USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -152:sc= -0.11 (180deg=-0.679) USER MOD Single : A 3 GLN : amide:sc= -0.205 K(o=-0.21,f=-0.9) USER MOD Single : A 4 CYS SG : rot -14:sc= -2.42 USER MOD Single : A 5 LYS NZ :NH3+ -136:sc= -0.458 (180deg=-0.877) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.43) USER MOD Single : A 14 ASN : amide:sc= 0.00282 X(o=0.0028,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.13 K(o=-0.13,f=-2.1!) USER MOD Single : A 43 ASN : amide:sc= 0.097 X(o=0.097,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.592 13.481 3.518 1.00 0.00 N ATOM 2 CA MET A 1 -0.786 13.466 4.992 1.00 0.00 C ATOM 3 C MET A 1 -1.085 12.057 5.495 1.00 0.00 C ATOM 4 O MET A 1 -0.526 11.613 6.498 1.00 0.00 O ATOM 5 CB MET A 1 -1.941 14.407 5.341 1.00 0.00 C ATOM 6 CG MET A 1 -1.645 15.868 5.041 1.00 0.00 C ATOM 7 SD MET A 1 -3.133 16.812 4.656 1.00 0.00 S ATOM 8 CE MET A 1 -3.478 17.565 6.244 1.00 0.00 C ATOM 0 H1 MET A 1 0.042 14.264 3.259 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.171 12.580 3.214 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.511 13.610 3.048 1.00 0.00 H new ATOM 0 HA MET A 1 0.131 13.800 5.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.828 14.103 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.177 14.302 6.400 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.146 16.318 5.899 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.953 15.930 4.201 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.373 18.182 6.167 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.637 16.786 6.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.634 18.186 6.543 1.00 0.00 H new ATOM 20 N ARG A 2 -1.971 11.359 4.792 1.00 0.00 N ATOM 21 CA ARG A 2 -2.345 10.000 5.167 1.00 0.00 C ATOM 22 C ARG A 2 -1.402 8.983 4.533 1.00 0.00 C ATOM 23 O ARG A 2 -1.362 8.836 3.312 1.00 0.00 O ATOM 24 CB ARG A 2 -3.786 9.709 4.744 1.00 0.00 C ATOM 25 CG ARG A 2 -4.821 10.136 5.774 1.00 0.00 C ATOM 26 CD ARG A 2 -5.671 8.963 6.235 1.00 0.00 C ATOM 27 NE ARG A 2 -6.632 9.354 7.263 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.265 8.490 8.054 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.040 7.187 7.940 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.124 8.930 8.963 1.00 0.00 N ATOM 0 H ARG A 2 -2.443 11.712 3.960 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.268 9.915 6.251 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.990 10.220 3.803 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.892 8.641 4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.318 10.581 6.633 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.464 10.906 5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.204 8.544 5.381 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.024 8.177 6.624 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.830 10.348 7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.379 6.843 7.244 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.528 6.530 8.549 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.300 9.930 9.056 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.609 8.268 9.569 1.00 0.00 H new ATOM 44 N GLN A 3 -0.644 8.282 5.371 1.00 0.00 N ATOM 45 CA GLN A 3 0.298 7.278 4.891 1.00 0.00 C ATOM 46 C GLN A 3 0.129 5.967 5.651 1.00 0.00 C ATOM 47 O GLN A 3 -0.291 5.957 6.808 1.00 0.00 O ATOM 48 CB GLN A 3 1.734 7.785 5.037 1.00 0.00 C ATOM 49 CG GLN A 3 2.143 8.770 3.954 1.00 0.00 C ATOM 50 CD GLN A 3 3.621 9.105 4.000 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.473 8.238 3.810 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.932 10.371 4.254 1.00 0.00 N ATOM 0 H GLN A 3 -0.664 8.391 6.385 1.00 0.00 H new ATOM 0 HA GLN A 3 0.090 7.095 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.845 8.261 6.011 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.415 6.934 5.019 1.00 0.00 H new ATOM 0 HG2 GLN A 3 1.899 8.353 2.977 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.563 9.686 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.193 11.057 4.405 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.910 10.657 4.298 1.00 0.00 H new ATOM 61 N CYS A 4 0.458 4.861 4.991 1.00 0.00 N ATOM 62 CA CYS A 4 0.343 3.541 5.603 1.00 0.00 C ATOM 63 C CYS A 4 1.418 2.602 5.069 1.00 0.00 C ATOM 64 O CYS A 4 1.834 2.714 3.915 1.00 0.00 O ATOM 65 CB CYS A 4 -1.042 2.949 5.334 1.00 0.00 C ATOM 66 SG CYS A 4 -2.411 4.085 5.660 1.00 0.00 S ATOM 0 H CYS A 4 0.806 4.852 4.032 1.00 0.00 H new ATOM 0 HA CYS A 4 0.481 3.653 6.678 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.091 2.628 4.294 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.170 2.058 5.949 1.00 0.00 H new ATOM 0 HG CYS A 4 -1.979 5.099 6.349 1.00 0.00 H new ATOM 72 N LYS A 5 1.863 1.673 5.910 1.00 0.00 N ATOM 73 CA LYS A 5 2.887 0.716 5.509 1.00 0.00 C ATOM 74 C LYS A 5 2.449 -0.715 5.802 1.00 0.00 C ATOM 75 O LYS A 5 2.068 -1.044 6.922 1.00 0.00 O ATOM 76 CB LYS A 5 4.210 1.013 6.219 1.00 0.00 C ATOM 77 CG LYS A 5 4.077 1.188 7.724 1.00 0.00 C ATOM 78 CD LYS A 5 4.481 -0.072 8.475 1.00 0.00 C ATOM 79 CE LYS A 5 5.948 -0.402 8.260 1.00 0.00 C ATOM 80 NZ LYS A 5 6.435 -1.424 9.228 1.00 0.00 N ATOM 0 H LYS A 5 1.532 1.563 6.869 1.00 0.00 H new ATOM 0 HA LYS A 5 3.032 0.818 4.433 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.909 0.201 6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 5 4.643 1.919 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.700 2.021 8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.047 1.444 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.289 0.061 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.866 -0.908 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.093 -0.767 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.543 0.506 8.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.365 -1.138 9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.761 -1.505 10.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.520 -2.343 8.749 1.00 0.00 H new ATOM 94 N VAL A 6 2.512 -1.557 4.779 1.00 0.00 N ATOM 95 CA VAL A 6 2.131 -2.959 4.897 1.00 0.00 C ATOM 96 C VAL A 6 3.012 -3.684 5.910 1.00 0.00 C ATOM 97 O VAL A 6 4.207 -3.410 6.016 1.00 0.00 O ATOM 98 CB VAL A 6 2.240 -3.691 3.541 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.498 -5.016 3.591 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.718 -2.822 2.402 1.00 0.00 C ATOM 0 H VAL A 6 2.828 -1.289 3.847 1.00 0.00 H new ATOM 0 HA VAL A 6 1.094 -2.974 5.233 1.00 0.00 H new ATOM 0 HB VAL A 6 3.294 -3.892 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.585 -5.518 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.930 -5.646 4.369 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.446 -4.836 3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.808 -3.364 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.671 -2.577 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.302 -1.903 2.349 1.00 0.00 H new ATOM 110 N LEU A 7 2.414 -4.611 6.650 1.00 0.00 N ATOM 111 CA LEU A 7 3.145 -5.378 7.653 1.00 0.00 C ATOM 112 C LEU A 7 3.601 -6.726 7.094 1.00 0.00 C ATOM 113 O LEU A 7 4.532 -7.339 7.616 1.00 0.00 O ATOM 114 CB LEU A 7 2.284 -5.589 8.903 1.00 0.00 C ATOM 115 CG LEU A 7 0.909 -6.214 8.657 1.00 0.00 C ATOM 116 CD1 LEU A 7 1.043 -7.695 8.346 1.00 0.00 C ATOM 117 CD2 LEU A 7 0.007 -6.002 9.863 1.00 0.00 C ATOM 0 H LEU A 7 1.425 -4.850 6.575 1.00 0.00 H new ATOM 0 HA LEU A 7 4.031 -4.806 7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.833 -6.224 9.599 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.144 -4.626 9.393 1.00 0.00 H new ATOM 0 HG LEU A 7 0.456 -5.723 7.796 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.055 -8.122 8.174 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.655 -7.825 7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.516 -8.202 9.187 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.967 -6.452 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.457 -6.468 10.740 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.116 -4.934 10.042 1.00 0.00 H new ATOM 129 N PHE A 8 2.942 -7.184 6.031 1.00 0.00 N ATOM 130 CA PHE A 8 3.286 -8.459 5.409 1.00 0.00 C ATOM 131 C PHE A 8 3.822 -8.251 3.995 1.00 0.00 C ATOM 132 O PHE A 8 3.903 -7.123 3.509 1.00 0.00 O ATOM 133 CB PHE A 8 2.063 -9.382 5.370 1.00 0.00 C ATOM 134 CG PHE A 8 2.170 -10.565 6.290 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.714 -10.429 7.558 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.725 -11.814 5.887 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.813 -11.517 8.405 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.821 -12.905 6.729 1.00 0.00 C ATOM 139 CZ PHE A 8 2.366 -12.756 7.990 1.00 0.00 C ATOM 0 H PHE A 8 2.169 -6.692 5.584 1.00 0.00 H new ATOM 0 HA PHE A 8 4.067 -8.925 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.176 -8.806 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.920 -9.738 4.350 1.00 0.00 H new ATOM 0 HD1 PHE A 8 3.064 -9.462 7.888 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.298 -11.936 4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 8 3.239 -11.398 9.390 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.471 -13.873 6.402 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.442 -13.607 8.650 1.00 0.00 H new ATOM 149 N GLU A 9 4.187 -9.349 3.341 1.00 0.00 N ATOM 150 CA GLU A 9 4.716 -9.292 1.983 1.00 0.00 C ATOM 151 C GLU A 9 3.670 -9.753 0.973 1.00 0.00 C ATOM 152 O GLU A 9 2.820 -10.588 1.282 1.00 0.00 O ATOM 153 CB GLU A 9 5.971 -10.161 1.867 1.00 0.00 C ATOM 154 CG GLU A 9 6.910 -9.732 0.753 1.00 0.00 C ATOM 155 CD GLU A 9 8.261 -10.416 0.835 1.00 0.00 C ATOM 156 OE1 GLU A 9 9.143 -9.903 1.555 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.436 -11.465 0.180 1.00 0.00 O ATOM 0 H GLU A 9 4.126 -10.290 3.730 1.00 0.00 H new ATOM 0 HA GLU A 9 4.976 -8.257 1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.509 -10.134 2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.672 -11.196 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.451 -9.955 -0.210 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.050 -8.652 0.796 1.00 0.00 H new ATOM 164 N TYR A 10 3.736 -9.203 -0.236 1.00 0.00 N ATOM 165 CA TYR A 10 2.792 -9.559 -1.290 1.00 0.00 C ATOM 166 C TYR A 10 3.503 -9.709 -2.631 1.00 0.00 C ATOM 167 O TYR A 10 4.323 -8.871 -3.007 1.00 0.00 O ATOM 168 CB TYR A 10 1.693 -8.500 -1.399 1.00 0.00 C ATOM 169 CG TYR A 10 0.604 -8.858 -2.385 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.230 -9.947 -2.162 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.410 -8.108 -3.538 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.227 -10.278 -3.061 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.585 -8.433 -4.442 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.400 -9.518 -4.199 1.00 0.00 C ATOM 175 OH TYR A 10 -2.390 -9.845 -5.096 1.00 0.00 O ATOM 0 H TYR A 10 4.432 -8.510 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 10 2.341 -10.516 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.247 -8.349 -0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.142 -7.552 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.097 -10.544 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.046 -7.257 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.867 -11.127 -2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.723 -7.840 -5.334 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.379 -9.210 -5.842 1.00 0.00 H new ATOM 185 N ILE A 11 3.182 -10.781 -3.348 1.00 0.00 N ATOM 186 CA ILE A 11 3.790 -11.040 -4.648 1.00 0.00 C ATOM 187 C ILE A 11 2.826 -10.696 -5.783 1.00 0.00 C ATOM 188 O ILE A 11 1.857 -11.417 -6.022 1.00 0.00 O ATOM 189 CB ILE A 11 4.214 -12.515 -4.783 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.019 -12.950 -3.556 1.00 0.00 C ATOM 191 CG2 ILE A 11 5.023 -12.720 -6.055 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.467 -14.394 -3.609 1.00 0.00 C ATOM 0 H ILE A 11 2.505 -11.484 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 11 4.674 -10.406 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 11 3.317 -13.132 -4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.896 -12.309 -3.461 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.414 -12.798 -2.662 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.315 -13.767 -6.136 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.419 -12.444 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.916 -12.096 -6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.032 -14.633 -2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.594 -15.044 -3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.098 -14.547 -4.484 1.00 0.00 H new ATOM 204 N PRO A 12 3.077 -9.585 -6.500 1.00 0.00 N ATOM 205 CA PRO A 12 2.224 -9.154 -7.609 1.00 0.00 C ATOM 206 C PRO A 12 2.491 -9.939 -8.889 1.00 0.00 C ATOM 207 O PRO A 12 3.634 -10.053 -9.332 1.00 0.00 O ATOM 208 CB PRO A 12 2.613 -7.688 -7.789 1.00 0.00 C ATOM 209 CG PRO A 12 4.041 -7.628 -7.370 1.00 0.00 C ATOM 210 CD PRO A 12 4.208 -8.660 -6.284 1.00 0.00 C ATOM 0 HA PRO A 12 1.166 -9.312 -7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.489 -7.368 -8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.992 -7.034 -7.177 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.702 -7.838 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.297 -6.634 -7.004 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.166 -9.174 -6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.171 -8.208 -5.293 1.00 0.00 H new ATOM 218 N GLN A 13 1.429 -10.476 -9.479 1.00 0.00 N ATOM 219 CA GLN A 13 1.548 -11.249 -10.711 1.00 0.00 C ATOM 220 C GLN A 13 1.270 -10.374 -11.930 1.00 0.00 C ATOM 221 O GLN A 13 1.816 -10.604 -13.008 1.00 0.00 O ATOM 222 CB GLN A 13 0.583 -12.436 -10.688 1.00 0.00 C ATOM 223 CG GLN A 13 1.207 -13.716 -10.156 1.00 0.00 C ATOM 224 CD GLN A 13 2.414 -14.156 -10.961 1.00 0.00 C ATOM 225 OE1 GLN A 13 2.321 -14.379 -12.168 1.00 0.00 O ATOM 226 NE2 GLN A 13 3.555 -14.283 -10.295 1.00 0.00 N ATOM 0 H GLN A 13 0.476 -10.391 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 13 2.570 -11.623 -10.780 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.280 -12.180 -10.074 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.214 -12.614 -11.698 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.503 -13.567 -9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.460 -14.510 -10.164 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.586 -14.088 -9.294 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.401 -14.576 -10.784 1.00 0.00 H new ATOM 235 N ASN A 14 0.417 -9.371 -11.749 1.00 0.00 N ATOM 236 CA ASN A 14 0.066 -8.460 -12.833 1.00 0.00 C ATOM 237 C ASN A 14 0.834 -7.148 -12.710 1.00 0.00 C ATOM 238 O ASN A 