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 142:sc= -0.212 (180deg=-1.87!) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0361 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.5!) USER MOD Single : A 16 HIS : no HD1:sc= -15.3! C(o=-15!,f=-15!) USER MOD Single : A 18 THR OG1 : rot 120:sc= -4.65! USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -131:sc= -5.61! USER MOD Single : A 35 CYS SG : rot 1:sc= -11! USER MOD Single : A 36 LYS NZ :NH3+ 154:sc= 0.0269 (180deg=0) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HE2:sc= 0.363 K(o=0.36,f=-7.6!) USER MOD Single : A 50 CYS SG : rot 180:sc=-0.00337 USER MOD Single : A 52 SER OG : rot 82:sc= 1.11 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 MET CE :methyl 159:sc= -8.28! (180deg=-11.2!) USER MOD Single : A 67 GLN : amide:sc= -0.235 X(o=-0.23,f=-0.044) 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= -0.0314 K(o=-0.031,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 76 N MET A 4 -3.798 -1.990 -11.304 1.00 0.00 N ATOM 77 CA MET A 4 -2.772 -2.697 -10.548 1.00 0.00 C ATOM 78 C MET A 4 -3.251 -2.987 -9.131 1.00 0.00 C ATOM 79 O MET A 4 -4.381 -2.661 -8.770 1.00 0.00 O ATOM 80 CB MET A 4 -1.477 -1.884 -10.507 1.00 0.00 C ATOM 81 CG MET A 4 -0.856 -1.661 -11.877 1.00 0.00 C ATOM 82 SD MET A 4 0.337 -2.941 -12.313 1.00 0.00 S ATOM 83 CE MET A 4 -0.744 -4.189 -13.007 1.00 0.00 C ATOM 0 HA MET A 4 -2.575 -3.644 -11.050 1.00 0.00 H new ATOM 0 HB2 MET A 4 -1.679 -0.917 -10.047 1.00 0.00 H new ATOM 0 HB3 MET A 4 -0.756 -2.396 -9.869 1.00 0.00 H new ATOM 0 HG2 MET A 4 -1.644 -1.633 -12.629 1.00 0.00 H new ATOM 0 HG3 MET A 4 -0.363 -0.689 -11.895 1.00 0.00 H new ATOM 0 HE1 MET A 4 -0.255 -4.660 -13.860 1.00 0.00 H new ATOM 0 HE2 MET A 4 -0.961 -4.944 -12.251 1.00 0.00 H new ATOM 0 HE3 MET A 4 -1.674 -3.724 -13.333 1.00 0.00 H new ATOM 93 N PHE A 5 -2.387 -3.604 -8.334 1.00 0.00 N ATOM 94 CA PHE A 5 -2.728 -3.941 -6.957 1.00 0.00 C ATOM 95 C PHE A 5 -1.513 -3.831 -6.047 1.00 0.00 C ATOM 96 O PHE A 5 -0.371 -3.917 -6.501 1.00 0.00 O ATOM 97 CB PHE A 5 -3.299 -5.359 -6.888 1.00 0.00 C ATOM 98 CG PHE A 5 -2.329 -6.412 -7.340 1.00 0.00 C ATOM 99 CD1 PHE A 5 -1.854 -6.421 -8.641 1.00 0.00 C ATOM 100 CD2 PHE A 5 -1.888 -7.390 -6.462 1.00 0.00 C ATOM 101 CE1 PHE A 5 -0.958 -7.385 -9.060 1.00 0.00 C ATOM 102 CE2 PHE A 5 -0.992 -8.358 -6.875 1.00 0.00 C ATOM 103 CZ PHE A 5 -0.526 -8.355 -8.176 1.00 0.00 C ATOM 0 H PHE A 5 -1.447 -3.881 -8.617 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.480 -3.230 -6.613 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.604 -5.571 -5.863 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.196 -5.412 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.188 -5.665 -9.336 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.249 -7.396 -5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.596 -7.381 -10.077 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.657 -9.115 -6.182 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.175 -9.110 -8.501 1.00 0.00 H new ATOM 113 N LEU A 6 -1.769 -3.638 -4.760 1.00 0.00 N ATOM 114 CA LEU A 6 -0.704 -3.510 -3.775 1.00 0.00 C ATOM 115 C LEU A 6 -0.921 -4.464 -2.607 1.00 0.00 C ATOM 116 O LEU A 6 -2.049 -4.655 -2.152 1.00 0.00 O ATOM 117 CB LEU A 6 -0.644 -2.078 -3.256 1.00 0.00 C ATOM 118 CG LEU A 6 -1.953 -1.564 -2.665 1.00 0.00 C ATOM 119 CD1 LEU A 6 -2.018 -1.860 -1.175 1.00 0.00 C ATOM 120 CD2 LEU A 6 -2.109 -0.072 -2.929 1.00 0.00 C ATOM 0 H LEU A 6 -2.710 -3.566 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 6 0.238 -3.764 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.134 -2.013 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.346 -1.421 -4.073 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.779 -2.083 -3.151 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.959 -1.486 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.956 -2.936 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.186 -1.370 -0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -3.048 0.277 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.279 0.467 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.111 0.109 -4.004 1.00 0.00 H new ATOM 132 N THR A 7 0.165 -5.046 -2.117 1.00 0.00 N ATOM 133 CA THR A 7 0.090 -5.968 -0.990 1.00 0.00 C ATOM 134 C THR A 7 0.368 -5.240 0.318 1.00 0.00 C ATOM 135 O THR A 7 1.501 -4.848 0.593 1.00 0.00 O ATOM 136 CB THR A 7 1.074 -7.123 -1.153 1.00 0.00 C ATOM 137 OG1 THR A 7 0.872 -7.787 -2.389 1.00 0.00 O ATOM 138 CG2 THR A 7 0.950 -8.148 -0.048 1.00 0.00 C ATOM 0 H THR A 7 1.106 -4.897 -2.480 1.00 0.00 H new ATOM 0 HA THR A 7 -0.921 -6.375 -0.966 1.00 0.00 H new ATOM 0 HB THR A 7 2.068 -6.678 -1.114 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.514 -8.523 -2.474 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.672 -8.948 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.146 -7.673 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.058 -8.563 -0.048 1.00 0.00 H new ATOM 146 N VAL A 8 -0.676 -5.069 1.118 1.00 0.00 N ATOM 147 CA VAL A 8 -0.555 -4.387 2.402 1.00 0.00 C ATOM 148 C VAL A 8 -0.233 -5.383 3.509 1.00 0.00 C ATOM 149 O VAL A 8 -0.493 -6.573 3.373 1.00 0.00 O ATOM 150 CB VAL A 8 -1.843 -3.617 2.769 1.00 0.00 C ATOM 151 CG1 VAL A 8 -1.542 -2.531 3.789 1.00 0.00 C ATOM 152 CG2 VAL A 8 -2.499 -3.014 1.532 1.00 0.00 C ATOM 0 H VAL A 8 -1.618 -5.393 0.901 1.00 0.00 H new ATOM 0 HA VAL A 8 0.259 -3.668 2.305 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.542 -4.328 3.208 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.461 -1.999 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.131 -2.983 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.818 -1.831 3.372 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.403 -2.479 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.806 -2.322 1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.758 -3.809 0.833 1.00 0.00 H new ATOM 162 N TYR A 9 0.354 -4.898 4.595 1.00 0.00 N ATOM 163 CA TYR A 9 0.723 -5.761 5.706 1.00 0.00 C ATOM 164 C TYR A 9 -0.115 -5.469 6.938 1.00 0.00 C ATOM 165 O TYR A 9 -0.262 -4.315 7.356 1.00 0.00 O ATOM 166 CB TYR A 9 2.212 -5.624 6.017 1.00 0.00 C ATOM 167 CG TYR A 9 3.075 -6.540 5.180 1.00 0.00 C ATOM 168 CD1 TYR A 9 2.937 -6.580 3.798 1.00 0.00 C ATOM 169 CD2 TYR A 9 4.025 -7.361 5.769 1.00 0.00 C ATOM 170 CE1 TYR A 9 3.725 -7.412 3.026 1.00 0.00 C ATOM 171 CE2 TYR A 9 4.816 -8.198 5.005 1.00 0.00 C ATOM 172 CZ TYR A 9 4.663 -8.219 3.634 1.00 0.00 C ATOM 173 OH TYR A 9 5.450 -9.050 2.871 1.00 0.00 O ATOM 0 H TYR A 9 0.584 -3.913 4.729 1.00 0.00 H new ATOM 0 HA TYR A 9 0.524 -6.791 5.410 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.519 -4.592 5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.379 -5.840 7.072 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.202 -5.950 3.319 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.149 -7.346 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.607 -7.430 1.953 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.550 -8.833 5.479 1.00 0.00 H new ATOM 0 HH TYR A 9 6.059 -9.550 3.454 1.00 0.00 H new ATOM 183 N LEU A 10 -0.665 -6.539 7.502 1.00 0.00 N ATOM 184 CA LEU A 10 -1.509 -6.449 8.686 1.00 0.00 C ATOM 185 C LEU A 10 -0.680 -6.522 9.960 1.00 0.00 C ATOM 186 O LEU A 10 0.201 -7.370 10.095 1.00 0.00 O ATOM 187 CB LEU A 10 -2.539 -7.580 8.684 1.00 0.00 C ATOM 188 CG LEU A 10 -3.451 -7.633 7.460 1.00 0.00 C ATOM 189 CD1 LEU A 10 -2.822 -8.476 6.358 1.00 0.00 C ATOM 190 CD2 LEU A 10 -4.824 -8.176 7.838 1.00 0.00 C ATOM 0 H LEU A 10 -0.539 -7.489 7.152 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.020 -5.487 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.011 -8.530 8.764 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.160 -7.485 9.575 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.578 -6.619 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.487 -8.501 5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.866 -8.040 6.067 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.662 -9.491 6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.460 -8.206 6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.718 -9.182 8.243 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.277 -7.528 8.588 1.00 0.00 H new ATOM 241 N GLU A 14 5.476 -9.655 9.300 1.00 0.00 N ATOM 242 CA GLU A 14 6.190 -9.633 8.028 1.00 0.00 C ATOM 243 C