3:sc= 0.547 USER MOD Single : A 46 THR OG1 : rot -32:sc= 0.961 USER MOD Single : A 51 HIS : no HD1:sc= 0.118 K(o=0.12,f=-1.2) USER MOD Single : A 52 HIS : no HE2:sc= 0.408 K(o=0.41,f=-2.8!) USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= 1.27 (180deg=0.965) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 121:sc= 1.33 USER MOD Single : A 59 LYS NZ :NH3+ -151:sc= 1.28 (180deg=1.12) USER MOD Single : A 64 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.018) USER MOD Single : A 74 GLN : amide:sc= -0.26 K(o=-0.26,f=-4.4!) USER MOD Single : A 80 THR OG1 : rot -46:sc= 1.01 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 88 HIS : no HE2:sc=0.000702 X(o=0.0007,f=-0.057) USER MOD Single : A 89 SER OG : rot 180:sc= 0.00435 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.00514 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 100:sc= 0.44 USER MOD Single : A 97 LYS NZ :NH3+ 128:sc= 1.26 (180deg=-0.292) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 105 HIS :FLIP no HD1:sc= -1.97 F(o=-2.9!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 5.176 -9.819 -2.432 1.00 1.65 N ATOM 109 CA VAL A 29 4.928 -8.399 -2.252 1.00 1.29 C ATOM 110 C VAL A 29 4.662 -8.137 -0.777 1.00 1.04 C ATOM 111 O VAL A 29 3.932 -8.895 -0.134 1.00 1.10 O ATOM 112 CB VAL A 29 3.718 -7.932 -3.099 1.00 1.34 C ATOM 113 CG1 VAL A 29 3.477 -6.437 -2.942 1.00 1.70 C ATOM 114 CG2 VAL A 29 3.918 -8.280 -4.570 1.00 1.82 C ATOM 0 HA VAL A 29 5.802 -7.838 -2.584 1.00 1.29 H new ATOM 0 HB VAL A 29 2.838 -8.460 -2.732 1.00 1.34 H new ATOM 0 HG11 VAL A 29 2.621 -6.141 -3.549 1.00 1.70 H new ATOM 0 HG12 VAL A 29 3.276 -6.209 -1.895 1.00 1.70 H new ATOM 0 HG13 VAL A 29 4.361 -5.890 -3.269 1.00 1.70 H new ATOM 0 HG21 VAL A 29 3.055 -7.942 -5.144 1.00 1.82 H new ATOM 0 HG22 VAL A 29 4.817 -7.788 -4.941 1.00 1.82 H new ATOM 0 HG23 VAL A 29 4.025 -9.359 -4.677 1.00 1.82 H new ATOM 124 N LYS A 30 5.277 -7.089 -0.240 1.00 0.90 N ATOM 125 CA LYS A 30 5.180 -6.805 1.183 1.00 0.79 C ATOM 126 C LYS A 30 3.758 -6.441 1.593 1.00 0.63 C ATOM 127 O LYS A 30 3.051 -5.728 0.872 1.00 0.66 O ATOM 128 CB LYS A 30 6.138 -5.684 1.588 1.00 0.87 C ATOM 129 CG LYS A 30 7.594 -5.954 1.250 1.00 1.26 C ATOM 130 CD LYS A 30 8.453 -4.728 1.538 1.00 2.11 C ATOM 131 CE LYS A 30 9.895 -4.921 1.092 1.00 2.93 C ATOM 132 NZ LYS A 30 10.010 -5.118 -0.375 1.00 3.71 N ATOM 0 H LYS A 30 5.845 -6.426 -0.768 1.00 0.90 H new ATOM 0 HA LYS A 30 5.462 -7.719 1.706 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.828 -4.762 1.097 1.00 0.87 H new ATOM 0 HB3 LYS A 30 6.051 -5.518 2.662 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.956 -6.802 1.832 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.683 -6.227 0.199 1.00 1.26 H new ATOM 0 HD2 LYS A 30 8.030 -3.862 1.029 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.430 -4.513 2.606 1.00 2.11 H new ATOM 0 HE2 LYS A 30 10.483 -4.052 1.387 1.00 2.93 H new ATOM 0 HE3 LYS A 30 10.320 -5.783 1.606 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 11.006 -5.025 -0.661 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.665 -6.066 -0.626 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.440 -4.401 -0.867 1.00 3.71 H new ATOM 146 N TYR A 31 3.351 -6.923 2.760 1.00 0.56 N ATOM 147 CA TYR A 31 2.036 -6.606 3.301 1.00 0.49 C ATOM 148 C TYR A 31 2.163 -5.914 4.655 1.00 0.50 C ATOM 149 O TYR A 31 3.214 -5.965 5.295 1.00 0.64 O ATOM 150 CB TYR A 31 1.164 -7.864 3.456 1.00 0.56 C ATOM 151 CG TYR A 31 1.074 -8.711 2.209 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.599 -8.186 1.016 1.00 0.61 C ATOM 153 CD2 TYR A 31 1.445 -10.044 2.239 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.518 -8.966 -0.121 1.00 0.75 C ATOM 155 CE2 TYR A 31 1.368 -10.830 1.108 1.00 0.94 C ATOM 156 CZ TYR A 31 0.892 -10.291 -0.066 1.00 0.89 C ATOM 157 OH TYR A 31 0.808 -11.073 -1.197 1.00 1.06 O ATOM 0 H TYR A 31 3.913 -7.536 3.351 1.00 0.56 H new ATOM 0 HA TYR A 31 1.553 -5.936 2.590 1.00 0.49 H new ATOM 0 HB2 TYR A 31 1.564 -8.472 4.267 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.159 -7.562 3.750 1.00 0.56 H new ATOM 0 HD1 TYR A 31 0.288 -7.153 0.976 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.801 -10.476 3.163 1.00 0.81 H new ATOM 0 HE1 TYR A 31 0.164 -8.540 -1.048 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.680 -11.863 1.143 1.00 0.94 H new ATOM 0 HH TYR A 31 1.110 -11.982 -0.989 1.00 1.06 H new ATOM 167 N TYR A 32 1.096 -5.258 5.077 1.00 0.43 N ATOM 168 CA TYR A 32 1.015 -4.717 6.428 1.00 0.46 C ATOM 169 C TYR A 32 -0.219 -5.241 7.119 1.00 0.53 C ATOM 170 O TYR A 32 -1.255 -5.417 6.486 1.00 0.89 O ATOM 171 CB TYR A 32 0.981 -3.194 6.421 1.00 0.46 C ATOM 172 CG TYR A 32 2.325 -2.561 6.192 1.00 0.52 C ATOM 173 CD1 TYR A 32 2.774 -2.316 4.901 1.00 0.98 C ATOM 174 CD2 TYR A 32 3.144 -2.215 7.258 1.00 1.09 C ATOM 175 CE1 TYR A 32 4.010 -1.739 4.683 1.00 1.03 C ATOM 176 CE2 TYR A 32 4.378 -1.638 7.046 1.00 1.20 C ATOM 177 CZ TYR A 32 4.802 -1.385 5.778 1.00 0.81 C ATOM 178 OH TYR A 32 6.044 -0.834 5.550 1.00 0.96 O ATOM 0 H TYR A 32 0.270 -5.085 4.504 1.00 0.43 H new ATOM 0 HA TYR A 32 1.907 -5.037 6.966 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.294 -2.858 5.644 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.582 -2.844 7.373 1.00 0.46 H new ATOM 0 HD1 TYR A 32 2.151 -2.579 4.059 1.00 0.98 H new ATOM 0 HD2 TYR A 32 2.810 -2.400 8.268 1.00 1.09 H new ATOM 0 HE1 TYR A 32 4.360 -1.563 3.677 1.00 1.03 H new ATOM 0 HE2 TYR A 32 5.008 -1.387 7.886 1.00 1.20 H new ATOM 0 HH TYR A 32 6.477 -0.639 6.407 1.00 0.96 H new ATOM 188 N THR A 33 -0.127 -5.504 8.402 1.00 0.48 N ATOM 189 CA THR A 33 -1.294 -5.934 9.125 1.00 0.57 C ATOM 190 C THR A 33 -2.245 -4.753 9.326 1.00 0.56 C ATOM 191 O THR A 33 -1.814 -3.594 9.281 1.00 0.60 O ATOM 192 CB THR A 33 -0.930 -6.585 10.472 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.141 -5.694 11.259 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.166 -7.885 10.259 1.00 0.82 C ATOM 0 H THR A 33 0.727 -5.429 8.955 1.00 0.48 H new ATOM 0 HA THR A 33 -1.796 -6.698 8.531 1.00 0.57 H new ATOM 0 HB THR A 33 -1.859 -6.805 10.998 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.081 -6.121 12.113 1.00 0.77 H new ATOM 0 HG21 THR A 33 0.080 -8.325 11.225 1.00 0.82 H new ATOM 0 HG22 THR A 33 -0.783 -8.580 9.690 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.753 -7.681 9.709 1.00 0.82 H new ATOM 202 N LEU A 34 -3.529 -5.033 9.512 1.00 0.60 N ATOM 203 CA LEU A 34 -4.519 -3.978 9.699 1.00 0.64 C ATOM 204 C LEU A 34 -4.137 -3.114 10.909 1.00 0.58 C ATOM 205 O LEU A 34 -4.247 -1.883 10.894 1.00 0.59 O ATOM 206 CB LEU A 34 -5.919 -4.600 9.859 1.00 0.86 C ATOM 207 CG LEU A 34 -7.023 -3.644 10.330 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.312 -2.591 9.272 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.283 -4.425 10.662 1.00 1.46 C ATOM 0 H LEU A 34 -3.909 -5.979 9.537 1.00 0.60 H new ATOM 0 HA LEU A 34 -4.540 -3.331 8.822 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.218 -5.027 8.902 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -5.851 -5.425 10.569 1.00 0.86 H new ATOM 0 HG LEU A 34 -6.679 -3.134 11.230 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.098 -1.924 9.627 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.408 -2.014 9.076 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.638 -3.078 8.353 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.060 -3.737 10.995 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -8.626 -4.957 9.775 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.069 -5.142 11.455 1.00 1.46 H new ATOM 221 N GLU A 35 -3.636 -3.795 11.943 1.00 0.65 N ATOM 222 CA GLU A 35 -3.346 -3.181 13.239 1.00 0.77 C ATOM 223 C GLU A 35 -2.206 -2.162 13.170 1.00 0.73 C ATOM 224 O GLU A 35 -2.079 -1.303 14.042 1.00 0.88 O ATOM 225 CB GLU A 35 -3.021 -4.264 14.276 1.00 0.94 C ATOM 226 CG GLU A 35 -1.932 -5.233 13.851 1.00 1.41 C ATOM 227 CD GLU A 35 -1.643 -6.281 14.910 1.00 1.91 C ATOM 228 OE1 GLU A 35 -2.360 -7.303 14.957 1.00 2.56 O ATOM 229 OE2 GLU A 35 -0.715 -6.073 15.721 1.00 2.34 O ATOM 0 H GLU A 35 -3.420 -4.791 11.903 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.242 -2.638 13.540 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -2.718 -3.781 15.205 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -3.929 -4.828 14.491 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -2.230 -5.727 12.927 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -1.019 -4.677 13.635 1.00 1.41 H new ATOM 236 N GLU A 36 -1.367 -2.288 12.130 1.00 0.63 N ATOM 237 CA GLU A 36 -0.240 -1.373 11.913 1.00 0.74 C ATOM 238 C GLU A 36 -0.732 -0.066 11.330 1.00 0.67 C ATOM 239 O GLU A 36 -0.334 1.017 11.749 1.00 0.82 O ATOM 240 CB GLU A 36 0.800 -1.983 10.951 1.00 0.85 C ATOM 241 CG GLU A 36 1.450 -3.251 11.465 1.00 0.95 C ATOM 242 CD GLU A 36 2.438 -3.853 10.489 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.587 -3.360 10.418 1.00 1.76 O ATOM 244 OE2 GLU A 36 2.063 -4.802 9.781 1.00 1.67 O ATOM 0 H GLU A 36 -1.450 -3.019 11.424 1.00 0.63 H new ATOM 0 HA GLU A 36 0.230 -1.199 12.881 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.316 -2.196 9.998 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.576 -1.243 10.756 1.00 0.85 H new ATOM 0 HG2 GLU A 36 1.962 -3.035 12.403 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.675 -3.985 11.686 1.00 0.95 H new ATOM 251 N ILE A 37 -1.591 -0.202 10.329 1.00 0.52 N ATOM 252 CA ILE A 37 -2.061 0.915 9.530 1.00 0.50 C ATOM 253 C ILE A 37 -2.964 1.823 10.354 1.00 0.53 C ATOM 254 O ILE A 37 -3.114 3.008 10.061 1.00 0.72 O ATOM 255 CB ILE A 37 -2.822 0.389 8.300 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.982 -0.672 7.579 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.180 1.525 7.350 1.00 0.54 C ATOM 258 CD1 ILE A 37 -0.791 -0.134 6.828 1.00 0.72 C ATOM 0 H ILE A 37 -1.983 -1.101 10.048 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.200 1.496 9.200 