USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 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 51 HIS : no HE2:sc= -0.892 K(o=0.39,f=-6.2!) USER MOD Set 1.2: A 55 TYR OH : rot 12:sc= 1.28 USER MOD Set 2.1: A 42 HIS : no HD1:sc= -0.583 K(o=-0.96,f=-2) USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.375 USER MOD Single : A 30 LYS NZ :NH3+ -159:sc= -0.225 (180deg=-0.748) 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 -69:sc= 1.07 USER MOD Single : A 38 GLN : amide:sc= 0.954 K(o=0.95,f=-0.12) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.589 K(o=-0.59,f=-2.2) USER MOD Single : A 41 ASN : amide:sc= 0.282 K(o=0.28,f=-4.7!) USER MOD Single : A 43 SER OG : rot 180:sc= 0.0725 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 72:sc= 0.943 USER MOD Single : A 52 HIS : no HE2:sc= -0.0886 K(o=-0.089,f=-1.7) USER MOD Single : A 53 LYS NZ :NH3+ 146:sc= 1.17 (180deg=1.05) USER MOD Single : A 58 THR OG1 : rot 129:sc= 1.26 USER MOD Single : A 59 LYS NZ :NH3+ -166:sc= -0.0114 (180deg=-0.161) USER MOD Single : A 64 HIS : no HD1:sc= 0.293 K(o=0.29,f=-1.8!) USER MOD Single : A 74 GLN : amide:sc= 0.995 K(o=1,f=-0.7) USER MOD Single : A 80 THR OG1 : rot -33:sc= 0.601 USER MOD Single : A 82 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0633 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 -102:sc= 1.29 USER MOD Single : A 97 LYS NZ :NH3+ -154:sc= 1.23 (180deg=0.643) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc= -4.5! C(o=-4.5!,f=-8.3!) USER MOD ----------------------------------------------------------------- ATOM 108 N VAL A 29 4.890 -10.608 -1.470 1.00 1.65 N ATOM 109 CA VAL A 29 4.254 -9.309 -1.679 1.00 1.29 C ATOM 110 C VAL A 29 4.084 -8.596 -0.339 1.00 1.04 C ATOM 111 O VAL A 29 3.601 -9.186 0.628 1.00 1.10 O ATOM 112 CB VAL A 29 2.882 -9.483 -2.382 1.00 1.34 C ATOM 113 CG1 VAL A 29 2.214 -8.149 -2.665 1.00 1.70 C ATOM 114 CG2 VAL A 29 3.044 -10.261 -3.677 1.00 1.82 C ATOM 0 HA VAL A 29 4.890 -8.702 -2.323 1.00 1.29 H new ATOM 0 HB VAL A 29 2.240 -10.041 -1.700 1.00 1.34 H new ATOM 0 HG11 VAL A 29 1.257 -8.319 -3.158 1.00 1.70 H new ATOM 0 HG12 VAL A 29 2.051 -7.618 -1.727 1.00 1.70 H new ATOM 0 HG13 VAL A 29 2.855 -7.552 -3.313 1.00 1.70 H new ATOM 0 HG21 VAL A 29 2.072 -10.374 -4.157 1.00 1.82 H new ATOM 0 HG22 VAL A 29 3.718 -9.722 -4.343 1.00 1.82 H new ATOM 0 HG23 VAL A 29 3.459 -11.246 -3.461 1.00 1.82 H new ATOM 124 N LYS A 30 4.489 -7.339 -0.281 1.00 0.90 N ATOM 125 CA LYS A 30 4.632 -6.661 0.994 1.00 0.79 C ATOM 126 C LYS A 30 3.302 -6.143 1.508 1.00 0.63 C ATOM 127 O LYS A 30 2.829 -5.091 1.089 1.00 0.66 O ATOM 128 CB LYS A 30 5.658 -5.534 0.892 1.00 0.87 C ATOM 129 CG LYS A 30 6.964 -6.007 0.287 1.00 1.26 C ATOM 130 CD LYS A 30 8.054 -4.958 0.357 1.00 2.11 C ATOM 131 CE LYS A 30 9.360 -5.512 -0.190 1.00 2.93 C ATOM 132 NZ LYS A 30 9.722 -6.806 0.452 1.00 3.71 N ATOM 0 H LYS A 30 4.723 -6.771 -1.096 1.00 0.90 H new ATOM 0 HA LYS A 30 4.994 -7.391 1.718 1.00 0.79 H new ATOM 0 HB2 LYS A 30 5.249 -4.726 0.285 1.00 0.87 H new ATOM 0 HB3 LYS A 30 5.846 -5.124 1.884 1.00 0.87 H new ATOM 0 HG2 LYS A 30 7.296 -6.906 0.807 1.00 1.26 H new ATOM 0 HG3 LYS A 30 6.798 -6.284 -0.754 1.00 1.26 H new ATOM 0 HD2 LYS A 30 7.758 -4.078 -0.214 1.00 2.11 H new ATOM 0 HD3 LYS A 30 8.192 -4.637 1.389 1.00 2.11 H new ATOM 0 HE2 LYS A 30 9.273 -5.652 -1.267 1.00 2.93 H new ATOM 0 HE3 LYS A 30 10.159 -4.789 -0.026 1.00 2.93 H new ATOM 0 HZ1 LYS A 30 10.742 -6.976 0.339 1.00 3.71 H new ATOM 0 HZ2 LYS A 30 9.488 -6.769 1.465 1.00 3.71 H new ATOM 0 HZ3 LYS A 30 9.190 -7.578 0.002 1.00 3.71 H new ATOM 146 N TYR A 31 2.714 -6.870 2.433 1.00 0.56 N ATOM 147 CA TYR A 31 1.464 -6.445 3.022 1.00 0.49 C ATOM 148 C TYR A 31 1.712 -5.733 4.350 1.00 0.50 C ATOM 149 O TYR A 31 2.759 -5.915 4.971 1.00 0.64 O ATOM 150 CB TYR A 31 0.528 -7.633 3.256 1.00 0.56 C ATOM 151 CG TYR A 31 0.409 -8.605 2.097 1.00 0.63 C ATOM 152 CD1 TYR A 31 -0.209 -8.237 0.908 1.00 0.61 C ATOM 153 CD2 TYR A 31 0.909 -9.897 2.203 1.00 0.81 C ATOM 154 CE1 TYR A 31 -0.328 -9.129 -0.139 1.00 0.75 C ATOM 155 CE2 TYR A 31 0.792 -10.795 1.161 1.00 0.94 C ATOM 156 CZ TYR A 31 0.175 -10.407 -0.009 1.00 0.89 C ATOM 157 OH TYR A 31 0.054 -11.302 -1.044 1.00 1.06 O ATOM 0 H TYR A 31 3.079 -7.753 2.791 1.00 0.56 H new ATOM 0 HA TYR A 31 0.991 -5.757 2.321 1.00 0.49 H new ATOM 0 HB2 TYR A 31 0.875 -8.180 4.133 1.00 0.56 H new ATOM 0 HB3 TYR A 31 -0.465 -7.251 3.491 1.00 0.56 H new ATOM 0 HD1 TYR A 31 -0.603 -7.237 0.801 1.00 0.61 H new ATOM 0 HD2 TYR A 31 1.397 -10.204 3.116 1.00 0.81 H new ATOM 0 HE1 TYR A 31 -0.813 -8.828 -1.056 1.00 0.75 H new ATOM 0 HE2 TYR A 31 1.182 -11.797 1.262 1.00 0.94 H new ATOM 0 HH TYR A 31 0.462 -12.155 -0.788 1.00 1.06 H new ATOM 167 N TYR A 32 0.750 -4.929 4.776 1.00 0.43 N ATOM 168 CA TYR A 32 0.740 -4.399 6.135 1.00 0.46 C ATOM 169 C TYR A 32 -0.584 -4.758 6.793 1.00 0.53 C ATOM 170 O TYR A 32 -1.582 -4.940 6.102 1.00 0.89 O ATOM 171 CB TYR A 32 0.983 -2.889 6.150 1.00 0.46 C ATOM 172 CG TYR A 32 2.389 -2.518 5.730 1.00 0.52 C ATOM 173 CD1 TYR A 32 3.429 -2.476 6.652 1.00 1.09 C ATOM 174 CD2 TYR A 32 2.670 -2.189 4.410 1.00 0.98 C ATOM 175 CE1 TYR A 32 4.708 -2.116 6.271 1.00 1.20 C ATOM 176 CE2 TYR A 32 3.946 -1.833 4.020 1.00 1.03 C ATOM 177 CZ TYR A 32 4.985 -1.877 4.963 1.00 0.81 C ATOM 178 OH TYR A 32 6.231 -1.435 4.568 1.00 0.96 O ATOM 0 H TYR A 32 -0.036 -4.627 4.201 1.00 0.43 H new ATOM 0 HA TYR A 32 1.556 -4.848 6.702 1.00 0.46 H new ATOM 0 HB2 TYR A 32 0.270 -2.404 5.484 1.00 0.46 H new ATOM 0 HB3 TYR A 32 0.795 -2.505 7.153 1.00 0.46 H new ATOM 0 HD1 TYR A 32 3.234 -2.729 7.684 1.00 1.09 H new ATOM 0 HD2 TYR A 32 1.877 -2.212 3.677 1.00 0.98 H new ATOM 0 HE1 TYR A 32 5.487 -2.025 7.013 1.00 1.20 H new ATOM 0 HE2 TYR A 32 4.142 -1.525 3.004 1.00 1.03 H new ATOM 0 HH TYR A 32 6.244 -1.320 3.595 1.00 0.96 H new ATOM 188 N THR A 33 -0.598 -4.923 8.104 1.00 0.48 N ATOM 189 CA THR A 33 -1.809 -5.361 8.776 1.00 0.57 C ATOM 190 C THR A 33 -2.796 -4.212 8.909 1.00 0.56 C ATOM 191 O THR A 33 -2.394 -3.052 8.988 1.00 0.60 O ATOM 192 CB THR A 33 -1.534 -5.976 10.166 1.00 0.72 C ATOM 193 OG1 THR A 33 -0.829 -5.047 10.993 1.00 0.77 O ATOM 194 CG2 THR A 33 -0.730 -7.262 10.045 1.00 0.82 C ATOM 0 H THR A 33 0.202 -4.763 8.717 1.00 0.48 H new ATOM 0 HA THR A 33 -2.240 -6.144 8.152 1.00 0.57 H new ATOM 0 HB THR A 33 -2.496 -6.207 10.623 1.00 0.72 H new ATOM 0 HG1 THR A 33 0.082 -4.930 10.650 1.00 0.77 H new ATOM 0 HG21 THR A 33 -0.551 -7.674 11.038 1.00 0.82 H new ATOM 0 HG22 THR A 33 -1.287 -7.984 9.448 1.00 0.82 H new ATOM 0 HG23 THR A 33 0.224 -7.051 9.562 1.00 0.82 H new ATOM 202 N LEU A 34 -4.079 -4.528 8.903 1.00 0.60 N ATOM 203 CA LEU A 34 -5.110 -3.509 9.014 1.00 0.64 C ATOM 204 C LEU A 34 -4.871 -2.642 10.251 1.00 0.58 C ATOM 205 O LEU A 34 -4.796 -1.414 10.175 1.00 0.59 O ATOM 206 CB LEU A 34 -6.485 -4.180 9.080 1.00 0.86 C ATOM 207 CG LEU A 34 -7.674 -3.220 9.159 1.00 1.02 C ATOM 208 CD1 LEU A 34 -7.780 -2.401 7.883 1.00 1.23 C ATOM 209 CD2 LEU A 34 -8.962 -3.983 9.415 1.00 1.46 C ATOM 0 H LEU A 34 -4.433 -5.481 8.823 1.00 0.60 H new ATOM 0 HA LEU A 34 -5.073 -2.862 8.137 1.00 0.64 H new ATOM 0 HB2 LEU A 34 -6.606 -4.812 8.200 1.00 0.86 H new ATOM 0 HB3 LEU A 34 -6.510 -4.837 9.950 1.00 0.86 H new ATOM 0 HG LEU A 34 -7.511 -2.538 9.993 1.00 1.02 H new ATOM 0 HD11 LEU A 34 -8.631 -1.723 7.955 1.00 1.23 H new ATOM 0 HD12 LEU A 34 -6.866 -1.823 7.745 1.00 1.23 H new ATOM 0 HD13 LEU A 34 -7.919 -3.069 7.033 1.00 1.23 H new ATOM 0 HD21 LEU A 34 -9.795 -3.283 9.468 1.00 1.46 H new ATOM 0 HD22 LEU A 34 -9.133 -4.690 8.604 1.00 1.46 H new ATOM 0 HD23 LEU A 34 -8.883 -4.524 10.358 1.00 1.46 H new ATOM 221 N GLU A 35 -4.702 -3.327 11.381 1.00 0.65 N ATOM 222 CA GLU A 35 -4.711 -2.705 12.697 1.00 0.77 C ATOM 223 C GLU A 35 -3.524 -1.778 12.914 1.00 0.73 C ATOM 224 O GLU A 35 -3.596 -0.848 13.715 1.00 0.88 O ATOM 225 CB GLU A 35 -4.740 -3.784 13.784 1.00 0.94 C ATOM 226 CG GLU A 35 -3.631 -4.815 13.675 1.00 1.41 C ATOM 227 CD GLU A 35 -3.642 -5.787 14.833 1.00 1.91 C ATOM 228 OE1 GLU A 35 -3.011 -5.488 15.870 1.00 2.34 O ATOM 229 OE2 GLU A 35 -4.263 -6.865 14.704 1.00 2.56 O ATOM 0 H GLU A 35 -4.554 -4.336 11.405 1.00 0.65 H new ATOM 0 HA GLU A 35 -5.611 -2.092 12.758 1.00 0.77 H new ATOM 0 HB2 GLU A 35 -4.676 -3.302 14.759 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -5.701 -4.297 13.744 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -3.738 -5.365 12.740 1.00 1.41 H new ATOM 0 HG3 GLU A 35 -2.667 -4.307 13.638 1.00 1.41 H new ATOM 236 N GLU A 36 -2.428 -2.053 12.205 1.00 0.63 N ATOM 237 CA GLU A 36 -1.197 -1.298 12.378 1.00 0.74 C ATOM 238 C GLU A 36 -1.273 -0.001 11.602 1.00 0.67 C ATOM 239 O GLU A 36 -0.653 0.992 11.956 1.00 0.82 O ATOM 240 CB GLU A 36 0.012 -2.115 11.921 1.00 0.85 C ATOM 241 CG GLU A 36 0.186 -2.193 10.412 1.00 0.95 C ATOM 242 CD GLU A 36 1.440 -2.937 10.008 1.00 1.24 C ATOM 243 OE1 GLU A 36 2.524 -2.317 9.999 1.00 1.76 O ATOM 244 OE2 GLU A 36 1.340 -4.147 9.705 1.00 1.67 O ATOM 0 H GLU A 36 -2.373 -2.794 11.507 1.00 0.63 H new ATOM 0 HA GLU A 36 -1.076 -1.074 13.438 1.00 0.74 H new ATOM 0 HB2 GLU A 36 0.913 -1.682 12.356 1.00 0.85 H new ATOM 0 HB3 GLU A 36 -0.078 -3.127 12.316 1.00 0.85 H new ATOM 0 HG2 GLU A 36 -0.682 -2.687 9.975 1.00 0.95 H new ATOM 0 HG3 GLU A 36 0.219 -1.184 10.001 1.00 0.95 H new ATOM 251 N ILE A 37 -2.039 -0.033 10.518 1.00 0.52 N ATOM 252 CA ILE A 37 -2.241 1.140 9.690 1.00 0.50 C ATOM 253 C ILE A 37 -3.159 2.119 10.410 1.00 0.53 C ATOM 254 O ILE A 37 -3.168 3.311 10.126 1.00 0.72 O ATOM 255 CB ILE A 37 -2.815 0.750 8.308 1.00 0.49 C ATOM 256 CG1 ILE A 37 -1.851 -0.218 7.609 1.00 0.51 C ATOM 257 CG2 ILE A 37 -3.047 1.986 7.448 1.00 0.54 C ATOM 258 CD1 ILE A 37 -2.389 -0.804 6.322 1.00 0.72 C ATOM 0 H ILE A 37 -2.531 -0.866 10.194 1.00 0.52 H new ATOM 0 HA ILE A 37 -1.279 1.622 9.517 1.00 0.50 H new ATOM 0 HB ILE A 37 -3.777 0.258 8.451 1.00 0.49 H new ATOM 0 HG12 ILE A 37 -0.919 0.305 7.396 1.00 0.51 H new ATOM 0 HG13 ILE A 37 -1.610 -1.032 8.293 1.00 0.51 H new ATOM 0 HG21 ILE A 37 -3.451 1.686 6.481 1.00 0.54 H new ATOM 0 HG22 ILE A 37 -3.754 2.649 7.947 1.00 0.54 H new ATOM 0 HG23 ILE A 37 -2.102 2.509 7.300 1.00 0.54 H new ATOM 0 HD11 ILE A 37 -1.648 -1.477 5.891 1.00 0.72 H new ATOM 0 HD12 ILE A 37 -3.305 -1.358 6.529 1.00 0.72 H new ATOM 0 HD13 ILE A 37 -2.603 -0.000 5.618 1.00 0.72 H new ATOM 270 N GLN A 38 -3.891 1.599 11.387 1.00 0.48 N ATOM 271 CA GLN A 38 -4.760 2.410 12.238 1.00 0.52 C ATOM 272 C GLN A 38 -3.937 3.297 13.167 1.00 0.54 C ATOM 273 O GLN A 38 -4.387 4.357 13.599 1.00 0.64 O ATOM 274 CB GLN A 38 -5.670 1.487 13.041 1.00 0.56 C ATOM 275 CG GLN A 38 -6.678 0.768 12.168 1.00 0.78 C ATOM 276 CD GLN A 38 -7.884 1.626 11.849 1.00 0.72 C ATOM 277 OE1 GLN A 38 -8.905 1.547 12.531 1.00 1.11 O ATOM 278 NE2 GLN A 38 -7.769 2.479 10.842 1.00 0.74 N ATOM 0 H GLN A 38 -3.901 0.605 11.614 1.00 0.48 H new ATOM 0 HA GLN A 38 -5.367 3.064 11.612 1.00 0.52 H new ATOM 0 HB2 GLN A 38 -5.063 0.753 13.570 1.00 0.56 H new ATOM 0 HB3 GLN A 38 -6.197 2.069 13.797 1.00 0.56 H new ATOM 0 HG2 GLN A 38 -6.197 0.463 11.239 1.00 0.78 H new ATOM 0 HG3 GLN A 38 -7.006 -0.142 12.671 1.00 0.78 H new ATOM 0 HE21 GLN A 38 -6.906 2.515 10.300 1.00 0.74 H new ATOM 0 HE22 GLN A 38 -8.544 3.100 10.609 1.00 0.74 H new ATOM 287 N LYS A 39 -2.733 2.840 13.485 1.00 0.54 N ATOM 288 CA LYS A 39 -1.827 3.590 14.347 1.00 0.62 C ATOM 289 C LYS A 39 -0.738 4.256 13.505 1.00 0.58 C ATOM 290 O LYS A 39 0.155 4.930 14.021 1.00 0.66 O ATOM 291 CB LYS A 39 -1.243 2.666 15.422 1.00 0.77 C ATOM 292 CG LYS A 39 -0.646 1.379 14.885 1.00 1.28 C ATOM 293 CD LYS A 39 -0.340 0.390 16.001 1.00 1.57 C ATOM 294 CE LYS A 39 -1.605 -0.028 16.737 1.00 2.08 C ATOM 295 NZ LYS A 39 -1.355 -1.108 17.728 1.00 2.52 N ATOM 0 H LYS A 39 -2.359 1.949 13.157 1.00 0.54 H new ATOM 0 HA LYS A 39 -2.375 4.381 14.859 1.00 0.62 H new ATOM 0 HB2 LYS A 39 -0.473 3.208 15.971 1.00 0.77 H new ATOM 0 HB3 LYS A 39 -2.028 2.418 16.136 1.00 0.77 H new ATOM 0 HG2 LYS A 39 -1.339 0.925 14.176 1.00 1.28 H new ATOM 0 HG3 LYS A 39 0.269 1.604 14.337 1.00 1.28 H new ATOM 0 HD2 LYS A 39 0.148 -0.491 15.584 1.00 1.57 H new ATOM 0 HD3 LYS A 39 0.360 0.839 16.705 1.00 1.57 H new ATOM 0 HE2 LYS A 39 -2.028 0.838 17.246 1.00 2.08 H new ATOM 0 HE3 LYS A 39 -2.347 -0.367 16.014 1.00 2.08 H new ATOM 0 HZ1 LYS A 39 -2.246 -1.357 18.202 1.00 2.52 H new ATOM 0 HZ2 LYS A 39 -0.976 -1.945 17.241 1.00 2.52 H new ATOM 0 HZ3 LYS A 39 -0.667 -0.778 18.435 1.00 2.52 H new ATOM 309 N HIS A 40 -0.834 4.043 12.195 1.00 0.53 N ATOM 310 CA HIS A 40 -0.001 4.731 11.212 1.00 0.56 C ATOM 311 C HIS A 40 -0.885 5.730 10.477 1.00 0.65 C ATOM 312 O HIS A 40 -0.897 5.815 9.251 1.00 0.93 O ATOM 313 CB HIS A 40 0.624 3.734 10.221 1.00 0.56 C ATOM 314 CG HIS A 40 1.673 2.836 10.816 1.00 0.93 C ATOM 315 ND1 HIS A 40 1.699 1.465 10.625 1.00 1.08 N ATOM 316 CD2 HIS A 40 2.754 3.120 11.580 1.00 1.39 C ATOM 317 CE1 HIS A 40 2.745 0.954 11.244 1.00 1.59 C ATOM 318 NE2 HIS A 40 3.402 1.934 11.831 1.00 1.80 N ATOM 0 H HIS A 40 -1.495 3.385 11.783 1.00 0.53 H new ATOM 0 HA HIS A 40 0.821 5.242 11.713 1.00 0.56 H new ATOM 0 HB2 HIS A 40 -0.168 3.116 9.799 1.00 0.56 H new ATOM 0 HB3 HIS A 40 1.067 4.291 9.396 1.00 0.56 H new ATOM 0 HD2 HIS A 40 3.052 4.098 11.928 1.00 1.39 H new ATOM 0 HE1 HIS A 40 3.017 -0.091 11.266 1.00 1.59 H new ATOM 0 HE2 HIS A 40 4.254 1.829 12.382 1.00 1.80 H new ATOM 327 N ASN A 41 -1.676 6.430 11.278 1.00 0.56 N ATOM 328 CA ASN A 41 -2.744 7.311 10.803 1.00 0.64 C ATOM 329 C ASN A 41 -2.395 8.776 11.060 1.00 0.82 C ATOM 330 O ASN A 41 -3.202 9.671 10.810 1.00 1.20 O ATOM 331 CB ASN A 41 -4.021 6.984 11.580 1.00 0.69 C ATOM 332 CG ASN A 41 -3.916 7.346 13.059 1.00 1.20 C ATOM 333 OD1 ASN A 41 -2.838 7.291 13.661 1.00 1.76 O ATOM 334 ND2 ASN A 41 -5.034 7.719 13.654 1.00 1.74 N ATOM 0 H ASN A 41 -1.596 6.404 12.294 1.00 0.56 H new ATOM 0 HA ASN A 41 -2.876 7.158 9.732 1.00 0.64 H new ATOM 0 HB2 ASN A 41 -4.859 7.521 11.137 1.00 0.69 H new ATOM 0 HB3 ASN A 41 -4.238 5.920 11.484 1.00 0.69 H new ATOM 0 HD21 ASN A 41 -5.026 7.973 14.642 1.00 1.74 H new ATOM 0 HD22 ASN A 41 -5.906 7.753 13.126 1.00 1.74 H new ATOM 341 N HIS A 42 -1.196 9.006 11.586 1.00 0.73 N ATOM 342 CA HIS A 42 -0.852 10.301 12.169 1.00 0.97 C ATOM 343 C HIS A 42 0.349 10.934 11.467 1.00 1.06 C ATOM 344 O HIS A 42 1.147 10.225 10.874 1.00 1.54 O ATOM 345 CB HIS A 42 -0.553 10.136 13.665 1.00 1.05 C ATOM 346 CG HIS A 42 0.701 9.360 13.943 1.00 0.90 C ATOM 347 ND1 HIS A 42 1.926 9.962 14.108 1.00 0.81 N ATOM 348 CD2 HIS A 42 0.924 8.026 14.026 1.00 1.14 C ATOM 349 CE1 HIS A 42 2.853 9.038 14.267 1.00 0.87 C ATOM 350 NE2 HIS A 42 2.273 7.852 14.229 1.00 1.08 N ATOM 0 H HIS A 42 -0.447 8.315 11.621 1.00 0.73 H new ATOM 0 HA HIS A 42 -1.706 10.965 12.035 1.00 0.97 H new ATOM 0 HB2 HIS A 42 -0.469 11.122 14.122 1.00 1.05 H new ATOM 0 HB3 HIS A 42 -1.395 9.634 14.142 1.00 1.05 H new ATOM 0 HD2 HIS A 42 0.181 7.246 13.947 1.00 1.14 H new ATOM 0 HE1 HIS A 42 3.909 9.220 14.405 1.00 0.87 H new ATOM 0 HE2 HIS A 42 2.747 6.955 14.333 1.00 1.08 H new ATOM 359 N SER A 43 0.483 12.255 11.630 1.00 1.01 N ATOM 360 CA SER A 43 1.465 13.103 10.925 1.00 1.12 C ATOM 361 C SER A 43 2.775 12.391 10.561 1.00 0.97 C ATOM 362 O SER A 43 3.096 12.216 9.385 1.00 1.05 O ATOM 363 CB SER A 43 1.771 14.309 11.810 1.00 1.34 C ATOM 364 OG SER A 43 0.581 14.815 12.387 1.00 2.00 O ATOM 0 H SER A 43 -0.104 12.784 12.274 1.00 1.01 H new ATOM 0 HA SER A 43 1.014 13.391 9.975 1.00 1.12 H new ATOM 0 HB2 SER A 43 2.470 14.023 12.596 1.00 1.34 H new ATOM 0 HB3 SER A 43 2.256 15.087 11.220 1.00 1.34 H new ATOM 0 HG SER A 43 0.794 15.586 12.953 1.00 2.00 H new ATOM 370 N LYS A 44 3.530 11.993 11.580 1.00 0.89 N ATOM 371 CA LYS A 44 4.877 11.442 11.401 1.00 0.89 C ATOM 372 C LYS A 44 4.877 10.043 10.778 1.00 0.77 C ATOM 373 O LYS A 44 5.934 9.422 10.647 1.00 0.94 O ATOM 374 CB LYS A 44 5.584 11.398 12.755 1.00 1.01 C ATOM 375 CG LYS A 44 6.066 12.759 13.222 1.00 1.53 C ATOM 376 CD LYS A 44 7.079 13.350 12.252 1.00 2.16 C ATOM 377 CE LYS A 44 7.511 14.744 12.679 1.00 2.63 C ATOM 378 NZ LYS A 44 8.517 15.326 11.748 1.00 3.26 N ATOM 0 H LYS A 44 3.230 12.042 12.554 1.00 0.89 H new ATOM 0 HA LYS A 44 5.404 12.096 10.706 1.00 0.89 H new ATOM 0 HB2 LYS A 44 4.903 10.986 13.500 1.00 1.01 H new ATOM 0 HB3 LYS A 44 6.435 10.720 12.691 1.00 1.01 H new ATOM 0 HG2 LYS A 44 5.216 13.434 13.320 1.00 1.53 H new ATOM 0 HG3 LYS A 44 6.516 12.668 14.211 1.00 1.53 H new ATOM 0 HD2 LYS A 44 7.952 12.699 12.194 1.00 2.16 H new ATOM 0 HD3 LYS A 44 6.646 13.392 11.253 1.00 2.16 H new ATOM 0 HE2 LYS A 44 6.639 15.396 12.724 1.00 2.63 H new ATOM 0 HE3 LYS A 44 7.929 14.702 13.685 1.00 2.63 H new ATOM 0 HZ1 LYS A 44 8.784 16.276 12.076 1.00 3.26 H new ATOM 0 HZ2 LYS A 44 9.360 14.718 11.724 1.00 3.26 H new ATOM 0 HZ3 LYS A 44 8.110 15.391 10.793 1.00 3.26 H new ATOM 392 N SER A 45 3.706 9.547 10.409 1.00 0.63 N ATOM 393 CA SER A 45 3.556 8.170 9.959 1.00 0.62 C ATOM 394 C SER A 45 2.247 8.000 9.192 1.00 0.65 C ATOM 395 O SER A 45 1.534 7.021 9.392 1.00 1.05 O ATOM 396 CB SER A 45 3.535 7.254 11.185 1.00 0.65 C ATOM 397 OG SER A 45 4.717 7.386 11.956 1.00 1.31 O ATOM 0 H SER A 45 2.838 10.083 10.412 1.00 0.63 H new ATOM 0 HA SER A 45 4.387 7.915 9.302 1.00 0.62 H new ATOM 0 HB2 SER A 45 2.669 7.492 11.803 1.00 0.65 H new ATOM 0 HB3 SER A 45 3.423 6.218 10.864 1.00 0.65 H new ATOM 0 HG SER A 45 4.670 6.789 12.732 1.00 1.31 H new ATOM 403 N THR A 46 1.932 8.968 8.335 1.00 0.43 N ATOM 404 CA THR A 46 0.585 9.098 7.790 1.00 0.42 C ATOM 405 C THR A 46 0.356 8.198 6.584 1.00 0.39 C ATOM 406 O THR A 46 0.623 8.599 5.447 1.00 0.47 O ATOM 407 CB THR A 46 0.290 10.556 7.370 1.00 0.51 C ATOM 408 OG1 THR A 46 0.720 11.465 8.386 1.00 0.77 O ATOM 409 CG2 THR A 46 -1.196 10.760 7.123 1.00 0.64 C ATOM 0 H THR A 46 2.591 9.673 8.004 1.00 0.43 H new ATOM 0 HA THR A 46 -0.090 8.793 8.590 1.00 0.42 H new ATOM 0 HB THR A 46 0.837 10.751 6.447 1.00 0.51 H new ATOM 0 HG1 THR A 46 1.699 11.508 8.393 1.00 0.77 