GLU A 14 5.698 -10.737 7.090 1.00 0.00 C ATOM 244 O GLU A 14 6.223 -10.903 5.989 1.00 0.00 O ATOM 245 CB GLU A 14 7.694 -9.785 8.263 1.00 0.00 C ATOM 246 CG GLU A 14 8.360 -8.521 8.779 1.00 0.00 C ATOM 247 CD GLU A 14 9.783 -8.364 8.279 1.00 0.00 C ATOM 248 OE1 GLU A 14 10.668 -8.036 9.098 1.00 0.00 O ATOM 249 OE2 GLU A 14 10.013 -8.570 7.068 1.00 0.00 O ATOM 0 HA GLU A 14 5.992 -8.672 7.554 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.862 -10.591 8.977 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.171 -10.082 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.774 -7.655 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.362 -8.535 9.869 1.00 0.00 H new ATOM 256 N GLN A 15 4.693 -11.492 7.528 1.00 0.00 N ATOM 257 CA GLN A 15 4.146 -12.576 6.717 1.00 0.00 C ATOM 258 C GLN A 15 2.645 -12.431 6.528 1.00 0.00 C ATOM 259 O GLN A 15 2.069 -13.092 5.663 1.00 0.00 O ATOM 260 CB GLN A 15 4.468 -13.932 7.346 1.00 0.00 C ATOM 261 CG GLN A 15 5.791 -14.519 6.882 1.00 0.00 C ATOM 262 CD GLN A 15 5.613 -15.593 5.826 1.00 0.00 C ATOM 263 OE1 GLN A 15 4.543 -15.725 5.233 1.00 0.00 O ATOM 264 NE2 GLN A 15 6.664 -16.369 5.588 1.00 0.00 N ATOM 0 H GLN A 15 4.243 -11.374 8.436 1.00 0.00 H new ATOM 0 HA GLN A 15 4.615 -12.519 5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.488 -13.824 8.430 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.667 -14.632 7.110 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.418 -13.722 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.318 -14.940 7.738 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.532 -16.224 6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.603 -17.110 4.890 1.00 0.00 H new ATOM 273 N HIS A 16 2.003 -11.548 7.292 1.00 0.00 N ATOM 274 CA HIS A 16 0.578 -11.353 7.103 1.00 0.00 C ATOM 275 C HIS A 16 0.385 -10.096 6.282 1.00 0.00 C ATOM 276 O HIS A 16 0.822 -9.011 6.663 1.00 0.00 O ATOM 277 CB HIS A 16 -0.117 -11.205 8.459 1.00 0.00 C ATOM 278 CG HIS A 16 -1.605 -11.072 8.377 1.00 0.00 C ATOM 279 ND1 HIS A 16 -2.375 -10.666 9.445 1.00 0.00 N ATOM 280 CD2 HIS A 16 -2.465 -11.282 7.352 1.00 0.00 C ATOM 281 CE1 HIS A 16 -3.643 -10.628 9.084 1.00 0.00 C ATOM 282 NE2 HIS A 16 -3.726 -10.997 7.818 1.00 0.00 N ATOM 0 H HIS A 16 2.433 -10.978 8.021 1.00 0.00 H new ATOM 0 HA HIS A 16 0.144 -12.211 6.590 1.00 0.00 H new ATOM 0 HB2 HIS A 16 0.125 -12.071 9.075 1.00 0.00 H new ATOM 0 HB3 HIS A 16 0.287 -10.330 8.967 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.208 -11.611 6.356 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -4.472 -10.344 9.715 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -4.587 -11.060 7.274 1.00 0.00 H new ATOM 291 N PHE A 17 -0.265 -10.258 5.148 1.00 0.00 N ATOM 292 CA PHE A 17 -0.516 -9.152 4.249 1.00 0.00 C ATOM 293 C PHE A 17 -1.863 -9.279 3.576 1.00 0.00 C ATOM 294 O PHE A 17 -2.410 -10.375 3.453 1.00 0.00 O ATOM 295 CB PHE A 17 0.578 -9.065 3.197 1.00 0.00 C ATOM 296 CG PHE A 17 0.883 -10.388 2.580 1.00 0.00 C ATOM 297 CD1 PHE A 17 1.960 -11.141 3.032 1.00 0.00 C ATOM 298 CD2 PHE A 17 0.088 -10.887 1.556 1.00 0.00 C ATOM 299 CE1 PHE A 17 2.245 -12.367 2.476 1.00 0.00 C ATOM 300 CE2 PHE A 17 0.371 -12.120 0.993 1.00 0.00 C ATOM 301 CZ PHE A 17 1.452 -12.860 1.452 1.00 0.00 C ATOM 0 H PHE A 17 -0.632 -11.154 4.826 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.518 -8.239 4.845 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.274 -8.366 2.418 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.483 -8.662 3.651 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.581 -10.759 3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.753 -10.312 1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.084 -12.943 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.249 -12.506 0.197 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.675 -13.820 1.011 1.00 0.00 H new ATOM 311 N THR A 18 -2.358 -8.167 3.084 1.00 0.00 N ATOM 312 CA THR A 18 -3.601 -8.165 2.350 1.00 0.00 C ATOM 313 C THR A 18 -3.418 -7.367 1.071 1.00 0.00 C ATOM 314 O THR A 18 -3.163 -6.163 1.108 1.00 0.00 O ATOM 315 CB THR A 18 -4.739 -7.588 3.191 1.00 0.00 C ATOM 316 OG1 THR A 18 -5.959 -7.625 2.474 1.00 0.00 O ATOM 317 CG2 THR A 18 -4.497 -6.156 3.614 1.00 0.00 C ATOM 0 H THR A 18 -1.918 -7.252 3.179 1.00 0.00 H new ATOM 0 HA THR A 18 -3.871 -9.192 2.103 1.00 0.00 H new ATOM 0 HB THR A 18 -4.788 -8.212 4.084 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.609 -8.172 2.962 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.341 -5.805 4.208 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.586 -6.102 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.390 -5.528 2.729 1.00 0.00 H new ATOM 325 N GLU A 19 -3.525 -8.050 -0.059 1.00 0.00 N ATOM 326 CA GLU A 19 -3.343 -7.405 -1.349 1.00 0.00 C ATOM 327 C GLU A 19 -4.673 -6.944 -1.919 1.00 0.00 C ATOM 328 O GLU A 19 -5.725 -7.498 -1.601 1.00 0.00 O ATOM 329 CB GLU A 19 -2.637 -8.349 -2.322 1.00 0.00 C ATOM 330 CG GLU A 19 -3.097 -9.795 -2.228 1.00 0.00 C ATOM 331 CD GLU A 19 -3.107 -10.493 -3.574 1.00 0.00 C ATOM 332 OE1 GLU A 19 -2.015 -10.704 -4.141 1.00 0.00 O ATOM 333 OE2 GLU A 19 -4.207 -10.828 -4.061 1.00 0.00 O ATOM 0 H GLU A 19 -3.736 -9.047 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.717 -6.525 -1.204 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.799 -7.993 -3.339 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.564 -8.308 -2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.441 -10.337 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.099 -9.827 -1.799 1.00 0.00 H new ATOM 340 N VAL A 20 -4.620 -5.902 -2.739 1.00 0.00 N ATOM 341 CA VAL A 20 -5.832 -5.342 -3.322 1.00 0.00 C ATOM 342 C VAL A 20 -5.562 -4.566 -4.611 1.00 0.00 C ATOM 343 O VAL A 20 -4.592 -3.814 -4.702 1.00 0.00 O ATOM 344 CB VAL A 20 -6.506 -4.383 -2.326 1.00 0.00 C ATOM 345 CG1 VAL A 20 -7.053 -5.149 -1.132 1.00 0.00 C ATOM 346 CG2 VAL A 20 -5.521 -3.307 -1.879 1.00 0.00 C ATOM 0 H VAL A 20 -3.758 -5.431 -3.014 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.479 -6.188 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.344 -3.895 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -7.526 -4.453 -0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -7.789 -5.878 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.237 -5.666 -0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.011 -2.635 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.664 -3.776 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.184 -2.740 -2.746 1.00 0.00 H new ATOM 356 N PRO A 21 -6.448 -4.712 -5.615 1.00 0.00 N ATOM 357 CA PRO A 21 -6.338 -4.003 -6.881 1.00 0.00 C ATOM 358 C PRO A 21 -7.054 -2.659 -6.806 1.00 0.00 C ATOM 359 O PRO A 21 -8.270 -2.610 -6.619 1.00 0.00 O ATOM 360 CB PRO A 21 -7.048 -4.944 -7.845 1.00 0.00 C ATOM 361 CG PRO A 21 -8.123 -5.582 -7.024 1.00 0.00 C ATOM 362 CD PRO A 21 -7.654 -5.561 -5.584 1.00 0.00 C ATOM 0 HA PRO A 21 -5.312 -3.776 -7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.466 -4.402 -8.693 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.363 -5.689 -8.249 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.063 -5.040 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.305 -6.604 -7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.416 -5.149 -4.922 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.427 -6.564 -5.223 1.00 0.00 H new ATOM 370 N VAL A 22 -6.302 -1.570 -6.915 1.00 0.00 N ATOM 371 CA VAL A 22 -6.891 -0.237 -6.814 1.00 0.00 C ATOM 372 C VAL A 22 -6.595 0.628 -8.030 1.00 0.00 C ATOM 373 O VAL A 22 -5.627 0.412 -8.758 1.00 0.00 O ATOM 374 CB VAL A 22 -6.402 0.503 -5.533 1.00 0.00 C ATOM 375 CG1 VAL A 22 -5.182 -0.188 -4.943 1.00 0.00 C ATOM 376 CG2 VAL A 22 -6.093 1.982 -5.798 1.00 0.00 C ATOM 0 H VAL A 22 -5.294 -1.581 -7.072 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.969 -0.392 -6.759 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.220 0.462 -4.813 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.858 0.346 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.437 -1.215 -4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.375 -0.191 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.756 2.454 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.310 2.061 -6.553 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.993 2.483 -6.155 1.00 0.00 H new ATOM 386 N THR A 23 -7.425 1.646 -8.186 1.00 