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.752 -0.067 8.639 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -1.633 -1.399 8.313 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -2.623 -1.208 6.879 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.717 1.125 6.490 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.811 2.247 7.868 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.268 2.017 7.011 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -0.259 -0.957 6.351 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -1.128 0.569 6.067 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -0.123 0.376 7.522 1.00 0.72 H new ATOM 270 N GLN A 38 -3.560 1.239 11.387 1.00 0.48 N ATOM 271 CA GLN A 38 -4.353 1.978 12.362 1.00 0.52 C ATOM 272 C GLN A 38 -3.474 2.942 13.161 1.00 0.54 C ATOM 273 O GLN A 38 -3.909 4.019 13.547 1.00 0.64 O ATOM 274 CB GLN A 38 -5.048 0.987 13.302 1.00 0.56 C ATOM 275 CG GLN A 38 -6.460 0.606 12.861 1.00 0.78 C ATOM 276 CD GLN A 38 -7.400 1.798 12.801 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.065 2.123 13.782 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.462 2.463 11.655 1.00 0.74 N ATOM 0 H GLN A 38 -3.507 0.237 11.572 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.103 2.568 11.835 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.443 0.083 13.373 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.094 1.420 14.301 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.414 0.135 11.879 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -6.864 -0.135 13.551 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.895 2.165 10.861 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.076 3.273 11.568 1.00 0.74 H new ATOM 287 N LYS A 39 -2.226 2.530 13.394 1.00 0.54 N ATOM 288 CA LYS A 39 -1.290 3.284 14.228 1.00 0.62 C ATOM 289 C LYS A 39 -0.614 4.387 13.418 1.00 0.58 C ATOM 290 O LYS A 39 0.247 5.113 13.914 1.00 0.66 O ATOM 291 CB LYS A 39 -0.230 2.335 14.787 1.00 0.77 C ATOM 292 CG LYS A 39 0.489 2.884 16.018 1.00 1.28 C ATOM 293 CD LYS A 39 1.595 1.952 16.494 1.00 1.57 C ATOM 294 CE LYS A 39 2.748 1.893 15.497 1.00 2.08 C ATOM 295 NZ LYS A 39 3.893 1.089 16.005 1.00 2.52 N ATOM 0 H LYS A 39 -1.838 1.668 13.011 1.00 0.54 H new ATOM 0 HA LYS A 39 -1.843 3.745 15.047 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.702 1.387 15.044 1.00 0.77 H new ATOM 0 HB3 LYS A 39 0.505 2.125 14.010 1.00 0.77 H new ATOM 0 HG2 LYS A 39 0.913 3.861 15.785 1.00 1.28 H new ATOM 0 HG3 LYS A 39 -0.231 3.033 16.822 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.966 2.291 17.461 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.190 0.951 16.642 1.00 1.57 H new ATOM 0 HE2 LYS A 39 2.393 1.464 14.560 1.00 2.08 H new ATOM 0 HE3 LYS A 39 3.087 2.905 15.277 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 4.652 1.078 15.294 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 4.250 1.511 16.886 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 3.578 0.115 16.191 1.00 2.52 H new ATOM 309 N HIS A 40 -0.983 4.476 12.151 1.00 0.53 N ATOM 310 CA HIS A 40 -0.393 5.438 11.232 1.00 0.56 C ATOM 311 C HIS A 40 -1.477 6.355 10.682 1.00 0.65 C ATOM 312 O HIS A 40 -1.492 6.710 9.504 1.00 0.93 O ATOM 313 CB HIS A 40 0.322 4.684 10.110 1.00 0.56 C ATOM 314 CG HIS A 40 1.502 3.901 10.594 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.681 2.556 10.346 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.576 4.288 11.316 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.812 2.156 10.899 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.372 3.186 11.491 1.00 1.80 N ATOM 0 H HIS A 40 -1.699 3.884 11.730 1.00 0.53 H new ATOM 0 HA HIS A 40 0.337 6.058 11.753 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.383 4.008 9.627 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.651 5.396 9.353 1.00 0.56 H new ATOM 0 HD1 HIS A 40 1.040 1.963 9.818 1.00 1.08 H new ATOM 0 HD2 HIS A 40 2.772 5.283 11.687 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.209 1.152 10.869 1.00 1.59 H new ATOM 327 N ASN A 41 -2.393 6.700 11.583 1.00 0.56 N ATOM 328 CA ASN A 41 -3.612 7.442 11.254 1.00 0.64 C ATOM 329 C ASN A 41 -3.478 8.916 11.617 1.00 0.82 C ATOM 330 O ASN A 41 -4.455 9.662 11.600 1.00 1.20 O ATOM 331 CB ASN A 41 -4.784 6.853 12.056 1.00 0.69 C ATOM 332 CG ASN A 41 -4.774 7.282 13.520 1.00 1.20 C ATOM 333 OD1 ASN A 41 -4.048 6.722 14.342 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.589 8.271 13.861 1.00 1.74 N ATOM 0 H ASN A 41 -2.311 6.471 12.574 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.784 7.358 10.181 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.723 7.162 11.598 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.746 5.765 12.001 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.627 8.589 14.829 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.177 8.713 13.155 1.00 1.74 H new ATOM 341 N HIS A 42 -2.266 9.321 11.957 1.00 0.73 N ATOM 342 CA HIS A 42 -2.051 10.607 12.610 1.00 0.97 C ATOM 343 C HIS A 42 -0.987 11.432 11.891 1.00 1.06 C ATOM 344 O HIS A 42 -0.406 10.984 10.907 1.00 1.54 O ATOM 345 CB HIS A 42 -1.643 10.388 14.079 1.00 1.05 C ATOM 346 CG HIS A 42 -0.439 9.500 14.252 1.00 0.90 C ATOM 347 ND1 HIS A 42 0.846 9.887 13.928 1.00 0.81 N ATOM 348 CD2 HIS A 42 -0.339 8.225 14.697 1.00 1.14 C ATOM 349 CE1 HIS A 42 1.680 8.890 14.166 1.00 0.87 C ATOM 350 NE2 HIS A 42 0.987 7.870 14.640 1.00 1.08 N ATOM 0 H HIS A 42 -1.416 8.781 11.793 1.00 0.73 H new ATOM 0 HA HIS A 42 -2.988 11.163 12.570 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -1.437 11.356 14.537 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -2.484 9.952 14.618 1.00 1.05 H new ATOM 0 HD2 HIS A 42 -1.153 7.601 15.035 1.00 1.14 H new ATOM 0 HE1 HIS A 42 2.747 8.906 14.001 1.00 0.87 H new ATOM 0 HE2 HIS A 42 1.373 6.968 14.918 1.00 1.08 H new ATOM 359 N SER A 43 -0.718 12.623 12.434 1.00 1.01 N ATOM 360 CA SER A 43 0.236 13.587 11.862 1.00 1.12 C ATOM 361 C SER A 43 1.583 12.948 11.519 1.00 0.97 C ATOM 362 O SER A 43 1.968 12.851 10.357 1.00 1.05 O ATOM 363 CB SER A 43 0.457 14.728 12.865 1.00 1.34 C ATOM 364 OG SER A 43 -0.760 15.115 13.480 1.00 2.00 O ATOM 0 H SER A 43 -1.160 12.952 13.293 1.00 1.01 H new ATOM 0 HA SER A 43 -0.192 13.962 10.932 1.00 1.12 H new ATOM 0 HB2 SER A 43 1.168 14.412 13.628 1.00 1.34 H new ATOM 0 HB3 SER A 43 0.897 15.584 12.354 1.00 1.34 H new ATOM 0 HG SER A 43 -0.589 15.842 14.115 1.00 2.00 H new ATOM 370 N LYS A 44 2.297 12.536 12.573 1.00 0.89 N ATOM 371 CA LYS A 44 3.697 12.096 12.475 1.00 0.89 C ATOM 372 C LYS A 44 3.917 10.986 11.453 1.00 0.77 C ATOM 373 O LYS A 44 5.048 10.772 11.021 1.00 0.94 O ATOM 374 CB LYS A 44 4.209 11.646 13.847 1.00 1.01 C ATOM 375 CG LYS A 44 4.293 12.778 14.863 1.00 1.53 C ATOM 376 CD LYS A 44 4.921 12.325 16.172 1.00 2.16 C ATOM 377 CE LYS A 44 6.370 11.895 15.984 1.00 2.63 C ATOM 378 NZ LYS A 44 7.233 13.020 15.531 1.00 3.26 N ATOM 0 H LYS A 44 1.921 12.498 13.520 1.00 0.89 H new ATOM 0 HA LYS A 44 4.263 12.960 12.126 1.00 0.89 H new ATOM 0 HB2 LYS A 44 3.551 10.868 14.235 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.196 11.199 13.729 1.00 1.01 H new ATOM 0 HG2 LYS A 44 4.878 13.597 14.445 1.00 1.53 H new ATOM 0 HG3 LYS A 44 3.293 13.166 15.056 1.00 1.53 H new ATOM 0 HD2 LYS A 44 4.874 13.137 16.898 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.346 11.495 16.583 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.755 11.499 16.924 1.00 2.63 H new ATOM 0 HE3 LYS A 44 6.416 11.087 15.254 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.233 12.744 15.610 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 7.014 13.248 14.540 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 7.056 13.855 16.126 1.00 3.26 H new ATOM 392 N SER A 45 2.852 10.277 11.098 1.00 0.63 N ATOM 393 CA SER A 45 2.900 9.257 10.063 1.00 0.62 C ATOM 394 C SER A 45 1.510 9.064 9.489 1.00 0.65 C ATOM 395 O SER A 45 0.647 8.485 10.154 1.00 1.05 O ATOM 396 CB SER A 45 3.414 7.927 10.607 1.00 0.65 C ATOM 397 OG SER A 45 4.706 8.064 11.168 1.00 1.31 O ATOM 0 H SER A 45 1.931 10.395 11.521 1.00 0.63 H new ATOM 0 HA SER A 45 3.589 9.591 9.287 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.725 7.551 11.363 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.440 7.190 9.805 1.00 0.65 H new ATOM 0 HG SER A 45 5.020 8.984 11.045 1.00 1.31 H new ATOM 403 N THR A 46 1.285 9.532 8.275 1.00 0.43 N ATOM 404 CA THR A 46 -0.043 9.474 7.692 1.00 0.42 C ATOM 405 C THR A 46 -0.105 8.476 6.538 1.00 0.39 C ATOM 406 O THR A 46 0.486 8.690 5.475 1.00 0.47 O ATOM 407 CB THR A 46 -0.485 10.869 7.201 1.00 0.51 C ATOM 408 OG1 THR A 46 -0.216 11.836 8.222 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.972 10.903 6.864 1.00 0.64 C ATOM 0 H THR A 46 1.997 9.953 7.678 1.00 0.43 H new ATOM 0 HA THR A 46 -0.726 9.137 8.472 1.00 0.42 H new ATOM 0 HB THR A 46 0.075 11.099 6.295 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.316 11.418 9.103 1.00 0.77 H new ATOM 0 HG21 THR A 46 -2.245 11.901 6.522 1.00 0.64 H new ATOM 0 HG22 THR A 46 -2.183 10.180 6.077 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.552 10.652 7.752 1.00 0.64 H new ATOM 417 N TRP A 47 -0.801 7.371 6.758 1.00 0.37 N ATOM 418 CA TRP A 47 -1.065 6.420 5.692 1.00 0.36 C ATOM 419 C TRP A 47 -2.554 6.356 5.423 1.00 0.37 C ATOM 420 O TRP A 47 -3.357 6.871 6.199 1.00 0.50 O ATOM 421 CB TRP A 47 -0.574 5.014 6.037 1.00 0.37 C ATOM 422 CG TRP A 47 0.908 4.868 6.237 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.881 5.808 6.044 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.578 3.674 6.645 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.113 5.273 6.336 1.00 0.40 N ATOM 426 CE2 TRP A 47 2.951 3.960 6.711 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.138 2.393 6.980 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.890 2.991 7.080 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.057 1.442 7.349 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.416 1.737 