USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 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 Set 1.1: A 29 ASN : amide:sc= 0 X(o=-0.096,f=-0.096) USER MOD Set 1.2: A 40 THR OG1 : rot -170:sc= -0.0963 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.052 (180deg=-0.22) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 CYS SG : rot -2:sc= -3.9 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -134:sc= 1.27 USER MOD Single : A 13 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.83) USER MOD Single : A 14 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0278 X(o=-0.028,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.506 K(o=-0.51,f=-1.7!) USER MOD Single : A 44 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0163) USER MOD Single : A 50 SER OG : rot 132:sc= 1.56 USER MOD Single : A 51 ASN : amide:sc= -0.216 K(o=-0.22,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ -145:sc= 1.23 (180deg=0.719) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.712 13.525 4.987 1.00 0.00 N ATOM 2 CA MET A 1 -1.901 13.408 5.872 1.00 0.00 C ATOM 3 C MET A 1 -2.682 12.130 5.580 1.00 0.00 C ATOM 4 O MET A 1 -3.899 12.081 5.754 1.00 0.00 O ATOM 5 CB MET A 1 -2.793 14.632 5.655 1.00 0.00 C ATOM 6 CG MET A 1 -2.560 15.742 6.667 1.00 0.00 C ATOM 7 SD MET A 1 -3.337 17.296 6.186 1.00 0.00 S ATOM 8 CE MET A 1 -4.327 17.645 7.637 1.00 0.00 C ATOM 0 H1 MET A 1 -0.317 14.484 5.061 1.00 0.00 H new ATOM 0 H2 MET A 1 0.007 12.832 5.278 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.992 13.341 4.003 1.00 0.00 H new ATOM 0 HA MET A 1 -1.571 13.362 6.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.621 15.024 4.653 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.837 14.323 5.701 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.948 15.431 7.637 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.488 15.899 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.869 18.579 7.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.038 16.834 7.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.677 17.734 8.508 1.00 0.00 H new ATOM 20 N ARG A 2 -1.972 11.098 5.136 1.00 0.00 N ATOM 21 CA ARG A 2 -2.597 9.818 4.819 1.00 0.00 C ATOM 22 C ARG A 2 -1.549 8.793 4.396 1.00 0.00 C ATOM 23 O ARG A 2 -1.263 8.637 3.209 1.00 0.00 O ATOM 24 CB ARG A 2 -3.636 9.995 3.708 1.00 0.00 C ATOM 25 CG ARG A 2 -5.067 9.779 4.174 1.00 0.00 C ATOM 26 CD ARG A 2 -5.921 9.161 3.079 1.00 0.00 C ATOM 27 NE ARG A 2 -6.532 10.174 2.222 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.025 9.923 1.011 1.00 0.00 C ATOM 29 NH1 ARG A 2 -6.980 8.695 0.511 1.00 0.00 N ATOM 30 NH2 ARG A 2 -7.564 10.903 0.299 1.00 0.00 N ATOM 0 H ARG A 2 -0.963 11.123 4.987 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.096 9.451 5.716 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.545 10.999 3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.416 9.296 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -5.072 9.131 5.050 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.499 10.732 4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.306 8.496 2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.702 8.549 3.531 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.584 11.131 2.572 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.566 7.938 1.055 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.359 8.508 -0.417 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.601 11.849 0.679 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.942 10.711 -0.629 1.00 0.00 H new ATOM 44 N GLN A 3 -0.979 8.097 5.375 1.00 0.00 N ATOM 45 CA GLN A 3 0.038 7.089 5.100 1.00 0.00 C ATOM 46 C GLN A 3 -0.161 5.857 5.978 1.00 0.00 C ATOM 47 O GLN A 3 -0.604 5.961 7.121 1.00 0.00 O ATOM 48 CB GLN A 3 1.435 7.670 5.327 1.00 0.00 C ATOM 49 CG GLN A 3 1.902 8.585 4.207 1.00 0.00 C ATOM 50 CD GLN A 3 2.978 9.554 4.656 1.00 0.00 C ATOM 51 OE1 GLN A 3 2.688 10.579 5.274 1.00 0.00 O ATOM 52 NE2 GLN A 3 4.229 9.235 4.347 1.00 0.00 N ATOM 0 H GLN A 3 -1.204 8.212 6.363 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.059 6.788 4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.441 8.225 6.265 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.146 6.852 5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.283 7.980 3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.050 9.146 3.822 1.00 0.00 H new ATOM 0 HE21 GLN A 3 4.424 8.375 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.995 9.849 4.623 1.00 0.00 H new ATOM 61 N CYS A 4 0.171 4.692 5.432 1.00 0.00 N ATOM 62 CA CYS A 4 0.032 3.436 6.161 1.00 0.00 C ATOM 63 C CYS A 4 1.157 2.473 5.796 1.00 0.00 C ATOM 64 O CYS A 4 1.667 2.498 4.676 1.00 0.00 O ATOM 65 CB CYS A 4 -1.323 2.796 5.858 1.00 0.00 C ATOM 66 SG CYS A 4 -2.742 3.820 6.315 1.00 0.00 S ATOM 0 H CYS A 4 0.539 4.591 4.486 1.00 0.00 H new ATOM 0 HA CYS A 4 0.093 3.651 7.228 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.377 2.573 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.390 1.845 6.386 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.323 4.920 6.867 1.00 0.00 H new ATOM 72 N LYS A 5 1.543 1.626 6.746 1.00 0.00 N ATOM 73 CA LYS A 5 2.611 0.661 6.514 1.00 0.00 C ATOM 74 C LYS A 5 2.102 -0.777 6.624 1.00 0.00 C ATOM 75 O LYS A 5 1.507 -1.169 7.626 1.00 0.00 O ATOM 76 CB LYS A 5 3.748 0.889 7.514 1.00 0.00 C ATOM 77 CG LYS A 5 4.876 -0.126 7.404 1.00 0.00 C ATOM 78 CD LYS A 5 5.154 -0.800 8.739 1.00 0.00 C ATOM 79 CE LYS A 5 5.820 0.155 9.716 1.00 0.00 C ATOM 80 NZ LYS A 5 6.576 -0.571 10.773 1.00 0.00 N ATOM 0 H LYS A 5 1.134 1.589 7.680 1.00 0.00 H new ATOM 0 HA LYS A 5 2.981 0.810 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.156 1.889 7.364 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.342 0.858 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.616 -0.881 6.662 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.780 0.370 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.220 -1.165 9.165 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.794 -1.668 8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.497 0.815 9.174 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.062 0.786 10.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.015 0.115 11.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.926 -1.182 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.316 -1.154 10.332 1.00 0.00 H new ATOM 94 N VAL A 6 2.359 -1.552 5.580 1.00 0.00 N ATOM 95 CA VAL A 6 1.955 -2.954 5.516 1.00 0.00 C ATOM 96 C VAL A 6 2.751 -3.804 6.503 1.00 0.00 C ATOM 97 O VAL A 6 3.939 -3.567 6.722 1.00 0.00 O ATOM 98 CB VAL A 6 2.156 -3.539 4.101 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.329 -4.802 3.925 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.816 -2.515 3.023 1.00 0.00 C ATOM 0 H VAL A 6 2.855 -1.228 4.750 1.00 0.00 H new ATOM 0 HA VAL A 6 0.896 -2.982 5.774 1.00 0.00 H new ATOM 0 HB VAL A 6 3.209 -3.796 3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.483 -5.201 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.637 -5.544 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.274 -4.568 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.968 -2.958 2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.775 -2.210 3.126 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.462 -1.644 3.132 1.00 0.00 H new ATOM 110 N LEU A 7 2.093 -4.800 7.088 1.00 0.00 N ATOM 111 CA LEU A 7 2.747 -5.690 8.043 1.00 