0.00 N ATOM 387 CA THR A 23 -7.280 2.623 -9.244 1.00 0.00 C ATOM 388 C THR A 23 -7.083 3.983 -8.588 1.00 0.00 C ATOM 389 O THR A 23 -7.347 4.131 -7.396 1.00 0.00 O ATOM 390 CB THR A 23 -8.516 2.631 -10.146 1.00 0.00 C ATOM 391 OG1 THR A 23 -9.692 2.413 -9.387 1.00 0.00 O ATOM 392 CG2 THR A 23 -8.469 1.575 -11.229 1.00 0.00 C ATOM 0 H THR A 23 -8.224 1.816 -7.575 1.00 0.00 H new ATOM 0 HA THR A 23 -6.424 2.378 -9.873 1.00 0.00 H new ATOM 0 HB THR A 23 -8.526 3.614 -10.616 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.471 2.423 -9.981 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.374 1.633 -11.834 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.598 1.742 -11.862 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.401 0.588 -10.772 1.00 0.00 H new ATOM 400 N PRO A 24 -6.622 5.002 -9.320 1.00 0.00 N ATOM 401 CA PRO A 24 -6.413 6.323 -8.734 1.00 0.00 C ATOM 402 C PRO A 24 -7.675 6.859 -8.060 1.00 0.00 C ATOM 403 O PRO A 24 -7.613 7.791 -7.261 1.00 0.00 O ATOM 404 CB PRO A 24 -5.996 7.193 -9.919 1.00 0.00 C ATOM 405 CG PRO A 24 -6.385 6.417 -11.133 1.00 0.00 C ATOM 406 CD PRO A 24 -6.273 4.971 -10.746 1.00 0.00 C ATOM 0 HA PRO A 24 -5.664 6.306 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.498 8.160 -9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.924 7.390 -9.905 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.401 6.661 -11.445 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -5.730 6.649 -11.972 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.955 4.343 -11.318 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.268 4.582 -10.911 1.00 0.00 H new ATOM 414 N GLU A 25 -8.820 6.250 -8.370 1.00 0.00 N ATOM 415 CA GLU A 25 -10.082 6.660 -7.768 1.00 0.00 C ATOM 416 C GLU A 25 -10.035 6.451 -6.257 1.00 0.00 C ATOM 417 O GLU A 25 -10.296 7.375 -5.486 1.00 0.00 O ATOM 418 CB GLU A 25 -11.244 5.867 -8.371 1.00 0.00 C ATOM 419 CG GLU A 25 -12.583 6.580 -8.274 1.00 0.00 C ATOM 420 CD GLU A 25 -13.518 6.222 -9.412 1.00 0.00 C ATOM 421 OE1 GLU A 25 -13.461 6.895 -10.463 1.00 0.00 O ATOM 422 OE2 GLU A 25 -14.309 5.268 -9.252 1.00 0.00 O ATOM 0 H GLU A 25 -8.896 5.476 -9.030 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.238 7.719 -7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.027 5.661 -9.419 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.317 4.904 -7.865 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.057 6.327 -7.326 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.417 7.657 -8.270 1.00 0.00 H new ATOM 429 N THR A 26 -9.685 5.234 -5.839 1.00 0.00 N ATOM 430 CA THR A 26 -9.587 4.915 -4.421 1.00 0.00 C ATOM 431 C THR A 26 -8.149 5.022 -3.946 1.00 0.00 C ATOM 432 O THR A 26 -7.214 4.733 -4.693 1.00 0.00 O ATOM 433 CB THR A 26 -10.117 3.517 -4.133 1.00 0.00 C ATOM 434 OG1 THR A 26 -9.588 2.575 -5.051 1.00 0.00 O ATOM 435 CG2 THR A 26 -11.625 3.429 -4.194 1.00 0.00 C ATOM 0 H THR A 26 -9.466 4.457 -6.463 1.00 0.00 H new ATOM 0 HA THR A 26 -10.198 5.637 -3.879 1.00 0.00 H new ATOM 0 HB THR A 26 -9.797 3.290 -3.116 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.941 1.684 -4.845 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.939 2.407 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 26 -12.059 4.104 -3.457 1.00 0.00 H new ATOM 0 HG23 THR A 26 -11.966 3.712 -5.190 1.00 0.00 H new ATOM 443 N ILE A 27 -7.972 5.436 -2.697 1.00 0.00 N ATOM 444 CA ILE A 27 -6.628 5.568 -2.140 1.00 0.00 C ATOM 445 C ILE A 27 -6.527 5.079 -0.694 1.00 0.00 C ATOM 446 O ILE A 27 -7.271 5.518 0.182 1.00 0.00 O ATOM 447 CB ILE A 27 -6.199 7.046 -2.176 1.00 0.00 C ATOM 448 CG1 ILE A 27 -7.013 7.879 -1.171 1.00 0.00 C ATOM 449 CG2 ILE A 27 -6.347 7.602 -3.584 1.00 0.00 C ATOM 450 CD1 ILE A 27 -8.499 7.577 -1.149 1.00 0.00 C ATOM 0 H ILE A 27 -8.728 5.683 -2.058 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.976 4.945 -2.752 1.00 0.00 H new ATOM 0 HB ILE A 27 -5.150 7.108 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.608 7.714 -0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.875 8.936 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.040 8.648 -3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.719 7.032 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.388 7.525 -3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -8.989 8.212 -0.411 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -8.924 7.771 -2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -8.654 6.530 -0.887 1.00 0.00 H new ATOM 462 N CYS A 28 -5.552 4.208 -0.450 1.00 0.00 N ATOM 463 CA CYS A 28 -5.262 3.671 0.879 1.00 0.00 C ATOM 464 C CYS A 28 -6.530 3.398 1.689 1.00 0.00 C ATOM 465 O CYS A 28 -6.487 3.308 2.920 1.00 0.00 O ATOM 466 CB CYS A 28 -4.334 4.604 1.635 1.00 0.00 C ATOM 467 SG CYS A 28 -3.125 3.754 2.676 1.00 0.00 S ATOM 0 H CYS A 28 -4.933 3.850 -1.177 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.765 2.711 0.737 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.804 5.232 0.919 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.932 5.268 2.259 1.00 0.00 H new ATOM 0 HG CYS A 28 -3.130 4.280 3.865 1.00 0.00 H new ATOM 473 N ARG A 29 -7.640 3.216 0.996 1.00 0.00 N ATOM 474 CA ARG A 29 -8.904 2.914 1.644 1.00 0.00 C ATOM 475 C ARG A 29 -8.955 1.426 1.858 1.00 0.00 C ATOM 476 O ARG A 29 -9.282 0.938 2.938 1.00 0.00 O ATOM 477 CB ARG A 29 -10.083 3.372 0.784 1.00 0.00 C ATOM 478 CG ARG A 29 -10.457 4.831 0.987 1.00 0.00 C ATOM 479 CD ARG A 29 -11.440 5.304 -0.071 1.00 0.00 C ATOM 480 NE ARG A 29 -11.980 6.627 0.233 1.00 0.00 N ATOM 481 CZ ARG A 29 -12.748 7.323 -0.602 1.00 0.00 C ATOM 482 NH1 ARG A 29 -13.067 6.826 -1.792 1.00 0.00 N ATOM 483 NH2 ARG A 29 -13.199 8.518 -0.249 1.00 0.00 N ATOM 0 H ARG A 29 -7.691 3.273 -0.021 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.976 3.443 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.839 3.211 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.949 2.749 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.895 4.962 1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -9.558 5.447 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.943 5.330 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.258 4.588 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.755 7.041 1.138 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.723 5.907 -2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -13.656 7.364 -2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.958 8.905 0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -13.787 9.051 -0.890 1.00 0.00 H new ATOM 497 N ASP A 30 -8.568 0.717 0.813 1.00 0.00 N ATOM 498 CA ASP A 30 -8.500 -0.730 0.863 1.00 0.00 C ATOM 499 C ASP A 30 -7.308 -1.136 1.723 1.00 0.00 C ATOM 500 O ASP A 30 -7.331 -2.167 2.396 1.00 0.00 O ATOM 501 CB ASP A 30 -8.363 -1.311 -0.546 1.00 0.00 C ATOM 502 CG ASP A 30 -9.704 -1.676 -1.155 1.00 0.00 C ATOM 503 OD1 ASP A 30 -9.988 -1.220 -2.282 1.00 0.00 O ATOM 504 OD2 ASP A 30 -10.470 -2.418 -0.503 1.00 0.00 O ATOM 0 H ASP A 30 -8.296 1.122 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.419 -1.123 1.299 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.861 -0.587 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.730 -2.198 -0.510 1.00 0.00 H new ATOM 509 N VAL A 31 -6.267 -0.298 1.701 1.00 0.00 N ATOM 510 CA VAL A 31 -5.063 -0.545 2.481 1.00 0.00 C ATOM 511 C VAL A 31 -5.369 -0.489 3.976 1.00 0.00 C ATOM 512 O VAL A 31 -5.056 -1.422 4.717 1.00 0.00 O ATOM 513 CB VAL A 31 -3.974 0.501 2.142 1.00 0.00 C ATOM 514 CG1 VAL A 31 -2.723 0.308 2.989 1.00 0.00 C ATOM 515 CG2 VAL A 31 -3.625 0.449 0.663 1.00 0.00 C ATOM 0 H VAL A 31 -6.240 0.558 1.148 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.698 -1.540 2.228 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.382 1.485 2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.982 1.062 2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.979 0.409 4.044 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.312 -0.685 2.809 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.858 1.192 0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.251 -0.544 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.515 0.662 0.071 1.00 0.00 H new ATOM 525 N VAL A 32 -5.992 0.603 4.416 1.00 0.00 N ATOM 526 CA VAL A 32 -6.339 0.756 5.825 1.00 0.00 C ATOM 527 C VAL A 32 -7.514 -0.138 6.216 1.00 0.00 C ATOM 528 O VAL A 32 -7.495 -0.776 7.268 1.00 0.00 O ATOM 529 CB VAL A 32 -6.668 2.219 6.175 1.00 0.00 C ATOM 530 CG1 VAL A 32 -7.075 2.336 7.637 1.00 0.00 C ATOM 531 CG2 VAL A 32 -5.473 3.112 5.875 1.00 0.00 C ATOM 0 H VAL A 32 -6.264 1.387 3.823 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.461 0.450 6.393 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.506 2.547 5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.304 3.376 7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.956 1.721 7.820 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.256 1.995 8.271 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.718 4.144 6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.618 2.787 6.