14 1.252 -6.762 -11.619 1.00 0.00 O ATOM 239 CB ASN A 14 -1.440 -8.187 -12.828 1.00 0.00 C ATOM 240 CG ASN A 14 -2.189 -9.054 -13.821 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.224 -10.277 -13.692 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.792 -8.422 -14.821 1.00 0.00 N ATOM 0 H ASN A 14 -0.044 -9.168 -10.862 1.00 0.00 H new ATOM 0 HA ASN A 14 0.340 -8.932 -13.776 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.835 -8.362 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.617 -7.137 -13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.310 -8.953 -15.521 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.737 -7.406 -14.889 1.00 0.00 H new ATOM 249 N GLU A 15 1.017 -6.467 -13.837 1.00 0.00 N ATOM 250 CA GLU A 15 1.735 -5.197 -13.854 1.00 0.00 C ATOM 251 C GLU A 15 0.973 -4.132 -13.071 1.00 0.00 C ATOM 252 O GLU A 15 1.573 -3.262 -12.441 1.00 0.00 O ATOM 253 CB GLU A 15 1.955 -4.732 -15.296 1.00 0.00 C ATOM 254 CG GLU A 15 3.393 -4.872 -15.767 1.00 0.00 C ATOM 255 CD GLU A 15 3.598 -4.354 -17.177 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.403 -3.140 -17.397 1.00 0.00 O ATOM 257 OE2 GLU A 15 3.954 -5.161 -18.060 1.00 0.00 O ATOM 0 H GLU A 15 0.679 -6.773 -14.749 1.00 0.00 H new ATOM 0 HA GLU A 15 2.704 -5.347 -13.377 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.307 -5.307 -15.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.653 -3.688 -15.383 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.049 -4.330 -15.086 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.685 -5.921 -15.723 1.00 0.00 H new ATOM 264 N ASP A 16 -0.353 -4.209 -13.116 1.00 0.00 N ATOM 265 CA ASP A 16 -1.199 -3.253 -12.410 1.00 0.00 C ATOM 266 C ASP A 16 -1.028 -3.374 -10.897 1.00 0.00 C ATOM 267 O ASP A 16 -1.388 -2.465 -10.150 1.00 0.00 O ATOM 268 CB ASP A 16 -2.666 -3.466 -12.787 1.00 0.00 C ATOM 269 CG ASP A 16 -3.134 -4.881 -12.513 1.00 0.00 C ATOM 270 OD1 ASP A 16 -3.230 -5.255 -11.325 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.404 -5.616 -13.486 1.00 0.00 O ATOM 0 H ASP A 16 -0.865 -4.923 -13.634 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.892 -2.250 -12.708 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.287 -2.766 -12.228 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.803 -3.239 -13.844 1.00 0.00 H new ATOM 276 N GLU A 17 -0.480 -4.501 -10.449 1.00 0.00 N ATOM 277 CA GLU A 17 -0.268 -4.732 -9.025 1.00 0.00 C ATOM 278 C GLU A 17 1.176 -4.436 -8.632 1.00 0.00 C ATOM 279 O GLU A 17 2.108 -4.736 -9.379 1.00 0.00 O ATOM 280 CB GLU A 17 -0.625 -6.177 -8.663 1.00 0.00 C ATOM 281 CG GLU A 17 -1.916 -6.303 -7.872 1.00 0.00 C ATOM 282 CD GLU A 17 -3.084 -6.750 -8.729 1.00 0.00 C ATOM 283 OE1 GLU A 17 -3.128 -7.943 -9.097 1.00 0.00 O ATOM 284 OE2 GLU A 17 -3.955 -5.908 -9.031 1.00 0.00 O ATOM 0 H GLU A 17 -0.176 -5.266 -11.051 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.919 -4.055 -8.472 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.711 -6.762 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.190 -6.610 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.772 -7.016 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.153 -5.342 -7.414 1.00 0.00 H new ATOM 291 N LEU A 18 1.353 -3.846 -7.454 1.00 0.00 N ATOM 292 CA LEU A 18 2.683 -3.509 -6.959 1.00 0.00 C ATOM 293 C LEU A 18 3.136 -4.505 -5.896 1.00 0.00 C ATOM 294 O LEU A 18 2.316 -5.186 -5.280 1.00 0.00 O ATOM 295 CB LEU A 18 2.690 -2.089 -6.385 1.00 0.00 C ATOM 296 CG LEU A 18 3.821 -1.192 -6.891 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.465 0.274 -6.698 1.00 0.00 C ATOM 298 CD2 LEU A 18 5.123 -1.525 -6.178 1.00 0.00 C ATOM 0 H LEU A 18 0.592 -3.591 -6.824 1.00 0.00 H new ATOM 0 HA LEU A 18 3.380 -3.558 -7.795 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.737 -1.614 -6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.756 -2.153 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 18 3.956 -1.375 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.281 0.898 -7.063 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.556 0.504 -7.253 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.303 0.473 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.917 -0.878 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.001 -1.370 -5.106 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.385 -2.566 -6.367 1.00 0.00 H new ATOM 310 N GLU A 19 4.446 -4.586 -5.687 1.00 0.00 N ATOM 311 CA GLU A 19 5.007 -5.501 -4.698 1.00 0.00 C ATOM 312 C GLU A 19 5.103 -4.834 -3.330 1.00 0.00 C ATOM 313 O GLU A 19 5.928 -3.945 -3.118 1.00 0.00 O ATOM 314 CB GLU A 19 6.390 -5.979 -5.143 1.00 0.00 C ATOM 315 CG GLU A 19 6.734 -7.378 -4.661 1.00 0.00 C ATOM 316 CD GLU A 19 8.180 -7.505 -4.223 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.700 -6.549 -3.610 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.792 -8.559 -4.494 1.00 0.00 O ATOM 0 H GLU A 19 5.139 -4.030 -6.188 1.00 0.00 H new ATOM 0 HA GLU A 19 4.341 -6.360 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.440 -5.956 -6.232 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.142 -5.282 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.082 -7.642 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.536 -8.092 -5.460 1.00 0.00 H new ATOM 325 N LEU A 20 4.255 -5.270 -2.404 1.00 0.00 N ATOM 326 CA LEU A 20 4.245 -4.717 -1.055 1.00 0.00 C ATOM 327 C LEU A 20 5.182 -5.498 -0.139 1.00 0.00 C ATOM 328 O LEU A 20 4.909 -6.647 0.210 1.00 0.00 O ATOM 329 CB LEU A 20 2.827 -4.734 -0.483 1.00 0.00 C ATOM 330 CG LEU A 20 1.755 -4.123 -1.387 1.00 0.00 C ATOM 331 CD1 LEU A 20 1.069 -5.204 -2.207 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.737 -3.352 -0.559 1.00 0.00 C ATOM 0 H LEU A 20 3.566 -6.005 -2.563 1.00 0.00 H new ATOM 0 HA LEU A 20 4.595 -3.686 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.552 -5.766 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.828 -4.198 0.466 1.00 0.00 H new ATOM 0 HG LEU A 20 2.238 -3.427 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.310 -4.751 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.806 -5.713 -2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.598 -5.925 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.018 -2.924 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.259 -4.027 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.240 -2.552 -0.016 1.00 0.00 H new ATOM 344 N LYS A 21 6.284 -4.867 0.250 1.00 0.00 N ATOM 345 CA LYS A 21 7.259 -5.503 1.128 1.00 0.00 C ATOM 346 C LYS A 21 7.067 -5.048 2.571 1.00 0.00 C ATOM 347 O LYS A 21 6.407 -4.043 2.832 1.00 0.00 O ATOM 348 CB LYS A 21 8.681 -5.181 0.665 1.00 0.00 C ATOM 349 CG LYS A 21 9.753 -5.958 1.412 1.00 0.00 C ATOM 350 CD LYS A 21 11.084 -5.916 0.679 1.00 0.00 C ATOM 351 CE LYS A 21 11.793 -4.587 0.885 1.00 0.00 C ATOM 352 NZ LYS A 21 12.545 -4.164 -0.328 1.00 0.00 N ATOM 0 H LYS A 21 6.525 -3.916 -0.029 1.00 0.00 H new ATOM 0 HA LYS A 21 7.105 -6.581 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.765 -5.395 -0.401 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.863 -4.114 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.874 -5.543 2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.436 -6.994 1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.720 -6.727 1.032 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.919 -6.080 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.061 -3.822 1.143 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.480 -4.669 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.014 -3.254 -0.