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 Set 1.1: A 42 HIS : no HE2:sc= -0.723 K(o=-0.85,f=-4.3!) USER MOD Set 1.2: A 45 SER OG : rot 180:sc= -0.132 USER MOD Single : A 30 LYS NZ :NH3+ 161:sc= -0.0324 (180deg=-0.29) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -80:sc= 0.892 USER MOD Single : A 38 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.92) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -12.2! C(o=-12!,f=-11!) USER MOD Single : A 41 ASN : amide:sc= -0.19 K(o=-0.19,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -6:sc= 0.225! USER MOD Single : A 51 HIS : no HD1:sc= -2.98! K(o=-3!,f=-0.035) USER MOD Single : A 52 HIS : no HE2:sc= 0.162 K(o=0.16,f=-4.4!) USER MOD Single : A 53 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.987) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 1.14 (180deg=1.05) USER MOD Single : A 64 HIS : no HE2:sc= -0.405 X(o=-0.4,f=-0.097) USER MOD Single : A 74 GLN : amide:sc= -0.0137 K(o=-0.014,f=-0.52) USER MOD Single : A 80 THR OG1 : rot -27:sc= 0.166 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HE2:sc= -0.0668 K(o=-0.067,f=-0.94) USER MOD Single : A 89 SER OG : rot 94:sc= 1.28 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot -104:sc= 0.497 USER MOD Single : A 97 LYS NZ :NH3+ 132:sc= 1.21 (180deg=0.0881) USER MOD Single : A 98 THR OG1 : rot -37:sc= 0.593 USER MOD Single : A 105 HIS : no HD1:sc= -4.19! C(o=-4.2!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 4.168 -8.913 -3.337 1.00 1.65 N ATOM 109 CA VAL A 29 3.859 -7.587 -2.785 1.00 1.29 C ATOM 110 C VAL A 29 4.038 -7.569 -1.269 1.00 1.04 C ATOM 111 O VAL A 29 3.611 -8.496 -0.578 1.00 1.10 O ATOM 112 CB VAL A 29 2.399 -7.181 -3.099 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.133 -5.739 -2.684 1.00 1.70 C ATOM 114 CG2 VAL A 29 2.076 -7.377 -4.574 1.00 1.82 C ATOM 0 HA VAL A 29 4.549 -6.883 -3.249 1.00 1.29 H new ATOM 0 HB VAL A 29 1.745 -7.833 -2.520 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.100 -5.478 -2.915 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.303 -5.631 -1.613 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.805 -5.074 -3.227 1.00 1.70 H new ATOM 0 HG21 VAL A 29 1.043 -7.083 -4.763 1.00 1.82 H new ATOM 0 HG22 VAL A 29 2.744 -6.763 -5.178 1.00 1.82 H new ATOM 0 HG23 VAL A 29 2.209 -8.426 -4.839 1.00 1.82 H new ATOM 124 N LYS A 30 4.669 -6.519 -0.756 1.00 0.90 N ATOM 125 CA LYS A 30 4.886 -6.412 0.679 1.00 0.79 C ATOM 126 C LYS A 30 3.571 -6.137 1.393 1.00 0.63 C ATOM 127 O LYS A 30 2.716 -5.413 0.874 1.00 0.66 O ATOM 128 CB LYS A 30 5.927 -5.339 1.034 1.00 0.87 C ATOM 129 CG LYS A 30 7.354 -5.716 0.657 1.00 1.26 C ATOM 130 CD LYS A 30 7.600 -5.591 -0.837 1.00 2.11 C ATOM 131 CE LYS A 30 8.896 -6.272 -1.245 1.00 2.93 C ATOM 132 NZ LYS A 30 8.808 -7.751 -1.117 1.00 3.71 N ATOM 0 H LYS A 30 5.034 -5.740 -1.305 1.00 0.90 H new ATOM 0 HA LYS A 30 5.285 -7.368 1.018 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.662 -4.409 0.531 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.884 -5.145 2.106 1.00 0.87 H new ATOM 0 HG2 LYS A 30 8.052 -5.074 1.194 1.00 1.26 H new ATOM 0 HG3 LYS A 30 7.554 -6.740 0.973 1.00 1.26 H new ATOM 0 HD2 LYS A 30 6.767 -6.034 -1.383 1.00 2.11 H new ATOM 0 HD3 LYS A 30 7.638 -4.537 -1.114 1.00 2.11 H new ATOM 0 HE2 LYS A 30 9.135 -6.010 -2.276 1.00 2.93 H new ATOM 0 HE3 LYS A 30 9.712 -5.902 -0.625 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 9.556 -8.194 -1.688 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 8.928 -8.021 -0.120 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 7.878 -8.074 -1.454 1.00 3.71 H new ATOM 146 N TYR A 31 3.415 -6.694 2.580 1.00 0.56 N ATOM 147 CA TYR A 31 2.157 -6.586 3.298 1.00 0.49 C ATOM 148 C TYR A 31 2.343 -5.874 4.627 1.00 0.50 C ATOM 149 O TYR A 31 3.439 -5.856 5.186 1.00 0.64 O ATOM 150 CB TYR A 31 1.564 -7.973 3.556 1.00 0.56 C ATOM 151 CG TYR A 31 1.469 -8.844 2.324 1.00 0.63 C ATOM 152 CD1 TYR A 31 0.618 -8.508 1.280 1.00 0.61 C ATOM 153 CD2 TYR A 31 2.236 -9.991 2.200 1.00 0.81 C ATOM 154 CE1 TYR A 31 0.533 -9.295 0.146 1.00 0.75 C ATOM 155 CE2 TYR A 31 2.162 -10.784 1.072 1.00 0.94 C ATOM 156 CZ TYR A 31 1.282 -10.465 0.070 1.00 0.89 C ATOM 157 OH TYR A 31 1.227 -11.219 -1.086 1.00 1.06 O ATOM 0 H TYR A 31 4.139 -7.223 3.066 1.00 0.56 H new ATOM 0 HA TYR A 31 1.476 -6.006 2.676 1.00 0.49 H new ATOM 0 HB2 TYR A 31 2.173 -8.483 4.302 1.00 0.56 H new ATOM 0 HB3 TYR A 31 0.568 -7.857 3.983 1.00 0.56 H new ATOM 0 HD1 TYR A 31 0.012 -7.617 1.355 1.00 0.61 H new ATOM 0 HD2 TYR A 31 2.905 -10.270 3.001 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.109 -9.004 -0.673 1.00 0.75 H new ATOM 0 HE2 TYR A 31 2.796 -11.654 0.979 1.00 0.94 H new ATOM 0 HH TYR A 31 1.803 -12.006 -0.991 1.00 1.06 H new ATOM 167 N TYR A 32 1.272 -5.281 5.110 1.00 0.43 N ATOM 168 CA TYR A 32 1.196 -4.809 6.479 1.00 0.46 C ATOM 169 C TYR A 32 -0.022 -5.459 7.133 1.00 0.53 C ATOM 170 O TYR A 32 -0.519 -6.456 6.620 1.00 0.89 O ATOM 171 CB TYR A 32 1.114 -3.275 6.520 1.00 0.46 C ATOM 172 CG TYR A 32 2.403 -2.592 6.100 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.408 -2.351 7.030 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.629 -2.208 4.782 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.600 -1.754 6.661 1.00 1.20 C ATOM 176 CE2 TYR A 32 3.818 -1.605 4.405 1.00 1.03 C ATOM 177 CZ TYR A 32 4.801 -1.383 5.348 1.00 0.81 C ATOM 178 OH TYR A 32 5.995 -0.795 4.975 1.00 0.96 O ATOM 0 H TYR A 32 0.427 -5.112 4.564 1.00 0.43 H new ATOM 0 HA TYR A 32 2.095 -5.087 7.030 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.306 -2.944 5.867 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.856 -2.959 7.531 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.255 -2.635 8.061 1.00 1.09 H new ATOM 0 HD2 TYR A 32 1.864 -2.383 4.040 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.370 -1.579 7.398 1.00 1.20 H new ATOM 0 HE2 TYR A 32 3.975 -1.310 3.378 1.00 1.03 H new ATOM 0 HH TYR A 32 5.976 -0.596 4.016 1.00 0.96 H new ATOM 188 N THR A 33 -0.492 -4.939 8.250 1.00 0.48 N ATOM 189 CA THR A 33 -1.712 -5.448 8.871 1.00 0.57 C ATOM 190 C THR A 33 -2.736 -4.339 9.044 1.00 0.56 C ATOM 191 O THR A 33 -2.382 -3.160 9.012 1.00 0.60 O ATOM 192 CB THR A 33 -1.432 -6.079 10.252 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.677 -5.168 11.058 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.673 -7.393 10.127 1.00 0.82 C ATOM 0 H THR A 33 -0.053 -4.166 8.750 1.00 0.48 H new ATOM 0 HA THR A 33 -2.104 -6.215 8.203 1.00 0.57 H new ATOM 0 HB THR A 33 -2.393 -6.286 10.723 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.269 -5.214 10.806 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.495 -7.806 11.120 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.261 -8.099 9.541 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.281 -7.216 9.631 1.00 0.82 H new ATOM 202 N LEU A 34 -4.004 -4.712 9.212 1.00 0.60 N ATOM 203 CA LEU A 34 -5.032 -3.752 9.590 1.00 0.64 C ATOM 204 C LEU A 34 -4.539 -2.944 10.793 1.00 0.58 C ATOM 205 O LEU A 34 -4.632 -1.721 10.851 1.00 0.59 O ATOM 206 CB LEU A 34 -6.340 -4.486 9.920 1.00 0.86 C ATOM 207 CG LEU A 34 -7.466 -3.604 10.470 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.952 -2.610 9.422 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.620 -4.457 10.975 1.00 1.46 C ATOM 0 H LEU A 34 -4.340 -5.668 9.092 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.229 -3.071 8.762 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.697 -4.981 9.017 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.125 -5.268 10.648 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.064 -3.036 11.309 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.751 -1.999 9.843 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -7.125 -1.968 9.119 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -8.328 -3.151 8.554 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.408 -3.811 11.361 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.013 -5.059 10.156 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.267 -5.113 11.770 1.00 1.46 H new ATOM 221 N GLU A 35 -3.959 -3.712 11.727 1.00 0.65 N ATOM 222 CA GLU A 35 -3.546 -3.256 13.055 1.00 0.77 C ATOM 223 C GLU A 35 -2.582 -2.082 12.991 1.00 0.73 C ATOM 224 O GLU A 35 -2.698 -1.123 13.752 1.00 0.88 O ATOM 225 CB GLU A 35 -2.872 -4.421 13.783 1.00 0.94 C ATOM 226 CG GLU A 35 -3.754 -5.650 13.924 1.00 1.41 C ATOM 227 CD GLU A 35 -2.981 -6.870 14.385 1.00 1.91 C ATOM 228 OE1 GLU A 35 -2.473 -6.859 15.527 1.00 2.34 O ATOM 229 OE2 GLU A 35 -2.889 -7.847 13.614 1.00 2.56 O ATOM 0 H GLU A 35 -3.760 -4.700 11.570 1.00 0.65 H new ATOM 0 HA GLU A 35 -4.436 -2.918 13.587 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -1.965 -4.697 13.246 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -2.567 -4.089 14.775 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -4.553 -5.440 14.635 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -4.228 -5.865 12.966 1.00 1.41 H new ATOM 236 N GLU A 36 -1.600 -2.199 12.108 1.00 0.63 N ATOM 237 CA GLU A 36 -0.548 -1.206 11.998 1.00 0.74 C ATOM 238 C GLU A 36 -0.928 -0.126 11.006 1.00 0.67 C ATOM 239 O GLU A 36 -0.370 0.973 11.011 1.00 0.82 O ATOM 240 CB GLU A 36 0.760 -1.876 11.608 1.00 0.85 C ATOM 241 CG GLU A 36 0.755 -2.536 10.240 1.00 0.95 C ATOM 242 CD GLU A 36 1.925 -3.478 10.074 1.00 1.24 C ATOM 243 OE1 GLU A 36 3.072 -2.996 10.031 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.697 -4.699 9.973 1.00 1.67 O ATOM 0 H GLU A 36 -1.513 -2.978 11.455 1.00 0.63 H new ATOM 0 HA GLU A 36 -0.414 -0.727 12.968 1.00 0.74 H new ATOM 0 HB2 GLU A 36 1.555 -1.131 11.633 1.00 0.85 H new ATOM 0 HB3 GLU A 36 1.004 -2.628 12.358 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.177 -3.084 10.103 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.791 -1.770 9.465 1.00 0.95 H new ATOM 251 N ILE A 37 -1.890 -0.452 10.154 1.00 0.52 N ATOM 252 CA ILE A 37 -2.480 0.518 