7.407 1.00 0.47 C ATOM 0 H TRP A 47 -1.192 7.112 7.664 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.524 6.766 4.811 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -1.078 4.687 6.946 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.882 4.337 5.241 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.708 6.821 5.711 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.003 5.769 6.283 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.086 2.152 6.949 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 4.946 3.216 7.108 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.719 0.447 7.599 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.112 0.970 7.714 1.00 0.47 H new ATOM 441 N LEU A 48 -2.925 5.699 4.344 1.00 0.31 N ATOM 442 CA LEU A 48 -4.328 5.459 4.072 1.00 0.31 C ATOM 443 C LEU A 48 -4.504 4.200 3.243 1.00 0.28 C ATOM 444 O LEU A 48 -3.523 3.593 2.797 1.00 0.29 O ATOM 445 CB LEU A 48 -4.993 6.648 3.361 1.00 0.37 C ATOM 446 CG LEU A 48 -4.750 6.743 1.851 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.683 7.769 1.232 1.00 0.60 C ATOM 448 CD2 LEU A 48 -3.306 7.105 1.555 1.00 0.55 C ATOM 0 H LEU A 48 -2.282 5.324 3.646 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.820 5.330 5.036 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -6.068 6.596 3.534 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.640 7.569 3.825 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.955 5.766 1.412 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -5.500 7.827 0.159 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.717 7.473 1.408 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.502 8.744 1.684 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -3.160 7.166 0.477 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.072 8.068 2.008 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.647 6.341 1.968 1.00 0.55 H new ATOM 460 N ILE A 49 -5.746 3.811 3.047 1.00 0.34 N ATOM 461 CA ILE A 49 -6.075 2.707 2.173 1.00 0.36 C ATOM 462 C ILE A 49 -7.168 3.144 1.191 1.00 0.42 C ATOM 463 O ILE A 49 -8.314 3.381 1.575 1.00 0.65 O ATOM 464 CB ILE A 49 -6.536 1.472 2.981 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.429 1.006 3.936 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.937 0.337 2.050 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.827 -0.182 4.783 1.00 0.46 C ATOM 0 H ILE A 49 -6.554 4.251 3.488 1.00 0.34 H new ATOM 0 HA ILE A 49 -5.181 2.422 1.618 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.406 1.761 3.570 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.543 0.748 3.355 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.152 1.833 4.590 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -7.258 -0.521 2.640 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.756 0.664 1.410 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -6.084 0.055 1.432 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -4.998 -0.458 5.434 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.694 0.078 5.390 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.076 -1.023 4.136 1.00 0.46 H new ATOM 479 N LEU A 50 -6.797 3.281 -0.077 1.00 0.41 N ATOM 480 CA LEU A 50 -7.733 3.752 -1.104 1.00 0.53 C ATOM 481 C LEU A 50 -8.611 2.617 -1.603 1.00 0.78 C ATOM 482 O LEU A 50 -9.741 2.831 -2.028 1.00 1.77 O ATOM 483 CB LEU A 50 -6.981 4.403 -2.273 1.00 0.49 C ATOM 484 CG LEU A 50 -6.592 5.871 -2.056 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.964 6.464 -3.308 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.809 6.683 -1.650 1.00 0.99 C ATOM 0 H LEU A 50 -5.860 3.075 -0.422 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.376 4.505 -0.648 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -6.076 3.828 -2.468 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.601 4.335 -3.167 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.854 5.908 -1.255 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.699 7.505 -3.124 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -5.067 5.901 -3.567 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.676 6.411 -4.132 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.519 7.723 -1.499 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.563 6.627 -2.436 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.221 6.283 -0.723 1.00 0.99 H new ATOM 498 N HIS A 51 -8.077 1.414 -1.561 1.00 0.67 N ATOM 499 CA HIS A 51 -8.797 0.230 -2.034 1.00 0.73 C ATOM 500 C HIS A 51 -8.346 -0.993 -1.250 1.00 0.82 C ATOM 501 O HIS A 51 -9.046 -1.459 -0.366 1.00 1.80 O ATOM 502 CB HIS A 51 -8.580 -0.017 -3.540 1.00 0.79 C ATOM 503 CG HIS A 51 -9.141 1.039 -4.450 1.00 1.23 C ATOM 504 ND1 HIS A 51 -10.476 1.132 -4.791 1.00 1.87 N ATOM 505 CD2 HIS A 51 -8.524 2.057 -5.091 1.00 1.56 C ATOM 506 CE1 HIS A 51 -10.647 2.163 -5.604 1.00 2.45 C ATOM 507 NE2 HIS A 51 -9.477 2.738 -5.800 1.00 2.30 N ATOM 0 H HIS A 51 -7.142 1.221 -1.203 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.861 0.408 -1.875 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.510 -0.103 -3.727 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.028 -0.975 -3.803 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -7.470 2.291 -5.051 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -11.586 2.479 -6.034 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -9.309 3.557 -6.385 1.00 2.30 H new ATOM 516 N HIS A 52 -7.165 -1.504 -1.582 1.00 0.46 N ATOM 517 CA HIS A 52 -6.589 -2.656 -0.887 1.00 0.42 C ATOM 518 C HIS A 52 -5.078 -2.523 -0.843 1.00 0.43 C ATOM 519 O HIS A 52 -4.352 -3.490 -0.636 1.00 0.81 O ATOM 520 CB HIS A 52 -6.978 -3.959 -1.573 1.00 0.58 C ATOM 521 CG HIS A 52 -8.367 -4.396 -1.227 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.667 -5.168 -0.130 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.538 -4.143 -1.836 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.966 -5.368 -0.081 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.527 -4.753 -1.106 1.00 2.36 N ATOM 0 H HIS A 52 -6.582 -1.137 -2.334 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.982 -2.678 0.129 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.898 -3.835 -2.653 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.273 -4.740 -1.288 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -7.989 -5.529 0.541 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -9.676 -3.564 -2.737 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.487 -5.940 0.672 1.00 2.34 H new ATOM 534 N LYS A 53 -4.617 -1.305 -1.085 1.00 0.33 N ATOM 535 CA LYS A 53 -3.200 -0.995 -1.067 1.00 0.36 C ATOM 536 C LYS A 53 -2.955 0.188 -0.145 1.00 0.29 C ATOM 537 O LYS A 53 -3.760 1.124 -0.117 1.00 0.32 O ATOM 538 CB LYS A 53 -2.687 -0.670 -2.476 1.00 0.45 C ATOM 539 CG LYS A 53 -2.808 -1.820 -3.469 1.00 0.66 C ATOM 540 CD LYS A 53 -2.560 -1.346 -4.893 1.00 0.95 C ATOM 541 CE LYS A 53 -2.735 -2.465 -5.908 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.726 -3.546 -5.737 1.00 1.76 N ATOM 0 H LYS A 53 -5.215 -0.507 -1.299 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.659 -1.868 -0.703 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.239 0.187 -2.862 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.641 -0.372 -2.409 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.092 -2.601 -3.213 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.802 -2.262 -3.398 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -3.247 -0.533 -5.129 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.550 -0.943 -4.970 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.736 -2.887 -5.812 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.657 -2.055 -6.915 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -1.581 -4.032 -6.645 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.826 -3.134 -5.417 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -2.065 -4.228 -5.029 1.00 1.76 H new ATOM 556 N VAL A 54 -1.856 0.155 0.579 1.00 0.27 N ATOM 557 CA VAL A 54 -1.544 1.210 1.524 1.00 0.25 C ATOM 558 C VAL A 54 -0.626 2.244 0.871 1.00 0.23 C ATOM 559 O VAL A 54 0.233 1.897 0.050 1.00 0.25 O ATOM 560 CB VAL A 54 -0.878 0.642 2.800 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.484 0.029 2.506 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.767 1.713 3.871 1.00 0.32 C ATOM 0 H VAL A 54 -1.162 -0.591 0.532 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.479 1.689 1.815 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.519 -0.157 3.173 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.916 -0.357 3.429 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.370 -0.785 1.790 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.143 0.790 2.088 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.296 1.292 4.759 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.163 2.540 3.497 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.762 2.077 4.126 1.00 0.32 H new ATOM 572 N TYR A 55 -0.823 3.506 1.208 1.00 0.23 N ATOM 573 CA TYR A 55 0.015 4.578 0.670 1.00 0.25 C ATOM 574 C TYR A 55 0.682 5.344 1.805 1.00 0.27 C ATOM 575 O TYR A 55 0.362 5.120 2.972 1.00 0.35 O ATOM 576 CB TYR A 55 -0.802 5.561 -0.180 1.00 0.27 C ATOM 577 CG TYR A 55 -1.512 4.961 -1.376 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.635 4.147 -1.225 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.053 5.211 -2.663 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.288 3.623 -2.329 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.703 4.695 -3.764 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.806 3.888 -3.595 1.00 0.42 C ATOM 583 OH TYR A 55 -3.446 3.370 -4.700 1.00 0.49 O ATOM 0 H TYR A 55 -1.552 3.819 1.849 1.00 0.23 H new ATOM 0 HA TYR A 55 0.770 4.113 0.037 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.545 6.036 0.460 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.136 6.348 -0.533 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -3.000 3.922 -0.234 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.172 