H new ATOM 0 HG21 THR A 46 -1.377 11.794 6.829 1.00 0.64 H new ATOM 0 HG22 THR A 46 -1.528 10.093 6.327 1.00 0.64 H new ATOM 0 HG23 THR A 46 -1.750 10.540 8.035 1.00 0.64 H new ATOM 417 N TRP A 47 -0.157 6.995 6.828 1.00 0.37 N ATOM 418 CA TRP A 47 -0.518 6.093 5.746 1.00 0.36 C ATOM 419 C TRP A 47 -2.014 6.164 5.468 1.00 0.37 C ATOM 420 O TRP A 47 -2.762 6.797 6.214 1.00 0.50 O ATOM 421 CB TRP A 47 -0.152 4.635 6.063 1.00 0.37 C ATOM 422 CG TRP A 47 1.307 4.385 6.295 1.00 0.36 C ATOM 423 CD1 TRP A 47 2.342 5.254 6.097 1.00 0.38 C ATOM 424 CD2 TRP A 47 1.893 3.160 6.752 1.00 0.37 C ATOM 425 NE1 TRP A 47 3.533 4.649 6.418 1.00 0.40 N ATOM 426 CE2 TRP A 47 3.283 3.362 6.824 1.00 0.40 C ATOM 427 CE3 TRP A 47 1.371 1.915 7.116 1.00 0.40 C ATOM 428 CZ2 TRP A 47 4.160 2.360 7.242 1.00 0.45 C ATOM 429 CZ3 TRP A 47 2.241 0.924 7.527 1.00 0.45 C ATOM 430 CH2 TRP A 47 3.619 1.152 7.589 1.00 0.47 C ATOM 0 H TRP A 47 -0.330 6.626 7.763 1.00 0.37 H new ATOM 0 HA TRP A 47 0.047 6.415 4.871 1.00 0.36 H new ATOM 0 HB2 TRP A 47 -0.704 4.322 6.949 1.00 0.37 H new ATOM 0 HB3 TRP A 47 -0.487 4.005 5.239 1.00 0.37 H new ATOM 0 HD1 TRP A 47 2.239 6.268 5.740 1.00 0.38 H new ATOM 0 HE1 TRP A 47 4.453 5.085 6.363 1.00 0.40 H new ATOM 0 HE3 TRP A 47 0.307 1.732 7.077 1.00 0.40 H new ATOM 0 HZ2 TRP A 47 5.225 2.532 7.290 1.00 0.45 H new ATOM 0 HZ3 TRP A 47 1.850 -0.044 7.805 1.00 0.45 H new ATOM 0 HH2 TRP A 47 4.271 0.357 7.918 1.00 0.47 H new ATOM 441 N LEU A 48 -2.452 5.504 4.405 1.00 0.31 N ATOM 442 CA LEU A 48 -3.877 5.335 4.146 1.00 0.31 C ATOM 443 C LEU A 48 -4.104 4.145 3.226 1.00 0.28 C ATOM 444 O LEU A 48 -3.152 3.505 2.785 1.00 0.29 O ATOM 445 CB LEU A 48 -4.517 6.591 3.528 1.00 0.37 C ATOM 446 CG LEU A 48 -4.259 6.808 2.031 1.00 0.45 C ATOM 447 CD1 LEU A 48 -5.251 7.815 1.470 1.00 0.60 C ATOM 448 CD2 LEU A 48 -2.839 7.283 1.786 1.00 0.55 C ATOM 0 H LEU A 48 -1.842 5.077 3.708 1.00 0.31 H new ATOM 0 HA LEU A 48 -4.356 5.161 5.109 1.00 0.31 H new ATOM 0 HB2 LEU A 48 -5.594 6.542 3.688 1.00 0.37 H new ATOM 0 HB3 LEU A 48 -4.154 7.464 4.070 1.00 0.37 H new ATOM 0 HG LEU A 48 -4.391 5.854 1.521 1.00 0.45 H new ATOM 0 HD11 LEU A 48 -5.059 7.962 0.407 1.00 0.60 H new ATOM 0 HD12 LEU A 48 -6.266 7.441 1.607 1.00 0.60 H new ATOM 0 HD13 LEU A 48 -5.140 8.765 1.993 1.00 0.60 H new ATOM 0 HD21 LEU A 48 -2.683 7.429 0.717 1.00 0.55 H new ATOM 0 HD22 LEU A 48 -2.675 8.226 2.308 1.00 0.55 H new ATOM 0 HD23 LEU A 48 -2.137 6.536 2.156 1.00 0.55 H new ATOM 460 N ILE A 49 -5.361 3.853 2.947 1.00 0.34 N ATOM 461 CA ILE A 49 -5.717 2.819 1.994 1.00 0.36 C ATOM 462 C ILE A 49 -6.714 3.388 0.990 1.00 0.42 C ATOM 463 O ILE A 49 -7.707 3.991 1.370 1.00 0.65 O ATOM 464 CB ILE A 49 -6.326 1.585 2.703 1.00 0.39 C ATOM 465 CG1 ILE A 49 -5.403 1.109 3.833 1.00 0.38 C ATOM 466 CG2 ILE A 49 -6.569 0.458 1.708 1.00 0.49 C ATOM 467 CD1 ILE A 49 -5.984 -0.013 4.667 1.00 0.46 C ATOM 0 H ILE A 49 -6.160 4.323 3.372 1.00 0.34 H new ATOM 0 HA ILE A 49 -4.813 2.493 1.479 1.00 0.36 H new ATOM 0 HB ILE A 49 -7.284 1.875 3.133 1.00 0.39 H new ATOM 0 HG12 ILE A 49 -4.459 0.777 3.402 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -5.177 1.953 4.484 1.00 0.38 H new ATOM 0 HG21 ILE A 49 -6.997 -0.400 2.227 1.00 0.49 H new ATOM 0 HG22 ILE A 49 -7.260 0.797 0.936 1.00 0.49 H new ATOM 0 HG23 ILE A 49 -5.624 0.169 1.248 1.00 0.49 H new ATOM 0 HD11 ILE A 49 -5.273 -0.294 5.444 1.00 0.46 H new ATOM 0 HD12 ILE A 49 -6.913 0.320 5.129 1.00 0.46 H new ATOM 0 HD13 ILE A 49 -6.184 -0.874 4.030 1.00 0.46 H new ATOM 479 N LEU A 50 -6.439 3.235 -0.294 1.00 0.41 N ATOM 480 CA LEU A 50 -7.348 3.747 -1.315 1.00 0.53 C ATOM 481 C LEU A 50 -8.166 2.639 -1.948 1.00 0.78 C ATOM 482 O LEU A 50 -9.043 2.898 -2.761 1.00 1.77 O ATOM 483 CB LEU A 50 -6.578 4.519 -2.382 1.00 0.49 C ATOM 484 CG LEU A 50 -6.327 5.988 -2.039 1.00 0.49 C ATOM 485 CD1 LEU A 50 -5.715 6.716 -3.225 1.00 0.93 C ATOM 486 CD2 LEU A 50 -7.630 6.652 -1.603 1.00 0.99 C ATOM 0 H LEU A 50 -5.607 2.768 -0.655 1.00 0.41 H new ATOM 0 HA LEU A 50 -8.042 4.427 -0.822 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -5.619 4.028 -2.548 1.00 0.49 H new ATOM 0 HB3 LEU A 50 -7.130 4.466 -3.321 1.00 0.49 H new ATOM 0 HG LEU A 50 -5.619 6.042 -1.212 1.00 0.49 H new ATOM 0 HD11 LEU A 50 -5.544 7.760 -2.962 1.00 0.93 H new ATOM 0 HD12 LEU A 50 -4.767 6.248 -3.489 1.00 0.93 H new ATOM 0 HD13 LEU A 50 -6.395 6.663 -4.075 1.00 0.93 H new ATOM 0 HD21 LEU A 50 -7.442 7.698 -1.361 1.00 0.99 H new ATOM 0 HD22 LEU A 50 -8.357 6.592 -2.413 1.00 0.99 H new ATOM 0 HD23 LEU A 50 -8.023 6.141 -0.724 1.00 0.99 H new ATOM 498 N HIS A 51 -7.860 1.406 -1.576 1.00 0.67 N ATOM 499 CA HIS A 51 -8.566 0.244 -2.097 1.00 0.73 C ATOM 500 C HIS A 51 -8.115 -1.014 -1.359 1.00 0.82 C ATOM 501 O HIS A 51 -8.787 -1.466 -0.442 1.00 1.80 O ATOM 502 CB HIS A 51 -8.422 0.099 -3.637 1.00 0.79 C ATOM 503 CG HIS A 51 -7.035 0.272 -4.216 1.00 1.23 C ATOM 504 ND1 HIS A 51 -6.633 -0.357 -5.373 1.00 1.87 N ATOM 505 CD2 HIS A 51 -5.978 1.024 -3.824 1.00 1.56 C ATOM 506 CE1 HIS A 51 -5.396 -0.003 -5.662 1.00 2.45 C ATOM 507 NE2 HIS A 51 -4.973 0.835 -4.739 1.00 2.30 N ATOM 0 H HIS A 51 -7.121 1.182 -0.909 1.00 0.67 H new ATOM 0 HA HIS A 51 -9.631 0.390 -1.914 1.00 0.73 H new ATOM 0 HB2 HIS A 51 -8.787 -0.889 -3.920 1.00 0.79 H new ATOM 0 HB3 HIS A 51 -9.080 0.829 -4.109 1.00 0.79 H new ATOM 0 HD1 HIS A 51 -7.205 -0.999 -5.923 1.00 1.87 H new ATOM 0 HD2 HIS A 51 -5.934 1.657 -2.950 1.00 1.56 H new ATOM 0 HE1 HIS A 51 -4.825 -0.344 -6.513 1.00 2.45 H new ATOM 516 N HIS A 52 -6.974 -1.570 -1.737 1.00 0.46 N ATOM 517 CA HIS A 52 -6.409 -2.719 -1.023 1.00 0.42 C ATOM 518 C HIS A 52 -4.895 -2.594 -0.966 1.00 0.43 C ATOM 519 O HIS A 52 -4.179 -3.558 -0.697 1.00 0.81 O ATOM 520 CB HIS A 52 -6.822 -4.044 -1.672 1.00 0.58 C ATOM 521 CG HIS A 52 -8.228 -4.453 -1.340 1.00 1.12 C ATOM 522 ND1 HIS A 52 -8.554 -5.297 -0.297 1.00 1.75 N ATOM 523 CD2 HIS A 52 -9.399 -4.112 -1.916 1.00 1.81 C ATOM 524 CE1 HIS A 52 -9.864 -5.455 -0.256 1.00 2.34 C ATOM 525 NE2 HIS A 52 -10.403 -4.744 -1.228 1.00 2.36 N ATOM 0 H HIS A 52 -6.418 -1.250 -2.530 1.00 0.46 H new ATOM 0 HA HIS A 52 -6.805 -2.720 -0.008 1.00 0.42 H new ATOM 0 HB2 HIS A 52 -6.722 -3.958 -2.754 1.00 0.58 H new ATOM 0 HB3 HIS A 52 -6.137 -4.828 -1.350 1.00 0.58 H new ATOM 0 HD1 HIS A 52 -7.887 -5.730 0.342 1.00 1.75 H new ATOM 0 HD2 HIS A 52 -9.524 -3.458 -2.767 1.00 1.81 H new ATOM 0 HE1 HIS A 52 -10.404 -6.064 0.454 1.00 2.34 H new ATOM 534 N LYS A 53 -4.426 -1.382 -1.239 1.00 0.33 N ATOM 535 CA LYS A 53 -3.016 -1.047 -1.151 1.00 0.36 C ATOM 536 C LYS A 53 -2.854 0.049 -0.116 1.00 0.29 C ATOM 537 O LYS A 53 -3.705 0.941 -0.041 1.00 0.32 O ATOM 538 CB LYS A 53 -2.468 -0.543 -2.487 1.00 0.45 C ATOM 539 CG LYS A 53 -2.473 -1.570 -3.604 1.00 0.66 C ATOM 540 CD LYS A 53 -1.081 -2.123 -3.856 1.00 0.95 C ATOM 541 CE LYS A 53 -1.020 -2.946 -5.136 1.00 1.25 C ATOM 542 NZ LYS A 53 0.378 -3.318 -5.481 1.00 1.76 N ATOM 0 H LYS A 53 -5.018 -0.603 -1.528 1.00 0.33 H new ATOM 0 HA LYS A 53 -2.463 -1.945 -0.876 1.00 0.36 H new ATOM 0 HB2 LYS A 53 -3.055 0.319 -2.803 1.00 0.45 H new ATOM 0 HB3 LYS A 53 -1.446 -0.195 -2.337 1.00 0.45 H new ATOM 0 HG2 LYS A 53 -3.149 -2.386 -3.347 1.00 0.66 H new ATOM 0 HG3 LYS A 53 -2.856 -1.114 -4.517 1.00 0.66 H new ATOM 0 HD2 LYS A 53 -0.369 -1.300 -3.919 1.00 0.95 H new ATOM 0 HD3 LYS A 53 -0.778 -2.742 -3.012 1.00 0.95 H new ATOM 0 HE2 LYS A 53 -1.619 -3.849 -5.018 1.00 1.25 H new ATOM 0 HE3 LYS A 53 -1.459 -2.378 -5.956 1.00 1.25 H new ATOM 0 HZ1 LYS A 53 0.387 -4.257 -5.928 1.00 1.76 H new ATOM 0 HZ2 LYS A 53 0.771 -2.617 -6.141 1.00 1.76 H new ATOM 0 HZ3 LYS A 53 0.955 -3.341 -4.616 1.00 1.76 H new ATOM 556 N VAL A 54 -1.793 0.003 0.660 1.00 0.27 N ATOM 557 CA VAL A 54 -1.522 1.060 1.618 1.00 0.25 C ATOM 558 C VAL A 54 -0.615 2.116 0.978 1.00 0.23 C ATOM 559 O VAL A 54 0.324 1.789 0.247 1.00 0.25 O ATOM 560 CB VAL A 54 -0.886 0.506 2.915 1.00 0.28 C ATOM 561 CG1 VAL A 54 0.371 -0.293 2.619 1.00 0.30 C ATOM 562 CG2 VAL A 54 -0.586 1.631 3.894 1.00 0.32 C ATOM 0 H VAL A 54 -1.105 -0.750 0.649 1.00 0.27 H new ATOM 0 HA VAL A 54 -2.470 1.521 1.896 1.00 0.25 H new ATOM 0 HB VAL A 54 -1.610 -0.168 3.374 1.00 0.28 H new ATOM 0 HG11 VAL A 54 0.792 -0.668 3.552 1.00 0.30 H new ATOM 0 HG12 VAL A 54 0.124 -1.133 1.970 1.00 0.30 H new ATOM 0 HG13 VAL A 54 1.101 0.347 2.123 1.00 0.30 H new ATOM 0 HG21 VAL A 54 -0.139 1.217 4.798 1.00 0.32 H new ATOM 0 HG22 VAL A 54 0.108 2.336 3.436 1.00 0.32 H new ATOM 0 HG23 VAL A 54 -1.511 2.147 4.150 1.00 0.32 H new ATOM 572 N TYR A 55 -0.923 3.379 1.213 1.00 0.23 N ATOM 573 CA TYR A 55 -0.123 4.474 0.679 1.00 0.25 C ATOM 574 C TYR A 55 0.469 5.282 1.822 1.00 0.27 C ATOM 575 O TYR A 55 0.041 5.138 2.963 1.00 0.35 O ATOM 576 CB TYR A 55 -0.959 5.402 -0.216 1.00 0.27 C ATOM 577 CG TYR A 55 -1.555 4.752 -1.447 1.00 0.27 C ATOM 578 CD1 TYR A 55 -2.466 3.711 -1.339 1.00 0.74 C ATOM 579 CD2 TYR A 55 -1.209 5.190 -2.719 1.00 0.83 C ATOM 580 CE1 TYR A 55 -3.014 3.122 -2.458 1.00 0.77 C ATOM 581 CE2 TYR A 