9.248 1.00 0.50 C ATOM 253 C ILE A 37 -3.631 1.233 9.978 1.00 0.53 C ATOM 254 O ILE A 37 -4.560 1.774 9.389 1.00 0.72 O ATOM 255 CB ILE A 37 -2.925 -0.156 7.914 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.699 -0.765 7.228 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.602 0.829 6.964 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.024 -1.535 5.971 1.00 0.72 C ATOM 0 H ILE A 37 -2.280 -1.391 10.073 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.741 1.267 8.962 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.655 -0.928 8.158 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.998 0.033 6.983 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.194 -1.429 7.930 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.893 0.311 6.050 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -4.488 1.246 7.443 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.909 1.634 6.720 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.106 -1.936 5.542 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -2.701 -2.355 6.211 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.501 -0.871 5.250 1.00 0.72 H new ATOM 270 N GLN A 38 -3.539 1.228 11.301 1.00 0.48 N ATOM 271 CA GLN A 38 -4.402 2.044 12.140 1.00 0.52 C ATOM 272 C GLN A 38 -3.583 2.961 13.035 1.00 0.54 C ATOM 273 O GLN A 38 -3.930 4.117 13.237 1.00 0.64 O ATOM 274 CB GLN A 38 -5.324 1.167 12.979 1.00 0.56 C ATOM 275 CG GLN A 38 -6.697 1.015 12.350 1.00 0.78 C ATOM 276 CD GLN A 38 -7.468 2.328 12.325 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.273 2.610 13.211 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.193 3.164 11.329 1.00 0.74 N ATOM 0 H GLN A 38 -2.868 0.661 11.819 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.015 2.665 11.486 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -4.872 0.183 13.104 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -5.428 1.599 13.974 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.589 0.640 11.332 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.268 0.271 12.905 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.520 2.898 10.611 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -7.655 4.072 11.283 1.00 0.74 H new ATOM 287 N LYS A 39 -2.454 2.442 13.519 1.00 0.54 N ATOM 288 CA LYS A 39 -1.675 3.093 14.575 1.00 0.62 C ATOM 289 C LYS A 39 -0.824 4.226 14.004 1.00 0.58 C ATOM 290 O LYS A 39 -0.030 4.842 14.710 1.00 0.66 O ATOM 291 CB LYS A 39 -0.780 2.061 15.283 1.00 0.77 C ATOM 292 CG LYS A 39 0.267 1.417 14.388 1.00 1.28 C ATOM 293 CD LYS A 39 1.080 0.379 15.148 1.00 1.57 C ATOM 294 CE LYS A 39 0.223 -0.809 15.583 1.00 2.08 C ATOM 295 NZ LYS A 39 1.002 -1.796 16.379 1.00 2.52 N ATOM 0 H LYS A 39 -2.054 1.562 13.192 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.368 3.520 15.300 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.276 2.548 16.118 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -1.412 1.278 15.704 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -0.221 0.946 13.534 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.932 2.184 13.992 1.00 1.28 H new ATOM 0 HD2 LYS A 39 1.897 0.026 14.519 1.00 1.57 H new ATOM 0 HD3 LYS A 39 1.531 0.842 16.026 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -0.620 -0.451 16.174 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -0.191 -1.299 14.702 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 0.384 -2.586 16.654 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 1.792 -2.158 15.807 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 1.376 -1.335 17.233 1.00 2.52 H new ATOM 309 N HIS A 40 -0.988 4.465 12.703 1.00 0.53 N ATOM 310 CA HIS A 40 -0.224 5.489 11.991 1.00 0.56 C ATOM 311 C HIS A 40 -1.024 6.786 11.916 1.00 0.65 C ATOM 312 O HIS A 40 -0.595 7.762 11.306 1.00 0.93 O ATOM 313 CB HIS A 40 0.127 5.001 10.569 1.00 0.56 C ATOM 314 CG HIS A 40 -1.057 4.771 9.699 1.00 0.93 C ATOM 315 ND1 HIS A 40 -1.316 3.573 9.084 1.00 1.08 N ATOM 316 CD2 HIS A 40 -2.035 5.611 9.312 1.00 1.39 C ATOM 317 CE1 HIS A 40 -2.406 3.691 8.350 1.00 1.59 C ATOM 318 NE2 HIS A 40 -2.861 4.921 8.473 1.00 1.80 N ATOM 0 H HIS A 40 -1.650 3.958 12.116 1.00 0.53 H new ATOM 0 HA HIS A 40 0.701 5.677 12.537 1.00 0.56 H new ATOM 0 HB2 HIS A 40 0.777 5.736 10.094 1.00 0.56 H new ATOM 0 HB3 HIS A 40 0.695 4.074 10.644 1.00 0.56 H new ATOM 0 HD1 HIS A 40 -0.756 2.726 9.179 1.00 1.08 H new ATOM 0 HD2 HIS A 40 -2.146 6.643 9.611 1.00 1.39 H new ATOM 0 HE1 HIS A 40 -2.850 2.911 7.750 1.00 1.59 H new ATOM 327 N ASN A 41 -2.200 6.752 12.528 1.00 0.56 N ATOM 328 CA ASN A 41 -3.204 7.818 12.410 1.00 0.64 C ATOM 329 C ASN A 41 -2.866 9.004 13.315 1.00 0.82 C ATOM 330 O ASN A 41 -3.740 9.588 13.954 1.00 1.20 O ATOM 331 CB ASN A 41 -4.579 7.258 12.792 1.00 0.69 C ATOM 332 CG ASN A 41 -4.698 6.885 14.268 1.00 1.20 C ATOM 333 OD1 ASN A 41 -3.713 6.523 14.915 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.907 6.968 14.808 1.00 1.74 N ATOM 0 H ASN A 41 -2.493 5.980 13.127 1.00 0.56 H new ATOM 0 HA ASN A 41 -3.212 8.171 11.379 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -5.343 7.997 12.550 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.784 6.376 12.185 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -6.045 6.728 15.790 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -6.699 7.272 14.241 1.00 1.74 H new ATOM 341 N HIS A 42 -1.593 9.361 13.340 1.00 0.73 N ATOM 342 CA HIS A 42 -1.079 10.297 14.326 1.00 0.97 C ATOM 343 C HIS A 42 -0.083 11.257 13.693 1.00 1.06 C ATOM 344 O HIS A 42 0.444 10.966 12.627 1.00 1.54 O ATOM 345 CB HIS A 42 -0.416 9.539 15.489 1.00 1.05 C ATOM 346 CG HIS A 42 0.694 8.595 15.090 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.456 8.739 13.943 1.00 0.81 N ATOM 348 CD2 HIS A 42 1.176 7.492 15.713 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.353 7.771 13.884 1.00 0.87 C ATOM 350 NE2 HIS A 42 2.202 7.004 14.942 1.00 1.08 N ATOM 0 H HIS A 42 -0.893 9.014 12.684 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.917 10.876 14.714 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.016 10.267 16.195 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.183 8.971 16.016 1.00 1.05 H new ATOM 0 HD1 HIS A 42 1.342 9.479 13.250 1.00 0.81 H new ATOM 0 HD2 HIS A 42 0.819 7.075 16.643 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.085 7.633 13.102 1.00 0.87 H new ATOM 359 N SER A 43 0.216 12.340 14.416 1.00 1.01 N ATOM 360 CA SER A 43 1.095 13.430 13.954 1.00 1.12 C ATOM 361 C SER A 43 2.281 12.922 13.115 1.00 0.97 C ATOM 362 O SER A 43 2.561 13.427 12.031 1.00 1.05 O ATOM 363 CB SER A 43 1.617 14.201 15.179 1.00 1.34 C ATOM 364 OG SER A 43 2.465 15.272 14.802 1.00 2.00 O ATOM 0 H SER A 43 -0.150 12.491 15.356 1.00 1.01 H new ATOM 0 HA SER A 43 0.506 14.081 13.308 1.00 1.12 H new ATOM 0 HB2 SER A 43 0.774 14.588 15.751 1.00 1.34 H new ATOM 0 HB3 SER A 43 2.160 13.520 15.833 1.00 1.34 H new ATOM 0 HG SER A 43 2.777 15.740 15.604 1.00 2.00 H new ATOM 370 N LYS A 44 2.952 11.896 13.643 1.00 0.89 N ATOM 371 CA LYS A 44 4.221 11.403 13.102 1.00 0.89 C ATOM 372 C LYS A 44 4.088 10.759 11.723 1.00 0.77 C ATOM 373 O LYS A 44 5.102 10.475 11.084 1.00 0.94 O ATOM 374 CB LYS A 44 4.845 10.386 14.067 1.00 1.01 C ATOM 375 CG LYS A 44 5.526 11.000 15.281 1.00 1.53 C ATOM 376 CD LYS A 44 4.549 11.291 16.413 1.00 2.16 C ATOM 377 CE LYS A 44 5.277 11.855 17.623 1.00 2.63 C ATOM 378 NZ LYS A 44 4.433 11.856 18.849 1.00 3.26 N ATOM 0 H LYS A 44 2.629 11.381 14.462 1.00 0.89 H new ATOM 0 HA LYS A 44 4.861 12.278 12.990 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.066 9.705 14.410 1.00 1.01 H new ATOM 0 HB3 LYS A 44 5.575 9.788 13.521 1.00 1.01 H new ATOM 0 HG2 LYS A 44 6.301 10.323 15.640 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.022 11.925 14.986 1.00 1.53 H new ATOM 0 HD2 LYS A 44 3.794 12.000 16.074 1.00 2.16 H new ATOM 0 HD3 LYS A 44 4.025 10.376 16.692 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.177 11.269 17.807 1.00 2.63 H new ATOM 0 HE3 LYS A 44 5.599 12.874 17.407 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 4.976 12.250 19.644 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 3.586 12.437 18.687 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 4.147 10.882 19.074 1.00 3.26 H new ATOM 392 N SER A 45 2.869 10.501 11.261 1.00 0.63 N ATOM 393 CA SER A 45 2.684 9.825 9.983 1.00 0.62 C ATOM 394 C SER A 45 1.323 10.116 9.378 1.00 0.65 C ATOM 395 O SER A 45 0.454 10.686 10.024 1.00 1.05 O ATOM 396 CB SER A 45 2.840 8.311 10.131 1.00 0.65 C ATOM 397 OG SER A 45 4.133 7.972 10.580 1.00 1.31 O ATOM 0 H SER A 45 2.005 10.746 11.745 1.00 0.63 H new ATOM 0 HA SER A 45 3.456 10.212 9.318 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.098 7.934 10.834 1.00 0.65 H new ATOM 0 HB3 SER A 45 2.647 7.828 9.173 1.00 0.65 H new ATOM 0 HG SER A 45 4.204 6.998 10.667 1.00 1.31 H new ATOM 403 N THR A 46 1.140 9.691 8.140 1.00 0.43 N ATOM 404 CA THR A 46 -0.160 9.727 7.502 1.00 0.42 C ATOM 405 C THR A 46 -0.231 8.665 6.407 1.00 0.39 C ATOM 406 O THR A 46 0.280 8.865 5.307 1.00 0.47 O ATOM 407 CB THR A 46 -0.472 11.111 6.889 1.00 0.51 C ATOM 408 OG1 THR A 46 -0.362 12.127 7.888 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.875 11.128 6.294 1.00 0.64 C ATOM 0 H THR A 46 1.885 9.314 7.554 1.00 0.43 H new ATOM 0 HA THR A 46 -0.904 9.526 8.273 1.00 0.42 H new ATOM 0 HB THR A 46 0.250 11.306 6.096 1.00 0.51 H new ATOM 0 HG1 THR A 46 -0.209 11.711 8.762 1.00 0.77 H new ATOM 0 HG21 THR A 46 -2.077 12.110 5.867 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.948 10.371 5.513 1.00 0.64 H new ATOM 0 HG23 THR A 46 -2.604 10.915 7.076 1.00 0.64 H new ATOM 417 N TRP A 47 -0.817 7.518 6.722 1.00 0.37 N ATOM 418 CA TRP A 47 -1.020 6.469 5.725 1.00 0.36 C ATOM 419 C TRP A 47 -2.507 6.322 5.415 1.00 0.37 C ATOM 420 O TRP A 47 -3.356 6.739 6.211 1.00 0.50 O ATOM 421 CB TRP A 47 -0.495 5.106 6.187 1.00 0.37 C ATOM 422 CG TRP A 47 0.988 4.987 6.355 1.00 0.36 C