USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 GLY N :NH3+ 146:sc= 0.0293 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -134:sc= -0.683 (180deg=-2.84!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -5.81! C(o=-5.8!,f=-11!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 30:sc= 0.254 USER MOD Single : A 26 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.11) USER MOD Single : A 33 TYR OH : rot 121:sc= 0.0674 USER MOD Single : A 34 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.0016) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -1.22 (180deg=-1.56) USER MOD Single : A 38 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.2) USER MOD Single : A 40 THR OG1 : rot -81:sc= 1.29 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -1.48 F(o=-2.4,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.624 -1.031 17.906 1.00 0.00 N ATOM 2 CA GLY A 1 21.756 -2.295 17.205 1.00 0.00 C ATOM 3 C GLY A 1 22.599 -2.176 15.951 1.00 0.00 C ATOM 4 O GLY A 1 22.677 -1.108 15.345 1.00 0.00 O ATOM 0 H1 GLY A 1 20.684 -0.975 18.348 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.356 -0.964 18.641 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.737 -0.247 17.232 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.204 -3.032 17.872 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.766 -2.665 16.940 1.00 0.00 H new ATOM 8 N SER A 2 23.234 -3.277 15.561 1.00 0.00 N ATOM 9 CA SER A 2 24.081 -3.291 14.374 1.00 0.00 C ATOM 10 C SER A 2 23.642 -4.387 13.407 1.00 0.00 C ATOM 11 O SER A 2 23.264 -4.110 12.268 1.00 0.00 O ATOM 12 CB SER A 2 25.544 -3.498 14.767 1.00 0.00 C ATOM 13 OG SER A 2 26.417 -2.957 13.790 1.00 0.00 O ATOM 0 H SER A 2 23.178 -4.171 16.050 1.00 0.00 H new ATOM 0 HA SER A 2 23.980 -2.327 13.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.735 -3.026 15.731 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.744 -4.563 14.888 1.00 0.00 H new ATOM 0 HG SER A 2 27.346 -3.101 14.066 1.00 0.00 H new ATOM 19 N SER A 3 23.696 -5.632 13.869 1.00 0.00 N ATOM 20 CA SER A 3 23.309 -6.771 13.045 1.00 0.00 C ATOM 21 C SER A 3 21.843 -6.670 12.634 1.00 0.00 C ATOM 22 O SER A 3 20.944 -6.928 13.433 1.00 0.00 O ATOM 23 CB SER A 3 23.550 -8.079 13.801 1.00 0.00 C ATOM 24 OG SER A 3 23.539 -9.187 12.918 1.00 0.00 O ATOM 0 H SER A 3 24.004 -5.878 14.810 1.00 0.00 H new ATOM 0 HA SER A 3 23.922 -6.762 12.144 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.508 -8.032 14.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.782 -8.209 14.563 1.00 0.00 H new ATOM 0 HG SER A 3 23.697 -10.011 13.425 1.00 0.00 H new ATOM 30 N GLY A 4 21.611 -6.293 11.380 1.00 0.00 N ATOM 31 CA GLY A 4 20.253 -6.164 10.884 1.00 0.00 C ATOM 32 C GLY A 4 20.104 -6.678 9.466 1.00 0.00 C ATOM 33 O GLY A 4 19.525 -6.006 8.612 1.00 0.00 O ATOM 0 H GLY A 4 22.339 -6.075 10.699 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.576 -6.712 11.539 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.954 -5.117 10.921 1.00 0.00 H new ATOM 37 N SER A 5 20.628 -7.873 9.213 1.00 0.00 N ATOM 38 CA SER A 5 20.555 -8.475 7.886 1.00 0.00 C ATOM 39 C SER A 5 19.146 -8.355 7.312 1.00 0.00 C ATOM 40 O SER A 5 18.257 -9.134 7.655 1.00 0.00 O ATOM 41 CB SER A 5 20.970 -9.946 7.947 1.00 0.00 C ATOM 42 OG SER A 5 20.931 -10.540 6.661 1.00 0.00 O ATOM 0 H SER A 5 21.108 -8.444 9.909 1.00 0.00 H new ATOM 0 HA SER A 5 21.242 -7.938 7.232 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.976 -10.027 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.306 -10.487 8.621 1.00 0.00 H new ATOM 0 HG SER A 5 21.202 -11.480 6.726 1.00 0.00 H new ATOM 48 N SER A 6 18.952 -7.374 6.437 1.00 0.00 N ATOM 49 CA SER A 6 17.651 -7.149 5.817 1.00 0.00 C ATOM 50 C SER A 6 17.810 -6.547 4.425 1.00 0.00 C ATOM 51 O SER A 6 18.743 -5.787 4.167 1.00 0.00 O ATOM 52 CB SER A 6 16.800 -6.226 6.691 1.00 0.00 C ATOM 53 OG SER A 6 15.423 -6.360 6.384 1.00 0.00 O ATOM 0 H SER A 6 19.679 -6.722 6.141 1.00 0.00 H new ATOM 0 HA SER A 6 17.149 -8.112 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.966 -6.461 7.742 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.110 -5.192 6.543 1.00 0.00 H new ATOM 0 HG SER A 6 14.900 -5.761 6.957 1.00 0.00 H new ATOM 59 N GLY A 7 16.890 -6.892 3.529 1.00 0.00 N ATOM 60 CA GLY A 7 16.945 -6.377 2.173 1.00 0.00 C ATOM 61 C GLY A 7 15.778 -6.846 1.327 1.00 0.00 C ATOM 62 O GLY A 7 15.327 -7.985 1.455 1.00 0.00 O ATOM 0 H GLY A 7 16.108 -7.519 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.954 -5.287 2.202 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.878 -6.692 1.706 1.00 0.00 H new ATOM 66 N LYS A 8 15.285 -5.967 0.461 1.00 0.00 N ATOM 67 CA LYS A 8 14.163 -6.296 -0.409 1.00 0.00 C ATOM 68 C LYS A 8 14.532 -6.089 -1.875 1.00 0.00 C ATOM 69 O LYS A 8 14.014 -6.773 -2.758 1.00 0.00 O ATOM 70 CB LYS A 8 12.946 -5.439 -0.053 1.00 0.00 C ATOM 71 CG LYS A 8 13.212 -3.945 -0.127 1.00 0.00 C ATOM 72 CD LYS A 8 13.790 -3.416 1.174 1.00 0.00 C ATOM 73 CE LYS A 8 13.422 -1.957 1.396 1.00 0.00 C ATOM 74 NZ LYS A 8 14.117 -1.057 0.434 1.00 0.00 N ATOM 0 H LYS A 8 15.646 -5.020 0.343 1.00 0.00 H new ATOM 0 HA LYS A 8 13.916 -7.347 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.127 -5.688 -0.728 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.616 -5.692 0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.903 -3.738 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.284 -3.420 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.423 -4.016 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 8 14.875 -3.520 1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.344 -1.835 1.294 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.680 -1.668 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.840 -0.072 0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.146 -1.154 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 13.851 -1.316 -0.538 1.00 0.00 H new ATOM 88 N ARG A 9 15.432 -5.143 -2.126 1.00 0.00 N ATOM 89 CA ARG A 9 15.870 -4.848 -3.484 1.00 0.00 C ATOM 90 C ARG A 9 14.675 -4.711 -4.424 1.00 0.00 C ATOM 91 O ARG A 9 14.616 -5.359 -5.469 1.00 0.00 O ATOM 92 CB ARG A 9 16.808 -5.945 -3.991 1.00 0.00 C ATOM 93 CG ARG A 9 18.218 -5.848 -3.431 1.00 0.00 C ATOM 94 CD ARG A 9 19.167 -6.798 -4.144 1.00 0.00 C ATOM 95 NE ARG A 9 19.360 -6.431 -5.544 1.00 0.00 N ATOM 96 CZ ARG A 9 20.233 -7.029 -6.347 1.00 0.00 C ATOM 97 NH1 ARG A 9 20.988 -8.019 -5.891 1.00 0.00 N ATOM 98 NH2 ARG A 9 20.351 -6.638 -7.609 1.00 0.00 N ATOM 0 H ARG A 9 15.871 -4.569 -1.407 1.00 0.00 H new ATOM 0 HA ARG A 9 16.407 -3.900 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.389 -6.917 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.854 -5.898 -5.079 1.00 0.00 H new ATOM 0 HG2 ARG A 9 18.581 -4.825 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 9 18.204 -6.078 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 9 20.130 -6.799 -3.634 1.00 0.00 H new ATOM 0 HD3 ARG A 9 18.775 -7.813 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 9 18.793 -5.674 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 9 20.899 -8.323 -4.921 1.00 0.00 H new ATOM 0 HH12 ARG A 9 21.658 -8.476 -6.510 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.771 -5.877 -7.964 1.00 0.00 H new ATOM 0 HH22 ARG A 9 21.022 -7.098 -8.225 1.00 0.00 H new ATOM 112 N LYS A 10 13.724 -3.865 -4.044 1.00 0.00 N ATOM 113 CA LYS A 10 12.531 -3.642 -4.851 1.00 0.00 C ATOM 114 C LYS A 10 12.812 -2.651 -5.976 1.00 0.00 C ATOM 115 O LYS A 10 13.792 -1.906 -5.931 1.00 0.00 O ATOM 116 CB LYS A 10 11.387 -3.123 -3.976 1.00 0.00 C ATOM 117 CG LYS A 10 10.932 -4.115 -2.920 1.00 0.00 C ATOM 118 CD LYS A 10 9.726 -3.599 -2.153 1.00 0.00 C ATOM 119 CE LYS A 10 9.351 -4.531 -1.011 1.00 0.00 C ATOM 120 NZ LYS A 10 8.376 -5.571 -1.441 1.00 0.00 N ATOM 0 H LYS A 10 13.757 -3.322 -3.181 1.00 0.00 H new ATOM 0 HA LYS A 10 12.240 -4.595 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.704 -2.203 -3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.540 -2.869 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.684 -5.064 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.750 -4.310 -2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.942 -2.606 -1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.879 -3.494 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.250 -5.013 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.925 -3.950 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.614 -5.644 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.972 -5.308 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.860 -6.488 -1.524 1.00 0.00 H new ATOM 134 N THR A 11 11.947 -2.648 -6.986 1.00 0.00 N ATOM 135 CA THR A 11 12.103 -1.749 -8.123 1.00 0.00 C ATOM 136 C THR A 11 10.849 -0.908 -8.334 1.00 0.00 C ATOM 137 O THR A 11 9.730 -1.380 -8.131 1.00 0.00 O ATOM 138 CB THR A 11 12.409 -2.527 -9.416 1.00 0.00 C ATOM 139 OG1 THR A 11 12.191 -1.689 -10.556 1.00 0.00 O ATOM 140 CG2 THR A 11 11.538 -3.770 -9.520 1.00 0.00 C ATOM 0 H THR A 11 11.131 -3.258 -7.040 1.00 0.00 H new ATOM 0 HA THR A 11 12.943 -1.093 -7.895 1.00 0.00 H new ATOM 0 HB THR A 11 13.454 -2.837 -9.388 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.390 -2.191 -11.374 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.773 -4.303 -10.442 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.729 -4.420 -8.666 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.488 -3.479 -9.527 1.00 0.00 H new ATOM 148 N LYS A 12 11.043 0.341 -8.745 1.00 0.00 N ATOM 149 CA LYS A 12 9.927 1.249 -8.987 1.00 0.00 C ATOM 150 C LYS A 12 8.720 0.494 -9.533 1.00 0.00 C ATOM 151 O LYS A 12 7.590 0.715 -9.098 1.00 0.00 O ATOM 152 CB LYS A 12 10.341 2.348 -9.967 1.00 0.00 C ATOM 153 CG LYS A 12 9.194 3.250 -10.390 1.00 0.00 C ATOM 154 CD LYS A 12 9.657 4.321 -11.363 1.00 0.00 C ATOM 155 CE LYS A 12 8.514 4.806 -12.242 1.00 0.00 C ATOM 156 NZ LYS A 12 8.984 5.756 -13.288 1.00 0.00 N ATOM 0 H LYS A 12 11.962 0.748 -8.917 1.00 0.00 H new ATOM 0 HA LYS A 12 9.649 1.704 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.121 2.957 -9.509 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.776 1.887 -10.854 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.410 2.651 -10.853 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.757 3.721 -9.510 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.074 5.162 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.456 3.924 -11.