0.00 C ATOM 112 C LEU A 7 3.324 -6.913 7.336 1.00 0.00 C ATOM 113 O LEU A 7 4.301 -7.504 7.796 1.00 0.00 O ATOM 114 CB LEU A 7 1.761 -6.135 9.125 1.00 0.00 C ATOM 115 CG LEU A 7 0.776 -5.062 9.588 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.476 -5.703 10.167 1.00 0.00 C ATOM 117 CD2 LEU A 7 1.431 -4.144 10.610 1.00 0.00 C ATOM 0 H LEU A 7 1.110 -5.011 6.919 1.00 0.00 H new ATOM 0 HA LEU A 7 3.562 -5.139 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.195 -6.988 8.750 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.327 -6.483 9.989 1.00 0.00 H new ATOM 0 HG LEU A 7 0.486 -4.463 8.725 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.166 -4.925 10.492 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.955 -6.318 9.406 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.205 -6.326 11.019 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.716 -3.386 10.929 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.749 -4.729 11.473 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.298 -3.659 10.161 1.00 0.00 H new ATOM 129 N PHE A 8 2.715 -7.287 6.214 1.00 0.00 N ATOM 130 CA PHE A 8 3.169 -8.439 5.442 1.00 0.00 C ATOM 131 C PHE A 8 3.655 -8.008 4.061 1.00 0.00 C ATOM 132 O PHE A 8 3.613 -6.826 3.720 1.00 0.00 O ATOM 133 CB PHE A 8 2.042 -9.466 5.305 1.00 0.00 C ATOM 134 CG PHE A 8 2.348 -10.785 5.956 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.026 -11.009 7.285 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.958 -11.802 5.238 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.306 -12.221 7.886 1.00 0.00 C ATOM 138 CE2 PHE A 8 3.241 -13.016 5.834 1.00 0.00 C ATOM 139 CZ PHE A 8 2.914 -13.226 7.159 1.00 0.00 C ATOM 0 H PHE A 8 1.905 -6.808 5.819 1.00 0.00 H new ATOM 0 HA PHE A 8 4.002 -8.898 5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.133 -9.056 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.839 -9.631 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.550 -10.227 7.858 1.00 0.00 H new ATOM 0 HD2 PHE A 8 3.215 -11.644 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.050 -12.383 8.923 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.718 -13.800 5.264 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.133 -14.175 7.626 1.00 0.00 H new ATOM 149 N GLU A 9 4.117 -8.972 3.272 1.00 0.00 N ATOM 150 CA GLU A 9 4.611 -8.688 1.928 1.00 0.00 C ATOM 151 C GLU A 9 3.635 -9.191 0.870 1.00 0.00 C ATOM 152 O GLU A 9 2.933 -10.181 1.077 1.00 0.00 O ATOM 153 CB GLU A 9 5.983 -9.332 1.720 1.00 0.00 C ATOM 154 CG GLU A 9 6.858 -8.588 0.722 1.00 0.00 C ATOM 155 CD GLU A 9 7.336 -9.475 -0.412 1.00 0.00 C ATOM 156 OE1 GLU A 9 7.929 -10.536 -0.126 1.00 0.00 O ATOM 157 OE2 GLU A 9 7.117 -9.107 -1.585 1.00 0.00 O ATOM 0 H GLU A 9 4.160 -9.956 3.539 1.00 0.00 H new ATOM 0 HA GLU A 9 4.704 -7.607 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.501 -9.383 2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.846 -10.358 1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.299 -7.748 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.721 -8.172 1.241 1.00 0.00 H new ATOM 164 N TYR A 10 3.596 -8.502 -0.266 1.00 0.00 N ATOM 165 CA TYR A 10 2.708 -8.876 -1.360 1.00 0.00 C ATOM 166 C TYR A 10 3.483 -9.010 -2.667 1.00 0.00 C ATOM 167 O TYR A 10 4.421 -8.255 -2.924 1.00 0.00 O ATOM 168 CB TYR A 10 1.594 -7.840 -1.519 1.00 0.00 C ATOM 169 CG TYR A 10 0.599 -8.179 -2.606 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.270 -9.254 -2.468 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.528 -7.423 -3.769 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.181 -9.566 -3.460 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.380 -7.728 -4.765 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.232 -8.800 -4.605 1.00 0.00 C ATOM 175 OH TYR A 10 -2.138 -9.107 -5.595 1.00 0.00 O ATOM 0 H TYR A 10 4.170 -7.680 -0.453 1.00 0.00 H new ATOM 0 HA TYR A 10 2.264 -9.842 -1.120 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.064 -7.741 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.041 -6.870 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.233 -9.855 -1.572 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.194 -6.582 -3.897 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.849 -10.406 -3.339 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.422 -7.130 -5.663 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.690 -9.088 -6.466 1.00 0.00 H new ATOM 185 N ILE A 11 3.085 -9.975 -3.489 1.00 0.00 N ATOM 186 CA ILE A 11 3.742 -10.207 -4.770 1.00 0.00 C ATOM 187 C ILE A 11 2.777 -9.976 -5.933 1.00 0.00 C ATOM 188 O ILE A 11 1.741 -10.634 -6.027 1.00 0.00 O ATOM 189 CB ILE A 11 4.306 -11.640 -4.857 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.095 -11.826 -6.155 1.00 0.00 C ATOM 191 CG2 ILE A 11 3.183 -12.664 -4.761 1.00 0.00 C ATOM 192 CD1 ILE A 11 5.887 -13.114 -6.202 1.00 0.00 C ATOM 0 H ILE A 11 2.311 -10.609 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 11 4.565 -9.496 -4.840 1.00 0.00 H new ATOM 0 HB ILE A 11 4.983 -11.796 -4.017 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.404 -11.803 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.777 -10.985 -6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.601 -13.669 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.663 -12.546 -3.810 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.480 -12.511 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.421 -13.179 -7.150 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.603 -13.131 -5.380 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.208 -13.962 -6.109 1.00 0.00 H new ATOM 204 N PRO A 12 3.101 -9.034 -6.839 1.00 0.00 N ATOM 205 CA PRO A 12 2.250 -8.728 -7.993 1.00 0.00 C ATOM 206 C PRO A 12 2.312 -9.812 -9.064 1.00 0.00 C ATOM 207 O PRO A 12 3.361 -10.414 -9.293 1.00 0.00 O ATOM 208 CB PRO A 12 2.836 -7.419 -8.523 1.00 0.00 C ATOM 209 CG PRO A 12 4.270 -7.463 -8.126 1.00 0.00 C ATOM 210 CD PRO A 12 4.316 -8.195 -6.811 1.00 0.00 C ATOM 0 HA PRO A 12 1.197 -8.662 -7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.726 -7.345 -9.605 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.331 -6.555 -8.091 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.867 -7.977 -8.879 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.678 -6.457 -8.027 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.219 -8.799 -6.720 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.308 -7.505 -5.967 1.00 0.00 H new ATOM 218 N GLN A 13 1.180 -10.057 -9.718 1.00 0.00 N ATOM 219 CA GLN A 13 1.105 -11.069 -10.766 1.00 0.00 C ATOM 220 C GLN A 13 0.833 -10.426 -12.123 1.00 0.00 C ATOM 221 O GLN A 13 1.361 -10.864 -13.145 1.00 0.00 O ATOM 222 CB GLN A 13 0.012 -12.091 -10.440 1.00 0.00 C ATOM 223 CG GLN A 13 0.554 -13.450 -10.025 1.00 0.00 C ATOM 224 CD GLN A 13 0.304 -13.757 -8.562 1.00 0.00 C ATOM 225 OE1 GLN A 13 0.200 -12.851 -7.734 1.00 0.00 O ATOM 226 NE2 GLN A 13 0.205 -15.040 -8.234 1.00 0.00 N ATOM 0 H GLN A 13 0.302 -9.568 -9.540 1.00 0.00 H new ATOM 0 HA GLN A 13 2.066 -11.581 -10.814 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.614 -11.698 -9.638 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.629 -12.216 -11.313 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.092 -14.224 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.626 -13.485 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.298 -15.759 -8.952 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.036 -15.307 -7.264 1.00 0.00 H new ATOM 235 N ASN A 14 0.005 -9.387 -12.124 1.00 0.00 N ATOM 236 CA ASN A 14 -0.338 -8.685 -13.355 1.00 0.00 C ATOM 237 C ASN A 14 0.478 -7.404 -13.497 1.00 0.00 C ATOM 238 O ASN A 14 1.109 -6.949 -12.543 1.00 0.00 O ATOM 239 CB ASN A 14 -1.832 -8.358 -13.381 1.00 0.00 C ATOM 240 CG ASN A 14 -2.399 -8.354 -14.788 1.00 0.00 C ATOM 241 OD1 ASN A 14 -2.798 -7.311 -15.306 1.00 0.00 O ATOM 242 ND2 ASN A 14 -2.438 -9.525 -15.414 1.00 0.00 N ATOM 0 H ASN A 14 -0.441 -9.013 -11.286 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.102 -9.339 -14.194 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.371 -9.088 -12.777 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.996 -7.382 -12.924 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -2.809 -9.584 -16.362 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.096 -10.365 -14.947 1.00 0.00 H new ATOM 249 N GLU A 15 0.460 -6.826 -14.694 1.00 0.00 N ATOM 250 CA GLU A 15 1.198 -5.597 -14.961 1.00 0.00 C ATOM 251 C GLU A 15 0.651 -4.439 -14.133 1.00 0.00 C ATOM 252 O GLU A 15 1.380 -3.508 -13.793 1.00 0.00 O ATOM 253 CB GLU A 15 1.131 -5.252 -16.450 1.00 0.00 C ATOM 254 CG GLU A 15 1.562 -6.391 -17.359 1.00 0.00 C ATOM 255 CD GLU A 15 2.958 -6.195 -17.916 1.00 0.00 C ATOM 256 OE1 GLU A 15 3.877 -5.894 -17.125 1.00 0.00 O ATOM 257 OE2 GLU A 15 3.133 -6.341 -19.144 1.00 0.00 O ATOM 0 H GLU A 15 -0.058 -7.189 -15.494 1.00 0.00 H new ATOM 0 HA GLU A 15 2.238 -5.760 -14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.110 -4.964 -16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.764 -4.386 -16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 15 1.524 -7.328 -16.804 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.855 -6.480 -18.184 1.00 0.00 H new ATOM 264 N ASP A 16 -0.638 -4.502 -13.812 1.00 0.00 N ATOM 265 CA ASP A 16 -1.281 -3.457 -13.024 1.00 0.00 C ATOM 266 C ASP A 16 -1.291 -3.819 -11.541 1.00 0.00 C ATOM 267 O ASP A 16 -2.299 -3.649 -10.856 1.00 0.00 O ATOM 268 CB ASP A 16 -2.712 -3.228 -13.516 1.00 0.00 C ATOM 269 CG ASP A 16 -2.776 -2.249 -14.672 1.00 0.00 C ATOM 270 OD1 ASP A 16 -1.834 -1.442 -14.819 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.767 -2.290 -15.430 1.00 0.00 O ATOM 0 H ASP A 16 -1.257 -5.265 -14.085 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.709 -2.538 -13.149 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.144 -4.180 -13.825 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.321 -2.854 -12.693 1.00 0.00 H new ATOM 276 N GLU A 17 -0.161 -4.319 -11.052 1.00 0.00 N ATOM 277 CA GLU A 17 -0.038 -4.704 -9.651 1.00 0.00 C ATOM 278 C GLU A 17 1.313 -4.276 -9.086 1.00 0.00 C ATOM 279 O GLU A 17 2.353 -4.490 -9.709 1.00 0.00 O ATOM 280 CB GLU A 17 -0.214 -6.217 -9.499 1.00 0.00 C ATOM 281 CG GLU A 17 -1.634 -6.632 -9.155 1.00 0.00 C ATOM 282 CD GLU A 17 -1.798 -8.137 -9.072 1.00 0.00 C ATOM 283 OE1 GLU A 17 -1.224 -8.746 -8.145 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.499 -8.706 -9.934 1.00 0.00 O ATOM 0 H GLU A 17 0.683 -4.467 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.822 -4.197 -9.089 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.083 -6.704 -10.428 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.459 -6.576 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.918 -6.186 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.316 -6.237 -9.908 1.00 0.00 H new ATOM 291 N LEU A 18 1.289 -3.672 -7.903 1.00 0.00 N ATOM 292 CA LEU A 18 2.512 -3.214 -7.254 1.00 0.00 C ATOM 293 C LEU A 18 2.989 -4.228 -6.219 1.00 0.00 C ATOM 294 O LEU A 18 2.226 -5.091 -5.784 1.00 0.00 O ATOM 295 CB LEU A 18 2.283 -1.855 -6.589 1.00 0.00 C ATOM 296 CG LEU A 18 3.465 -0.887 -6.670 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.716 -0.469 -8.111 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.214 0.331 -5.794 1.00 0.00 C ATOM 0 H LEU A 18 0.436 -3.488 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 18 3.284 -3.110 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.415 -1.384 -7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.038 -2.018 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 18 4.355 -1.397 -6.303 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.560 0.219 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.940 -1.351 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.828 0.024 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.064 1.010 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.313 0.843 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.085 0.014 -4.759 1.00 0.00 H new ATOM 310 N GLU A 19 4.254 -4.118 -5.830 1.00 0.00 N ATOM 311 CA GLU A 19 4.832 -5.027 -4.846 1.00 0.00 C ATOM 312 C GLU A 19 4.992 -4.337 -3.495 1.00 0.00 C ATOM 313 O GLU A 19 5.864 -3.485 -3.321 1.00 0.00 O ATOM 314 CB GLU A 19 6.188 -5.542 -5.333 1.00 0.00 C ATOM 315 CG GLU A 19 6.595 -6.866 -4.708 1.00 0.00 C ATOM 316 CD GLU A 19 7.599 -7.625 -5.554 1.00 0.00 C ATOM 317 OE1 GLU A 19 7.484 -7.577 -6.797 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.499 -8.269 -4.974 1.00 0.00 O ATOM 0 H GLU A 19 4.899 -3.409 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 19 4.153 -5.871 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.156 -5.656 -6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.951 -4.796 -5.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.021 -6.682 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.708 -7.483 -4.562 1.00 0.00 H new ATOM 325 N LEU A 20 4.146 -4.712 -2.542 1.00 0.00 N ATOM 326 CA LEU A 20 4.195 -4.130 -1.205 1.00 0.00 C ATOM 327 C LEU A 20 5.136 -4.922 -0.302 1.00 0.00 C ATOM 328 O LEU A 20 4.827 -6.042 0.102 1.00 0.00 O ATOM 329 CB LEU A 20 2.794 -4.091 -0.592 1.00 0.00 C ATOM 330 CG LEU A 20 1.855 -3.040 -1.187 1.00 0.00 C ATOM 331 CD1 LEU A 20 0.403 -3.425 -0.949 1.00 0.00 C ATOM 332 CD2 LEU A 20 2.149 -1.669 -0.595 1.00 0.00 C ATOM 0 H LEU A 20 3.419 -5.416 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 20 4.575 -3.112 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.336 -5.073 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.887 -3.908 0.478 1.00 0.00 H new ATOM 0 HG LEU A 20 2.025 -2.995 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.250 -2.666 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.200 -4.387 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.217 -3.499 0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.472 -0.933 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.006 -1.701 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.179 -1.390 -0.817 1.00 0.00 H new ATOM 344 N LYS A 21 6.285 -4.331 0.009 1.00 0.00 N ATOM 345 CA LYS A 21 7.271 -4.982 0.864 1.00 0.00 C ATOM 346 C LYS A 21 6.960 -4.736 2.337 1.00 0.00 C ATOM 347 O LYS A 21 6.575 -3.633 2.725 1.00 0.00 O ATOM 348 CB LYS A 21 8.677 -4.476 0.530 1.00 0.00 C ATOM 349 CG LYS A 21 9.640 -5.582 0.127 1.00 0.00 C ATOM 350 CD LYS A 21 10.447 -5.201 -1.106 1.00 0.00 C ATOM 351 CE LYS A 21 11.868 -4.801 -0.742 1.00 0.00 C ATOM 352 NZ LYS A 21 12.289 -3.554 -1.438 1.00 0.00 N ATOM 0 H LYS A 21 6.556 -3.404 -0.318 1.00 0.00 H new ATOM 0 HA LYS A 21 7.227 -6.055 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.610 -3.750 -0.280 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.081 -3.951 1.396 1.00 0.00 H new ATOM 0 HG2 LYS A 21 10.317 -5.795 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.082 -6.497 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.471 -6.041 -1.800 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.957 -4.375 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.940 -4.657 0.336 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.551 -5.610 -1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.263 -3.315 -1.