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+ 180:sc= 0 (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+ -159:sc= -1.19 (180deg=-1.95) 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= -6.53! C(o=-6.5!,f=-12!) 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 -105:sc= 1.26 USER MOD Single : A 26 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.45) USER MOD Single : A 33 TYR OH : rot 127:sc= 0.177 USER MOD Single : A 34 GLN : amide:sc= -0.377 K(o=-0.38,f=-1.4!) USER MOD Single : A 35 LYS NZ :NH3+ -129:sc= -0.186 (180deg=-0.932) USER MOD Single : A 38 GLN : amide:sc= -0.0373 X(o=-0.037,f=-0.038) USER MOD Single : A 40 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot -177:sc= 1.08 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -160:sc= -0.0367 (180deg=-0.279) USER MOD Single : A 60 HIS : no HD1:sc= -6.03! C(o=-6!,f=-5.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -121:sc= 0.31 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.019) 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 15.227 -18.760 -2.575 1.00 0.00 N ATOM 2 CA GLY A 1 15.801 -19.987 -3.094 1.00 0.00 C ATOM 3 C GLY A 1 15.292 -20.324 -4.482 1.00 0.00 C ATOM 4 O GLY A 1 15.942 -20.015 -5.481 1.00 0.00 O ATOM 0 H1 GLY A 1 15.606 -18.574 -1.625 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.470 -17.969 -3.206 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.193 -18.856 -2.522 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.887 -19.893 -3.121 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.569 -20.808 -2.416 1.00 0.00 H new ATOM 8 N SER A 2 14.127 -20.960 -4.545 1.00 0.00 N ATOM 9 CA SER A 2 13.533 -21.344 -5.820 1.00 0.00 C ATOM 10 C SER A 2 13.135 -20.112 -6.627 1.00 0.00 C ATOM 11 O SER A 2 13.488 -19.984 -7.799 1.00 0.00 O ATOM 12 CB SER A 2 12.310 -22.234 -5.590 1.00 0.00 C ATOM 13 OG SER A 2 11.945 -22.915 -6.778 1.00 0.00 O ATOM 0 H SER A 2 13.575 -21.220 -3.728 1.00 0.00 H new ATOM 0 HA SER A 2 14.278 -21.903 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.525 -22.958 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 2 11.474 -21.626 -5.244 1.00 0.00 H new ATOM 0 HG SER A 2 11.162 -23.478 -6.605 1.00 0.00 H new ATOM 19 N SER A 3 12.397 -19.208 -5.990 1.00 0.00 N ATOM 20 CA SER A 3 11.947 -17.988 -6.649 1.00 0.00 C ATOM 21 C SER A 3 12.181 -16.772 -5.758 1.00 0.00 C ATOM 22 O SER A 3 11.944 -16.818 -4.551 1.00 0.00 O ATOM 23 CB SER A 3 10.464 -18.094 -7.008 1.00 0.00 C ATOM 24 OG SER A 3 10.134 -17.224 -8.076 1.00 0.00 O ATOM 0 H SER A 3 12.098 -19.298 -5.019 1.00 0.00 H new ATOM 0 HA SER A 3 12.526 -17.863 -7.564 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.226 -19.121 -7.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.857 -17.850 -6.136 1.00 0.00 H new ATOM 0 HG SER A 3 9.181 -17.312 -8.287 1.00 0.00 H new ATOM 30 N GLY A 4 12.647 -15.683 -6.362 1.00 0.00 N ATOM 31 CA GLY A 4 12.905 -14.470 -5.609 1.00 0.00 C ATOM 32 C GLY A 4 14.378 -14.277 -5.308 1.00 0.00 C ATOM 33 O GLY A 4 15.092 -15.239 -5.026 1.00 0.00 O ATOM 0 H GLY A 4 12.850 -15.619 -7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.537 -13.612 -6.171 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.347 -14.501 -4.673 1.00 0.00 H new ATOM 37 N SER A 5 14.835 -13.030 -5.369 1.00 0.00 N ATOM 38 CA SER A 5 16.234 -12.715 -5.106 1.00 0.00 C ATOM 39 C SER A 5 16.355 -11.632 -4.037 1.00 0.00 C ATOM 40 O SER A 5 16.330 -10.440 -4.341 1.00 0.00 O ATOM 41 CB SER A 5 16.927 -12.258 -6.391 1.00 0.00 C ATOM 42 OG SER A 5 18.271 -11.887 -6.142 1.00 0.00 O ATOM 0 H SER A 5 14.257 -12.222 -5.598 1.00 0.00 H new ATOM 0 HA SER A 5 16.722 -13.619 -4.741 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.899 -13.060 -7.128 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.387 -11.413 -6.818 1.00 0.00 H new ATOM 0 HG SER A 5 18.692 -11.600 -6.979 1.00 0.00 H new ATOM 48 N SER A 6 16.487 -12.058 -2.785 1.00 0.00 N ATOM 49 CA SER A 6 16.609 -11.126 -1.670 1.00 0.00 C ATOM 50 C SER A 6 17.589 -10.005 -2.003 1.00 0.00 C ATOM 51 O SER A 6 17.228 -8.829 -2.001 1.00 0.00 O ATOM 52 CB