5.820 -2.804 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -4.169 3.011 -2.200 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.348 4.923 -4.758 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.977 3.654 -5.512 1.00 0.49 H new ATOM 593 N ASP A 56 1.585 6.251 1.458 1.00 0.34 N ATOM 594 CA ASP A 56 2.181 7.154 2.441 1.00 0.38 C ATOM 595 C ASP A 56 2.054 8.599 1.970 1.00 0.38 C ATOM 596 O ASP A 56 2.233 8.871 0.783 1.00 0.48 O ATOM 597 CB ASP A 56 3.656 6.806 2.708 1.00 0.47 C ATOM 598 CG ASP A 56 4.350 7.791 3.634 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.889 8.799 3.142 1.00 0.94 O ATOM 600 OD2 ASP A 56 4.335 7.577 4.868 1.00 1.32 O ATOM 0 H ASP A 56 1.923 6.383 0.505 1.00 0.34 H new ATOM 0 HA ASP A 56 1.638 7.034 3.379 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.713 5.808 3.142 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.191 6.772 1.759 1.00 0.47 H new ATOM 605 N LEU A 57 1.724 9.525 2.871 1.00 0.37 N ATOM 606 CA LEU A 57 1.737 10.947 2.519 1.00 0.39 C ATOM 607 C LEU A 57 2.617 11.739 3.470 1.00 0.51 C ATOM 608 O LEU A 57 2.593 12.959 3.489 1.00 1.12 O ATOM 609 CB LEU A 57 0.345 11.601 2.530 1.00 0.45 C ATOM 610 CG LEU A 57 -0.768 10.929 1.720 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.308 10.645 0.302 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.269 9.669 2.412 1.00 1.27 C ATOM 0 H LEU A 57 1.449 9.323 3.832 1.00 0.37 H new ATOM 0 HA LEU A 57 2.127 10.975 1.501 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.013 11.664 3.566 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.453 12.623 2.167 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.609 11.620 1.661 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.115 10.168 -0.254 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -0.035 11.581 -0.186 1.00 1.35 H new ATOM 0 HD13 LEU A 57 0.557 9.982 0.326 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -2.058 9.214 1.813 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.446 8.963 2.523 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.662 9.926 3.396 1.00 1.27 H new ATOM 624 N THR A 58 3.311 10.997 4.345 1.00 0.54 N ATOM 625 CA THR A 58 4.018 11.568 5.494 1.00 0.56 C ATOM 626 C THR A 58 5.022 12.637 5.081 1.00 0.66 C ATOM 627 O THR A 58 5.440 13.442 5.914 1.00 1.15 O ATOM 628 CB THR A 58 4.731 10.473 6.314 1.00 0.65 C ATOM 629 OG1 THR A 58 3.817 9.397 6.570 1.00 1.43 O ATOM 630 CG2 THR A 58 5.245 11.019 7.639 1.00 1.12 C ATOM 0 H THR A 58 3.396 9.983 4.273 1.00 0.54 H new ATOM 0 HA THR A 58 3.259 12.041 6.117 1.00 0.56 H new ATOM 0 HB THR A 58 5.583 10.117 5.735 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.173 8.567 6.189 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.742 10.222 8.193 1.00 1.12 H new ATOM 0 HG22 THR A 58 5.953 11.826 7.450 1.00 1.12 H new ATOM 0 HG23 THR A 58 4.408 11.400 8.225 1.00 1.12 H new ATOM 638 N LYS A 59 5.411 12.633 3.806 1.00 0.57 N ATOM 639 CA LYS A 59 6.237 13.698 3.242 1.00 0.58 C ATOM 640 C LYS A 59 5.391 14.590 2.340 1.00 0.48 C ATOM 641 O LYS A 59 5.721 15.745 2.076 1.00 0.54 O ATOM 642 CB LYS A 59 7.413 13.120 2.451 1.00 0.69 C ATOM 643 CG LYS A 59 8.423 12.384 3.319 1.00 1.37 C ATOM 644 CD LYS A 59 8.008 10.948 3.616 1.00 1.96 C ATOM 645 CE LYS A 59 7.980 10.088 2.359 1.00 2.58 C ATOM 646 NZ LYS A 59 7.518 8.702 2.657 1.00 3.59 N ATOM 0 H LYS A 59 5.165 11.899 3.142 1.00 0.57 H new ATOM 0 HA LYS A 59 6.637 14.291 4.064 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.030 12.436 1.693 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.919 13.929 1.924 1.00 0.69 H new ATOM 0 HG2 LYS A 59 9.392 12.382 2.819 1.00 1.37 H new ATOM 0 HG3 LYS A 59 8.550 12.923 4.258 1.00 1.37 H new ATOM 0 HD2 LYS A 59 8.700 10.513 4.337 1.00 1.96 H new ATOM 0 HD3 LYS A 59 7.021 10.945 4.079 1.00 1.96 H new ATOM 0 HE2 LYS A 59 7.319 10.542 1.620 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.976 10.054 1.918 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 7.947 8.040 1.980 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 7.802 8.442 3.623 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 6.482 8.657 2.577 1.00 3.59 H new ATOM 660 N PHE A 60 4.274 14.030 1.911 1.00 0.40 N ATOM 661 CA PHE A 60 3.463 14.597 0.842 1.00 0.35 C ATOM 662 C PHE A 60 2.531 15.677 1.381 1.00 0.36 C ATOM 663 O PHE A 60 1.955 16.448 0.616 1.00 0.40 O ATOM 664 CB PHE A 60 2.661 13.472 0.167 1.00 0.37 C ATOM 665 CG PHE A 60 2.248 13.777 -1.253 1.00 0.76 C ATOM 666 CD1 PHE A 60 3.199 14.173 -2.185 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.920 13.673 -1.664 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.844 14.460 -3.494 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.561 13.963 -2.976 1.00 2.01 C ATOM 670 CZ PHE A 60 1.525 14.357 -3.890 1.00 1.72 C ATOM 0 H PHE A 60 3.899 13.163 2.296 1.00 0.40 H new ATOM 0 HA PHE A 60 4.117 15.065 0.106 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.259 12.560 0.173 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.768 13.271 0.759 1.00 0.37 H new ATOM 0 HD1 PHE A 60 4.233 14.259 -1.885 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.163 13.365 -0.958 1.00 1.62 H new ATOM 0 HE1 PHE A 60 3.599 14.764 -4.204 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.471 13.881 -3.283 1.00 2.01 H new ATOM 0 HZ PHE A 60 1.246 14.583 -4.909 1.00 1.72 H new ATOM 680 N LEU A 61 2.414 15.699 2.716 1.00 0.38 N ATOM 681 CA LEU A 61 1.466 16.537 3.462 1.00 0.44 C ATOM 682 C LEU A 61 1.512 18.002 3.058 1.00 0.47 C ATOM 683 O LEU A 61 0.505 18.700 3.136 1.00 0.60 O ATOM 684 CB LEU A 61 1.768 16.436 4.960 1.00 0.50 C ATOM 685 CG LEU A 61 1.718 15.024 5.561 1.00 0.56 C ATOM 686 CD1 LEU A 61 2.209 15.039 6.997 1.00 0.72 C ATOM 687 CD2 LEU A 61 0.307 14.461 5.488 1.00 0.61 C ATOM 0 H LEU A 61 2.992 15.118 3.323 1.00 0.38 H new ATOM 0 HA LEU A 61 0.469 16.163 3.228 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.760 16.851 5.140 1.00 0.50 H new ATOM 0 HB3 LEU A 61 1.057 17.064 5.497 1.00 0.50 H new ATOM 0 HG LEU A 61 2.376 14.380 4.978 1.00 0.56 H new ATOM 0 HD11 LEU A 61 2.166 14.030 7.407 1.00 0.72 H new ATOM 0 HD12 LEU A 61 3.237 15.399 7.026 1.00 0.72 H new ATOM 0 HD13 LEU A 61 1.576 15.699 7.591 1.00 0.72 H new ATOM 0 HD21 LEU A 61 0.292 13.460 5.919 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.372 15.106 6.046 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.012 14.413 4.447 1.00 0.61 H new ATOM 699 N GLU A 62 2.695 18.461 2.662 1.00 0.46 N ATOM 700 CA GLU A 62 2.922 19.868 2.371 1.00 0.55 C ATOM 701 C GLU A 62 2.958 20.127 0.866 1.00 0.53 C ATOM 702 O GLU A 62 3.011 21.272 0.427 1.00 0.72 O ATOM 703 CB GLU A 62 4.237 20.307 3.014 1.00 0.68 C ATOM 704 CG GLU A 62 5.433 19.482 2.579 1.00 0.99 C ATOM 705 CD GLU A 62 6.696 19.896 3.293 1.00 1.22 C ATOM 706 OE1 GLU A 62 7.214 20.993 2.999 1.00 1.60 O ATOM 707 OE2 GLU A 62 7.187 19.126 4.138 1.00 1.62 O ATOM 0 H GLU A 62 3.517 17.871 2.535 1.00 0.46 H new ATOM 0 HA GLU A 62 2.096 20.447 2.784 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.420 21.353 2.769 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.139 20.246 4.098 1.00 0.68 H new ATOM 0 HG2 GLU A 62 5.236 18.428 2.773 1.00 0.99 H new ATOM 0 HG3 GLU A 62 5.574 19.587 1.503 1.00 0.99 H new ATOM 714 N GLU A 63 2.924 19.048 0.091 1.00 0.42 N ATOM 715 CA GLU A 63 3.105 19.111 -1.363 1.00 0.48 C ATOM 716 C GLU A 63 1.784 18.808 -2.070 1.00 0.46 C ATOM 717 O GLU A 63 1.681 18.885 -3.298 1.00 0.66 O ATOM 718 CB GLU A 63 4.168 18.082 -1.763 1.00 0.59 C ATOM 719 CG GLU A 63 4.645 18.185 -3.206 1.00 1.05 C ATOM 720 CD GLU A 63 5.403 19.469 -3.498 1.00 1.31 C ATOM 721 OE1 GLU A 63 6.530 19.635 -2.987 1.00 1.83 O ATOM 722 OE2 GLU A 63 4.853 20.341 -4.206 1.00 2.03 O ATOM 0 H GLU A 63 2.771 18.105 0.448 1.00 0.42 H new ATOM 0 HA GLU A 63 3.427 20.110 -1.656 1.00 0.48 H new ATOM 0 HB2 GLU A 63 5.028 18.193 -1.102 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.766 17.082 -1.598 1.00 0.59 H new ATOM 0 HG2 GLU A 63 5.287 17.333 -3.431 1.00 1.05 H new ATOM 0 HG3 GLU A 63 3.784 18.120 -3.871 1.00 1.05 H new ATOM 729 N HIS A 64 0.782 18.455 -1.274 1.00 0.33 N ATOM 730 CA HIS A 64 -0.526 18.057 -1.784 1.00 0.32 C ATOM 731 C HIS A 64 -1.570 19.143 -1.519 1.00 0.42 C ATOM 732 O HIS A 64 -1.758 19.560 -0.374 1.00 0.52 O ATOM 733 CB HIS A 64 -0.947 16.738 -1.137 1.00 0.38 C ATOM 734 CG HIS A 64 -2.284 16.139 -1.527 1.00 0.36 C ATOM 735 ND1 HIS A 64 -3.428 16.277 -0.768 1.00 0.44 N ATOM 736 CD2 HIS A 64 -2.595 15.338 -2.607 1.00 0.34 C ATOM 737 CE1 HIS A 64 -4.406 15.570 -1.358 1.00 0.43 C ATOM 738 NE2 HIS A 64 -3.933 14.988 -2.461 1.00 0.36 N ATOM 0 H HIS A 64 0.852 18.436 -0.257 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.456 17.920 -2.863 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.176 16.000 -1.356 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -0.951 16.884 -0.057 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -1.932 15.042 -3.406 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -5.420 15.486 -0.995 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -4.464 14.387 -3.092 1.00 0.36 H new ATOM 746 N PRO A 65 -2.268 19.603 -2.581 1.00 0.51 N ATOM 747 CA PRO A 65 -3.213 20.732 -2.496 1.00 0.73 C ATOM 748 C PRO A 65 -4.493 20.387 -1.742 1.00 0.90 C ATOM 749 O PRO A 65 -5.108 21.246 -1.105 1.00 1.46 O ATOM 750 CB PRO A 65 -3.529 21.026 -3.965 1.00 0.96 C ATOM 751 CG PRO A 65 -3.329 19.728 -4.667 1.00 0.81 C ATOM 752 CD PRO A 65 -2.192 19.053 -3.952 1.00 0.55 C ATOM 0 HA PRO A 65 -2.788 21.572 -1.947 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.551 21.387 -4.085 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -2.870 21.797 -4.364 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.232 19.119 -4.630 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.093 19.884 -5.720 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -2.303 17.969 -3.956 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.234 