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.226 3.046 4.815 1.00 0.00 H new ATOM 541 N ASP A 33 -8.539 -0.168 5.372 1.00 0.00 N ATOM 542 CA ASP A 33 -9.728 -0.970 5.641 1.00 0.00 C ATOM 543 C ASP A 33 -9.383 -2.438 5.872 1.00 0.00 C ATOM 544 O ASP A 33 -9.966 -3.089 6.739 1.00 0.00 O ATOM 545 CB ASP A 33 -10.724 -0.853 4.487 1.00 0.00 C ATOM 546 CG ASP A 33 -11.463 0.471 4.491 1.00 0.00 C ATOM 547 OD1 ASP A 33 -11.761 0.988 3.393 1.00 0.00 O ATOM 548 OD2 ASP A 33 -11.745 0.991 5.591 1.00 0.00 O ATOM 0 H ASP A 33 -8.571 0.353 4.496 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.179 -0.581 6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.195 -0.967 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.445 -1.668 4.549 1.00 0.00 H new ATOM 553 N LEU A 34 -8.449 -2.967 5.085 1.00 0.00 N ATOM 554 CA LEU A 34 -8.062 -4.368 5.212 1.00 0.00 C ATOM 555 C LEU A 34 -7.012 -4.579 6.302 1.00 0.00 C ATOM 556 O LEU A 34 -7.019 -5.605 6.982 1.00 0.00 O ATOM 557 CB LEU A 34 -7.544 -4.900 3.877 1.00 0.00 C ATOM 558 CG LEU A 34 -8.630 -5.348 2.898 1.00 0.00 C ATOM 559 CD1 LEU A 34 -8.009 -5.885 1.617 1.00 0.00 C ATOM 560 CD2 LEU A 34 -9.523 -6.400 3.541 1.00 0.00 C ATOM 0 H LEU A 34 -7.951 -2.452 4.359 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.954 -4.923 5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.944 -4.124 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.880 -5.742 4.071 1.00 0.00 H new ATOM 0 HG LEU A 34 -9.242 -4.483 2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.798 -6.198 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.411 -5.104 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.372 -6.738 1.851 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -10.291 -6.708 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.922 -7.264 3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.997 -5.982 4.429 1.00 0.00 H new ATOM 572 N CYS A 35 -6.105 -3.620 6.467 1.00 0.00 N ATOM 573 CA CYS A 35 -5.060 -3.742 7.478 1.00 0.00 C ATOM 574 C CYS A 35 -5.404 -2.963 8.737 1.00 0.00 C ATOM 575 O CYS A 35 -4.526 -2.438 9.419 1.00 0.00 O ATOM 576 CB CYS A 35 -3.716 -3.274 6.923 1.00 0.00 C ATOM 577 SG CYS A 35 -2.912 -4.473 5.836 1.00 0.00 S ATOM 0 H CYS A 35 -6.072 -2.759 5.920 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.987 -4.796 7.744 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.865 -2.344 6.374 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.049 -3.049 7.755 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.665 -5.526 5.719 1.00 0.00 H new ATOM 583 N LYS A 36 -6.686 -2.911 9.043 1.00 0.00 N ATOM 584 CA LYS A 36 -7.161 -2.211 10.229 1.00 0.00 C ATOM 585 C LYS A 36 -7.364 -3.184 11.386 1.00 0.00 C ATOM 586 O LYS A 36 -8.032 -4.208 11.241 1.00 0.00 O ATOM 587 CB LYS A 36 -8.467 -1.472 9.928 1.00 0.00 C ATOM 588 CG LYS A 36 -8.375 0.030 10.142 1.00 0.00 C ATOM 589 CD LYS A 36 -9.728 0.623 10.501 1.00 0.00 C ATOM 590 CE LYS A 36 -10.744 0.403 9.391 1.00 0.00 C ATOM 591 NZ LYS A 36 -11.213 1.689 8.806 1.00 0.00 N ATOM 0 H LYS A 36 -7.422 -3.346 8.487 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.404 -1.482 10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.756 -1.667 8.895 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.257 -1.874 10.562 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.660 0.243 10.937 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.996 0.505 9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.092 0.171 11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.620 1.691 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.299 -0.211 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.597 -0.150 9.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.527 1.531 7.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.006 2.058 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.434 2.378 8.813 1.00 0.00 H new ATOM 679 N CYS A 43 -4.221 6.159 11.404 1.00 0.00 N ATOM 680 CA CYS A 43 -3.138 5.282 10.974 1.00 0.00 C ATOM 681 C CYS A 43 -2.725 5.588 9.537 1.00 0.00 C ATOM 682 O CYS A 43 -3.560 5.930 8.700 1.00 0.00 O ATOM 683 CB CYS A 43 -3.563 3.817 11.093 1.00 0.00 C ATOM 684 SG CYS A 43 -4.164 3.354 12.735 1.00 0.00 S ATOM 0 HA CYS A 43 -2.281 5.460 11.624 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -4.346 3.616 10.361 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.715 3.182 10.836 1.00 0.00 H new ATOM 0 HG CYS A 43 -4.501 2.099 12.736 1.00 0.00 H new ATOM 690 N HIS A 44 -1.431 5.461 9.260 1.00 0.00 N ATOM 691 CA HIS A 44 -0.904 5.722 7.925 1.00 0.00 C ATOM 692 C HIS A 44 -0.290 4.458 7.331 1.00 0.00 C ATOM 693 O HIS A 44 0.089 3.539 8.057 1.00 0.00 O ATOM 694 CB HIS A 44 0.135 6.853 7.971 1.00 0.00 C ATOM 695 CG HIS A 44 1.555 6.380 8.089 1.00 0.00 C ATOM 696 ND1 HIS A 44 2.273 5.880 7.021 1.00 0.00 N ATOM 697 CD2 HIS A 44 2.386 6.328 9.156 1.00 0.00 C ATOM 698 CE1 HIS A 44 3.483 5.541 7.430 1.00 0.00 C ATOM 699 NE2 HIS A 44 3.578 5.803 8.721 1.00 0.00 N ATOM 0 H HIS A 44 -0.728 5.179 9.943 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.730 6.034 7.285 1.00 0.00 H new ATOM 0 HB2 HIS A 44 0.039 7.456 7.068 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.091 7.504 8.815 1.00 0.00 H new ATOM 0 HD1 HIS A 44 1.925 5.787 6.067 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.154 6.641 10.163 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.263 5.120 6.813 1.00 0.00 H new ATOM 708 N LEU A 45 -0.185 4.423 6.007 1.00 0.00 N ATOM 709 CA LEU A 45 0.392 3.280 5.320 1.00 0.00 C ATOM 710 C LEU A 45 1.849 3.562 4.972 1.00 0.00 C ATOM 711 O LEU A 45 2.222 4.706 4.742 1.00 0.00 O ATOM 712 CB LEU A 45 -0.410 2.951 4.059 1.00 0.00 C ATOM 713 CG LEU A 45 0.266 1.976 3.096 1.00 0.00 C ATOM 714 CD1 LEU A 45 0.147 0.556 3.620 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.336 2.092 1.703 1.00 0.00 C ATOM 0 H LEU A 45 -0.493 5.175 5.390 1.00 0.00 H new ATOM 0 HA LEU A 45 0.352 2.415 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.372 2.534 4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.616 3.879 3.526 1.00 0.00 H new ATOM 0 HG LEU A 45 1.323 2.231 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.632 -0.130 2.926 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.629 0.486 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.906 0.291 3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.159 1.389 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.401 1.863 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.198 3.107 1.331 1.00 0.00 H new ATOM 727 N ALA A 46 2.675 2.525 4.948 1.00 0.00 N ATOM 728 CA ALA A 46 4.092 2.689 4.637 1.00 0.00 C ATOM 729 C ALA A 46 4.471 1.968 3.344 1.00 0.00 C ATOM 730 O ALA A 46 3.839 0.978 2.964 1.00 0.00 O ATOM 731 CB ALA A 46 4.943 2.184 5.791 1.00 0.00 C ATOM 0 H ALA A 46 2.392 1.564 5.139 1.00 0.00 H new ATOM 0 HA ALA A 46 4.281 3.752 4.491 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.998 2.311 5.548 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.707 2.750 6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.735 1.128 5.962 1.00 0.00 H new ATOM 737 N GLU A 47 5.518 2.464 2.677 1.00 0.00 N ATOM 738 CA GLU A 47 5.995 1.853 1.438 1.00 0.00 C ATOM 739 C GLU A 47 7.499 1.594 1.522 1.00 0.00 C ATOM 740 O GLU A 47 8.299 2.528 1.527 1.00 0.00 O ATOM 741 CB GLU A 47 5.697 2.753 0.237 1.00 0.00 C ATOM 742 CG GLU A 47 5.735 4.244 0.536 1.00 0.00 C ATOM 743 CD GLU A 47 4.800 5.044 -0.350 1.00 0.00 C ATOM 744 OE1 GLU A 47 3.949 4.427 -1.025 1.00 0.00 O ATOM 745 OE2 GLU A 47 4.916 6.287 -0.368 1.00 0.00 O ATOM 0 H GLU A 47 6.048 3.283 2.975 1.00 0.00 H new ATOM 0 HA GLU A 47 5.471 0.906 1.305 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.418 2.536 -0.551 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.712 