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.033 3.951 -12.717 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.760 5.292 -11.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.176 6.063 -13.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.420 6.584 -12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.685 5.285 -13.895 1.00 0.00 H new ATOM 170 N GLU A 13 8.967 -0.398 -10.487 1.00 0.00 N ATOM 171 CA GLU A 13 7.899 -1.186 -11.091 1.00 0.00 C ATOM 172 C GLU A 13 7.127 -1.962 -10.028 1.00 0.00 C ATOM 173 O GLU A 13 5.929 -1.754 -9.842 1.00 0.00 O ATOM 174 CB GLU A 13 8.472 -2.153 -12.129 1.00 0.00 C ATOM 175 CG GLU A 13 8.688 -1.523 -13.495 1.00 0.00 C ATOM 176 CD GLU A 13 9.427 -2.439 -14.450 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.404 -3.084 -14.016 1.00 0.00 O ATOM 178 OE2 GLU A 13 9.029 -2.511 -15.631 1.00 0.00 O ATOM 0 H GLU A 13 9.897 -0.593 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 13 7.212 -0.500 -11.586 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.422 -2.543 -11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.797 -3.003 -12.233 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.722 -1.258 -13.926 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.250 -0.596 -13.379 1.00 0.00 H new ATOM 185 N GLN A 14 7.824 -2.856 -9.335 1.00 0.00 N ATOM 186 CA GLN A 14 7.204 -3.665 -8.291 1.00 0.00 C ATOM 187 C GLN A 14 6.495 -2.783 -7.269 1.00 0.00 C ATOM 188 O GLN A 14 5.293 -2.925 -7.038 1.00 0.00 O ATOM 189 CB GLN A 14 8.256 -4.530 -7.594 1.00 0.00 C ATOM 190 CG GLN A 14 8.934 -5.527 -8.520 1.00 0.00 C ATOM 191 CD GLN A 14 10.157 -6.167 -7.893 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.017 -5.481 -7.341 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.241 -7.490 -7.975 1.00 0.00 N ATOM 0 H GLN A 14 8.817 -3.039 -9.477 1.00 0.00 H new ATOM 0 HA GLN A 14 6.464 -4.314 -8.760 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.014 -3.882 -7.154 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.784 -5.071 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.222 -6.305 -8.794 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.225 -5.022 -9.441 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.505 -8.020 -8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.042 -7.976 -7.571 1.00 0.00 H new ATOM 202 N LEU A 15 7.246 -1.873 -6.658 1.00 0.00 N ATOM 203 CA LEU A 15 6.689 -0.967 -5.659 1.00 0.00 C ATOM 204 C LEU A 15 5.446 -0.263 -6.195 1.00 0.00 C ATOM 205 O LEU A 15 4.482 -0.043 -5.463 1.00 0.00 O ATOM 206 CB LEU A 15 7.735 0.068 -5.241 1.00 0.00 C ATOM 207 CG LEU A 15 8.747 -0.388 -4.189 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.625 0.775 -3.754 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.032 -0.996 -2.991 1.00 0.00 C ATOM 0 H LEU A 15 8.242 -1.743 -6.837 1.00 0.00 H new ATOM 0 HA LEU A 15 6.403 -1.557 -4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.282 0.382 -6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.215 0.947 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 15 9.385 -1.152 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.339 0.432 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.164 1.167 -4.617 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.002 1.562 -3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.767 -1.315 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.370 -0.253 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.446 -1.856 -3.315 1.00 0.00 H new ATOM 221 N ALA A 16 5.476 0.086 -7.477 1.00 0.00 N ATOM 222 CA ALA A 16 4.351 0.760 -8.111 1.00 0.00 C ATOM 223 C ALA A 16 3.049 0.003 -7.869 1.00 0.00 C ATOM 224 O ALA A 16 2.017 0.604 -7.572 1.00 0.00 O ATOM 225 CB ALA A 16 4.603 0.917 -9.603 1.00 0.00 C ATOM 0 H ALA A 16 6.268 -0.087 -8.096 1.00 0.00 H new ATOM 0 HA ALA A 16 4.253 1.749 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.754 1.422 -10.064 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.506 1.508 -9.759 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.730 -0.066 -10.056 1.00 0.00 H new ATOM 231 N ILE A 17 3.106 -1.318 -7.999 1.00 0.00 N ATOM 232 CA ILE A 17 1.932 -2.156 -7.794 1.00 0.00 C ATOM 233 C ILE A 17 1.512 -2.166 -6.328 1.00 0.00 C ATOM 234 O ILE A 17 0.327 -2.277 -6.011 1.00 0.00 O ATOM 235 CB ILE A 17 2.186 -3.604 -8.254 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.260 -3.672 -9.780 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.095 -4.526 -7.729 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.138 -4.792 -10.293 1.00 0.00 C ATOM 0 H ILE A 17 3.953 -1.831 -8.245 1.00 0.00 H new ATOM 0 HA ILE A 17 1.130 -1.728 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 17 3.141 -3.936 -7.848 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.254 -3.798 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.637 -2.723 -10.160 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.289 -5.546 -8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.086 -4.496 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.127 -4.198 -8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.144 -4.780 -11.383 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.154 -4.656 -9.923 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.750 -5.748 -9.943 1.00 0.00 H new ATOM 250 N LEU A 18 2.491 -2.048 -5.438 1.00 0.00 N ATOM 251 CA LEU A 18 2.224 -2.041 -4.004 1.00 0.00 C ATOM 252 C LEU A 18 1.585 -0.724 -3.575 1.00 0.00 C ATOM 253 O LEU A 18 0.501 -0.709 -2.991 1.00 0.00 O ATOM 254 CB LEU A 18 3.520 -2.270 -3.223 1.00 0.00 C ATOM 255 CG LEU A 18 3.869 -3.726 -2.914 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.300 -3.837 -2.411 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.898 -4.303 -1.895 1.00 0.00 C ATOM 0 H LEU A 18 3.477 -1.956 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 18 1.527 -2.850 -3.785 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.343 -1.832 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.454 -1.725 -2.281 1.00 0.00 H new ATOM 0 HG LEU A 18 3.783 -4.303 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.530 -4.881 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.984 -3.464 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.413 -3.246 -1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.162 -5.340 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.951 -3.724 -0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.884 -4.259 -2.293 1.00 0.00 H new ATOM 269 N LYS A 19 2.262 0.380 -3.870 1.00 0.00 N ATOM 270 CA LYS A 19 1.759 1.703 -3.519 1.00 0.00 C ATOM 271 C LYS A 19 0.251 1.786 -3.731 1.00 0.00 C ATOM 272 O LYS A 19 -0.469 2.365 -2.918 1.00 0.00 O ATOM 273 CB LYS A 19 2.462 2.776 -4.354 1.00 0.00 C ATOM 274 CG LYS A 19 3.950 2.889 -4.071 1.00 0.00 C ATOM 275 CD LYS A 19 4.547 4.130 -4.714 1.00 0.00 C ATOM 276 CE LYS A 19 6.065 4.048 -4.778 1.00 0.00 C ATOM 277 NZ LYS A 19 6.533 3.417 -6.043 1.00 0.00 N ATOM 0 H LYS A 19 3.161 0.385 -4.352 1.00 0.00 H new ATOM 0 HA LYS A 19 1.970 1.876 -2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.318 2.554 -5.411 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.990 3.740 -4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.115 2.921 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.461 2.002 -4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.145 4.249 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.253 5.013 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.487 5.050 -4.694 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.434 3.474 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.572 3.380 -6.