ATOM 423 CD1 TRP A 47 1.953 5.898 6.035 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.670 3.852 6.888 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.196 5.392 6.353 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.044 4.131 6.863 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.242 2.611 7.365 1.00 0.40 C ATOM 428 CZ2 TRP A 47 3.993 3.226 7.329 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.182 1.714 7.822 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.543 2.017 7.789 1.00 0.47 C ATOM 0 H TRP A 47 -1.160 7.288 7.655 1.00 0.37 H new ATOM 0 HA TRP A 47 -0.461 6.773 4.840 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.967 4.862 7.139 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.819 4.353 5.468 1.00 0.37 H new ATOM 0 HD1 TRP A 47 1.771 6.869 5.599 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.084 5.878 6.228 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.192 2.359 7.375 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.046 3.468 7.328 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.860 0.760 8.212 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.257 1.283 8.133 1.00 0.47 H new ATOM 441 N LEU A 48 -2.825 5.692 4.298 1.00 0.31 N ATOM 442 CA LEU A 48 -4.210 5.428 3.953 1.00 0.31 C ATOM 443 C LEU A 48 -4.304 4.215 3.045 1.00 0.28 C ATOM 444 O LEU A 48 -3.304 3.549 2.790 1.00 0.29 O ATOM 445 CB LEU A 48 -4.860 6.637 3.264 1.00 0.37 C ATOM 446 CG LEU A 48 -4.243 7.039 1.915 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.272 7.756 1.059 1.00 0.60 C ATOM 448 CD2 LEU A 48 -3.024 7.933 2.120 1.00 0.55 C ATOM 0 H LEU A 48 -2.145 5.355 3.616 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.748 5.233 4.881 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.917 6.421 3.110 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.804 7.491 3.939 1.00 0.37 H new ATOM 0 HG LEU A 48 -3.924 6.131 1.404 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -4.822 8.035 0.106 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.120 7.095 0.880 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.614 8.653 1.576 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.605 8.204 1.151 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -3.321 8.836 2.653 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.274 7.398 2.703 1.00 0.55 H new ATOM 460 N ILE A 49 -5.507 3.930 2.584 1.00 0.34 N ATOM 461 CA ILE A 49 -5.748 2.899 1.588 1.00 0.36 C ATOM 462 C ILE A 49 -6.690 3.487 0.541 1.00 0.42 C ATOM 463 O ILE A 49 -7.407 4.439 0.834 1.00 0.65 O ATOM 464 CB ILE A 49 -6.391 1.637 2.225 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.608 1.189 3.463 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.463 0.498 1.219 1.00 0.49 C ATOM 467 CD1 ILE A 49 -6.295 0.099 4.258 1.00 0.46 C ATOM 0 H ILE A 49 -6.353 4.410 2.892 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.803 2.591 1.141 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.404 1.901 2.529 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.625 0.835 3.152 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.446 2.051 4.110 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.917 -0.374 1.689 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.066 0.805 0.364 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.458 0.246 0.882 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.681 -0.166 5.119 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -7.266 0.456 4.601 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.433 -0.779 3.627 1.00 0.46 H new ATOM 479 N LEU A 50 -6.661 2.974 -0.678 1.00 0.41 N ATOM 480 CA LEU A 50 -7.570 3.463 -1.713 1.00 0.53 C ATOM 481 C LEU A 50 -8.440 2.353 -2.275 1.00 0.78 C ATOM 482 O LEU A 50 -9.601 2.568 -2.601 1.00 1.77 O ATOM 483 CB LEU A 50 -6.801 4.148 -2.842 1.00 0.49 C ATOM 484 CG LEU A 50 -6.448 5.612 -2.579 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.891 6.257 -3.841 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.677 6.371 -2.084 1.00 0.99 C ATOM 0 H LEU A 50 -6.030 2.230 -0.977 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.224 4.194 -1.238 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.880 3.594 -3.024 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.394 4.090 -3.755 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.682 5.654 -1.805 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.644 7.299 -3.638 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.993 5.726 -4.155 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.637 6.208 -4.634 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.412 7.412 -1.900 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.462 6.324 -2.839 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.035 5.919 -1.159 1.00 0.99 H new ATOM 498 N HIS A 51 -7.861 1.173 -2.412 1.00 0.67 N ATOM 499 CA HIS A 51 -8.553 0.040 -3.038 1.00 0.73 C ATOM 500 C HIS A 51 -8.258 -1.253 -2.275 1.00 0.82 C ATOM 501 O HIS A 51 -9.145 -2.064 -2.034 1.00 1.80 O ATOM 502 CB HIS A 51 -8.131 -0.105 -4.515 1.00 0.79 C ATOM 503 CG HIS A 51 -8.831 0.828 -5.476 1.00 1.23 C ATOM 504 ND1 HIS A 51 -9.155 0.467 -6.763 1.00 1.87 N ATOM 505 CD2 HIS A 51 -9.267 2.103 -5.336 1.00 1.56 C ATOM 506 CE1 HIS A 51 -9.750 1.477 -7.370 1.00 2.45 C ATOM 507 NE2 HIS A 51 -9.838 2.487 -6.526 1.00 2.30 N ATOM 0 H HIS A 51 -6.912 0.966 -2.100 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.625 0.231 -3.001 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -7.056 0.063 -4.588 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -8.316 -1.132 -4.830 1.00 0.79 H new ATOM 0 HD2 HIS A 51 -9.181 2.710 -4.447 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -10.106 1.477 -8.390 1.00 2.45 H new ATOM 0 HE2 HIS A 51 -10.257 3.396 -6.722 1.00 2.30 H new ATOM 516 N HIS A 52 -6.986 -1.459 -1.958 1.00 0.46 N ATOM 517 CA HIS A 52 -6.538 -2.580 -1.121 1.00 0.42 C ATOM 518 C HIS A 52 -5.048 -2.460 -0.869 1.00 0.43 C ATOM 519 O HIS A 52 -4.418 -3.378 -0.349 1.00 0.81 O ATOM 520 CB HIS A 52 -6.845 -3.954 -1.729 1.00 0.58 C ATOM 521 CG HIS A 52 -6.494 -4.097 -3.164 1.00 1.12 C ATOM 522 ND1 HIS A 52 -5.462 -4.870 -3.639 1.00 1.75 N ATOM 523 CD2 HIS A 52 -7.111 -3.590 -4.230 1.00 1.81 C ATOM 524 CE1 HIS A 52 -5.473 -4.835 -4.959 1.00 2.34 C ATOM 525 NE2 HIS A 52 -6.474 -4.059 -5.349 1.00 2.36 N ATOM 0 H HIS A 52 -6.228 -0.854 -2.273 1.00 0.46 H new ATOM 0 HA HIS A 52 -7.096 -2.517 -0.187 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.308 -4.714 -1.162 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -7.909 -4.159 -1.608 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -4.796 -5.387 -3.065 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -7.963 -2.926 -4.215 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -4.783 -5.351 -5.610 1.00 2.34 H new ATOM 534 N LYS A 53 -4.500 -1.312 -1.264 1.00 0.33 N ATOM 535 CA LYS A 53 -3.080 -1.035 -1.117 1.00 0.36 C ATOM 536 C LYS A 53 -2.899 0.104 -0.129 1.00 0.29 C ATOM 537 O LYS A 53 -3.666 1.066 -0.162 1.00 0.32 O ATOM 538 CB LYS A 53 -2.450 -0.645 -2.466 1.00 0.45 C ATOM 539 CG LYS A 53 -2.610 -1.686 -3.556 1.00 0.66 C ATOM 540 CD LYS A 53 -2.165 -1.138 -4.896 1.00 0.95 C ATOM 541 CE LYS A 53 -2.231 -2.188 -5.987 1.00 1.25 C ATOM 542 NZ LYS A 53 -1.287 -3.318 -5.757 1.00 1.76 N ATOM 0 H LYS A 53 -5.029 -0.553 -1.693 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.584 -1.935 -0.755 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -2.896 0.290 -2.805 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.387 -0.455 -2.315 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -2.024 -2.571 -3.308 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -3.652 -2.000 -3.615 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -2.795 -0.291 -5.169 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -1.145 -0.763 -4.814 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -3.247 -2.577 -6.050 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -2.007 -1.723 -6.947 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 -0.856 -3.600 -6.661 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 -0.542 -3.019 -5.096 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 -1.804 -4.125 -5.353 1.00 1.76 H new ATOM 556 N VAL A 54 -1.909 0.008 0.737 1.00 0.27 N ATOM 557 CA VAL A 54 -1.636 1.074 1.679 1.00 0.25 C ATOM 558 C VAL A 54 -0.769 2.146 1.010 1.00 0.23 C ATOM 559 O VAL A 54 0.205 1.838 0.319 1.00 0.25 O ATOM 560 CB VAL A 54 -0.960 0.538 2.969 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.315 -0.227 2.654 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.677 1.678 3.935 1.00 0.32 C ATOM 0 H VAL A 54 -1.283 -0.794 0.807 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.585 1.520 1.977 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.653 -0.157 3.443 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.761 -0.588 3.581 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.081 -1.075 2.010 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.018 0.432 2.145 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.203 1.284 4.834 1.00 0.32 H new ATOM 0 HG22 VAL A 54 -0.012 2.400 3.461 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.613 2.168 4.203 1.00 0.32 H new ATOM 572 N TYR A 55 -1.163 3.397 1.170 1.00 0.23 N ATOM 573 CA TYR A 55 -0.415 4.513 0.619 1.00 0.25 C ATOM 574 C TYR A 55 0.161 5.343 1.748 1.00 0.27 C ATOM 575 O TYR A 55 -0.236 5.186 2.905 1.00 0.35 O ATOM 576 CB TYR A 55 -1.296 5.415 -0.260 1.00 0.27 C ATOM 577 CG TYR A 55 -1.837 4.769 -1.518 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.756 3.729 -1.455 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.446 5.220 -2.772 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.264 3.156 -2.603 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.954 4.657 -3.923 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.863 3.624 -3.834 1.00 0.42 C ATOM 583 OH TYR A 55 -3.373 3.058 -4.979 1.00 0.49 