USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 558 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 4 MET CE :methyl 148:sc= -2.71 (180deg=-3.32!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-7!) USER MOD Single : A 18 THR OG1 : rot 112:sc= -4.03! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -120:sc= -0.739 USER MOD Single : A 28 CYS SG : rot -130:sc= -5.91! USER MOD Single : A 35 CYS SG : rot -135:sc= -6.62! USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0167) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.257 K(o=0.26,f=-7.6!) USER MOD Single : A 50 CYS SG : rot -86:sc= -0.52 USER MOD Single : A 52 SER OG : rot -176:sc= 0.106 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl -147:sc= -6.45! (180deg=-9.77!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= 0.459 K(o=0.46,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.716 -2.151 -11.578 1.00 0.00 N ATOM 77 CA MET A 4 -2.737 -2.812 -10.726 1.00 0.00 C ATOM 78 C MET A 4 -3.269 -2.942 -9.303 1.00 0.00 C ATOM 79 O MET A 4 -4.437 -2.656 -9.041 1.00 0.00 O ATOM 80 CB MET A 4 -1.417 -2.040 -10.729 1.00 0.00 C ATOM 81 CG MET A 4 -0.766 -1.949 -12.099 1.00 0.00 C ATOM 82 SD MET A 4 -0.247 -3.557 -12.729 1.00 0.00 S ATOM 83 CE MET A 4 1.426 -3.644 -12.096 1.00 0.00 C ATOM 0 HA MET A 4 -2.556 -3.811 -11.122 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.595 -1.032 -10.353 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.724 -2.520 -10.038 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.467 -1.497 -12.801 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.099 -1.289 -12.043 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.681 -4.682 -11.882 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.117 -3.246 -12.839 1.00 0.00 H new ATOM 0 HE3 MET A 4 1.500 -3.057 -11.181 1.00 0.00 H new ATOM 93 N PHE A 5 -2.413 -3.382 -8.389 1.00 0.00 N ATOM 94 CA PHE A 5 -2.815 -3.557 -6.999 1.00 0.00 C ATOM 95 C PHE A 5 -1.619 -3.467 -6.063 1.00 0.00 C ATOM 96 O PHE A 5 -0.470 -3.583 -6.489 1.00 0.00 O ATOM 97 CB PHE A 5 -3.502 -4.913 -6.826 1.00 0.00 C ATOM 98 CG PHE A 5 -2.598 -6.080 -7.101 1.00 0.00 C ATOM 99 CD1 PHE A 5 -2.282 -6.981 -6.096 1.00 0.00 C ATOM 100 CD2 PHE A 5 -2.062 -6.274 -8.363 1.00 0.00 C ATOM 101 CE1 PHE A 5 -1.450 -8.054 -6.347 1.00 0.00 C ATOM 102 CE2 PHE A 5 -1.228 -7.345 -8.620 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.922 -8.237 -7.610 1.00 0.00 C ATOM 0 H PHE A 5 -1.441 -3.623 -8.584 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.509 -2.756 -6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.884 -4.991 -5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.362 -4.964 -7.494 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.691 -6.842 -5.106 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.299 -5.580 -9.156 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.212 -8.750 -5.556 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.816 -7.485 -9.608 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.271 -9.076 -7.808 1.00 0.00 H new ATOM 113 N LEU A 6 -1.902 -3.260 -4.782 1.00 0.00 N ATOM 114 CA LEU A 6 -0.847 -3.155 -3.779 1.00 0.00 C ATOM 115 C LEU A 6 -1.078 -4.125 -2.622 1.00 0.00 C ATOM 116 O LEU A 6 -2.210 -4.327 -2.184 1.00 0.00 O ATOM 117 CB LEU A 6 -0.763 -1.725 -3.251 1.00 0.00 C ATOM 118 CG LEU A 6 -2.023 -1.220 -2.559 1.00 0.00 C ATOM 119 CD1 LEU A 6 -2.009 -1.609 -1.090 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.151 0.290 -2.720 1.00 0.00 C ATOM 0 H LEU A 6 -2.848 -3.162 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 6 0.096 -3.419 -4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.069 -1.661 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.532 -1.059 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.890 -1.685 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.915 -1.242 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.965 -2.695 -1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.137 -1.170 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.056 0.634 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.283 0.778 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.205 0.540 -3.780 1.00 0.00 H new ATOM 132 N THR A 7 0.007 -4.718 -2.129 1.00 0.00 N ATOM 133 CA THR A 7 -0.072 -5.663 -1.016 1.00 0.00 C ATOM 134 C THR A 7 0.274 -4.983 0.304 1.00 0.00 C ATOM 135 O THR A 7 1.420 -4.596 0.534 1.00 0.00 O ATOM 136 CB THR A 7 0.862 -6.853 -1.242 1.00 0.00 C ATOM 137 OG1 THR A 7 0.569 -7.496 -2.470 1.00 0.00 O ATOM 138 CG2 THR A 7 0.771 -7.892 -0.144 1.00 0.00 C ATOM 0 H THR A 7 0.951 -4.561 -2.482 1.00 0.00 H new ATOM 0 HA THR A 7 -1.099 -6.025 -0.966 1.00 0.00 H new ATOM 0 HB THR A 7 1.870 -6.437 -1.249 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.178 -8.253 -2.596 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.457 -8.711 -0.361 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.038 -7.438 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.248 -8.276 -0.090 1.00 0.00 H new ATOM 146 N VAL A 8 -0.728 -4.848 1.166 1.00 0.00 N ATOM 147 CA VAL A 8 -0.546 -4.215 2.470 1.00 0.00 C ATOM 148 C VAL A 8 -0.156 -5.248 3.518 1.00 0.00 C ATOM 149 O VAL A 8 -0.379 -6.435 3.331 1.00 0.00 O ATOM 150 CB VAL A 8 -1.825 -3.490 2.936 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.480 -2.371 3.907 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.614 -2.951 1.748 1.00 0.00 C ATOM 0 H VAL A 8 -1.679 -5.170 0.985 1.00 0.00 H new ATOM 0 HA VAL A 8 0.252 -3.481 2.358 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.455 -4.214 3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.395 -1.871 4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.973 -2.788 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.825 -1.652 3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.510 -2.445 2.106 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.997 -2.246 1.191 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.899 -3.777 1.096 1.00 0.00 H new ATOM 162 N TYR A 9 0.442 -4.792 4.612 1.00 0.00 N ATOM 163 CA TYR A 9 0.875 -5.691 5.673 1.00 0.00 C ATOM 164 C TYR A 9 0.070 -5.495 6.938 1.00 0.00 C ATOM 165 O TYR A 9 -0.095 -4.371 7.432 1.00 0.00 O ATOM 166 CB TYR A 9 2.364 -5.517 5.960 1.00 0.00 C ATOM 167 CG TYR A 9 3.239 -6.423 5.120 1.00 0.00 C ATOM 168 CD1 TYR A 9 4.226 -7.208 5.705 1.00 0.00 C ATOM 169 CD2 TYR A 9 3.072 -6.497 3.742 1.00 0.00 C ATOM 170 CE1 TYR A 9 5.021 -8.040 4.938 1.00 0.00 C ATOM 171 CE2 TYR A 9 3.865 -7.326 2.970 1.00 0.00 C ATOM 172 CZ TYR A 9 4.836 -8.095 3.573 1.00 0.00 C ATOM 173 OH TYR A 9 5.627 -8.921 2.808 1.00 0.00 O ATOM 0 H TYR A 9 0.638 -3.806 4.787 1.00 0.00 H new ATOM 0 HA TYR A 9 0.703 -6.709 5.323 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.645 -4.480 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.551 -5.717 7.015 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.374 -7.168 6.774 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.310 -5.897 3.266 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.784 -8.644 5.407 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.724 -7.370 1.900 1.00 0.00 H new ATOM 0 HH TYR A 9 5.367 -8.843 1.866 1.00 0.00 H new ATOM 183 N LEU A 10 -0.421 -6.618 7.452 1.00 0.00 N ATOM 184 CA LEU A 10 -1.215 -6.639 8.662 1.00 0.00 C ATOM 185 C LEU A 10 -0.359 -6.991 9.866 1.00 0.00 C ATOM 186 O LEU A 10 0.581 -7.782 9.773 1.00 0.00 O ATOM 187 CB LEU A 10 -2.348 -7.658 8.538 1.00 0.00 C ATOM 188 CG LEU A 10 -3.707 -7.078 8.162 1.00 0.00 C ATOM 189 CD1 LEU A 10 -4.655 -8.182 7.718 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.295 -6.305 9.332 1.00 0.00 C ATOM 0 H LEU A 10 -0.276 -7.538 7.036 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.634 -5.642 8.802 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.068 -8.399 7.789 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.446 -8.185 9.487 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.571 -6.390 7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -5.620 -7.749 7.454 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.237 -8.693 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.788 -8.896 8.531 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.265 -5.897 9.048 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.418 -6.973 10.