19.277 -4.421 1.00 0.55 H new ATOM 760 N GLY A 66 -4.874 19.123 -1.801 1.00 1.08 N ATOM 761 CA GLY A 66 -6.188 18.724 -1.331 1.00 1.38 C ATOM 762 C GLY A 66 -6.199 18.129 0.060 1.00 1.38 C ATOM 763 O GLY A 66 -6.961 17.198 0.320 1.00 2.03 O ATOM 0 H GLY A 66 -4.299 18.363 -2.165 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.846 19.593 -1.347 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.604 17.997 -2.028 1.00 1.38 H new ATOM 767 N GLY A 67 -5.374 18.655 0.961 1.00 1.25 N ATOM 768 CA GLY A 67 -5.431 18.192 2.327 1.00 1.70 C ATOM 769 C GLY A 67 -4.190 18.466 3.145 1.00 1.24 C ATOM 770 O GLY A 67 -3.063 18.298 2.687 1.00 1.66 O ATOM 0 H GLY A 67 -4.681 19.379 0.771 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -6.283 18.661 2.819 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.616 17.118 2.324 1.00 1.70 H new ATOM 774 N GLU A 68 -4.440 18.918 4.358 1.00 1.38 N ATOM 775 CA GLU A 68 -3.452 18.964 5.425 1.00 1.18 C ATOM 776 C GLU A 68 -4.194 18.588 6.693 1.00 0.94 C ATOM 777 O GLU A 68 -3.791 17.714 7.460 1.00 0.98 O ATOM 778 CB GLU A 68 -2.832 20.362 5.566 1.00 1.50 C ATOM 779 CG GLU A 68 -1.674 20.410 6.564 1.00 1.48 C ATOM 780 CD GLU A 68 -1.097 21.801 6.761 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.558 22.371 5.791 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.165 22.327 7.892 1.00 2.25 O ATOM 0 H GLU A 68 -5.355 19.272 4.638 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.627 18.283 5.215 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.477 20.695 4.591 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.604 21.065 5.881 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -2.018 20.029 7.526 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.883 19.743 6.222 1.00 1.48 H new ATOM 789 N GLU A 69 -5.327 19.263 6.857 1.00 0.91 N ATOM 790 CA GLU A 69 -6.297 18.952 7.890 1.00 0.84 C ATOM 791 C GLU A 69 -7.006 17.650 7.558 1.00 0.75 C ATOM 792 O GLU A 69 -6.974 16.687 8.309 1.00 0.78 O ATOM 793 CB GLU A 69 -7.328 20.080 7.974 1.00 0.97 C ATOM 794 CG GLU A 69 -6.818 21.356 8.616 1.00 1.64 C ATOM 795 CD GLU A 69 -7.227 21.448 10.065 1.00 1.97 C ATOM 796 OE1 GLU A 69 -8.416 21.722 10.331 1.00 2.27 O ATOM 797 OE2 GLU A 69 -6.378 21.232 10.949 1.00 2.63 O ATOM 0 H GLU A 69 -5.597 20.050 6.267 1.00 0.91 H new ATOM 0 HA GLU A 69 -5.782 18.849 8.845 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.678 20.310 6.968 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -8.190 19.725 8.538 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.731 21.393 8.541 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.205 22.218 8.072 1.00 1.64 H new ATOM 804 N VAL A 70 -7.650 17.657 6.399 1.00 0.79 N ATOM 805 CA VAL A 70 -8.608 16.623 6.018 1.00 0.86 C ATOM 806 C VAL A 70 -7.973 15.236 5.927 1.00 0.82 C ATOM 807 O VAL A 70 -8.663 14.230 6.082 1.00 1.01 O ATOM 808 CB VAL A 70 -9.286 16.977 4.672 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.419 16.012 4.357 1.00 1.96 C ATOM 810 CG2 VAL A 70 -9.804 18.415 4.675 1.00 1.41 C ATOM 0 H VAL A 70 -7.524 18.382 5.693 1.00 0.79 H new ATOM 0 HA VAL A 70 -9.358 16.588 6.808 1.00 0.86 H new ATOM 0 HB VAL A 70 -8.529 16.886 3.893 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.876 16.286 3.406 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.025 14.998 4.292 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -11.168 16.060 5.147 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -10.275 18.634 3.717 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -10.535 18.537 5.475 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.972 19.101 4.836 1.00 1.41 H new ATOM 820 N LEU A 71 -6.661 15.182 5.712 1.00 0.72 N ATOM 821 CA LEU A 71 -5.961 13.911 5.582 1.00 0.74 C ATOM 822 C LEU A 71 -6.107 13.053 6.842 1.00 0.70 C ATOM 823 O LEU A 71 -6.287 11.839 6.770 1.00 0.77 O ATOM 824 CB LEU A 71 -4.487 14.165 5.265 1.00 0.84 C ATOM 825 CG LEU A 71 -4.219 14.758 3.877 1.00 1.10 C ATOM 826 CD1 LEU A 71 -2.728 14.924 3.654 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.827 13.875 2.790 1.00 1.69 C ATOM 0 H LEU A 71 -6.063 16.004 5.624 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.413 13.354 4.761 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.080 14.840 6.018 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -3.944 13.224 5.353 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.689 15.740 3.824 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -2.553 15.346 2.664 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.319 15.593 4.411 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.239 13.953 3.726 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.627 14.312 1.812 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -4.385 12.880 2.840 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -5.904 13.802 2.941 1.00 1.69 H new ATOM 839 N ARG A 72 -6.011 13.728 8.002 1.00 0.70 N ATOM 840 CA ARG A 72 -5.928 13.078 9.316 1.00 0.78 C ATOM 841 C ARG A 72 -7.093 12.124 9.591 1.00 0.92 C ATOM 842 O ARG A 72 -6.979 11.234 10.429 1.00 1.03 O ATOM 843 CB ARG A 72 -5.885 14.148 10.405 1.00 0.77 C ATOM 844 CG ARG A 72 -7.201 14.855 10.534 1.00 1.42 C ATOM 845 CD ARG A 72 -7.174 15.964 11.564 1.00 1.49 C ATOM 846 NE ARG A 72 -8.278 16.903 11.348 1.00 2.11 N ATOM 847 CZ ARG A 72 -8.128 18.223 11.326 1.00 2.48 C ATOM 848 NH1 ARG A 72 -6.954 18.758 11.629 1.00 2.24 N ATOM 849 NH2 ARG A 72 -9.153 19.011 11.005 1.00 3.47 N ATOM 0 H ARG A 72 -5.989 14.747 8.051 1.00 0.70 H new ATOM 0 HA ARG A 72 -5.018 12.478 9.319 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -5.623 13.688 11.358 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.103 14.872 10.175 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -7.481 15.271 9.566 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -7.971 14.133 10.805 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -7.244 15.538 12.565 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -6.223 16.495 11.509 1.00 1.49 H new ATOM 0 HE ARG A 72 -9.214 16.522 11.207 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -6.169 18.157 11.878 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -6.836 19.771 11.613 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -10.058 18.602 10.775 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -9.032 20.024 10.990 1.00 3.47 H new ATOM 863 N GLU A 73 -8.218 12.352 8.910 1.00 1.13 N ATOM 864 CA GLU A 73 -9.458 11.627 9.194 1.00 1.55 C ATOM 865 C GLU A 73 -9.646 10.469 8.221 1.00 1.28 C ATOM 866 O GLU A 73 -10.408 9.536 8.466 1.00 1.60 O ATOM 867 CB GLU A 73 -10.646 12.580 9.088 1.00 1.97 C ATOM 868 CG GLU A 73 -10.373 13.952 9.684 1.00 2.63 C ATOM 869 CD GLU A 73 -11.631 14.746 9.938 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.091 15.433 9.003 1.00 3.65 O ATOM 871 OE2 GLU A 73 -12.181 14.663 11.051 1.00 3.55 O ATOM 0 H GLU A 73 -8.296 13.035 8.156 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.397 11.224 10.205 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.918 12.695 8.039 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -11.504 12.137 9.593 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -9.830 13.833 10.621 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -9.726 14.513 9.009 1.00 2.63 H new ATOM 878 N GLN A 74 -8.972 10.585 7.089 1.00 0.77 N ATOM 879 CA GLN A 74 -8.999 9.577 6.040 1.00 0.62 C ATOM 880 C GLN A 74 -7.892 8.560 6.277 1.00 0.56 C ATOM 881 O GLN A 74 -7.883 7.468 5.710 1.00 0.64 O ATOM 882 CB GLN A 74 -8.788 10.273 4.702 1.00 0.63 C ATOM 883 CG GLN A 74 -9.858 11.302 4.368 1.00 0.76 C ATOM 884 CD GLN A 74 -11.180 10.677 3.977 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.229 9.549 3.492 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.260 11.420 4.151 1.00 1.68 N ATOM 0 H GLN A 74 -8.385 11.389 6.869 1.00 0.77 H new ATOM 0 HA GLN A 74 -9.956 9.056 6.042 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -7.815 10.764 4.708 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -8.761 9.522 3.913 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.011 11.952 5.230 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -9.505 11.933 3.552 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.178 12.352 4.557 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.175 11.061 3.879 1.00 1.68 H new ATOM 895 N ALA A 75 -6.949 8.960 7.120 1.00 0.55 N ATOM 896 CA ALA A 75 -5.791 8.148 7.452 1.00 0.58 C ATOM 897 C ALA A 75 -6.143 7.045 8.443 1.00 0.52 C ATOM 898 O ALA A 75 -6.916 7.255 9.380 1.00 0.70 O ATOM 899 CB ALA A 75 -4.686 9.033 8.012 1.00 0.70 C ATOM 0 H ALA A 75 -6.968 9.863 7.594 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.441 7.666 6.539 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.819 8.420 8.260 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.403 9.777 7.267 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -5.043 9.536 8.910 1.00 0.70 H new ATOM 905 N GLY A 76 -5.577 5.870 8.227 1.00 0.49 N ATOM 906 CA GLY A 76 -5.798 4.767 9.136 1.00 0.58 C ATOM 907 C GLY A 76 -6.525 3.611 8.479 1.00 0.48 C ATOM 908 O GLY A 76 -6.466 2.482 8.970 1.00 0.72 O ATOM 0 H GLY A 76 -4.967 5.660 7.437 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.839 4.418 9.519 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.376 5.116 9.992 1.00 0.58 H new ATOM 912 N GLY A 77 -7.211 3.886 7.376 1.00 0.42 N ATOM 913 CA GLY A 77 -7.916 2.836 6.661 1.00 0.52 C ATOM 914 C GLY A 77 -8.575 3.339 5.394 1.00 0.44 C ATOM 915 O GLY A 77 -7.953 4.068 4.621 1.00 0.78 O ATOM 0 H GLY A 77 -7.292 4.815 6.964 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.216 2.038 6.411 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.674 2.402 7.313 1.00 0.52 H new ATOM 919 N ASP A 78 -9.833 2.954 5.189 1.00 0.55 N ATOM 920 CA ASP A 78 -10.545 3.282 3.961 1.00 0.72 C ATOM 921 C ASP A 78 -10.735 4.782 3.814 1.00 0.67 C ATOM 922 O ASP A 78 -11.325 5.437 4.675 1.00 1.04 O ATOM 923 CB ASP A 78 -11.908 2.581 3.889 1.00 1.14 C ATOM 924 