55 -1.755 4.608 -3.846 1.00 0.85 C ATOM 582 CZ TYR A 55 -2.658 3.572 -3.710 1.00 0.42 C ATOM 583 OH TYR A 55 -3.199 2.976 -4.829 1.00 0.49 O ATOM 0 H TYR A 55 -1.723 3.675 1.772 1.00 0.23 H new ATOM 0 HA TYR A 55 0.672 4.040 0.073 1.00 0.25 H new ATOM 0 HB2 TYR A 55 -1.769 5.822 0.381 1.00 0.27 H new ATOM 0 HB3 TYR A 55 -0.332 6.235 -0.533 1.00 0.27 H new ATOM 0 HD1 TYR A 55 -2.751 3.356 -0.360 1.00 0.74 H new ATOM 0 HD2 TYR A 55 -0.502 5.999 -2.828 1.00 0.83 H new ATOM 0 HE1 TYR A 55 -3.720 2.311 -2.354 1.00 0.77 H new ATOM 0 HE2 TYR A 55 -1.477 4.961 -4.828 1.00 0.85 H new ATOM 0 HH TYR A 55 -3.943 2.396 -4.563 1.00 0.49 H new ATOM 593 N ASP A 56 1.430 6.133 1.517 1.00 0.34 N ATOM 594 CA ASP A 56 1.990 7.046 2.508 1.00 0.38 C ATOM 595 C ASP A 56 1.874 8.479 2.011 1.00 0.38 C ATOM 596 O ASP A 56 1.958 8.726 0.809 1.00 0.48 O ATOM 597 CB ASP A 56 3.463 6.714 2.797 1.00 0.47 C ATOM 598 CG ASP A 56 4.145 7.742 3.692 1.00 0.63 C ATOM 599 OD1 ASP A 56 4.051 7.622 4.930 1.00 1.32 O ATOM 600 OD2 ASP A 56 4.793 8.667 3.159 1.00 0.94 O ATOM 0 H ASP A 56 1.844 6.215 0.588 1.00 0.34 H new ATOM 0 HA ASP A 56 1.426 6.932 3.434 1.00 0.38 H new ATOM 0 HB2 ASP A 56 3.522 5.734 3.270 1.00 0.47 H new ATOM 0 HB3 ASP A 56 4.005 6.646 1.854 1.00 0.47 H new ATOM 605 N LEU A 57 1.638 9.417 2.913 1.00 0.37 N ATOM 606 CA LEU A 57 1.751 10.821 2.556 1.00 0.39 C ATOM 607 C LEU A 57 2.926 11.415 3.305 1.00 0.51 C ATOM 608 O LEU A 57 3.967 11.694 2.712 1.00 1.12 O ATOM 609 CB LEU A 57 0.495 11.657 2.867 1.00 0.45 C ATOM 610 CG LEU A 57 -0.852 11.126 2.359 1.00 0.53 C ATOM 611 CD1 LEU A 57 -0.764 10.729 0.898 1.00 1.35 C ATOM 612 CD2 LEU A 57 -1.355 9.970 3.215 1.00 1.27 C ATOM 0 H LEU A 57 1.372 9.237 3.881 1.00 0.37 H new ATOM 0 HA LEU A 57 1.886 10.857 1.475 1.00 0.39 H new ATOM 0 HB2 LEU A 57 0.426 11.770 3.949 1.00 0.45 H new ATOM 0 HB3 LEU A 57 0.642 12.654 2.451 1.00 0.45 H new ATOM 0 HG LEU A 57 -1.578 11.934 2.444 1.00 0.53 H new ATOM 0 HD11 LEU A 57 -1.732 10.356 0.563 1.00 1.35 H new ATOM 0 HD12 LEU A 57 -0.483 11.597 0.301 1.00 1.35 H new ATOM 0 HD13 LEU A 57 -0.013 9.948 0.778 1.00 1.35 H new ATOM 0 HD21 LEU A 57 -2.311 9.619 2.827 1.00 1.27 H new ATOM 0 HD22 LEU A 57 -0.631 9.156 3.188 1.00 1.27 H new ATOM 0 HD23 LEU A 57 -1.483 10.308 4.243 1.00 1.27 H new ATOM 624 N THR A 58 2.727 11.561 4.625 1.00 0.54 N ATOM 625 CA THR A 58 3.726 12.076 5.561 1.00 0.56 C ATOM 626 C THR A 58 4.344 13.405 5.111 1.00 0.66 C ATOM 627 O THR A 58 4.026 14.460 5.658 1.00 1.15 O ATOM 628 CB THR A 58 4.816 11.021 5.823 1.00 0.65 C ATOM 629 OG1 THR A 58 4.209 9.839 6.365 1.00 1.43 O ATOM 630 CG2 THR A 58 5.872 11.535 6.795 1.00 1.12 C ATOM 0 H THR A 58 1.845 11.317 5.076 1.00 0.54 H new ATOM 0 HA THR A 58 3.203 12.285 6.494 1.00 0.56 H new ATOM 0 HB THR A 58 5.307 10.798 4.876 1.00 0.65 H new ATOM 0 HG1 THR A 58 4.495 9.058 5.847 1.00 1.43 H new ATOM 0 HG21 THR A 58 6.625 10.763 6.956 1.00 1.12 H new ATOM 0 HG22 THR A 58 6.347 12.424 6.380 1.00 1.12 H new ATOM 0 HG23 THR A 58 5.401 11.786 7.745 1.00 1.12 H new ATOM 638 N LYS A 59 5.216 13.350 4.120 1.00 0.57 N ATOM 639 CA LYS A 59 5.872 14.533 3.593 1.00 0.58 C ATOM 640 C LYS A 59 4.972 15.226 2.579 1.00 0.48 C ATOM 641 O LYS A 59 5.110 16.416 2.303 1.00 0.54 O ATOM 642 CB LYS A 59 7.212 14.131 2.960 1.00 0.69 C ATOM 643 CG LYS A 59 8.235 13.643 3.983 1.00 1.37 C ATOM 644 CD LYS A 59 9.561 13.245 3.341 1.00 1.96 C ATOM 645 CE LYS A 59 9.470 11.919 2.589 1.00 2.58 C ATOM 646 NZ LYS A 59 9.251 10.763 3.503 1.00 3.59 N ATOM 0 H LYS A 59 5.489 12.483 3.658 1.00 0.57 H new ATOM 0 HA LYS A 59 6.065 15.237 4.403 1.00 0.58 H new ATOM 0 HB2 LYS A 59 7.039 13.345 2.225 1.00 0.69 H new ATOM 0 HB3 LYS A 59 7.624 14.985 2.422 1.00 0.69 H new ATOM 0 HG2 LYS A 59 8.412 14.429 4.718 1.00 1.37 H new ATOM 0 HG3 LYS A 59 7.825 12.789 4.522 1.00 1.37 H new ATOM 0 HD2 LYS A 59 9.878 14.029 2.653 1.00 1.96 H new ATOM 0 HD3 LYS A 59 10.327 13.170 4.113 1.00 1.96 H new ATOM 0 HE2 LYS A 59 8.654 11.968 1.868 1.00 2.58 H new ATOM 0 HE3 LYS A 59 10.388 11.762 2.022 1.00 2.58 H new ATOM 0 HZ1 LYS A 59 9.431 9.876 2.990 1.00 3.59 H new ATOM 0 HZ2 LYS A 59 9.900 10.833 4.313 1.00 3.59 H new ATOM 0 HZ3 LYS A 59 8.269 10.772 3.845 1.00 3.59 H new ATOM 660 N PHE A 60 4.028 14.447 2.038 1.00 0.40 N ATOM 661 CA PHE A 60 3.201 14.877 0.911 1.00 0.35 C ATOM 662 C PHE A 60 2.179 15.941 1.328 1.00 0.36 C ATOM 663 O PHE A 60 1.496 16.534 0.488 1.00 0.40 O ATOM 664 CB PHE A 60 2.504 13.660 0.277 1.00 0.37 C ATOM 665 CG PHE A 60 1.926 13.943 -1.088 1.00 0.76 C ATOM 666 CD1 PHE A 60 2.730 14.384 -2.125 1.00 1.40 C ATOM 667 CD2 PHE A 60 0.568 13.767 -1.331 1.00 1.62 C ATOM 668 CE1 PHE A 60 2.197 14.646 -3.373 1.00 1.72 C ATOM 669 CE2 PHE A 60 0.029 14.026 -2.576 1.00 2.01 C ATOM 670 CZ PHE A 60 0.878 14.461 -3.613 1.00 1.72 C ATOM 0 H PHE A 60 3.819 13.505 2.369 1.00 0.40 H new ATOM 0 HA PHE A 60 3.853 15.337 0.169 1.00 0.35 H new ATOM 0 HB2 PHE A 60 3.220 12.842 0.198 1.00 0.37 H new ATOM 0 HB3 PHE A 60 1.706 13.323 0.938 1.00 0.37 H new ATOM 0 HD1 PHE A 60 3.787 14.525 -1.957 1.00 1.40 H new ATOM 0 HD2 PHE A 60 -0.075 13.423 -0.534 1.00 1.62 H new ATOM 0 HE1 PHE A 60 2.840 15.002 -4.165 1.00 1.72 H new ATOM 0 HE2 PHE A 60 -1.029 13.897 -2.752 1.00 2.01 H new ATOM 0 HZ PHE A 60 0.477 14.647 -4.598 1.00 1.72 H new ATOM 680 N LEU A 61 2.067 16.110 2.650 1.00 0.38 N ATOM 681 CA LEU A 61 0.983 16.852 3.301 1.00 0.44 C ATOM 682 C LEU A 61 0.915 18.306 2.871 1.00 0.47 C ATOM 683 O LEU A 61 -0.170 18.885 2.850 1.00 0.60 O ATOM 684 CB LEU A 61 1.141 16.778 4.829 1.00 0.50 C ATOM 685 CG LEU A 61 1.024 15.376 5.442 1.00 0.56 C ATOM 686 CD1 LEU A 61 1.051 15.457 6.962 1.00 0.72 C ATOM 687 CD2 LEU A 61 -0.245 14.685 4.969 1.00 0.61 C ATOM 0 H LEU A 61 2.742 15.726 3.311 1.00 0.38 H new ATOM 0 HA LEU A 61 0.051 16.380 2.990 1.00 0.44 H new ATOM 0 HB2 LEU A 61 2.114 17.191 5.096 1.00 0.50 H new ATOM 0 HB3 LEU A 61 0.386 17.418 5.286 1.00 0.50 H new ATOM 0 HG LEU A 61 1.878 14.785 5.110 1.00 0.56 H new ATOM 0 HD11 LEU A 61 0.967 14.454 7.381 1.00 0.72 H new ATOM 0 HD12 LEU A 61 1.989 15.908 7.286 1.00 0.72 H new ATOM 0 HD13 LEU A 61 0.216 16.066 7.309 1.00 0.72 H new ATOM 0 HD21 LEU A 61 -0.307 13.693 5.416 1.00 0.61 H new ATOM 0 HD22 LEU A 61 -1.113 15.273 5.268 1.00 0.61 H new ATOM 0 HD23 LEU A 61 -0.226 14.593 3.883 1.00 0.61 H new ATOM 699 N GLU A 62 2.078 18.893 2.571 1.00 0.46 N ATOM 700 CA GLU A 62 2.169 20.307 2.203 1.00 0.55 C ATOM 701 C GLU A 62 2.309 20.466 0.690 1.00 0.53 C ATOM 702 O GLU A 62 2.367 21.581 0.169 1.00 0.72 O ATOM 703 CB GLU A 62 3.354 20.958 2.931 1.00 0.68 C ATOM 704 CG GLU A 62 4.671 20.211 2.773 1.00 0.99 C ATOM 705 CD GLU A 62 5.832 20.911 3.458 1.00 1.22 C ATOM 706 OE1 GLU A 62 5.953 20.814 4.697 1.00 1.62 O ATOM 707 OE2 GLU A 62 6.626 21.566 2.759 1.00 1.60 O ATOM 0 H GLU A 62 2.974 18.406 2.576 1.00 0.46 H new ATOM 0 HA GLU A 62 1.250 20.809 2.507 1.00 0.55 H new ATOM 0 HB2 GLU A 62 3.479 21.975 2.560 1.00 0.68 H new ATOM 0 HB3 GLU A 62 3.117 21.033 3.992 1.00 0.68 H new ATOM 0 HG2 GLU A 62 4.565 19.207 3.184 1.00 0.99 H new ATOM 0 HG3 GLU A 62 4.895 20.100 1.712 1.00 0.99 H new ATOM 714 N GLU A 63 2.357 19.326 0.004 1.00 0.42 N ATOM 715 CA GLU A 63 2.564 19.275 -1.442 1.00 0.48 C ATOM 716 C GLU A 63 1.240 18.971 -2.152 1.00 0.46 C ATOM 717 O GLU A 63 1.107 19.148 -3.365 1.00 0.66 O ATOM 718 CB GLU A 63 3.597 18.186 -1.761 1.00 0.59 C ATOM 719 CG GLU A 63 3.996 18.107 -3.230 1.00 1.05 C ATOM 720 CD GLU A 63 4.954 19.205 -3.650 1.00 1.31 C ATOM 721 OE1 GLU A 63 4.474 20.309 -3.983 1.00 2.03 O ATOM 722 OE2 GLU A 63 6.184 18.979 -3.625 1.00 1.83 O ATOM 0 H GLU A 63 2.253 18.408 0.437 1.00 0.42 H new ATOM 0 HA GLU A 63 2.931 20.239 -1.793 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.491 18.364 -1.163 1.00 0.59 H new ATOM 0 HB3 GLU A 63 3.195 17.220 -1.454 1.00 0.59 H new ATOM 0 HG2 GLU A 63 4.457 17.138 -3.423 1.00 1.05 H new ATOM 0 HG3 GLU A 63 3.099 18.161 -3.847 1.00 1.05 H new ATOM 729 N HIS A 64 0.274 18.485 -1.372 1.00 0.33 N ATOM 730 CA HIS A 64 -1.055 18.153 -1.879 1.00 0.32 C ATOM 731 C HIS A 64 -1.974 19.374 -1.790 1.00 0.42 C ATOM 732 O HIS A 64 -1.986 20.067 -0.773 1.00 0.52 O ATOM 733 CB HIS A 64 -1.638 16.981 -1.079 1.00 0.38 C ATOM 734 CG HIS A 64 -2.980 16.411 -1.513 1.00 0.36 C ATOM 735 ND1 HIS A 64 -4.182 16.688 -0.884 1.00 0.44 N ATOM 736 CD2 HIS A 64 -3.247 15.526 -2.535 1.00 0.34 C ATOM 737 CE1 HIS A 64 -5.150 15.985 -1.507 1.00 0.43 C ATOM 738 NE2 HIS A 64 -4.614 15.279 -2.508 1.00 0.36 N ATOM 0 H HIS A 64 0.392 18.311 -0.374 1.00 0.33 H new ATOM 0 HA HIS A 64 -0.975 17.858 -2.925 1.00 0.32 H new ATOM 0 HB2 HIS A 64 -0.910 16.170 -1.098 1.00 0.38 H new ATOM 0 HB3 HIS A 64 -1.732 17.300 -0.041 1.00 0.38 H new ATOM 0 HD2 HIS A 64 -2.531 15.105 -3.225 1.00 0.34 H new ATOM 0 HE1 HIS A 64 -6.196 15.991 -1.239 1.00 0.43 H new ATOM 0 HE2 HIS A 64 -5.122 14.664 -3.144 1.00 0.36 H new ATOM 746 N PRO A 65 -2.770 19.635 -2.847 1.00 0.51 N ATOM 747 CA PRO A 65 -3.615 20.831 -2.939 1.00 0.73 C ATOM 748 C PRO A 65 -4.863 