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.245 -3.699 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.653 -2.776 -1.171 1.00 0.00 H new ATOM 366 N VAL A 22 7.130 -5.771 3.153 1.00 0.00 N ATOM 367 CA VAL A 22 6.868 -5.669 4.584 1.00 0.00 C ATOM 368 C VAL A 22 7.741 -4.595 5.227 1.00 0.00 C ATOM 369 O VAL A 22 8.959 -4.584 5.050 1.00 0.00 O ATOM 370 CB VAL A 22 7.114 -7.015 5.296 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.556 -7.462 5.115 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.761 -6.914 6.773 1.00 0.00 C ATOM 0 H VAL A 22 7.448 -6.691 2.847 1.00 0.00 H new ATOM 0 HA VAL A 22 5.819 -5.394 4.697 1.00 0.00 H new ATOM 0 HB VAL A 22 6.466 -7.765 4.843 1.00 0.00 H new ATOM 0 HG11 VAL A 22 8.709 -8.413 5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.769 -7.581 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.225 -6.712 5.538 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.942 -7.874 7.257 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.379 -6.149 7.243 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.710 -6.647 6.878 1.00 0.00 H new ATOM 382 N GLY A 23 7.110 -3.695 5.974 1.00 0.00 N ATOM 383 CA GLY A 23 7.847 -2.632 6.631 1.00 0.00 C ATOM 384 C GLY A 23 7.991 -1.393 5.766 1.00 0.00 C ATOM 385 O GLY A 23 8.503 -0.370 6.221 1.00 0.00 O ATOM 0 H GLY A 23 6.103 -3.683 6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.341 -2.365 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.838 -2.997 6.902 1.00 0.00 H new ATOM 389 N ASP A 24 7.544 -1.481 4.516 1.00 0.00 N ATOM 390 CA ASP A 24 7.635 -0.355 3.593 1.00 0.00 C ATOM 391 C ASP A 24 6.455 0.594 3.769 1.00 0.00 C ATOM 392 O ASP A 24 5.331 0.163 4.027 1.00 0.00 O ATOM 393 CB ASP A 24 7.690 -0.857 2.149 1.00 0.00 C ATOM 394 CG ASP A 24 8.630 -0.036 1.287 1.00 0.00 C ATOM 395 OD1 ASP A 24 8.851 1.149 1.613 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.146 -0.580 0.288 1.00 0.00 O ATOM 0 H ASP A 24 7.116 -2.318 4.120 1.00 0.00 H new ATOM 0 HA ASP A 24 8.551 0.191 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.011 -1.899 2.141 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.689 -0.829 1.719 1.00 0.00 H new ATOM 401 N ILE A 25 6.719 1.889 3.627 1.00 0.00 N ATOM 402 CA ILE A 25 5.679 2.902 3.768 1.00 0.00 C ATOM 403 C ILE A 25 5.110 3.292 2.408 1.00 0.00 C ATOM 404 O ILE A 25 5.855 3.626 1.487 1.00 0.00 O ATOM 405 CB ILE A 25 6.212 4.167 4.469 1.00 0.00 C ATOM 406 CG1 ILE A 25 7.058 3.788 5.687 1.00 0.00 C ATOM 407 CG2 ILE A 25 5.059 5.071 4.879 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.316 2.942 6.699 1.00 0.00 C ATOM 0 H ILE A 25 7.644 2.262 3.414 1.00 0.00 H new ATOM 0 HA ILE A 25 4.892 2.463 4.381 1.00 0.00 H new ATOM 0 HB ILE A 25 6.845 4.711 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.942 3.246 5.351 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.408 4.698 6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.451 5.960 5.373 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.496 5.366 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.403 4.535 5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.977 2.711 7.535 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.447 3.490 7.064 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.989 2.015 6.228 1.00 0.00 H new ATOM 420 N ILE A 26 3.788 3.244 2.287 1.00 0.00 N ATOM 421 CA ILE A 26 3.123 3.590 1.036 1.00 0.00 C ATOM 422 C ILE A 26 2.013 4.610 1.262 1.00 0.00 C ATOM 423 O ILE A 26 1.144 4.420 2.113 1.00 0.00 O ATOM 424 CB ILE A 26 2.527 2.344 0.355 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.560 1.218 0.304 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.040 2.688 -1.045 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.633 0.406 1.580 1.00 0.00 C ATOM 0 H ILE A 26 3.156 2.969 3.039 1.00 0.00 H new ATOM 0 HA ILE A 26 3.883 4.025 0.386 1.00 0.00 H new ATOM 0 HB ILE A 26 1.675 2.001 0.942 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.321 0.554 -0.527 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.541 1.645 0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.621 1.797 -1.514 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.273 3.460 -0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.876 3.053 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.386 -0.374 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.902 1.058 2.411 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.663 -0.051 1.777 1.00 0.00 H new ATOM 439 N ASP A 27 2.048 5.693 0.492 1.00 0.00 N ATOM 440 CA ASP A 27 1.043 6.744 0.605 1.00 0.00 C ATOM 441 C ASP A 27 -0.052 6.562 -0.442 1.00 0.00 C ATOM 442 O ASP A 27 0.225 6.503 -1.640 1.00 0.00 O ATOM 443 CB ASP A 27 1.694 8.119 0.445 1.00 0.00 C ATOM 444 CG ASP A 27 0.706 9.252 0.643 1.00 0.00 C ATOM 445 OD1 ASP A 27 -0.112 9.493 -0.270 1.00 0.00 O ATOM 446 OD2 ASP A 27 0.751 9.899 1.710 1.00 0.00 O ATOM 0 H ASP A 27 2.761 5.866 -0.217 1.00 0.00 H new ATOM 0 HA ASP A 27 0.591 6.677 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.507 8.219 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.136 8.195 -0.548 1.00 0.00 H new ATOM 451 N ILE A 28 -1.295 6.473 0.019 1.00 0.00 N ATOM 452 CA ILE A 28 -2.431 6.297 -0.878 1.00 0.00 C ATOM 453 C ILE A 28 -2.798 7.607 -1.566 1.00 0.00 C ATOM 454 O ILE A 28 -3.029 8.622 -0.909 1.00 0.00 O ATOM 455 CB ILE A 28 -3.665 5.764 -0.124 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.282 4.556 0.733 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.770 5.399 -1.104 1.00 0.00 C ATOM 458 CD1 ILE A 28 -2.950 4.913 2.166 1.00 0.00 C ATOM 0 H ILE A 28 -1.541 6.520 1.008 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.129 5.567 -1.629 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.038 6.549 0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.104 3.841 0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.423 4.059 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.634 5.024 -0.555 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.057 6.283 -1.674 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.411 4.628 -1.786 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.688 4.009 2.715 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.108 5.605 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.815 5.383 2.634 1.00 0.00 H new ATOM 470 N ASN A 29 -2.852 7.577 -2.894 1.00 0.00 N ATOM 471 CA ASN A 29 -3.192 8.763 -3.673 1.00 0.00 C ATOM 472 C ASN A 29 -4.682 8.790 -3.997 1.00 0.00 C ATOM 473 O ASN A 29 -5.284 9.859 -4.109 1.00 0.00 O ATOM 474 CB ASN A 29 -2.372 8.801 -4.966 1.00 0.00 C ATOM 475 CG ASN A 29 -1.632 10.112 -5.142 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.236 11.144 -5.437 1.00 0.00 O ATOM 477 ND2 ASN A 29 -0.317 10.079 -4.962 1.00 0.00 N ATOM 0 H ASN A 29 -2.665 6.745 -3.453 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.954 9.643 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.655 7.980 -4.963 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.034 8.643 -5.818 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.234 10.931 -5.067 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.143 