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.624 -5.490 9.603 1.00 0.00 H new ATOM 241 N GLU A 14 6.283 -9.815 9.184 1.00 0.00 N ATOM 242 CA GLU A 14 6.667 -9.599 7.793 1.00 0.00 C ATOM 243 C GLU A 14 6.113 -10.700 6.892 1.00 0.00 C ATOM 244 O GLU A 14 6.686 -11.004 5.845 1.00 0.00 O ATOM 245 CB GLU A 14 8.192 -9.539 7.671 1.00 0.00 C ATOM 246 CG GLU A 14 8.708 -8.209 7.148 1.00 0.00 C ATOM 247 CD GLU A 14 10.078 -8.325 6.508 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.248 -7.829 5.375 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.981 -8.912 7.141 1.00 0.00 O ATOM 0 HA GLU A 14 6.243 -8.649 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.634 -9.732 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.527 -10.336 7.007 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.003 -7.812 6.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.754 -7.493 7.969 1.00 0.00 H new ATOM 256 N GLN A 15 4.998 -11.298 7.302 1.00 0.00 N ATOM 257 CA GLN A 15 4.377 -12.367 6.526 1.00 0.00 C ATOM 258 C GLN A 15 2.866 -12.200 6.438 1.00 0.00 C ATOM 259 O GLN A 15 2.219 -12.891 5.651 1.00 0.00 O ATOM 260 CB GLN A 15 4.722 -13.732 7.124 1.00 0.00 C ATOM 261 CG GLN A 15 5.891 -14.418 6.436 1.00 0.00 C ATOM 262 CD GLN A 15 6.770 -15.184 7.406 1.00 0.00 C ATOM 263 OE1 GLN A 15 6.450 -16.306 7.797 1.00 0.00 O ATOM 264 NE2 GLN A 15 7.884 -14.578 7.800 1.00 0.00 N ATOM 0 H GLN A 15 4.507 -11.062 8.164 1.00 0.00 H new ATOM 0 HA GLN A 15 4.777 -12.308 5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.955 -13.608 8.182 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.846 -14.378 7.064 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.511 -15.102 5.678 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.493 -13.671 5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.109 -13.647 7.450 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.514 -15.044 8.453 1.00 0.00 H new ATOM 273 N HIS A 16 2.294 -11.268 7.200 1.00 0.00 N ATOM 274 CA HIS A 16 0.861 -11.056 7.102 1.00 0.00 C ATOM 275 C HIS A 16 0.630 -9.839 6.233 1.00 0.00 C ATOM 276 O HIS A 16 1.096 -8.742 6.538 1.00 0.00 O ATOM 277 CB HIS A 16 0.278 -10.816 8.498 1.00 0.00 C ATOM 278 CG HIS A 16 -1.217 -10.810 8.563 1.00 0.00 C ATOM 279 ND1 HIS A 16 -1.906 -10.390 9.680 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.157 -11.159 7.653 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.202 -10.478 9.459 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.384 -10.943 8.235 1.00 0.00 N ATOM 0 H HIS A 16 2.783 -10.671 7.867 1.00 0.00 H new ATOM 0 HA HIS A 16 0.375 -11.930 6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.653 -11.587 9.170 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.647 -9.861 8.871 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.977 -11.536 6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.982 -10.215 10.158 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.288 -11.114 7.794 1.00 0.00 H new ATOM 291 N PHE A 17 -0.095 -10.042 5.151 1.00 0.00 N ATOM 292 CA PHE A 17 -0.394 -8.967 4.231 1.00 0.00 C ATOM 293 C PHE A 17 -1.778 -9.102 3.643 1.00 0.00 C ATOM 294 O PHE A 17 -2.342 -10.195 3.588 1.00 0.00 O ATOM 295 CB PHE A 17 0.640 -8.898 3.117 1.00 0.00 C ATOM 296 CG PHE A 17 0.915 -10.223 2.498 1.00 0.00 C ATOM 297 CD1 PHE A 17 2.003 -10.977 2.918 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.088 -10.718 1.499 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.269 -12.201 2.354 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.351 -11.950 0.928 1.00 0.00 C ATOM 301 CZ PHE A 17 1.444 -12.693 1.355 1.00 0.00 C ATOM 0 H PHE A 17 -0.488 -10.946 4.888 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.358 -8.040 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.292 -8.209 2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.569 -8.489 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.647 -10.597 3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.762 -10.140 1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.118 -12.778 2.688 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.293 -12.334 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.651 -13.654 0.908 1.00 0.00 H new ATOM 311 N THR A 18 -2.287 -8.001 3.141 1.00 0.00 N ATOM 312 CA THR A 18 -3.567 -8.002 2.480 1.00 0.00 C ATOM 313 C THR A 18 -3.457 -7.175 1.211 1.00 0.00 C ATOM 314 O THR A 18 -3.213 -5.969 1.261 1.00 0.00 O ATOM 315 CB THR A 18 -4.666 -7.459 3.395 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.938 -7.591 2.787 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.475 -6.001 3.756 1.00 0.00 C ATOM 0 H THR A 18 -1.830 -7.090 3.179 1.00 0.00 H new ATOM 0 HA THR A 18 -3.843 -9.026 2.228 1.00 0.00 H new ATOM 0 HB THR A 18 -4.604 -8.054 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.468 -8.254 3.277 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.288 -5.678 4.406 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.524 -5.876 4.274 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.475 -5.398 2.848 1.00 0.00 H new ATOM 325 N GLU A 19 -3.603 -7.835 0.073 1.00 0.00 N ATOM 326 CA GLU A 19 -3.482 -7.162 -1.208 1.00 0.00 C ATOM 327 C GLU A 19 -4.837 -6.702 -1.714 1.00 0.00 C ATOM 328 O GLU A 19 -5.871 -7.276 -1.371 1.00 0.00 O ATOM 329 CB GLU A 19 -2.808 -8.078 -2.228 1.00 0.00 C ATOM 330 CG GLU A 19 -3.273 -9.525 -2.164 1.00 0.00 C ATOM 331 CD GLU A 19 -2.337 -10.408 -1.361 1.00 0.00 C ATOM 332 OE1 GLU A 19 -1.227 -9.946 -1.022 1.00 0.00 O ATOM 333 OE2 GLU A 19 -2.714 -11.562 -1.070 1.00 0.00 O ATOM 0 H GLU A 19 -3.805 -8.833 0.011 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.860 -6.278 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.997 -7.691 -3.229 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.730 -8.047 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.269 -9.563 -1.722 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.358 -9.920 -3.176 1.00 0.00 H new ATOM 340 N VAL A 20 -4.823 -5.638 -2.507 1.00 0.00 N ATOM 341 CA VAL A 20 -6.058 -5.071 -3.031 1.00 0.00 C ATOM 342 C VAL A 20 -5.873 -4.409 -4.395 1.00 0.00 C ATOM 343 O VAL A 20 -4.950 -3.612 -4.590 1.00 0.00 O ATOM 344 CB VAL A 20 -6.618 -4.012 -2.065 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.246 -4.671 -0.847 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.522 -3.034 -1.655 1.00 0.00 C ATOM 0 H VAL A 20 -3.975 -5.153 -2.800 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.749 -5.907 -3.139 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.398 -3.452 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.635 -3.903 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.060 -5.322 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.493 -5.261 -0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.934 -2.291 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.717 -3.576 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.130 -2.534 -2.541 1.00 0.00 H new ATOM 356 N PRO A 21 -6.782 -4.701 -5.346 1.00 0.00 N ATOM 357 CA PRO A 21 -6.759 -4.114 -6.678 1.00 0.00 C ATOM 358 C PRO A 21 -7.537 -2.806 -6.700 1.00 0.00 C ATOM 359 O PRO A 21 -8.591 -2.698 -6.074 1.00 0.00 O ATOM 360 CB PRO A 21 -7.458 -5.176 -7.518 1.00 0.00 C ATOM 361 CG PRO A 21 -8.466 -5.779 -6.594 1.00 0.00 C ATOM 362 CD PRO A 21 -7.935 -5.610 -5.187 1.00 0.00 C ATOM 0 HA PRO A 21 -5.758 -3.869 -7.033 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.935 -4.738 -8.395 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.753 -5.924 -7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.432 -5.286 -6.703 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.618 -6.833 -6.825 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.689 -5.186 -4.524 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.634 -6.565 -4.757 1.00 0.00 H new ATOM 370 N VAL A 22 -7.015 -1.804 -7.395 1.00 0.00 N ATOM 371 CA VAL A 22 -7.682 -0.510 -7.442 1.00 0.00 C ATOM 372 C VAL A 22 -7.351 0.280 -8.696 1.00 0.00 C ATOM 373 O VAL A 22 -6.357 0.028 -9.375 1.00 0.00 O ATOM 374 CB VAL A 22 -7.276 0.372 -6.244 1.00 0.00 C ATOM 375 CG1 VAL A 22 -8.087 0.038 -5.001 1.00 0.00 C ATOM 376 CG2 VAL A 22 -5.780 0.249 -5.980 1.00 0.00 C ATOM 0 H VAL A 22 -6.146 -1.860 -7.926 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.747 -0.741 -7.423 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.496 1.409 -6.498 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.773 0.680 -4.178 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.146 0.200 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.924 -1.005 -4.730 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.507 0.877 -5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.534 -0.789 -5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.227 0.571 -6.862 1.00 0.00 H new ATOM 386 N THR A 23 -8.173 1.289 -8.935 1.00 0.00 N ATOM 387 