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.151 2.452 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.203 3.978 -6.854 1.00 0.00 H new ATOM 291 N SER A 20 -0.221 1.202 -4.829 1.00 0.00 N ATOM 292 CA SER A 20 -1.644 1.213 -5.148 1.00 0.00 C ATOM 293 C SER A 20 -2.428 0.350 -4.164 1.00 0.00 C ATOM 294 O SER A 20 -3.551 0.684 -3.786 1.00 0.00 O ATOM 295 CB SER A 20 -1.871 0.712 -6.576 1.00 0.00 C ATOM 296 OG SER A 20 -3.180 1.019 -7.022 1.00 0.00 O ATOM 0 H SER A 20 0.361 0.716 -5.511 1.00 0.00 H new ATOM 0 HA SER A 20 -2.001 2.240 -5.069 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.140 1.166 -7.245 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.713 -0.366 -6.616 1.00 0.00 H new ATOM 0 HG SER A 20 -3.299 0.690 -7.937 1.00 0.00 H new ATOM 302 N PHE A 21 -1.827 -0.762 -3.754 1.00 0.00 N ATOM 303 CA PHE A 21 -2.469 -1.675 -2.815 1.00 0.00 C ATOM 304 C PHE A 21 -2.563 -1.049 -1.426 1.00 0.00 C ATOM 305 O PHE A 21 -3.628 -1.038 -0.809 1.00 0.00 O ATOM 306 CB PHE A 21 -1.694 -2.993 -2.741 1.00 0.00 C ATOM 307 CG PHE A 21 -2.552 -4.174 -2.390 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.889 -4.435 -1.071 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.021 -5.025 -3.378 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.679 -5.521 -0.744 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.811 -6.112 -3.057 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.140 -6.361 -1.739 1.00 0.00 C ATOM 0 H PHE A 21 -0.897 -1.053 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.479 -1.875 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.213 -3.177 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.900 -2.897 -2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.530 -3.782 -0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.766 -4.836 -4.410 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.935 -5.712 0.288 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.171 -6.767 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.757 -7.211 -1.487 1.00 0.00 H new ATOM 322 N PHE A 22 -1.440 -0.530 -0.941 1.00 0.00 N ATOM 323 CA PHE A 22 -1.394 0.097 0.375 1.00 0.00 C ATOM 324 C PHE A 22 -2.518 1.117 0.532 1.00 0.00 C ATOM 325 O PHE A 22 -3.226 1.129 1.540 1.00 0.00 O ATOM 326 CB PHE A 22 -0.041 0.776 0.593 1.00 0.00 C ATOM 327 CG PHE A 22 0.163 1.269 1.997 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.213 0.379 3.058 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.306 2.623 2.256 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.400 0.830 4.351 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.494 3.080 3.547 1.00 0.00 C ATOM 332 CZ PHE A 22 0.541 2.182 4.596 1.00 0.00 C ATOM 0 H PHE A 22 -0.550 -0.531 -1.439 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.527 -0.682 1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.754 0.073 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.050 1.616 -0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.105 -0.679 2.872 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.270 3.329 1.440 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.436 0.126 5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.604 4.138 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.688 2.537 5.606 1.00 0.00 H new ATOM 342 N LEU A 23 -2.677 1.971 -0.473 1.00 0.00 N ATOM 343 CA LEU A 23 -3.715 2.996 -0.448 1.00 0.00 C ATOM 344 C LEU A 23 -5.095 2.370 -0.275 1.00 0.00 C ATOM 345 O LEU A 23 -5.846 2.742 0.626 1.00 0.00 O ATOM 346 CB LEU A 23 -3.675 3.822 -1.736 1.00 0.00 C ATOM 347 CG LEU A 23 -2.340 4.492 -2.062 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.175 4.649 -3.565 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.238 5.842 -1.368 1.00 0.00 C ATOM 0 H LEU A 23 -2.101 1.974 -1.315 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.524 3.650 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.946 3.173 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.441 4.595 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.536 3.855 -1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.219 5.128 -3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.203 3.668 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.984 5.264 -3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.282 6.305 -1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.049 6.487 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.310 5.703 -0.289 1.00 0.00 H new ATOM 361 N GLN A 24 -5.420 1.417 -1.142 1.00 0.00 N ATOM 362 CA GLN A 24 -6.709 0.738 -1.084 1.00 0.00 C ATOM 363 C GLN A 24 -6.920 0.088 0.280 1.00 0.00 C ATOM 364 O GLN A 24 -8.032 0.083 0.810 1.00 0.00 O ATOM 365 CB GLN A 24 -6.804 -0.318 -2.186 1.00 0.00 C ATOM 366 CG GLN A 24 -6.859 0.268 -3.587 1.00 0.00 C ATOM 367 CD GLN A 24 -8.270 0.611 -4.022 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.946 -0.192 -4.665 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.723 1.809 -3.671 1.00 0.00 N ATOM 0 H GLN A 24 -4.808 1.097 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.491 1.482 -1.237 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.945 -0.985 -2.114 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.694 -0.925 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.243 1.166 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.429 -0.444 -4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.128 2.443 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.666 2.095 -3.935 1.00 0.00 H new ATOM 378 N CYS A 25 -5.848 -0.459 0.841 1.00 0.00 N ATOM 379 CA CYS A 25 -5.916 -1.113 2.143 1.00 0.00 C ATOM 380 C CYS A 25 -4.572 -1.038 2.861 1.00 0.00 C ATOM 381 O CYS A 25 -3.614 -1.706 2.474 1.00 0.00 O ATOM 382 CB CYS A 25 -6.341 -2.574 1.982 1.00 0.00 C ATOM 383 SG CYS A 25 -8.130 -2.831 2.024 1.00 0.00 S ATOM 0 H CYS A 25 -4.921 -0.463 0.415 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.659 -0.590 2.746 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.952 -2.952 1.036 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.881 -3.164 2.774 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.731 -1.775 1.563 1.00 0.00 H new ATOM 389 N GLN A 26 -4.510 -0.219 3.906 1.00 0.00 N ATOM 390 CA GLN A 26 -3.283 -0.056 4.675 1.00 0.00 C ATOM 391 C GLN A 26 -2.798 -1.396 5.218 1.00 0.00 C ATOM 392 O GLN A 26 -1.626 -1.549 5.563 1.00 0.00 O ATOM 393 CB GLN A 26 -3.505 0.925 5.828 1.00 0.00 C ATOM 394 CG GLN A 26 -3.557 2.379 5.388 1.00 0.00 C ATOM 395 CD GLN A 26 -4.947 2.811 4.965 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.868 2.869 5.781 1.00 0.00 O ATOM 397 NE2 GLN A 26 -5.107 3.118 3.682 1.00 0.00 N ATOM 0 H GLN A 26 -5.295 0.341 4.239 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.518 0.344 4.009 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.437 0.674 6.334 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.704 0.803 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.216 3.014 6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.866 2.529 4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.317 3.056 3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.020 3.416 3.339 1.00 0.00 H new ATOM 406 N TRP A 27 -3.706 -2.362 5.292 1.00 0.00 N ATOM 407 CA TRP A 27 -3.370 -3.690 5.794 1.00 0.00 C ATOM 408 C TRP A 27 -3.802 -4.770 4.808 1.00 0.00 C ATOM 409 O TRP A 27 -4.955 -4.804 4.378 1.00 0.00 O ATOM 410 CB TRP A 27 -4.032 -3.926 7.152 1.00 0.00 C ATOM 411 CG TRP A 27 -3.746 -2.844 8.149 1.00 0.00 C ATOM 412 CD1 TRP A 27 -4.151 -1.541 8.082 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.993 -2.971 9.359 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.694 -0.851 9.179 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.982 -1.705 9.978 1.00 0.00 C ATOM 416 CE3 TRP A 27 -2.328 -4.030 9.982 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -2.331 -1.473 11.187 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -1.682 -3.799 11.182 1.00 0.00 C ATOM 419 CH2 TRP A 27 -1.688 -2.529 11.774 1.00 0.00 C ATOM 0 H TRP A 27 -4.680 -2.251 5.011 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.288 -3.744 5.911 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.110 -4.006 7.013 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.690 -4.880 7.554 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.743 -1.116 7.285 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.859 0.138 9.368 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.319 -5.012 9.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.333 -0.495 11.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -1.164 -4.611 11.671 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -1.175 -2.380 12.713 1.00 0.00 H new ATOM 430 N ALA A 28 -2.871 -5.650 4.455 1.00 0.00 N ATOM 431 CA ALA A 28 -3.158 -6.732 3.522 1.00 0.00 C ATOM 432 C ALA A 28 -3.355 -8.053 4.257 1.00 0.00 C ATOM 433 O ALA A 28 -2.772 -8.277 5.318 1.00 0.00 O ATOM 434 CB ALA A 28 -2.039 -6.857 2.498 1.00 0.00 C ATOM 0 H ALA A 28 -1.912 -5.635 4.801 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.086 -6.494 3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.267 -7.669 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.948 -5.923 1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.100 -7.068 3.009 1.00 0.00 H new ATOM 440 N ARG A 29 -4.180 -8.925 3.687 1.00 0.00 N ATOM 441 CA ARG A 29 -4.455 -10.223 4.291 1.00 0.00 C ATOM 442 C ARG A 29 -3.620 -11.317 3.632 1.00 0.00 C ATOM 443 O ARG A 29 -2.825 -11.047 2.731 1.00 0.00 O ATOM 444 CB ARG A 29 -5.943 -10.561 4.170 1.00 0.00 C ATOM 445 CG ARG A 29 -6.832 -9.730 5.080 1.00 0.00 C ATOM 446 CD ARG A 29 -8.206 -10.360 5.244 1.00 0.00 C ATOM 447 NE ARG A 29 -8.159 -11.569 6.063 1.00 0.00 N ATOM 448 CZ ARG A 29 -9.149 -12.453 6.125 1.00 0.00 C ATOM 449 NH1 ARG A 29 -10.256 -12.264 5.421 1.00 0.00 N ATOM 450 NH2 ARG A 29 -9.031 -13.528 6.893 1.00 0.00 N ATOM 0 H ARG A 29 -4.669 -8.756 2.808 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.186 -10.169 5.346 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.257 -10.415 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.087 -11.617 