SER A 6 17.068 -11.863 -0.410 1.00 0.00 C ATOM 53 OG SER A 6 15.977 -12.494 0.238 1.00 0.00 O ATOM 0 H SER A 6 16.512 -13.042 -2.517 1.00 0.00 H new ATOM 0 HA SER A 6 15.629 -10.685 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.819 -12.608 -0.674 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.544 -11.160 0.274 1.00 0.00 H new ATOM 0 HG SER A 6 16.297 -12.959 1.039 1.00 0.00 H new ATOM 59 N GLY A 7 18.832 -10.380 -2.288 1.00 0.00 N ATOM 60 CA GLY A 7 19.846 -9.396 -2.619 1.00 0.00 C ATOM 61 C GLY A 7 19.282 -8.219 -3.390 1.00 0.00 C ATOM 62 O GLY A 7 19.211 -7.104 -2.872 1.00 0.00 O ATOM 0 H GLY A 7 19.155 -11.347 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.312 -9.036 -1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.630 -9.871 -3.209 1.00 0.00 H new ATOM 66 N LYS A 8 18.881 -8.465 -4.633 1.00 0.00 N ATOM 67 CA LYS A 8 18.321 -7.417 -5.478 1.00 0.00 C ATOM 68 C LYS A 8 17.057 -6.833 -4.855 1.00 0.00 C ATOM 69 O LYS A 8 15.980 -7.422 -4.946 1.00 0.00 O ATOM 70 CB LYS A 8 18.007 -7.970 -6.870 1.00 0.00 C ATOM 71 CG LYS A 8 19.242 -8.381 -7.653 1.00 0.00 C ATOM 72 CD LYS A 8 19.938 -7.179 -8.269 1.00 0.00 C ATOM 73 CE LYS A 8 21.374 -7.502 -8.653 1.00 0.00 C ATOM 74 NZ LYS A 8 22.322 -7.226 -7.539 1.00 0.00 N ATOM 0 H LYS A 8 18.934 -9.382 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 8 19.062 -6.622 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.347 -8.832 -6.769 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.462 -7.216 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.934 -8.905 -6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.959 -9.081 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.389 -6.853 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.927 -6.349 -7.562 1.00 0.00 H new ATOM 0 HE2 LYS A 8 21.446 -8.551 -8.939 1.00 0.00 H new ATOM 0 HE3 LYS A 8 21.658 -6.913 -9.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 23.290 -7.459 -7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.272 -6.219 -7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.067 -7.806 -6.715 1.00 0.00 H new ATOM 88 N ARG A 9 17.196 -5.673 -4.223 1.00 0.00 N ATOM 89 CA ARG A 9 16.065 -5.009 -3.585 1.00 0.00 C ATOM 90 C ARG A 9 14.952 -4.742 -4.594 1.00 0.00 C ATOM 91 O ARG A 9 15.190 -4.702 -5.801 1.00 0.00 O ATOM 92 CB ARG A 9 16.513 -3.695 -2.943 1.00 0.00 C ATOM 93 CG ARG A 9 15.681 -3.291 -1.738 1.00 0.00 C ATOM 94 CD ARG A 9 16.151 -1.967 -1.154 1.00 0.00 C ATOM 95 NE ARG A 9 15.424 -1.617 0.063 1.00 0.00 N ATOM 96 CZ ARG A 9 15.637 -2.197 1.239 1.00 0.00 C ATOM 97 NH1 ARG A 9 16.551 -3.150 1.356 1.00 0.00 N ATOM 98 NH2 ARG A 9 14.935 -1.823 2.301 1.00 0.00 N ATOM 0 H ARG A 9 18.081 -5.173 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 9 15.678 -5.670 -2.810 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.556 -3.786 -2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.466 -2.902 -3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.634 -3.210 -2.028 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.741 -4.068 -0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.217 -2.025 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.020 -1.178 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 9 14.714 -0.887 0.007 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.093 -3.440 0.542 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.712 -3.594 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 9 14.231 -1.090 2.215 1.00 0.00 H new ATOM 0 HH22 ARG A 9 15.099 -2.269 3.204 1.00 0.00 H new ATOM 112 N LYS A 10 13.736 -4.560 -4.091 1.00 0.00 N ATOM 113 CA LYS A 10 12.585 -4.296 -4.946 1.00 0.00 C ATOM 114 C LYS A 10 12.932 -3.273 -6.024 1.00 0.00 C ATOM 115 O LYS A 10 13.930 -2.560 -5.920 1.00 0.00 O ATOM 116 CB LYS A 10 11.407 -3.792 -4.110 1.00 0.00 C ATOM 117 CG LYS A 10 10.852 -4.832 -3.152 1.00 0.00 C ATOM 118 CD LYS A 10 9.542 -4.375 -2.531 1.00 0.00 C ATOM 119 CE LYS A 10 9.204 -5.182 -1.287 1.00 0.00 C ATOM 120 NZ LYS A 10 8.509 -6.456 -1.624 1.00 0.00 N ATOM 0 H LYS A 10 13.522 -4.591 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 