CA THR A 23 -7.981 2.210 -10.037 1.00 0.00 C ATOM 388 C THR A 23 -7.526 3.527 -9.428 1.00 0.00 C ATOM 389 O THR A 23 -7.679 3.717 -8.221 1.00 0.00 O ATOM 390 CB THR A 23 -9.281 2.398 -10.826 1.00 0.00 C ATOM 391 OG1 THR A 23 -10.194 3.202 -10.100 1.00 0.00 O ATOM 392 CG2 THR A 23 -9.977 1.095 -11.153 1.00 0.00 C ATOM 0 H THR A 23 -8.995 1.491 -8.366 1.00 0.00 H new ATOM 0 HA THR A 23 -7.240 1.826 -10.739 1.00 0.00 H new ATOM 0 HB THR A 23 -8.986 2.877 -11.760 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.017 3.313 -10.620 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.890 1.300 -11.712 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.316 0.470 -11.754 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.227 0.574 -10.229 1.00 0.00 H new ATOM 400 N PRO A 24 -6.953 4.453 -10.202 1.00 0.00 N ATOM 401 CA PRO A 24 -6.494 5.722 -9.641 1.00 0.00 C ATOM 402 C PRO A 24 -7.656 6.602 -9.191 1.00 0.00 C ATOM 403 O PRO A 24 -7.861 7.704 -9.700 1.00 0.00 O ATOM 404 CB PRO A 24 -5.708 6.361 -10.777 1.00 0.00 C ATOM 405 CG PRO A 24 -6.251 5.742 -12.022 1.00 0.00 C ATOM 406 CD PRO A 24 -6.693 4.350 -11.648 1.00 0.00 C ATOM 0 HA PRO A 24 -5.892 5.584 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.837 7.443 -10.786 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.640 6.169 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.087 6.323 -12.412 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.492 5.711 -12.804 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.586 4.051 -12.197 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.922 3.611 -11.866 1.00 0.00 H new ATOM 414 N GLU A 25 -8.399 6.091 -8.215 1.00 0.00 N ATOM 415 CA GLU A 25 -9.540 6.785 -7.641 1.00 0.00 C ATOM 416 C GLU A 25 -9.564 6.536 -6.138 1.00 0.00 C ATOM 417 O GLU A 25 -9.671 7.470 -5.343 1.00 0.00 O ATOM 418 CB GLU A 25 -10.843 6.302 -8.282 1.00 0.00 C ATOM 419 CG GLU A 25 -11.799 7.428 -8.640 1.00 0.00 C ATOM 420 CD GLU A 25 -13.239 6.962 -8.738 1.00 0.00 C ATOM 421 OE1 GLU A 25 -14.023 7.258 -7.813 1.00 0.00 O ATOM 422 OE2 GLU A 25 -13.582 6.301 -9.742 1.00 0.00 O ATOM 0 H GLU A 25 -8.223 5.177 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.448 7.854 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.607 5.737 -9.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.343 5.616 -7.598 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.726 8.214 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.498 7.867 -9.591 1.00 0.00 H new ATOM 429 N THR A 26 -9.424 5.265 -5.757 1.00 0.00 N ATOM 430 CA THR A 26 -9.389 4.892 -4.352 1.00 0.00 C ATOM 431 C THR A 26 -7.974 5.031 -3.822 1.00 0.00 C ATOM 432 O THR A 26 -7.007 4.777 -4.540 1.00 0.00 O ATOM 433 CB THR A 26 -9.870 3.466 -4.138 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.349 2.604 -5.134 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.377 3.329 -4.152 1.00 0.00 C ATOM 0 H THR A 26 -9.334 4.482 -6.404 1.00 0.00 H new ATOM 0 HA THR A 26 -10.060 5.561 -3.812 1.00 0.00 H new ATOM 0 HB THR A 26 -9.508 3.189 -3.148 1.00 0.00 H new ATOM 0 HG1 THR A 26 -10.088 2.193 -5.630 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.649 2.285 -3.994 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.805 3.940 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.764 3.662 -5.115 1.00 0.00 H new ATOM 443 N ILE A 27 -7.850 5.427 -2.567 1.00 0.00 N ATOM 444 CA ILE A 27 -6.525 5.584 -1.969 1.00 0.00 C ATOM 445 C ILE A 27 -6.460 5.072 -0.532 1.00 0.00 C ATOM 446 O ILE A 27 -7.245 5.480 0.324 1.00 0.00 O ATOM 447 CB ILE A 27 -6.134 7.076 -1.962 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.007 7.863 -0.970 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.251 7.668 -3.360 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.489 7.550 -1.042 1.00 0.00 C ATOM 0 H ILE A 27 -8.631 5.643 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.837 4.993 -2.574 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.095 7.153 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.656 7.661 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.866 8.929 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -5.971 8.721 -3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.587 7.133 -4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.279 7.575 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.024 8.151 -0.307 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.861 7.781 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.648 6.493 -0.831 1.00 0.00 H new ATOM 462 N CYS A 28 -5.479 4.215 -0.272 1.00 0.00 N ATOM 463 CA CYS A 28 -5.229 3.656 1.059 1.00 0.00 C ATOM 464 C CYS A 28 -6.524 3.353 1.812 1.00 0.00 C ATOM 465 O CYS A 28 -6.531 3.246 3.040 1.00 0.00 O ATOM 466 CB CYS A 28 -4.334 4.572 1.879 1.00 0.00 C ATOM 467 SG CYS A 28 -3.366 3.709 3.139 1.00 0.00 S ATOM 0 H CYS A 28 -4.827 3.883 -0.983 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.711 2.709 0.910 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.654 5.096 1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.951 5.329 2.363 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.504 4.313 4.282 1.00 0.00 H new ATOM 473 N ARG A 29 -7.603 3.169 1.071 1.00 0.00 N ATOM 474 CA ARG A 29 -8.889 2.842 1.659 1.00 0.00 C ATOM 475 C ARG A 29 -8.931 1.350 1.838 1.00 0.00 C ATOM 476 O ARG A 29 -9.268 0.834 2.901 1.00 0.00 O ATOM 477 CB ARG A 29 -10.036 3.310 0.762 1.00 0.00 C ATOM 478 CG ARG A 29 -11.295 3.683 1.529 1.00 0.00 C ATOM 479 CD ARG A 29 -11.150 5.029 2.221 1.00 0.00 C ATOM 480 NE ARG A 29 -11.461 4.947 3.646 1.00 0.00 N ATOM 481 CZ ARG A 29 -11.086 5.858 4.541 1.00 0.00 C ATOM 482 NH1 ARG A 29 -10.386 6.922 4.163 1.00 0.00 N ATOM 483 NH2 ARG A 29 -11.411 5.707 5.817 1.00 0.00 N ATOM 0 H ARG A 29 -7.613 3.241 0.054 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.008 3.348 2.617 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.705 4.172 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.275 2.520 0.050 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.143 3.714 0.845 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.512 2.914 2.270 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.131 5.395 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.811 5.754 1.747 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.997 4.144 3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.133 7.044 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.101 7.617 4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.949 4.892 6.113 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.123 6.405 6.503 1.00 0.00 H new ATOM 497 N ASP A 30 -8.521 0.668 0.785 1.00 0.00 N ATOM 498 CA ASP A 30 -8.438 -0.778 0.806 1.00 0.00 C ATOM 499 C ASP A 30 -7.248 -1.183 1.667 1.00 0.00 C ATOM 500 O ASP A 30 -7.257 -2.227 2.316 1.00 0.00 O ATOM 501 CB ASP A 30 -8.282 -1.332 -0.612 1.00 0.00 C ATOM 502 CG ASP A 30 -9.614 -1.680 -1.246 1.00 0.00 C ATOM 503 OD1 ASP A 30 -10.599 -0.954 -0.995 1.00 0.00 O ATOM 504 OD2 ASP A 30 -9.672 -2.678 -1.995 1.00 0.00 O ATOM 0 H ASP A 30 -8.240 1.095 -0.098 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.356 -1.190 1.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.769 -0.597 -1.232 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.652 -2.221 -0.585 1.00 0.00 H new ATOM 509 N VAL A 31 -6.223 -0.330 1.677 1.00 0.00 N ATOM 510 CA VAL A 31 -5.026 -0.582 2.464 1.00 0.00 C ATOM 511 C VAL A 31 -5.357 -0.574 3.952 1.00 0.00 C ATOM 512 O VAL A 31 -5.053 -1.529 4.668 1.00 0.00 O ATOM 513 CB VAL A 31 -3.952 0.491 2.162 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.717 0.331 3.043 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.571 0.448 0.692 1.00 0.00 C ATOM 0 H VAL A 31 -6.202 0.541 1.147 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.636 -1.563 2.194 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.384 1.465 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.991 1.105 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.003 0.423 4.091 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.273 -0.650 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.815 1.207 0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.172 -0.536 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.453 0.643 0.082 1.00 0.00 H new ATOM 525 N VAL A 32 -5.999 0.496 4.412 1.00 0.00 N ATOM 526 CA VAL A 32 -6.377 0.597 5.817 1.00 0.00 C ATOM 527 C VAL A 32 -7.550 -0.321 6.148 1.00 0.00 C ATOM 528 O VAL A 32 -7.500 -1.074 7.121 1.00 0.00 O ATOM 529 CB VAL A 32 -6.718 2.044 6.212 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.122 