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.359 -9.627 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.938 -8.726 4.669 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.883 -9.639 5.701 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.613 -10.602 4.262 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.321 -11.744 6.617 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.350 -11.438 4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.014 -12.944 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.180 -13.676 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.791 -14.207 6.941 1.00 0.00 H new ATOM 464 N ARG A 30 -3.805 -12.552 4.088 1.00 0.00 N ATOM 465 CA ARG A 30 -3.067 -13.685 3.544 1.00 0.00 C ATOM 466 C ARG A 30 -3.570 -14.043 2.149 1.00 0.00 C ATOM 467 O ARG A 30 -2.799 -14.473 1.292 1.00 0.00 O ATOM 468 CB ARG A 30 -3.195 -14.896 4.470 1.00 0.00 C ATOM 469 CG ARG A 30 -2.348 -14.794 5.727 1.00 0.00 C ATOM 470 CD ARG A 30 -3.113 -14.133 6.863 1.00 0.00 C ATOM 471 NE ARG A 30 -3.839 -15.107 7.674 1.00 0.00 N ATOM 472 CZ ARG A 30 -4.561 -14.783 8.741 1.00 0.00 C ATOM 473 NH1 ARG A 30 -4.653 -13.517 9.123 1.00 0.00 N ATOM 474 NH2 ARG A 30 -5.193 -15.726 9.427 1.00 0.00 N ATOM 0 H ARG A 30 -4.459 -12.793 4.832 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.017 -13.401 3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.240 -15.016 4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.909 -15.794 3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.029 -15.790 6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.445 -14.221 5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.418 -13.581 7.495 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.815 -13.407 6.453 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.789 -16.090 7.406 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.169 -12.789 8.597 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.208 -13.271 9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.125 -16.701 9.135 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.747 -15.476 10.246 1.00 0.00 H new ATOM 488 N GLU A 31 -4.869 -13.863 1.929 1.00 0.00 N ATOM 489 CA GLU A 31 -5.475 -14.168 0.638 1.00 0.00 C ATOM 490 C GLU A 31 -5.078 -13.131 -0.408 1.00 0.00 C ATOM 491 O GLU A 31 -5.181 -13.375 -1.610 1.00 0.00 O ATOM 492 CB GLU A 31 -6.998 -14.223 0.765 1.00 0.00 C ATOM 493 CG GLU A 31 -7.486 -15.198 1.825 1.00 0.00 C ATOM 494 CD GLU A 31 -7.342 -16.645 1.397 1.00 0.00 C ATOM 495 OE1 GLU A 31 -7.540 -16.932 0.198 1.00 0.00 O ATOM 496 OE2 GLU A 31 -7.031 -17.491 2.262 1.00 0.00 O ATOM 0 H GLU A 31 -5.521 -13.508 2.628 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.109 -15.143 0.315 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.371 -13.226 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.425 -14.503 -0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.926 -15.038 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.533 -14.992 2.049 1.00 0.00 H new ATOM 503 N ASP A 32 -4.624 -11.972 0.059 1.00 0.00 N ATOM 504 CA ASP A 32 -4.211 -10.897 -0.835 1.00 0.00 C ATOM 505 C ASP A 32 -2.728 -11.011 -1.174 1.00 0.00 C ATOM 506 O ASP A 32 -2.326 -10.820 -2.322 1.00 0.00 O ATOM 507 CB ASP A 32 -4.498 -9.536 -0.198 1.00 0.00 C ATOM 508 CG ASP A 32 -5.890 -9.029 -0.520 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.236 -8.965 -1.719 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.633 -8.695 0.426 1.00 0.00 O ATOM 0 H ASP A 32 -4.533 -11.754 1.051 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.784 -10.986 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.383 -9.613 0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.761 -8.812 -0.546 1.00 0.00 H new ATOM 515 N TYR A 33 -1.919 -11.323 -0.167 1.00 0.00 N ATOM 516 CA TYR A 33 -0.480 -11.459 -0.357 1.00 0.00 C ATOM 517 C TYR A 33 -0.169 -12.455 -1.470 1.00 0.00 C ATOM 518 O TYR A 33 0.616 -12.167 -2.373 1.00 0.00 O ATOM 519 CB TYR A 33 0.187 -11.906 0.944 1.00 0.00 C ATOM 520 CG TYR A 33 0.223 -10.831 2.007 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.655 -9.545 1.708 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.174 -11.102 3.311 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.690 -8.560 2.676 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.144 -10.123 4.285 1.00 0.00 C ATOM 525 CZ TYR A 33 0.289 -8.854 3.963 1.00 0.00 C ATOM 526 OH TYR A 33 0.322 -7.876 4.930 1.00 0.00 O ATOM 0 H TYR A 33 -2.236 -11.486 0.789 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.083 -10.485 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.344 -12.774 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.206 -12.226 0.728 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.969 -9.311 0.701 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.512 -12.095 3.567 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.029 -7.565 2.427 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.458 -10.350 5.293 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.579 -7.743 5.291 1.00 0.00 H new ATOM 536 N GLN A 34 -0.792 -13.627 -1.397 1.00 0.00 N ATOM 537 CA GLN A 34 -0.582 -14.667 -2.397 1.00 0.00 C ATOM 538 C GLN A 34 -0.756 -14.109 -3.806 1.00 0.00 C ATOM 539 O GLN A 34 -0.226 -14.658 -4.773 1.00 0.00 O ATOM 540 CB GLN A 34 -1.554 -15.826 -2.171 1.00 0.00 C ATOM 541 CG GLN A 34 -2.987 -15.503 -2.563 1.00 0.00 C ATOM 542 CD GLN A 34 -3.801 -16.744 -2.872 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.538 -17.446 -3.850 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.796 -17.023 -2.039 1.00 0.00 N ATOM 0 H GLN A 34 -1.446 -13.880 -0.656 1.00 0.00 H new ATOM 0 HA GLN A 34 0.439 -15.034 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.216 -16.690 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.529 -16.110 -1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.466 -14.951 -1.754 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.983 -14.849 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.979 -16.414 -1.241 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.378 -17.846 -2.197 1.00 0.00 H new ATOM 553 N LYS A 35 -1.503 -13.016 -3.916 1.00 0.00 N ATOM 554 CA LYS A 35 -1.747 -12.382 -5.206 1.00 0.00 C ATOM 555 C LYS A 35 -0.697 -11.314 -5.496 1.00 0.00 C ATOM 556 O LYS A 35 -0.203 -11.202 -6.618 1.00 0.00 O ATOM 557 CB LYS A 35 -3.145 -11.760 -5.236 1.00 0.00 C ATOM 558 CG LYS A 35 -3.449 -11.007 -6.519 1.00 0.00 C ATOM 559 CD LYS A 35 -3.044 -9.546 -6.418 1.00 0.00 C ATOM 560 CE LYS A 35 -4.182 -8.687 -5.889 1.00 0.00 C ATOM 561 NZ LYS A 35 -4.513 -9.015 -4.474 1.00 0.00 N ATOM 0 H LYS A 35 -1.950 -12.550 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.681 -13.149 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.887 -12.548 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.248 -11.078 -4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.922 -11.475 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.514 -11.076 -6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.180 -9.452 -5.761 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.739 -9.183 -7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.908 -7.635 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.065 -8.831 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.157 -8.293 -4.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.973 -9.947 -4.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.640 -9.035 -3.909 1.00 0.00 H new ATOM 575 N LEU A 36 -0.360 -10.532 -4.476 1.00 0.00 N ATOM 576 CA LEU A 36 0.633 -9.473 -4.621 1.00 0.00 C ATOM 577 C LEU A 36 1.949 -10.029 -5.156 1.00 0.00 C ATOM 578 O LEU A 36 2.640 -9.373 -5.934 1.00 0.00 O ATOM 579 CB LEU A 36 0.869 -8.780 -3.277 1.00 0.00 C ATOM 580 CG LEU A 36 -0.222 -7.810 -2.822 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.027 -7.359 -1.391 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.293 -6.611 -3.756 1.00 0.00 C ATOM 0 H LEU A 36 -0.759 -10.611 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 36 0.249 -8.746 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.988 -9.547 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.812 -8.235 -3.332 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.180 -8.329 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.760 -6.669 -1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.026 -8.226 -0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.993 -6.858 -1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.075 -5.931 -3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.665 -6.091 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.520 -6.950 -4.767 1.00 0.00 H new ATOM 594 N GLU A 37 2.286 -11.244 -4.735 1.00 0.00 N ATOM 595 CA GLU A 37 3.519 -11.889 -5.174 1.00 0.00 C ATOM 596 C GLU A 37 3.417 -12.320 -6.634 1.00 0.00 C ATOM 597 O GLU A 37 4.401 -12.751 -7.234 1.00 0.00 O ATOM 598 CB GLU A 37 3.828 -13.101 -4.293 1.00 0.00 C ATOM 599 CG GLU A 37 2.626 -14.000 -4.051 1.00 0.00 C ATOM 600 CD GLU A 37 3.022 -15.423 -3.709 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.217 -15.658 -3.433 1.00 0.00 O ATOM 602 OE2 GLU A 37 2.135 -16.303 -3.718 1.00 0.00 O ATOM 0 H GLU A 37 1.724 -11.801 -4.092 1.00 0.00 H new ATOM 0 HA GLU A 37 4.330 -11.166 -5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.621 -13.686 -4.759 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.211 -12.754 -3.333 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.027 -13.588 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.996 -14.006 -4.941 1.00 0.00 H new ATOM 609 N GLN A 38 2.219 -12.201 -7.198 1.00 0.00 N ATOM 610 CA GLN A 38 1.988 -12.579 -8.588 1.00 0.00 C ATOM 611 C GLN A 38 1.971 -11.350 -9.491 1.00 0.00 C ATOM 612 O GLN A 38 2.265 -11.441 -10.683 1.00 0.00 O ATOM 613 CB GLN A 38 0.668 -13.341 -8.718 1.00 0.00 C ATOM 614 CG GLN A 38 0.496 -14.034 -10.060 1.00 0.00 C ATOM 615 CD GLN A 38 1.383 -15.255 -10.205 1.00 0.00 C ATOM 616 OE1 GLN A 38 2.594 -15.137 -10.394 1.00 0.00 O ATOM 617 NE2 GLN A 38 0.783 -16.436 -10.116 1.00 0.00 N ATOM 0 H GLN A 38 1.394 -11.846 -6.714 1.00 0.00 H new ATOM 0 HA GLN A 38 2.806 -13.227 -8.903 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.608 -14.085 -7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.159 -12.647 -8.568 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.546 -14.330 -10.180 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.721 -13.329 -10.860 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.224 -16.486 -9.959 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.329 -17.293 -10.205 1.00 0.00 H new ATOM 626 N ILE A 39 1.625 -10.204 -8.915 1.00 0.00 N ATOM 627 CA ILE A 39 1.570 -8.957 -9.669 1.00 0.00 C ATOM 628 C ILE A 39 2.893 -8.204 -9.582 1.00 0.00 C ATOM 629 O ILE A 39 3.289 -7.511 -10.520 1.00 0.00 O ATOM 630 CB ILE A 39 0.438 -8.044 -9.164 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.180 -8.289 -7.676 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.830 -8.275 -9.973 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.639 -7.202 -7.017 1.00 0.00 C ATOM 0 H ILE A 39 1.379 -10.113 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 39 1.374 -9.224 -10.708 1.00 0.00 H new ATOM 0 HB ILE A 39 0.744 -7.006 -9.294 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.334 -9.243 -7.557 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.136 -8.376 -7.159 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.621 -7.622 -9.604 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.637 -8.054 -11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.141 -9.315 -9.873 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.782 -7.442 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.116 -6.249 -7.104 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.610 -7.130 -7.508 1.00 0.00 H new ATOM 645 N THR A 40 3.576 -8.346 -8.450 1.00 0.00 N ATOM 646 CA THR A 40 4.855 -7.680 -8.240 1.00 0.00 C ATOM 647 C THR A 40 6.018 -8.635 -8.481 1.00 0.00 C ATOM 648 O THR A 40 7.128 -8.210 -8.800 1.00 0.00 O ATOM 649 CB THR A 40 4.963 -7.107 -6.814 1.00 0.00 C ATOM 650 OG1 THR A 40 4.861 -8.163 -5.853 1.00 0.00 O ATOM 651 CG2 THR A 40 3.872 -6.077 -6.561 1.00 0.00 C ATOM 0 H THR A 40 3.264 -8.917 -7.664 1.00 0.00 H new ATOM 0 HA THR A 40 4.906 -6.861 -8.957 1.00 0.00 H new ATOM 0 HB THR A 40 5.932 -6.618 -6.715 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.918 -8.388 -5.713 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.968 -5.686 -5.548 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.970 -5.260 -7.276 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.895 -6.546 -6.678 1.00 0.00 H new ATOM 659 N GLY A 41 5.757 -9.930 -8.325 1.00 0.00 N ATOM 660 CA GLY A 41 6.793 -10.926 -8.531 1.00 0.00 C ATOM 661 C GLY A 41 7.693 -11.083 -7.322 1.00 0.00 C ATOM 662 O GLY A 41 8.705 -11.783 -7.378 1.00 0.00 O ATOM 0 H GLY A 41 4.847 -10.307 -8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.330 -11.885 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.396 -10.646 -9.395 1.00 0.00 H new ATOM 666 N LEU A 42 7.328 -10.429 -6.225 1.00 0.00 N ATOM 667 CA LEU A 42 8.111 -10.498 -4.996 1.00 0.00 C ATOM 668 C LEU A 42 7.483 -11.471 -4.003 1.00 0.00 C ATOM 669 O LEU A 42 6.262 -11.562 -3.873 1.00 0.00 O ATOM 670 CB LEU A 42 8.227 -9.110 -4.363 1.00 0.00 C ATOM 671 CG LEU A 42 9.109 -8.105 -5.105 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.735 -6.682 -4.721 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.579 -8.369 -4.815 1.00 0.00 C ATOM 0 H LEU A 42 6.494 -9.845 -6.161 1.00 0.00 H new ATOM 0 HA LEU A 42 9.107 -10.860 -5.250 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.226 -8.688 -4.274 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.615 -9.226 -3.351 1.00 0.00 H new ATOM 0 HG LEU A 42 8.944 -8.226 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.373 -5.980 -5.259 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.693 -6.497 -4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.871 -6.547 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.192 -7.644 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.761 -8.276 -3.744 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.839 -9.376 -5.141 1.00 0.00 H new ATOM 685 N PRO A 43 8.336 -12.216 -3.285 1.00 0.00 N ATOM 686 CA PRO A 43 7.887 -13.194 -2.289 1.00 0.00 C ATOM 687 C PRO A 43 6.873 -12.606 -1.315 1.00 0.00 C ATOM 688 O PRO A 43 6.903 -11.411 -1.018 1.00 0.00 O ATOM 689 CB PRO A 43 9.177 -13.570 -1.555 1.00 0.00 C ATOM 690 CG PRO A 43 10.265 -13.293 -2.535 1.00 0.00 C ATOM 691 CD PRO A 43 9.804 -12.161 -3.388 1.00 0.00 C ATOM 0 HA PRO A 43 7.380 -14.041 -2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.302 -12.980 -0.647 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.171 -14.618 -1.256 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.191 -13.036 -2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.471 -14.175 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.194 -11.208 -3.032 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.137 -12.276 -4.419 1.00 0.00 H new ATOM 699 N ARG A 44 5.975 -13.452 -0.820 1.00 0.00 N ATOM 700 CA ARG A 44 4.951 -13.015 0.121 1.00 0.00 C ATOM 701 C ARG A 44 5.578 -12.305 1.317 1.00 0.00 C ATOM 702 O ARG A 44 5.112 -11.256 1.762 1.00 0.00 O ATOM 703 CB ARG A 44 4.124 -14.210 0.599 1.00 0.00 C ATOM 704 CG ARG A 44 4.017 -15.326 -0.427 1.00 0.00 C ATOM 705 CD ARG A 44 2.916 -16.311 -0.066 1.00 0.00 C ATOM 706 NE ARG A 44 2.535 -17.147 -1.201 1.00 0.00 N ATOM 707 CZ ARG A 44 1.658 -18.142 -1.120 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.075 -18.423 0.037 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.363 -18.857 -2.198 1.00 0.00 N ATOM 0 H ARG A 44 5.936 -14.444 -1.055 1.00 0.00 H new ATOM 0 HA ARG A 44 4.297 -12.312 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.569 -14.608 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.122 -13.868 0.857 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.817 -14.900 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.969 -15.852 -0.495 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.252 -16.945 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.043 -15.764 0.290 1.00 0.00 H new ATOM 0 HE ARG A 44 2.966 -16.957 -2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.299 -17.875 0.867 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.402 -19.187 0.097 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.810 -18.643 -3.090 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.690 -19.621 -2.135 1.00 0.00 H new ATOM 723 N PRO A 45 6.660 -12.890 1.852 1.00 0.00 N ATOM 724 CA PRO A 45 7.374 -12.331 3.003 1.00 0.00 C ATOM 725 C PRO A 45 8.022 -10.987 2.687 1.00 0.00 C ATOM 726 O PRO A 45 8.222 -10.160 3.576 1.00 0.00 O ATOM 727 CB PRO A 45 8.445 -13.383 3.302 1.00 0.00 C ATOM 728 CG PRO A 45 7.975 -14.611 2.601 1.00 0.00 C ATOM 729 CD PRO A 45 7.270 -14.142 1.373 1.00 0.00 C ATOM 0 HA PRO A 45 6.705 -12.134 3.840 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.422 -13.068 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.545 -13.553 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.813 -15.259 2.346 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.306 -15.191 3.237 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.957 -13.974 0.543 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.524 -14.858 1.029 1.00 0.00 H new ATOM 737 N GLU A 46 8.346 -10.776 1.415 1.00 0.00 N ATOM 738 CA GLU A 46 8.972 -9.532 0.984 1.00 0.00 C ATOM 739 C GLU A 46 7.941 -8.411 0.884 1.00 0.00 C ATOM 740 O GLU A 46 8.263 -7.238 1.076 1.00 0.00 O ATOM 741 CB GLU A 46 9.664 -9.725 -0.367 1.00 0.00 C ATOM 742 CG GLU A 46 10.876 -8.830 -0.563 1.00 0.00 C ATOM 743 CD GLU A 46 11.926 -9.026 0.514 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.779 -9.924 0.356 1.00 0.00 O ATOM 745 OE2 GLU A 46 11.894 -8.280 1.515 1.00 0.00 O ATOM 0 H GLU A 46 8.185 -11.450 0.666 1.00 0.00 H new ATOM 0 HA GLU A 46 9.717 -9.252 1.729 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.972 -10.766 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.947 -9.531 -1.164 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.319 -9.033 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.556 -7.788 -0.568 1.00 0.00 H new ATOM 752 N ILE A 47 6.701 -8.780 0.581 1.00 0.00 N ATOM 753 CA ILE A 47 5.623 -7.807 0.456 1.00 0.00 C ATOM 754 C ILE A 47 4.976 -7.527 1.808 1.00 0.00 C ATOM 755 O ILE A 47 4.695 -6.377 2.146 1.00 0.00 O ATOM 756 CB ILE A 47 4.542 -8.288 -0.529 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.184 -8.765 -1.833 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.540 -7.176 -0.801 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.199 -9.380 -2.803 1.00 0.00 C ATOM 0 H ILE A 47 6.418 -9.746 0.417 1.00 0.00 H new ATOM 0 HA ILE A 47 6.069 -6.889 0.073 1.00 0.00 H new ATOM 0 HB ILE A 47 4.011 -9.127 -0.080 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.678 -7.921 -2.315 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.958 -9.497 -1.601 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.782 -7.532 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.062 -6.880 0.133 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.056 -6.318 -1.232 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.725 -9.695 -3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.723 -10.244 -2.339 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.439 -8.644 -3.065 1.00 0.00 H new ATOM 771 N ILE A 48 4.743 -8.586 2.577 1.00 0.00 N ATOM 772 CA ILE A 48 4.132 -8.453 3.893 1.00 0.00 C ATOM 773 C ILE A 48 4.894 -7.453 4.756 1.00 0.00 C ATOM 774 O ILE A 48 4.305 -6.536 5.326 1.00 0.00 O ATOM 775 CB ILE A 48 4.075 -9.807 4.626 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.172 -10.783 3.869 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.580 -9.616 6.052 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.503 -12.237 4.129 1.00 0.00 C ATOM 0 H ILE A 48 4.968 -9.545 2.311 1.00 0.00 H new ATOM 0 HA ILE A 48 3.116 -8.091 3.734 1.00 0.00 H new ATOM 0 HB ILE A 48 5.080 -10.226 4.664 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.135 -10.599 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.253 -10.586 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.545 -10.581 6.557 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.258 -8.951 6.587 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.582 -9.179 6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.824 -12.872 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.529 -12.437 3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.395 -12.450 5.192 1.00 0.00 H new ATOM 790 N GLN A 49 6.208 -7.636 4.844 1.00 0.00 N ATOM 791 CA GLN A 49 7.051 -6.749 5.636 1.00 0.00 C ATOM 792 C GLN A 49 6.970 -5.316 5.119 1.00 0.00 C ATOM 793 O GLN A 49 6.952 -4.365 5.900 1.00 0.00 O ATOM 794 CB GLN A 49 8.502 -7.231 5.609 1.00 0.00 C ATOM 795 CG GLN A 49 9.335 -6.719 6.773 1.00 0.00 C ATOM 796 CD GLN A 49 10.497 -7.634 7.107 1.00 0.00 C ATOM 797 OE1 GLN A 49 10.508 -8.288 8.150 1.00 0.00 O ATOM 798 NE2 GLN A 49 11.483 -7.686 6.219 1.00 0.00 N ATOM 0 H GLN A 49 6.711 -8.390 4.377 1.00 0.00 H new ATOM 0 HA GLN A 49 6.688 -6.767 6.664 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.514 -8.321 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.964 -6.913 4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.717 -5.727 6.533 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.698 -6.612 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.432 -7.127 5.368 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.291 -8.285 6.388 1.00 0.00 H new ATOM 807 N TRP A 50 6.921 -5.170 3.800 1.00 0.00 N ATOM 808 CA TRP A 50 6.842 -3.853 3.179 1.00 0.00 C ATOM 809 C TRP A 50 5.675 -3.053 3.747 1.00 0.00 C ATOM 810 O TRP A 50 5.839 -1.901 4.153 1.00 0.00 O ATOM 811 CB TRP A 50 6.693 -3.989 1.663 1.00 0.00 C ATOM 812 CG TRP A 50 6.646 -2.672 0.950 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.712 -1.915 0.556 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.473 -1.956 0.548 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.272 -0.771 -0.067 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.903 -0.773 -0.085 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.101 -2.199 0.660 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.009 0.161 -0.602 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.216 -1.271 0.147 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.672 -0.103 -0.478 1.00 0.00 C ATOM 0 H TRP A 50 6.935 -5.947 3.140 1.00 0.00 H new ATOM 0 HA TRP A 50 7.766 -3.319 3.399 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.526 -4.575 1.274 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.782 -4.546 1.443 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.748 -2.176 0.711 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.869 -0.039 -0.453 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.739 -3.097 1.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.358 1.062 -1.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.154 -1.449 0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.954 0.603 -0.870 1.00 0.00 H new ATOM 831 N PHE A 51 4.498 -3.668 3.774 1.00 0.00 N ATOM 832 CA PHE A 51 3.304 -3.012 4.293 1.00 0.00 C ATOM 833 C PHE A 51 3.550 -2.463 5.695 1.00 0.00 C ATOM 834 O PHE A 51 3.131 -1.353 6.021 1.00 0.00 O ATOM 835 CB PHE A 51 2.127 -3.991 4.315 1.00 0.00 C ATOM 836 CG PHE A 51 1.371 -4.049 3.019 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.804 -4.862 1.985 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.226 -3.290 2.835 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.110 -4.919 0.791 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.472 -3.342 1.644 1.00 0.00 C ATOM 841 CZ PHE A 51 -0.029 -4.157 0.620 1.00 0.00 C ATOM 0 H PHE A 51 4.345 -4.620 3.442 1.00 0.00 H new ATOM 0 HA PHE A 51 3.062 -2.179 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.498 -4.987 4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.442 -3.705 5.113 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.695 -5.459 2.113 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.124 -2.651 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.458 -5.558 -0.007 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.363 -2.746 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.572 -4.198 -0.312 1.00 0.00 H new ATOM 851 N GLY A 52 4.233 -3.250 6.521 1.00 0.00 N ATOM 852 CA GLY A 52 4.523 -2.826 7.878 1.00 0.00 C ATOM 853 C GLY A 52 5.353 -1.559 7.925 1.00 0.00 C ATOM 854 O GLY A 52 5.017 -0.615 8.640 1.00 0.00 O ATOM 0 H GLY A 52 4.590 -4.173 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.587 -2.663 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.053 -3.623 8.399 1.00 0.00 H new ATOM 858 N ASP A 53 6.441 -1.537 7.163 1.00 0.00 N ATOM 859 CA ASP A 53 7.322 -0.377 7.121 1.00 0.00 C ATOM 860 C ASP A 53 6.616 0.820 6.491 1.00 0.00 C ATOM 861 O ASP A 53 6.734 1.948 6.971 1.00 0.00 O ATOM 862 CB ASP A 53 8.594 -0.704 6.337 1.00 0.00 C ATOM 863 CG ASP A 53 9.790 0.097 6.813 1.00 0.00 C ATOM 864 OD1 ASP A 53 10.075 0.073 8.029 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.442 0.748 5.970 1.00 0.00 O ATOM 0 H ASP A 53 6.734 -2.310 6.566 1.00 0.00 H new ATOM 0 HA ASP A 53 7.591 -0.120 8.145 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.812 -1.768 6.431 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.426 -0.506 5.278 1.00 0.00 H new ATOM 870 N THR A 54 5.881 0.567 5.413 1.00 0.00 N ATOM 871 CA THR A 54 5.157 1.622 4.716 1.00 0.00 C ATOM 872 C THR A 54 4.308 2.438 5.684 1.00 0.00 C ATOM 873 O THR A 54 4.250 3.665 5.592 1.00 0.00 O ATOM 874 CB THR A 54 4.248 1.047 3.613 1.00 0.00 C ATOM 875 OG1 THR A 54 4.992 0.146 2.785 1.00 0.00 O ATOM 876 CG2 THR A 54 3.661 2.161 2.760 1.00 0.00 C ATOM 0 H THR A 54 5.771 -0.361 5.003 1.00 0.00 H new ATOM 0 HA THR A 54 5.905 2.269 4.258 1.00 0.00 H new ATOM 0 HB THR A 54 3.430 0.508 4.091 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.108 -0.708 3.252 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.023 1.731 1.988 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.071 2.828 3.388 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.468 2.724 2.291 1.00 0.00 H new ATOM 884 N ARG A 55 3.652 1.751 6.613 1.00 0.00 N ATOM 885 CA ARG A 55 2.805 2.412 7.598 1.00 0.00 C ATOM 886 C ARG A 55 3.624 3.363 8.467 1.00 0.00 C ATOM 887 O ARG A 55 3.269 4.530 8.632 1.00 0.00 O ATOM 888 CB ARG A 55 2.104 1.376 8.477 1.00 0.00 C ATOM 889 CG ARG A 55 1.045 0.570 7.743 1.00 0.00 C ATOM 890 CD ARG A 55 0.120 -0.149 8.712 1.00 0.00 C ATOM 891 NE ARG A 55 0.742 -1.343 9.278 1.00 0.00 N ATOM 892 CZ ARG A 55 0.818 -2.505 8.639 1.00 0.00 C ATOM 893 NH1 ARG A 55 0.315 -2.629 7.419 1.00 0.00 N ATOM 894 NH2 ARG A 55 1.400 -3.547 9.221 1.00 0.00 N ATOM 0 H ARG A 55 3.691 0.736 6.704 1.00 0.00 H new ATOM 0 HA ARG A 55 2.053 2.992 7.063 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.850 0.694 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.640 1.884 9.323 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.461 1.232 7.104 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.528 -0.158 7.091 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.160 0.530 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.799 -0.429 8.196 1.00 0.00 H new ATOM 0 HE ARG A 55 1.140 -1.281 10.215 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -0.132 -1.831 6.968 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.375 -3.523 6.931 1.00 0.00 H new ATOM 0 HH21 ARG A 55 1.789 -3.455 10.159 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.458 -4.439 8.730 1.00 0.00 H new ATOM 908 N TYR A 56 4.719 2.854 9.021 1.00 0.00 N ATOM 909 CA TYR A 56 5.586 3.656 9.876 1.00 0.00 C ATOM 910 C TYR A 56 5.924 4.988 9.212 1.00 0.00 C ATOM 911 O TYR A 56 5.697 6.054 9.783 1.00 0.00 O ATOM 912 CB TYR A 56 6.872 2.892 10.194 1.00 0.00 C ATOM 913 CG TYR A 56 8.059 3.788 10.462 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.023 4.739 11.475 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.218 