O ATOM 0 H TYR A 55 -2.003 3.667 1.681 1.00 0.23 H new ATOM 0 HA TYR A 55 0.381 4.102 -0.002 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -2.137 5.766 0.338 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.717 6.294 -0.544 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -3.078 3.363 -0.491 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.731 6.026 -2.847 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.973 2.344 -2.536 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.642 5.023 -4.890 1.00 0.85 H new ATOM 0 HH TYR A 55 -2.989 3.503 -5.763 1.00 0.49 H new ATOM 593 N ASP A 56 1.084 6.226 1.417 1.00 0.34 N ATOM 594 CA ASP A 56 1.591 7.178 2.390 1.00 0.38 C ATOM 595 C ASP A 56 1.579 8.584 1.798 1.00 0.38 C ATOM 596 O ASP A 56 1.691 8.747 0.581 1.00 0.48 O ATOM 597 CB ASP A 56 3.000 6.802 2.871 1.00 0.47 C ATOM 598 CG ASP A 56 4.089 7.651 2.239 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.605 7.273 1.170 1.00 1.32 O ATOM 600 OD2 ASP A 56 4.439 8.704 2.825 1.00 0.94 O ATOM 0 H ASP A 56 1.497 6.305 0.488 1.00 0.34 H new ATOM 0 HA ASP A 56 0.936 7.153 3.261 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.048 6.907 3.955 1.00 0.47 H new ATOM 0 HB3 ASP A 56 3.187 5.753 2.644 1.00 0.47 H new ATOM 605 N LEU A 57 1.435 9.591 2.646 1.00 0.37 N ATOM 606 CA LEU A 57 1.605 10.977 2.219 1.00 0.39 C ATOM 607 C LEU A 57 2.479 11.712 3.226 1.00 0.51 C ATOM 608 O LEU A 57 2.404 12.927 3.346 1.00 1.12 O ATOM 609 CB LEU A 57 0.260 11.717 2.094 1.00 0.45 C ATOM 610 CG LEU A 57 -0.839 11.012 1.291 1.00 0.53 C ATOM 611 CD1 LEU A 57 -2.147 11.781 1.399 1.00 1.35 C ATOM 612 CD2 LEU A 57 -0.434 10.862 -0.173 1.00 1.27 C ATOM 0 H LEU A 57 1.201 9.478 3.632 1.00 0.37 H new ATOM 0 HA LEU A 57 2.074 10.961 1.235 1.00 0.39 H new ATOM 0 HB2 LEU A 57 -0.120 11.906 3.098 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.447 12.688 1.636 1.00 0.45 H new ATOM 0 HG LEU A 57 -0.980 10.015 1.710 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -2.919 11.269 0.824 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -2.451 11.837 2.444 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -2.010 12.789 1.006 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -1.231 10.359 -0.721 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.262 11.848 -0.606 1.00 1.27 H new ATOM 0 HD23 LEU A 57 0.480 10.272 -0.239 1.00 1.27 H new ATOM 624 N THR A 58 3.342 10.964 3.910 1.00 0.54 N ATOM 625 CA THR A 58 4.080 11.479 5.065 1.00 0.56 C ATOM 626 C THR A 58 4.823 12.782 4.762 1.00 0.66 C ATOM 627 O THR A 58 4.886 13.673 5.606 1.00 1.15 O ATOM 628 CB THR A 58 5.069 10.429 5.611 1.00 0.65 C ATOM 629 OG1 THR A 58 5.911 9.928 4.561 1.00 1.43 O ATOM 630 CG2 THR A 58 4.322 9.272 6.262 1.00 1.12 C ATOM 0 H THR A 58 3.550 9.991 3.683 1.00 0.54 H new ATOM 0 HA THR A 58 3.331 11.697 5.826 1.00 0.56 H new ATOM 0 HB THR A 58 5.691 10.917 6.361 1.00 0.65 H new ATOM 0 HG1 THR A 58 5.458 9.190 4.102 1.00 1.43 H new ATOM 0 HG21 THR A 58 5.039 8.543 6.640 1.00 1.12 H new ATOM 0 HG22 THR A 58 3.717 9.648 7.087 1.00 1.12 H new ATOM 0 HG23 THR A 58 3.675 8.796 5.525 1.00 1.12 H new ATOM 638 N LYS A 59 5.381 12.896 3.566 1.00 0.57 N ATOM 639 CA LYS A 59 6.007 14.140 3.137 1.00 0.58 C ATOM 640 C LYS A 59 5.092 14.892 2.182 1.00 0.48 C ATOM 641 O LYS A 59 5.212 16.101 1.987 1.00 0.54 O ATOM 642 CB LYS A 59 7.356 13.862 2.474 1.00 0.69 C ATOM 643 CG LYS A 59 8.514 13.845 3.460 1.00 1.37 C ATOM 644 CD LYS A 59 8.654 15.184 4.177 1.00 1.96 C ATOM 645 CE LYS A 59 8.992 16.318 3.216 1.00 2.58 C ATOM 646 NZ LYS A 59 9.136 17.621 3.924 1.00 3.59 N ATOM 0 H LYS A 59 5.414 12.145 2.876 1.00 0.57 H new ATOM 0 HA LYS A 59 6.177 14.761 4.017 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.310 12.902 1.960 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.544 14.621 1.715 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.359 13.053 4.192 1.00 1.37 H new ATOM 0 HG3 LYS A 59 9.440 13.614 2.933 1.00 1.37 H new ATOM 0 HD2 LYS A 59 7.724 15.415 4.697 1.00 1.96 H new ATOM 0 HD3 LYS A 59 9.433 15.108 4.936 1.00 1.96 H new ATOM 0 HE2 LYS A 59 9.919 16.085 2.691 1.00 2.58 H new ATOM 0 HE3 LYS A 59 8.210 16.399 2.461 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 9.265 18.382 3.227 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 8.281 17.807 4.486 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 9.963 17.584 4.554 1.00 3.59 H new ATOM 660 N PHE A 60 4.164 14.143 1.599 1.00 0.40 N ATOM 661 CA PHE A 60 3.332 14.630 0.510 1.00 0.35 C ATOM 662 C PHE A 60 2.276 15.607 0.998 1.00 0.36 C ATOM 663 O PHE A 60 1.641 16.307 0.218 1.00 0.40 O ATOM 664 CB PHE A 60 2.680 13.451 -0.208 1.00 0.37 C ATOM 665 CG PHE A 60 2.120 13.812 -1.562 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.942 14.301 -2.563 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.764 13.665 -1.831 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.429 14.632 -3.805 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.245 13.995 -3.070 1.00 2.01 C ATOM 670 CZ PHE A 60 1.094 14.475 -4.065 1.00 1.72 C ATOM 0 H PHE A 60 3.968 13.179 1.870 1.00 0.40 H new ATOM 0 HA PHE A 60 3.972 15.170 -0.188 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.415 12.655 -0.327 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.879 13.054 0.415 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.998 14.426 -2.372 1.00 1.40 H new ATOM 0 HD2 PHE A 60 0.106 13.288 -1.062 1.00 1.62 H new ATOM 0 HE1 PHE A 60 3.085 15.016 -4.573 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -0.811 13.881 -3.265 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.700 14.723 -5.039 1.00 1.72 H new ATOM 680 N LEU A 61 2.105 15.596 2.324 1.00 0.38 N ATOM 681 CA LEU A 61 1.128 16.412 3.043 1.00 0.44 C ATOM 682 C LEU A 61 1.241 17.879 2.675 1.00 0.47 C ATOM 683 O LEU A 61 0.262 18.614 2.725 1.00 0.60 O ATOM 684 CB LEU A 61 1.358 16.272 4.551 1.00 0.50 C ATOM 685 CG LEU A 61 1.176 14.869 5.134 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.509 14.859 6.620 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.244 14.383 4.911 1.00 0.61 C ATOM 0 H LEU A 61 2.659 15.002 2.941 1.00 0.38 H new ATOM 0 HA LEU A 61 0.135 16.059 2.765 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.370 16.608 4.776 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.676 16.948 5.066 1.00 0.50 H new ATOM 0 HG LEU A 61 1.861 14.194 4.621 1.00 0.56 H new ATOM 0 HD11 LEU A 61 1.374 13.853 7.016 1.00 0.72 H new ATOM 0 HD12 LEU A 61 2.544 15.169 6.763 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.848 15.548 7.146 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.357 13.384 5.331 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -0.942 15.063 5.399 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.455 14.353 3.842 1.00 0.61 H new ATOM 699 N GLU A 62 2.467 18.288 2.356 1.00 0.46 N ATOM 700 CA GLU A 62 2.794 19.682 2.081 1.00 0.55 C ATOM 701 C GLU A 62 2.569 20.009 0.610 1.00 0.53 C ATOM 702 O GLU A 62 2.512 21.175 0.222 1.00 0.72 O ATOM 703 CB GLU A 62 4.265 19.924 2.419 1.00 0.68 C ATOM 704 CG GLU A 62 4.661 19.461 3.811 1.00 0.99 C ATOM 705 CD GLU A 62 6.133 19.679 4.097 1.00 1.22 C ATOM 706 OE1 GLU A 62 6.591 20.833 4.008 1.00 1.60 O ATOM 707 OE2 GLU A 62 6.836 18.701 4.443 1.00 1.62 O ATOM 0 H GLU A 62 3.265 17.657 2.281 1.00 0.46 H new ATOM 0 HA GLU A 62 2.150 20.318 2.688 1.00 0.55 H new ATOM 0 HB2 GLU A 62 4.886 19.410 1.685 1.00 0.68 H new ATOM 0 HB3 GLU A 62 4.479 20.989 2.326 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.067 19.997 4.551 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.426 18.402 3.919 1.00 0.99 H new ATOM 714 N GLU A 63 2.470 18.959 -0.198 1.00 0.42 N ATOM 715 CA GLU A 63 2.513 19.087 -1.651 1.00 0.48 C ATOM 716 C GLU A 63 1.147 18.786 -2.273 1.00 0.46 C ATOM 717 O GLU A 63 0.868 19.179 -3.409 1.00 0.66 O ATOM 718 CB GLU A 63 3.566 18.126 -2.201 1.00 0.59 C ATOM 719 CG GLU A 63 4.201 18.609 -3.487 1.00 1.05 C ATOM 720 CD GLU A 63 5.231 17.643 -4.029 1.00 1.31 C ATOM 721 OE1 GLU A 63 6.279 17.456 -3.376 1.00 1.83 O ATOM 722 OE2 GLU A 63 4.996 17.075 -5.116 1.00 2.03 O ATOM 0 H GLU A 63 2.358 18.001 0.133 1.00 0.42 H new ATOM 0 HA GLU A 63 2.774 20.113 -1.909 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.344 17.982 -1.451 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.106 17.153 -2.374 1.00 0.59 H new ATOM 0 HG2 GLU A 63 3.424 18.763 -4.236 1.00 1.05 H new ATOM 0 HG3 GLU A 63 4.672 19.576 -3.314 1.00 1.05 H new ATOM 729 N HIS A 64 0.316 18.067 -1.515 1.00 0.33 N ATOM 730 CA HIS A 64 -1.041 17.719 -1.929 1.00 0.32 C ATOM 731 C HIS A 64 -1.913 18.980 -1.956 1.00 0.42 C ATOM 732 O HIS A 64 -2.058 19.663 -0.942 1.00 0.52 O ATOM 733 CB HIS A 64 -1.612 16.650 -0.982 1.00 0.38 C ATOM 734 CG HIS A 64 -2.974 16.057 -1.308 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.076 16.184 -0.487 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.357 15.290 -2.396 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.100 15.518 -1.053 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.698 14.970 -2.205 1.00 0.36 N ATOM 0 H HIS A 64 0.568 17.709 -0.594 1.00 0.33 H new ATOM 0 HA HIS A 64 -1.028 17.301 -2.936 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.895 15.831 -0.933 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.668 17.085 0.016 1.00 0.38 H new ATOM 0 HD1 HIS A 64 -4.109 16.694 0.396 1.00 0.44 H new ATOM 0 HD2 HIS A 64 -2.736 14.997 -3.230 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.095 15.438 -0.640 1.00 0.43 H new ATOM 746 N PRO A 65 -2.506 19.294 -3.126 1.00 0.51 N ATOM 747 CA PRO A 65 -3.111 20.612 -3.396 1.00 0.73 C ATOM 748 C PRO A 65 -4.366 20.908 -2.576 1.00 0.90 C ATOM 749 O PRO A 65 -4.728 22.070 -2.385 1.00 1.46 O ATOM 750 CB PRO A 65 -3.466 20.539 -4.884 1.00 0.96 C ATOM 751 CG PRO A 65 -3.626 19.088 -5.166 1.00 0.81 C ATOM 752 CD PRO A 65 -2.640 18.385 -4.280 1.00 0.55 C ATOM 0 HA PRO A 65 -2.422 21.413 -3.126 