20.744 -2.061 1.00 0.90 C ATOM 749 O PRO A 65 -5.523 21.748 -1.796 1.00 1.46 O ATOM 750 CB PRO A 65 -4.025 20.884 -4.419 1.00 0.96 C ATOM 751 CG PRO A 65 -3.326 19.748 -5.100 1.00 0.81 C ATOM 752 CD PRO A 65 -2.921 18.781 -4.030 1.00 0.55 C ATOM 0 HA PRO A 65 -3.079 21.716 -2.595 1.00 0.73 H new ATOM 0 HB2 PRO A 65 -5.106 20.792 -4.525 1.00 0.96 H new ATOM 0 HB3 PRO A 65 -3.741 21.837 -4.865 1.00 0.96 H new ATOM 0 HG2 PRO A 65 -3.984 19.269 -5.825 1.00 0.81 H new ATOM 0 HG3 PRO A 65 -2.454 20.104 -5.648 1.00 0.81 H new ATOM 0 HD2 PRO A 65 -3.676 18.010 -3.877 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -1.991 18.270 -4.280 1.00 0.55 H new ATOM 760 N GLY A 66 -5.171 19.532 -1.618 1.00 1.08 N ATOM 761 CA GLY A 66 -6.447 19.271 -0.983 1.00 1.38 C ATOM 762 C GLY A 66 -6.422 19.445 0.518 1.00 1.38 C ATOM 763 O GLY A 66 -7.437 19.233 1.178 1.00 2.03 O ATOM 0 H GLY A 66 -4.556 18.721 -1.688 1.00 1.08 H new ATOM 0 HA2 GLY A 66 -7.197 19.939 -1.406 1.00 1.38 H new ATOM 0 HA3 GLY A 66 -6.759 18.253 -1.217 1.00 1.38 H new ATOM 767 N GLY A 67 -5.264 19.802 1.063 1.00 1.25 N ATOM 768 CA GLY A 67 -5.184 20.112 2.474 1.00 1.70 C ATOM 769 C GLY A 67 -4.123 19.324 3.213 1.00 1.24 C ATOM 770 O GLY A 67 -3.435 18.488 2.634 1.00 1.66 O ATOM 0 H GLY A 67 -4.384 19.881 0.553 1.00 1.25 H new ATOM 0 HA2 GLY A 67 -4.981 21.176 2.592 1.00 1.70 H new ATOM 0 HA3 GLY A 67 -6.153 19.920 2.934 1.00 1.70 H new ATOM 774 N GLU A 68 -4.004 19.619 4.502 1.00 1.38 N ATOM 775 CA GLU A 68 -3.078 18.934 5.398 1.00 1.18 C ATOM 776 C GLU A 68 -3.886 18.200 6.460 1.00 0.94 C ATOM 777 O GLU A 68 -3.786 16.989 6.653 1.00 0.98 O ATOM 778 CB GLU A 68 -2.157 19.957 6.077 1.00 1.50 C ATOM 779 CG GLU A 68 -1.158 19.338 7.050 1.00 1.48 C ATOM 780 CD GLU A 68 -0.750 20.293 8.161 1.00 2.09 C ATOM 781 OE1 GLU A 68 0.036 21.228 7.890 1.00 2.88 O ATOM 782 OE2 GLU A 68 -1.210 20.117 9.306 1.00 2.25 O ATOM 0 H GLU A 68 -4.552 20.347 4.960 1.00 1.38 H new ATOM 0 HA GLU A 68 -2.469 18.229 4.832 1.00 1.18 H new ATOM 0 HB2 GLU A 68 -1.610 20.505 5.310 1.00 1.50 H new ATOM 0 HB3 GLU A 68 -2.769 20.683 6.612 1.00 1.50 H new ATOM 0 HG2 GLU A 68 -1.594 18.441 7.490 1.00 1.48 H new ATOM 0 HG3 GLU A 68 -0.270 19.025 6.502 1.00 1.48 H new ATOM 789 N GLU A 69 -4.729 18.991 7.102 1.00 0.91 N ATOM 790 CA GLU A 69 -5.472 18.606 8.292 1.00 0.84 C ATOM 791 C GLU A 69 -6.524 17.545 8.001 1.00 0.75 C ATOM 792 O GLU A 69 -6.800 16.697 8.843 1.00 0.78 O ATOM 793 CB GLU A 69 -6.122 19.853 8.919 1.00 0.97 C ATOM 794 CG GLU A 69 -7.080 20.616 8.003 1.00 1.64 C ATOM 795 CD GLU A 69 -6.388 21.282 6.824 1.00 1.97 C ATOM 796 OE1 GLU A 69 -5.875 22.406 6.987 1.00 2.27 O ATOM 797 OE2 GLU A 69 -6.380 20.705 5.719 1.00 2.63 O ATOM 0 H GLU A 69 -4.922 19.947 6.802 1.00 0.91 H new ATOM 0 HA GLU A 69 -4.767 18.164 8.996 1.00 0.84 H new ATOM 0 HB2 GLU A 69 -6.665 19.549 9.814 1.00 0.97 H new ATOM 0 HB3 GLU A 69 -5.332 20.533 9.240 1.00 0.97 H new ATOM 0 HG2 GLU A 69 -7.838 19.928 7.628 1.00 1.64 H new ATOM 0 HG3 GLU A 69 -7.600 21.376 8.586 1.00 1.64 H new ATOM 804 N VAL A 70 -7.121 17.611 6.814 1.00 0.79 N ATOM 805 CA VAL A 70 -8.189 16.686 6.445 1.00 0.86 C ATOM 806 C VAL A 70 -7.638 15.388 5.870 1.00 0.82 C ATOM 807 O VAL A 70 -8.389 14.451 5.609 1.00 1.01 O ATOM 808 CB VAL A 70 -9.197 17.312 5.458 1.00 1.09 C ATOM 809 CG1 VAL A 70 -10.003 18.404 6.144 1.00 1.96 C ATOM 810 CG2 VAL A 70 -8.488 17.862 4.230 1.00 1.41 C ATOM 0 H VAL A 70 -6.885 18.293 6.093 1.00 0.79 H new ATOM 0 HA VAL A 70 -8.721 16.460 7.369 1.00 0.86 H new ATOM 0 HB VAL A 70 -9.881 16.530 5.129 1.00 1.09 H new ATOM 0 HG11 VAL A 70 -10.709 18.835 5.434 1.00 1.96 H new ATOM 0 HG12 VAL A 70 -10.549 17.979 6.986 1.00 1.96 H new ATOM 0 HG13 VAL A 70 -9.329 19.182 6.504 1.00 1.96 H new ATOM 0 HG21 VAL A 70 -9.221 18.297 3.551 1.00 1.41 H new ATOM 0 HG22 VAL A 70 -7.775 18.628 4.534 1.00 1.41 H new ATOM 0 HG23 VAL A 70 -7.959 17.055 3.723 1.00 1.41 H new ATOM 820 N LEU A 71 -6.326 15.334 5.672 1.00 0.72 N ATOM 821 CA LEU A 71 -5.662 14.080 5.333 1.00 0.74 C ATOM 822 C LEU A 71 -5.672 13.178 6.561 1.00 0.70 C ATOM 823 O LEU A 71 -5.832 11.966 6.475 1.00 0.77 O ATOM 824 CB LEU A 71 -4.227 14.345 4.853 1.00 0.84 C ATOM 825 CG LEU A 71 -4.057 14.504 3.335 1.00 1.10 C ATOM 826 CD1 LEU A 71 -4.351 13.189 2.628 1.00 1.62 C ATOM 827 CD2 LEU A 71 -4.961 15.602 2.793 1.00 1.69 C ATOM 0 H LEU A 71 -5.703 16.139 5.740 1.00 0.72 H new ATOM 0 HA LEU A 71 -6.192 13.586 4.519 1.00 0.74 H new ATOM 0 HB2 LEU A 71 -3.861 15.250 5.339 1.00 0.84 H new ATOM 0 HB3 LEU A 71 -3.593 13.524 5.188 1.00 0.84 H new ATOM 0 HG LEU A 71 -3.022 14.788 3.142 1.00 1.10 H new ATOM 0 HD11 LEU A 71 -4.226 13.318 1.553 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -3.662 12.423 2.984 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -5.375 12.883 2.840 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.819 15.692 1.716 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -6.001 15.353 3.002 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -4.711 16.549 3.272 1.00 1.69 H new ATOM 839 N ARG A 72 -5.542 13.837 7.713 1.00 0.70 N ATOM 840 CA ARG A 72 -5.477 13.206 9.033 1.00 0.78 C ATOM 841 C ARG A 72 -6.785 12.486 9.376 1.00 0.92 C ATOM 842 O ARG A 72 -6.858 11.708 10.326 1.00 1.03 O ATOM 843 CB ARG A 72 -5.200 14.319 10.049 1.00 0.77 C ATOM 844 CG ARG A 72 -4.915 13.853 11.466 1.00 1.42 C ATOM 845 CD ARG A 72 -4.609 15.045 12.360 1.00 1.49 C ATOM 846 NE ARG A 72 -4.273 14.664 13.732 1.00 2.11 N ATOM 847 CZ ARG A 72 -3.720 15.496 14.615 1.00 2.48 C ATOM 848 NH1 ARG A 72 -3.422 16.743 14.262 1.00 2.24 N ATOM 849 NH2 ARG A 72 -3.467 15.080 15.846 1.00 3.47 N ATOM 0 H ARG A 72 -5.477 14.854 7.755 1.00 0.70 H new ATOM 0 HA ARG A 72 -4.690 12.452 9.049 1.00 0.78 H new ATOM 0 HB2 ARG A 72 -4.349 14.903 9.699 1.00 0.77 H new ATOM 0 HB3 ARG A 72 -6.059 14.989 10.071 1.00 0.77 H new ATOM 0 HG2 ARG A 72 -5.774 13.307 11.857 1.00 1.42 H new ATOM 0 HG3 ARG A 72 -4.071 13.163 11.467 1.00 1.42 H new ATOM 0 HD2 ARG A 72 -3.780 15.608 11.933 1.00 1.49 H new ATOM 0 HD3 ARG A 72 -5.472 15.711 12.375 1.00 1.49 H new ATOM 0 HE ARG A 72 -4.473 13.709 14.029 1.00 2.11 H new ATOM 0 HH11 ARG A 72 -3.616 17.065 13.314 1.00 2.24 H new ATOM 0 HH12 ARG A 72 -2.999 17.378 14.939 1.00 2.24 H new ATOM 0 HH21 ARG A 72 -3.695 14.124 16.118 1.00 3.47 H new ATOM 0 HH22 ARG A 72 -3.044 15.716 16.522 1.00 3.47 H new ATOM 863 N GLU A 73 -7.817 12.800 8.594 1.00 1.13 N ATOM 864 CA GLU A 73 -9.172 12.310 8.816 1.00 1.55 C ATOM 865 C GLU A 73 -9.406 10.997 8.081 1.00 1.28 C ATOM 866 O GLU A 73 -10.129 10.121 8.554 1.00 1.60 O ATOM 867 CB GLU A 73 -10.166 13.360 8.307 1.00 1.97 C ATOM 868 CG GLU A 73 -11.619 12.937 8.412 1.00 2.63 C ATOM 869 CD GLU A 73 -12.552 13.903 7.715 1.00 3.18 C ATOM 870 OE1 GLU A 73 -12.761 13.753 6.494 1.00 3.65 O ATOM 871 OE2 GLU A 73 -13.084 14.811 8.385 1.00 3.55 O ATOM 0 H GLU A 73 -7.732 13.409 7.780 1.00 1.13 H new ATOM 0 HA GLU A 73 -9.312 12.135 9.883 1.00 1.55 H new ATOM 0 HB2 GLU A 73 -10.025 14.282 8.871 1.00 1.97 H new ATOM 0 HB3 GLU A 73 -9.938 13.586 7.265 1.00 1.97 H new ATOM 0 HG2 GLU A 73 -11.738 11.944 7.978 1.00 2.63 H new ATOM 0 HG3 GLU A 73 -11.898 12.861 9.463 1.00 2.63 H new ATOM 878 N GLN A 74 -8.806 10.897 6.904 1.00 0.77 N ATOM 879 CA GLN A 74 -9.022 9.768 6.007 1.00 0.62 C ATOM 880 C GLN A 74 -7.852 8.795 6.083 1.00 0.56 C ATOM 881 O GLN A 74 -7.893 7.702 5.524 1.00 0.64 O ATOM 882 CB GLN A 74 -9.184 10.297 4.581 1.00 0.63 C ATOM 883 CG GLN A 74 -10.353 11.261 4.431 1.00 0.76 C ATOM 884 CD GLN A 74 -11.699 10.586 4.595 1.00 1.00 C ATOM 885 OE1 GLN A 74 -11.871 9.423 4.235 1.00 1.57 O ATOM 886 NE2 GLN A 74 -12.660 11.303 5.158 1.00 1.68 N ATOM 0 H GLN A 74 -8.156 11.595 6.543 1.00 0.77 H new ATOM 0 HA GLN A 74 -9.923 9.232 6.304 1.00 0.62 H new ATOM 0 HB2 GLN A 74 -8.265 10.800 4.280 1.00 0.63 H new ATOM 0 HB3 GLN A 74 -9.325 9.456 3.902 1.00 0.63 H new ATOM 0 HG2 GLN A 74 -10.259 12.056 5.170 1.00 0.76 H new ATOM 0 HG3 GLN A 74 -10.306 11.732 3.449 1.00 0.76 H new ATOM 0 HE21 GLN A 74 -12.478 12.265 5.443 1.00 1.68 H new ATOM 0 HE22 GLN A 74 -13.582 10.893 5.306 1.00 1.68 H new ATOM 895 N ALA A 75 -6.800 9.221 6.770 1.00 0.55 N ATOM 896 CA ALA A 75 -5.595 8.418 6.917 1.00 0.58 C ATOM 897 C ALA A 75 -5.740 7.434 8.070 1.00 0.52 C ATOM 898 O ALA A 75 -6.323 7.761 9.105 1.00 0.70 O ATOM 899 CB ALA A 75 -4.390 9.316 7.138 1.00 0.70 C ATOM 0 H ALA A 75 -6.758 10.126 7.238 1.00 0.55 H new ATOM 0 HA ALA A 75 -5.446 7.849 5.999 1.00 0.58 H new ATOM 0 HB1 ALA A 75 -3.495 8.704 7.247 1.00 0.70 H new ATOM 0 HB2 ALA A 75 -4.272 9.983 6.284 1.00 0.70 H new ATOM 0 HB3 ALA A 75 -4.537 9.907 8.042 1.00 0.70 H new ATOM 905 N GLY A 76 -5.200 6.239 7.890 1.00 0.49 N ATOM 906 CA GLY A 76 -5.319 5.206 8.906 1.00 0.58 C ATOM 907 C GLY A 76 -6.097 4.012 8.412 1.00 0.48 C ATOM 908 O GLY A 76 -5.934 2.903 8.915 1.00 0.72 O ATOM 0 H GLY A 76 -4.680 5.962 7.058 1.00 0.49 H new ATOM 0 HA2 GLY A 76 -4.324 4.887 9.216 1.00 0.58 H new ATOM 0 HA3 GLY A 76 -5.810 5.619 9.787 1.00 0.58 H new