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.261 -4.882 -0.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.886 -4.061 -1.126 1.00 0.00 H new ATOM 366 N VAL A 22 7.647 -5.795 3.504 1.00 0.00 N ATOM 367 CA VAL A 22 7.538 -5.465 4.920 1.00 0.00 C ATOM 368 C VAL A 22 8.293 -4.179 5.242 1.00 0.00 C ATOM 369 O VAL A 22 9.464 -4.031 4.894 1.00 0.00 O ATOM 370 CB VAL A 22 8.077 -6.607 5.806 1.00 0.00 C ATOM 371 CG1 VAL A 22 9.556 -6.845 5.537 1.00 0.00 C ATOM 372 CG2 VAL A 22 7.836 -6.304 7.278 1.00 0.00 C ATOM 0 H VAL A 22 8.196 -6.631 3.306 1.00 0.00 H new ATOM 0 HA VAL A 22 6.479 -5.322 5.134 1.00 0.00 H new ATOM 0 HB VAL A 22 7.536 -7.519 5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.916 -7.654 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.697 -7.115 4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.116 -5.936 5.755 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.223 -7.122 7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.345 -5.379 7.547 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.766 -6.194 7.457 1.00 0.00 H new ATOM 382 N GLY A 23 7.614 -3.251 5.909 1.00 0.00 N ATOM 383 CA GLY A 23 8.238 -1.990 6.266 1.00 0.00 C ATOM 384 C GLY A 23 8.052 -0.918 5.206 1.00 0.00 C ATOM 385 O GLY A 23 8.434 0.234 5.411 1.00 0.00 O ATOM 0 H GLY A 23 6.644 -3.349 6.208 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.820 -1.638 7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.304 -2.151 6.430 1.00 0.00 H new ATOM 389 N ASP A 24 7.469 -1.294 4.070 1.00 0.00 N ATOM 390 CA ASP A 24 7.243 -0.349 2.982 1.00 0.00 C ATOM 391 C ASP A 24 6.014 0.513 3.253 1.00 0.00 C ATOM 392 O ASP A 24 4.956 0.004 3.626 1.00 0.00 O ATOM 393 CB ASP A 24 7.076 -1.095 1.657 1.00 0.00 C ATOM 394 CG ASP A 24 8.401 -1.346 0.962 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.425 -0.796 1.417 1.00 0.00 O ATOM 396 OD2 ASP A 24 8.413 -2.093 -0.039 1.00 0.00 O ATOM 0 H ASP A 24 7.146 -2.243 3.880 1.00 0.00 H new ATOM 0 HA ASP A 24 8.113 0.304 2.916 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.579 -2.048 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.427 -0.518 0.998 1.00 0.00 H new ATOM 401 N ILE A 25 6.161 1.820 3.063 1.00 0.00 N ATOM 402 CA ILE A 25 5.064 2.754 3.285 1.00 0.00 C ATOM 403 C ILE A 25 4.614 3.394 1.974 1.00 0.00 C ATOM 404 O ILE A 25 5.416 3.993 1.257 1.00 0.00 O ATOM 405 CB ILE A 25 5.461 3.864 4.281 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.250 4.735 4.619 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.588 4.714 3.714 1.00 0.00 C ATOM 408 CD1 ILE A 25 4.418 5.536 5.892 1.00 0.00 C ATOM 0 H ILE A 25 7.030 2.256 2.755 1.00 0.00 H new ATOM 0 HA ILE A 25 4.239 2.180 3.707 1.00 0.00 H new ATOM 0 HB ILE A 25 5.816 3.393 5.198 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.062 5.419 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.370 4.099 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.854 5.491 4.431 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.457 4.085 3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.262 5.176 2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.521 6.130 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.576 4.858 6.731 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.278 6.198 5.794 1.00 0.00 H new ATOM 420 N ILE A 26 3.328 3.261 1.667 1.00 0.00 N ATOM 421 CA ILE A 26 2.772 3.825 0.443 1.00 0.00 C ATOM 422 C ILE A 26 1.759 4.921 0.753 1.00 0.00 C ATOM 423 O ILE A 26 0.808 4.706 1.505 1.00 0.00 O ATOM 424 CB ILE A 26 2.091 2.743 -0.417 1.00 0.00 C ATOM 425 CG1 ILE A 26 2.999 1.521 -0.555 1.00 0.00 C ATOM 426 CG2 ILE A 26 1.733 3.302 -1.786 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.804 0.495 0.540 1.00 0.00 C ATOM 0 H ILE A 26 2.651 2.767 2.249 1.00 0.00 H new ATOM 0 HA ILE A 26 3.606 4.251 -0.115 1.00 0.00 H new ATOM 0 HB ILE A 26 1.171 2.433 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.815 1.049 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.038 1.849 -0.553 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.253 2.526 -2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.050 4.144 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.639 3.638 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.481 -0.344 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.016 0.950 1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.774 0.138 0.525 1.00 0.00 H new ATOM 439 N ASP A 27 1.969 6.097 0.170 1.00 0.00 N ATOM 440 CA ASP A 27 1.071 7.226 0.386 1.00 0.00 C ATOM 441 C ASP A 27 -0.238 7.029 -0.371 1.00 0.00 C ATOM 442 O ASP A 27 -0.246 6.915 -1.597 1.00 0.00 O ATOM 443 CB ASP A 27 1.739 8.528 -0.058 1.00 0.00 C ATOM 444 CG ASP A 27 2.977 8.850 0.756 1.00 0.00 C ATOM 445 OD1 ASP A 27 3.804 7.937 0.965 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.120 10.014 1.185 1.00 0.00 O ATOM 0 H ASP A 27 2.751 6.293 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 27 0.850 7.285 1.452 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.009 8.453 -1.111 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.026 9.348 0.031 1.00 0.00 H new ATOM 451 N ILE A 28 -1.343 6.988 0.366 1.00 0.00 N ATOM 452 CA ILE A 28 -2.657 6.804 -0.237 1.00 0.00 C ATOM 453 C ILE A 28 -3.256 8.138 -0.671 1.00 0.00 C ATOM 454 O ILE A 28 -3.193 9.125 0.061 1.00 0.00 O ATOM 455 CB ILE A 28 -3.631 6.107 0.734 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.801 6.935 2.009 1.00 0.00 C ATOM 457 CG2 ILE A 28 -3.136 4.708 1.066 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.785 6.337 2.991 1.00 0.00 C ATOM 0 H ILE A 28 -1.354 7.080 1.382 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.515 6.171 -1.113 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.603 6.023 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.832 7.040 2.496 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.133 7.938 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.834 4.228 1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.066 4.120 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.153 4.771 1.533 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.855 6.977 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.765 6.257 2.521 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.444 5.346 3.289 1.00 0.00 H new ATOM 470 N ASN A 29 -3.835 8.159 -1.868 1.00 0.00 N ATOM 471 CA ASN A 29 -4.444 9.372 -2.401 1.00 0.00 C ATOM 472 C ASN A 29 -5.966 9.261 -2.407 1.00 0.00 C ATOM 473 O ASN A 29 -6.666 10.187 -1.997 1.00 0.00 O ATOM 474 CB ASN A 29 -3.936 9.642 -3.819 1.00 0.00 C ATOM 475 CG ASN A 29 -3.974 11.115 -4.176 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.934 11.755 -4.331 1.00 0.00 O ATOM 477 ND2 ASN A 29 -5.177 11.662 -4.307 1.00 0.00 N ATOM 0 H ASN A 29 -3.895 7.350 -2.486 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.161 10.204 -1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.914 9.275 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.542 9.082 -4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.265 12.650 -4.545 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -6.013 11.094 -4.170 1.00 0.00 H new ATOM 484 N GLU A 30 -6.471 8.124 -2.875 1.00 0.00 N ATOM 485 CA GLU A 30 -7.910 7.896 -2.934 1.00 0.00 C ATOM 486 