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -4.383 21.087 -5.099 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -2.681 20.977 -5.500 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -4.644 18.759 -4.956 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -3.432 18.871 -6.216 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.002 17.402 -3.977 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.685 18.232 -4.784 1.00 0.55 H new ATOM 760 N GLY A 66 -5.028 19.869 -2.101 1.00 1.08 N ATOM 761 CA GLY A 66 -6.272 20.068 -1.390 1.00 1.38 C ATOM 762 C GLY A 66 -6.440 19.104 -0.238 1.00 1.38 C ATOM 763 O GLY A 66 -7.289 18.218 -0.284 1.00 2.03 O ATOM 0 H GLY A 66 -4.731 18.898 -2.193 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -6.312 21.090 -1.013 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -7.106 19.951 -2.083 1.00 1.38 H new ATOM 767 N GLY A 67 -5.620 19.266 0.787 1.00 1.25 N ATOM 768 CA GLY A 67 -5.716 18.416 1.950 1.00 1.70 C ATOM 769 C GLY A 67 -4.454 18.425 2.770 1.00 1.24 C ATOM 770 O GLY A 67 -3.457 17.823 2.384 1.00 1.66 O ATOM 0 H GLY A 67 -4.887 19.974 0.833 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -6.551 18.744 2.569 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -5.934 17.396 1.635 1.00 1.70 H new ATOM 774 N GLU A 68 -4.480 19.136 3.882 1.00 1.38 N ATOM 775 CA GLU A 68 -3.380 19.093 4.828 1.00 1.18 C ATOM 776 C GLU A 68 -3.869 18.475 6.136 1.00 0.94 C ATOM 777 O GLU A 68 -3.476 17.374 6.517 1.00 0.98 O ATOM 778 CB GLU A 68 -2.807 20.497 5.065 1.00 1.50 C ATOM 779 CG GLU A 68 -1.447 20.485 5.756 1.00 1.48 C ATOM 780 CD GLU A 68 -0.812 21.860 5.844 1.00 2.09 C ATOM 781 OE1 GLU A 68 -0.515 22.455 4.787 1.00 2.88 O ATOM 782 OE2 GLU A 68 -0.606 22.350 6.974 1.00 2.25 O ATOM 0 H GLU A 68 -5.249 19.749 4.152 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.578 18.479 4.419 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -2.716 21.011 4.108 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -3.509 21.071 5.670 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.560 20.079 6.761 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.777 19.816 5.215 1.00 1.48 H new ATOM 789 N GLU A 69 -4.760 19.204 6.808 1.00 0.91 N ATOM 790 CA GLU A 69 -5.336 18.768 8.074 1.00 0.84 C ATOM 791 C GLU A 69 -6.330 17.637 7.844 1.00 0.75 C ATOM 792 O GLU A 69 -6.397 16.675 8.604 1.00 0.78 O ATOM 793 CB GLU A 69 -6.059 19.931 8.773 1.00 0.97 C ATOM 794 CG GLU A 69 -5.270 21.230 8.828 1.00 1.64 C ATOM 795 CD GLU A 69 -5.523 22.122 7.627 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.648 21.590 6.506 1.00 2.63 O ATOM 797 OE2 GLU A 69 -5.588 23.358 7.797 1.00 2.27 O ATOM 0 H GLU A 69 -5.100 20.111 6.489 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.521 18.417 8.707 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -7.002 20.116 8.258 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -6.305 19.628 9.791 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -5.531 21.770 9.738 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -4.206 21.001 8.888 1.00 1.64 H new ATOM 804 N VAL A 70 -7.111 17.792 6.777 1.00 0.79 N ATOM 805 CA VAL A 70 -8.257 16.928 6.511 1.00 0.86 C ATOM 806 C VAL A 70 -7.842 15.514 6.132 1.00 0.82 C ATOM 807 O VAL A 70 -8.672 14.607 6.102 1.00 1.01 O ATOM 808 CB VAL A 70 -9.160 17.511 5.400 1.00 1.09 C ATOM 809 CG1 VAL A 70 -9.681 18.889 5.795 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.428 17.571 4.066 1.00 1.41 C ATOM 0 H VAL A 70 -6.967 18.518 6.075 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.819 16.881 7.444 1.00 0.86 H new ATOM 0 HB VAL A 70 -10.013 16.844 5.280 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.314 19.281 4.999 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.262 18.809 6.714 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -8.840 19.564 5.955 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.090 17.985 3.306 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -7.546 18.204 4.163 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -8.123 16.566 3.773 1.00 1.41 H new ATOM 820 N LEU A 71 -6.559 15.332 5.847 1.00 0.72 N ATOM 821 CA LEU A 71 -6.042 14.013 5.525 1.00 0.74 C ATOM 822 C LEU A 71 -6.017 13.152 6.788 1.00 0.70 C ATOM 823 O LEU A 71 -6.262 11.939 6.726 1.00 0.77 O ATOM 824 CB LEU A 71 -4.626 14.135 4.924 1.00 0.84 C ATOM 825 CG LEU A 71 -4.577 14.765 3.528 1.00 1.10 C ATOM 826 CD1 LEU A 71 -3.153 14.807 3.002 1.00 1.62 C ATOM 827 CD2 LEU A 71 -5.472 13.991 2.577 1.00 1.69 C ATOM 0 H LEU A 71 -5.863 16.077 5.833 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.689 13.538 4.788 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -4.009 14.729 5.598 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -4.179 13.142 4.876 1.00 0.84 H new ATOM 0 HG LEU A 71 -4.940 15.790 3.599 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -3.145 15.258 2.010 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -2.534 15.400 3.675 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -2.757 13.793 2.943 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -5.431 14.446 1.587 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -5.131 12.958 2.516 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -6.498 14.013 2.944 1.00 1.69 H new ATOM 839 N ARG A 72 -5.796 13.819 7.915 1.00 0.70 N ATOM 840 CA ARG A 72 -5.582 13.188 9.216 1.00 0.78 C ATOM 841 C ARG A 72 -6.692 12.233 9.601 1.00 0.92 C ATOM 842 O ARG A 72 -6.446 11.177 10.178 1.00 1.03 O ATOM 843 CB ARG A 72 -5.479 14.263 10.292 1.00 0.77 C ATOM 844 CG ARG A 72 -4.100 14.875 10.437 1.00 1.42 C ATOM 845 CD ARG A 72 -4.111 15.991 11.473 1.00 1.49 C ATOM 846 NE ARG A 72 -5.012 15.697 12.594 1.00 2.11 N ATOM 847 CZ ARG A 72 -4.795 16.065 13.857 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.675 16.695 14.197 1.00 2.24 N ATOM 849 NH2 ARG A 72 -5.703 15.800 14.784 1.00 3.47 N ATOM 0 H ARG A 72 -5.759 14.838 7.952 1.00 0.70 H new ATOM 0 HA ARG A 72 -4.659 12.613 9.136 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -6.193 15.055 10.066 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -5.774 13.832 11.249 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -3.385 14.107 10.731 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -3.768 15.268 9.476 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.100 16.143 11.852 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -4.417 16.923 10.998 1.00 1.49 H new ATOM 0 HE ARG A 72 -5.864 15.174 12.392 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -2.971 16.902 13.489 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -3.520 16.972 15.166 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -6.564 15.316 14.531 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -5.541 16.080 15.751 1.00 3.47 H new ATOM 863 N GLU A 73 -7.924 12.645 9.316 1.00 1.13 N ATOM 864 CA GLU A 73 -9.111 11.902 9.740 1.00 1.55 C ATOM 865 C GLU A 73 -9.338 10.695 8.841 1.00 1.28 C ATOM 866 O GLU A 73 -10.072 9.770 9.188 1.00 1.60 O ATOM 867 CB GLU A 73 -10.327 12.830 9.719 1.00 1.97 C ATOM 868 CG GLU A 73 -11.552 12.240 10.404 1.00 2.63 C ATOM 869 CD GLU A 73 -12.728 13.194 10.448 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.765 14.051 11.354 1.00 3.55 O ATOM 871 OE2 GLU A 73 -13.630 13.075 9.592 1.00 3.65 O ATOM 0 H GLU A 73 -8.129 13.495 8.790 1.00 1.13 H new ATOM 0 HA GLU A 73 -8.960 11.537 10.756 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.066 13.770 10.206 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -10.577 13.065 8.684 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -11.849 11.331 9.882 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.288 11.952 11.421 1.00 2.63 H new ATOM 878 N GLN A 74 -8.708 10.737 7.677 1.00 0.77 N ATOM 879 CA GLN A 74 -8.795 9.666 6.699 1.00 0.62 C ATOM 880 C GLN A 74 -7.497 8.863 6.723 1.00 0.56 C ATOM 881 O GLN A 74 -7.347 7.864 6.025 1.00 0.64 O ATOM 882 CB GLN A 74 -9.018 10.263 5.306 1.00 0.63 C ATOM 883 CG GLN A 74 -10.215 11.195 5.218 1.00 0.76 C ATOM 884 CD GLN A 74 -11.518 10.500 5.545 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.691 9.316 5.280 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.438 11.236 6.139 1.00 1.68 N ATOM 0 H GLN A 74 -8.120 11.518 7.384 1.00 0.77 H new ATOM 0 HA GLN A 74 -9.631 9.009 6.940 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.123 10.809 5.008 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.149 9.451 4.591 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.071 12.031 5.903 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.272 11.613 4.213 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.253 12.218 6.341 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.334 10.823 6.396 1.00 1.68 H new ATOM 895 N ALA A 75 -6.550 9.349 7.528 1.00 0.55 N ATOM 896 CA ALA A 75 -5.225 8.755 7.644 1.00 0.58 C ATOM 897 C ALA A 75 -5.270 7.496 8.488 1.00 0.52 C ATOM 898 O ALA A 75 -4.774 7.465 9.615 1.00 0.70 O ATOM 899 CB ALA A 75 -4.260 9.754 8.255 1.00 0.70 C ATOM 0 H ALA A 75 -6.685 10.169 8.119 1.00 0.55 H new ATOM 0 HA ALA A 75 -4.881 8.487 6.645 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.272 9.301 8.338 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.202 10.638 7.621 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.612 10.041 9.246 1.00 0.70 H new ATOM 905 N GLY A 76 -5.831 6.457 7.916 1.00 0.49 N ATOM 906 CA GLY A 76 -6.038 5.227 8.636 1.00 0.58 C ATOM 907 C GLY A 76 -6.263 4.085 7.692 1.00 0.48 C ATOM 908 O GLY A 76 -5.316 3.436 7.263 1.00 0.72 O ATOM 0 H GLY A 76 -6.153 6.441 6.948 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -5.172 5.019 9.265 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -6.896 5.330 9.300 1.00 0.58 H new ATOM 912 N GLY A 77 -7.508 3.870 7.328 1.00 0.42 N ATOM 913 CA GLY A 77 -7.829 2.786 6.444 1.00 0.52 C ATOM 914 C GLY A 77 -8.090 3.284 5.053 1.00 0.44 C ATOM 915 O GLY A 77 -7.395 4.177 4.576 1.00 0.78 O ATOM 0 H GLY A 77 -8.305 4.430 7.631 