9.202 -4.718 1.00 0.00 H new ATOM 484 N GLU A 30 -5.272 7.609 -4.146 1.00 0.00 N ATOM 485 CA GLU A 30 -6.692 7.496 -4.457 1.00 0.00 C ATOM 486 C GLU A 30 -7.180 6.065 -4.259 1.00 0.00 C ATOM 487 O GLU A 30 -6.544 5.113 -4.711 1.00 0.00 O ATOM 488 CB GLU A 30 -6.958 7.943 -5.896 1.00 0.00 C ATOM 489 CG GLU A 30 -8.320 8.588 -6.091 1.00 0.00 C ATOM 490 CD GLU A 30 -8.424 9.944 -5.420 1.00 0.00 C ATOM 491 OE1 GLU A 30 -7.730 10.882 -5.865 1.00 0.00 O ATOM 492 OE2 GLU A 30 -9.201 10.068 -4.450 1.00 0.00 O ATOM 0 H GLU A 30 -4.788 6.716 -4.056 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.240 8.146 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.184 8.649 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.876 7.080 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.516 8.698 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.091 7.929 -5.691 1.00 0.00 H new ATOM 499 N GLU A 31 -8.314 5.920 -3.580 1.00 0.00 N ATOM 500 CA GLU A 31 -8.887 4.604 -3.322 1.00 0.00 C ATOM 501 C GLU A 31 -9.764 4.154 -4.486 1.00 0.00 C ATOM 502 O GLU A 31 -10.642 4.892 -4.935 1.00 0.00 O ATOM 503 CB GLU A 31 -9.705 4.625 -2.029 1.00 0.00 C ATOM 504 CG GLU A 31 -10.716 5.758 -1.969 1.00 0.00 C ATOM 505 CD GLU A 31 -11.885 5.448 -1.054 1.00 0.00 C ATOM 506 OE1 GLU A 31 -11.710 5.529 0.180 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.974 5.123 -1.571 1.00 0.00 O ATOM 0 H GLU A 31 -8.854 6.697 -3.199 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.067 3.894 -3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.229 3.675 -1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.026 4.709 -1.180 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.220 6.665 -1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.089 5.961 -2.973 1.00 0.00 H new ATOM 514 N VAL A 32 -9.521 2.941 -4.969 1.00 0.00 N ATOM 515 CA VAL A 32 -10.289 2.393 -6.080 1.00 0.00 C ATOM 516 C VAL A 32 -11.685 1.975 -5.630 1.00 0.00 C ATOM 517 O VAL A 32 -12.685 2.543 -6.067 1.00 0.00 O ATOM 518 CB VAL A 32 -9.581 1.179 -6.710 1.00 0.00 C ATOM 519 CG1 VAL A 32 -10.290 0.747 -7.984 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.119 1.498 -6.987 1.00 0.00 C ATOM 0 H VAL A 32 -8.798 2.318 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.371 3.183 -6.826 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.621 0.351 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.775 -0.112 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.320 0.474 -7.753 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.285 1.569 -8.700 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.635 0.629 -7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.055 2.341 -7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.619 1.753 -6.053 1.00 0.00 H new ATOM 530 N GLU A 33 -11.744 0.977 -4.754 1.00 0.00 N ATOM 531 CA GLU A 33 -13.017 0.482 -4.243 1.00 0.00 C ATOM 532 C GLU A 33 -12.803 -0.426 -3.037 1.00 0.00 C ATOM 533 O GLU A 33 -11.669 -0.680 -2.632 1.00 0.00 O ATOM 534 CB GLU A 33 -13.769 -0.275 -5.339 1.00 0.00 C ATOM 535 CG GLU A 33 -12.905 -1.273 -6.093 1.00 0.00 C ATOM 536 CD GLU A 33 -13.613 -1.866 -7.295 1.00 0.00 C ATOM 537 OE1 GLU A 33 -14.452 -2.772 -7.102 1.00 0.00 O ATOM 538 OE2 GLU A 33 -13.328 -1.427 -8.428 1.00 0.00 O ATOM 0 H GLU A 33 -10.925 0.495 -4.383 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.612 1.339 -3.928 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -14.612 -0.802 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -14.182 0.443 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.990 -0.780 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.610 -2.076 -5.417 1.00 0.00 H new ATOM 545 N GLU A 34 -13.901 -0.912 -2.467 1.00 0.00 N ATOM 546 CA GLU A 34 -13.833 -1.792 -1.306 1.00 0.00 C ATOM 547 C GLU A 34 -13.082 -3.077 -1.641 1.00 0.00 C ATOM 548 O GLU A 34 -13.688 -4.088 -1.994 1.00 0.00 O ATOM 549 CB GLU A 34 -15.242 -2.124 -0.809 1.00 0.00 C ATOM 550 CG GLU A 34 -15.694 -1.262 0.358 1.00 0.00 C ATOM 551 CD GLU A 34 -16.239 0.081 -0.087 1.00 0.00 C ATOM 552 OE1 GLU A 34 -15.612 0.716 -0.962 1.00 0.00 O ATOM 553 OE2 GLU A 34 -17.291 0.499 0.440 1.00 0.00 O ATOM 0 H GLU A 34 -14.848 -0.712 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.291 -1.271 -0.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.946 -2.005 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.275 -3.172 -0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.461 -1.793 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.854 -1.103 1.035 1.00 0.00 H new ATOM 560 N GLY A 35 -11.759 -3.029 -1.528 1.00 0.00 N ATOM 561 CA GLY A 35 -10.947 -4.195 -1.823 1.00 0.00 C ATOM 562 C GLY A 35 -9.597 -3.831 -2.409 1.00 0.00 C ATOM 563 O GLY A 35 -8.562 -4.313 -1.948 1.00 0.00 O ATOM 0 H GLY A 35 -11.235 -2.204 -1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.799 -4.771 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.481 -4.838 -2.522 1.00 0.00 H new ATOM 567 N TRP A 36 -9.607 -2.977 -3.427 1.00 0.00 N ATOM 568 CA TRP A 36 -8.374 -2.548 -4.077 1.00 0.00 C ATOM 569 C TRP A 36 -8.050 -1.100 -3.728 1.00 0.00 C ATOM 570 O TRP A 36 -8.899 -0.216 -3.848 1.00 0.00 O ATOM 571 CB TRP A 36 -8.491 -2.704 -5.595 1.00 0.00 C ATOM 572 CG TRP A 36 -9.067 -4.022 -6.015 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.337 -4.257 -6.458 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.395 -5.286 -6.033 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.496 -5.590 -6.749 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.317 -6.243 -6.497 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.102 -5.702 -5.702 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.987 -7.589 -6.638 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.776 -7.038 -5.842 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.715 -7.967 -6.307 1.00 0.00 C ATOM 0 H TRP A 36 -10.455 -2.568 -3.820 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.564 -3.181 -3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.115 -1.901 -5.988 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.504 -2.588 -6.042 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.105 -3.505 -6.564 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.352 -6.023 -7.096 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.371 -4.992 -5.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.709 -8.308 -6.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.780 -7.371 -5.588 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.429 -9.004 -6.406 1.00 0.00 H new ATOM 591 N TRP A 37 -6.816 -0.863 -3.295 1.00 0.00 N ATOM 592 CA TRP A 37 -6.377 0.479 -2.927 1.00 0.00 C ATOM 593 C TRP A 37 -5.144 0.885 -3.728 1.00 0.00 C ATOM 594 O TRP A 37 -4.454 0.038 -4.296 1.00 0.00 O ATOM 595 CB TRP A 37 -6.076 0.548 -1.428 1.00 0.00 C ATOM 596 CG TRP A 37 -7.186 1.159 -0.628 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.521 1.106 -0.906 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.056 1.918 0.580 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.230 1.785 0.056 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.353 2.292 0.979 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.969 2.316 1.363 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.591 3.045 2.126 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.207 3.063 2.501 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.509 3.421 2.874 1.00 0.00 C ATOM 0 H TRP A 37 -6.101 -1.583 -3.190 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.183 1.175 -3.158 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.881 -0.458 -1.057 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.165 1.126 -1.274 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.957 0.604 -1.757 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.244 1.894 0.079 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.962 2.045 1.