C GLU A 30 -8.222 6.411 -3.096 1.00 0.00 C ATOM 487 O GLU A 30 -7.346 5.616 -3.438 1.00 0.00 O ATOM 488 CB GLU A 30 -8.525 8.687 -4.090 1.00 0.00 C ATOM 489 CG GLU A 30 -9.903 9.248 -3.778 1.00 0.00 C ATOM 490 CD GLU A 30 -9.897 10.755 -3.615 1.00 0.00 C ATOM 491 OE1 GLU A 30 -9.383 11.448 -4.519 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.406 11.244 -2.585 1.00 0.00 O ATOM 0 H GLU A 30 -5.906 7.347 -3.218 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.345 8.239 -1.995 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.858 9.508 -4.352 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.594 8.041 -4.965 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.591 8.976 -4.578 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.279 8.789 -2.864 1.00 0.00 H new ATOM 499 N GLU A 31 -9.476 6.045 -2.849 1.00 0.00 N ATOM 500 CA GLU A 31 -9.906 4.656 -2.967 1.00 0.00 C ATOM 501 C GLU A 31 -10.516 4.391 -4.340 1.00 0.00 C ATOM 502 O GLU A 31 -11.054 5.297 -4.976 1.00 0.00 O ATOM 503 CB GLU A 31 -10.921 4.319 -1.873 1.00 0.00 C ATOM 504 CG GLU A 31 -10.480 4.744 -0.482 1.00 0.00 C ATOM 505 CD GLU A 31 -11.648 5.090 0.419 1.00 0.00 C ATOM 506 OE1 GLU A 31 -12.265 4.157 0.976 1.00 0.00 O ATOM 507 OE2 GLU A 31 -11.946 6.293 0.570 1.00 0.00 O ATOM 0 H GLU A 31 -10.212 6.691 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.029 4.019 -2.848 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.869 4.802 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.102 3.244 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.901 3.941 -0.027 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.819 5.607 -0.562 1.00 0.00 H new ATOM 514 N VAL A 32 -10.428 3.144 -4.790 1.00 0.00 N ATOM 515 CA VAL A 32 -10.971 2.761 -6.088 1.00 0.00 C ATOM 516 C VAL A 32 -12.429 2.330 -5.970 1.00 0.00 C ATOM 517 O VAL A 32 -13.326 2.998 -6.485 1.00 0.00 O ATOM 518 CB VAL A 32 -10.157 1.617 -6.723 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.626 1.355 -8.147 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.670 1.938 -6.696 1.00 0.00 C ATOM 0 H VAL A 32 -9.986 2.382 -4.276 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.907 3.640 -6.729 1.00 0.00 H new ATOM 0 HB VAL A 32 -10.320 0.712 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.040 0.544 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.680 1.076 -8.138 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.495 2.257 -8.745 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.112 1.118 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.485 2.855 -7.256 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.345 2.071 -5.664 1.00 0.00 H new ATOM 530 N GLU A 33 -12.661 1.213 -5.288 1.00 0.00 N ATOM 531 CA GLU A 33 -14.014 0.698 -5.104 1.00 0.00 C ATOM 532 C GLU A 33 -14.216 0.176 -3.683 1.00 0.00 C ATOM 533 O GLU A 33 -14.904 0.801 -2.876 1.00 0.00 O ATOM 534 CB GLU A 33 -14.318 -0.411 -6.120 1.00 0.00 C ATOM 535 CG GLU A 33 -13.115 -1.271 -6.484 1.00 0.00 C ATOM 536 CD GLU A 33 -12.743 -1.164 -7.951 1.00 0.00 C ATOM 537 OE1 GLU A 33 -13.650 -0.935 -8.778 1.00 0.00 O ATOM 538 OE2 GLU A 33 -11.544 -1.311 -8.271 1.00 0.00 O ATOM 0 H GLU A 33 -11.931 0.648 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.706 1.524 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.101 -1.053 -5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.714 0.043 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.262 -0.973 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.331 -2.312 -6.243 1.00 0.00 H new ATOM 545 N GLU A 34 -13.615 -0.971 -3.382 1.00 0.00 N ATOM 546 CA GLU A 34 -13.734 -1.570 -2.057 1.00 0.00 C ATOM 547 C GLU A 34 -12.833 -2.795 -1.929 1.00 0.00 C ATOM 548 O GLU A 34 -13.186 -3.771 -1.268 1.00 0.00 O ATOM 549 CB GLU A 34 -15.187 -1.961 -1.779 1.00 0.00 C ATOM 550 CG GLU A 34 -15.559 -1.912 -0.306 1.00 0.00 C ATOM 551 CD GLU A 34 -15.597 -3.287 0.331 1.00 0.00 C ATOM 552 OE1 GLU A 34 -15.957 -4.257 -0.369 1.00 0.00 O ATOM 553 OE2 GLU A 34 -15.267 -3.395 1.531 1.00 0.00 O ATOM 0 H GLU A 34 -13.042 -1.503 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.417 -0.830 -1.323 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.847 -1.294 -2.334 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.362 -2.969 -2.156 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -14.840 -1.289 0.226 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.534 -1.438 -0.197 1.00 0.00 H new ATOM 560 N GLY A 35 -11.669 -2.734 -2.566 1.00 0.00 N ATOM 561 CA GLY A 35 -10.733 -3.841 -2.512 1.00 0.00 C ATOM 562 C GLY A 35 -9.322 -3.420 -2.870 1.00 0.00 C ATOM 563 O GLY A 35 -8.379 -3.689 -2.126 1.00 0.00 O ATOM 0 H GLY A 35 -11.357 -1.936 -3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.738 -4.270 -1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.060 -4.624 -3.196 1.00 0.00 H new ATOM 567 N TRP A 36 -9.179 -2.754 -4.011 1.00 0.00 N ATOM 568 CA TRP A 36 -7.875 -2.289 -4.467 1.00 0.00 C ATOM 569 C TRP A 36 -7.707 -0.800 -4.184 1.00 0.00 C ATOM 570 O TRP A 36 -8.586 0.004 -4.497 1.00 0.00 O ATOM 571 CB TRP A 36 -7.706 -2.559 -5.963 1.00 0.00 C ATOM 572 CG TRP A 36 -8.165 -3.923 -6.379 1.00 0.00 C ATOM 573 CD1 TRP A 36 -9.417 -4.275 -6.797 1.00 0.00 C ATOM 574 CD2 TRP A 36 -7.378 -5.119 -6.418 1.00 0.00 C ATOM 575 NE1 TRP A 36 -9.456 -5.616 -7.093 1.00 0.00 N ATOM 576 CE2 TRP A 36 -8.217 -6.156 -6.869 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.045 -5.414 -6.117 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -7.765 -7.464 -7.025 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -5.598 -6.713 -6.272 1.00 0.00 C ATOM 580 CH2 TRP A 36 -6.456 -7.724 -6.723 1.00 0.00 C ATOM 0 H TRP A 36 -9.951 -2.524 -4.637 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.107 -2.837 -3.921 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -8.264 -1.810 -6.525 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -6.656 -2.441 -6.229 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.254 -3.598 -6.882 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.274 -6.126 -7.425 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.376 -4.641 -5.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.424 -8.246 -7.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.570 -6.952 -6.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.077 -8.729 -6.835 1.00 0.00 H new ATOM 591 N TRP A 37 -6.576 -0.438 -3.588 1.00 0.00 N ATOM 592 CA TRP A 37 -6.298 0.956 -3.262 1.00 0.00 C ATOM 593 C TRP A 37 -5.155 1.499 -4.112 1.00 0.00 C ATOM 594 O TRP A 37 -4.357 0.737 -4.658 1.00 0.00 O ATOM 595 CB TRP A 37 -5.957 1.096 -1.777 1.00 0.00 C ATOM 596 CG TRP A 37 -7.161 1.291 -0.908 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.393 0.729 -1.078 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.250 2.107 0.266 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.242 1.144 -0.081 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.564 1.990 0.756 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.345 2.923 0.952 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.996 2.659 1.899 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.775 3.587 2.086 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.090 3.451 2.550 1.00 0.00 C ATOM 0 H TRP A 37 -5.838 -1.089 -3.321 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.194 1.538 -3.479 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.421 0.205 -1.449 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.281 1.941 -1.645 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.661 0.056 -1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.219 0.867 0.020 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.329 3.033 0.