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.008 2.069 6.429 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.707 2.257 6.815 1.00 0.52 H new ATOM 919 N ASP A 78 -9.093 2.730 4.401 1.00 0.55 N ATOM 920 CA ASP A 78 -9.373 3.106 3.030 1.00 0.72 C ATOM 921 C ASP A 78 -10.046 4.470 2.978 1.00 0.67 C ATOM 922 O ASP A 78 -10.805 4.829 3.880 1.00 1.04 O ATOM 923 CB ASP A 78 -10.223 2.050 2.323 1.00 1.14 C ATOM 924 CG ASP A 78 -10.048 2.088 0.824 1.00 1.82 C ATOM 925 OD1 ASP A 78 -10.435 3.103 0.209 1.00 2.59 O ATOM 926 OD2 ASP A 78 -9.530 1.106 0.263 1.00 2.28 O ATOM 0 H ASP A 78 -9.720 2.027 4.792 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.423 3.170 2.499 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -9.953 1.061 2.694 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -11.273 2.207 2.569 1.00 1.14 H new ATOM 931 N ALA A 79 -9.777 5.217 1.924 1.00 0.54 N ATOM 932 CA ALA A 79 -10.335 6.549 1.779 1.00 0.58 C ATOM 933 C ALA A 79 -11.241 6.654 0.554 1.00 0.56 C ATOM 934 O ALA A 79 -11.761 7.735 0.250 1.00 0.67 O ATOM 935 CB ALA A 79 -9.220 7.576 1.686 1.00 0.73 C ATOM 0 H ALA A 79 -9.175 4.924 1.155 1.00 0.54 H new ATOM 0 HA ALA A 79 -10.942 6.749 2.662 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.650 8.572 1.577 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.615 7.539 2.592 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.593 7.355 0.822 1.00 0.73 H new ATOM 941 N THR A 80 -11.452 5.533 -0.133 1.00 0.54 N ATOM 942 CA THR A 80 -12.168 5.525 -1.405 1.00 0.60 C ATOM 943 C THR A 80 -13.595 6.063 -1.283 1.00 0.65 C ATOM 944 O THR A 80 -14.189 6.452 -2.278 1.00 0.84 O ATOM 945 CB THR A 80 -12.185 4.119 -2.052 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.678 4.211 -3.397 1.00 0.84 O ATOM 947 CG2 THR A 80 -13.051 3.131 -1.272 1.00 0.70 C ATOM 0 H THR A 80 -11.135 4.613 0.173 1.00 0.54 H new ATOM 0 HA THR A 80 -11.613 6.200 -2.057 1.00 0.60 H new ATOM 0 HB THR A 80 -11.160 3.748 -2.042 1.00 0.66 H new ATOM 0 HG1 THR A 80 -13.278 4.982 -3.473 1.00 0.84 H new ATOM 0 HG21 THR A 80 -13.030 2.160 -1.766 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.665 3.030 -0.258 1.00 0.70 H new ATOM 0 HG23 THR A 80 -14.077 3.497 -1.235 1.00 0.70 H new ATOM 955 N GLU A 81 -14.134 6.108 -0.069 1.00 0.65 N ATOM 956 CA GLU A 81 -15.447 6.715 0.164 1.00 0.79 C ATOM 957 C GLU A 81 -15.465 8.155 -0.345 1.00 0.85 C ATOM 958 O GLU A 81 -16.305 8.534 -1.160 1.00 0.98 O ATOM 959 CB GLU A 81 -15.802 6.681 1.653 1.00 0.91 C ATOM 960 CG GLU A 81 -16.280 5.320 2.136 1.00 1.54 C ATOM 961 CD GLU A 81 -17.578 4.880 1.480 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.405 5.752 1.127 1.00 2.27 O ATOM 963 OE2 GLU A 81 -17.780 3.660 1.315 1.00 2.27 O ATOM 0 H GLU A 81 -13.687 5.734 0.768 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.191 6.137 -0.384 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -14.928 6.976 2.233 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -16.579 7.420 1.849 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -15.508 4.577 1.935 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -16.418 5.352 3.217 1.00 1.54 H new ATOM 970 N ASN A 82 -14.508 8.941 0.140 1.00 0.82 N ATOM 971 CA ASN A 82 -14.406 10.356 -0.211 1.00 0.90 C ATOM 972 C ASN A 82 -13.736 10.504 -1.575 1.00 0.94 C ATOM 973 O ASN A 82 -13.884 11.506 -2.266 1.00 1.09 O ATOM 974 CB ASN A 82 -13.600 11.105 0.858 1.00 0.93 C ATOM 975 CG ASN A 82 -13.744 12.617 0.755 1.00 1.70 C ATOM 976 OD1 ASN A 82 -14.651 13.203 1.345 1.00 2.41 O ATOM 977 ND2 ASN A 82 -12.841 13.260 0.024 1.00 2.40 N ATOM 0 H ASN A 82 -13.785 8.619 0.783 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.407 10.785 -0.260 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.926 10.780 1.846 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.547 10.838 0.766 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -12.885 14.275 -0.063 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -12.104 12.739 -0.450 1.00 2.40 H new ATOM 984 N PHE A 83 -12.971 9.467 -1.922 1.00 0.85 N ATOM 985 CA PHE A 83 -12.233 9.394 -3.184 1.00 0.89 C ATOM 986 C PHE A 83 -13.191 9.335 -4.374 1.00 1.02 C ATOM 987 O PHE A 83 -12.845 9.706 -5.492 1.00 1.17 O ATOM 988 CB PHE A 83 -11.345 8.145 -3.146 1.00 0.81 C ATOM 989 CG PHE A 83 -10.469 7.952 -4.349 1.00 0.86 C ATOM 990 CD1 PHE A 83 -9.257 8.617 -4.454 1.00 0.97 C ATOM 991 CD2 PHE A 83 -10.860 7.115 -5.377 1.00 1.20 C ATOM 992 CE1 PHE A 83 -8.453 8.449 -5.563 1.00 1.06 C ATOM 993 CE2 PHE A 83 -10.060 6.941 -6.489 1.00 1.33 C ATOM 994 CZ PHE A 83 -8.841 7.580 -6.569 1.00 1.13 C ATOM 0 H PHE A 83 -12.845 8.647 -1.329 1.00 0.85 H new ATOM 0 HA PHE A 83 -11.620 10.287 -3.305 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -10.713 8.194 -2.259 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -11.982 7.268 -3.035 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -8.938 9.274 -3.658 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -11.802 6.591 -5.310 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -7.524 8.994 -5.646 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -10.389 6.304 -7.297 1.00 1.33 H new ATOM 0 HZ PHE A 83 -8.191 7.403 -7.413 1.00 1.13 H new ATOM 1004 N GLU A 84 -14.398 8.840 -4.097 1.00 1.00 N ATOM 1005 CA GLU A 84 -15.450 8.691 -5.101 1.00 1.14 C ATOM 1006 C GLU A 84 -16.122 10.030 -5.374 1.00 1.24 C ATOM 1007 O GLU A 84 -16.772 10.223 -6.402 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.490 7.685 -4.598 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.980 6.255 -4.545 1.00 1.33 C ATOM 1010 CD GLU A 84 -15.765 5.637 -5.911 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -14.725 5.933 -6.541 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -16.631 4.865 -6.366 1.00 2.30 O ATOM 0 H GLU A 84 -14.674 8.530 -3.165 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.005 8.331 -6.029 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -16.818 7.982 -3.602 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.365 7.726 -5.246 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.040 6.234 -3.994 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -16.691 5.645 -3.987 1.00 1.33 H new ATOM 1019 N ASP A 85 -15.978 10.935 -4.400 1.00 1.18 N ATOM 1020 CA ASP A 85 -16.598 12.258 -4.448 1.00 1.34 C ATOM 1021 C ASP A 85 -15.708 13.236 -5.195 1.00 1.45 C ATOM 1022 O ASP A 85 -16.191 14.115 -5.909 1.00 1.90 O ATOM 1023 CB ASP A 85 -16.847 12.764 -3.023 1.00 1.35 C ATOM 1024 CG ASP A 85 -17.511 14.129 -2.973 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -18.758 14.179 -2.970 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -16.793 15.146 -2.905 1.00 1.81 O ATOM 0 H ASP A 85 -15.428 10.768 -3.557 1.00 1.18 H new ATOM 0 HA ASP A 85 -17.548 12.181 -4.976 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -17.473 12.045 -2.495 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -15.897 12.811 -2.491 1.00 1.35 H new ATOM 1031 N VAL A 86 -14.408 13.077 -5.006 1.00 1.34 N ATOM 1032 CA VAL A 86 -13.429 13.884 -5.712 1.00 1.50 C ATOM 1033 C VAL A 86 -12.746 13.026 -6.771 1.00 1.26 C ATOM 1034 O VAL A 86 -11.893 12.198 -6.454 1.00 1.87 O ATOM 1035 CB VAL A 86 -12.362 14.471 -4.761 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -11.539 15.538 -5.469 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -13.001 15.035 -3.498 1.00 2.64 C ATOM 0 H VAL A 86 -14.006 12.392 -4.366 1.00 1.34 H new ATOM 0 HA VAL A 86 -13.955 14.720 -6.173 1.00 1.50 H new ATOM 0 HB VAL A 86 -11.695 13.661 -4.466 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -10.794 15.938 -4.782 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -11.038 15.098 -6.332 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -12.195 16.342 -5.801 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -12.226 15.441 -2.848 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -13.701 15.827 -3.766 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -13.534 14.242 -2.975 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.153 13.241 -8.015 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.817 12.351 -9.118 1.00 1.82 C ATOM 1049 C GLY A 87 -11.342 11.980 -9.243 1.00 1.46 C ATOM 1050 O GLY A 87 -11.037 10.835 -9.591 1.00 2.23 O ATOM 0 H GLY A 87 -13.727 14.039 -8.288 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -13.396 11.434 -9.010 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -13.135 12.820 -10.049 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.441 12.932 -8.962 1.00 1.05 N ATOM 1055 CA HIS A 88 -8.997 12.742 -9.181 1.00 0.81 C ATOM 1056 C HIS A 88 -8.706 12.470 -10.663 1.00 0.89 C ATOM 1057 O HIS A 88 -8.917 11.356 -11.146 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.427 11.604 -8.304 1.00 0.89 C ATOM 1059 CG HIS A 88 -8.169 11.975 -6.873 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -8.989 11.618 -5.804 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.131 12.659 -6.334 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -8.426 12.092 -4.675 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -7.319 12.727 -4.968 1.00 0.48 N ATOM 0 H HIS A 88 -10.687 13.846 -8.581 1.00 1.05 H new ATOM 0 HA HIS A 88 -8.500 13.666 -8.887 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -9.123 10.765 -8.326 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.494 11.256 -8.747 1.00 0.89 H new ATOM 0 HD1 HIS A 88 -9.860 11.091 -5.865 1.00 0.88 H new ATOM 0 HD2 HIS A 88 -6.299 13.079 -6.880 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -8.827 11.967 -3.680 1.00 0.98 H new ATOM 1071 N SER A 89 -8.232 13.471 -11.394 1.00 0.81 N ATOM 1072 CA SER A 89 -8.023 13.319 -12.827 1.00 1.00 C ATOM 1073 C SER A 89 -6.840 12.395 -13.145 1.00 1.00 C ATOM 1074 O SER A 89 -6.246 11.800 -12.235 1.00 1.43 O ATOM 1075 CB SER A 89 -7.838 14.697 -13.462 1.00 1.22 C ATOM 1076 OG SER A 89 -6.947 15.492 -12.702 1.00 1.06 O ATOM 0 H SER A 89 -7.987 14.389 -11.022 1.00 0.81 H new ATOM 0 HA SER A 