2.108 7.677 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.530 2.957 5.939 1.00 0.00 C ATOM 0 H VAL A 32 -6.266 1.297 3.839 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.511 0.277 6.397 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.559 2.386 5.609 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.361 3.137 7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.997 1.478 7.841 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.299 1.754 8.297 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.783 3.978 6.223 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.672 2.621 6.521 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.283 2.926 4.878 1.00 0.00 H new ATOM 541 N ASP A 33 -8.608 -0.251 5.343 1.00 0.00 N ATOM 542 CA ASP A 33 -9.793 -1.076 5.568 1.00 0.00 C ATOM 543 C ASP A 33 -9.418 -2.538 5.785 1.00 0.00 C ATOM 544 O ASP A 33 -9.910 -3.181 6.713 1.00 0.00 O ATOM 545 CB ASP A 33 -10.758 -0.961 4.385 1.00 0.00 C ATOM 546 CG ASP A 33 -11.500 0.361 4.369 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.818 0.877 5.461 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.764 0.880 3.265 1.00 0.00 O ATOM 0 H ASP A 33 -8.669 0.365 4.533 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.283 -0.709 6.470 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.202 -1.073 3.454 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.478 -1.778 4.427 1.00 0.00 H new ATOM 553 N LEU A 34 -8.552 -3.063 4.925 1.00 0.00 N ATOM 554 CA LEU A 34 -8.127 -4.450 5.031 1.00 0.00 C ATOM 555 C LEU A 34 -7.110 -4.642 6.154 1.00 0.00 C ATOM 556 O LEU A 34 -7.101 -5.683 6.810 1.00 0.00 O ATOM 557 CB LEU A 34 -7.557 -4.933 3.698 1.00 0.00 C ATOM 558 CG LEU A 34 -8.615 -5.299 2.655 1.00 0.00 C ATOM 559 CD1 LEU A 34 -9.154 -4.054 1.971 1.00 0.00 C ATOM 560 CD2 LEU A 34 -8.046 -6.268 1.631 1.00 0.00 C ATOM 0 H LEU A 34 -8.133 -2.549 4.150 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.003 -5.050 5.277 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.914 -4.154 3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.927 -5.804 3.880 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.442 -5.789 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -9.904 -4.340 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.607 -3.398 2.714 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.338 -3.530 1.473 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.814 -6.516 0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.198 -5.807 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.718 -7.178 2.134 1.00 0.00 H new ATOM 572 N CYS A 35 -6.255 -3.643 6.384 1.00 0.00 N ATOM 573 CA CYS A 35 -5.257 -3.749 7.446 1.00 0.00 C ATOM 574 C CYS A 35 -5.748 -3.120 8.742 1.00 0.00 C ATOM 575 O CYS A 35 -4.962 -2.638 9.556 1.00 0.00 O ATOM 576 CB CYS A 35 -3.929 -3.118 7.024 1.00 0.00 C ATOM 577 SG CYS A 35 -2.862 -4.215 6.064 1.00 0.00 S ATOM 0 H CYS A 35 -6.234 -2.768 5.860 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.094 -4.812 7.625 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.135 -2.223 6.436 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.392 -2.796 7.916 1.00 0.00 H new ATOM 0 HG CYS A 35 -1.645 -4.140 6.515 1.00 0.00 H new ATOM 583 N LYS A 36 -7.055 -3.150 8.926 1.00 0.00 N ATOM 584 CA LYS A 36 -7.683 -2.607 10.125 1.00 0.00 C ATOM 585 C LYS A 36 -8.588 -3.647 10.776 1.00 0.00 C ATOM 586 O LYS A 36 -9.125 -4.526 10.102 1.00 0.00 O ATOM 587 CB LYS A 36 -8.491 -1.354 9.788 1.00 0.00 C ATOM 588 CG LYS A 36 -7.679 -0.072 9.857 1.00 0.00 C ATOM 589 CD LYS A 36 -7.326 0.288 11.290 1.00 0.00 C ATOM 590 CE LYS A 36 -5.943 -0.218 11.668 1.00 0.00 C ATOM 591 NZ LYS A 36 -5.957 -0.978 12.949 1.00 0.00 N ATOM 0 H LYS A 36 -7.712 -3.548 8.255 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.894 -2.339 10.828 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.906 -1.458 8.786 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.333 -1.279 10.476 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.765 -0.187 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.245 0.743 9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.365 1.370 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.067 -0.138 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.561 -0.857 10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.259 0.627 11.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.017 -1.391 13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.199 -0.336 13.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.664 -1.739 12.894 1.00 0.00 H new ATOM 679 N CYS A 43 -4.082 6.616 11.490 1.00 0.00 N ATOM 680 CA CYS A 43 -3.069 5.677 11.023 1.00 0.00 C ATOM 681 C CYS A 43 -2.621 6.017 9.605 1.00 0.00 C ATOM 682 O CYS A 43 -3.322 6.714 8.872 1.00 0.00 O ATOM 683 CB CYS A 43 -3.611 4.247 11.070 1.00 0.00 C ATOM 684 SG CYS A 43 -4.137 3.712 12.715 1.00 0.00 S ATOM 0 HA CYS A 43 -2.206 5.754 11.684 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.456 4.167 10.386 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.841 3.566 10.707 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.582 2.492 12.653 1.00 0.00 H new ATOM 690 N HIS A 44 -1.448 5.519 9.227 1.00 0.00 N ATOM 691 CA HIS A 44 -0.902 5.769 7.897 1.00 0.00 C ATOM 692 C HIS A 44 -0.299 4.494 7.311 1.00 0.00 C ATOM 693 O HIS A 44 0.056 3.567 8.044 1.00 0.00 O ATOM 694 CB HIS A 44 0.143 6.894 7.947 1.00 0.00 C ATOM 695 CG HIS A 44 1.561 6.420 8.068 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.280 5.912 7.004 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.394 6.380 9.135 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.492 5.580 7.413 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.587 5.855 8.701 1.00 0.00 N ATOM 0 H HIS A 44 -0.857 4.940 9.823 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.716 6.087 7.246 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.051 7.499 7.045 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.083 7.545 8.792 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.930 5.809 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.163 6.701 10.140 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.272 5.156 6.798 1.00 0.00 H new ATOM 708 N LEU A 45 -0.177 4.457 5.988 1.00 0.00 N ATOM 709 CA LEU A 45 0.389 3.304 5.309 1.00 0.00 C ATOM 710 C LEU A 45 1.856 3.576 4.988 1.00 0.00 C ATOM 711 O LEU A 45 2.237 4.721 4.778 1.00 0.00 O ATOM 712 CB LEU A 45 -0.414 2.998 4.040 1.00 0.00 C ATOM 713 CG LEU A 45 0.344 2.280 2.919 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.632 0.838 3.302 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.452 2.335 1.626 1.00 0.00 C ATOM 0 H LEU A 45 -0.464 5.214 5.367 1.00 0.00 H new ATOM 0 HA LEU A 45 0.335 2.429 5.956 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.274 2.389 4.317 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.802 3.937 3.645 1.00 0.00 H new ATOM 0 HG LEU A 45 1.295 2.790 2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.171 0.347 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.239 0.816 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.307 0.315 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.098 1.821 0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.417 1.849 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.610 3.375 1.340 1.00 0.00 H new ATOM 727 N ALA A 46 2.682 2.536 4.980 1.00 0.00 N ATOM 728 CA ALA A 46 4.110 2.699 4.706 1.00 0.00 C ATOM 729 C ALA A 46 4.521 2.013 3.404 1.00 0.00 C ATOM 730 O ALA A 46 3.896 1.035 2.982 1.00 0.00 O ATOM 731 CB ALA A 46 4.930 2.157 5.867 1.00 0.00 C ATOM 0 H ALA A 46 2.392 1.575 5.159 1.00 0.00 H new ATOM 0 HA ALA A 46 4.305 3.765 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.991 2.283 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.676 2.701 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.711 1.098 6.004 1.00 0.00 H new ATOM 737 N GLU A 47 5.590 2.523 2.781 1.00 0.00 N ATOM 738 CA GLU A 47 6.103 1.944 1.540 1.00 0.00 C ATOM 739 C GLU A 47 7.596 1.643 1.667 1.00 0.00 C ATOM 740 O GLU A 47 8.416 2.555 1.731 1.00 0.00 O ATOM 741 CB GLU A 47 5.882 2.903 0.373 1.00 0.00 C ATOM 742 CG GLU A 47 6.302 4.333 0.660 1.00 0.00 C ATOM 743 CD GLU A 47 5.680 5.325 -0.301 1.00 0.00 C ATOM 744 OE1 GLU A 47 5.547 6.510 0.073 1.00 0.00 O ATOM 745 OE2 GLU A 47 5.323 4.918 -1.426 1.00 0.00 O ATOM 0 H GLU A 47 6.113 3.332 3.116 1.00 0.00 H new ATOM 0 HA GLU A 47 5.563 1.016 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.436 2.539 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.826 2.893 