2.500 -0.154 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.468 4.408 1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.753 4.610 0.406 1.00 0.00 H new ATOM 752 N VAL A 48 7.873 0.318 1.575 1.00 0.00 N ATOM 753 CA VAL A 48 9.282 -0.072 1.644 1.00 0.00 C ATOM 754 C VAL A 48 9.655 -1.024 0.520 1.00 0.00 C ATOM 755 O VAL A 48 9.006 -2.056 0.339 1.00 0.00 O ATOM 756 CB VAL A 48 9.652 -0.714 2.997 1.00 0.00 C ATOM 757 CG1 VAL A 48 11.165 -0.785 3.152 1.00 0.00 C ATOM 758 CG2 VAL A 48 9.023 0.060 4.149 1.00 0.00 C ATOM 0 H VAL A 48 7.220 -0.466 1.572 1.00 0.00 H new ATOM 0 HA VAL A 48 9.850 0.852 1.537 1.00 0.00 H new ATOM 0 HB VAL A 48 9.257 -1.730 3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.412 -1.240 4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.585 -1.387 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 48 11.583 0.221 3.110 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.296 -0.409 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.384 1.088 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.938 0.055 4.041 1.00 0.00 H new ATOM 768 N TRP A 49 10.704 -0.703 -0.223 1.00 0.00 N ATOM 769 CA TRP A 49 11.137 -1.579 -1.299 1.00 0.00 C ATOM 770 C TRP A 49 12.656 -1.564 -1.466 1.00 0.00 C ATOM 771 O TRP A 49 13.264 -0.506 -1.620 1.00 0.00 O ATOM 772 CB TRP A 49 10.417 -1.207 -2.597 1.00 0.00 C ATOM 773 CG TRP A 49 11.302 -0.746 -3.698 1.00 0.00 C ATOM 774 CD1 TRP A 49 12.004 -1.504 -4.582 1.00 0.00 C ATOM 775 CD2 TRP A 49 11.563 0.600 -4.017 1.00 0.00 C ATOM 776 NE1 TRP A 49 12.690 -0.691 -5.450 1.00 0.00 N ATOM 777 CE2 TRP A 49 12.437 0.618 -5.113 1.00 0.00 C ATOM 778 CE3 TRP A 49 11.129 1.789 -3.464 1.00 0.00 C ATOM 779 CZ2 TRP A 49 12.892 1.808 -5.674 1.00 0.00 C ATOM 780 CZ3 TRP A 49 11.574 2.977 -4.012 1.00 0.00 C ATOM 781 CH2 TRP A 49 12.451 2.980 -5.109 1.00 0.00 C ATOM 0 H TRP A 49 11.262 0.142 -0.104 1.00 0.00 H new ATOM 0 HA TRP A 49 10.867 -2.603 -1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.854 -2.074 -2.943 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.693 -0.422 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP A 49 12.020 -2.584 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 49 13.287 -1.005 -6.216 1.00 0.00 H new ATOM 0 HE3 TRP A 49 10.455 1.790 -2.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 13.564 1.810 -6.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 11.243 3.915 -3.591 1.00 0.00 H new ATOM 0 HH2 TRP A 49 12.785 3.923 -5.517 1.00 0.00 H new ATOM 792 N CYS A 50 13.260 -2.751 -1.443 1.00 0.00 N ATOM 793 CA CYS A 50 14.706 -2.884 -1.599 1.00 0.00 C ATOM 794 C CYS A 50 15.455 -1.909 -0.693 1.00 0.00 C ATOM 795 O CYS A 50 16.450 -1.310 -1.098 1.00 0.00 O ATOM 796 CB CYS A 50 15.103 -2.650 -3.058 1.00 0.00 C ATOM 797 SG CYS A 50 14.986 -4.122 -4.101 1.00 0.00 S ATOM 0 H CYS A 50 12.768 -3.636 -1.317 1.00 0.00 H new ATOM 0 HA CYS A 50 14.982 -3.898 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 50 14.466 -1.870 -3.476 1.00 0.00 H new ATOM 0 HB3 CYS A 50 16.126 -2.276 -3.089 1.00 0.00 H new ATOM 0 HG CYS A 50 15.340 -3.822 -5.316 1.00 0.00 H new ATOM 803 N GLY A 51 14.966 -1.755 0.533 1.00 0.00 N ATOM 804 CA GLY A 51 15.601 -0.850 1.473 1.00 0.00 C ATOM 805 C GLY A 51 15.055 0.563 1.386 1.00 0.00 C ATOM 806 O GLY A 51 15.316 1.389 2.261 1.00 0.00 O ATOM 0 H GLY A 51 14.143 -2.239 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.461 -1.228 2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 51 16.675 -0.832 1.285 1.00 0.00 H new ATOM 810 N SER A 52 14.293 0.844 0.332 1.00 0.00 N ATOM 811 CA SER A 52 13.711 2.167 0.144 1.00 0.00 C ATOM 812 C SER A 52 12.391 2.281 0.892 1.00 0.00 C ATOM 813 O SER A 52 11.345 1.883 0.382 1.00 0.00 O ATOM 814 CB SER A 52 13.485 2.444 -1.343 1.00 0.00 C ATOM 815 OG SER A 52 14.344 1.655 -2.148 1.00 0.00 O ATOM 0 H SER A 52 14.065 0.174 -0.403 1.00 0.00 H new ATOM 0 HA SER A 52 14.408 2.904 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 52 12.447 2.235 -1.601 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.658 3.500 -1.549 1.00 0.00 H new ATOM 0 HG SER A 52 13.964 0.757 -2.249 1.00 0.00 H new ATOM 821 N GLU A 53 12.444 2.827 2.100 1.00 0.00 N ATOM 822 CA GLU A 53 11.247 2.991 2.913 1.00 0.00 C ATOM 823 C GLU A 53 10.775 4.442 2.892 1.00 0.00 C ATOM 824 O GLU A 53 11.575 5.367 3.033 1.00 0.00 O ATOM 825 CB GLU A 53 11.516 2.551 4.353 1.00 0.00 C ATOM 826 CG GLU A 53 12.795 3.129 4.936 1.00 0.00 C ATOM 827 CD GLU A 53 12.804 3.111 6.453 1.00 0.00 C ATOM 828 OE1 GLU A 53 12.592 2.026 7.034 1.00 0.00 O ATOM 829 OE2 GLU A 53 13.025 4.180 7.058 1.00 0.00 O ATOM 0 H GLU A 53 13.302 3.163 2.538 1.00 0.00 H new ATOM 0 HA GLU A 53 10.462 2.363 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.674 2.849 4.978 1.00 0.00 H new ATOM 0 HB3 GLU A 53 11.570 1.463 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.648 2.562 4.564 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.918 4.154 4.588 1.00 0.00 H new ATOM 836 N ARG A 54 9.474 4.635 2.710 1.00 0.00 N ATOM 837 CA ARG A 54 8.898 5.974 2.666 1.00 0.00 C ATOM 838 C ARG A 54 7.485 5.976 3.249 1.00 0.00 C ATOM 839 O ARG A 54 6.711 5.054 3.008 1.00 0.00 O ATOM 840 CB ARG A 54 8.873 6.483 1.223 1.00 0.00 C ATOM 841 CG ARG A 54 8.320 7.892 1.075 1.00 0.00 C ATOM 842 CD ARG A 54 9.430 8.930 1.122 1.00 0.00 C ATOM 843 NE ARG A 54 8.909 10.286 1.279 1.00 0.00 N ATOM 844 CZ ARG A 54 9.582 11.384 0.939 1.00 0.00 C ATOM 845 NH1 ARG A 54 10.802 11.290 0.423 1.00 0.00 N ATOM 846 NH2 ARG A 54 9.035 12.578 1.117 1.00 0.00 N ATOM 0 H ARG A 54 8.798 3.881 2.590 1.00 0.00 H new ATOM 0 HA ARG A 54 9.518 6.637 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.886 6.457 0.822 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.273 5.803 0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.781 7.976 0.131 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.602 8.088 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.103 8.703 1.949 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.019 8.872 0.206 1.00 0.00 H new ATOM 0 HE ARG A 54 7.975 10.398 1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.228 10.374 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.313 12.134 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.099 12.656 1.514 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.550 13.419 0.857 1.00 0.00 H new ATOM 860 N PRO A 55 7.128 7.012 4.029 1.00 0.00 N ATOM 861 CA PRO A 55 5.797 7.114 4.639 1.00 0.00 C ATOM 862 C PRO A 55 4.709 7.416 3.611 1.00 0.00 C ATOM 863 O PRO A 55 4.818 8.369 2.840 1.00 0.00 O ATOM 864 CB PRO A 55 5.945 8.282 5.617 1.00 0.00 C ATOM 865 CG PRO A 55 7.036 9.117 5.043 1.00 0.00 C ATOM 866 CD PRO A 55 7.989 8.158 4.384 1.00 0.00 C ATOM 0 HA PRO A 55 5.492 6.180 5.110 1.00 0.00 H new ATOM 0 HB2 PRO A 55 5.017 8.847 5.703 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.199 7.932 6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.641 9.832 4.322 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.537 9.693 5.821 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.457 8.598 3.503 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.793 7.863 5.058 1.00 0.00 H new ATOM 874 N VAL A 56 3.658 6.599 3.607 1.00 0.00 N ATOM 875 CA VAL A 56 2.548 6.782 2.675 1.00 0.00 C ATOM 876 C VAL A 56 1.264 7.187 3.409 1.00 0.00 C ATOM 877 O VAL A 56 0.838 6.536 4.370 1.00 0.00 O ATOM 878 CB VAL A 56 2.276 5.517 1.801 1.00 0.00 C ATOM 879 CG1 VAL A 56 3.125 4.315 2.224 1.00 0.00 C ATOM 880 CG2 VAL A 56 0.794 5.154 1.819 1.00 0.00 C ATOM 0 H VAL A 56 3.552 5.805 4.238 1.00 0.00 H new ATOM 0 HA VAL A 56 2.850 7.588 2.006 1.00 0.00 H new ATOM 0 HB VAL A 56 2.567 5.773 0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.895 3.464 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.182 4.565 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.903 4.059 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.628 4.270 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.483 4.947 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.211 5.986 1.424 1.00 0.00 H new ATOM 890 N ALA A 57 0.648 8.261 2.932 1.00 0.00 N ATOM 891 CA ALA A 57 -0.589 8.763 3.515 1.00 0.00 C ATOM 892 C ALA A 57 -1.781 7.938 3.047 1.00 0.00 C ATOM 893 O ALA A 57 -1.728 7.302 1.995 1.00 0.00 O ATOM 894 CB ALA A 57 -0.780 10.219 3.137 1.00 0.00 C ATOM 0 H ALA A 57 0.988 8.804 2.138 