89 -8.906 12.843 -13.253 1.00 1.00 H new ATOM 0 HB2 SER A 89 -7.456 14.585 -14.477 1.00 1.22 H new ATOM 0 HB3 SER A 89 -8.803 15.198 -13.539 1.00 1.22 H new ATOM 0 HG SER A 89 -6.041 15.405 -13.064 1.00 1.06 H new ATOM 1082 N THR A 90 -6.508 12.282 -14.432 1.00 1.14 N ATOM 1083 CA THR A 90 -5.490 11.349 -14.913 1.00 1.15 C ATOM 1084 C THR A 90 -4.193 11.447 -14.101 1.00 1.15 C ATOM 1085 O THR A 90 -3.550 10.433 -13.822 1.00 1.72 O ATOM 1086 CB THR A 90 -5.174 11.611 -16.398 1.00 1.27 C ATOM 1087 OG1 THR A 90 -6.388 11.656 -17.163 1.00 1.45 O ATOM 1088 CG2 THR A 90 -4.254 10.536 -16.968 1.00 1.49 C ATOM 0 H THR A 90 -6.939 12.837 -15.171 1.00 1.14 H new ATOM 0 HA THR A 90 -5.898 10.346 -14.792 1.00 1.15 H new ATOM 0 HB THR A 90 -4.664 12.572 -16.463 1.00 1.27 H new ATOM 0 HG1 THR A 90 -6.175 11.825 -18.105 1.00 1.45 H new ATOM 0 HG21 THR A 90 -4.051 10.750 -18.017 1.00 1.49 H new ATOM 0 HG22 THR A 90 -3.317 10.526 -16.411 1.00 1.49 H new ATOM 0 HG23 THR A 90 -4.736 9.562 -16.883 1.00 1.49 H new ATOM 1096 N ASP A 91 -3.841 12.672 -13.717 1.00 0.95 N ATOM 1097 CA ASP A 91 -2.627 12.950 -12.951 1.00 0.97 C ATOM 1098 C ASP A 91 -2.466 11.965 -11.797 1.00 0.89 C ATOM 1099 O ASP A 91 -1.484 11.226 -11.715 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.699 14.371 -12.385 1.00 1.12 C ATOM 1101 CG ASP A 91 -3.206 15.384 -13.393 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -4.420 15.396 -13.675 1.00 2.46 O ATOM 1103 OD2 ASP A 91 -2.377 16.170 -13.914 1.00 1.90 O ATOM 0 H ASP A 91 -4.392 13.504 -13.929 1.00 0.95 H new ATOM 0 HA ASP A 91 -1.771 12.848 -13.618 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.352 14.376 -11.513 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -1.708 14.671 -12.043 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.471 11.942 -10.925 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.402 11.201 -9.669 1.00 0.90 C ATOM 1110 C ALA A 92 -3.504 9.695 -9.869 1.00 0.82 C ATOM 1111 O ALA A 92 -3.349 8.932 -8.923 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.501 11.670 -8.737 1.00 0.97 C ATOM 0 H ALA A 92 -4.353 12.434 -11.069 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.424 11.401 -9.230 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.446 11.114 -7.801 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.378 12.734 -8.535 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.471 11.499 -9.204 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.753 9.277 -11.096 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.904 7.862 -11.414 1.00 0.73 C ATOM 1120 C ARG A 93 -2.573 7.296 -11.896 1.00 0.69 C ATOM 1121 O ARG A 93 -2.414 6.093 -12.092 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.995 7.711 -12.473 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.317 8.292 -12.009 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.376 8.290 -13.094 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.563 9.026 -12.668 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.761 8.912 -13.232 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -9.955 8.084 -14.247 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.773 9.629 -12.775 1.00 4.15 N ATOM 0 H ARG A 93 -3.856 9.900 -11.897 1.00 0.75 H new ATOM 0 HA ARG A 93 -4.198 7.301 -10.527 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.682 8.209 -13.391 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -5.126 6.656 -12.712 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.679 7.721 -11.154 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.158 9.314 -11.665 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.972 8.738 -14.002 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -7.649 7.264 -13.339 1.00 1.70 H new ATOM 0 HE ARG A 93 -8.466 9.672 -11.884 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -9.180 7.525 -14.604 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -10.879 8.005 -14.671 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -10.633 10.267 -11.992 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.694 9.544 -13.206 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.626 8.204 -12.084 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.280 7.877 -12.535 1.00 0.60 C ATOM 1144 C GLU A 94 0.686 8.205 -11.405 1.00 0.58 C ATOM 1145 O GLU A 94 1.603 7.452 -11.077 1.00 0.74 O ATOM 1146 CB GLU A 94 0.050 8.719 -13.779 1.00 0.68 C ATOM 1147 CG GLU A 94 1.440 8.493 -14.358 1.00 1.19 C ATOM 1148 CD GLU A 94 1.557 7.215 -15.174 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.776 7.044 -16.134 1.00 2.11 O ATOM 1150 OE2 GLU A 94 2.403 6.361 -14.834 1.00 1.62 O ATOM 0 H GLU A 94 -1.772 9.201 -11.926 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.200 6.821 -12.795 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.688 8.504 -14.551 1.00 0.68 H new ATOM 0 HB3 GLU A 94 -0.054 9.774 -13.524 1.00 0.68 H new ATOM 0 HG2 GLU A 94 1.705 9.342 -14.988 1.00 1.19 H new ATOM 0 HG3 GLU A 94 2.164 8.462 -13.543 1.00 1.19 H new ATOM 1157 N MET A 95 0.415 9.374 -10.824 1.00 0.48 N ATOM 1158 CA MET A 95 1.199 9.982 -9.756 1.00 0.49 C ATOM 1159 C MET A 95 1.273 9.085 -8.530 1.00 0.42 C ATOM 1160 O MET A 95 2.302 8.992 -7.870 1.00 0.50 O ATOM 1161 CB MET A 95 0.544 11.310 -9.369 1.00 0.53 C ATOM 1162 CG MET A 95 1.405 12.212 -8.498 1.00 0.65 C ATOM 1163 SD MET A 95 2.823 12.880 -9.383 1.00 1.09 S ATOM 1164 CE MET A 95 3.375 14.135 -8.230 1.00 1.75 C ATOM 0 H MET A 95 -0.387 9.942 -11.097 1.00 0.48 H new ATOM 0 HA MET A 95 2.216 10.136 -10.118 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.282 11.849 -10.279 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.387 11.101 -8.843 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.797 13.034 -8.120 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.754 11.649 -7.632 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.251 14.642 -8.635 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.577 14.860 -8.072 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.634 13.668 -7.280 1.00 1.75 H new ATOM 1174 N SER A 96 0.143 8.453 -8.222 1.00 0.34 N ATOM 1175 CA SER A 96 -0.063 7.851 -6.913 1.00 0.31 C ATOM 1176 C SER A 96 0.768 6.584 -6.717 1.00 0.31 C ATOM 1177 O SER A 96 0.970 6.120 -5.593 1.00 0.33 O ATOM 1178 CB SER A 96 -1.546 7.571 -6.701 1.00 0.36 C ATOM 1179 OG SER A 96 -2.049 6.673 -7.673 1.00 1.13 O ATOM 0 H SER A 96 -0.643 8.346 -8.863 1.00 0.34 H new ATOM 0 HA SER A 96 0.279 8.563 -6.162 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.700 7.155 -5.705 1.00 0.36 H new ATOM 0 HB3 SER A 96 -2.104 8.506 -6.745 1.00 0.36 H new ATOM 0 HG SER A 96 -2.582 7.167 -8.330 1.00 1.13 H new ATOM 1185 N LYS A 97 1.192 6.014 -7.852 1.00 0.36 N ATOM 1186 CA LYS A 97 1.720 4.648 -7.929 1.00 0.43 C ATOM 1187 C LYS A 97 2.974 4.461 -7.103 1.00 0.41 C ATOM 1188 O LYS A 97 3.267 3.347 -6.676 1.00 0.48 O ATOM 1189 CB LYS A 97 2.006 4.282 -9.385 1.00 0.56 C ATOM 1190 CG LYS A 97 0.759 4.197 -10.252 1.00 0.83 C ATOM 1191 CD LYS A 97 1.073 3.634 -11.633 1.00 1.15 C ATOM 1192 CE LYS A 97 1.989 4.553 -12.420 1.00 1.56 C ATOM 1193 NZ LYS A 97 2.371 3.965 -13.729 1.00 2.15 N ATOM 0 H LYS A 97 1.178 6.494 -8.752 1.00 0.36 H new ATOM 0 HA LYS A 97 0.957 3.987 -7.517 1.00 0.43 H new ATOM 0 HB2 LYS A 97 2.683 5.023 -9.810 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.524 3.323 -9.414 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.017 3.567 -9.762 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.318 5.189 -10.354 1.00 0.83 H new ATOM 0 HD2 LYS A 97 1.542 2.655 -11.529 1.00 1.15 H new ATOM 0 HD3 LYS A 97 0.145 3.486 -12.185 1.00 1.15 H new ATOM 0 HE2 LYS A 97 1.492 5.509 -12.583 1.00 1.56 H new ATOM 0 HE3 LYS A 97 2.887 4.756 -11.837 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 2.239 4.673 -14.479 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 3.369 3.673 -13.700 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 1.773 3.137 -13.925 1.00 2.15 H new ATOM 1207 N THR A 98 3.725 5.548 -6.916 1.00 0.40 N ATOM 1208 CA THR A 98 4.958 5.498 -6.147 1.00 0.46 C ATOM 1209 C THR A 98 4.690 5.794 -4.675 1.00 0.41 C ATOM 1210 O THR A 98 5.612 5.871 -3.863 1.00 0.48 O ATOM 1211 CB THR A 98 6.009 6.478 -6.693 1.00 0.59 C ATOM 1212 OG1 THR A 98 7.275 6.267 -6.049 1.00 1.01 O ATOM 1213 CG2 THR A 98 5.562 7.911 -6.481 1.00 1.15 C ATOM 0 H THR A 98 3.497 6.470 -7.288 1.00 0.40 H new ATOM 0 HA THR A 98 5.355 4.487 -6.242 1.00 0.46 H new ATOM 0 HB THR A 98 6.119 6.296 -7.762 1.00 0.59 H new ATOM 0 HG1 THR A 98 7.129 6.050 -5.104 1.00 1.01 H new ATOM 0 HG21 THR A 98 6.319 8.590 -6.874 1.00 1.15 H new ATOM 0 HG22 THR A 98 4.619 8.079 -7.001 1.00 1.15 H new ATOM 0 HG23 THR A 98 5.427 8.096 -5.415 1.00 1.15 H new ATOM 1221 N PHE A 99 3.424 5.975 -4.347 1.00 0.32 N ATOM 1222 CA PHE A 99 3.017 6.192 -2.968 1.00 0.32 C ATOM 1223 C PHE A 99 2.416 4.919 -2.405 1.00 0.30 C ATOM 1224 O PHE A 99 2.083 4.839 -1.225 1.00 0.31 O ATOM 1225 CB PHE A 99 2.011 7.334 -2.891 1.00 0.34 C ATOM 1226 CG PHE A 99 2.622 8.678 -3.199 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.343 9.360 -2.228 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.504 9.248 -4.461 1.00 0.77 C ATOM 1229 CE1 PHE A 99 3.930 10.577 -2.507 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.090 10.473 -4.736 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.805 11.133 -3.758 1.00 0.47 C ATOM 0 H PHE A 99 2.656 5.976 -5.018 1.00 0.32 H new ATOM 0 HA PHE A 99 3.891 6.462 -2.375 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.197 7.142 -3.590 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.574 7.360 -1.893 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.446 8.932 -1.242 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.952 8.732 -5.233 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.489 11.094 -1.741 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.987 10.912 -5.717 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.266 12.085 -3.975 