ATOM 912 N GLY A 77 -6.953 4.240 7.434 1.00 0.42 N ATOM 913 CA GLY A 77 -7.698 3.163 6.823 1.00 0.52 C ATOM 914 C GLY A 77 -8.045 3.510 5.405 1.00 0.44 C ATOM 915 O GLY A 77 -7.327 4.288 4.777 1.00 0.78 O ATOM 0 H GLY A 77 -7.148 5.164 7.047 1.00 0.42 H new ATOM 0 HA2 GLY A 77 -7.110 2.246 6.847 1.00 0.52 H new ATOM 0 HA3 GLY A 77 -8.608 2.973 7.391 1.00 0.52 H new ATOM 919 N ASP A 78 -9.130 2.966 4.885 1.00 0.55 N ATOM 920 CA ASP A 78 -9.488 3.250 3.510 1.00 0.72 C ATOM 921 C ASP A 78 -10.171 4.609 3.404 1.00 0.67 C ATOM 922 O ASP A 78 -10.963 4.984 4.265 1.00 1.04 O ATOM 923 CB ASP A 78 -10.350 2.145 2.888 1.00 1.14 C ATOM 924 CG ASP A 78 -11.763 2.115 3.422 1.00 1.82 C ATOM 925 OD1 ASP A 78 -11.962 1.658 4.570 1.00 2.28 O ATOM 926 OD2 ASP A 78 -12.688 2.514 2.683 1.00 2.59 O ATOM 0 H ASP A 78 -9.765 2.340 5.381 1.00 0.55 H new ATOM 0 HA ASP A 78 -8.562 3.281 2.935 1.00 0.72 H new ATOM 0 HB2 ASP A 78 -10.381 2.283 1.807 1.00 1.14 H new ATOM 0 HB3 ASP A 78 -9.879 1.180 3.073 1.00 1.14 H new ATOM 931 N ALA A 79 -9.843 5.343 2.356 1.00 0.54 N ATOM 932 CA ALA A 79 -10.455 6.639 2.109 1.00 0.58 C ATOM 933 C ALA A 79 -11.266 6.610 0.813 1.00 0.56 C ATOM 934 O ALA A 79 -11.664 7.647 0.279 1.00 0.67 O ATOM 935 CB ALA A 79 -9.381 7.716 2.045 1.00 0.73 C ATOM 0 H ALA A 79 -9.153 5.063 1.659 1.00 0.54 H new ATOM 0 HA ALA A 79 -11.134 6.870 2.930 1.00 0.58 H new ATOM 0 HB1 ALA A 79 -9.847 8.684 1.860 1.00 0.73 H new ATOM 0 HB2 ALA A 79 -8.841 7.748 2.991 1.00 0.73 H new ATOM 0 HB3 ALA A 79 -8.685 7.488 1.238 1.00 0.73 H new ATOM 941 N THR A 80 -11.532 5.406 0.320 1.00 0.54 N ATOM 942 CA THR A 80 -12.122 5.231 -1.004 1.00 0.60 C ATOM 943 C THR A 80 -13.616 5.582 -1.033 1.00 0.65 C ATOM 944 O THR A 80 -14.235 5.574 -2.097 1.00 0.84 O ATOM 945 CB THR A 80 -11.888 3.798 -1.534 1.00 0.66 C ATOM 946 OG1 THR A 80 -12.388 3.673 -2.873 1.00 0.84 O ATOM 947 CG2 THR A 80 -12.556 2.760 -0.642 1.00 0.70 C ATOM 0 H THR A 80 -11.349 4.535 0.817 1.00 0.54 H new ATOM 0 HA THR A 80 -11.615 5.933 -1.666 1.00 0.60 H new ATOM 0 HB THR A 80 -10.813 3.617 -1.529 1.00 0.66 H new ATOM 0 HG1 THR A 80 -13.181 4.239 -2.980 1.00 0.84 H new ATOM 0 HG21 THR A 80 -12.372 1.763 -1.043 1.00 0.70 H new ATOM 0 HG22 THR A 80 -12.145 2.827 0.365 1.00 0.70 H new ATOM 0 HG23 THR A 80 -13.630 2.945 -0.609 1.00 0.70 H new ATOM 955 N GLU A 81 -14.181 5.891 0.134 1.00 0.65 N ATOM 956 CA GLU A 81 -15.535 6.447 0.230 1.00 0.79 C ATOM 957 C GLU A 81 -15.666 7.634 -0.725 1.00 0.85 C ATOM 958 O GLU A 81 -16.556 7.702 -1.571 1.00 0.98 O ATOM 959 CB GLU A 81 -15.778 6.903 1.679 1.00 0.91 C ATOM 960 CG GLU A 81 -17.092 7.642 1.914 1.00 1.54 C ATOM 961 CD GLU A 81 -18.296 6.724 2.034 1.00 1.82 C ATOM 962 OE1 GLU A 81 -18.822 6.286 0.996 1.00 2.27 O ATOM 963 OE2 GLU A 81 -18.742 6.465 3.175 1.00 2.27 O ATOM 0 H GLU A 81 -13.719 5.765 1.035 1.00 0.65 H new ATOM 0 HA GLU A 81 -16.273 5.693 -0.044 1.00 0.79 H new ATOM 0 HB2 GLU A 81 -15.750 6.028 2.328 1.00 0.91 H new ATOM 0 HB3 GLU A 81 -14.956 7.551 1.982 1.00 0.91 H new ATOM 0 HG2 GLU A 81 -17.007 8.236 2.824 1.00 1.54 H new ATOM 0 HG3 GLU A 81 -17.258 8.339 1.093 1.00 1.54 H new ATOM 970 N ASN A 82 -14.713 8.558 -0.570 1.00 0.82 N ATOM 971 CA ASN A 82 -14.654 9.797 -1.339 1.00 0.90 C ATOM 972 C ASN A 82 -14.452 9.509 -2.818 1.00 0.94 C ATOM 973 O ASN A 82 -15.002 10.178 -3.685 1.00 1.09 O ATOM 974 CB ASN A 82 -13.502 10.663 -0.813 1.00 0.93 C ATOM 975 CG ASN A 82 -13.354 11.977 -1.563 1.00 1.70 C ATOM 976 OD1 ASN A 82 -13.990 12.972 -1.221 1.00 2.41 O ATOM 977 ND2 ASN A 82 -12.495 11.994 -2.578 1.00 2.40 N ATOM 0 H ASN A 82 -13.953 8.462 0.103 1.00 0.82 H new ATOM 0 HA ASN A 82 -15.599 10.328 -1.223 1.00 0.90 H new ATOM 0 HB2 ASN A 82 -13.665 10.871 0.244 1.00 0.93 H new ATOM 0 HB3 ASN A 82 -12.570 10.102 -0.887 1.00 0.93 H new ATOM 0 HD21 ASN A 82 -12.344 12.855 -3.104 1.00 2.40 H new ATOM 0 HD22 ASN A 82 -11.987 11.146 -2.830 1.00 2.40 H new ATOM 984 N PHE A 83 -13.619 8.495 -3.070 1.00 0.85 N ATOM 985 CA PHE A 83 -13.112 8.185 -4.405 1.00 0.89 C ATOM 986 C PHE A 83 -14.220 7.722 -5.336 1.00 1.02 C ATOM 987 O PHE A 83 -14.132 7.887 -6.551 1.00 1.17 O ATOM 988 CB PHE A 83 -12.026 7.102 -4.313 1.00 0.81 C ATOM 989 CG PHE A 83 -11.354 6.801 -5.629 1.00 0.86 C ATOM 990 CD1 PHE A 83 -10.332 7.614 -6.099 1.00 0.97 C ATOM 991 CD2 PHE A 83 -11.745 5.711 -6.396 1.00 1.20 C ATOM 992 CE1 PHE A 83 -9.715 7.348 -7.310 1.00 1.06 C ATOM 993 CE2 PHE A 83 -11.131 5.442 -7.605 1.00 1.33 C ATOM 994 CZ PHE A 83 -10.117 6.261 -8.064 1.00 1.13 C ATOM 0 H PHE A 83 -13.277 7.863 -2.346 1.00 0.85 H new ATOM 0 HA PHE A 83 -12.688 9.100 -4.819 1.00 0.89 H new ATOM 0 HB2 PHE A 83 -11.270 7.418 -3.594 1.00 0.81 H new ATOM 0 HB3 PHE A 83 -12.471 6.186 -3.925 1.00 0.81 H new ATOM 0 HD1 PHE A 83 -10.014 8.464 -5.513 1.00 0.97 H new ATOM 0 HD2 PHE A 83 -12.537 5.067 -6.044 1.00 1.20 H new ATOM 0 HE1 PHE A 83 -8.921 7.989 -7.665 1.00 1.06 H new ATOM 0 HE2 PHE A 83 -11.444 4.591 -8.191 1.00 1.33 H new ATOM 0 HZ PHE A 83 -9.639 6.052 -9.010 1.00 1.13 H new ATOM 1004 N GLU A 84 -15.247 7.108 -4.751 1.00 1.00 N ATOM 1005 CA GLU A 84 -16.340 6.528 -5.518 1.00 1.14 C ATOM 1006 C GLU A 84 -17.398 7.580 -5.830 1.00 1.24 C ATOM 1007 O GLU A 84 -18.357 7.326 -6.563 1.00 1.46 O ATOM 1008 CB GLU A 84 -16.951 5.352 -4.750 1.00 1.20 C ATOM 1009 CG GLU A 84 -15.978 4.195 -4.559 1.00 1.33 C ATOM 1010 CD GLU A 84 -16.674 2.862 -4.365 1.00 1.72 C ATOM 1011 OE1 GLU A 84 -17.143 2.587 -3.242 1.00 2.19 O ATOM 1012 OE2 GLU A 84 -16.760 2.088 -5.344 1.00 2.30 O ATOM 0 H GLU A 84 -15.342 7.001 -3.741 1.00 1.00 H new ATOM 0 HA GLU A 84 -15.946 6.159 -6.465 1.00 1.14 H new ATOM 0 HB2 GLU A 84 -17.290 5.699 -3.774 1.00 1.20 H new ATOM 0 HB3 GLU A 84 -17.831 4.995 -5.284 1.00 1.20 H new ATOM 0 HG2 GLU A 84 -15.321 4.133 -5.427 1.00 1.33 H new ATOM 0 HG3 GLU A 84 -15.346 4.398 -3.694 1.00 1.33 H new ATOM 1019 N ASP A 85 -17.216 8.759 -5.238 1.00 1.18 N ATOM 1020 CA ASP A 85 -18.107 9.891 -5.457 1.00 1.34 C ATOM 1021 C ASP A 85 -17.426 10.916 -6.355 1.00 1.45 C ATOM 1022 O ASP A 85 -18.054 11.510 -7.228 1.00 1.90 O ATOM 1023 CB ASP A 85 -18.489 10.538 -4.124 1.00 1.35 C ATOM 1024 CG ASP A 85 -19.611 11.548 -4.277 1.00 1.62 C ATOM 1025 OD1 ASP A 85 -20.721 11.155 -4.682 1.00 1.88 O ATOM 1026 OD2 ASP A 85 -19.376 12.746 -4.004 1.00 1.81 O ATOM 0 H ASP A 85 -16.448 8.954 -4.595 1.00 1.18 H new ATOM 0 HA ASP A 85 -19.015 9.533 -5.942 1.00 1.34 H new ATOM 0 HB2 ASP A 85 -18.793 9.763 -3.420 1.00 1.35 H new ATOM 0 HB3 ASP A 85 -17.615 11.030 -3.698 1.00 1.35 H new ATOM 1031 N VAL A 86 -16.139 11.125 -6.103 1.00 1.34 N ATOM 1032 CA VAL A 86 -15.301 11.953 -6.950 1.00 1.50 C ATOM 1033 C VAL A 86 -13.850 11.468 -6.843 1.00 1.26 C ATOM 1034 O VAL A 86 -13.156 11.710 -5.852 1.00 1.87 O ATOM 1035 CB VAL A 86 -15.439 13.460 -6.603 1.00 2.10 C ATOM 1036 CG1 VAL A 86 -15.243 13.713 -5.111 1.00 2.70 C ATOM 1037 CG2 VAL A 86 -14.472 14.299 -7.427 1.00 2.64 C ATOM 0 H VAL A 86 -15.650 10.723 -5.303 1.00 1.34 H new ATOM 0 HA VAL A 86 -15.631 11.854 -7.984 1.00 1.50 H new ATOM 0 HB VAL A 86 -16.455 13.762 -6.857 1.00 2.10 H new ATOM 0 HG11 VAL A 86 -15.347 14.779 -4.906 1.00 2.70 H new ATOM 0 HG12 VAL A 86 -15.994 13.160 -4.546 1.00 2.70 H new ATOM 0 HG13 VAL A 86 -14.248 13.381 -4.813 1.00 2.70 H new ATOM 0 HG21 VAL A 86 -14.589 15.351 -7.165 1.00 2.64 H new ATOM 0 HG22 VAL A 86 -13.449 13.984 -7.219 1.00 2.64 H new ATOM 0 HG23 VAL A 86 -14.685 14.163 -8.487 1.00 2.64 H new ATOM 1047 N GLY A 87 -13.408 10.757 -7.869 1.00 1.38 N ATOM 1048 CA GLY A 87 -12.170 10.013 -7.779 1.00 1.82 C ATOM 1049 C GLY A 87 -11.024 10.613 -8.565 1.00 1.46 C ATOM 1050 O GLY A 87 -10.437 9.938 -9.417 1.00 2.23 O ATOM 0 H GLY A 87 -13.887 10.682 -8.766 1.00 1.38 H new ATOM 0 HA2 GLY A 87 -11.878 9.941 -6.731 1.00 1.82 H new ATOM 0 HA3 GLY A 87 -12.344 8.996 -8.132 1.00 1.82 H new ATOM 1054 N HIS A 88 -10.700 11.872 -8.273 1.00 1.05 N ATOM 1055 CA HIS A 88 -9.516 12.532 -8.837 1.00 0.81 C ATOM 1056 C HIS A 88 -9.620 12.771 -10.347 1.00 0.89 C ATOM 1057 O HIS A 88 -10.541 12.289 -11.006 1.00 1.32 O ATOM 1058 CB HIS A 88 -8.251 11.722 -8.523 1.00 0.89 C ATOM 1059 CG HIS A 88 -7.755 11.893 -7.123 1.00 0.58 C ATOM 1060 ND1 HIS A 88 -7.852 10.927 -6.121 1.00 0.88 N ATOM 1061 CD2 HIS A 88 -7.100 12.941 -6.570 1.00 0.65 C ATOM 1062 CE1 HIS A 88 -7.263 11.423 -5.018 1.00 0.98 C ATOM 1063 NE2 HIS A 88 -6.802 12.620 -5.267 1.00 0.48 N ATOM 0 H HIS A 88 -11.244 12.462 -7.644 1.00 1.05 H new ATOM 0 HA HIS A 88 -9.456 13.512 -8.364 1.00 0.81 H new ATOM 0 HB2 HIS A 88 -8.454 10.666 -8.700 1.00 0.89 H new ATOM 0 HB3 HIS A 88 -7.462 12.015 -9.216 1.00 0.89 H new ATOM 0 HD2 HIS A 88 -6.854 13.868 -7.066 1.00 0.65 H new ATOM 0 HE1 HIS A 88 -7.183 10.910 -4.071 1.00 0.98 H new ATOM 0 HE2 HIS A 88 -6.305 13.216 -4.606 1.00 0.48 H new ATOM 1071 N SER A 89 -8.656 13.510 -10.892 1.00 0.81 N ATOM 1072 CA SER A 89 -8.592 13.769 -12.326 1.00 1.00 C ATOM 1073 C SER A 89 -7.631 12.795 -13.024 1.00 1.00 C ATOM 1074 O SER A 89 -6.846 13.195 -13.889 1.00 1.43 O ATOM 1075 