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.594 3.322 2.415 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.375 3.376 3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.662 4.005 3.769 1.00 0.00 H new ATOM 615 N SER A 38 -4.874 2.186 -3.771 1.00 0.00 N ATOM 616 CA SER A 38 -3.725 2.704 -4.504 1.00 0.00 C ATOM 617 C SER A 38 -2.659 3.229 -3.547 1.00 0.00 C ATOM 618 O SER A 38 -2.953 3.570 -2.401 1.00 0.00 O ATOM 619 CB SER A 38 -4.163 3.817 -5.457 1.00 0.00 C ATOM 620 OG SER A 38 -3.357 3.839 -6.622 1.00 0.00 O ATOM 0 H SER A 38 -5.435 2.900 -3.307 1.00 0.00 H new ATOM 0 HA SER A 38 -3.296 1.886 -5.083 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.207 3.671 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.100 4.780 -4.950 1.00 0.00 H new ATOM 0 HG SER A 38 -3.659 4.558 -7.215 1.00 0.00 H new ATOM 626 N GLY A 39 -1.421 3.290 -4.026 1.00 0.00 N ATOM 627 CA GLY A 39 -0.330 3.774 -3.201 1.00 0.00 C ATOM 628 C GLY A 39 0.842 4.273 -4.024 1.00 0.00 C ATOM 629 O GLY A 39 0.922 4.011 -5.225 1.00 0.00 O ATOM 0 H GLY A 39 -1.154 3.013 -4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.691 4.580 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.007 2.973 -2.543 1.00 0.00 H new ATOM 633 N THR A 40 1.753 4.993 -3.378 1.00 0.00 N ATOM 634 CA THR A 40 2.925 5.530 -4.059 1.00 0.00 C ATOM 635 C THR A 40 4.124 5.587 -3.118 1.00 0.00 C ATOM 636 O THR A 40 3.989 5.936 -1.945 1.00 0.00 O ATOM 637 CB THR A 40 2.627 6.927 -4.607 1.00 0.00 C ATOM 638 OG1 THR A 40 1.343 6.967 -5.203 1.00 0.00 O ATOM 639 CG2 THR A 40 3.629 7.390 -5.642 1.00 0.00 C ATOM 0 H THR A 40 1.702 5.218 -2.384 1.00 0.00 H new ATOM 0 HA THR A 40 3.168 4.865 -4.888 1.00 0.00 H new ATOM 0 HB THR A 40 2.684 7.594 -3.747 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.232 7.813 -5.684 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.359 8.387 -5.989 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.624 7.417 -5.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.626 6.699 -6.485 1.00 0.00 H new ATOM 647 N LEU A 41 5.296 5.241 -3.640 1.00 0.00 N ATOM 648 CA LEU A 41 6.520 5.252 -2.847 1.00 0.00 C ATOM 649 C LEU A 41 7.434 6.396 -3.276 1.00 0.00 C ATOM 650 O LEU A 41 8.158 6.965 -2.459 1.00 0.00 O ATOM 651 CB LEU A 41 7.254 3.917 -2.986 1.00 0.00 C ATOM 652 CG LEU A 41 6.830 2.838 -1.987 1.00 0.00 C ATOM 653 CD1 LEU A 41 6.830 1.468 -2.648 1.00 0.00 C ATOM 654 CD2 LEU A 41 7.747 2.847 -0.774 1.00 0.00 C ATOM 0 H LEU A 41 5.424 4.949 -4.609 1.00 0.00 H new ATOM 0 HA LEU A 41 6.247 5.401 -1.802 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.098 3.537 -3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.324 4.094 -2.874 1.00 0.00 H new ATOM 0 HG LEU A 41 5.816 3.057 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.526 0.714 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.132 1.468 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.832 1.239 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.431 2.074 -0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.772 2.653 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.696 3.821 -0.287 1.00 0.00 H new ATOM 666 N ASN A 42 7.394 6.726 -4.562 1.00 0.00 N ATOM 667 CA ASN A 42 8.218 7.802 -5.101 1.00 0.00 C ATOM 668 C ASN A 42 7.874 8.067 -6.564 1.00 0.00 C ATOM 669 O ASN A 42 7.281 9.093 -6.896 1.00 0.00 O ATOM 670 CB ASN A 42 9.702 7.454 -4.966 1.00 0.00 C ATOM 671 CG ASN A 42 10.520 8.610 -4.425 1.00 0.00 C ATOM 672 OD1 ASN A 42 11.298 8.449 -3.485 1.00 0.00 O ATOM 673 ND2 ASN A 42 10.348 9.786 -5.019 1.00 0.00 N ATOM 0 H ASN A 42 6.800 6.264 -5.251 1.00 0.00 H new ATOM 0 HA ASN A 42 8.013 8.707 -4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.812 6.594 -4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.093 7.160 -5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.872 10.601 -4.699 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.692 9.874 -5.795 1.00 0.00 H new ATOM 680 N ASN A 43 8.248 7.133 -7.432 1.00 0.00 N ATOM 681 CA ASN A 43 7.976 7.264 -8.860 1.00 0.00 C ATOM 682 C ASN A 43 7.309 6.005 -9.412 1.00 0.00 C ATOM 683 O ASN A 43 7.286 5.787 -10.623 1.00 0.00 O ATOM 684 CB ASN A 43 9.273 7.542 -9.622 1.00 0.00 C ATOM 685 CG ASN A 43 10.277 6.415 -9.485 1.00 0.00 C ATOM 686 OD1 ASN A 43 10.021 5.285 -9.902 1.00 0.00 O ATOM 687 ND2 ASN A 43 11.429 6.717 -8.896 1.00 0.00 N ATOM 0 H ASN A 43 8.740 6.278 -7.173 1.00 0.00 H new ATOM 0 HA ASN A 43 7.292 8.102 -8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.046 7.696 -10.677 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.717 8.467 -9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.143 5.999 -8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.599 7.667 -8.565 1.00 0.00 H new ATOM 694 N LYS A 44 6.767 5.181 -8.520 1.00 0.00 N ATOM 695 CA LYS A 44 6.101 3.948 -8.922 1.00 0.00 C ATOM 696 C LYS A 44 4.664 3.916 -8.412 1.00 0.00 C ATOM 697 O LYS A 44 4.421 4.006 -7.208 1.00 0.00 O ATOM 698 CB LYS A 44 6.869 2.737 -8.394 1.00 0.00 C ATOM 699 CG LYS A 44 6.385 1.414 -8.966 1.00 0.00 C ATOM 700 CD LYS A 44 7.533 0.596 -9.533 1.00 0.00 C ATOM 701 CE LYS A 44 7.961 -0.504 -8.574 1.00 0.00 C ATOM 702 NZ LYS A 44 8.436 0.046 -7.275 1.00 0.00 N ATOM 0 H LYS A 44 6.776 5.346 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 44 6.081 3.911 -10.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.927 2.859 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 44 6.782 2.707 -7.308 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.881 0.843 -8.187 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.650 1.602 -9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.232 0.155 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.380 1.250 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.123 -1.178 -8.398 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.755 -1.095 -9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.797 -0.728 -6.