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.522 8.679 4.600 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.706 10.590 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.059 10.805 3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.830 10.310 2.052 1.00 0.00 H new ATOM 900 N ASP A 58 -2.857 7.944 3.829 1.00 0.00 N ATOM 901 CA ASP A 58 -4.044 7.182 3.469 1.00 0.00 C ATOM 902 C ASP A 58 -4.694 7.727 2.200 1.00 0.00 C ATOM 903 O ASP A 58 -5.563 7.082 1.615 1.00 0.00 O ATOM 904 CB ASP A 58 -5.072 7.174 4.599 1.00 0.00 C ATOM 905 CG ASP A 58 -4.454 6.880 5.953 1.00 0.00 C ATOM 906 OD1 ASP A 58 -5.001 6.027 6.681 1.00 0.00 O ATOM 907 OD2 ASP A 58 -3.424 7.505 6.285 1.00 0.00 O ATOM 0 H ASP A 58 -2.930 8.462 4.705 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.713 6.160 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.573 8.141 4.635 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.836 6.427 4.384 1.00 0.00 H new ATOM 912 N ASN A 59 -4.283 8.916 1.778 1.00 0.00 N ATOM 913 CA ASN A 59 -4.849 9.522 0.582 1.00 0.00 C ATOM 914 C ASN A 59 -4.011 9.203 -0.658 1.00 0.00 C ATOM 915 O ASN A 59 -4.230 9.775 -1.725 1.00 0.00 O ATOM 916 CB ASN A 59 -4.968 11.036 0.756 1.00 0.00 C ATOM 917 CG ASN A 59 -6.282 11.441 1.397 1.00 0.00 C ATOM 918 OD1 ASN A 59 -6.595 11.027 2.512 1.00 0.00 O ATOM 919 ND2 ASN A 59 -7.058 12.255 0.691 1.00 0.00 N ATOM 0 H ASN A 59 -3.567 9.475 2.242 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.843 9.099 0.437 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.141 11.395 1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.877 11.519 -0.217 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -7.954 12.562 1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.758 12.574 -0.230 1.00 0.00 H new ATOM 926 N GLU A 60 -3.057 8.286 -0.515 1.00 0.00 N ATOM 927 CA GLU A 60 -2.200 7.896 -1.628 1.00 0.00 C ATOM 928 C GLU A 60 -2.912 6.888 -2.526 1.00 0.00 C ATOM 929 O GLU A 60 -3.458 5.895 -2.042 1.00 0.00 O ATOM 930 CB GLU A 60 -0.894 7.297 -1.103 1.00 0.00 C ATOM 931 CG GLU A 60 0.268 8.279 -1.080 1.00 0.00 C ATOM 932 CD GLU A 60 0.480 8.969 -2.415 1.00 0.00 C ATOM 933 OE1 GLU A 60 -0.175 10.003 -2.660 1.00 0.00 O ATOM 934 OE2 GLU A 60 1.306 8.478 -3.213 1.00 0.00 O ATOM 0 H GLU A 60 -2.859 7.801 0.360 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.973 8.785 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.058 6.920 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.623 6.442 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.087 9.031 -0.312 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.179 7.750 -0.800 1.00 0.00 H new ATOM 941 N ARG A 61 -2.899 7.137 -3.833 1.00 0.00 N ATOM 942 CA ARG A 61 -3.550 6.232 -4.780 1.00 0.00 C ATOM 943 C ARG A 61 -2.565 5.175 -5.242 1.00 0.00 C ATOM 944 O ARG A 61 -1.371 5.443 -5.363 1.00 0.00 O ATOM 945 CB ARG A 61 -4.140 6.969 -5.999 1.00 0.00 C ATOM 946 CG ARG A 61 -4.043 8.487 -5.948 1.00 0.00 C ATOM 947 CD ARG A 61 -5.358 9.146 -6.332 1.00 0.00 C ATOM 948 NE ARG A 61 -5.397 10.554 -5.943 1.00 0.00 N ATOM 949 CZ ARG A 61 -6.344 11.404 -6.331 1.00 0.00 C ATOM 950 NH1 ARG A 61 -7.329 10.997 -7.122 1.00 0.00 N ATOM 951 NH2 ARG A 61 -6.305 12.668 -5.929 1.00 0.00 N ATOM 0 H ARG A 61 -2.450 7.948 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.383 5.764 -4.256 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.631 6.618 -6.897 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.189 6.691 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.758 8.800 -4.944 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.256 8.825 -6.622 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.505 9.063 -7.409 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.182 8.615 -5.856 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.655 10.906 -5.338 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.363 10.027 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.052 11.654 -7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.549 12.987 -5.323 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.031 13.320 -6.226 1.00 0.00 H new ATOM 965 N MET A 62 -3.072 3.973 -5.499 1.00 0.00 N ATOM 966 CA MET A 62 -2.232 2.859 -5.940 1.00 0.00 C ATOM 967 C MET A 62 -1.037 3.356 -6.746 1.00 0.00 C ATOM 968 O MET A 62 0.056 3.551 -6.210 1.00 0.00 O ATOM 969 CB MET A 62 -3.050 1.862 -6.766 1.00 0.00 C ATOM 970 CG MET A 62 -2.213 0.805 -7.471 1.00 0.00 C ATOM 971 SD MET A 62 -1.143 -0.104 -6.341 1.00 0.00 S ATOM 972 CE MET A 62 -0.231 -1.131 -7.491 1.00 0.00 C ATOM 0 H MET A 62 -4.062 3.743 -5.410 1.00 0.00 H new ATOM 0 HA MET A 62 -1.856 2.353 -5.051 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.766 1.366 -6.111 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.626 2.410 -7.511 1.00 0.00 H new ATOM 0 HG2 MET A 62 -2.874 0.105 -7.981 1.00 0.00 H new ATOM 0 HG3 MET A 62 -1.603 1.283 -8.237 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.696 -1.464 -7.025 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.833 -1.998 -7.761 1.00 0.00 H new ATOM 0 HE3 MET A 62 -0.000 -0.556 -8.388 1.00 0.00 H new ATOM 982 N PHE A 63 -1.258 3.583 -8.028 1.00 0.00 N ATOM 983 CA PHE A 63 -0.193 4.069 -8.902 1.00 0.00 C ATOM 984 C PHE A 63 0.473 5.301 -8.314 1.00 0.00 C ATOM 985 O PHE A 63 1.683 5.486 -8.443 1.00 0.00 O ATOM 986 CB PHE A 63 -0.729 4.417 -10.288 1.00 0.00 C ATOM 987 CG PHE A 63 -1.678 3.405 -10.839 1.00 0.00 C ATOM 988 CD1 PHE A 63 -3.034 3.539 -10.630 1.00 0.00 C ATOM 989 CD2 PHE A 63 -1.213 2.323 -11.565 1.00 0.00 C ATOM 990 CE1 PHE A 63 -3.919 2.607 -11.137 1.00 0.00 C ATOM 991 CE2 PHE A 63 -2.090 1.387 -12.074 1.00 0.00 C ATOM 992 CZ PHE A 63 -3.447 1.529 -11.860 1.00 0.00 C ATOM 0 H PHE A 63 -2.157 3.442 -8.489 1.00 0.00 H new ATOM 0 HA PHE A 63 0.538 3.265 -8.990 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.230 5.384 -10.241 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.110 4.526 -10.975 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.408 4.380 -10.065 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.153 2.210 -11.735 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.980 2.721 -10.968 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.716 0.545 -12.638 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.137 0.799 -12.257 1.00 0.00 H new ATOM 1002 N ASP A 64 -0.327 6.142 -7.664 1.00 0.00 N ATOM 1003 CA ASP A 64 0.180 7.368 -7.071 1.00 0.00 C ATOM 1004 C ASP A 64 1.469 7.111 -6.310 1.00 0.00 C ATOM 1005 O ASP A 64 2.462 7.818 -6.485 1.00 0.00 O ATOM 1006 CB ASP A 64 -0.860 7.984 -6.138 1.00 0.00 C ATOM 1007 CG ASP A 64 -0.937 9.492 -6.274 1.00 0.00 C ATOM 1008 OD1 ASP A 64 -0.495 10.195 -5.342 1.00 0.00 O ATOM 1009 OD2 ASP A 64 -1.441 9.969 -7.312 1.00 0.00 O ATOM 0 H ASP A 64 -1.328 5.994 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 64 0.388 8.068 -7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.838 7.552 -6.352 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.617 7.727 -5.107 1.00 0.00 H new ATOM 1014 N VAL A 65 1.451 6.081 -5.480 1.00 0.00 N ATOM 1015 CA VAL A 65 2.623 5.713 -4.706 1.00 0.00 C ATOM 1016 C VAL A 65 3.600 4.932 -5.564 1.00 0.00 C ATOM 1017 O VAL A 65 4.811 4.977 -5.355 1.00 0.00 O ATOM 1018 CB VAL A 65 2.247 4.866 -3.486 1.00 0.00 C ATOM 1019 CG1 VAL A 65 1.603 5.733 -2.417 1.00 0.00 C ATOM 1020 CG2 VAL A 65 1.326 3.724 -3.881 1.00 0.00 C ATOM 0 H VAL A 65 0.637 5.486 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 65 3.087 6.638 -4.363 1.00 0.00 H new ATOM 0 HB VAL A 65 3.160 4.434 -3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.342 5.116 -1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.303 6.509 -2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.702 6.196 -2.818 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.074 3.138 -2.997 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.414 4.128 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.828 3.086 -4.608 1.00 0.00 H new ATOM 1030 N LEU A 66 3.049 4.215 -6.529 1.00 0.00 N ATOM 1031 CA LEU A 66 3.832 3.399 -7.441 1.00 0.00 C ATOM 1032 C LEU A 66 4.698 4.258 -8.360 1.00 0.00 C ATOM 1033 O LEU A 66 5.606 3.754 -9.021 1.00 0.00 O ATOM 1034 CB LEU A 66 2.890 2.517 -8.259 1.00 0.00 C ATOM 1035 CG LEU A 66 2.854 1.049 -7.836 1.00 0.00 C ATOM 1036 CD1 LEU A 66 2.127 0.896 -6.509 1.00 0.00 C ATOM 1037 CD2 LEU A 66 2.187 0.204 -8.912 1.00 0.00 C ATOM 0 H LEU A 66 2.044 4.182 