10 12.303 -5.230 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.724 -2.918 -3.541 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.611 -3.465 -4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.696 -5.771 -3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.580 -5.028 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.609 -3.318 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.738 -4.475 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.119 -5.402 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.572 -4.587 -0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.989 -6.799 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.842 -6.292 -2.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.210 -7.168 -1.911 1.00 0.00 H new ATOM 134 N THR A 11 12.100 -3.205 -7.059 1.00 0.00 N ATOM 135 CA THR A 11 12.318 -2.270 -8.155 1.00 0.00 C ATOM 136 C THR A 11 11.147 -1.305 -8.296 1.00 0.00 C ATOM 137 O THR A 11 9.992 -1.681 -8.093 1.00 0.00 O ATOM 138 CB THR A 11 12.524 -3.008 -9.491 1.00 0.00 C ATOM 139 OG1 THR A 11 12.513 -2.073 -10.575 1.00 0.00 O ATOM 140 CG2 THR A 11 11.439 -4.053 -9.705 1.00 0.00 C ATOM 0 H THR A 11 11.269 -3.787 -7.161 1.00 0.00 H new ATOM 0 HA THR A 11 13.221 -1.708 -7.916 1.00 0.00 H new ATOM 0 HB THR A 11 13.490 -3.512 -9.457 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.646 -2.551 -11.420 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.605 -4.561 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.470 -4.781 -8.894 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.463 -3.567 -9.720 1.00 0.00 H new ATOM 148 N LYS A 12 11.451 -0.060 -8.645 1.00 0.00 N ATOM 149 CA LYS A 12 10.423 0.960 -8.815 1.00 0.00 C ATOM 150 C LYS A 12 9.141 0.352 -9.375 1.00 0.00 C ATOM 151 O LYS A 12 8.045 0.646 -8.899 1.00 0.00 O ATOM 152 CB LYS A 12 10.923 2.068 -9.745 1.00 0.00 C ATOM 153 CG LYS A 12 9.859 3.093 -10.097 1.00 0.00 C ATOM 154 CD LYS A 12 10.163 3.780 -11.418 1.00 0.00 C ATOM 155 CE LYS A 12 9.828 2.885 -12.602 1.00 0.00 C ATOM 156 NZ LYS A 12 10.674 3.194 -13.788 1.00 0.00 N ATOM 0 H LYS A 12 12.402 0.267 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 12 10.205 1.387 -7.836 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.763 2.577 -9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.300 1.618 -10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.887 2.604 -10.155 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.794 3.838 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.592 4.706 -11.488 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.218 4.052 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.967 1.842 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.777 3.007 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.415 2.563 -14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.523 4.182 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.676 3.053 -13.546 1.00 0.00 H new ATOM 170 N GLU A 13 9.287 -0.496 -10.388 1.00 0.00 N ATOM 171 CA GLU A 13 8.140 -1.145 -11.012 1.00 0.00 C ATOM 172 C GLU A 13 7.347 -1.951 -9.987 1.00 0.00 C ATOM 173 O GLU A 13 6.180 -1.661 -9.723 1.00 0.00 O ATOM 174 CB GLU A 13 8.599 -2.059 -12.150 1.00 0.00 C ATOM 175 CG GLU A 13 8.737 -1.346 -13.485 1.00 0.00 C ATOM 176 CD GLU A 13 9.497 -2.166 -14.509 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.550 -2.733 -14.150 1.00 0.00 O ATOM 178 OE2 GLU A 13 9.038 -2.242 -15.668 1.00 0.00 O ATOM 0 H GLU A 13 10.188 -0.750 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 13 7.493 -0.368 -11.418 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.558 -2.503 -11.884 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.887 -2.878 -12.257 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.745 -1.115 -13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.249 -0.396 -13.334 1.00 0.00 H new ATOM 185 N GLN A 14 7.989 -2.963 -9.414 1.00 0.00 N ATOM 186 CA GLN A 14 7.344 -3.812 -8.419 1.00 0.00 C ATOM 187 C GLN A 14 6.686 -2.970 -7.330 1.00 0.00 C ATOM 188 O GLN A 14 5.510 -3.154 -7.014 1.00 0.00 