1.00 0.47 H new ATOM 1241 N ILE A 100 2.263 3.932 -3.280 1.00 0.32 N ATOM 1242 CA ILE A 100 1.782 2.618 -2.885 1.00 0.32 C ATOM 1243 C ILE A 100 2.896 1.875 -2.154 1.00 0.34 C ATOM 1244 O ILE A 100 3.729 1.230 -2.789 1.00 0.43 O ATOM 1245 CB ILE A 100 1.340 1.765 -4.103 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.301 2.513 -4.936 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.788 0.424 -3.637 1.00 0.42 C ATOM 1248 CD1 ILE A 100 -0.081 1.799 -6.217 1.00 0.38 C ATOM 0 H ILE A 100 2.468 4.021 -4.275 1.00 0.32 H new ATOM 0 HA ILE A 100 0.916 2.767 -2.240 1.00 0.32 H new ATOM 0 HB ILE A 100 2.212 1.582 -4.731 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.595 2.664 -4.333 1.00 0.32 H new ATOM 0 HG13 ILE A 100 0.689 3.501 -5.183 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.482 -0.164 -4.502 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.559 -0.115 -3.086 1.00 0.42 H new ATOM 0 HG23 ILE A 100 -0.072 0.590 -2.988 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.822 2.389 -6.755 1.00 0.38 H new ATOM 0 HD12 ILE A 100 0.804 1.672 -6.840 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.500 0.822 -5.978 1.00 0.38 H new ATOM 1260 N ILE A 101 2.922 1.967 -0.832 1.00 0.32 N ATOM 1261 CA ILE A 101 4.023 1.399 -0.067 1.00 0.35 C ATOM 1262 C ILE A 101 3.870 -0.114 0.101 1.00 0.36 C ATOM 1263 O ILE A 101 4.846 -0.817 0.367 1.00 0.43 O ATOM 1264 CB ILE A 101 4.180 2.076 1.313 1.00 0.36 C ATOM 1265 CG1 ILE A 101 2.906 1.921 2.142 1.00 0.33 C ATOM 1266 CG2 ILE A 101 4.520 3.554 1.136 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.037 2.440 3.553 1.00 0.38 C ATOM 0 H ILE A 101 2.202 2.424 -0.272 1.00 0.32 H new ATOM 0 HA ILE A 101 4.929 1.592 -0.641 1.00 0.35 H new ATOM 0 HB ILE A 101 4.995 1.586 1.846 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.092 2.448 1.644 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.630 0.867 2.175 1.00 0.33 H new ATOM 0 HG21 ILE A 101 4.629 4.022 2.114 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.454 3.649 0.583 1.00 0.46 H new ATOM 0 HG23 ILE A 101 3.720 4.048 0.584 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.095 2.297 4.082 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.829 1.896 4.069 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.282 3.502 3.529 1.00 0.38 H new ATOM 1279 N GLY A 102 2.655 -0.617 -0.073 1.00 0.33 N ATOM 1280 CA GLY A 102 2.429 -2.045 0.026 1.00 0.39 C ATOM 1281 C GLY A 102 0.956 -2.379 -0.007 1.00 0.35 C ATOM 1282 O GLY A 102 0.145 -1.541 -0.408 1.00 0.35 O ATOM 0 H GLY A 102 1.824 -0.063 -0.280 1.00 0.33 H new ATOM 0 HA2 GLY A 102 2.936 -2.552 -0.795 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.867 -2.420 0.951 1.00 0.39 H new ATOM 1286 N GLU A 103 0.599 -3.586 0.407 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.802 -3.965 0.514 1.00 0.42 C ATOM 1288 C GLU A 103 -1.124 -4.488 1.905 1.00 0.37 C ATOM 1289 O GLU A 103 -0.262 -4.496 2.790 1.00 0.39 O ATOM 1290 CB GLU A 103 -1.195 -4.997 -0.550 1.00 0.52 C ATOM 1291 CG GLU A 103 -1.451 -4.370 -1.912 1.00 0.74 C ATOM 1292 CD GLU A 103 -2.367 -5.185 -2.814 1.00 1.22 C ATOM 1293 OE1 GLU A 103 -3.306 -5.817 -2.291 1.00 1.87 O ATOM 1294 OE2 GLU A 103 -2.123 -5.247 -4.043 1.00 1.85 O ATOM 0 H GLU A 103 1.258 -4.318 0.674 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.391 -3.065 0.339 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.402 -5.739 -0.640 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -2.091 -5.525 -0.224 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -1.888 -3.382 -1.768 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.496 -4.226 -2.418 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.360 -4.912 2.104 1.00 0.40 N ATOM 1302 CA LEU A 104 -2.802 -5.376 3.409 1.00 0.42 C ATOM 1303 C LEU A 104 -2.249 -6.767 3.713 1.00 0.42 C ATOM 1304 O LEU A 104 -1.581 -7.371 2.875 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.328 -5.391 3.469 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.010 -4.070 3.102 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -6.506 -4.171 3.318 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -4.434 -2.922 3.916 1.00 1.33 C ATOM 0 H LEU A 104 -3.076 -4.945 1.379 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.421 -4.688 4.163 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.694 -6.168 2.798 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -4.633 -5.670 4.477 1.00 0.51 H new ATOM 0 HG LEU A 104 -4.822 -3.870 2.047 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -6.977 -3.224 3.053 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -6.911 -4.966 2.692 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -6.708 -4.396 4.365 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -4.933 -1.993 3.639 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -4.589 -3.115 4.978 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -3.366 -2.834 3.716 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.506 -7.264 4.915 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.108 -8.621 5.277 1.00 0.53 C ATOM 1322 C HIS A 105 -2.894 -9.636 4.436 1.00 0.60 C ATOM 1323 O HIS A 105 -3.981 -9.317 3.965 1.00 0.64 O ATOM 1324 CB HIS A 105 -2.346 -8.861 6.777 1.00 0.68 C ATOM 1325 CG HIS A 105 -1.236 -9.610 7.442 1.00 1.13 C ATOM 1326 ND1 HIS A 105 -1.440 -10.714 8.239 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.103 -9.397 7.433 1.00 1.68 C ATOM 1328 CE1 HIS A 105 -0.277 -11.152 8.688 1.00 2.41 C ATOM 1329 NE2 HIS A 105 0.673 -10.368 8.214 1.00 2.37 N ATOM 0 H HIS A 105 -2.986 -6.752 5.655 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.045 -8.748 5.074 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.475 -7.900 7.275 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -3.276 -9.415 6.906 1.00 0.68 H new ATOM 0 HD2 HIS A 105 0.623 -8.609 6.908 1.00 1.68 H new ATOM 0 HE1 HIS A 105 -0.129 -12.006 9.333 1.00 2.41 H new ATOM 0 HE2 HIS A 105 1.671 -10.469 8.399 1.00 2.37 H new ATOM 1338 N PRO A 106 -2.324 -10.841 4.203 1.00 0.74 N ATOM 1339 CA PRO A 106 -2.958 -11.948 3.465 1.00 1.00 C ATOM 1340 C PRO A 106 -4.488 -11.999 3.556 1.00 1.18 C ATOM 1341 O PRO A 106 -5.178 -12.091 2.547 1.00 1.67 O ATOM 1342 CB PRO A 106 -2.345 -13.159 4.158 1.00 1.17 C ATOM 1343 CG PRO A 106 -0.956 -12.733 4.509 1.00 1.02 C ATOM 1344 CD PRO A 106 -0.963 -11.224 4.606 1.00 0.79 C ATOM 0 HA PRO A 106 -2.783 -11.867 2.392 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -2.911 -13.435 5.048 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -2.338 -14.029 3.502 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -0.644 -13.178 5.454 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -0.248 -13.067 3.751 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -0.739 -10.889 5.619 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -0.214 -10.780 3.950 1.00 0.79 H new ATOM 1352 N ASP A 107 -4.999 -11.931 4.782 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.410 -12.159 5.060 1.00 1.47 C ATOM 1354 C ASP A 107 -7.184 -10.857 4.905 1.00 1.22 C ATOM 1355 O ASP A 107 -8.350 -10.843 4.536 1.00 1.47 O ATOM 1356 CB ASP A 107 -6.566 -12.710 6.485 1.00 1.90 C ATOM 1357 CG ASP A 107 -7.953 -13.276 6.755 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -8.345 -14.258 6.086 1.00 3.27 O ATOM 1359 OD2 ASP A 107 -8.672 -12.727 7.618 1.00 3.31 O ATOM 0 H ASP A 107 -4.444 -11.716 5.610 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.810 -12.886 4.353 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.823 -13.490 6.650 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.358 -11.915 7.201 1.00 1.90 H new ATOM 1364 N ASP A 108 -6.493 -9.757 5.199 1.00 0.95 N ATOM 1365 CA ASP A 108 -7.072 -8.414 5.114 1.00 1.11 C ATOM 1366 C ASP A 108 -7.199 -7.992 3.658 1.00 1.14 C ATOM 1367 O ASP A 108 -8.022 -7.140 3.323 1.00 1.53 O ATOM 1368 CB ASP A 108 -6.207 -7.400 5.882 1.00 1.39 C ATOM 1369 CG ASP A 108 -6.186 -7.657 7.375 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -7.237 -8.059 7.924 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -5.124 -7.444 8.003 1.00 3.44 O ATOM 0 H ASP A 108 -5.519 -9.769 5.502 1.00 0.95 H new ATOM 0 HA ASP A 108 -8.063 -8.437 5.567 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -5.188 -7.435 5.498 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -6.584 -6.394 5.696 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.343 -8.568 2.806 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.472 -8.412 1.365 1.00 1.18 C ATOM 1378 C ARG A 109 -7.728 -9.133 0.914 1.00 1.48 C ATOM 1379 O ARG A 109 -7.768 -10.358 0.945 1.00 1.98 O ATOM 1380 CB ARG A 109 -5.242 -8.957 0.622 1.00 1.11 C ATOM 1381 CG ARG A 109 -3.967 -8.166 0.876 1.00 1.45 C ATOM 1382 CD ARG A 109 -2.795 -8.706 0.067 1.00 1.73 C ATOM 1383 NE ARG A 109 -2.811 -8.252 -1.326 1.00 2.25 N ATOM 1384 CZ ARG A 109 -2.270 -8.932 -2.340 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -1.715 -10.121 -2.141 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -2.268 -8.417 -3.558 1.00 3.35 N ATOM 0 H ARG A 109 -5.555 -9.146 3.097 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.541 -7.350 1.128 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -5.080 -9.993 0.919 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -5.448 -8.961 -0.448 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -4.132 -7.119 0.622 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.723 -8.202 1.938 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -1.861 -8.394 0.535 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -2.815 -9.796 0.090 1.00 1.73 H new ATOM 0 HE ARG A 109 -3.263 -7.362 -1.534 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -1.698 -10.526 -1.205 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -1.305 -10.630 -2.924 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -2.680 -7.499 -3.724 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -1.854 -8.938 -4.331 1.00 3.35 H new