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 66 4.506 2.772 -6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.882 2.925 -8.189 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.184 2.571 -9.307 1.00 0.00 H new ATOM 0 HG LEU A 66 3.878 0.699 -7.708 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.110 -0.156 -6.222 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.644 1.473 -5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.105 1.261 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.169 -0.839 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.167 0.554 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.747 0.292 -9.843 1.00 0.00 H new ATOM 1049 N GLN A 67 4.412 5.557 -8.400 1.00 0.00 N ATOM 1050 CA GLN A 67 5.168 6.478 -9.241 1.00 0.00 C ATOM 1051 C GLN A 67 6.379 7.048 -8.501 1.00 0.00 C ATOM 1052 O GLN A 67 7.307 7.563 -9.124 1.00 0.00 O ATOM 1053 CB GLN A 67 4.266 7.619 -9.716 1.00 0.00 C ATOM 1054 CG GLN A 67 4.969 8.614 -10.627 1.00 0.00 C ATOM 1055 CD GLN A 67 5.016 10.013 -10.041 1.00 0.00 C ATOM 1056 OE1 GLN A 67 6.059 10.666 -10.046 1.00 0.00 O ATOM 1057 NE2 GLN A 67 3.880 10.480 -9.534 1.00 0.00 N ATOM 0 H GLN A 67 3.664 5.994 -7.861 1.00 0.00 H new ATOM 0 HA GLN A 67 5.531 5.918 -10.103 1.00 0.00 H new ATOM 0 HB2 GLN A 67 3.410 7.198 -10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.876 8.148 -8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 67 5.986 8.270 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.457 8.644 -11.589 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.039 9.903 -9.551 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.849 11.415 -9.128 1.00 0.00 H new ATOM 1066 N ARG A 68 6.366 6.965 -7.171 1.00 0.00 N ATOM 1067 CA ARG A 68 7.466 7.487 -6.370 1.00 0.00 C ATOM 1068 C ARG A 68 8.593 6.465 -6.223 1.00 0.00 C ATOM 1069 O ARG A 68 9.760 6.834 -6.100 1.00 0.00 O ATOM 1070 CB ARG A 68 6.962 7.917 -4.991 1.00 0.00 C ATOM 1071 CG ARG A 68 6.481 6.765 -4.122 1.00 0.00 C ATOM 1072 CD ARG A 68 6.902 6.946 -2.672 1.00 0.00 C ATOM 1073 NE ARG A 68 7.518 5.738 -2.124 1.00 0.00 N ATOM 1074 CZ ARG A 68 8.794 5.408 -2.304 1.00 0.00 C ATOM 1075 NH1 ARG A 68 9.594 6.185 -3.025 1.00 0.00 N ATOM 1076 NH2 ARG A 68 9.273 4.297 -1.762 1.00 0.00 N ATOM 0 H ARG A 68 5.610 6.544 -6.631 1.00 0.00 H new ATOM 0 HA ARG A 68 7.870 8.355 -6.891 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.763 8.442 -4.470 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.146 8.628 -5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 68 5.395 6.693 -4.180 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.884 5.827 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.605 7.776 -2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.032 7.213 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 68 6.934 5.111 -1.571 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.231 7.041 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 68 10.571 5.926 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.663 3.696 -1.208 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.251 4.043 -1.900 1.00 0.00 H new ATOM 1090 N PHE A 69 8.244 5.181 -6.244 1.00 0.00 N ATOM 1091 CA PHE A 69 9.246 4.125 -6.118 1.00 0.00 C ATOM 1092 C PHE A 69 10.241 4.197 -7.271 1.00 0.00 C ATOM 1093 O PHE A 69 11.401 4.560 -7.084 1.00 0.00 O ATOM 1094 CB PHE A 69 8.583 2.744 -6.094 1.00 0.00 C ATOM 1095 CG PHE A 69 7.658 2.526 -4.929 1.00 0.00 C ATOM 1096 CD1 PHE A 69 6.313 2.815 -5.042 1.00 0.00 C ATOM 1097 CD2 PHE A 69 8.133 2.023 -3.727 1.00 0.00 C ATOM 1098 CE1 PHE A 69 5.454 2.609 -3.982 1.00 0.00 C ATOM 1099 CE2 PHE A 69 7.283 1.814 -2.658 1.00 0.00 C ATOM 1100 CZ PHE A 69 5.937 2.109 -2.789 1.00 0.00 C ATOM 0 H PHE A 69 7.285 4.848 -6.346 1.00 0.00 H new ATOM 0 HA PHE A 69 9.776 4.275 -5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.023 2.606 -7.019 1.00 0.00 H new ATOM 0 HB3 PHE A 69 9.360 1.980 -6.075 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.928 3.207 -5.972 1.00 0.00 H new ATOM 0 HD2 PHE A 69 9.183 1.791 -3.625 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.404 2.839 -4.085 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.666 1.423 -1.727 1.00 0.00 H new ATOM 0 HZ PHE A 69 5.265 1.948 -1.959 1.00 0.00 H new ATOM 1110 N GLY A 70 9.774 3.852 -8.465 1.00 0.00 N ATOM 1111 CA GLY A 70 10.629 3.884 -9.637 1.00 0.00 C ATOM 1112 C GLY A 70 10.114 2.994 -10.749 1.00 0.00 C ATOM 1113 O GLY A 70 8.928 3.022 -11.078 1.00 0.00 O ATOM 0 H GLY A 70 8.816 3.550 -8.643 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.705 4.909 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.635 3.569 -9.359 1.00 0.00 H new ATOM 1117 N SER A 71 11.006 2.198 -11.330 1.00 0.00 N ATOM 1118 CA SER A 71 10.632 1.294 -12.409 1.00 0.00 C ATOM 1119 C SER A 71 10.441 -0.124 -11.881 1.00 0.00 C ATOM 1120 O SER A 71 10.701 -1.100 -12.583 1.00 0.00 O ATOM 1121 CB SER A 71 11.697 1.304 -13.507 1.00 0.00 C ATOM 1122 OG SER A 71 12.868 0.622 -13.091 1.00 0.00 O ATOM 0 H SER A 71 11.992 2.161 -11.071 1.00 0.00 H new ATOM 0 HA SER A 71 9.688 1.639 -12.830 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.300 0.834 -14.407 1.00 0.00 H new ATOM 0 HB3 SER A 71 11.945 2.333 -13.767 1.00 0.00 H new ATOM 0 HG SER A 71 13.532 0.642 -13.812 1.00 0.00 H new ATOM 1128 N GLN A 72 9.988 -0.227 -10.635 1.00 0.00 N ATOM 1129 CA GLN A 72 9.763 -1.523 -10.007 1.00 0.00 C ATOM 1130 C GLN A 72 8.585 -1.462 -9.039 1.00 0.00 C ATOM 1131 O GLN A 72 8.769 -1.357 -7.826 1.00 0.00 O ATOM 1132 CB GLN A 72 11.025 -1.978 -9.268 1.00 0.00 C ATOM 1133 CG GLN A 72 11.761 -3.110 -9.966 1.00 0.00 C ATOM 1134 CD GLN A 72 13.229 -2.804 -10.188 1.00 0.00 C ATOM 1135 OE1 GLN A 72 13.687 -2.691 -11.325 1.00 0.00 O ATOM 1136 NE2 GLN A 72 13.977 -2.668 -9.099 1.00 0.00 N ATOM 0 H GLN A 72 9.770 0.573 -10.041 1.00 0.00 H new ATOM 0 HA GLN A 72 9.528 -2.244 -10.790 1.00 0.00 H new ATOM 0 HB2 GLN A 72 11.700 -1.129 -9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 72 10.752 -2.298 -8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 72 11.669 -4.019 -9.371 1.00 0.00 H new ATOM 0 HG3 GLN A 72 11.286 -3.309 -10.927 1.00 0.00 H new ATOM 0 HE21 GLN A 72 13.556 -2.770 -8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.972 -2.462 -9.186 1.00 0.00 H new ATOM 1145 N ARG A 73 7.373 -1.526 -9.583 1.00 0.00 N ATOM 1146 CA ARG A 73 6.165 -1.478 -8.765 1.00 0.00 C ATOM 1147 C ARG A 73 5.936 -2.798 -8.035 1.00 0.00 C ATOM 1148 O ARG A 73 5.264 -2.838 -7.005 1.00 0.00 O ATOM 1149 CB ARG A 73 4.946 -1.143 -9.626 1.00 0.00 C ATOM 1150 CG ARG A 73 4.870 -1.938 -10.920 1.00 0.00 C ATOM 1151 CD ARG A 73 4.983 -1.037 -12.139 1.00 0.00 C ATOM 1152 NE ARG A 73 3.678 -0.563 -12.593 1.00 0.00 N ATOM 1153 CZ ARG A 73 3.471 0.030 -13.767 1.00 0.00 C ATOM 1154 NH1 ARG A 73 4.480 0.226 -14.607 1.00 0.00 N ATOM 1155 NH2 ARG A 73 2.252 0.430 -14.102 1.00 0.00 N ATOM 0 H ARG A 73 7.201 -1.611 -10.585 1.00 0.00 H new ATOM 0 HA ARG A 73 6.303 -0.694 -8.020 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.042 -1.325 -9.045 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.963 -0.080 -9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.669 -2.679 -10.940 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.928 -2.484 -10.957 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.616 -0.182 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.472 -1.580 -12.947 1.00 0.00 H new ATOM 0 HE ARG A 73 2.878 -0.694 -11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.420 -0.078 -14.355 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.315 0.681 -15.505 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.473 0.283 -13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.093 0.884 -15.001 1.00 0.00 H new ATOM 1169 N ASN A 74 6.498 -3.878 -8.573 1.00 0.00 N ATOM 1170 CA ASN A 74 6.350 -5.196 -7.966 1.00 0.00 C ATOM 1171 C ASN A 74 7.515 -5.500 -7.025 1.00 0.00 C ATOM 1172 O ASN A 74 7.829 -6.661 -6.765 1.00 0.00 O ATOM 1173 CB ASN A 74 6.258 -6.271 -9.050 1.00 0.00 C ATOM 1174 CG ASN A 74 4.920 -6.259 -9.764 1.00 0.00 C ATOM 1175 OD1 ASN A 74 3.933 -5.734 -9.247 1.00 0.00 O ATOM 1176 ND2 ASN A 74 4.880 -6.839 -10.957 1.00 0.00 N ATOM 0 H ASN A 74 7.058 -3.866 -9.425 1.00 0.00 H new ATOM 0 HA ASN A 74 5.429 -5.198 -7.383 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.056 -6.119 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.418 -7.251 