O ATOM 189 CB GLN A 14 8.362 -4.769 -7.796 1.00 0.00 C ATOM 190 CG GLN A 14 8.939 -5.770 -8.783 1.00 0.00 C ATOM 191 CD GLN A 14 10.112 -6.543 -8.212 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.078 -5.957 -7.723 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.033 -7.867 -8.271 1.00 0.00 N ATOM 0 H GLN A 14 8.955 -3.215 -9.621 1.00 0.00 H new ATOM 0 HA GLN A 14 6.570 -4.393 -8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.176 -4.188 -7.362 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.886 -5.310 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.159 -6.470 -9.083 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.259 -5.244 -9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.213 -8.311 -8.685 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.792 -8.440 -7.902 1.00 0.00 H new ATOM 202 N LEU A 15 7.453 -2.048 -6.758 1.00 0.00 N ATOM 203 CA LEU A 15 6.945 -1.177 -5.704 1.00 0.00 C ATOM 204 C LEU A 15 5.699 -0.430 -6.167 1.00 0.00 C ATOM 205 O LEU A 15 4.739 -0.276 -5.414 1.00 0.00 O ATOM 206 CB LEU A 15 8.023 -0.180 -5.276 1.00 0.00 C ATOM 207 CG LEU A 15 9.039 -0.688 -4.252 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.918 0.452 -3.762 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.330 -1.357 -3.084 1.00 0.00 C ATOM 0 H LEU A 15 8.429 -1.884 -7.006 1.00 0.00 H new ATOM 0 HA LEU A 15 6.675 -1.800 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.564 0.143 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.531 0.701 -4.864 1.00 0.00 H new ATOM 0 HG LEU A 15 9.676 -1.428 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.635 0.072 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.454 0.887 -4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.296 1.216 -3.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 9.068 -1.712 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.669 -0.638 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.744 -2.200 -3.449 1.00 0.00 H new ATOM 221 N ALA A 16 5.722 0.032 -7.413 1.00 0.00 N ATOM 222 CA ALA A 16 4.593 0.760 -7.979 1.00 0.00 C ATOM 223 C ALA A 16 3.282 0.022 -7.728 1.00 0.00 C ATOM 224 O ALA A 16 2.273 0.633 -7.376 1.00 0.00 O ATOM 225 CB ALA A 16 4.800 0.979 -9.471 1.00 0.00 C ATOM 0 H ALA A 16 6.510 -0.085 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 16 4.534 1.730 -7.485 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.949 1.524 -9.880 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.711 1.556 -9.631 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.888 0.015 -9.972 1.00 0.00 H new ATOM 231 N ILE A 17 3.305 -1.294 -7.911 1.00 0.00 N ATOM 232 CA ILE A 17 2.119 -2.114 -7.703 1.00 0.00 C ATOM 233 C ILE A 17 1.718 -2.139 -6.232 1.00 0.00 C ATOM 234 O ILE A 17 0.534 -2.223 -5.901 1.00 0.00 O ATOM 235 CB ILE A 17 2.341 -3.559 -8.187 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.359 -3.611 -9.716 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.261 -4.476 -7.633 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.207 -4.733 -10.273 1.00 0.00 C ATOM 0 H ILE A 17 4.132 -1.815 -8.203 1.00 0.00 H new ATOM 0 HA ILE A 17 1.318 -1.662 -8.288 1.00 0.00 H new ATOM 0 HB ILE A 17 3.307 -3.905 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.338 -3.724 -10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.731 -2.661 -10.099 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.432 -5.494 -7.984 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.292 -4.458 -6.544 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.284 -4.134 -7.974 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.173 -4.709 -11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.237 -4.610 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.823 -5.690 -9.919 1.00 0.00 H new ATOM 250 N LEU A 18 2.711 -2.062 -5.353 1.00 0.00 N ATOM 251 CA LEU A 18 2.462 -2.073 -3.916 1.00 0.00 C ATOM 252 C LEU A 18 1.841 -0.757 -3.460 1.00 0.00 C ATOM 253 O LEU A 18 0.785 -0.742 -2.827 1.00 0.00 O ATOM 254 CB LEU A 18 3.765 -2.326 -3.155 1.00 0.00 C ATOM 255 CG LEU A 18 4.104 -3.790 -2.873 