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.009 2.556 2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.085 4.221 2.623 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.395 3.982 3.440 1.00 0.00 H new ATOM 615 N SER A 38 -5.082 2.822 -4.217 1.00 0.00 N ATOM 616 CA SER A 38 -4.036 3.470 -4.999 1.00 0.00 C ATOM 617 C SER A 38 -3.048 4.191 -4.090 1.00 0.00 C ATOM 618 O SER A 38 -3.443 4.877 -3.147 1.00 0.00 O ATOM 619 CB SER A 38 -4.651 4.461 -5.989 1.00 0.00 C ATOM 620 OG SER A 38 -5.398 3.789 -6.988 1.00 0.00 O ATOM 0 H SER A 38 -5.735 3.466 -3.770 1.00 0.00 H new ATOM 0 HA SER A 38 -3.499 2.699 -5.552 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.297 5.159 -5.456 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.862 5.050 -6.456 1.00 0.00 H new ATOM 0 HG SER A 38 -5.782 4.445 -7.607 1.00 0.00 H new ATOM 626 N GLY A 39 -1.761 4.030 -4.378 1.00 0.00 N ATOM 627 CA GLY A 39 -0.737 4.672 -3.576 1.00 0.00 C ATOM 628 C GLY A 39 0.480 5.064 -4.392 1.00 0.00 C ATOM 629 O GLY A 39 0.545 4.794 -5.591 1.00 0.00 O ATOM 0 H GLY A 39 -1.409 3.467 -5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.155 5.561 -3.103 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.432 3.998 -2.775 1.00 0.00 H new ATOM 633 N THR A 40 1.446 5.703 -3.740 1.00 0.00 N ATOM 634 CA THR A 40 2.666 6.133 -4.412 1.00 0.00 C ATOM 635 C THR A 40 3.900 5.745 -3.604 1.00 0.00 C ATOM 636 O THR A 40 3.999 6.055 -2.417 1.00 0.00 O ATOM 637 CB THR A 40 2.645 7.646 -4.635 1.00 0.00 C ATOM 638 OG1 THR A 40 1.351 8.079 -5.016 1.00 0.00 O ATOM 639 CG2 THR A 40 3.617 8.108 -5.699 1.00 0.00 C ATOM 0 H THR A 40 1.407 5.934 -2.747 1.00 0.00 H new ATOM 0 HA THR A 40 2.714 5.630 -5.378 1.00 0.00 H new ATOM 0 HB THR A 40 2.942 8.083 -3.681 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.358 9.049 -5.152 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.551 9.191 -5.807 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.631 7.833 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.370 7.633 -6.649 1.00 0.00 H new ATOM 647 N LEU A 41 4.839 5.065 -4.255 1.00 0.00 N ATOM 648 CA LEU A 41 6.067 4.636 -3.595 1.00 0.00 C ATOM 649 C LEU A 41 7.211 5.600 -3.895 1.00 0.00 C ATOM 650 O LEU A 41 8.375 5.202 -3.939 1.00 0.00 O ATOM 651 CB LEU A 41 6.441 3.220 -4.042 1.00 0.00 C ATOM 652 CG LEU A 41 6.748 2.244 -2.905 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.243 0.850 -3.244 1.00 0.00 C ATOM 654 CD2 LEU A 41 8.242 2.216 -2.617 1.00 0.00 C ATOM 0 H LEU A 41 4.773 4.800 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 41 5.893 4.635 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.623 2.815 -4.638 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.312 3.279 -4.695 1.00 0.00 H new ATOM 0 HG LEU A 41 6.230 2.586 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.471 0.171 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.165 0.882 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.731 0.497 -4.153 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.443 1.517 -1.805 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.779 1.899 -3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.576 3.213 -2.328 1.00 0.00 H new ATOM 666 N ASN A 42 6.872 6.869 -4.099 1.00 0.00 N ATOM 667 CA ASN A 42 7.870 7.892 -4.394 1.00 0.00 C ATOM 668 C ASN A 42 8.671 7.536 -5.644 1.00 0.00 C ATOM 669 O ASN A 42 9.783 8.027 -5.839 1.00 0.00 O ATOM 670 CB ASN A 42 8.815 8.069 -3.204 1.00 0.00 C ATOM 671 CG ASN A 42 9.421 9.458 -3.151 1.00 0.00 C ATOM 672 OD1 ASN A 42 8.944 10.382 -3.809 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.480 9.612 -2.365 1.00 0.00 N ATOM 0 H ASN A 42 5.913 7.214 -4.065 1.00 0.00 H new ATOM 0 HA ASN A 42 7.345 8.829 -4.579 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.271 7.877 -2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.613 7.329 -3.264 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.931 10.524 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.843 8.818 -1.837 1.00 0.00 H new ATOM 680 N ASN A 43 8.100 6.682 -6.490 1.00 0.00 N ATOM 681 CA ASN A 43 8.762 6.264 -7.722 1.00 0.00 C ATOM 682 C ASN A 43 7.927 5.220 -8.456 1.00 0.00 C ATOM 683 O ASN A 43 7.773 5.279 -9.676 1.00 0.00 O ATOM 684 CB ASN A 43 10.154 5.700 -7.419 1.00 0.00 C ATOM 685 CG ASN A 43 11.218 6.268 -8.338 1.00 0.00 C ATOM 686 OD1 ASN A 43 11.431 5.770 -9.443 1.00 0.00 O ATOM 687 ND2 ASN A 43 11.894 7.317 -7.884 1.00 0.00 N ATOM 0 H ASN A 43 7.180 6.266 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 43 8.868 7.140 -8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 43 10.416 5.921 -6.384 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.133 4.615 -7.518 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.622 7.742 -8.458 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.685 7.698 -6.961 1.00 0.00 H new ATOM 694 N LYS A 44 7.389 4.265 -7.704 1.00 0.00 N ATOM 695 CA LYS A 44 6.569 3.207 -8.282 1.00 0.00 C ATOM 696 C LYS A 44 5.085 3.511 -8.103 1.00 0.00 C ATOM 697 O LYS A 44 4.676 4.086 -7.094 1.00 0.00 O ATOM 698 CB LYS A 44 6.911 1.860 -7.640 1.00 0.00 C ATOM 699 CG LYS A 44 7.624 0.902 -8.580 1.00 0.00 C ATOM 700 CD LYS A 44 6.644 -0.036 -9.269 1.00 0.00 C ATOM 701 CE LYS A 44 6.410 0.365 -10.717 1.00 0.00 C ATOM 702 NZ LYS A 44 7.167 -0.500 -11.663 1.00 0.00 N ATOM 0 H LYS A 44 7.506 4.202 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 44 6.783 3.155 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.539 2.033 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.993 1.392 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.175 1.469 -9.330 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.356 0.319 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.027 -1.056 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.696 -0.031 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.345 0.305 -10.943 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.707 1.404 -10.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.980 -0.194 -12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.185 -0.423 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.865 -1.489 -11.547 1.00 0.00 H new ATOM 716 N LEU A 45 4.284 3.120 -9.089 1.00 0.00 N ATOM 717 CA LEU A 45 2.845 3.350 -9.041 1.00 0.00 C ATOM 718 C LEU A 45 2.079 2.061 -9.327 1.00 0.00 C ATOM 719 O LEU A 45 2.267 1.434 -10.369 1.00 0.00 O ATOM 720 CB LEU A 45 2.447 4.432 -10.049 1.00 0.00 C ATOM 721 CG LEU A 45 2.236 5.824 -9.453 1.00 0.00 C ATOM 722 CD1 LEU A 45 3.542 6.605 -9.444 1.00 0.00 C ATOM 723 CD2 LEU A 45 1.167 6.579 -10.228 1.00 0.00 C ATOM 0 H LEU A 45 4.607 2.643 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 45 2.588 3.688 -8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.219 4.495 -10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.528 4.123 -10.547 1.00 0.00 H new ATOM 0 HG LEU A 45 1.898 5.710 -8.423 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.372 7.593 -9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.280 6.072 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.910 6.710 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.030 