CG ASP A 78 -11.803 1.068 3.995 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.837 0.549 5.134 1.00 2.59 O ATOM 926 OD2 ASP A 78 -11.704 0.394 2.949 1.00 2.28 O ATOM 0 H ASP A 78 -10.379 2.414 5.860 1.00 0.55 H new ATOM 0 HA ASP A 78 -9.927 2.922 3.138 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -12.545 2.953 4.692 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -12.395 2.841 2.949 1.00 1.14 H new ATOM 931 N ALA A 79 -10.253 5.319 2.716 1.00 0.54 N ATOM 932 CA ALA A 79 -10.467 6.717 2.404 1.00 0.58 C ATOM 933 C ALA A 79 -11.266 6.852 1.113 1.00 0.56 C ATOM 934 O ALA A 79 -11.559 7.958 0.658 1.00 0.67 O ATOM 935 CB ALA A 79 -9.135 7.433 2.288 1.00 0.73 C ATOM 0 H ALA A 79 -9.708 4.808 2.021 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.038 7.178 3.210 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.306 8.484 2.053 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.597 7.355 3.233 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.544 6.975 1.495 1.00 0.73 H new ATOM 941 N THR A 80 -11.655 5.712 0.551 1.00 0.54 N ATOM 942 CA THR A 80 -12.286 5.672 -0.762 1.00 0.60 C ATOM 943 C THR A 80 -13.754 6.135 -0.730 1.00 0.65 C ATOM 944 O THR A 80 -14.545 5.762 -1.594 1.00 0.84 O ATOM 945 CB THR A 80 -12.178 4.256 -1.386 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.707 4.242 -2.715 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.886 3.213 -0.533 1.00 0.70 C ATOM 0 H THR A 80 -11.543 4.798 0.989 1.00 0.54 H new ATOM 0 HA THR A 80 -11.742 6.378 -1.389 1.00 0.60 H new ATOM 0 HB THR A 80 -11.119 4.001 -1.425 1.00 0.66 H new ATOM 0 HG1 THR A 80 -13.569 4.707 -2.729 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.789 2.233 -1.001 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.435 3.187 0.459 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.941 3.470 -0.445 1.00 0.70 H new ATOM 955 N GLU A 81 -14.118 6.964 0.247 1.00 0.65 N ATOM 956 CA GLU A 81 -15.448 7.564 0.259 1.00 0.79 C ATOM 957 C GLU A 81 -15.447 8.811 -0.616 1.00 0.85 C ATOM 958 O GLU A 81 -16.308 8.997 -1.469 1.00 0.98 O ATOM 959 CB GLU A 81 -15.923 7.868 1.694 1.00 0.91 C ATOM 960 CG GLU A 81 -14.954 8.656 2.567 1.00 1.54 C ATOM 961 CD GLU A 81 -15.327 10.119 2.697 1.00 1.82 C ATOM 962 OE1 GLU A 81 -16.331 10.425 3.372 1.00 2.27 O ATOM 963 OE2 GLU A 81 -14.609 10.966 2.135 1.00 2.27 O ATOM 0 H GLU A 81 -13.520 7.232 1.029 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.162 6.850 -0.152 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -16.860 8.422 1.635 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.142 6.923 2.191 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -14.920 8.206 3.559 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -13.951 8.579 2.147 1.00 1.54 H new ATOM 970 N ASN A 82 -14.423 9.640 -0.405 1.00 0.82 N ATOM 971 CA ASN A 82 -14.207 10.856 -1.179 1.00 0.90 C ATOM 972 C ASN A 82 -13.954 10.509 -2.635 1.00 0.94 C ATOM 973 O ASN A 82 -14.330 11.236 -3.555 1.00 1.09 O ATOM 974 CB ASN A 82 -12.991 11.593 -0.613 1.00 0.93 C ATOM 975 CG ASN A 82 -12.679 12.875 -1.351 1.00 1.70 C ATOM 976 OD1 ASN A 82 -11.939 12.876 -2.332 1.00 2.41 O ATOM 977 ND2 ASN A 82 -13.225 13.975 -0.865 1.00 2.40 N ATOM 0 H ASN A 82 -13.717 9.482 0.314 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.092 11.489 -1.116 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.168 11.820 0.438 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.123 10.936 -0.656 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -13.038 14.875 -1.307 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -13.833 13.924 -0.048 1.00 2.40 H new ATOM 984 N PHE A 83 -13.288 9.367 -2.800 1.00 0.85 N ATOM 985 CA PHE A 83 -12.772 8.912 -4.082 1.00 0.89 C ATOM 986 C PHE A 83 -13.900 8.482 -5.012 1.00 1.02 C ATOM 987 O PHE A 83 -13.757 8.495 -6.231 1.00 1.17 O ATOM 988 CB PHE A 83 -11.800 7.749 -3.842 1.00 0.81 C ATOM 989 CG PHE A 83 -11.112 7.262 -5.085 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.169 8.052 -5.719 1.00 0.97 C ATOM 991 CD2 PHE A 83 -11.390 6.006 -5.604 1.00 1.20 C ATOM 992 CE1 PHE A 83 -9.524 7.605 -6.855 1.00 1.06 C ATOM 993 CE2 PHE A 83 -10.748 5.556 -6.744 1.00 1.33 C ATOM 994 CZ PHE A 83 -9.871 6.366 -7.402 1.00 1.13 C ATOM 0 H PHE A 83 -13.091 8.725 -2.032 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.249 9.737 -4.566 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.046 8.062 -3.120 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.346 6.920 -3.392 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -9.935 9.028 -5.321 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -12.115 5.373 -5.113 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -8.757 8.208 -7.318 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.942 4.560 -7.114 1.00 1.33 H new ATOM 0 HZ PHE A 83 -9.445 6.051 -8.343 1.00 1.13 H new ATOM 1004 N GLU A 84 -15.017 8.094 -4.400 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.185 7.587 -5.119 1.00 1.14 C ATOM 1006 C GLU A 84 -17.126 8.722 -5.513 1.00 1.24 C ATOM 1007 O GLU A 84 -18.104 8.524 -6.236 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.930 6.592 -4.228 1.00 1.20 C ATOM 1009 CG GLU A 84 -16.257 5.231 -4.132 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.452 4.407 -5.385 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -15.682 4.603 -6.349 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -17.363 3.562 -5.410 1.00 2.30 O ATOM 0 H GLU A 84 -15.138 8.122 -3.388 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.844 7.096 -6.030 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.022 7.013 -3.227 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.941 6.461 -4.613 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.191 5.367 -3.951 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.659 4.688 -3.276 1.00 1.33 H new ATOM 1019 N ASP A 85 -16.823 9.905 -4.989 1.00 1.18 N ATOM 1020 CA ASP A 85 -17.649 11.092 -5.169 1.00 1.34 C ATOM 1021 C ASP A 85 -16.999 12.040 -6.181 1.00 1.45 C ATOM 1022 O ASP A 85 -17.550 12.301 -7.251 1.00 1.90 O ATOM 1023 CB ASP A 85 -17.838 11.791 -3.814 1.00 1.35 C ATOM 1024 CG ASP A 85 -18.639 13.071 -3.916 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -19.852 12.995 -4.190 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -18.052 14.156 -3.710 1.00 1.81 O ATOM 0 H ASP A 85 -15.990 10.068 -4.423 1.00 1.18 H new ATOM 0 HA ASP A 85 -18.625 10.800 -5.557 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.339 11.109 -3.126 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -16.860 12.014 -3.387 1.00 1.35 H new ATOM 1031 N VAL A 86 -15.819 12.549 -5.838 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.048 13.380 -6.750 1.00 1.50 C ATOM 1033 C VAL A 86 -13.771 12.648 -7.166 1.00 1.26 C ATOM 1034 O VAL A 86 -13.445 12.562 -8.353 1.00 1.87 O ATOM 1035 CB VAL A 86 -14.695 14.751 -6.124 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -13.773 15.543 -7.032 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -15.957 15.550 -5.829 1.00 2.64 C ATOM 0 H VAL A 86 -15.377 12.398 -4.931 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.665 13.570 -7.629 1.00 1.50 H new ATOM 0 HB VAL A 86 -14.174 14.564 -5.185 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -13.541 16.502 -6.568 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -12.851 14.984 -7.191 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -14.264 15.713 -7.990 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -15.686 16.510 -5.390 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -16.506 15.717 -6.755 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -16.584 14.996 -5.131 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.058 12.123 -6.172 1.00 1.38 N ATOM 1048 CA GLY A 87 -11.907 11.275 -6.432 1.00 1.82 C ATOM 1049 C GLY A 87 -10.740 12.011 -7.045 1.00 1.46 C ATOM 1050 O GLY A 87 -10.360 13.087 -6.588 1.00 2.23 O ATOM 0 H GLY A 87 -13.260 12.272 -5.183 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -11.586 10.816 -5.497 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.206 10.466 -7.098 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.179 11.423 -8.089 1.00 1.05 N ATOM 1055 CA HIS A 88 -8.999 11.968 -8.738 1.00 0.81 C ATOM 1056 C HIS A 88 -9.113 11.870 -10.251 1.00 0.89 C ATOM 1057 O HIS A 88 -9.716 10.934 -10.780 1.00 1.32 O ATOM 1058 CB HIS A 88 -7.738 11.226 -8.287 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.298 11.544 -6.895 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.601 10.764 -5.783 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -6.515 12.554 -6.444 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -6.998 11.316 -4.718 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.338 12.389 -5.082 1.00 0.48 N ATOM 0 H HIS A 88 -10.526 10.560 -8.508 1.00 1.05 H new ATOM 0 HA HIS A 88 -8.927 13.017 -8.450 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -7.916 10.153 -8.362 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -6.926 11.463 -8.975 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -8.178 9.923 -5.778 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.101 13.350 -7.044 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.049 10.933 -3.710 1.00 0.98 H new ATOM 1071 N SER A 89 -8.520 12.821 -10.947 1.00 0.81 N ATOM 1072 CA SER A 89 -8.483 12.777 -12.394 1.00 1.00 C ATOM 1073 C SER A 89 -7.302 11.919 -12.855 1.00 1.00 C ATOM 1074 O SER A 89 -6.492 11.497 -12.024 1.00 1.43 O ATOM 1075 CB SER A 89 -8.397 14.194 -12.957 1.00 1.22 C ATOM 1076 OG SER A 89 -7.325 14.909 -12.368 1.00 1.06 O ATOM 0 H SER A 89 -8.059 13.631 -10.534 1.00 0.81 H new ATOM 0 HA SER A 89 -9.400 12.323 -12.770 1.00 1.00 H new ATOM 0 HB2 SER A 89 -8.261 14.152 -14.038 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.334 14.720 -12.774 1.00 1.22 H new ATOM 0 HG SER A 89 -7.288 15.813 -12.745 1.00 1.06 H new ATOM 1082 N THR A 90 -7.206 11.666 -14.160 1.00 1.14 N ATOM 1083 CA THR A 90 -6.211 10.745 -14.713 1.00 1.15 