3.685 9.703 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.105 5.561 11.723 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.306 4.502 9.944 1.00 0.00 C ATOM 918 CZ TYR A 56 10.244 5.438 10.955 1.00 0.00 C ATOM 919 OH TYR A 56 11.325 6.254 11.199 1.00 0.00 O ATOM 0 H TYR A 56 5.027 1.890 8.893 1.00 0.00 H new ATOM 0 HA TYR A 56 5.052 3.858 10.805 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.702 2.258 11.064 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.108 2.231 9.360 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.133 4.837 12.079 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.270 2.953 8.910 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.059 6.296 12.513 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.199 4.408 9.344 1.00 0.00 H new ATOM 0 HH TYR A 56 12.046 6.038 10.571 1.00 0.00 H new ATOM 929 N ALA A 57 6.468 4.917 8.002 1.00 0.00 N ATOM 930 CA ALA A 57 6.835 6.116 7.258 1.00 0.00 C ATOM 931 C ALA A 57 5.642 7.052 7.102 1.00 0.00 C ATOM 932 O ALA A 57 5.738 8.249 7.379 1.00 0.00 O ATOM 933 CB ALA A 57 7.396 5.740 5.895 1.00 0.00 C ATOM 0 H ALA A 57 6.664 4.042 7.516 1.00 0.00 H new ATOM 0 HA ALA A 57 7.605 6.643 7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.666 6.645 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.281 5.117 6.025 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.644 5.188 5.332 1.00 0.00 H new ATOM 939 N LEU A 58 4.518 6.501 6.656 1.00 0.00 N ATOM 940 CA LEU A 58 3.305 7.288 6.462 1.00 0.00 C ATOM 941 C LEU A 58 2.932 8.037 7.737 1.00 0.00 C ATOM 942 O LEU A 58 2.970 9.267 7.782 1.00 0.00 O ATOM 943 CB LEU A 58 2.150 6.382 6.032 1.00 0.00 C ATOM 944 CG LEU A 58 0.747 6.977 6.160 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.372 7.736 4.896 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.271 5.885 6.450 1.00 0.00 C ATOM 0 H LEU A 58 4.422 5.513 6.422 1.00 0.00 H new ATOM 0 HA LEU A 58 3.497 8.019 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.308 6.095 4.992 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.191 5.468 6.625 1.00 0.00 H new ATOM 0 HG LEU A 58 0.745 7.678 6.995 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.629 8.152 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.085 8.544 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.391 7.056 4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.264 6.327 6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.268 5.159 5.637 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.012 5.385 7.384 1.00 0.00 H new ATOM 958 N LYS A 59 2.573 7.287 8.774 1.00 0.00 N ATOM 959 CA LYS A 59 2.196 7.878 10.052 1.00 0.00 C ATOM 960 C LYS A 59 3.100 9.058 10.393 1.00 0.00 C ATOM 961 O LYS A 59 2.648 10.056 10.957 1.00 0.00 O ATOM 962 CB LYS A 59 2.268 6.829 11.164 1.00 0.00 C ATOM 963 CG LYS A 59 2.093 7.406 12.558 1.00 0.00 C ATOM 964 CD LYS A 59 3.424 7.830 13.156 1.00 0.00 C ATOM 965 CE LYS A 59 3.380 7.818 14.677 1.00 0.00 C ATOM 966 NZ LYS A 59 2.586 8.955 15.218 1.00 0.00 N ATOM 0 H LYS A 59 2.535 6.268 8.754 1.00 0.00 H new ATOM 0 HA LYS A 59 1.171 8.240 9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.498 6.077 10.992 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.230 6.319 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.422 8.264 12.516 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.623 6.664 13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.210 7.160 12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.679 8.830 12.806 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.948 6.878 15.020 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.396 7.865 15.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.580 8.911 16.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.012 9.853 14.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.610 8.896 14.864 1.00 0.00 H new ATOM 980 N HIS A 60 4.377 8.939 10.047 1.00 0.00 N ATOM 981 CA HIS A 60 5.344 9.998 10.315 1.00 0.00 C ATOM 982 C HIS A 60 5.279 11.078 9.240 1.00 0.00 C ATOM 983 O HIS A 60 5.503 12.256 9.515 1.00 0.00 O ATOM 984 CB HIS A 60 6.758 9.420 10.389 1.00 0.00 C ATOM 985 CG HIS A 60 7.079 8.788 11.708 1.00 0.00 C ATOM 986 ND1 HIS A 60 6.664 7.622 12.255 1.00 0.00 N flip ATOM 987 CD2 HIS A 60 7.921 9.367 12.635 1.00 0.00 C flip ATOM 988 CE1 HIS A 60 7.258 7.517 13.489 1.00 0.00 C flip ATOM 989 NE2 HIS A 60 8.011 8.583 13.694 1.00 0.00 N flip ATOM 0 H HIS A 60 4.767 8.120 9.580 1.00 0.00 H new ATOM 0 HA HIS A 60 5.094 10.450 11.275 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.880 8.677 9.601 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.477 10.215 10.192 1.00 0.00 H new ATOM 0 HD1 HIS A 60 6.028 6.947 11.830 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.427 10.313 12.514 1.00 0.00 H new ATOM 0 HE1 HIS A 60 7.130 6.696 14.179 1.00 0.00 H new ATOM 998 N GLY A 61 4.970 10.668 8.013 1.00 0.00 N ATOM 999 CA GLY A 61 4.882 11.613 6.916 1.00 0.00 C ATOM 1000 C GLY A 61 6.042 11.488 5.948 1.00 0.00 C ATOM 1001 O GLY A 61 6.616 12.491 5.526 1.00 0.00 O ATOM 0 H GLY A 61 4.779 9.698 7.760 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.946 11.456 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.854 12.627 7.315 1.00 0.00 H new ATOM 1005 N GLN A 62 6.387 10.253 5.598 1.00 0.00 N ATOM 1006 CA GLN A 62 7.488 10.001 4.675 1.00 0.00 C ATOM 1007 C GLN A 62 6.967 9.700 3.274 1.00 0.00 C ATOM 1008 O GLN A 62 7.517 10.176 2.280 1.00 0.00 O ATOM 1009 CB GLN A 62 8.343 8.835 5.175 1.00 0.00 C ATOM 1010 CG GLN A 62 9.413 9.250 6.173 1.00 0.00 C ATOM 1011 CD GLN A 62 10.638 8.359 6.119 1.00 0.00 C ATOM 1012 OE1 GLN A 62 11.424 8.422 5.172 1.00 0.00 O ATOM 1013 NE2 GLN A 62 10.809 7.523 7.136 1.00 0.00 N ATOM 0 H GLN A 62 5.921 9.412 5.939 1.00 0.00 H new ATOM 0 HA GLN A 62 8.102 10.900 4.628 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.694 8.092 5.638 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.821 8.353 4.322 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.709 10.280 5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.995 9.226 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.133 7.504 7.900 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.616 6.900 7.154 1.00 0.00 H new ATOM 1022 N LEU A 63 5.903 8.908 3.202 1.00 0.00 N ATOM 1023 CA LEU A 63 5.306 8.543 1.922 1.00 0.00 C ATOM 1024 C LEU A 63 5.028 9.783 1.077 1.00 0.00 C ATOM 1025 O LEU A 63 4.128 10.566 1.382 1.00 0.00 O ATOM 1026 CB LEU A 63 4.010 7.762 2.145 1.00 0.00 C ATOM 1027 CG LEU A 63 4.150 6.243 2.246 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.176 5.872 3.306 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.805 5.603 2.556 1.00 0.00 C ATOM 0 H LEU A 63 5.436 8.506 4.015 1.00 0.00 H new ATOM 0 HA LEU A 63 6.015 7.912 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.544 8.125 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.327 7.990 1.327 1.00 0.00 H new ATOM 0 HG LEU A 63 4.497 5.864 1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.263 4.787 3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.143 6.300 3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.858 6.263 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.924 4.522 2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.429 5.987 3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.097 5.841 1.762 1.00 0.00 H new ATOM 1041 N LYS A 64 5.805 9.954 0.013 1.00 0.00 N ATOM 1042 CA LYS A 64 5.641 11.096 -0.879 1.00 0.00 C ATOM 1043 C LYS A 64 4.427 10.910 -1.783 1.00 0.00 C ATOM 1044 O LYS A 64 3.895 11.876 -2.330 1.00 0.00 O ATOM 1045 CB LYS A 64 6.899 11.290 -1.729 1.00 0.00 C ATOM 1046 CG LYS A 64 7.223 10.100 -2.615 1.00 0.00 C ATOM 1047 CD LYS A 64 6.557 10.218 -3.975 1.00 0.00 C ATOM 1048 CE LYS A 64 7.308 11.181 -4.882 1.00 0.00 C ATOM 1049 NZ LYS A 64 6.504 11.559 -6.076 1.00 0.00 N ATOM 0 H LYS A 64 6.555 9.316 -0.253 1.00 0.00 H new ATOM 0 HA LYS A 64 5.483 11.984 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.772 12.174 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.746 11.484 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.303 10.024 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.895 9.182 -2.127 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.510 9.236 -4.445 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.530 10.561 -3.850 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.570 12.078 -4.321 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.243 10.722 -5.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.051 12.216 -6.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.275 10.706 -6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.623 12.020 -5.770 1.00 0.00 H new ATOM 1063 N TRP A 65 3.993 9.664 -1.934 1.00 0.00 N ATOM 1064 CA TRP A 65 2.840 9.353 -2.772 1.00 0.00 C ATOM 1065 C TRP A 65 1.555 9.359 -1.952 1.00 0.00 C ATOM 1066 O TRP A 65 0.495 9.749 -2.444 1.00 0.00 O ATOM 1067 CB TRP A 65 3.025 7.991 -3.443 1.00 0.00 C ATOM 1068 CG TRP A 65 3.638 6.963 -2.542 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.963 6.826 -2.237 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.952 5.927 -1.832 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.141 5.767 -1.380 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.922 5.199 -1.115 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.612 5.544 -1.729 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.593 4.112 -0.310 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.287 4.464 -0.930 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.273 3.759 -0.228 1.00 0.00 C ATOM 0 H TRP A 65 4.421 8.853 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 65 2.762 10.122 -3.541 1.00 0.00 H new ATOM 0 HB2 TRP A 65 2.056 7.630 -3.788 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.653 8.111 -4.325 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.754 7.457 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.035 5.454 -1.002 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.844 6.082 -2.