7.568 -9.790 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.476 6.683 -11.268 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.227 6.028 -10.182 1.00 0.00 H new ATOM 735 N GLY A 46 1.216 1.672 -8.394 1.00 0.00 N ATOM 736 CA GLY A 46 0.437 0.461 -8.566 1.00 0.00 C ATOM 737 C GLY A 46 -0.620 0.291 -7.492 1.00 0.00 C ATOM 738 O GLY A 46 -0.529 0.892 -6.421 1.00 0.00 O ATOM 0 H GLY A 46 1.043 2.174 -7.523 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.044 0.478 -9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.104 -0.401 -8.554 1.00 0.00 H new ATOM 742 N LEU A 47 -1.624 -0.531 -7.779 1.00 0.00 N ATOM 743 CA LEU A 47 -2.703 -0.781 -6.831 1.00 0.00 C ATOM 744 C LEU A 47 -2.588 -2.180 -6.236 1.00 0.00 C ATOM 745 O LEU A 47 -1.902 -3.042 -6.784 1.00 0.00 O ATOM 746 CB LEU A 47 -4.060 -0.615 -7.516 1.00 0.00 C ATOM 747 CG LEU A 47 -4.342 -1.609 -8.644 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.072 -2.831 -8.109 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.149 -0.946 -9.750 1.00 0.00 C ATOM 0 H LEU A 47 -1.713 -1.035 -8.661 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.621 -0.054 -6.023 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.843 -0.710 -6.764 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.126 0.396 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.389 -1.934 -9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.264 -3.527 -8.926 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.458 -3.320 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.018 -2.524 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.340 -1.668 -10.544 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.097 -0.591 -9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.589 -0.103 -10.154 1.00 0.00 H new ATOM 761 N PHE A 48 -3.262 -2.400 -5.113 1.00 0.00 N ATOM 762 CA PHE A 48 -3.230 -3.698 -4.447 1.00 0.00 C ATOM 763 C PHE A 48 -4.325 -3.798 -3.388 1.00 0.00 C ATOM 764 O PHE A 48 -4.946 -2.798 -3.029 1.00 0.00 O ATOM 765 CB PHE A 48 -1.859 -3.944 -3.807 1.00 0.00 C ATOM 766 CG PHE A 48 -1.135 -2.688 -3.410 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.810 -1.649 -2.789 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.221 -2.547 -3.660 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.146 -0.494 -2.423 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.890 -1.394 -3.296 1.00 0.00 C ATOM 771 CZ PHE A 48 0.206 -0.366 -2.677 1.00 0.00 C ATOM 0 H PHE A 48 -3.836 -1.699 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.409 -4.463 -5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.989 -4.571 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.238 -4.503 -4.507 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.867 -1.743 -2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.761 -3.347 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.683 0.308 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.947 -1.297 -3.495 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.727 0.536 -2.392 1.00 0.00 H new ATOM 781 N PRO A 49 -4.577 -5.015 -2.875 1.00 0.00 N ATOM 782 CA PRO A 49 -5.605 -5.246 -1.853 1.00 0.00 C ATOM 783 C PRO A 49 -5.373 -4.413 -0.597 1.00 0.00 C ATOM 784 O PRO A 49 -4.306 -4.475 0.013 1.00 0.00 O ATOM 785 CB PRO A 49 -5.470 -6.739 -1.534 1.00 0.00 C ATOM 786 CG PRO A 49 -4.798 -7.328 -2.726 1.00 0.00 C ATOM 787 CD PRO A 49 -3.884 -6.259 -3.251 1.00 0.00 C ATOM 0 HA PRO A 49 -6.596 -4.961 -2.207 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.882 -6.898 -0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.445 -7.196 -1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.238 -8.223 -2.456 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.528 -7.623 -3.480 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.893 -6.320 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.751 -6.336 -4.330 1.00 0.00 H new ATOM 795 N SER A 50 -6.381 -3.637 -0.217 1.00 0.00 N ATOM 796 CA SER A 50 -6.296 -2.790 0.967 1.00 0.00 C ATOM 797 C SER A 50 -6.176 -3.627 2.239 1.00 0.00 C ATOM 798 O SER A 50 -5.745 -3.131 3.279 1.00 0.00 O ATOM 799 CB SER A 50 -7.522 -1.880 1.057 1.00 0.00 C ATOM 800 OG SER A 50 -7.642 -1.312 2.349 1.00 0.00 O ATOM 0 H SER A 50 -7.270 -3.577 -0.714 1.00 0.00 H new ATOM 0 HA SER A 50 -5.399 -2.177 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.445 -1.087 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.420 -2.451 0.823 1.00 0.00 H new ATOM 0 HG SER A 50 -8.432 -0.733 2.380 1.00 0.00 H new ATOM 806 N ASN A 51 -6.565 -4.896 2.152 1.00 0.00 N ATOM 807 CA ASN A 51 -6.506 -5.794 3.300 1.00 0.00 C ATOM 808 C ASN A 51 -5.070 -5.975 3.785 1.00 0.00 C ATOM 809 O ASN A 51 -4.836 -6.277 4.955 1.00 0.00 O ATOM 810 CB ASN A 51 -7.110 -7.153 2.939 1.00 0.00 C ATOM 811 CG ASN A 51 -8.101 -7.639 3.978 1.00 0.00 C ATOM 812 OD1 ASN A 51 -9.305 -7.415 3.857 1.00 0.00 O ATOM 813 ND2 ASN A 51 -7.597 -8.309 5.008 1.00 0.00 N ATOM 0 H ASN A 51 -6.924 -5.325 1.299 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.085 -5.346 4.108 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.608 -7.081 1.972 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.311 -7.886 2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.215 -8.661 5.739 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -6.592 -8.472 5.068 1.00 0.00 H new ATOM 820 N PHE A 52 -4.111 -5.788 2.884 1.00 0.00 N ATOM 821 CA PHE A 52 -2.702 -5.932 3.232 1.00 0.00 C ATOM 822 C PHE A 52 -2.209 -4.711 4.009 1.00 0.00 C ATOM 823 O PHE A 52 -2.195 -4.725 5.239 1.00 0.00 O ATOM 824 CB PHE A 52 -1.860 -6.139 1.969 1.00 0.00 C ATOM 825 CG PHE A 52 -1.419 -7.561 1.767 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.225 -8.012 2.305 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.199 -8.445 1.039 1.00 0.00 C ATOM 828 CE1 PHE A 52 0.184 -9.319 2.121 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.795 -9.754 0.852 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.602 -10.191 1.394 1.00 0.00 C ATOM 0 H PHE A 52 -4.283 -5.537 1.910 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.594 -6.809 3.870 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.437 -5.820 1.101 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.980 -5.498 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.393 -7.334 2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -3.132 -8.108 0.613 1.00 0.00 H new ATOM 0 HE1 PHE A 52 1.117 -9.658 2.545 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.411 -10.434 0.283 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.284 -11.213 1.249 1.00 0.00 H new ATOM 840 N VAL A 53 -1.802 -3.669 3.273 1.00 0.00 N ATOM 841 CA VAL A 53 -1.300 -2.410 3.848 1.00 0.00 C ATOM 842 C VAL A 53 -1.648 -2.232 5.325 1.00 0.00 C ATOM 843 O VAL A 53 -2.725 -2.623 5.775 1.00 0.00 O ATOM 844 CB VAL A 53 -1.832 -1.196 3.067 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.311 -1.212 1.638 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.353 -1.172 3.088 1.00 0.00 C ATOM 0 H VAL A 53 -1.811 -3.674 2.253 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.215 -2.470 3.767 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.471 -0.288 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.697 -0.346 1.100 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.222 -1.177 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.640 -2.124 