USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.9!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= -0.276 (180deg=-0.917) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.0554 K(o=-0.055,f=-1.5) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -8.976 18.911 -10.407 1.00 0.00 N ATOM 2 CA PRO A 1 -8.322 18.814 -9.084 1.00 0.00 C ATOM 3 C PRO A 1 -8.796 17.586 -8.312 1.00 0.00 C ATOM 4 O PRO A 1 -9.872 17.051 -8.577 1.00 0.00 O ATOM 5 CB PRO A 1 -8.664 20.090 -8.323 1.00 0.00 C ATOM 6 CG PRO A 1 -9.775 20.707 -9.112 1.00 0.00 C ATOM 7 CD PRO A 1 -9.615 20.232 -10.539 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.672 18.173 -10.509 1.00 0.00 H new ATOM 0 H3 PRO A 1 -8.289 18.778 -11.149 1.00 0.00 H new ATOM 0 HA PRO A 1 -7.244 18.706 -9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.975 19.872 -7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -7.804 20.757 -8.259 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -10.744 20.410 -8.712 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -9.729 21.795 -9.059 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.577 20.161 -11.046 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -8.998 20.917 -11.121 1.00 0.00 H new ATOM 15 N ASP A 2 -7.983 17.143 -7.358 1.00 0.00 N ATOM 16 CA ASP A 2 -8.318 15.977 -6.549 1.00 0.00 C ATOM 17 C ASP A 2 -8.482 14.736 -7.421 1.00 0.00 C ATOM 18 O ASP A 2 -9.318 13.877 -7.144 1.00 0.00 O ATOM 19 CB ASP A 2 -9.605 16.231 -5.760 1.00 0.00 C ATOM 20 CG ASP A 2 -9.375 17.116 -4.550 1.00 0.00 C ATOM 21 OD1 ASP A 2 -8.719 18.169 -4.701 1.00 0.00 O ATOM 22 OD2 ASP A 2 -9.850 16.757 -3.453 1.00 0.00 O ATOM 0 H ASP A 2 -7.088 17.574 -7.127 1.00 0.00 H new ATOM 0 HA ASP A 2 -7.498 15.803 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.343 16.697 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.024 15.278 -5.436 1.00 0.00 H new ATOM 27 N LYS A 3 -7.678 14.651 -8.477 1.00 0.00 N ATOM 28 CA LYS A 3 -7.733 13.515 -9.389 1.00 0.00 C ATOM 29 C LYS A 3 -6.658 13.629 -10.465 1.00 0.00 C ATOM 30 O LYS A 3 -6.795 14.403 -11.413 1.00 0.00 O ATOM 31 CB LYS A 3 -9.114 13.422 -10.040 1.00 0.00 C ATOM 32 CG LYS A 3 -9.520 14.682 -10.789 1.00 0.00 C ATOM 33 CD LYS A 3 -11.018 14.720 -11.042 1.00 0.00 C ATOM 34 CE LYS A 3 -11.797 14.957 -9.758 1.00 0.00 C ATOM 35 NZ LYS A 3 -12.783 16.063 -9.903 1.00 0.00 N ATOM 0 H LYS A 3 -6.982 15.355 -8.721 1.00 0.00 H new ATOM 0 HA LYS A 3 -7.550 12.609 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -9.125 12.579 -10.731 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.856 13.212 -9.270 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -9.224 15.560 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -8.988 14.729 -11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -11.247 15.510 -11.758 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -11.335 13.780 -11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -12.317 14.042 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -11.103 15.192 -8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.293 16.193 -9.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -12.285 16.942 -10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -13.461 15.827 -10.656 1.00 0.00 H new ATOM 49 N ASP A 4 -5.591 12.854 -10.312 1.00 0.00 N ATOM 50 CA ASP A 4 -4.492 12.867 -11.272 1.00 0.00 C ATOM 51 C ASP A 4 -4.605 11.699 -12.245 1.00 0.00 C ATOM 52 O ASP A 4 -3.599 11.197 -12.748 1.00 0.00 O ATOM 53 CB ASP A 4 -3.149 12.809 -10.540 1.00 0.00 C ATOM 54 CG ASP A 4 -2.645 14.183 -10.147 1.00 0.00 C ATOM 55 OD1 ASP A 4 -3.048 15.171 -10.797 1.00 0.00 O ATOM 56 OD2 ASP A 4 -1.848 14.272 -9.190 1.00 0.00 O ATOM 0 H ASP A 4 -5.463 12.208 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 4 -4.549 13.795 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.252 12.193 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.411 12.323 -11.178 1.00 0.00 H new ATOM 61 N PHE A 5 -5.836 11.269 -12.507 1.00 0.00 N ATOM 62 CA PHE A 5 -6.080 10.159 -13.421 1.00 0.00 C ATOM 63 C PHE A 5 -7.573 9.983 -13.675 1.00 0.00 C ATOM 64 O PHE A 5 -8.250 9.239 -12.966 1.00 0.00 O ATOM 65 CB PHE A 5 -5.489 8.865 -12.856 1.00 0.00 C ATOM 66 CG PHE A 5 -5.775 8.661 -11.395 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.940 9.204 -10.431 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.875 7.927 -10.986 1.00 0.00 C ATOM 69 CE1 PHE A 5 -5.199 9.018 -9.086 1.00 0.00 C ATOM 70 CE2 PHE A 5 -7.140 7.738 -9.642 1.00 0.00 C ATOM 71 CZ PHE A 5 -6.300 8.284 -8.692 1.00 0.00 C ATOM 0 H PHE A 5 -6.679 11.673 -12.099 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.593 10.387 -14.369 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.886 8.019 -13.417 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.410 8.871 -13.009 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.077 9.779 -10.734 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.534 