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.196 0.735 -7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.647 0.516 -6.788 1.00 0.00 H new ATOM 716 N LEU A 45 3.716 3.788 -9.334 1.00 0.00 N ATOM 717 CA LEU A 45 2.303 3.744 -8.976 1.00 0.00 C ATOM 718 C LEU A 45 1.671 2.426 -9.412 1.00 0.00 C ATOM 719 O LEU A 45 1.915 1.945 -10.519 1.00 0.00 O ATOM 720 CB LEU A 45 1.558 4.921 -9.611 1.00 0.00 C ATOM 721 CG LEU A 45 1.062 5.980 -8.625 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.160 7.369 -9.238 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.367 5.682 -8.200 1.00 0.00 C ATOM 0 H LEU A 45 3.900 3.713 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 45 2.225 3.819 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.217 5.401 -10.335 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.703 4.534 -10.166 1.00 0.00 H new ATOM 0 HG LEU A 45 1.697 5.952 -7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.803 8.109 -8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.198 7.582 -9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.549 7.413 -10.140 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.705 6.445 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.015 5.683 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.407 4.704 -7.720 1.00 0.00 H new ATOM 735 N GLY A 46 0.857 1.848 -8.535 1.00 0.00 N ATOM 736 CA GLY A 46 0.201 0.592 -8.845 1.00 0.00 C ATOM 737 C GLY A 46 -1.025 0.353 -7.986 1.00 0.00 C ATOM 738 O GLY A 46 -1.421 1.217 -7.204 1.00 0.00 O ATOM 0 H GLY A 46 0.640 2.228 -7.614 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.088 0.586 -9.896 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.906 -0.227 -8.704 1.00 0.00 H new ATOM 742 N LEU A 47 -1.627 -0.823 -8.131 1.00 0.00 N ATOM 743 CA LEU A 47 -2.815 -1.172 -7.361 1.00 0.00 C ATOM 744 C LEU A 47 -2.630 -2.509 -6.652 1.00 0.00 C ATOM 745 O LEU A 47 -1.930 -3.394 -7.145 1.00 0.00 O ATOM 746 CB LEU A 47 -4.042 -1.231 -8.274 1.00 0.00 C ATOM 747 CG LEU A 47 -4.443 0.104 -8.905 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.645 0.356 -10.174 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.936 0.126 -9.198 1.00 0.00 C ATOM 0 H LEU A 47 -1.312 -1.550 -8.774 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.969 -0.400 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.849 -1.949 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.886 -1.612 -7.699 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.219 0.902 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.944 1.310 -10.608 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.582 0.383 -9.936 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.836 -0.444 -10.889 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.205 1.082 -9.647 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.183 -0.681 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.491 -0.008 -8.270 1.00 0.00 H new ATOM 761 N PHE A 48 -3.263 -2.649 -5.492 1.00 0.00 N ATOM 762 CA PHE A 48 -3.168 -3.879 -4.712 1.00 0.00 C ATOM 763 C PHE A 48 -4.274 -3.942 -3.661 1.00 0.00 C ATOM 764 O PHE A 48 -4.944 -2.945 -3.393 1.00 0.00 O ATOM 765 CB PHE A 48 -1.798 -3.982 -4.035 1.00 0.00 C ATOM 766 CG PHE A 48 -1.246 -2.661 -3.574 1.00 0.00 C ATOM 767 CD1 PHE A 48 -2.028 -1.788 -2.835 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.054 -2.295 -3.881 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.523 -0.574 -2.410 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.565 -1.082 -3.459 1.00 0.00 C ATOM 771 CZ PHE A 48 -0.225 -0.221 -2.723 1.00 0.00 C ATOM 0 H PHE A 48 -3.847 -1.927 -5.071 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.288 -4.720 -5.395 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.876 -4.651 -3.178 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.093 -4.437 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.044 -2.059 -2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.675 -2.965 -4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.142 0.098 -1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.580 -0.808 -3.704 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.172 0.728 -2.392 1.00 0.00 H new ATOM 781 N PRO A 49 -4.481 -5.122 -3.052 1.00 0.00 N ATOM 782 CA PRO A 49 -5.515 -5.310 -2.028 1.00 0.00 C ATOM 783 C PRO A 49 -5.336 -4.365 -0.844 1.00 0.00 C ATOM 784 O PRO A 49 -4.301 -4.376 -0.178 1.00 0.00 O ATOM 785 CB PRO A 49 -5.327 -6.764 -1.584 1.00 0.00 C ATOM 786 CG PRO A 49 -4.611 -7.422 -2.713 1.00 0.00 C ATOM 787 CD PRO A 49 -3.732 -6.363 -3.313 1.00 0.00 C ATOM 0 HA PRO A 49 -6.511 -5.097 -2.416 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.749 -6.824 -0.662 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.286 -7.245 -1.391 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.020 -8.268 -2.361 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.315 -7.809 -3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.747 -6.345 -2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.577 -6.524 -4.380 1.00 0.00 H new ATOM 795 N SER A 50 -6.354 -3.550 -0.588 1.00 0.00 N ATOM 796 CA SER A 50 -6.314 -2.597 0.516 1.00 0.00 C ATOM 797 C SER A 50 -6.211 -3.314 1.861 1.00 0.00 C ATOM 798 O SER A 50 -5.812 -2.718 2.861 1.00 0.00 O ATOM 799 CB SER A 50 -7.561 -1.711 0.494 1.00 0.00 C ATOM 800 OG SER A 50 -7.456 -0.659 1.437 1.00 0.00 O ATOM 0 H SER A 50 -7.218 -3.530 -1.130 1.00 0.00 H new ATOM 0 HA SER A 50 -5.427 -1.975 0.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.698 -1.296 -0.505 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.443 -2.313 0.713 1.00 0.00 H new ATOM 0 HG SER A 50 -7.690 0.190 1.007 1.00 0.00 H new ATOM 806 N ASN A 51 -6.577 -4.592 1.880 1.00 0.00 N ATOM 807 CA ASN A 51 -6.528 -5.382 3.105 1.00 0.00 C ATOM 808 C ASN A 51 -5.101 -5.498 3.632 1.00 0.00 C ATOM 809 O ASN A 51 -4.887 -5.677 4.831 1.00 0.00 O ATOM 810 CB ASN A 51 -7.105 -6.777 2.858 1.00 0.00 C ATOM 811 CG ASN A 51 -8.534 -6.731 2.353 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.849 -6.005 1.410 1.00 0.00 O ATOM 813 ND2 ASN A 51 -9.409 -7.509 2.981 1.00 0.00 N ATOM 0 H ASN A 51 -6.910 -5.102 1.062 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.129 -4.871 3.857 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -6.483 -7.301 2.132 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.068 -7.352 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.385 -7.520 2.686 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.104 -8.095 3.758 1.00 0.00 H new ATOM 820 N PHE A 52 -4.126 -5.395 2.733 1.00 0.00 N ATOM 821 CA PHE A 52 -2.723 -5.491 3.121 1.00 0.00 C ATOM 822 C PHE A 52 -2.317 -4.298 3.990 1.00 0.00 C ATOM 823 O PHE A 52 -2.437 -4.358 5.212 1.00 0.00 O ATOM 824 CB PHE A 52 -1.831 -5.584 1.879 1.00 0.00 C ATOM 825 CG PHE A 52 -1.440 -6.991 1.527 1.00 0.00 C ATOM 826 CD1 PHE A 52 -2.297 -7.801 0.798 1.00 0.00 C ATOM 827 CD2 PHE A 52 -0.215 -7.503 1.924 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.939 -9.095 0.473 1.00 0.00 C ATOM 829 CE2 PHE A 52 0.148 -8.797 1.601 1.00 0.00 C ATOM 830 CZ PHE A 52 -0.716 -9.594 0.874 1.00 0.00 C ATOM 0 H PHE A 52 -4.281 -5.246 1.736 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.591 -6.399 3.710 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.353 -5.138 1.032 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.929 -4.995 2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.255 -7.416 0.481 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.464 -6.884 2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.616 -9.716 -0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.105 -9.185 1.916 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.435 -10.605 0.620 1.00 0.00 H new ATOM 840 N VAL A 53 -1.836 -3.225 3.344 1.00 0.00 N ATOM 841 CA VAL A 53 -1.406 -1.991 4.025 1.00 0.00 C ATOM 842 C VAL A 53 -1.922 -1.880 5.458 1.00 0.00 C ATOM 843 O VAL A 53 -3.041 -2.295 5.760 1.00 0.00 O ATOM 844 CB VAL A 53 -1.852 -0.743 3.242 1.00 0.00 C ATOM 845 CG1 VAL A 53 -1.030 -0.587 1.972 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.336 -0.817 2.919 1.00 0.00 C ATOM 0 H VAL A 53 -1.733 -3.187 2.330 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.318 -2.045 4.063 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.683 0.134 3.867 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.360 0.301 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.024 -0.484 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.164 -1.466 