CB SER A 89 -8.176 15.217 -12.548 1.00 1.22 C ATOM 1076 OG SER A 89 -7.330 15.659 -11.501 1.00 1.06 O ATOM 0 H SER A 89 -7.904 13.942 -10.356 1.00 0.81 H new ATOM 0 HA SER A 89 -9.576 13.609 -12.767 1.00 1.00 H new ATOM 0 HB2 SER A 89 -7.660 15.310 -13.504 1.00 1.22 H new ATOM 0 HB3 SER A 89 -9.061 15.851 -12.600 1.00 1.22 H new ATOM 0 HG SER A 89 -7.071 16.591 -11.661 1.00 1.06 H new ATOM 1082 N THR A 90 -7.672 11.528 -12.596 1.00 1.14 N ATOM 1083 CA THR A 90 -6.947 10.426 -13.251 1.00 1.15 C ATOM 1084 C THR A 90 -5.425 10.471 -13.047 1.00 1.15 C ATOM 1085 O THR A 90 -4.830 9.458 -12.688 1.00 1.72 O ATOM 1086 CB THR A 90 -7.282 10.358 -14.757 1.00 1.27 C ATOM 1087 OG1 THR A 90 -8.704 10.295 -14.915 1.00 1.45 O ATOM 1088 CG2 THR A 90 -6.643 9.138 -15.412 1.00 1.49 C ATOM 0 H THR A 90 -8.211 11.234 -11.782 1.00 1.14 H new ATOM 0 HA THR A 90 -7.295 9.518 -12.759 1.00 1.15 H new ATOM 0 HB THR A 90 -6.884 11.249 -15.242 1.00 1.27 H new ATOM 0 HG1 THR A 90 -8.926 10.253 -15.869 1.00 1.45 H new ATOM 0 HG21 THR A 90 -6.898 9.119 -16.472 1.00 1.49 H new ATOM 0 HG22 THR A 90 -5.560 9.190 -15.300 1.00 1.49 H new ATOM 0 HG23 THR A 90 -7.014 8.232 -14.933 1.00 1.49 H new ATOM 1096 N ASP A 91 -4.800 11.624 -13.262 1.00 0.95 N ATOM 1097 CA ASP A 91 -3.340 11.743 -13.139 1.00 0.97 C ATOM 1098 C ASP A 91 -2.863 11.248 -11.771 1.00 0.89 C ATOM 1099 O ASP A 91 -1.812 10.622 -11.647 1.00 0.88 O ATOM 1100 CB ASP A 91 -2.902 13.190 -13.355 1.00 1.12 C ATOM 1101 CG ASP A 91 -1.389 13.328 -13.418 1.00 1.65 C ATOM 1102 OD1 ASP A 91 -0.820 13.192 -14.523 1.00 1.90 O ATOM 1103 OD2 ASP A 91 -0.762 13.560 -12.366 1.00 2.46 O ATOM 0 H ASP A 91 -5.274 12.489 -13.521 1.00 0.95 H new ATOM 0 HA ASP A 91 -2.886 11.118 -13.908 1.00 0.97 H new ATOM 0 HB2 ASP A 91 -3.338 13.566 -14.280 1.00 1.12 H new ATOM 0 HB3 ASP A 91 -3.288 13.810 -12.546 1.00 1.12 H new ATOM 1108 N ALA A 92 -3.686 11.497 -10.752 1.00 0.90 N ATOM 1109 CA ALA A 92 -3.368 11.124 -9.374 1.00 0.90 C ATOM 1110 C ALA A 92 -3.490 9.616 -9.141 1.00 0.82 C ATOM 1111 O ALA A 92 -3.428 9.152 -8.011 1.00 1.07 O ATOM 1112 CB ALA A 92 -4.273 11.876 -8.412 1.00 0.97 C ATOM 0 H ALA A 92 -4.588 11.961 -10.858 1.00 0.90 H new ATOM 0 HA ALA A 92 -2.329 11.398 -9.191 1.00 0.90 H new ATOM 0 HB1 ALA A 92 -4.030 11.593 -7.388 1.00 0.97 H new ATOM 0 HB2 ALA A 92 -4.125 12.949 -8.537 1.00 0.97 H new ATOM 0 HB3 ALA A 92 -5.313 11.626 -8.621 1.00 0.97 H new ATOM 1118 N ARG A 93 -3.691 8.869 -10.217 1.00 0.75 N ATOM 1119 CA ARG A 93 -3.692 7.411 -10.175 1.00 0.73 C ATOM 1120 C ARG A 93 -2.330 6.905 -10.654 1.00 0.69 C ATOM 1121 O ARG A 93 -1.979 5.731 -10.514 1.00 0.81 O ATOM 1122 CB ARG A 93 -4.827 6.879 -11.056 1.00 0.82 C ATOM 1123 CG ARG A 93 -6.205 7.295 -10.561 1.00 1.64 C ATOM 1124 CD ARG A 93 -7.295 6.959 -11.568 1.00 1.70 C ATOM 1125 NE ARG A 93 -8.525 7.709 -11.302 1.00 2.71 N ATOM 1126 CZ ARG A 93 -9.478 7.928 -12.212 1.00 3.02 C ATOM 1127 NH1 ARG A 93 -9.411 7.356 -13.406 1.00 2.38 N ATOM 1128 NH2 ARG A 93 -10.515 8.704 -11.914 1.00 4.15 N ATOM 0 H ARG A 93 -3.858 9.256 -11.146 1.00 0.75 H new ATOM 0 HA ARG A 93 -3.858 7.054 -9.159 1.00 0.73 H new ATOM 0 HB2 ARG A 93 -4.688 7.239 -12.075 1.00 0.82 H new ATOM 0 HB3 ARG A 93 -4.773 5.791 -11.092 1.00 0.82 H new ATOM 0 HG2 ARG A 93 -6.417 6.795 -9.616 1.00 1.64 H new ATOM 0 HG3 ARG A 93 -6.211 8.367 -10.363 1.00 1.64 H new ATOM 0 HD2 ARG A 93 -6.942 7.183 -12.575 1.00 1.70 H new ATOM 0 HD3 ARG A 93 -7.505 5.890 -11.534 1.00 1.70 H new ATOM 0 HE ARG A 93 -8.662 8.087 -10.365 1.00 2.71 H new ATOM 0 HH11 ARG A 93 -8.628 6.744 -13.635 1.00 2.38 H new ATOM 0 HH12 ARG A 93 -10.143 7.528 -14.096 1.00 2.38 H new ATOM 0 HH21 ARG A 93 -10.583 9.132 -10.991 1.00 4.15 H new ATOM 0 HH22 ARG A 93 -11.243 8.871 -12.609 1.00 4.15 H new ATOM 1142 N GLU A 94 -1.579 7.844 -11.218 1.00 0.60 N ATOM 1143 CA GLU A 94 -0.246 7.604 -11.752 1.00 0.60 C ATOM 1144 C GLU A 94 0.783 8.241 -10.837 1.00 0.58 C ATOM 1145 O GLU A 94 1.808 7.650 -10.507 1.00 0.74 O ATOM 1146 CB GLU A 94 -0.142 8.223 -13.145 1.00 0.68 C ATOM 1147 CG GLU A 94 -1.004 7.538 -14.186 1.00 1.19 C ATOM 1148 CD GLU A 94 -0.561 6.117 -14.441 1.00 1.38 C ATOM 1149 OE1 GLU A 94 0.545 5.921 -14.984 1.00 1.62 O ATOM 1150 OE2 GLU A 94 -1.339 5.187 -14.125 1.00 2.11 O ATOM 0 H GLU A 94 -1.887 8.811 -11.318 1.00 0.60 H new ATOM 0 HA GLU A 94 -0.063 6.531 -11.815 1.00 0.60 H new ATOM 0 HB2 GLU A 94 -0.425 9.274 -13.087 1.00 0.68 H new ATOM 0 HB3 GLU A 94 0.898 8.191 -13.470 1.00 0.68 H new ATOM 0 HG2 GLU A 94 -2.043 7.540 -13.855 1.00 1.19 H new ATOM 0 HG3 GLU A 94 -0.965 8.103 -15.118 1.00 1.19 H new ATOM 1157 N MET A 95 0.467 9.482 -10.464 1.00 0.48 N ATOM 1158 CA MET A 95 1.288 10.306 -9.580 1.00 0.49 C ATOM 1159 C MET A 95 1.473 9.628 -8.228 1.00 0.42 C ATOM 1160 O MET A 95 2.467 9.839 -7.538 1.00 0.50 O ATOM 1161 CB MET A 95 0.588 11.663 -9.396 1.00 0.53 C ATOM 1162 CG MET A 95 1.332 12.660 -8.513 1.00 0.65 C ATOM 1163 SD MET A 95 2.902 13.196 -9.225 1.00 1.09 S ATOM 1164 CE MET A 95 3.362 14.524 -8.104 1.00 1.75 C ATOM 0 H MET A 95 -0.384 9.950 -10.775 1.00 0.48 H new ATOM 0 HA MET A 95 2.274 10.445 -10.023 1.00 0.49 H new ATOM 0 HB2 MET A 95 0.437 12.113 -10.377 1.00 0.53 H new ATOM 0 HB3 MET A 95 -0.400 11.490 -8.969 1.00 0.53 H new ATOM 0 HG2 MET A 95 0.699 13.531 -8.345 1.00 0.65 H new ATOM 0 HG3 MET A 95 1.517 12.207 -7.539 1.00 0.65 H new ATOM 0 HE1 MET A 95 4.314 14.952 -8.418 1.00 1.75 H new ATOM 0 HE2 MET A 95 2.593 15.297 -8.120 1.00 1.75 H new ATOM 0 HE3 MET A 95 3.458 14.129 -7.092 1.00 1.75 H new ATOM 1174 N SER A 96 0.487 8.811 -7.859 1.00 0.34 N ATOM 1175 CA SER A 96 0.395 8.278 -6.502 1.00 0.31 C ATOM 1176 C SER A 96 1.140 6.954 -6.346 1.00 0.31 C ATOM 1177 O SER A 96 1.263 6.441 -5.216 1.00 0.33 O ATOM 1178 CB SER A 96 -1.070 8.069 -6.155 1.00 0.36 C ATOM 1179 OG SER A 96 -1.735 7.290 -7.132 1.00 1.13 O ATOM 0 H SER A 96 -0.260 8.504 -8.482 1.00 0.34 H new ATOM 0 HA SER A 96 0.860 8.998 -5.828 1.00 0.31 H new ATOM 0 HB2 SER A 96 -1.147 7.579 -5.185 1.00 0.36 H new ATOM 0 HB3 SER A 96 -1.564 9.037 -6.064 1.00 0.36 H new ATOM 0 HG SER A 96 -2.267 7.875 -7.710 1.00 1.13 H new ATOM 1185 N LYS A 97 1.578 6.408 -7.463 1.00 0.36 N ATOM 1186 CA LYS A 97 2.099 5.045 -7.534 1.00 0.43 C ATOM 1187 C LYS A 97 3.313 4.851 -6.660 1.00 0.41 C ATOM 1188 O LYS A 97 3.536 3.758 -6.149 1.00 0.48 O ATOM 1189 CB LYS A 97 2.443 4.666 -8.974 1.00 0.56 C ATOM 1190 CG LYS A 97 1.229 4.530 -9.874 1.00 0.83 C ATOM 1191 CD LYS A 97 1.568 3.732 -11.119 1.00 1.15 C ATOM 1192 CE LYS A 97 0.440 3.737 -12.134 1.00 1.56 C ATOM 1193 NZ LYS A 97 -0.872 3.353 -11.545 1.00 2.15 N ATOM 0 H LYS A 97 1.585 6.897 -8.358 1.00 0.36 H new ATOM 0 HA LYS A 97 1.308 4.392 -7.165 1.00 0.43 H new ATOM 0 HB2 LYS A 97 3.110 5.421 -9.390 1.00 0.56 H new ATOM 0 HB3 LYS A 97 2.990 3.723 -8.972 1.00 0.56 H new ATOM 0 HG2 LYS A 97 0.421 4.039 -9.331 1.00 0.83 H new ATOM 0 HG3 LYS A 97 0.868 5.519 -10.157 1.00 0.83 H new ATOM 0 HD2 LYS A 97 2.467 4.143 -11.577 1.00 1.15 H new ATOM 0 HD3 LYS A 97 1.795 2.704 -10.838 1.00 1.15 H new ATOM 0 HE2 LYS A 97 0.358 4.731 -12.573 1.00 1.56 H new ATOM 0 HE3 LYS A 97 0.684 3.050 -12.944 1.00 1.56 H new ATOM 0 HZ1 LYS A 97 -1.481 2.950 -12.286 1.00 2.15 H new ATOM 0 HZ2 LYS A 97 -0.723 2.646 -10.797 1.00 2.15 H new ATOM 0 HZ3 LYS A 97 -1.330 4.194 -11.140 1.00 2.15 H new ATOM 1207 N THR A 98 4.102 5.916 -6.513 1.00 0.40 N ATOM 1208 CA THR A 98 5.337 5.872 -5.746 1.00 0.46 C ATOM 1209 C THR A 98 5.051 6.034 -4.257 1.00 0.41 C ATOM 1210 O THR A 98 5.961 6.023 -3.428 1.00 0.48 O ATOM 1211 CB THR A 98 6.293 6.985 -6.216 1.00 0.59 C ATOM 1212 OG1 THR A 98 6.167 7.156 -7.634 1.00 1.01 O ATOM 1213 CG2 THR A 98 7.736 6.646 -5.875 1.00 1.15 C ATOM 0 H THR A 98 3.900 6.828 -6.923 1.00 0.40 H new ATOM 0 HA THR A 98 5.807 4.902 -5.909 1.00 0.46 H new ATOM 0 HB THR A 98 6.024 7.908 -5.702 1.00 0.59 H new ATOM 0 HG1 THR A 98 6.774 7.865 -7.933 1.00 1.01 H new ATOM 0 HG21 THR A 98 8.389 7.448 -6.218 1.00 1.15 H new ATOM 0 HG22 THR A 98 7.838 6.532 -4.796 1.00 1.15 H new ATOM 0 HG23 THR A 98 8.017 5.715 -6.367 1.00 1.15 H new ATOM 1221 N PHE A 99 3.778 6.200 -3.934 1.00 0.32 N ATOM 1222 CA PHE A 99 3.332 6.294 -2.556 1.00 0.32 C ATOM 1223 C PHE A 99 2.765 4.954 -2.113 1.00 0.30 C ATOM 1224 O PHE A 99 2.480 4.746 -0.935 1.00 0.31 O ATOM 1225 CB PHE A 99 2.282 7.399 -2.422 1.00 0.34 C ATOM 1226 CG PHE A 99 2.824 8.769 -2.718 1.00 0.36 C ATOM 1227 CD1 PHE A 99 3.608 9.433 -1.788 1.00 0.88 C ATOM 1228 CD2 PHE A 99 2.553 9.390 -3.927 1.00 0.77 C ATOM 1229 CE1 PHE A 99 4.114 10.690 -2.058 1.00 0.90 C ATOM 1230 CE2 PHE A 99 3.055 10.649 -4.202 1.00 0.81 C ATOM 1231 CZ PHE A 99 3.835 11.299 -3.267 1.00 0.47 C ATOM 0 H PHE A 99 3.027 6.273 -4.620 1.00 0.32 H new ATOM 0 HA PHE A 99 4.177 6.545 -1.915 1.00 0.32 H new ATOM 0 HB2 PHE A 99 1.454 7.189 -3.099 1.00 0.34 H new ATOM 0 HB3 PHE A 99 1.877 7.386 -1.410 1.00 0.34 H new ATOM 0 HD1 PHE A 99 3.826 8.962 -0.841 1.00 0.88 H new ATOM 0 HD2 PHE A 99 1.943 8.885 -4.662 1.00 0.77 H new ATOM 0 HE1 PHE