7.497 -11.725 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.541 9.446 -8.344 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.002 7.164 -9.336 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.504 8.137 -7.642 1.00 0.00 H new ATOM 81 N ILE A 6 -8.080 10.673 -14.690 1.00 0.00 N ATOM 82 CA ILE A 6 -9.485 10.601 -15.041 1.00 0.00 C ATOM 83 C ILE A 6 -9.759 9.432 -15.985 1.00 0.00 C ATOM 84 O ILE A 6 -10.348 9.606 -17.053 1.00 0.00 O ATOM 85 CB ILE A 6 -9.955 11.908 -15.703 1.00 0.00 C ATOM 86 CG1 ILE A 6 -8.920 12.409 -16.714 1.00 0.00 C ATOM 87 CG2 ILE A 6 -10.232 12.970 -14.648 1.00 0.00 C ATOM 88 CD1 ILE A 6 -9.535 13.001 -17.963 1.00 0.00 C ATOM 0 H ILE A 6 -7.530 11.292 -15.286 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.041 10.448 -14.116 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.882 11.705 -16.240 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.291 13.161 -16.237 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.269 11.582 -16.996 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -10.563 13.888 -15.134 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.010 12.616 -13.971 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.321 13.167 -14.082 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.744 13.335 -18.635 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.141 12.246 -18.463 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.164 13.849 -17.692 1.00 0.00 H new ATOM 100 N VAL A 7 -9.327 8.242 -15.584 1.00 0.00 N ATOM 101 CA VAL A 7 -9.522 7.047 -16.388 1.00 0.00 C ATOM 102 C VAL A 7 -10.892 6.427 -16.121 1.00 0.00 C ATOM 103 O VAL A 7 -11.000 5.244 -15.795 1.00 0.00 O ATOM 104 CB VAL A 7 -8.423 6.000 -16.116 1.00 0.00 C ATOM 105 CG1 VAL A 7 -8.453 5.550 -14.663 1.00 0.00 C ATOM 106 CG2 VAL A 7 -8.571 4.811 -17.056 1.00 0.00 C ATOM 0 H VAL A 7 -8.838 8.081 -14.703 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.464 7.351 -17.433 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.455 6.464 -16.304 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.669 4.812 -14.495 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.288 6.409 -14.013 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -9.423 5.107 -14.439 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.786 4.083 -16.849 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -9.546 4.347 -16.905 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.487 5.151 -18.088 1.00 0.00 H new ATOM 116 N ASN A 8 -11.937 7.238 -16.260 1.00 0.00 N ATOM 117 CA ASN A 8 -13.306 6.783 -16.035 1.00 0.00 C ATOM 118 C ASN A 8 -13.591 6.626 -14.542 1.00 0.00 C ATOM 119 O ASN A 8 -14.040 5.572 -14.092 1.00 0.00 O ATOM 120 CB ASN A 8 -13.560 5.457 -16.759 1.00 0.00 C ATOM 121 CG ASN A 8 -15.028 5.236 -17.063 1.00 0.00 C ATOM 122 OD1 ASN A 8 -15.836 6.162 -16.984 1.00 0.00 O ATOM 123 ND2 ASN A 8 -15.382 4.006 -17.414 1.00 0.00 N ATOM 0 H ASN A 8 -11.861 8.219 -16.529 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.980 7.539 -16.438 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.993 5.440 -17.690 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -13.191 4.635 -16.146 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -16.357 3.798 -17.631 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -14.679 3.269 -17.467 1.00 0.00 H new ATOM 130 N PRO A 9 -13.330 7.681 -13.749 1.00 0.00 N ATOM 131 CA PRO A 9 -13.561 7.657 -12.303 1.00 0.00 C ATOM 132 C PRO A 9 -15.039 7.785 -11.950 1.00 0.00 C ATOM 133 O PRO A 9 -15.470 8.795 -11.392 1.00 0.00 O ATOM 134 CB PRO A 9 -12.781 8.873 -11.807 1.00 0.00 C ATOM 135 CG PRO A 9 -12.803 9.824 -12.953 1.00 0.00 C ATOM 136 CD PRO A 9 -12.791 8.980 -14.200 1.00 0.00 C ATOM 0 HA PRO A 9 -13.245 6.717 -11.851 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.245 9.308 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.761 8.605 -11.533 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.691 10.455 -12.918 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.939 10.488 -12.924 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.407 9.418 -14.986 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.784 8.877 -14.604 1.00 0.00 H new ATOM 144 N SER A 10 -15.812 6.757 -12.279 1.00 0.00 N ATOM 145 CA SER A 10 -17.239 6.753 -11.996 1.00 0.00 C ATOM 146 C SER A 10 -17.823 5.356 -12.171 1.00 0.00 C ATOM 147 O SER A 10 -18.956 5.195 -12.627 1.00 0.00 O ATOM 148 CB SER A 10 -17.967 7.744 -12.907 1.00 0.00 C ATOM 149 OG SER A 10 -18.994 8.422 -12.205 1.00 0.00 O ATOM 0 H SER A 10 -15.472 5.915 -12.743 1.00 0.00 H new ATOM 0 HA SER A 10 -17.379 7.058 -10.959 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.255 8.467 -13.305 1.00 0.00 H new ATOM 0 HB3 SER A 10 -18.393 7.214 -13.759 1.00 0.00 H new ATOM 0 HG SER A 10 -19.443 9.050 -12.808 1.00 0.00 H new ATOM 155 N ASP A 11 -17.040 4.350 -11.800 1.00 0.00 N ATOM 156 CA ASP A 11 -17.470 2.960 -11.909 1.00 0.00 C