1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.633 0.074 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.533 -1.702 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.907 -0.876 3.845 1.00 0.00 H new ATOM 856 N LYS A 54 -1.112 -1.295 6.336 1.00 0.00 N ATOM 857 CA LYS A 54 -1.513 -1.126 7.725 1.00 0.00 C ATOM 858 C LYS A 54 -1.146 0.253 8.261 1.00 0.00 C ATOM 859 O LYS A 54 0.028 0.601 8.362 1.00 0.00 O ATOM 860 CB LYS A 54 -0.889 -2.211 8.602 1.00 0.00 C ATOM 861 CG LYS A 54 -1.829 -2.728 9.680 1.00 0.00 C ATOM 862 CD LYS A 54 -1.327 -2.381 11.073 1.00 0.00 C ATOM 863 CE LYS A 54 -2.480 -2.127 12.032 1.00 0.00 C ATOM 864 NZ LYS A 54 -2.990 -0.731 11.933 1.00 0.00 N ATOM 0 H LYS A 54 -0.185 -0.934 6.112 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.599 -1.218 7.759 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.578 -3.044 7.971 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.010 -1.815 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.821 -2.302 9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.930 -3.809 9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.709 -3.195 11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.692 -1.496 11.023 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.290 -2.825 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.152 -2.322 13.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.289 -0.403 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.236 -0.111 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.801 -0.703 11.282 1.00 0.00 H new ATOM 878 N GLU A 55 -2.163 1.032 8.617 1.00 0.00 N ATOM 879 CA GLU A 55 -1.950 2.371 9.153 1.00 0.00 C ATOM 880 C GLU A 55 -1.184 2.317 10.471 1.00 0.00 C ATOM 881 O GLU A 55 -1.468 1.484 11.331 1.00 0.00 O ATOM 882 CB GLU A 55 -3.290 3.080 9.359 1.00 0.00 C ATOM 883 CG GLU A 55 -3.178 4.596 9.396 1.00 0.00 C ATOM 884 CD GLU A 55 -3.793 5.198 10.644 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.002 5.508 10.620 1.00 0.00 O ATOM 886 OE2 GLU A 55 -3.065 5.359 11.646 1.00 0.00 O ATOM 0 H GLU A 55 -3.143 0.758 8.544 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.356 2.932 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.970 2.794 8.557 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.735 2.734 10.292 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.127 4.880 9.341 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.668 5.014 8.517 1.00 0.00 H new ATOM 893 N LEU A 56 -0.212 3.211 10.621 1.00 0.00 N ATOM 894 CA LEU A 56 0.595 3.266 11.835 1.00 0.00 C ATOM 895 C LEU A 56 -0.279 3.539 13.055 1.00 0.00 C ATOM 896 O LEU A 56 -1.507 3.540 12.963 1.00 0.00 O ATOM 897 CB LEU A 56 1.670 4.347 11.709 1.00 0.00 C ATOM 898 CG LEU A 56 2.545 4.249 10.458 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.189 5.592 10.150 1.00 0.00 C ATOM 900 CD2 LEU A 56 3.607 3.174 10.635 1.00 0.00 C ATOM 0 H LEU A 56 0.036 3.907 9.918 1.00 0.00 H new ATOM 0 HA LEU A 56 1.078 2.298 11.966 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.185 5.323 11.719 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.313 4.302 12.588 1.00 0.00 H new ATOM 0 HG LEU A 56 1.912 3.972 9.615 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.808 5.503 9.257 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.412 6.338 9.980 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.809 5.900 10.992 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.221 3.117 9.736 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.237 3.422 11.489 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.125 2.211 10.807 1.00 0.00 H new ATOM 912 N GLU A 57 0.360 3.770 14.198 1.00 0.00 N ATOM 913 CA GLU A 57 -0.363 4.044 15.436 1.00 0.00 C ATOM 914 C GLU A 57 -0.005 5.422 15.986 1.00 0.00 C ATOM 915 O GLU A 57 -0.745 6.387 15.798 1.00 0.00 O ATOM 916 CB GLU A 57 -0.072 2.963 16.486 1.00 0.00 C ATOM 917 CG GLU A 57 1.282 2.287 16.323 1.00 0.00 C ATOM 918 CD GLU A 57 1.223 1.073 15.418 1.00 0.00 C ATOM 919 OE1 GLU A 57 0.731 1.205 14.278 1.00 0.00 O ATOM 920 OE2 GLU A 57 1.669 -0.011 15.849 1.00 0.00 O ATOM 0 H GLU A 57 1.376 3.773 14.293 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.429 4.031 15.208 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.125 3.412 17.478 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.853 2.204 16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.995 3.004 15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.654 1.987 17.303 1.00 0.00 H new ATOM 927 N LEU A 58 1.132 5.505 16.667 1.00 0.00 N ATOM 928 CA LEU A 58 1.587 6.764 17.246 1.00 0.00 C ATOM 929 C LEU A 58 3.081 6.962 17.013 1.00 0.00 C ATOM 930 O LEU A 58 3.799 6.018 16.683 1.00 0.00 O ATOM 931 CB LEU A 58 1.284 6.796 18.745 1.00 0.00 C ATOM 932 CG LEU A 58 1.664 5.525 19.510 1.00 0.00 C ATOM 933 CD1 LEU A 58 2.970 5.724 20.263 1.00 0.00 C ATOM 934 CD2 LEU A 58 0.551 5.123 20.467 1.00 0.00 C ATOM 0 H LEU A 58 1.756 4.715 16.832 1.00 0.00 H new ATOM 0 HA LEU A 58 1.051 7.577 16.755 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.811 7.640 19.189 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.218 6.979 18.881 1.00 0.00 H new ATOM 0 HG LEU A 58 1.803 4.720 18.788 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.223 4.810 20.800 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.765 5.961 19.556 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.859 6.543 20.973 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.840 4.218 21.001 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.378 5.927 21.182 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.363 4.936 19.904 1.00 0.00 H new ATOM 946 N GLU A 59 3.543 8.196 17.188 1.00 0.00 N ATOM 947 CA GLU A 59 4.952 8.519 16.998 1.00 0.00 C ATOM 948 C GLU A 59 5.438 9.490 18.070 1.00 0.00 C ATOM 949 O GLU A 59 5.241 10.700 17.961 1.00 0.00 O ATOM 950 CB GLU A 59 5.177 9.120 15.610 1.00 0.00 C ATOM 951 CG GLU A 59 5.390 8.079 14.523 1.00 0.00 C ATOM 952 CD GLU A 59 4.879 8.535 13.171 1.00 0.00 C ATOM 953 OE1 GLU A 59 4.873 9.758 12.921 1.00 0.00 O ATOM 954 OE2 GLU A 59 4.486 7.669 12.362 1.00 0.00 O ATOM 0 H GLU A 59 2.962 8.989 17.461 1.00 0.00 H new ATOM 0 HA GLU A 59 5.525 7.595 17.084 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.318 9.737 15.347 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.044 9.779 15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.453 7.851 14.447 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.885 7.155 14.806 1.00 0.00 H new ATOM 961 N HIS A 60 6.073 8.951 19.105 1.00 0.00 N ATOM 962 CA HIS A 60 6.586 9.769 20.197 1.00 0.00 C ATOM 963 C HIS A 60 8.098 9.934 20.090 1.00 0.00 C ATOM 964 O HIS A 60 8.728 10.284 21.110 1.00 0.00 O ATOM 965 CB HIS A 60 6.224 9.143 21.545 1.00 0.00 C ATOM 966 CG HIS A 60 4.852 9.505 22.024 1.00 0.00 C ATOM 967 ND1 HIS A 60 3.711 9.271 21.286 1.00 0.00 N ATOM 968 CD2 HIS A 60 4.441 10.087 23.176 1.00 0.00 C ATOM 969 CE1 HIS A 60 2.658 9.695 21.963 1.00 0.00 C ATOM 970 NE2 HIS A 60 3.074 10.193 23.112 1.00 0.00 N ATOM 0 H HIS A 60 6.245 7.951 19.210 1.00 0.00 H new ATOM 0 HA HIS A 60 6.125 10.754 20.126 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.297 8.058 21.464 1.00 0.00 H new ATOM 0 HB3 HIS A 60 6.955 9.457 22.290 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.071 10.408 23.992 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.631 9.643 21.632 1.00 0.00 H new ATOM 0 HE2 HIS A 60 2.476 10.592 23.836 1.00 0.00 H new TER 979 HIS A 60