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.019 4.594 1.680 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.388 4.408 0.602 1.00 0.00 H new ATOM 752 N VAL A 48 7.942 0.359 1.681 1.00 0.00 N ATOM 753 CA VAL A 48 9.341 -0.058 1.776 1.00 0.00 C ATOM 754 C VAL A 48 9.728 -0.966 0.621 1.00 0.00 C ATOM 755 O VAL A 48 9.054 -1.967 0.367 1.00 0.00 O ATOM 756 CB VAL A 48 9.664 -0.771 3.105 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.172 -0.870 3.301 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.009 -0.051 4.278 1.00 0.00 C ATOM 0 H VAL A 48 7.275 -0.411 1.628 1.00 0.00 H new ATOM 0 HA VAL A 48 9.925 0.861 1.733 1.00 0.00 H new ATOM 0 HB VAL A 48 9.257 -1.781 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.384 -1.375 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.609 -1.436 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.603 0.131 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.250 -0.571 5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.380 0.973 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.928 -0.039 4.140 1.00 0.00 H new ATOM 768 N TRP A 49 10.808 -0.638 -0.073 1.00 0.00 N ATOM 769 CA TRP A 49 11.248 -1.471 -1.180 1.00 0.00 C ATOM 770 C TRP A 49 12.774 -1.499 -1.309 1.00 0.00 C ATOM 771 O TRP A 49 13.407 -0.468 -1.521 1.00 0.00 O ATOM 772 CB TRP A 49 10.565 -1.020 -2.472 1.00 0.00 C ATOM 773 CG TRP A 49 11.472 -0.494 -3.524 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.245 -1.201 -4.389 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.671 0.869 -3.819 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.916 -0.343 -5.223 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.584 0.948 -4.881 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.153 2.026 -3.269 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.993 2.168 -5.412 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.553 3.243 -3.788 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.468 3.306 -4.852 1.00 0.00 C ATOM 0 H TRP A 49 11.386 0.183 0.106 1.00 0.00 H new ATOM 0 HA TRP A 49 10.949 -2.499 -0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 49 10.011 -1.864 -2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.835 -0.248 -2.227 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.320 -2.278 -4.416 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.554 -0.616 -5.971 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.450 1.980 -2.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.695 2.217 -6.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.157 4.157 -3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.765 4.270 -5.238 1.00 0.00 H new ATOM 792 N CYS A 50 13.348 -2.693 -1.183 1.00 0.00 N ATOM 793 CA CYS A 50 14.797 -2.879 -1.286 1.00 0.00 C ATOM 794 C CYS A 50 15.569 -1.796 -0.531 1.00 0.00 C ATOM 795 O CYS A 50 16.550 -1.250 -1.036 1.00 0.00 O ATOM 796 CB CYS A 50 15.229 -2.918 -2.759 1.00 0.00 C ATOM 797 SG CYS A 50 15.269 -1.305 -3.583 1.00 0.00 S ATOM 0 H CYS A 50 12.829 -3.553 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 50 15.037 -3.835 -0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 50 16.221 -3.366 -2.820 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.549 -3.572 -3.305 1.00 0.00 H new ATOM 0 HG CYS A 50 14.086 -1.023 -4.042 1.00 0.00 H new ATOM 803 N GLY A 51 15.127 -1.497 0.684 1.00 0.00 N ATOM 804 CA GLY A 51 15.794 -0.489 1.486 1.00 0.00 C ATOM 805 C GLY A 51 15.173 0.890 1.348 1.00 0.00 C ATOM 806 O GLY A 51 15.478 1.791 2.130 1.00 0.00 O ATOM 0 H GLY A 51 14.319 -1.934 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.767 -0.790 2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.844 -0.439 1.196 1.00 0.00 H new ATOM 810 N SER A 52 14.294 1.060 0.364 1.00 0.00 N ATOM 811 CA SER A 52 13.634 2.344 0.155 1.00 0.00 C ATOM 812 C SER A 52 12.340 2.399 0.951 1.00 0.00 C ATOM 813 O SER A 52 11.302 1.921 0.497 1.00 0.00 O ATOM 814 CB SER A 52 13.339 2.572 -1.331 1.00 0.00 C ATOM 815 OG SER A 52 14.334 3.385 -1.930 1.00 0.00 O ATOM 0 H SER A 52 14.024 0.331 -0.296 1.00 0.00 H new ATOM 0 HA SER A 52 14.304 3.132 0.498 1.00 0.00 H new ATOM 0 HB2 SER A 52 13.290 1.613 -1.846 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.363 3.044 -1.443 1.00 0.00 H new ATOM 0 HG SER A 52 14.087 3.573 -2.860 1.00 0.00 H new ATOM 821 N GLU A 53 12.409 2.982 2.142 1.00 0.00 N ATOM 822 CA GLU A 53 11.241 3.091 3.001 1.00 0.00 C ATOM 823 C GLU A 53 10.750 4.535 3.069 1.00 0.00 C ATOM 824 O GLU A 53 11.540 5.462 3.250 1.00 0.00 O ATOM 825 CB GLU A 53 11.569 2.587 4.408 1.00 0.00 C ATOM 826 CG GLU A 53 12.812 3.225 5.006 1.00 0.00 C ATOM 827 CD GLU A 53 13.008 2.863 6.466 1.00 0.00 C ATOM 828 OE1 GLU A 53 13.747 3.590 7.162 1.00 0.00 O ATOM 829 OE2 GLU A 53 12.422 1.855 6.911 1.00 0.00 O ATOM 0 H GLU A 53 13.261 3.385 2.532 1.00 0.00 H new ATOM 0 HA GLU A 53 10.449 2.475 2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.719 2.782 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.705 1.506 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.687 2.911 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.742 4.309 4.910 1.00 0.00 H new ATOM 836 N ARG A 54 9.444 4.715 2.921 1.00 0.00 N ATOM 837 CA ARG A 54 8.843 6.042 2.963 1.00 0.00 C ATOM 838 C ARG A 54 7.442 5.981 3.565 1.00 0.00 C ATOM 839 O ARG A 54 6.774 4.951 3.498 1.00 0.00 O ATOM 840 CB ARG A 54 8.785 6.645 1.557 1.00 0.00 C ATOM 841 CG ARG A 54 10.005 7.481 1.205 1.00 0.00 C ATOM 842 CD ARG A 54 10.997 6.692 0.365 1.00 0.00 C ATOM 843 NE ARG A 54 12.297 7.353 0.289 1.00 0.00 N ATOM 844 CZ ARG A 54 12.564 8.372 -0.525 1.00 0.00 C ATOM 845 NH1 ARG A 54 11.625 8.852 -1.330 1.00 0.00 N ATOM 846 NH2 ARG A 54 13.774 8.915 -0.531 1.00 0.00 N ATOM 0 H ARG A 54 8.779 3.957 2.770 1.00 0.00 H new ATOM 0 HA ARG A 54 9.464 6.678 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.684 5.840 0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.893 7.265 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.692 8.372 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.491 7.821 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.121 5.696 0.791 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.597 6.561 -0.641 1.00 0.00 H new ATOM 0 HE ARG A 54 13.044 7.014 0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.692 8.440 -1.328 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.836 9.633 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.499 8.552 0.088 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.980 9.696 -1.154 1.00 0.00 H new ATOM 860 N PRO A 55 6.977 7.085 4.170 1.00 0.00 N ATOM 861 CA PRO A 55 5.653 7.147 4.782 1.00 0.00 C ATOM 862 C PRO A 55 4.565 7.492 3.769 1.00 0.00 C ATOM 863 O PRO A 55 4.538 8.598 3.228 1.00 0.00 O ATOM 864 CB PRO A 55 5.813 8.273 5.799 1.00 0.00 C ATOM 865 CG PRO A 55 6.792 9.207 5.167 1.00 0.00 C ATOM 866 CD PRO A 55 7.704 8.361 4.310 1.00 0.00 C ATOM 0 HA PRO A 55 5.344 6.194 5.212 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.862 8.768 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.181 7.897 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.279 9.956 4.564 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.361 9.744 5.926 1.00 0.00 H new ATOM 0 HD2 PRO A 55 7.886 8.826 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.676 8.217 4.782 1.00 0.00 H new ATOM 874 N VAL A 56 3.662 6.546 3.519 1.00 0.00 N ATOM 875 CA VAL A 56 2.572 6.771 2.573 1.00 0.00 C ATOM 876 C VAL A 56 1.299 7.223 3.294 1.00 0.00 C ATOM 877 O VAL A 56 0.846 6.596 4.262 1.00 0.00 O ATOM 878 CB VAL A 56 2.260 5.526 1.681 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.127 4.319 2.042 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.776 5.163 1.741 1.00 0.00 C ATOM 0 H VAL A 56 3.663 5.624 3.954 1.00 0.00 H new ATOM 0 HA VAL A 56 2.917 7.564 1.910 1.00 0.00 H new ATOM 0 HB VAL A 56 2.507 5.805 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.872 3.481 1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.178 4.573 1.909 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.950 4.041 3.081 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.588 4.293 1.111 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.499 4.932 2.770 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.181 6.004 1.385 1.00 0.00 H new ATOM 890 N ALA A 57 0.723 8.310 2.796 1.00 0.00 N ATOM 891 CA ALA A 57 -0.498 8.863 3.361 1.00 0.00 C ATOM 892 C ALA A 57 -1.708 8.066 2.901 1.00 0.00 C ATOM 893 O ALA A 57 -1.733 7.544 1.784 1.00 0.00 O ATOM 894 CB ALA A 57 -0.642 10.317 2.955 1.00 0.00 C ATOM 0 H ALA A 57 1.086 