ATOM 157 C ASP A 11 -16.394 2.019 -11.379 1.00 0.00 C ATOM 158 O ASP A 11 -16.189 0.928 -11.912 1.00 0.00 O ATOM 159 CB ASP A 11 -17.805 2.616 -13.363 1.00 0.00 C ATOM 160 CG ASP A 11 -19.292 2.681 -13.645 1.00 0.00 C ATOM 161 OD1 ASP A 11 -20.054 1.941 -12.986 1.00 0.00 O ATOM 162 OD2 ASP A 11 -19.698 3.470 -14.524 1.00 0.00 O ATOM 0 H ASP A 11 -16.101 4.471 -11.420 1.00 0.00 H new ATOM 0 HA ASP A 11 -18.368 2.833 -11.304 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -17.282 3.305 -14.026 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -17.438 1.615 -13.590 1.00 0.00 H new ATOM 167 N LEU A 12 -15.714 2.449 -10.322 1.00 0.00 N ATOM 168 CA LEU A 12 -14.658 1.654 -9.709 1.00 0.00 C ATOM 169 C LEU A 12 -14.030 2.402 -8.537 1.00 0.00 C ATOM 170 O LEU A 12 -12.842 2.728 -8.558 1.00 0.00 O ATOM 171 CB LEU A 12 -13.581 1.301 -10.740 1.00 0.00 C ATOM 172 CG LEU A 12 -12.928 -0.070 -10.549 1.00 0.00 C ATOM 173 CD1 LEU A 12 -12.471 -0.245 -9.108 1.00 0.00 C ATOM 174 CD2 LEU A 12 -13.892 -1.179 -10.943 1.00 0.00 C ATOM 0 H LEU A 12 -15.877 3.349 -9.870 1.00 0.00 H new ATOM 0 HA LEU A 12 -15.104 0.732 -9.337 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.025 1.340 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -12.804 2.065 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.054 -0.130 -11.197 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.009 -1.225 -8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.746 0.530 -8.859 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.330 -0.166 -8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.411 -2.147 -10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -14.785 -1.123 -10.321 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -14.171 -1.063 -11.990 1.00 0.00 H new ATOM 186 N VAL A 13 -14.836 2.675 -7.517 1.00 0.00 N ATOM 187 CA VAL A 13 -14.359 3.387 -6.339 1.00 0.00 C ATOM 188 C VAL A 13 -15.014 2.851 -5.069 1.00 0.00 C ATOM 189 O VAL A 13 -15.515 3.614 -4.242 1.00 0.00 O ATOM 190 CB VAL A 13 -14.630 4.901 -6.456 1.00 0.00 C ATOM 191 CG1 VAL A 13 -16.124 5.176 -6.543 1.00 0.00 C ATOM 192 CG2 VAL A 13 -14.007 5.651 -5.287 1.00 0.00 C ATOM 0 H VAL A 13 -15.821 2.414 -7.483 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.283 3.224 -6.279 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.166 5.261 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -16.292 6.250 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -16.535 4.676 -7.420 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.616 4.799 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -14.210 6.717 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -14.435 5.288 -4.352 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.930 5.486 -5.281 1.00 0.00 H new ATOM 202 N LEU A 14 -15.006 1.529 -4.920 1.00 0.00 N ATOM 203 CA LEU A 14 -15.597 0.888 -3.753 1.00 0.00 C ATOM 204 C LEU A 14 -15.380 -0.620 -3.792 1.00 0.00 C ATOM 205 O LEU A 14 -16.260 -1.396 -3.417 1.00 0.00 O ATOM 206 CB LEU A 14 -17.092 1.200 -3.674 1.00 0.00 C ATOM 207 CG LEU A 14 -17.643 1.376 -2.259 1.00 0.00 C ATOM 208 CD1 LEU A 14 -17.307 0.165 -1.403 1.00 0.00 C ATOM 209 CD2 LEU A 14 -17.092 2.646 -1.628 1.00 0.00 C ATOM 0 H LEU A 14 -14.596 0.882 -5.594 1.00 0.00 H new ATOM 0 HA LEU A 14 -15.105 1.284 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.288 2.111 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -17.642 0.396 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 14 -18.728 1.464 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -17.707 0.307 -0.399 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -17.748 -0.728 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.225 0.046 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -17.494 2.756 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -16.005 2.586 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -17.382 3.507 -2.231 1.00 0.00 H new ATOM 221 N ASP A 15 -14.200 -1.029 -4.247 1.00 0.00 N ATOM 222 CA ASP A 15 -13.861 -2.439 -4.335 1.00 0.00 C ATOM 223 C ASP A 15 -12.778 -2.806 -3.324 1.00 0.00 C ATOM 224 O ASP A 15 -12.024 -3.757 -3.527 1.00 0.00 O ATOM 225 CB ASP A 15 -13.397 -2.786 -5.752 1.00 0.00 C ATOM 226 CG ASP A 15 -14.088 -4.017 -6.301 1.00 0.00 C ATOM 227 OD1 ASP A 15 -15.333 -4.003 -6.406 1.00 0.00 O ATOM 228 OD2 ASP A 15 -13.386 -4.997 -6.627 1.00 0.00 O ATOM 0 H ASP A 15 -13.462 -0.399 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.755 -3.017 -4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.590 -1.940 -6.412 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.319 -2.949 -5.749 1.00 0.00 H new ATOM 233 N ASN A 16 -12.707 -2.047 -2.234 1.00 0.00 N ATOM 234 CA ASN A 16 -11.715 -2.292 -1.193 1.00 0.00 C ATOM 235 C ASN A 16 -10.302 -2.261 -1.766 1.00 0.00 C ATOM 236 O ASN A 16 -9.792 -3.274 -2.242 1.00 0.00 O ATOM 237 CB ASN A 16 -11.978 -3.642 -0.519 1.00 0.00 C ATOM 238 CG ASN A 16 -11.873 -3.562 