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.352 3.567 0.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.255 4.158 -0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 65 1.986 2.921 0.390 1.00 0.00 H new ATOM 1087 N PHE A 66 1.654 8.926 -0.700 1.00 0.00 N ATOM 1088 CA PHE A 66 0.498 8.881 0.188 1.00 0.00 C ATOM 1089 C PHE A 66 0.132 10.280 0.674 1.00 0.00 C ATOM 1090 O PHE A 66 1.006 11.091 0.980 1.00 0.00 O ATOM 1091 CB PHE A 66 0.782 7.971 1.385 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.446 7.306 1.937 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.479 8.061 2.469 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.568 5.926 1.925 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.611 7.453 2.977 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.698 5.312 2.432 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.720 6.076 2.960 1.00 0.00 C ATOM 0 H PHE A 66 2.523 8.601 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.345 8.478 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.498 7.205 1.087 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.253 8.558 2.174 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.398 9.138 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.229 5.323 1.515 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.410 8.054 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.781 4.235 2.415 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.603 5.598 3.359 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.167 10.555 0.743 1.00 0.00 N ATOM 1108 CA ARG A 67 -1.650 11.856 1.190 1.00 0.00 C ATOM 1109 C ARG A 67 -0.795 12.388 2.337 1.00 0.00 C ATOM 1110 O ARG A 67 -0.366 11.631 3.208 1.00 0.00 O ATOM 1111 CB ARG A 67 -3.111 11.757 1.632 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.095 11.711 0.475 1.00 0.00 C ATOM 1113 CD ARG A 67 -4.483 13.108 0.017 1.00 0.00 C ATOM 1114 NE ARG A 67 -5.551 13.676 0.836 1.00 0.00 N ATOM 1115 CZ ARG A 67 -6.053 14.891 0.649 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -5.587 15.662 -0.324 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -7.023 15.338 1.436 1.00 0.00 N ATOM 0 H ARG A 67 -1.903 9.894 0.495 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.577 12.550 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.238 10.862 2.241 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.349 12.611 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -3.654 11.164 -0.358 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -4.989 11.165 0.778 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.609 13.759 0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -4.805 13.072 -1.024 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.932 13.108 1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.841 15.322 -0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.974 16.595 -0.465 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.384 14.748 2.186 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.408 16.272 1.291 1.00 0.00 H new ATOM 1131 N ASP A 68 -0.552 13.694 2.329 1.00 0.00 N ATOM 1132 CA ASP A 68 0.251 14.328 3.369 1.00 0.00 C ATOM 1133 C ASP A 68 -0.640 14.967 4.430 1.00 0.00 C ATOM 1134 O ASP A 68 -0.943 16.157 4.365 1.00 0.00 O ATOM 1135 CB ASP A 68 1.174 15.384 2.758 1.00 0.00 C ATOM 1136 CG ASP A 68 0.520 16.132 1.613 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -0.307 17.027 1.885 1.00 0.00 O ATOM 1138 OD2 ASP A 68 0.835 15.822 0.445 1.00 0.00 O ATOM 0 H ASP A 68 -0.899 14.334 1.615 1.00 0.00 H new ATOM 0 HA ASP A 68 0.858 13.558 3.845 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.470 16.094 3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.085 14.903 2.401 1.00 0.00 H new ATOM 1143 N ASN A 69 -1.057 14.166 5.405 1.00 0.00 N ATOM 1144 CA ASN A 69 -1.915 14.653 6.479 1.00 0.00 C ATOM 1145 C ASN A 69 -1.125 14.818 7.774 1.00 0.00 C ATOM 1146 O ASN A 69 -0.862 13.845 8.481 1.00 0.00 O ATOM 1147 CB ASN A 69 -3.085 13.692 6.701 1.00 0.00 C ATOM 1148 CG ASN A 69 -4.251 13.976 5.774 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -4.070 14.498 4.674 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -5.455 13.634 6.216 1.00 0.00 N ATOM 0 H ASN A 69 -0.815 13.178 5.474 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.305 15.628 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.744 12.668 6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.421 13.766 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.278 13.802 5.637 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.558 13.204 7.135 1.00 0.00 H new ATOM 1157 N ALA A 70 -0.750 16.056 8.079 1.00 0.00 N ATOM 1158 CA ALA A 70 0.007 16.349 9.289 1.00 0.00 C ATOM 1159 C ALA A 70 1.389 15.704 9.242 1.00 0.00 C ATOM 1160 O ALA A 70 1.888 15.209 10.253 1.00 0.00 O ATOM 1161 CB ALA A 70 -0.756 15.876 10.517 1.00 0.00 C ATOM 0 H ALA A 70 -0.958 16.872 7.504 1.00 0.00 H new ATOM 0 HA ALA A 70 0.140 17.429 9.351 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.178 16.101 11.413 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.718 16.387 10.567 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.919 14.800 10.452 1.00 0.00 H new ATOM 1167 N SER A 71 2.001 15.713 8.062 1.00 0.00 N ATOM 1168 CA SER A 71 3.323 15.125 7.883 1.00 0.00 C ATOM 1169 C SER A 71 4.414 16.100 8.314 1.00 0.00 C ATOM 1170 O SER A 71 4.164 17.291 8.491 1.00 0.00 O ATOM 1171 CB SER A 71 3.531 14.722 6.422 1.00 0.00 C ATOM 1172 OG SER A 71 2.651 13.675 6.051 1.00 0.00 O ATOM 0 H SER A 71 1.603 16.121 7.216 1.00 0.00 H new ATOM 0 HA SER A 71 3.386 14.236 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.367 15.585 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.563 14.404 6.273 1.00 0.00 H new ATOM 0 HG SER A 71 2.803 13.437 5.112 1.00 0.00 H new ATOM 1178 N GLY A 72 5.629 15.584 8.481 1.00 0.00 N ATOM 1179 CA GLY A 72 6.741 16.421 8.890 1.00 0.00 C ATOM 1180 C GLY A 72 6.391 17.319 10.060 1.00 0.00 C ATOM 1181 O GLY A 72 5.458 17.052 10.818 1.00 0.00 O ATOM 0 H GLY A 72 5.862 14.601 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.587 15.789 9.161 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.059 17.035 8.047 1.00 0.00 H new ATOM 1185 N PRO A 73 7.152 18.412 10.220 1.00 0.00 N ATOM 1186 CA PRO A 73 6.937 19.374 11.305 1.00 0.00 C ATOM 1187 C PRO A 73 5.652 20.176 11.123 1.00 0.00 C ATOM 1188 O PRO A 73 5.481 20.873 10.123 1.00 0.00 O ATOM 1189 CB PRO A 73 8.158 20.293 11.212 1.00 0.00 C ATOM 1190 CG PRO A 73 8.596 20.197 9.792 1.00 0.00 C ATOM 1191 CD PRO A 73 8.280 18.793 9.355 1.00 0.00 C ATOM 0 HA PRO A 73 6.830 18.881 12.271 1.00 0.00 H new ATOM 0 HB2 PRO A 73 7.903 21.319 11.479 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.947 19.973 11.892 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.073 20.926 9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 73 9.662 20.405 9.698 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.009 18.752 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.133 18.128 9.491 1.00 0.00 H new ATOM 1199 N SER A 74 4.752 20.072 12.096 1.00 0.00 N ATOM 1200 CA SER A 74 3.481 20.785 12.041 1.00 0.00 C ATOM 1201 C SER A 74 3.576 22.120 12.773 1.00 0.00 C ATOM 1202 O SER A 74 3.809 22.164 13.980 1.00 0.00 O ATOM 1203 CB SER A 74 2.368 19.933 12.652 1.00 0.00 C ATOM 1204 OG SER A 74 2.223 18.707 11.956 1.00 0.00 O ATOM 0 H SER A 74 4.880 19.501 12.932 1.00 0.00 H new ATOM 0 HA SER A 74 3.246 20.980 10.995 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.591 19.735 13.700 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.428 20.484 12.625 1.00 0.00 H new ATOM 0 HG SER A 74 1.506 18.180 12.367 1.00 0.00 H new ATOM 1210 N SER A 75 3.392 23.208 12.031 1.00 0.00 N ATOM 1211 CA SER A 75 3.460 24.546 12.608 1.00 0.00 C ATOM 1212 C SER A 75 2.063 25.076 12.916 1.00 0.00 C ATOM 1213 O SER A 75 1.354 25.544 12.026 1.00 0.00 O ATOM 1214 CB SER A 75 4.180 25.500 11.653 1.00 0.00 C ATOM 1215 OG SER A 75 4.714 26.612 12.349 1.00 0.00 O ATOM 0 H SER A 75 3.195 23.189 11.030 1.00 0.00 H new ATOM 0 HA SER A 75 4.021 24.485 13.541 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.982 24.969 11.140 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.486 25.846 10.887 1.00 0.00 H new ATOM 0 HG SER A 75 5.170 27.205 11.717 1.00 0.00 H new ATOM 1221 N GLY A 76 1.674 24.999 14.185 1.00 0.00 N ATOM 1222 CA GLY A 76 0.364 25.474 14.590 1.00 0.00 C ATOM 1223 C GLY A 76 0.013 26.810 13.965 1.00 0.00 C ATOM 1224 O GLY A 76 -1.162 27.156 13.842 1.00 0.00 O ATOM 0 H GLY A 76 2.243 24.616 14.940 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.389 24.737 14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.334 25.565 15.676 1.00 0.00 H new TER 1228 GLY A 76