8.828 1.996 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.440 8.801 4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.558 10.725 3.382 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.213 10.884 3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.684 10.389 1.868 1.00 0.00 H new ATOM 900 N ASP A 58 -2.709 7.962 3.765 1.00 0.00 N ATOM 901 CA ASP A 58 -3.905 7.207 3.431 1.00 0.00 C ATOM 902 C ASP A 58 -4.632 7.785 2.223 1.00 0.00 C ATOM 903 O ASP A 58 -5.530 7.149 1.677 1.00 0.00 O ATOM 904 CB ASP A 58 -4.869 7.136 4.613 1.00 0.00 C ATOM 905 CG ASP A 58 -4.171 6.794 5.915 1.00 0.00 C ATOM 906 OD1 ASP A 58 -3.782 7.730 6.644 1.00 0.00 O ATOM 907 OD2 ASP A 58 -4.012 5.589 6.204 1.00 0.00 O ATOM 0 H ASP A 58 -2.716 8.387 4.692 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.568 6.201 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.379 8.093 4.719 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.635 6.388 4.408 1.00 0.00 H new ATOM 912 N ASN A 59 -4.263 8.992 1.813 1.00 0.00 N ATOM 913 CA ASN A 59 -4.916 9.623 0.676 1.00 0.00 C ATOM 914 C ASN A 59 -4.094 9.488 -0.607 1.00 0.00 C ATOM 915 O ASN A 59 -4.290 10.246 -1.557 1.00 0.00 O ATOM 916 CB ASN A 59 -5.181 11.101 0.971 1.00 0.00 C ATOM 917 CG ASN A 59 -5.988 11.302 2.239 1.00 0.00 C ATOM 918 OD1 ASN A 59 -5.430 11.430 3.328 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.309 11.330 2.103 1.00 0.00 N ATOM 0 H ASN A 59 -3.524 9.547 2.245 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.863 9.106 0.518 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.230 11.627 1.061 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.713 11.547 0.131 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.903 11.462 2.921 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.729 11.220 1.180 1.00 0.00 H new ATOM 926 N GLU A 60 -3.174 8.525 -0.637 1.00 0.00 N ATOM 927 CA GLU A 60 -2.338 8.312 -1.814 1.00 0.00 C ATOM 928 C GLU A 60 -2.936 7.247 -2.736 1.00 0.00 C ATOM 929 O GLU A 60 -3.222 6.131 -2.304 1.00 0.00 O ATOM 930 CB GLU A 60 -0.930 7.903 -1.385 1.00 0.00 C ATOM 931 CG GLU A 60 -0.209 8.963 -0.568 1.00 0.00 C ATOM 932 CD GLU A 60 0.181 10.171 -1.396 1.00 0.00 C ATOM 933 OE1 GLU A 60 1.039 10.025 -2.291 1.00 0.00 O ATOM 934 OE2 GLU A 60 -0.372 11.264 -1.150 1.00 0.00 O ATOM 0 H GLU A 60 -2.990 7.885 0.135 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.290 9.249 -2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.990 6.985 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.340 7.678 -2.273 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.850 9.282 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.686 8.528 -0.123 1.00 0.00 H new ATOM 941 N ARG A 61 -3.121 7.600 -4.009 1.00 0.00 N ATOM 942 CA ARG A 61 -3.685 6.673 -4.991 1.00 0.00 C ATOM 943 C ARG A 61 -2.735 5.505 -5.234 1.00 0.00 C ATOM 944 O ARG A 61 -1.529 5.697 -5.378 1.00 0.00 O ATOM 945 CB ARG A 61 -3.982 7.399 -6.306 1.00 0.00 C ATOM 946 CG ARG A 61 -5.464 7.477 -6.640 1.00 0.00 C ATOM 947 CD ARG A 61 -6.001 8.891 -6.479 1.00 0.00 C ATOM 948 NE ARG A 61 -5.726 9.717 -7.652 1.00 0.00 N ATOM 949 CZ ARG A 61 -5.994 11.019 -7.721 1.00 0.00 C ATOM 950 NH1 ARG A 61 -6.544 11.646 -6.689 1.00 0.00 N ATOM 951 NH2 ARG A 61 -5.711 11.695 -8.825 1.00 0.00 N ATOM 0 H ARG A 61 -2.889 8.520 -4.384 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.620 6.281 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.577 8.410 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.462 6.890 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.625 7.141 -7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.020 6.800 -5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.077 8.853 -6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.553 9.351 -5.598 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.304 9.270 -8.466 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.764 11.130 -5.837 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.747 12.644 -6.748 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.288 11.218 -9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.916 12.693 -8.879 1.00 0.00 H new ATOM 965 N MET A 62 -3.291 4.294 -5.289 1.00 0.00 N ATOM 966 CA MET A 62 -2.497 3.081 -5.511 1.00 0.00 C ATOM 967 C MET A 62 -1.320 3.360 -6.434 1.00 0.00 C ATOM 968 O MET A 62 -0.213 3.635 -5.972 1.00 0.00 O ATOM 969 CB MET A 62 -3.376 1.978 -6.080 1.00 0.00 C ATOM 970 CG MET A 62 -2.662 0.645 -6.235 1.00 0.00 C ATOM 971 SD MET A 62 -2.612 0.072 -7.943 1.00 0.00 S ATOM 972 CE MET A 62 -0.884 -0.368 -8.100 1.00 0.00 C ATOM 0 H MET A 62 -4.291 4.125 -5.183 1.00 0.00 H new ATOM 0 HA MET A 62 -2.097 2.751 -4.552 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.241 1.843 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.754 2.293 -7.053 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.643 0.738 -5.858 1.00 0.00 H new ATOM 0 HG3 MET A 62 -3.162 -0.103 -5.620 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.551 -0.176 -9.120 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.292 0.229 -7.406 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.755 -1.426 -7.870 1.00 0.00 H new ATOM 982 N PHE A 63 -1.565 3.309 -7.735 1.00 0.00 N ATOM 983 CA PHE A 63 -0.506 3.584 -8.707 1.00 0.00 C ATOM 984 C PHE A 63 0.240 4.867 -8.348 1.00 0.00 C ATOM 985 O PHE A 63 1.448 4.968 -8.559 1.00 0.00 O ATOM 986 CB PHE A 63 -1.061 3.735 -10.127 1.00 0.00 C ATOM 987 CG PHE A 63 -2.164 2.785 -10.468 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.467 3.071 -10.109 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.900 1.614 -11.154 1.00 0.00 C ATOM 990 CE1 PHE A 63 -4.492 2.203 -10.427 1.00 0.00 C ATOM 991 CE2 PHE A 63 -2.918 0.741 -11.477 1.00 0.00 C ATOM 992 CZ PHE A 63 -4.218 1.034 -11.112 1.00 0.00 C ATOM 0 H PHE A 63 -2.473 3.084 -8.142 1.00 0.00 H new ATOM 0 HA PHE A 63 0.172 2.731 -8.676 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.425 4.755 -10.254 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.247 3.596 -10.838 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.686 3.983 -9.574 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.885 1.380 -11.440 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.507 2.437 -10.141 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.699 -0.170 -12.014 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.017 0.352 -11.361 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.483 5.848 -7.801 1.00 0.00 N ATOM 1003 CA ASP A 64 0.131 7.116 -7.432 1.00 0.00 C ATOM 1004 C ASP A 64 1.331 6.877 -6.537 1.00 0.00 C ATOM 1005 O ASP A 64 2.412 7.420 -6.763 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.876 8.032 -6.734 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.456 9.488 -6.774 1.00 0.00 C ATOM 1008 OD1 ASP A 64 0.142 9.961 -5.785 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -0.725 10.156 -7.795 1.00 0.00 O ATOM 0 H ASP A 64 -1.483 5.786 -7.607 1.00 0.00 H new ATOM 0 HA ASP A 64 0.463 7.610 -8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.851 7.925 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.991 7.718 -5.697 1.00 0.00 H new ATOM 1014 N VAL A 65 1.137 6.033 -5.537 1.00 0.00 N ATOM 1015 CA VAL A 65 2.208 5.686 -4.622 1.00 0.00 C ATOM 1016 C VAL A 65 3.233 4.822 -5.343 1.00 0.00 C ATOM 1017 O VAL A 65 4.413 4.820 -5.000 1.00 0.00 O ATOM 1018 CB VAL A 65 1.688 4.910 -3.392 1.00 0.00 C ATOM 1019 CG1 VAL A 65 2.690 4.990 -2.252 1.00 0.00 C ATOM 1020 CG2 VAL A 65 0.321 5.420 -2.951 1.00 0.00 C ATOM 0 H VAL A 65 0.247 5.576 -5.339 1.00 0.00 H new ATOM 0 HA VAL A 65 2.658 6.617 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 65 1.572 3.865 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.309 4.438 -1.393 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.638 4.556 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.843 6.033 -1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.016 4.853 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.394 6.475 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.393 5.297 -3.765 1.00 0.00 H new ATOM 1030 N LEU A 66 2.759 4.088 -6.348 1.00 0.00 N ATOM 1031 CA LEU A 66 3.606 3.201 -7.131 1.00 0.00 C ATOM 1032 C LEU A 66 4.469 3.978 -8.126 1.00 0.00 C ATOM 1033 O LEU A 66 5.426 3.440 -8.680 1.00 0.00 O ATOM 1034 CB LEU A 66 2.729 2.185 -7.866 1.00 0.00 C ATOM 1035 CG LEU A 66 2.990 0.723 -7.504 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.403 0.400 -6.137 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.410 -0.196 -8.566 1.00 0.00 C ATOM 0 H LEU A 66 1.781 4.094 -6.639 1.00 0.00 