0.992 1.00 0.00 C ATOM 239 OD1 ASN A 16 -12.550 -2.756 1.631 1.00 0.00 O ATOM 240 ND2 ASN A 16 -11.022 -4.401 1.571 1.00 0.00 N ATOM 0 H ASN A 16 -13.325 -1.257 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.801 -1.499 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.972 -3.995 -0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.265 -4.377 -0.892 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.909 -4.394 2.585 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.481 -5.052 1.002 1.00 0.00 H new ATOM 247 N LYS A 17 -9.677 -1.088 -1.720 1.00 0.00 N ATOM 248 CA LYS A 17 -8.328 -0.920 -2.237 1.00 0.00 C ATOM 249 C LYS A 17 -7.286 -1.158 -1.146 1.00 0.00 C ATOM 250 O LYS A 17 -6.317 -0.408 -1.027 1.00 0.00 O ATOM 251 CB LYS A 17 -8.158 0.481 -2.828 1.00 0.00 C ATOM 252 CG LYS A 17 -8.305 1.595 -1.805 1.00 0.00 C ATOM 253 CD LYS A 17 -8.119 2.963 -2.440 1.00 0.00 C ATOM 254 CE LYS A 17 -6.731 3.119 -3.038 1.00 0.00 C ATOM 255 NZ LYS A 17 -6.004 4.283 -2.462 1.00 0.00 N ATOM 0 H LYS A 17 -10.087 -0.240 -1.329 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.174 -1.660 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.175 0.553 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.895 0.625 -3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.291 1.538 -1.343 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.572 1.459 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.869 3.109 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.282 3.738 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.156 2.210 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.813 3.241 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.979 4.114 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.242 5.141 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.282 4.409 -1.468 1.00 0.00 H new ATOM 269 N ALA A 18 -7.488 -2.207 -0.354 1.00 0.00 N ATOM 270 CA ALA A 18 -6.562 -2.539 0.720 1.00 0.00 C ATOM 271 C ALA A 18 -5.196 -2.925 0.164 1.00 0.00 C ATOM 272 O ALA A 18 -4.216 -2.203 0.344 1.00 0.00 O ATOM 273 CB ALA A 18 -7.126 -3.665 1.574 1.00 0.00 C ATOM 0 H ALA A 18 -8.284 -2.840 -0.437 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.434 -1.655 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.423 -3.903 2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.076 -3.352 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.283 -4.548 0.954 1.00 0.00 H new ATOM 279 N ALA A 19 -5.138 -4.065 -0.516 1.00 0.00 N ATOM 280 CA ALA A 19 -3.894 -4.542 -1.101 1.00 0.00 C ATOM 281 C ALA A 19 -3.438 -3.633 -2.236 1.00 0.00 C ATOM 282 O ALA A 19 -2.244 -3.526 -2.515 1.00 0.00 O ATOM 283 CB ALA A 19 -4.056 -5.971 -1.597 1.00 0.00 C ATOM 0 H ALA A 19 -5.940 -4.675 -0.675 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.127 -4.525 -0.327 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.117 -6.314 -2.032 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.327 -6.617 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.841 -6.007 -2.353 1.00 0.00 H new ATOM 289 N LEU A 20 -4.395 -2.975 -2.885 1.00 0.00 N ATOM 290 CA LEU A 20 -4.087 -2.070 -3.986 1.00 0.00 C ATOM 291 C LEU A 20 -3.036 -1.049 -3.565 1.00 0.00 C ATOM 292 O LEU A 20 -2.169 -0.672 -4.354 1.00 0.00 O ATOM 293 CB LEU A 20 -5.355 -1.354 -4.458 1.00 0.00 C ATOM 294 CG LEU A 20 -5.456 -1.145 -5.970 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.220 -0.430 -6.493 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.645 -2.476 -6.680 1.00 0.00 C ATOM 0 H LEU A 20 -5.388 -3.052 -2.667 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.687 -2.660 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.222 -1.926 -4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.409 -0.382 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.326 -0.520 -6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.309 -0.290 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.129 0.541 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.335 -1.028 -6.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.715 -2.308 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.795 -3.125 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.561 -2.950 -6.326 1.00 0.00 H new ATOM 308 N ARG A 21 -3.120 -0.608 -2.315 1.00 0.00 N ATOM 309 CA ARG A 21 -2.178 0.362 -1.782 1.00 0.00 C ATOM 310 C ARG A 21 -0.968 -0.332 -1.169 1.00 0.00 C ATOM 311 O ARG A 21 0.101 0.264 -1.044 1.00 0.00 O ATOM 312 CB ARG A 21 -2.859 1.259 -0.745 1.00 0.00 C ATOM 313 CG ARG A 21 -2.583 2.740 -0.950 1.00 0.00 C ATOM 314 CD ARG A 21 -2.486 3.475 0.378 1.00 0.00 C ATOM 315 NE ARG A 21 -3.798 3.705 0.975 1.00 0.00 N ATOM 316 CZ ARG A 21 -4.627 4.677 0.596 1.00 0.00 C ATOM 317 NH1 ARG A 21 -4.284 5.507 -0.382 1.00 0.00 N ATOM 318 NH2 ARG A 21 -5.801 4.817 1.195 1.00 0.00 N ATOM 0 H ARG A 21 -3.834 -0.910 -1.652 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.832 0.984 