C ATOM 1084 C THR A 90 -4.789 11.000 -14.181 1.00 1.15 C ATOM 1085 O THR A 90 -4.058 10.054 -13.886 1.00 1.72 O ATOM 1086 CB THR A 90 -6.217 10.816 -16.253 1.00 1.27 C ATOM 1087 OG1 THR A 90 -7.563 10.656 -16.721 1.00 1.45 O ATOM 1088 CG2 THR A 90 -5.343 9.729 -16.845 1.00 1.49 C ATOM 0 H THR A 90 -7.812 12.091 -14.862 1.00 1.14 H new ATOM 0 HA THR A 90 -6.497 9.745 -14.385 1.00 1.15 H new ATOM 0 HB THR A 90 -5.822 11.783 -16.564 1.00 1.27 H new ATOM 0 HG1 THR A 90 -7.577 10.702 -17.700 1.00 1.45 H new ATOM 0 HG21 THR A 90 -5.362 9.798 -17.933 1.00 1.49 H new ATOM 0 HG22 THR A 90 -4.319 9.853 -16.492 1.00 1.49 H new ATOM 0 HG23 THR A 90 -5.718 8.753 -16.537 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.435 12.271 -14.006 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.086 12.667 -13.567 1.00 0.97 C ATOM 1098 C ASP A 91 -2.641 11.887 -12.327 1.00 0.89 C ATOM 1099 O ASP A 91 -1.582 11.257 -12.309 1.00 0.88 O ATOM 1100 CB ASP A 91 -3.064 14.166 -13.263 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.681 14.672 -12.880 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.895 15.004 -13.786 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -1.376 14.728 -11.667 1.00 2.46 O ATOM 0 H ASP A 91 -5.067 13.057 -14.162 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.391 12.438 -14.375 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.417 14.714 -14.137 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.760 14.377 -12.452 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.474 11.924 -11.292 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.123 11.352 -9.999 1.00 0.90 C ATOM 1110 C ALA A 92 -3.181 9.834 -10.007 1.00 0.82 C ATOM 1111 O ALA A 92 -2.771 9.190 -9.046 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.025 11.899 -8.911 1.00 0.97 C ATOM 0 H ALA A 92 -4.402 12.347 -11.325 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.093 11.642 -9.793 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -3.747 11.460 -7.953 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -3.916 12.982 -8.859 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.061 11.649 -9.138 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.680 9.268 -11.093 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.748 7.821 -11.242 1.00 0.73 C ATOM 1120 C ARG A 93 -2.371 7.284 -11.612 1.00 0.69 C ATOM 1121 O ARG A 93 -2.082 6.092 -11.491 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.770 7.466 -12.321 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.176 7.944 -11.979 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.175 7.649 -13.090 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.461 8.299 -12.841 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.549 8.103 -13.576 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -9.500 7.300 -14.640 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.683 8.726 -13.249 1.00 4.15 N ATOM 0 H ARG A 93 -4.046 9.790 -11.889 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.061 7.367 -10.302 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.461 7.908 -13.268 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.782 6.385 -12.463 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.507 7.462 -11.059 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.156 9.017 -11.788 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.772 7.991 -14.043 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -7.321 6.572 -13.173 1.00 1.70 H new ATOM 0 HE ARG A 93 -8.526 8.943 -12.053 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -8.626 6.836 -14.889 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -10.336 7.150 -15.204 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -10.709 9.347 -12.440 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.524 8.581 -13.808 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.521 8.212 -12.036 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.191 7.912 -12.541 1.00 0.60 C ATOM 1144 C GLU A 94 0.821 8.363 -11.501 1.00 0.58 C ATOM 1145 O GLU A 94 1.782 7.670 -11.173 1.00 0.74 O ATOM 1146 CB GLU A 94 0.040 8.663 -13.865 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.024 8.411 -14.927 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.972 7.010 -15.499 1.00 1.38 C ATOM 1149 OE1 GLU A 94 -1.201 6.049 -14.741 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -0.709 6.861 -16.706 1.00 2.11 O ATOM 0 H GLU A 94 -1.742 9.208 -12.038 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.084 6.843 -12.726 1.00 0.60 H new ATOM 0 HB2 GLU A 94 0.084 9.732 -13.659 1.00 0.68 H new ATOM 0 HB3 GLU A 94 1.012 8.376 -14.267 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.009 8.584 -14.494 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -0.900 9.132 -15.735 1.00 1.19 H new ATOM 1157 N MET A 95 0.539 9.562 -10.986 1.00 0.48 N ATOM 1158 CA MET A 95 1.375 10.269 -10.018 1.00 0.49 C ATOM 1159 C MET A 95 1.492 9.505 -8.705 1.00 0.42 C ATOM 1160 O MET A 95 2.512 9.562 -8.029 1.00 0.50 O ATOM 1161 CB MET A 95 0.740 11.633 -9.750 1.00 0.53 C ATOM 1162 CG MET A 95 1.617 12.582 -8.963 1.00 0.65 C ATOM 1163 SD MET A 95 3.027 13.175 -9.914 1.00 1.09 S ATOM 1164 CE MET A 95 3.675 14.397 -8.782 1.00 1.75 C ATOM 0 H MET A 95 -0.302 10.081 -11.239 1.00 0.48 H new ATOM 0 HA MET A 95 2.379 10.371 -10.431 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.486 12.097 -10.703 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.194 11.486 -9.208 1.00 0.53 H new ATOM 0 HG2 MET A 95 1.021 13.434 -8.635 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.975 12.079 -8.065 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.558 14.865 -9.218 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.917 15.157 -8.594 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.946 13.915 -7.843 1.00 1.75 H new ATOM 1174 N SER A 96 0.406 8.822 -8.347 1.00 0.34 N ATOM 1175 CA SER A 96 0.289 8.169 -7.044 1.00 0.31 C ATOM 1176 C SER A 96 0.984 6.811 -6.977 1.00 0.31 C ATOM 1177 O SER A 96 1.118 6.213 -5.914 1.00 0.33 O ATOM 1178 CB SER A 96 -1.179 8.019 -6.663 1.00 0.36 C ATOM 1179 OG SER A 96 -1.753 9.269 -6.347 1.00 1.13 O ATOM 0 H SER A 96 -0.411 8.706 -8.946 1.00 0.34 H new ATOM 0 HA SER A 96 0.800 8.815 -6.331 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.727 7.562 -7.487 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.269 7.348 -5.809 1.00 0.36 H new ATOM 0 HG SER A 96 -2.259 9.601 -7.118 1.00 1.13 H new ATOM 1185 N LYS A 97 1.348 6.302 -8.160 1.00 0.36 N ATOM 1186 CA LYS A 97 1.800 4.919 -8.319 1.00 0.43 C ATOM 1187 C LYS A 97 3.035 4.604 -7.498 1.00 0.41 C ATOM 1188 O LYS A 97 3.236 3.458 -7.104 1.00 0.48 O ATOM 1189 CB LYS A 97 2.076 4.624 -9.790 1.00 0.56 C ATOM 1190 CG LYS A 97 0.811 4.416 -10.607 1.00 0.83 C ATOM 1191 CD LYS A 97 1.134 4.184 -12.068 1.00 1.15 C ATOM 1192 CE LYS A 97 -0.100 3.783 -12.848 1.00 1.56 C ATOM 1193 NZ LYS A 97 0.165 3.741 -14.307 1.00 2.15 N ATOM 0 H LYS A 97 1.337 6.836 -9.029 1.00 0.36 H new ATOM 0 HA LYS A 97 0.996 4.282 -7.951 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.646 5.448 -10.218 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.699 3.733 -9.864 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.258 3.563 -10.214 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.164 5.288 -10.509 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.559 5.091 -12.497 1.00 1.15 H new ATOM 0 HD3 LYS A 97 1.891 3.405 -12.156 1.00 1.15 H new ATOM 0 HE2 LYS A 97 -0.441 2.804 -12.511 1.00 1.56 H new ATOM 0 HE3 LYS A 97 -0.905 4.489 -12.644 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -0.141 2.823 -14.689 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 -0.361 4.505 -14.778 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 1.183 3.866 -14.479 1.00 2.15 H new ATOM 1207 N THR A 98 3.866 5.615 -7.280 1.00 0.40 N ATOM 1208 CA THR A 98 5.101 5.445 -6.538 1.00 0.46 C ATOM 1209 C THR A 98 4.902 5.710 -5.049 1.00 0.41 C ATOM 1210 O THR A 98 5.858 5.699 -4.269 1.00 0.48 O ATOM 1211 CB THR A 98 6.183 6.379 -7.090 1.00 0.59 C ATOM 1212 OG1 THR A 98 5.610 7.669 -7.362 1.00 1.01 O ATOM 1213 CG2 THR A 98 6.785 5.796 -8.356 1.00 1.15 C ATOM 0 H THR A 98 3.702 6.566 -7.610 1.00 0.40 H new ATOM 0 HA THR A 98 5.418 4.409 -6.658 1.00 0.46 H new ATOM 0 HB THR A 98 6.975 6.487 -6.349 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.302 8.267 -7.713 1.00 1.01 H new ATOM 0 HG21 THR A 98 7.552 6.470 -8.738 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.231 4.827 -8.134 1.00 1.15 H new ATOM 0 HG23 THR A 98 6.004 5.673 -9.107 1.00 1.15 H new ATOM 1221 N PHE A 99 3.660 5.956 -4.662 1.00 0.32 N ATOM 1222 CA PHE A 99 3.318 6.145 -3.263 1.00 0.32 C ATOM 1223 C PHE A 99 2.712 4.866 -2.701 1.00 0.30 C ATOM 1224 O PHE A 99 2.539 4.727 -1.489 1.00 0.31 O ATOM 1225 CB PHE A 99 2.354 7.317 -3.103 1.00 0.34 C ATOM 1226 CG PHE A 99 3.011 8.649 -3.325 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.733 9.267 -2.315 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.895 9.291 -4.551 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.335 10.489 -2.525 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.496 10.516 -4.765 1.00 0.81 C ATOM 1231 CZ PHE A 99 4.239 11.108 -3.721 1.00 0.47 C ATOM 0 H PHE A 99 2.869 6.029 -5.302 1.00 0.32 H new ATOM 0 HA PHE A 99 4.225 6.376 -2.704 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.530 7.202 -3.807 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.923 7.292 -2.102 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.825 8.785 -1.353 1.00 0.88 H new ATOM 0 HD2 PHE A 99 2.329 8.828 -5.345 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.889 10.956 -1.724 1.00 0.90 H new ATOM 0 HE2 PHE A 99 3.399 11.014 -5.718 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.731 12.056 -3.879 1.00 0.47 H new ATOM 1241 N ILE A 100 2.392 3.933 -3.600 1.00 0.32 N ATOM 1242 CA ILE A 100 1.848 2.639 -3.209 1.00 0.32 C ATOM 1243 C ILE A 100 2.962 1.800 -2.589 1.00 0.34 C ATOM 