A 99 4.726 11.196 -1.326 1.00 0.90 H new ATOM 0 HE2 PHE A 99 2.837 11.123 -5.148 1.00 0.81 H new ATOM 0 HZ PHE A 99 4.227 12.283 -3.480 1.00 0.47 H new ATOM 1241 N ILE A 100 2.596 4.045 -3.077 1.00 0.32 N ATOM 1242 CA ILE A 100 2.105 2.706 -2.791 1.00 0.32 C ATOM 1243 C ILE A 100 3.207 1.905 -2.107 1.00 0.34 C ATOM 1244 O ILE A 100 4.021 1.259 -2.773 1.00 0.43 O ATOM 1245 CB ILE A 100 1.669 1.948 -4.067 1.00 0.34 C ATOM 1246 CG1 ILE A 100 0.731 2.807 -4.913 1.00 0.32 C ATOM 1247 CG2 ILE A 100 0.993 0.635 -3.694 1.00 0.42 C ATOM 1248 CD1 ILE A 100 0.308 2.154 -6.214 1.00 0.38 C ATOM 0 H ILE A 100 2.794 4.218 -4.062 1.00 0.32 H new ATOM 0 HA ILE A 100 1.231 2.813 -2.148 1.00 0.32 H new ATOM 0 HB ILE A 100 2.558 1.730 -4.658 1.00 0.34 H new ATOM 0 HG12 ILE A 100 -0.159 3.040 -4.328 1.00 0.32 H new ATOM 0 HG13 ILE A 100 1.223 3.754 -5.136 1.00 0.32 H new ATOM 0 HG21 ILE A 100 0.691 0.111 -4.601 1.00 0.42 H new ATOM 0 HG22 ILE A 100 1.690 0.014 -3.131 1.00 0.42 H new ATOM 0 HG23 ILE A 100 0.114 0.839 -3.083 1.00 0.42 H new ATOM 0 HD11 ILE A 100 -0.357 2.825 -6.759 1.00 0.38 H new ATOM 0 HD12 ILE A 100 1.190 1.946 -6.820 1.00 0.38 H new ATOM 0 HD13 ILE A 100 -0.214 1.221 -6.000 1.00 0.38 H new ATOM 1260 N ILE A 101 3.245 1.970 -0.786 1.00 0.32 N ATOM 1261 CA ILE A 101 4.313 1.345 -0.022 1.00 0.35 C ATOM 1262 C ILE A 101 4.100 -0.158 0.126 1.00 0.36 C ATOM 1263 O ILE A 101 5.047 -0.904 0.372 1.00 0.43 O ATOM 1264 CB ILE A 101 4.464 1.987 1.372 1.00 0.36 C ATOM 1265 CG1 ILE A 101 3.131 1.988 2.120 1.00 0.33 C ATOM 1266 CG2 ILE A 101 5.007 3.405 1.244 1.00 0.46 C ATOM 1267 CD1 ILE A 101 3.229 2.521 3.530 1.00 0.38 C ATOM 0 H ILE A 101 2.547 2.451 -0.219 1.00 0.32 H new ATOM 0 HA ILE A 101 5.232 1.510 -0.585 1.00 0.35 H new ATOM 0 HB ILE A 101 5.173 1.392 1.948 1.00 0.36 H new ATOM 0 HG12 ILE A 101 2.412 2.588 1.563 1.00 0.33 H new ATOM 0 HG13 ILE A 101 2.741 0.971 2.151 1.00 0.33 H new ATOM 0 HG21 ILE A 101 5.109 3.847 2.235 1.00 0.46 H new ATOM 0 HG22 ILE A 101 5.982 3.379 0.757 1.00 0.46 H new ATOM 0 HG23 ILE A 101 4.320 4.005 0.648 1.00 0.46 H new ATOM 0 HD11 ILE A 101 2.246 2.492 3.999 1.00 0.38 H new ATOM 0 HD12 ILE A 101 3.923 1.907 4.104 1.00 0.38 H new ATOM 0 HD13 ILE A 101 3.589 3.550 3.506 1.00 0.38 H new ATOM 1279 N GLY A 102 2.858 -0.602 -0.017 1.00 0.33 N ATOM 1280 CA GLY A 102 2.573 -2.015 0.073 1.00 0.39 C ATOM 1281 C GLY A 102 1.102 -2.319 -0.089 1.00 0.35 C ATOM 1282 O GLY A 102 0.308 -1.439 -0.436 1.00 0.35 O ATOM 0 H GLY A 102 2.047 -0.009 -0.193 1.00 0.33 H new ATOM 0 HA2 GLY A 102 3.137 -2.546 -0.694 1.00 0.39 H new ATOM 0 HA3 GLY A 102 2.914 -2.391 1.038 1.00 0.39 H new ATOM 1286 N GLU A 103 0.741 -3.563 0.155 1.00 0.40 N ATOM 1287 CA GLU A 103 -0.641 -3.997 0.068 1.00 0.42 C ATOM 1288 C GLU A 103 -1.203 -4.222 1.467 1.00 0.37 C ATOM 1289 O GLU A 103 -0.545 -3.922 2.467 1.00 0.39 O ATOM 1290 CB GLU A 103 -0.763 -5.295 -0.745 1.00 0.52 C ATOM 1291 CG GLU A 103 -0.326 -5.192 -2.206 1.00 0.74 C ATOM 1292 CD GLU A 103 1.152 -4.879 -2.383 1.00 1.22 C ATOM 1293 OE1 GLU A 103 1.968 -5.412 -1.604 1.00 1.87 O ATOM 1294 OE2 GLU A 103 1.499 -4.095 -3.280 1.00 1.85 O ATOM 0 H GLU A 103 1.395 -4.300 0.419 1.00 0.40 H new ATOM 0 HA GLU A 103 -1.209 -3.216 -0.437 1.00 0.42 H new ATOM 0 HB2 GLU A 103 -0.167 -6.067 -0.258 1.00 0.52 H new ATOM 0 HB3 GLU A 103 -1.801 -5.627 -0.716 1.00 0.52 H new ATOM 0 HG2 GLU A 103 -0.552 -6.131 -2.710 1.00 0.74 H new ATOM 0 HG3 GLU A 103 -0.914 -4.417 -2.698 1.00 0.74 H new ATOM 1301 N LEU A 104 -2.408 -4.755 1.545 1.00 0.40 N ATOM 1302 CA LEU A 104 -3.004 -5.067 2.828 1.00 0.42 C ATOM 1303 C LEU A 104 -2.781 -6.543 3.157 1.00 0.42 C ATOM 1304 O LEU A 104 -2.772 -7.386 2.263 1.00 0.48 O ATOM 1305 CB LEU A 104 -4.493 -4.710 2.816 1.00 0.51 C ATOM 1306 CG LEU A 104 -5.164 -4.625 4.191 1.00 0.82 C ATOM 1307 CD1 LEU A 104 -4.338 -3.768 5.136 1.00 1.71 C ATOM 1308 CD2 LEU A 104 -6.561 -4.044 4.057 1.00 1.33 C ATOM 0 H LEU A 104 -2.990 -4.980 0.738 1.00 0.40 H new ATOM 0 HA LEU A 104 -2.527 -4.473 3.607 1.00 0.42 H new ATOM 0 HB2 LEU A 104 -4.614 -3.751 2.312 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -5.022 -5.453 2.219 1.00 0.51 H new ATOM 0 HG LEU A 104 -5.234 -5.632 4.602 1.00 0.82 H new ATOM 0 HD11 LEU A 104 -4.830 -3.719 6.107 1.00 1.71 H new ATOM 0 HD12 LEU A 104 -3.347 -4.207 5.253 1.00 1.71 H new ATOM 0 HD13 LEU A 104 -4.243 -2.762 4.726 1.00 1.71 H new ATOM 0 HD21 LEU A 104 -7.028 -3.988 5.040 1.00 1.33 H new ATOM 0 HD22 LEU A 104 -6.500 -3.044 3.628 1.00 1.33 H new ATOM 0 HD23 LEU A 104 -7.160 -4.682 3.407 1.00 1.33 H new ATOM 1320 N HIS A 105 -2.565 -6.854 4.429 1.00 0.48 N ATOM 1321 CA HIS A 105 -2.253 -8.221 4.849 1.00 0.53 C ATOM 1322 C HIS A 105 -3.427 -9.174 4.609 1.00 0.60 C ATOM 1323 O HIS A 105 -4.568 -8.732 4.463 1.00 0.64 O ATOM 1324 CB HIS A 105 -1.861 -8.244 6.332 1.00 0.68 C ATOM 1325 CG HIS A 105 -0.410 -8.543 6.587 1.00 1.13 C ATOM 1326 ND1 HIS A 105 0.504 -7.585 6.974 1.00 1.82 N ATOM 1327 CD2 HIS A 105 0.283 -9.707 6.531 1.00 1.68 C ATOM 1328 CE1 HIS A 105 1.689 -8.140 7.133 1.00 2.41 C ATOM 1329 NE2 HIS A 105 1.583 -9.426 6.873 1.00 2.37 N ATOM 0 H HIS A 105 -2.600 -6.178 5.192 1.00 0.48 H new ATOM 0 HA HIS A 105 -1.414 -8.564 4.243 1.00 0.53 H new ATOM 0 HB2 HIS A 105 -2.103 -7.278 6.774 1.00 0.68 H new ATOM 0 HB3 HIS A 105 -2.468 -8.990 6.844 1.00 0.68 H new ATOM 0 HD2 HIS A 105 -0.114 -10.676 6.266 1.00 1.68 H new ATOM 0 HE1 HIS A 105 2.593 -7.627 7.427 1.00 2.41 H new ATOM 0 HE2 HIS A 105 2.344 -10.104 6.918 1.00 2.37 H new ATOM 1338 N PRO A 106 -3.127 -10.496 4.517 1.00 0.74 N ATOM 1339 CA PRO A 106 -4.105 -11.595 4.493 1.00 1.00 C ATOM 1340 C PRO A 106 -5.396 -11.298 5.248 1.00 1.18 C ATOM 1341 O PRO A 106 -6.488 -11.707 4.851 1.00 1.67 O ATOM 1342 CB PRO A 106 -3.331 -12.703 5.204 1.00 1.17 C ATOM 1343 CG PRO A 106 -1.894 -12.466 4.853 1.00 1.02 C ATOM 1344 CD PRO A 106 -1.773 -11.042 4.360 1.00 0.79 C ATOM 0 HA PRO A 106 -4.442 -11.819 3.481 1.00 1.00 H new ATOM 0 HB2 PRO A 106 -3.485 -12.661 6.282 1.00 1.17 H new ATOM 0 HB3 PRO A 106 -3.660 -13.688 4.873 1.00 1.17 H new ATOM 0 HG2 PRO A 106 -1.256 -12.626 5.722 1.00 1.02 H new ATOM 0 HG3 PRO A 106 -1.567 -13.166 4.085 1.00 1.02 H new ATOM 0 HD2 PRO A 106 -1.045 -10.478 4.943 1.00 0.79 H new ATOM 0 HD3 PRO A 106 -1.446 -11.006 3.321 1.00 0.79 H new ATOM 1352 N ASP A 107 -5.196 -10.612 6.388 1.00 1.16 N ATOM 1353 CA ASP A 107 -6.247 -10.147 7.296 1.00 1.47 C ATOM 1354 C ASP A 107 -7.457 -9.656 6.534 1.00 1.22 C ATOM 1355 O ASP A 107 -8.590 -9.811 6.989 1.00 1.47 O ATOM 1356 CB ASP A 107 -5.710 -8.995 8.157 1.00 1.90 C ATOM 1357 CG ASP A 107 -4.551 -9.404 9.046 1.00 2.76 C ATOM 1358 OD1 ASP A 107 -3.403 -9.414 8.552 1.00 3.31 O ATOM 1359 OD2 ASP A 107 -4.786 -9.698 10.235 1.00 3.27 O ATOM 0 H ASP A 107 -4.261 -10.360 6.709 1.00 1.16 H new ATOM 0 HA ASP A 107 -6.544 -10.989 7.922 1.00 1.47 H new ATOM 0 HB2 ASP A 107 -5.391 -8.181 7.506 1.00 1.90 H new ATOM 0 HB3 ASP A 107 -6.517 -8.608 8.779 1.00 1.90 H new ATOM 1364 N ASP A 108 -7.185 -9.034 5.394 1.00 0.95 N ATOM 1365 CA ASP A 108 -8.216 -8.528 4.509 1.00 1.11 C ATOM 1366 C ASP A 108 -8.000 -9.014 3.088 1.00 1.14 C ATOM 1367 O ASP A 108 -8.927 -9.522 2.466 1.00 1.53 O ATOM 1368 CB ASP A 108 -8.220 -7.007 4.509 1.00 1.39 C ATOM 1369 CG ASP A 108 -9.035 -6.451 3.355 1.00 2.65 C ATOM 1370 OD1 ASP A 108 -10.283 -6.457 3.448 1.00 3.12 O ATOM 1371 OD2 ASP A 108 -8.430 -5.983 2.366 1.00 3.44 O ATOM 0 H ASP A 108 -6.236 -8.867 5.059 1.00 0.95 H new ATOM 0 HA ASP A 108 -9.173 -8.900 4.876 1.00 1.11 H new ATOM 0 HB2 ASP A 108 -8.628 -6.644 5.452 1.00 1.39 H new ATOM 0 HB3 ASP A 108 -7.196 -6.640 4.442 1.00 1.39 H new ATOM 1376 N ARG A 109 -6.772 -8.820 2.577 1.00 0.99 N ATOM 1377 CA ARG A 109 -6.430 -9.188 1.199 1.00 1.18 C ATOM 1378 C ARG A 109 -6.908 -10.602 0.931 1.00 1.48 C ATOM 1379 O ARG A 109 -6.258 -11.554 1.355 1.00 1.98 O ATOM 1380 CB ARG A 109 -4.917 -9.072 0.957 1.00 1.11 C ATOM 1381 CG ARG A 109 -4.528 -9.135 -0.518 1.00 1.45 C ATOM 1382 CD ARG A 109 -4.439 -10.568 -1.028 1.00 1.73 C ATOM 1383 NE ARG A 109 -4.623 -10.641 -2.476 1.00 2.25 N ATOM 1384 CZ ARG A 109 -3.771 -11.229 -3.315 1.00 2.64 C ATOM 1385 NH1 ARG A 109 -2.647 -11.775 -2.863 1.00 2.73 N ATOM 1386 NH2 ARG A 109 -4.046 -11.269 -4.612 1.00 3.35 N ATOM 0 H ARG A 109 -6.000 -8.409 3.102 1.00 0.99 H new ATOM 0 HA ARG A 109 -6.925 -8.501 0.513 1.00 1.18 H new ATOM 0 HB2 ARG A 109 -4.561 -8.132 1.378 1.00 1.11 H new ATOM 0 HB3 ARG A 109 -4.409 -9.874 1.493 1.00 1.11 H new ATOM 0 HG2 ARG A 109 -5.261 -8.585 -1.109 1.00 1.45 H new ATOM 0 HG3 ARG A 109 -3.567 -8.640 -0.660 1.00 1.45 H new ATOM 0 HD2 ARG A 109 -3.469 -10.988 -0.763 1.00 1.73 H new ATOM 0 HD3 ARG A 109 -5.196 -11.177 -0.534 1.00 1.73 H new ATOM 0 HE ARG A 109 -5.460 -10.213 -2.871 1.00 2.25 H new ATOM 0 HH11 ARG A 109 -2.431 -11.746 -1.867 1.00 2.73 H new ATOM 0 HH12 ARG A 109 -2.001 -12.223 -3.512 1.00 2.73 H new ATOM 0 HH21 ARG A 109 -4.907 -10.851 -4.964 1.00 3.35 H new ATOM 0 HH22 ARG A 109 -3.396 -11.718 -5.257 1.00 3.35 H new