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.935 1.090 -0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.523 0.969 0.251 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.654 2.865 -1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.377 3.180 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.871 2.897 1.068 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.984 4.431 0.227 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.098 3.085 1.727 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.382 5.402 -0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.922 6.249 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.070 4.181 1.946 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.436 5.561 0.905 1.00 0.00 H new ATOM 332 N ASP A 22 -1.134 -1.595 -0.798 1.00 0.00 N ATOM 333 CA ASP A 22 -0.044 -2.355 -0.217 1.00 0.00 C ATOM 334 C ASP A 22 0.873 -2.875 -1.311 1.00 0.00 C ATOM 335 O ASP A 22 2.064 -3.088 -1.090 1.00 0.00 O ATOM 336 CB ASP A 22 -0.576 -3.512 0.630 1.00 0.00 C ATOM 337 CG ASP A 22 -1.349 -3.031 1.843 1.00 0.00 C ATOM 338 OD1 ASP A 22 -2.131 -2.068 1.705 1.00 0.00 O ATOM 339 OD2 ASP A 22 -1.170 -3.619 2.931 1.00 0.00 O ATOM 0 H ASP A 22 -2.010 -2.109 -0.890 1.00 0.00 H new ATOM 0 HA ASP A 22 0.526 -1.694 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.221 -4.141 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.258 -4.133 0.957 1.00 0.00 H new ATOM 344 N TYR A 23 0.314 -3.057 -2.501 1.00 0.00 N ATOM 345 CA TYR A 23 1.090 -3.526 -3.633 1.00 0.00 C ATOM 346 C TYR A 23 2.109 -2.470 -4.016 1.00 0.00 C ATOM 347 O TYR A 23 3.226 -2.784 -4.428 1.00 0.00 O ATOM 348 CB TYR A 23 0.181 -3.848 -4.820 1.00 0.00 C ATOM 349 CG TYR A 23 0.593 -5.090 -5.578 1.00 0.00 C ATOM 350 CD1 TYR A 23 0.796 -6.295 -4.916 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.780 -5.057 -6.954 1.00 0.00 C ATOM 352 CE1 TYR A 23 1.175 -7.432 -5.604 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.158 -6.189 -7.649 1.00 0.00 C ATOM 354 CZ TYR A 23 1.354 -7.373 -6.970 1.00 0.00 C ATOM 355 OH TYR A 23 1.732 -8.504 -7.659 1.00 0.00 O ATOM 0 H TYR A 23 -0.671 -2.886 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 23 1.608 -4.443 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.841 -3.974 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.176 -3.000 -5.504 1.00 0.00 H new ATOM 0 HD1 TYR A 23 0.655 -6.344 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.627 -4.131 -7.489 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.330 -8.361 -5.075 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.299 -6.147 -8.719 1.00 0.00 H new ATOM 0 HH TYR A 23 1.814 -8.294 -8.613 1.00 0.00 H new ATOM 365 N LEU A 24 1.721 -1.212 -3.853 1.00 0.00 N ATOM 366 CA LEU A 24 2.603 -0.103 -4.153 1.00 0.00 C ATOM 367 C LEU A 24 3.498 0.196 -2.954 1.00 0.00 C ATOM 368 O LEU A 24 4.560 0.802 -3.094 1.00 0.00 O ATOM 369 CB LEU A 24 1.806 1.142 -4.552 1.00 0.00 C ATOM 370 CG LEU A 24 0.798 1.639 -3.514 1.00 0.00 C ATOM 371 CD1 LEU A 24 1.512 2.365 -2.384 1.00 0.00 C ATOM 372 CD2 LEU A 24 -0.231 2.549 -4.166 1.00 0.00 C ATOM 0 H LEU A 24 0.799 -0.939 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 24 3.230 -0.384 -4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.508 1.948 -4.766 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.272 0.929 -5.478 1.00 0.00 H new ATOM 0 HG LEU A 24 0.279 0.777 -3.095 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.780 2.712 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.213 1.685 -1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.056 3.219 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.940 2.894 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.272 3.408 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.764 1.999 -4.942 1.00 0.00 H new ATOM 384 N ARG A 25 3.064 -0.245 -1.771 1.00 0.00 N ATOM 385 CA ARG A 25 3.828 -0.036 -0.555 1.00 0.00 C ATOM 386 C ARG A 25 4.797 -1.193 -0.317 1.00 0.00 C ATOM 387 O ARG A 25 5.780 -1.051 0.411 1.00 0.00 O ATOM 388 CB ARG A 25 2.890 0.123 0.645 1.00 0.00 C ATOM 389 CG ARG A 25 3.107 1.413 1.419 1.00 0.00 C ATOM 390 CD ARG A 25 2.290 2.556 0.840 1.00 0.00 C ATOM 391 NE ARG A 25 2.088 3.630 1.807 1.00 0.00 N ATOM 392 CZ ARG A 25 1.194 3.585 2.794 1.00 0.00 C ATOM 393 NH1 ARG A 25 0.418 2.518 2.944 1.00 0.00 N ATOM 394 NH2 ARG A 25 1.077 4.606 3.630 1.00 0.00 N ATOM 0 H ARG A 25 2.187 -0.748 -1.637 1.00 0.00 H new ATOM 0 HA ARG A 25 4.408 0.880 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.858 0.087 0.296 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.028 -0.723 1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.834 1.262 2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.165 1.675 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.795 2.952 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.322 2.179 0.510 1.00 0.00 H new ATOM 0 HE ARG A 25 2.666 4.466 