1244 O ILE A 100 3.681 1.087 -3.299 1.00 0.43 O ATOM 1245 CB ILE A 100 1.263 1.851 -4.408 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.322 2.722 -5.245 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.535 0.617 -3.895 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.272 2.009 -6.448 1.00 0.38 C ATOM 0 H ILE A 100 2.502 4.054 -4.607 1.00 0.32 H new ATOM 0 HA ILE A 100 1.041 2.828 -2.502 1.00 0.32 H new ATOM 0 HB ILE A 100 2.084 1.545 -5.056 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.489 3.078 -4.609 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.867 3.601 -5.589 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.123 0.061 -4.737 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.234 -0.017 -3.349 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.274 0.922 -3.231 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.927 2.692 -6.989 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.530 1.677 -7.107 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.846 1.146 -6.112 1.00 0.38 H new ATOM 1260 N ILE A 101 3.113 1.898 -1.272 1.00 0.32 N ATOM 1261 CA ILE A 101 4.249 1.287 -0.583 1.00 0.35 C ATOM 1262 C ILE A 101 4.088 -0.214 -0.422 1.00 0.36 C ATOM 1263 O ILE A 101 5.077 -0.937 -0.318 1.00 0.43 O ATOM 1264 CB ILE A 101 4.505 1.928 0.798 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.233 1.934 1.648 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.039 3.336 0.616 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.417 2.552 3.017 1.00 0.38 C ATOM 0 H ILE A 101 2.465 2.393 -0.659 1.00 0.32 H new ATOM 0 HA ILE A 101 5.113 1.475 -1.221 1.00 0.35 H new ATOM 0 HB ILE A 101 5.249 1.332 1.327 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.454 2.479 1.115 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.881 0.909 1.766 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.219 3.786 1.592 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.973 3.301 0.055 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.310 3.934 0.070 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.473 2.520 3.560 1.00 0.38 H new ATOM 0 HD12 ILE A 101 4.173 1.994 3.570 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.738 3.588 2.908 1.00 0.38 H new ATOM 1279 N GLY A 102 2.851 -0.686 -0.411 1.00 0.33 N ATOM 1280 CA GLY A 102 2.615 -2.110 -0.294 1.00 0.39 C ATOM 1281 C GLY A 102 1.143 -2.435 -0.255 1.00 0.35 C ATOM 1282 O GLY A 102 0.300 -1.554 -0.457 1.00 0.35 O ATOM 0 H GLY A 102 2.010 -0.113 -0.481 1.00 0.33 H new ATOM 0 HA2 GLY A 102 3.078 -2.625 -1.136 1.00 0.39 H new ATOM 0 HA3 GLY A 102 3.093 -2.484 0.611 1.00 0.39 H new ATOM 1286 N GLU A 103 0.822 -3.694 0.003 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.560 -4.111 0.138 1.00 0.42 C ATOM 1288 C GLU A 103 -0.822 -4.497 1.585 1.00 0.37 C ATOM 1289 O GLU A 103 0.064 -4.362 2.430 1.00 0.39 O ATOM 1290 CB GLU A 103 -0.894 -5.284 -0.795 1.00 0.52 C ATOM 1291 CG GLU A 103 -0.606 -5.014 -2.267 1.00 0.74 C ATOM 1292 CD GLU A 103 -1.305 -5.998 -3.200 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -1.028 -7.217 -3.123 1.00 1.85 O ATOM 1294 OE2 GLU A 103 -2.128 -5.551 -4.029 1.00 1.87 O ATOM 0 H GLU A 103 1.503 -4.444 0.123 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.202 -3.278 -0.148 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.324 -6.158 -0.479 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -1.949 -5.534 -0.683 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -0.922 -4.000 -2.514 1.00 0.74 H new ATOM 0 HG3 GLU A 103 0.470 -5.063 -2.436 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.021 -4.973 1.886 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.353 -5.317 3.263 1.00 0.42 C ATOM 1303 C LEU A 104 -2.227 -6.813 3.528 1.00 0.42 C ATOM 1304 O LEU A 104 -2.106 -7.620 2.609 1.00 0.48 O ATOM 1305 CB LEU A 104 -3.758 -4.832 3.649 1.00 0.51 C ATOM 1306 CG LEU A 104 -3.904 -3.324 3.900 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -2.842 -2.830 4.874 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -3.840 -2.549 2.591 1.00 1.33 C ATOM 0 H LEU A 104 -2.769 -5.128 1.210 1.00 0.40 H new ATOM 0 HA LEU A 104 -1.625 -4.800 3.888 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.450 -5.117 2.856 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.069 -5.362 4.549 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.882 -3.150 4.350 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -2.966 -1.759 5.036 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -2.947 -3.355 5.824 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -1.852 -3.022 4.461 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -3.946 -1.483 2.794 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -2.881 -2.733 2.106 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -4.647 -2.875 1.935 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.240 -7.163 4.805 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.142 -8.547 5.245 1.00 0.53 C ATOM 1322 C HIS A 105 -3.419 -9.303 4.894 1.00 0.60 C ATOM 1323 O HIS A 105 -4.456 -8.679 4.680 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.913 -8.566 6.768 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.654 -9.922 7.353 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -0.537 -10.687 7.343 1.00 1.82 N flip ATOM 1327 CD2 HIS A 105 -2.605 -10.643 8.047 1.00 1.68 C flip ATOM 1328 CE1 HIS A 105 -0.832 -11.842 8.018 1.00 2.41 C flip ATOM 1329 NE2 HIS A 105 -2.083 -11.793 8.437 1.00 2.37 N flip ATOM 0 H HIS A 105 -2.319 -6.492 5.569 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.308 -9.036 4.741 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -1.068 -7.919 7.001 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.787 -8.137 7.257 1.00 0.68 H new ATOM 0 HD2 HIS A 105 -3.617 -10.318 8.241 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -0.149 -12.663 8.181 1.00 2.41 H new ATOM 0 HE2 HIS A 105 -2.564 -12.518 8.970 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.325 -10.641 4.724 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.486 -11.547 4.741 1.00 1.00 C ATOM 1340 C PRO A 106 -5.459 -11.210 5.884 1.00 1.18 C ATOM 1341 O PRO A 106 -5.424 -11.804 6.964 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.832 -12.903 4.981 1.00 1.17 C ATOM 1343 CG PRO A 106 -2.505 -12.812 4.315 1.00 1.02 C ATOM 1344 CD PRO A 106 -2.073 -11.372 4.423 1.00 0.79 C ATOM 0 HA PRO A 106 -5.084 -11.490 3.832 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.726 -13.107 6.046 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -4.431 -13.710 4.560 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.783 -13.471 4.796 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -2.572 -13.120 3.272 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.333 -11.236 5.211 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.620 -11.021 3.496 1.00 0.79 H new ATOM 1352 N ASP A 107 -6.281 -10.221 5.613 1.00 1.16 N ATOM 1353 CA ASP A 107 -7.197 -9.618 6.566 1.00 1.47 C ATOM 1354 C ASP A 107 -8.025 -8.638 5.754 1.00 1.22 C ATOM 1355 O ASP A 107 -9.250 -8.550 5.862 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.428 -8.882 7.677 1.00 1.90 C ATOM 1357 CG ASP A 107 -7.315 -8.525 8.852 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -8.315 -7.808 8.646 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -7.031 -8.974 9.975 1.00 3.27 O ATOM 0 H ASP A 107 -6.335 -9.795 4.688 1.00 1.16 H new ATOM 0 HA ASP A 107 -7.815 -10.367 7.061 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.606 -9.508 8.023 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -5.986 -7.973 7.269 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.306 -7.938 4.885 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.899 -7.041 3.906 1.00 1.11 C ATOM 1366 C ASP A 108 -7.523 -7.496 2.500 1.00 1.14 C ATOM 1367 O ASP A 108 -8.351 -7.478 1.588 1.00 1.53 O ATOM 1368 CB ASP A 108 -7.395 -5.617 4.125 1.00 1.39 C ATOM 1369 CG ASP A 108 -7.804 -4.685 2.990 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.046 -4.565 2.006 1.00 3.44 O ATOM 1371 OD2 ASP A 108 -8.877 -4.046 3.104 1.00 3.12 O ATOM 0 H ASP A 108 -6.288 -7.979 4.841 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.983 -7.061 4.022 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -7.787 -5.235 5.067 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.309 -5.626 4.213 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.245 -7.881 2.348 1.00 0.99 N ATOM 1377 CA ARG A 109 -5.711 -8.400 1.087 1.00 1.18 C ATOM 1378 C ARG A 109 -6.694 -9.382 0.479 1.00 1.48 C ATOM 1379 O ARG A 109 -6.979 -10.401 1.109 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.382 -9.117 1.324 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.697 -9.532 0.036 1.00 1.45 C ATOM 1382 CD ARG A 109 -2.629 -10.582 0.267 1.00 1.73 C ATOM 1383 NE ARG A 109 -3.202 -11.895 0.567 1.00 2.25 N ATOM 1384 CZ ARG A 109 -2.590 -13.055 0.317 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -1.371 -13.071 -0.224 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -3.190 -14.197 0.636 1.00 3.35 N ATOM 0 H ARG A 109 -5.556 -7.839 3.099 1.00 0.99 H new ATOM 0 HA ARG A 109 -5.553 -7.561 0.410 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -3.718 -8.463 1.888 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.556 -10.001 1.938 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -4.441 -9.920 -0.660 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.248 -8.656 -0.433 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -1.997 -10.657 -0.618 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -1.987 -10.270 1.091 1.00 1.73 H new ATOM 0 HE ARG A 109 -4.128 -11.926 0.994 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -0.901 -12.194 -0.449 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -0.908 -13.960 -0.413 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -4.113 -14.184 1.069 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -2.727 -15.086 0.447 1.00 3.35 H new