H new ATOM 0 HA LEU A 66 4.282 2.682 -6.452 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.683 2.414 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.876 2.310 -8.939 1.00 0.00 H new ATOM 0 HG LEU A 66 4.067 0.563 -7.461 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.598 -0.645 -5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.863 1.039 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.327 0.574 -6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.604 -1.234 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.334 -0.035 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.875 0.020 -9.528 1.00 0.00 H new ATOM 1049 N GLN A 67 4.121 5.242 -8.353 1.00 0.00 N ATOM 1050 CA GLN A 67 4.863 6.082 -9.287 1.00 0.00 C ATOM 1051 C GLN A 67 6.073 6.736 -8.619 1.00 0.00 C ATOM 1052 O GLN A 67 6.967 7.239 -9.301 1.00 0.00 O ATOM 1053 CB GLN A 67 3.947 7.159 -9.869 1.00 0.00 C ATOM 1054 CG GLN A 67 4.597 7.986 -10.965 1.00 0.00 C ATOM 1055 CD GLN A 67 3.739 9.159 -11.396 1.00 0.00 C ATOM 1056 OE1 GLN A 67 2.838 9.014 -12.223 1.00 0.00 O ATOM 1057 NE2 GLN A 67 4.016 10.332 -10.839 1.00 0.00 N ATOM 0 H GLN A 67 3.331 5.706 -7.904 1.00 0.00 H new ATOM 0 HA GLN A 67 5.228 5.441 -10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.050 6.684 -10.267 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.626 7.823 -9.067 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.561 8.355 -10.614 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.795 7.349 -11.827 1.00 0.00 H new ATOM 0 HE21 GLN A 67 4.772 10.407 -10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.473 11.158 -11.092 1.00 0.00 H new ATOM 1066 N ARG A 68 6.098 6.741 -7.288 1.00 0.00 N ATOM 1067 CA ARG A 68 7.200 7.350 -6.554 1.00 0.00 C ATOM 1068 C ARG A 68 8.374 6.385 -6.395 1.00 0.00 C ATOM 1069 O ARG A 68 9.527 6.809 -6.326 1.00 0.00 O ATOM 1070 CB ARG A 68 6.724 7.824 -5.179 1.00 0.00 C ATOM 1071 CG ARG A 68 6.338 6.695 -4.237 1.00 0.00 C ATOM 1072 CD ARG A 68 7.063 6.814 -2.907 1.00 0.00 C ATOM 1073 NE ARG A 68 6.414 7.773 -2.014 1.00 0.00 N ATOM 1074 CZ ARG A 68 6.854 9.013 -1.800 1.00 0.00 C ATOM 1075 NH1 ARG A 68 7.944 9.461 -2.414 1.00 0.00 N ATOM 1076 NH2 ARG A 68 6.199 9.811 -0.967 1.00 0.00 N ATOM 0 H ARG A 68 5.371 6.332 -6.700 1.00 0.00 H new ATOM 0 HA ARG A 68 7.546 8.207 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.514 8.416 -4.716 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.866 8.484 -5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.261 6.710 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.575 5.736 -4.698 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.099 5.837 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.094 7.122 -3.082 1.00 0.00 H new ATOM 0 HE ARG A 68 5.571 7.474 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.453 8.854 -3.057 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.272 10.412 -2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.361 9.475 -0.492 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.533 10.760 -0.801 1.00 0.00 H new ATOM 1090 N PHE A 69 8.081 5.089 -6.338 1.00 0.00 N ATOM 1091 CA PHE A 69 9.127 4.081 -6.187 1.00 0.00 C ATOM 1092 C PHE A 69 10.087 4.120 -7.372 1.00 0.00 C ATOM 1093 O PHE A 69 11.305 4.092 -7.199 1.00 0.00 O ATOM 1094 CB PHE A 69 8.516 2.684 -6.062 1.00 0.00 C ATOM 1095 CG PHE A 69 7.615 2.517 -4.871 1.00 0.00 C ATOM 1096 CD1 PHE A 69 8.110 2.039 -3.667 1.00 0.00 C ATOM 1097 CD2 PHE A 69 6.273 2.829 -4.959 1.00 0.00 C ATOM 1098 CE1 PHE A 69 7.281 1.877 -2.573 1.00 0.00 C ATOM 1099 CE2 PHE A 69 5.437 2.670 -3.872 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.940 2.195 -2.680 1.00 0.00 C ATOM 0 H PHE A 69 7.134 4.713 -6.394 1.00 0.00 H new ATOM 0 HA PHE A 69 9.682 4.306 -5.276 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.950 2.464 -6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.320 1.951 -6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 69 9.158 1.790 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.872 3.202 -5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 69 7.678 1.504 -1.640 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.389 2.918 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.286 2.071 -1.829 1.00 0.00 H new ATOM 1110 N GLY A 70 9.529 4.181 -8.577 1.00 0.00 N ATOM 1111 CA GLY A 70 10.348 4.221 -9.775 1.00 0.00 C ATOM 1112 C GLY A 70 9.918 3.192 -10.803 1.00 0.00 C ATOM 1113 O GLY A 70 8.730 3.060 -11.100 1.00 0.00 O ATOM 0 H GLY A 70 8.523 4.203 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.294 5.216 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.390 4.048 -9.506 1.00 0.00 H new ATOM 1117 N SER A 71 10.885 2.461 -11.347 1.00 0.00 N ATOM 1118 CA SER A 71 10.599 1.438 -12.347 1.00 0.00 C ATOM 1119 C SER A 71 10.550 0.053 -11.710 1.00 0.00 C ATOM 1120 O SER A 71 10.851 -0.950 -12.358 1.00 0.00 O ATOM 1121 CB SER A 71 11.654 1.467 -13.454 1.00 0.00 C ATOM 1122 OG SER A 71 11.797 2.771 -13.989 1.00 0.00 O ATOM 0 H SER A 71 11.873 2.558 -11.113 1.00 0.00 H new ATOM 0 HA SER A 71 9.622 1.653 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.611 1.126 -13.058 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.372 0.774 -14.247 1.00 0.00 H new ATOM 0 HG SER A 71 12.478 2.763 -14.693 1.00 0.00 H new ATOM 1128 N GLN A 72 10.169 0.006 -10.438 1.00 0.00 N ATOM 1129 CA GLN A 72 10.078 -1.255 -9.712 1.00 0.00 C ATOM 1130 C GLN A 72 8.869 -1.257 -8.783 1.00 0.00 C ATOM 1131 O GLN A 72 8.985 -0.958 -7.595 1.00 0.00 O ATOM 1132 CB GLN A 72 11.358 -1.500 -8.910 1.00 0.00 C ATOM 1133 CG GLN A 72 12.217 -2.624 -9.466 1.00 0.00 C ATOM 1134 CD GLN A 72 13.695 -2.291 -9.454 1.00 0.00 C ATOM 1135 OE1 GLN A 72 14.370 -2.443 -8.436 1.00 0.00 O ATOM 1136 NE2 GLN A 72 14.208 -1.833 -10.590 1.00 0.00 N ATOM 0 H GLN A 72 9.918 0.828 -9.888 1.00 0.00 H new ATOM 0 HA GLN A 72 9.957 -2.059 -10.438 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.945 -0.582 -8.888 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.092 -1.733 -7.879 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.048 -3.528 -8.881 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.906 -2.842 -10.488 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.612 -1.722 -11.411 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.198 -1.592 -10.642 1.00 0.00 H new ATOM 1145 N ARG A 73 7.709 -1.595 -9.334 1.00 0.00 N ATOM 1146 CA ARG A 73 6.476 -1.635 -8.554 1.00 0.00 C ATOM 1147 C ARG A 73 6.309 -2.980 -7.853 1.00 0.00 C ATOM 1148 O ARG A 73 5.582 -3.086 -6.864 1.00 0.00 O ATOM 1149 CB ARG A 73 5.264 -1.353 -9.447 1.00 0.00 C ATOM 1150 CG ARG A 73 5.276 -2.113 -10.765 1.00 0.00 C ATOM 1151 CD ARG A 73 4.004 -1.864 -11.559 1.00 0.00 C ATOM 1152 NE ARG A 73 3.953 -0.505 -12.096 1.00 0.00 N ATOM 1153 CZ ARG A 73 4.728 -0.070 -13.087 1.00 0.00 C ATOM 1154 NH1 ARG A 73 5.609 -0.884 -13.656 1.00 0.00 N ATOM 1155 NH2 ARG A 73 4.623 1.181 -13.511 1.00 0.00 N ATOM 0 H ARG A 73 7.596 -1.845 -10.316 1.00 0.00 H new ATOM 0 HA ARG A 73 6.541 -0.859 -7.792 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.356 -1.608 -8.901 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.221 -0.284 -9.656 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.141 -1.808 -11.355 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.383 -3.180 -10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.941 -2.580 -12.378 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.138 -2.034 -10.920 1.00 0.00 H new ATOM 0 HE ARG A 73 3.284 0.148 -11.687 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.695 -1.848 -13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.200 -0.545 -14.415 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.948 1.811 -13.078 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.217 1.514 -14.270 1.00 0.00 H new ATOM 1169 N ASN A 74 6.987 -4.005 -8.362 1.00 0.00 N ATOM 1170 CA ASN A 74 6.912 -5.338 -7.772 1.00 0.00 C ATOM 1171 C ASN A 74 8.041 -5.553 -6.765 1.00 0.00 C ATOM 1172 O ASN A 74 8.389 -6.689 -6.441 1.00 0.00 O ATOM 1173 CB ASN A 74 6.976 -6.407 -8.864 1.00 0.00 C ATOM 1174 CG ASN A 74 8.140 -6.198 -9.813 1.00 0.00 C ATOM 1175 OD1 ASN A 74 8.858 -5.202 -9.722 1.00 0.00 O ATOM 1176 ND2 ASN A 74 8.332 -7.137 -10.731 1.00 0.00 N ATOM 0 H ASN A 74 7.593 -3.938 -9.180 1.00 0.00 H new ATOM 0 HA ASN A 74 5.961 -5.422 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.061 -7.390 -8.401 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.044 -6.400 -9.430 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.099 -7.049 -11.397 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.712 -7.946 -10.770 1.00 0.00 H new ATOM 1183 N GLU A 75 8.609 -4.455 -6.274 1.00 0.00 N ATOM 1184 CA GLU A 75 9.700 -4.517 -5.305 1.00 0.00 C ATOM 1185 C GLU A 75 9.321 -3.829 -3.993 1.00 0.00 C ATOM 1186 O GLU A 75 10.045 -3.930 -3.002 1.00 0.00 O ATOM 1187 CB GLU A 75 10.947 -3.838 -5.877 1.00 0.00 C ATOM 1188 CG GLU A 75 12.250 -4.483 -5.433 1.00 0.00 C ATOM 1189 CD GLU A 75 12.548 -5.768 -6.180 1.00 0.00 C ATOM 1190 OE1 GLU A 75 12.001 -5.952 -7.287 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.329 -6.591 -5.658 1.00 0.00 O ATOM 0 H GLU A 75 8.331 -3.508 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 75 9.903 -5.569 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.894 -3.858 -6.966 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.950 -2.790 -5.577 1.00 0.00 H new ATOM 0 HG2 GLU A 75 13.069 -3.780 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 75 12.203 -4.691 -4.364 1.00 0.00 H new ATOM 1198 N VAL A 76 8.199 -3.112 -4.001 1.00 0.00 N ATOM 1199 CA VAL A 76 7.738 -2.377 -2.820 1.00 0.00 C ATOM 1200 C VAL A 76 6.757 -3.193 -1.986 1.00 0.00 C ATOM 1201 O VAL A 76 6.158 -4.157 -2.462 1.00 0.00 O ATOM 1202 CB VAL A 76 7.073 -1.029 -3.216 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.770 -0.974 -4.706 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.807 -0.752 -2.398 1.00 0.00 C ATOM 0 H VAL A 76 7.589 -3.023 -4.814 1.00 0.00 H new ATOM 0 HA VAL A 76 8.625 -2.178 -2.218 1.00 0.00 H new ATOM 0 HB VAL A 76 7.794 -0.244 -2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.306 -0.018 -4.948 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.697 -1.080 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.090 -1.784 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.375 0.200 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.084 -1.550 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.061 -0.708 -1.339 1.00 0.00 H new ATOM 1214 N ARG A 77 6.582 -2.761 -0.743 1.00 0.00 N ATOM 1215 CA ARG A 77 5.656 -3.395 0.180 1.00 0.00 C ATOM 1216 C ARG A 77 4.820 -2.331 0.877 1.00 0.00 C ATOM 1217 O ARG A 77 5.317 -1.246 1.185 1.00 0.00 O ATOM 1218 CB ARG A 77 6.409 -4.236 1.211 1.00 0.00 C ATOM 1219 CG ARG A 77 6.648 -5.671 0.770 1.00 0.00 C ATOM 1220 CD ARG A 77 7.769 -5.768 -0.252 1.00 0.00 C ATOM 1221 NE ARG A 77 8.852 -6.635 0.209 1.00 0.00 N ATOM 1222 CZ ARG A 77 9.652 -7.323 -0.602 1.00 0.00 C ATOM 1223 NH1 ARG A 77 9.509 -7.243 -1.921 1.00 0.00 N ATOM 1224 NH2 ARG A 77 10.604 -8.094 -0.094 1.00 0.00 N ATOM 0 H ARG A 77 7.079 -1.962 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 77 4.999 -4.058 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.369 -3.765 1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.846 -4.241 2.144 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.894 -6.282 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.731 -6.078 0.344 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.372 -6.152 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.162 -4.772 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 77 9.004 -6.718 1.214 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.781 -6.650 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 77 10.127 -7.774 -2.534 1.00 0.00 H new ATOM 0 HH21 ARG A 77 10.722 -8.159 0.917 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.218 -8.622 -0.714 1.00 0.00 H new ATOM 1238 N PHE A 78 3.555 -2.651 1.126 1.00 0.00 N ATOM 1239 CA PHE A 78 2.647 -1.741 1.806 1.00 0.00 C ATOM 1240 C PHE A 78 2.421 -2.268 3.211 1.00 0.00 C ATOM 1241 O PHE A 78 2.251 -3.466 3.394 1.00 0.00 O ATOM 1242 CB PHE A 78 1.323 -1.629 1.046 1.00 0.00 C ATOM 1243 CG PHE A 78 1.419 -0.813 -0.216 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.485 0.171 -0.489 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.442 -1.031 -1.127 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.567 0.925 -1.644 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.529 -0.281 -2.284 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.590 0.699 -2.543 1.00 0.00 C ATOM 0 H PHE A 78 3.134 -3.542 0.864 1.00 0.00 H new ATOM 0 HA PHE A 78 3.080 -0.741 1.848 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.972 -2.630 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.574 -1.183 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.318 0.352 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.179 -1.796 -0.930 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.168 1.690 -1.843 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.330 -0.461 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.656 1.287 -3.447 1.00 0.00 H new ATOM 1258 N PHE A 79 2.479 -1.396 4.208 1.00 0.00 N ATOM 1259 CA PHE A 79 2.325 -1.834 5.598 1.00 0.00 C ATOM 1260 C PHE A 79 1.542 -0.819 6.419 1.00 0.00 C ATOM 1261 O PHE A 79 1.764 0.384 6.300 1.00 0.00 O ATOM 1262 CB PHE A 79 3.712 -2.074 6.216 1.00 0.00 C ATOM 1263 CG PHE A 79 4.817 -2.008 5.198 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.615 -3.106 4.927 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.031 -0.840 4.492 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.603 -3.036 3.969 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.014 -0.759 3.533 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.801 -1.866 3.268 1.00 0.00 C ATOM 0 H PHE A 79 2.629 -0.394 4.089 1.00 0.00 H new ATOM 0 HA PHE A 79 1.758 -2.765 5.606 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.893 -1.331 6.993 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.726 -3.051 6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.462 -4.026 5.471 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.416 0.024 4.696 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.222 -3.898 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.170 0.162 2.991 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.570 -1.813 2.512 1.00 0.00 H new ATOM 1278 N LEU A 80 0.627 -1.300 7.257 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.166 -0.393 8.080 1.00 0.00 C ATOM 1280 C LEU A 80 0.476 -0.179 9.446 1.00 0.00 C ATOM 1281 O LEU A 80 0.725 -1.131 10.185 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.595 -0.909 8.242 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.673 0.153 8.024 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.873 0.406 6.539 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -3.979 -0.264 8.681 1.00 0.00 C ATOM 0 H LEU A 80 0.419 -2.291 7.383 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.200 0.568 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.757 -1.725 7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.708 -1.325 9.243 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.343 1.081 8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.643 1.164 6.400 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.938 0.754 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.181 -0.518 6.051 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.732 0.506 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.319 -1.205 8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.823 -0.392 9.752 1.00 0.00 H new ATOM 1297 N ARG A 81 0.740 1.084 9.772 1.00 0.00 N ATOM 1298 CA ARG A 81 1.352 1.433 11.049 1.00 0.00 C ATOM 1299 C ARG A 81 0.345 2.120 11.963 1.00 0.00 C ATOM 1300 O ARG A 81 -0.275 3.114 11.585 1.00 0.00 O ATOM 1301 CB ARG A 81 2.561 2.344 10.826 1.00 0.00 C ATOM 1302 CG ARG A 81 3.599 1.758 9.882 1.00 0.00 C ATOM 1303 CD ARG A 81 4.946 1.585 10.567 1.00 0.00 C ATOM 1304 NE ARG A 81 5.854 0.751 9.784 1.00 0.00 N ATOM 1305 CZ ARG A 81 6.932 0.154 10.287 1.00 0.00 C ATOM 1306 NH1 ARG A 81 7.241 0.297 11.570 1.00 0.00 N ATOM 1307 NH2 ARG A 81 7.703 -0.590 9.506 1.00 0.00 N ATOM 0 H ARG A 81 0.539 1.882 9.169 1.00 0.00 H new ATOM 0 HA ARG A 81 1.683 0.513 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.217 3.299 10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.032 2.551 11.787 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.252 0.793 9.512 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.712 2.409 9.015 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.399 2.563 10.728 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.798 1.137 11.550 1.00 0.00 H new ATOM 0 HE ARG A 81 5.650 0.618 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.651 0.867 12.176 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.068 -0.163 11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 81 7.470 -0.705 8.520 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.529 -1.047 9.892 1.00 0.00 H new