1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.505 1.730 2.303 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.265 2.487 3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.671 5.427 3.518 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.392 4.571 4.385 1.00 0.00 H new ATOM 408 N GLN A 26 4.513 -2.337 -0.936 1.00 0.00 N ATOM 409 CA GLN A 26 5.355 -3.512 -0.793 1.00 0.00 C ATOM 410 C GLN A 26 6.167 -3.765 -2.061 1.00 0.00 C ATOM 411 O GLN A 26 7.179 -4.466 -2.029 1.00 0.00 O ATOM 412 CB GLN A 26 4.504 -4.740 -0.464 1.00 0.00 C ATOM 413 CG GLN A 26 5.243 -5.790 0.351 1.00 0.00 C ATOM 414 CD GLN A 26 4.307 -6.804 0.979 1.00 0.00 C ATOM 415 OE1 GLN A 26 3.979 -7.824 0.372 1.00 0.00 O ATOM 416 NE2 GLN A 26 3.872 -6.529 2.204 1.00 0.00 N ATOM 0 H GLN A 26 3.703 -2.471 -1.542 1.00 0.00 H new ATOM 0 HA GLN A 26 6.049 -3.329 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.618 -4.422 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.157 -5.191 -1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.956 -6.308 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.819 -5.298 1.135 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.169 -5.672 2.670 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.241 -7.175 2.678 1.00 0.00 H new ATOM 425 N ILE A 27 5.722 -3.188 -3.173 1.00 0.00 N ATOM 426 CA ILE A 27 6.412 -3.348 -4.448 1.00 0.00 C ATOM 427 C ILE A 27 7.906 -3.059 -4.293 1.00 0.00 C ATOM 428 O ILE A 27 8.744 -3.736 -4.886 1.00 0.00 O ATOM 429 CB ILE A 27 5.794 -2.430 -5.535 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.035 -3.268 -6.566 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.854 -1.576 -6.223 1.00 0.00 C ATOM 432 CD1 ILE A 27 5.928 -4.188 -7.369 1.00 0.00 C ATOM 0 H ILE A 27 4.886 -2.605 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 27 6.290 -4.383 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 27 5.097 -1.754 -5.040 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.280 -3.864 -6.054 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.507 -2.601 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.381 -0.947 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.350 -0.946 -5.484 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.590 -2.224 -6.700 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.324 -4.752 -8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.668 -3.597 -7.909 1.00 0.00 H new ATOM 0 HD13 ILE A 27 6.437 -4.879 -6.697 1.00 0.00 H new ATOM 444 N ASN A 28 8.226 -2.053 -3.486 1.00 0.00 N ATOM 445 CA ASN A 28 9.609 -1.678 -3.248 1.00 0.00 C ATOM 446 C ASN A 28 10.244 -2.588 -2.206 1.00 0.00 C ATOM 447 O ASN A 28 11.457 -2.796 -2.213 1.00 0.00 O ATOM 448 CB ASN A 28 9.700 -0.218 -2.801 1.00 0.00 C ATOM 449 CG ASN A 28 10.992 0.442 -3.238 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.902 -0.220 -3.741 1.00 0.00 O ATOM 451 ND2 ASN A 28 11.082 1.753 -3.050 1.00 0.00 N ATOM 0 H ASN A 28 7.543 -1.484 -2.986 1.00 0.00 H new ATOM 0 HA ASN A 28 10.156 -1.791 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.856 0.337 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.619 -0.168 -1.715 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.929 2.251 -3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.305 2.263 -2.630 1.00 0.00 H new ATOM 458 N GLU A 29 9.421 -3.143 -1.319 1.00 0.00 N ATOM 459 CA GLU A 29 9.920 -4.042 -0.293 1.00 0.00 C ATOM 460 C GLU A 29 9.901 -5.481 -0.786 1.00 0.00 C ATOM 461 O GLU A 29 9.823 -6.427 -0.002 1.00 0.00 O ATOM 462 CB GLU A 29 9.108 -3.905 0.996 1.00 0.00 C ATOM 463 CG GLU A 29 9.259 -2.550 1.669 1.00 0.00 C ATOM 464 CD GLU A 29 9.703 -2.661 3.114 1.00 0.00 C ATOM 465 OE1 GLU A 29 8.951 -3.242 3.923 1.00 0.00 O ATOM 466 OE2 GLU A 29 10.805 -2.168 3.437 1.00 0.00 O ATOM 0 H GLU A 29 8.414 -2.985 -1.293 1.00 0.00 H new ATOM 0 HA GLU A 29 10.952 -3.766 -0.075 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.055 -4.075 0.772 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.415 -4.684 1.694 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.983 -1.953 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.308 -2.019 1.625 1.00 0.00 H new ATOM 473 N TYR A 30 9.994 -5.625 -2.097 1.00 0.00 N ATOM 474 CA TYR A 30 10.016 -6.920 -2.742 1.00 0.00 C ATOM 475 C TYR A 30 11.268 -7.044 -3.595 1.00 0.00 C ATOM 476 O TYR A 30 11.849 -8.121 -3.722 1.00 0.00 O ATOM 477 CB TYR A 30 8.766 -7.119 -3.600 1.00 0.00 C ATOM 478 CG TYR A 30 8.363 -8.568 -3.761 1.00 0.00 C ATOM 479 CD1 TYR A 30 7.789 -9.270 -2.709 1.00 0.00 C ATOM 480 CD2 TYR A 30 8.555 -9.233 -4.966 1.00 0.00 C ATOM 481 CE1 TYR A 30 7.419 -10.594 -2.853 1.00 0.00 C ATOM 482 CE2 TYR A 30 8.188 -10.556 -5.119 1.00 0.00 C ATOM 483 CZ TYR A 30 7.619 -11.232 -4.060 1.00 0.00 C ATOM 484 OH TYR A 30 7.252 -12.550 -4.207 1.00 0.00 O ATOM 0 H TYR A 30 10.057 -4.840 -2.745 1.00 0.00 H new ATOM 0 HA TYR A 30 10.026 -7.695 -1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.938 -6.568 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.940 -6.688 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.629 -8.773 -1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.999 -8.706 -5.798 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.975 -11.127 -2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.346 -11.058 -6.062 1.00 0.00 H new ATOM 0 HH TYR A 30 7.460 -12.848 -5.117 1.00 0.00 H new ATOM 494 N PHE A 31 11.687 -5.919 -4.164 1.00 0.00 N ATOM 495 CA PHE A 31 12.875 -5.873 -4.992 1.00 0.00 C ATOM 496 C PHE A 31 14.121 -5.651 -4.137 1.00 0.00 C ATOM 497 O PHE A 31 15.240 -5.905 -4.581 1.00 0.00 O ATOM 498 CB PHE A 31 12.752 -4.769 -6.044 1.00 0.00 C ATOM 499 CG PHE A 31 12.498 -5.286 -7.430 1.00 0.00 C ATOM 500 CD1 PHE A 31 13.545 -5.747 -8.214 1.00 0.00 C ATOM 501 CD2 PHE A 31 11.215 -5.313 -7.950 1.00 0.00 C ATOM 502 CE1 PHE A 31 13.315 -6.225 -9.490 1.00 0.00 C ATOM 503 CE2 PHE A 31 10.978 -5.791 -9.226 1.00 0.00 C ATOM 504 CZ PHE A 31 12.029 -6.246 -9.996 1.00 0.00 C ATOM 0 H PHE A 31 11.213 -5.022 -4.062 1.00 0.00 H new ATOM 0 HA PHE A 31 12.972 -6.832 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.941 -4.098 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.668 -4.178 -6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 31 14.552 -5.732 -7.823 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.389 -4.956 -7.352 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.139 -6.582 -10.091 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.972 -5.808 -9.619 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.847 -6.618 -10.993 1.00 0.00 H new ATOM 514 N ALA A 32 13.924 -5.174 -2.908 1.00 0.00 N ATOM 515 CA ALA A 32 15.037 -4.922 -2.004 1.00 0.00 C ATOM 516 C ALA A 32 15.656 -6.227 -1.516 1.00 0.00 C ATOM 517 O ALA A 32 16.853 -6.291 -1.233 1.00 0.00 O ATOM 518 CB ALA A 32 14.577 -4.080 -0.824 1.00 0.00 C ATOM 0 H ALA A 32 13.006 -4.956 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 32 15.801 -4.372 -2.553 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.419 -3.899 -0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.190 -3.128 -1.186 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.792 -4.609 -0.283 1.00 0.00 H new ATOM 524 N ILE A 33 14.831 -7.266 -1.413 1.00 0.00 N ATOM 525 CA ILE A 33 15.290 -8.566 -0.952 1.00 0.00 C ATOM 526 C ILE A 33 16.029 -9.324 -2.051 1.00 0.00 C ATOM 527 O ILE A 33 17.135 -9.821 -1.840 1.00 0.00 O ATOM 528 CB ILE A 33 14.117 -9.429 -0.449 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.244 -8.629 0.524 1.00 0.00 C ATOM 530 CG2 ILE A 33 14.635 -10.696 0.214 1.00 0.00 C ATOM 531 CD1 ILE A 33 11.773 -8.652 0.173 1.00 0.00 C ATOM 0 H ILE A 33 13.838 -7.229 -1.644 1.00 0.00 H new ATOM 0 HA ILE A 33 15.978 -8.377 -0.128 1.00 0.00 H new ATOM 0 HB ILE A 33 13.505 -9.715 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.376 -9.028 1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.589 -7.595 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.793 -11.294 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.215 -11.272 -0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.268 -10.431 1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.215 -8.066 0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.629 -8.226 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.413 -9.681 0.182 1.00 0.00 H new ATOM 543 N ILE A 34 15.407 -9.417 -3.224 1.00 0.00 N ATOM 544 CA ILE A 34 16.004 -10.124 -4.352 1.00 0.00 C ATOM 545 C ILE A 34 17.384 -9.569 -4.698 1.00 0.00 C ATOM 546 O ILE A 34 18.206 -10.259 -5.300 1.00 0.00 O ATOM 547 CB ILE A 34 15.100 -10.056 -5.602 1.00 0.00 C ATOM 548 CG1 ILE A 34 15.646 -10.970 -6.704 1.00 0.00 C ATOM 549 CG2 ILE A 34 14.979 -8.622 -6.101 1.00 0.00 C ATOM 550 CD1 ILE A 34 14.737 -12.138 -7.024 1.00 0.00 C ATOM 0 H ILE A 34 14.491 -9.012 -3.417 1.00 0.00 H new ATOM 0 HA ILE A 34 16.110 -11.165 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 34 14.104 -10.404 -5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 34 15.802 -10.382 -7.609 1.00 0.00 H new ATOM 0 HG13 ILE A 34 16.621 -11.351 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.338 -8.596 -6.982 1.00 0.00 H new ATOM 0 HG22 ILE A 34 14.545 -8.000 -5.318 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.967 -8.242 -6.360 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.185 -12.743 -7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 34 14.601 -12.748 -6.131 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.769 -11.765 -7.359 1.00 0.00 H new ATOM 562 N GLY A 35 17.630 -8.325 -4.309 1.00 0.00 N ATOM 563 CA GLY A 35 18.913 -7.702 -4.584 1.00 0.00 C ATOM 564 C GLY A 35 18.797 -6.508 -5.512 1.00 0.00 C ATOM 565 O GLY A 35 19.745 -6.171 -6.222 1.00 0.00 O ATOM 0 H GLY A 35 16.965 -7.735 -3.808 1.00 0.00 H new ATOM 0 HA2 GLY A 35 19.367 -7.385 -3.645 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.582 -8.439 -5.028 1.00 0.00 H new ATOM 569 N ARG A 36 17.634 -5.864 -5.506 1.00 0.00 N ATOM 570 CA ARG A 36 17.399 -4.699 -6.353 1.00 0.00 C ATOM 571 C ARG A 36 17.500 -5.067 -7.831 1.00 0.00 C ATOM 572 O ARG A 36 18.249 -5.970 -8.204 1.00 0.00 O ATOM 573 CB ARG A 36 18.399 -3.589 -6.020 1.00 0.00 C ATOM 574 CG ARG A 36 17.879 -2.588 -5.001 1.00 0.00 C ATOM 575 CD ARG A 36 18.185 -1.157 -5.415 1.00 0.00 C ATOM 576 NE ARG A 36 18.246 -0.257 -4.266 1.00 0.00 N ATOM 577 CZ ARG A 36 19.298 -0.158 -3.457 1.00 0.00 C ATOM 578 NH1 ARG A 36 20.380 -0.898 -3.670 1.00 0.00 N ATOM 579 NH2 ARG A 36 19.269 0.684 -2.434 1.00 0.00 N ATOM 0 H ARG A 36 16.839 -6.129 -4.924 1.00 0.00 H new ATOM 0 HA ARG A 36 16.389 -4.339 -6.158 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.316 -4.039 -5.640 1.00 0.00 H new ATOM 0 HB3 ARG A 36 18.660 -3.060 -6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.802 -2.712 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 36 18.329 -2.790 -4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 36 19.135 -1.129 -5.948 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.420 -0.808 -6.109 1.00 0.00 H new ATOM 0 HE ARG A 36 17.435 0.330 -4.072 1.00 0.00 H new ATOM 0 HH11 ARG A 36 20.408 -1.546 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 36 21.183 -0.818 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.441 1.256 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 36 20.075 0.760 -1.813 1.00 0.00 H new ATOM 593 N PRO A 37 16.744 -4.367 -8.695 1.00 0.00 N ATOM 594 CA PRO A 37 16.751 -4.623 -10.139 1.00 0.00 C ATOM 595 C PRO A 37 18.032 -4.131 -10.807 1.00 0.00 C ATOM 596 O PRO A 37 18.845 -3.449 -10.185 1.00 0.00 O ATOM 597 CB PRO A 37 15.547 -3.827 -10.643 1.00 0.00 C ATOM 598 CG PRO A 37 15.394 -2.716 -9.664 1.00 0.00 C ATOM 599 CD PRO A 37 15.821 -3.273 -8.333 1.00 0.00 C ATOM 0 HA PRO A 37 16.702 -5.688 -10.366 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.717 -3.447 -11.650 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.651 -4.446 -10.683 1.00 0.00 H new ATOM 0 HG2 PRO A 37 16.010 -1.861 -9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.362 -2.367 -9.628 1.00 0.00 H new ATOM 0 HD2 PRO A 37 16.315 -2.517 -7.722 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.969 -3.640 -7.760 1.00 0.00 H new ATOM 607 N ARG A 38 18.203 -4.482 -12.077 1.00 0.00 N ATOM 608 CA ARG A 38 19.384 -4.077 -12.831 1.00 0.00 C ATOM 609 C ARG A 38 19.292 -4.545 -14.280 1.00 0.00 C ATOM 610 O ARG A 38 20.232 -5.134 -14.815 1.00 0.00 O ATOM 611 CB ARG A 38 20.648 -4.637 -12.177 1.00 0.00 C ATOM 612 CG ARG A 38 21.808 -3.652 -12.156 1.00 0.00 C ATOM 613 CD ARG A 38 22.562 -3.705 -10.838 1.00 0.00 C ATOM 614 NE ARG A 38 23.264 -4.974 -10.658 1.00 0.00 N ATOM 615 CZ ARG A 38 24.413 -5.278 -11.260 1.00 0.00 C ATOM 616 NH1 ARG A 38 24.992 -4.408 -12.079 1.00 0.00 N ATOM 617 NH2 ARG A 38 24.984 -6.454 -11.041 1.00 0.00 N ATOM 0 H ARG A 38 17.538 -5.046 -12.606 1.00 0.00 H new ATOM 0 HA ARG A 38 19.434 -2.988 -12.825 1.00 0.00 H new ATOM 0 HB2 ARG A 38 20.417 -4.936 -11.155 1.00 0.00 H new ATOM 0 HB3 ARG A 38 20.955 -5.537 -12.710 1.00 0.00 H new ATOM 0 HG2 ARG A 38 22.491 -3.875 -12.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 21.432 -2.642 -12.320 1.00 0.00 H new ATOM 0 HD2 ARG A 38 23.279 -2.885 -10.798 1.00 0.00 H new ATOM 0 HD3 ARG A 38 21.863 -3.558 -10.015 1.00 0.00 H new ATOM 0 HE ARG A 38 22.850 -5.668 -10.035 1.00 0.00 H new ATOM 0 HH11 ARG A 38 24.557 -3.501 -12.250 1.00 0.00 H new ATOM 0 HH12 ARG A 38 25.872 -4.646 -12.537 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.544 -7.125 -10.412 1.00 0.00 H new ATOM 0 HH22 ARG A 38 25.864 -6.687 -11.502 1.00 0.00 H new ATOM 631 N PHE A 39 18.151 -4.281 -14.912 1.00 0.00 N ATOM 632 CA PHE A 39 17.938 -4.675 -16.298 1.00 0.00 C ATOM 633 C PHE A 39 18.224 -3.515 -17.246 1.00 0.00 C ATOM 634 O PHE A 39 17.622 -2.446 -17.136 1.00 0.00 O ATOM 635 CB PHE A 39 16.502 -5.166 -16.495 1.00 0.00 C ATOM 636 CG PHE A 39 16.315 -6.620 -16.165 1.00 0.00 C ATOM 637 CD1 PHE A 39 16.409 -7.065 -14.855 1.00 0.00 C ATOM 638 CD2 PHE A 39 16.043 -7.543 -17.164 1.00 0.00 C ATOM 639 CE1 PHE A 39 16.237 -8.401 -14.549 1.00 0.00 C ATOM 640 CE2 PHE A 39 15.870 -8.879 -16.863 1.00 0.00 C ATOM 641 CZ PHE A 39 15.967 -9.310 -15.553 1.00 0.00 C ATOM 0 H PHE A 39 17.362 -3.796 -14.485 1.00 0.00 H new ATOM 0 HA PHE A 39 18.629 -5.486 -16.528 1.00 0.00 H new ATOM 0 HB2 PHE A 39 15.834 -4.571 -15.871 1.00 0.00 H new ATOM 0 HB3 PHE A 39 16.207 -4.996 -17.530 1.00 0.00 H new ATOM 0 HD1 PHE A 39 16.619 -6.359 -14.065 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.966 -7.213 -18.189 1.00 0.00 H new ATOM 0 HE1 PHE A 39 16.314 -8.735 -13.525 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.659 -9.587 -17.651 1.00 0.00 H new ATOM 0 HZ PHE A 39 15.832 -10.355 -15.315 1.00 0.00 H new HETATM 651 N NH2 A 40 19.144 -3.727 -18.180 1.00 0.00 N TER 654 NH2 A 40