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.711 -0.306 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.738 -2.083 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.702 -1.109 4.119 1.00 0.00 H new ATOM 856 N LYS A 54 -0.738 -1.611 6.070 1.00 0.00 N ATOM 857 CA LYS A 54 -0.960 -1.365 7.488 1.00 0.00 C ATOM 858 C LYS A 54 -0.860 0.121 7.815 1.00 0.00 C ATOM 859 O LYS A 54 0.177 0.747 7.600 1.00 0.00 O ATOM 860 CB LYS A 54 0.033 -2.156 8.342 1.00 0.00 C ATOM 861 CG LYS A 54 -0.577 -2.710 9.619 1.00 0.00 C ATOM 862 CD LYS A 54 0.407 -2.654 10.777 1.00 0.00 C ATOM 863 CE LYS A 54 -0.267 -2.983 12.099 1.00 0.00 C ATOM 864 NZ LYS A 54 0.547 -2.539 13.264 1.00 0.00 N ATOM 0 H LYS A 54 0.156 -1.271 5.716 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.970 -1.701 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.433 -2.980 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.874 -1.512 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.472 -2.141 9.873 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.890 -3.741 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.221 -3.356 10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.850 -1.660 10.831 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.245 -2.504 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.436 -4.058 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.052 -2.782 14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.471 -3.015 13.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.687 -1.509 13.218 1.00 0.00 H new ATOM 878 N GLU A 55 -1.947 0.678 8.340 1.00 0.00 N ATOM 879 CA GLU A 55 -1.987 2.090 8.701 1.00 0.00 C ATOM 880 C GLU A 55 -0.990 2.396 9.814 1.00 0.00 C ATOM 881 O GLU A 55 -0.875 1.645 10.783 1.00 0.00 O ATOM 882 CB GLU A 55 -3.398 2.484 9.144 1.00 0.00 C ATOM 883 CG GLU A 55 -3.802 3.886 8.717 1.00 0.00 C ATOM 884 CD GLU A 55 -4.919 4.455 9.569 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.899 3.725 9.829 1.00 0.00 O ATOM 886 OE2 GLU A 55 -4.815 5.632 9.976 1.00 0.00 O ATOM 0 H GLU A 55 -2.813 0.172 8.525 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.712 2.672 7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.111 1.769 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.462 2.411 10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.935 4.544 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.119 3.867 7.674 1.00 0.00 H new ATOM 893 N LEU A 56 -0.271 3.505 9.671 1.00 0.00 N ATOM 894 CA LEU A 56 0.716 3.910 10.665 1.00 0.00 C ATOM 895 C LEU A 56 0.038 4.306 11.973 1.00 0.00 C ATOM 896 O LEU A 56 -0.547 5.384 12.079 1.00 0.00 O ATOM 897 CB LEU A 56 1.555 5.076 10.138 1.00 0.00 C ATOM 898 CG LEU A 56 2.833 4.673 9.399 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.701 3.787 10.278 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.493 3.965 8.096 1.00 0.00 C ATOM 0 H LEU A 56 -0.354 4.139 8.876 1.00 0.00 H new ATOM 0 HA LEU A 56 1.371 3.060 10.858 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.938 5.673 9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.826 5.717 10.977 1.00 0.00 H new ATOM 0 HG LEU A 56 3.395 5.577 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.605 3.510 9.736 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.973 4.328 11.184 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.148 2.886 10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.413 3.685 7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.910 3.069 8.310 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.912 4.633 7.460 1.00 0.00 H new ATOM 912 N GLU A 57 0.120 3.427 12.967 1.00 0.00 N ATOM 913 CA GLU A 57 -0.485 3.684 14.268 1.00 0.00 C ATOM 914 C GLU A 57 0.563 3.630 15.375 1.00 0.00 C ATOM 915 O GLU A 57 0.886 2.558 15.886 1.00 0.00 O ATOM 916 CB GLU A 57 -1.594 2.667 14.548 1.00 0.00 C ATOM 917 CG GLU A 57 -2.806 3.265 15.246 1.00 0.00 C ATOM 918 CD GLU A 57 -3.141 2.557 16.545 1.00 0.00 C ATOM 919 OE1 GLU A 57 -2.342 2.658 17.499 1.00 0.00 O ATOM 920 OE2 GLU A 57 -4.202 1.901 16.607 1.00 0.00 O ATOM 0 H GLU A 57 0.600 2.530 12.896 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.916 4.685 14.250 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.912 2.220 13.606 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.191 1.862 15.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.620 4.320 15.449 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.666 3.216 14.578 1.00 0.00 H new ATOM 927 N LEU A 58 1.090 4.794 15.741 1.00 0.00 N ATOM 928 CA LEU A 58 2.101 4.881 16.787 1.00 0.00 C ATOM 929 C LEU A 58 1.868 6.103 17.669 1.00 0.00 C ATOM 930 O LEU A 58 1.741 7.223 17.173 1.00 0.00 O ATOM 931 CB LEU A 58 3.500 4.943 16.171 1.00 0.00 C ATOM 932 CG LEU A 58 3.838 3.797 15.213 1.00 0.00 C ATOM 933 CD1 LEU A 58 3.712 4.254 13.768 1.00 0.00 C ATOM 934 CD2 LEU A 58 5.239 3.269 15.485 1.00 0.00 C ATOM 0 H LEU A 58 0.833 5.690 15.328 1.00 0.00 H new ATOM 0 HA LEU A 58 2.023 3.987 17.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.603 5.887 15.635 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.235 4.952 16.976 1.00 0.00 H new ATOM 0 HG LEU A 58 3.127 2.988 15.381 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.956 3.426 13.102 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.690 4.583 13.578 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.399 5.080 13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.462 2.455 14.795 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.964 4.071 15.346 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.297 2.902 16.510 1.00 0.00 H new ATOM 946 N GLU A 59 1.813 5.881 18.978 1.00 0.00 N ATOM 947 CA GLU A 59 1.595 6.965 19.928 1.00 0.00 C ATOM 948 C GLU A 59 2.918 7.600 20.344 1.00 0.00 C ATOM 949 O GLU A 59 3.771 6.946 20.943 1.00 0.00 O ATOM 950 CB GLU A 59 0.854 6.448 21.163 1.00 0.00 C ATOM 951 CG GLU A 59 1.627 5.394 21.940 1.00 0.00 C ATOM 952 CD GLU A 59 2.133 5.907 23.274 1.00 0.00 C ATOM 953 OE1 GLU A 59 1.456 6.767 23.875 1.00 0.00 O ATOM 954 OE2 GLU A 59 3.206 5.448 23.718 1.00 0.00 O ATOM 0 H GLU A 59 1.916 4.960 19.405 1.00 0.00 H new ATOM 0 HA GLU A 59 0.986 7.725 19.439 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.636 7.287 21.823 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.104 6.029 20.853 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.986 4.528 22.107 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.472 5.054 21.342 1.00 0.00 H new ATOM 961 N HIS A 60 3.082 8.880 20.023 1.00 0.00 N ATOM 962 CA HIS A 60 4.301 9.604 20.364 1.00 0.00 C ATOM 963 C HIS A 60 4.374 9.867 21.864 1.00 0.00 C ATOM 964 O HIS A 60 5.482 10.165 22.359 1.00 0.00 O ATOM 965 CB HIS A 60 4.366 10.927 19.599 1.00 0.00 C ATOM 966 CG HIS A 60 4.473 10.757 18.115 1.00 0.00 C ATOM 967 ND1 HIS A 60 5.581 10.218 17.497 1.00 0.00 N ATOM 968 CD2 HIS A 60 3.602 11.061 17.124 1.00 0.00 C ATOM 969 CE1 HIS A 60 5.388 10.198 16.190 1.00 0.00 C ATOM 970 NE2 HIS A 60 4.194 10.703 15.938 1.00 0.00 N ATOM 0 H HIS A 60 2.386 9.437 19.527 1.00 0.00 H new ATOM 0 HA HIS A 60 5.152 8.986 20.079 1.00 0.00 H new ATOM 0 HB2 HIS A 60 3.475 11.512 19.826 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.223 11.500 19.953 1.00 0.00 H new ATOM 0 HD2 HIS A 60 2.624 11.503 17.244 1.00 0.00 H new ATOM 0 HE1 HIS A 60 6.087 9.831 15.453 1.00 0.00 H new ATOM 0 HE2 HIS A 60 3.779 10.810 15.012 1.00 0.00 H new TER 979 HIS A 60