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 74 4.007 -6.862 -11.484 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.722 -7.262 -11.347 1.00 0.00 H new ATOM 1183 N GLU A 75 8.152 -4.447 -6.520 1.00 0.00 N ATOM 1184 CA GLU A 75 9.283 -4.596 -5.609 1.00 0.00 C ATOM 1185 C GLU A 75 9.008 -3.918 -4.267 1.00 0.00 C ATOM 1186 O GLU A 75 9.789 -4.056 -3.326 1.00 0.00 O ATOM 1187 CB GLU A 75 10.541 -3.985 -6.229 1.00 0.00 C ATOM 1188 CG GLU A 75 11.824 -4.691 -5.827 1.00 0.00 C ATOM 1189 CD GLU A 75 12.103 -5.918 -6.673 1.00 0.00 C ATOM 1190 OE1 GLU A 75 11.237 -6.816 -6.721 1.00 0.00 O ATOM 1191 OE2 GLU A 75 13.189 -5.981 -7.288 1.00 0.00 O ATOM 0 H GLU A 75 7.904 -3.480 -6.727 1.00 0.00 H new ATOM 0 HA GLU A 75 9.432 -5.662 -5.438 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.449 -4.009 -7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.607 -2.937 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.659 -3.996 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.761 -4.983 -4.779 1.00 0.00 H new ATOM 1198 N VAL A 76 7.906 -3.175 -4.191 1.00 0.00 N ATOM 1199 CA VAL A 76 7.539 -2.453 -2.972 1.00 0.00 C ATOM 1200 C VAL A 76 6.593 -3.267 -2.097 1.00 0.00 C ATOM 1201 O VAL A 76 5.920 -4.185 -2.565 1.00 0.00 O ATOM 1202 CB VAL A 76 6.885 -1.079 -3.291 1.00 0.00 C ATOM 1203 CG1 VAL A 76 6.555 -0.951 -4.772 1.00 0.00 C ATOM 1204 CG2 VAL A 76 5.641 -0.823 -2.435 1.00 0.00 C ATOM 0 H VAL A 76 7.249 -3.056 -4.962 1.00 0.00 H new ATOM 0 HA VAL A 76 8.468 -2.284 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 76 7.620 -0.315 -3.039 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.099 0.021 -4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.470 -1.043 -5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.860 -1.740 -5.059 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.217 0.148 -2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.903 -1.603 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.917 -0.832 -1.381 1.00 0.00 H new ATOM 1214 N ARG A 77 6.528 -2.885 -0.829 1.00 0.00 N ATOM 1215 CA ARG A 77 5.646 -3.527 0.129 1.00 0.00 C ATOM 1216 C ARG A 77 4.804 -2.475 0.833 1.00 0.00 C ATOM 1217 O ARG A 77 5.288 -1.383 1.140 1.00 0.00 O ATOM 1218 CB ARG A 77 6.445 -4.342 1.147 1.00 0.00 C ATOM 1219 CG ARG A 77 6.600 -5.805 0.762 1.00 0.00 C ATOM 1220 CD ARG A 77 7.934 -6.067 0.084 1.00 0.00 C ATOM 1221 NE ARG A 77 9.042 -6.052 1.035 1.00 0.00 N ATOM 1222 CZ ARG A 77 10.222 -6.627 0.810 1.00 0.00 C ATOM 1223 NH1 ARG A 77 10.452 -7.264 -0.332 1.00 0.00 N ATOM 1224 NH2 ARG A 77 11.175 -6.563 1.729 1.00 0.00 N ATOM 0 H ARG A 77 7.084 -2.124 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 77 4.989 -4.213 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.434 -3.897 1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.953 -4.280 2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.516 -6.427 1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.789 -6.094 0.094 1.00 0.00 H new ATOM 0 HD2 ARG A 77 7.901 -7.033 -0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.105 -5.313 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 77 8.904 -5.573 1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.723 -7.315 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.358 -7.702 -0.498 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.004 -6.074 2.608 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.079 -7.003 1.558 1.00 0.00 H new ATOM 1238 N PHE A 78 3.544 -2.812 1.075 1.00 0.00 N ATOM 1239 CA PHE A 78 2.617 -1.916 1.747 1.00 0.00 C ATOM 1240 C PHE A 78 2.398 -2.417 3.165 1.00 0.00 C ATOM 1241 O PHE A 78 2.216 -3.611 3.374 1.00 0.00 O ATOM 1242 CB PHE A 78 1.293 -1.849 0.980 1.00 0.00 C ATOM 1243 CG PHE A 78 1.368 -1.025 -0.274 1.00 0.00 C ATOM 1244 CD1 PHE A 78 0.432 -0.035 -0.524 1.00 0.00 C ATOM 1245 CD2 PHE A 78 2.374 -1.240 -1.204 1.00 0.00 C ATOM 1246 CE1 PHE A 78 0.498 0.726 -1.676 1.00 0.00 C ATOM 1247 CE2 PHE A 78 2.443 -0.483 -2.358 1.00 0.00 C ATOM 1248 CZ PHE A 78 1.505 0.501 -2.594 1.00 0.00 C ATOM 0 H PHE A 78 3.139 -3.710 0.812 1.00 0.00 H new ATOM 0 HA PHE A 78 3.031 -0.908 1.780 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.980 -2.861 0.722 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.525 -1.434 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.359 0.144 0.190 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.112 -2.008 -1.024 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.237 1.496 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.231 -0.661 -3.075 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.558 1.094 -3.495 1.00 0.00 H new ATOM 1258 N PHE A 79 2.473 -1.522 4.140 1.00 0.00 N ATOM 1259 CA PHE A 79 2.324 -1.918 5.544 1.00 0.00 C ATOM 1260 C PHE A 79 1.559 -0.869 6.341 1.00 0.00 C ATOM 1261 O PHE A 79 1.844 0.322 6.239 1.00 0.00 O ATOM 1262 CB PHE A 79 3.712 -2.151 6.162 1.00 0.00 C ATOM 1263 CG PHE A 79 4.817 -2.075 5.146 1.00 0.00 C ATOM 1264 CD1 PHE A 79 5.624 -3.167 4.883 1.00 0.00 C ATOM 1265 CD2 PHE A 79 5.024 -0.907 4.438 1.00 0.00 C ATOM 1266 CE1 PHE A 79 6.616 -3.092 3.929 1.00 0.00 C ATOM 1267 CE2 PHE A 79 6.012 -0.820 3.481 1.00 0.00 C ATOM 1268 CZ PHE A 79 6.809 -1.922 3.226 1.00 0.00 C ATOM 0 H PHE A 79 2.634 -0.526 3.993 1.00 0.00 H new ATOM 0 HA PHE A 79 1.748 -2.843 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.888 -1.409 6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 79 3.732 -3.129 6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.476 -4.086 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.401 -0.048 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.242 -3.950 3.732 1.00 0.00 H new ATOM 0 HE2 PHE A 79 6.163 0.100 2.935 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.583 -1.865 2.475 1.00 0.00 H new ATOM 1278 N LEU A 80 0.590 -1.308 7.140 1.00 0.00 N ATOM 1279 CA LEU A 80 -0.189 -0.372 7.942 1.00 0.00 C ATOM 1280 C LEU A 80 0.401 -0.221 9.340 1.00 0.00 C ATOM 1281 O LEU A 80 0.601 -1.204 10.053 1.00 0.00 O ATOM 1282 CB LEU A 80 -1.651 -0.811 8.027 1.00 0.00 C ATOM 1283 CG LEU A 80 -2.661 0.302 7.745 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -2.787 0.536 6.248 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.015 -0.032 8.349 1.00 0.00 C ATOM 0 H LEU A 80 0.329 -2.288 7.248 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.148 0.599 7.448 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.816 -1.623 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.840 -1.213 9.022 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.299 1.219 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.510 1.331 6.064 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.818 0.825 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.124 -0.380 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.717 0.774 8.136 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.387 -0.961 7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.913 -0.149 9.428 1.00 0.00 H new ATOM 1297 N ARG A 81 0.678 1.022 9.720 1.00 0.00 N ATOM 1298 CA ARG A 81 1.247 1.317 11.029 1.00 0.00 C ATOM 1299 C ARG A 81 0.209 1.974 11.935 1.00 0.00 C ATOM 1300 O ARG A 81 -0.394 2.984 11.573 1.00 0.00 O ATOM 1301 CB ARG A 81 2.463 2.235 10.880 1.00 0.00 C ATOM 1302 CG ARG A 81 3.500 1.714 9.896 1.00 0.00 C ATOM 1303 CD ARG A 81 4.811 1.379 10.589 1.00 0.00 C ATOM 1304 NE ARG A 81 4.677 0.240 11.493 1.00 0.00 N ATOM 1305 CZ ARG A 81 4.556 -1.022 11.085 1.00 0.00 C ATOM 1306 NH1 ARG A 81 4.552 -1.309 9.789 1.00 0.00 N ATOM 1307 NH2 ARG A 81 4.438 -1.998 11.973 1.00 0.00 N ATOM 0 H ARG A 81 0.517 1.843 9.137 1.00 0.00 H new ATOM 0 HA ARG A 81 1.560 0.378 11.485 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.127 3.220 10.554 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.932 2.365 11.855 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.114 0.825 9.397 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.677 2.462 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 81 5.571 1.159 9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.157 2.248 11.149 1.00 0.00 H new ATOM 0 HE ARG A 81 4.676 0.422 12.497 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.642 -0.561 9.101 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.459 -2.277 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.440 -1.783 12.970 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.345 -2.964 11.660 1.00 0.00 H new