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.514 -3.914 -2.315 1.00 0.00 C ATOM 257 CD2 LEU A 18 3.093 -4.396 -1.910 1.00 0.00 C ATOM 0 H LEU A 18 3.696 -1.991 -5.610 1.00 0.00 H new ATOM 0 HA LEU A 18 1.760 -2.878 -3.700 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.585 -1.887 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.716 -1.796 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 18 4.057 -4.341 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.737 -4.963 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.228 -3.519 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.589 -3.349 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.350 -5.438 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.108 -3.842 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.096 -4.342 -2.347 1.00 0.00 H new ATOM 269 N LYS A 19 2.503 0.348 -3.788 1.00 0.00 N ATOM 270 CA LYS A 19 2.015 1.671 -3.416 1.00 0.00 C ATOM 271 C LYS A 19 0.515 1.787 -3.664 1.00 0.00 C ATOM 272 O LYS A 19 -0.212 2.379 -2.866 1.00 0.00 O ATOM 273 CB LYS A 19 2.759 2.751 -4.204 1.00 0.00 C ATOM 274 CG LYS A 19 4.229 2.865 -3.842 1.00 0.00 C ATOM 275 CD LYS A 19 4.866 4.091 -4.475 1.00 0.00 C ATOM 276 CE LYS A 19 6.358 4.157 -4.185 1.00 0.00 C ATOM 277 NZ LYS A 19 7.054 5.124 -5.077 1.00 0.00 N ATOM 0 H LYS A 19 3.379 0.353 -4.311 1.00 0.00 H new ATOM 0 HA LYS A 19 2.201 1.814 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.672 2.537 -5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.276 3.713 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.335 2.917 -2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.756 1.969 -4.171 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.704 4.071 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.381 4.991 -4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.513 4.445 -3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.796 3.167 -4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.068 5.140 -4.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.927 4.835 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.653 6.074 -4.939 1.00 0.00 H new ATOM 291 N SER A 20 0.057 1.218 -4.775 1.00 0.00 N ATOM 292 CA SER A 20 -1.357 1.261 -5.129 1.00 0.00 C ATOM 293 C SER A 20 -2.186 0.427 -4.156 1.00 0.00 C ATOM 294 O SER A 20 -3.277 0.828 -3.751 1.00 0.00 O ATOM 295 CB SER A 20 -1.562 0.752 -6.557 1.00 0.00 C ATOM 296 OG SER A 20 -2.915 0.888 -6.958 1.00 0.00 O ATOM 0 H SER A 20 0.645 0.722 -5.445 1.00 0.00 H new ATOM 0 HA SER A 20 -1.690 2.297 -5.068 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.919 1.307 -7.240 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.264 -0.295 -6.620 1.00 0.00 H new ATOM 0 HG SER A 20 -3.019 0.557 -7.875 1.00 0.00 H new ATOM 302 N PHE A 21 -1.659 -0.735 -3.786 1.00 0.00 N ATOM 303 CA PHE A 21 -2.350 -1.627 -2.861 1.00 0.00 C ATOM 304 C PHE A 21 -2.445 -1.002 -1.472 1.00 0.00 C ATOM 305 O PHE A 21 -3.525 -0.928 -0.886 1.00 0.00 O ATOM 306 CB PHE A 21 -1.624 -2.972 -2.779 1.00 0.00 C ATOM 307 CG PHE A 21 -2.514 -4.108 -2.363 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.964 -4.211 -1.057 1.00 0.00 C ATOM 309 CD2 PHE A 21 -2.900 -5.074 -3.279 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.783 -5.255 -0.671 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.720 -6.120 -2.898 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.160 -6.212 -1.593 1.00 0.00 C ATOM 0 H PHE A 21 -0.757 -1.081 -4.112 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.360 -1.789 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.187 -3.200 -3.751 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.800 -2.888 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.671 -3.466 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.557 -5.009 -4.301 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.128 -5.323 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.016 -6.865 -3.622 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.798 -7.031 -1.293 1.00 0.00 H new ATOM 322 N PHE A 22 -1.307 -0.555 -0.952 1.00 0.00 N ATOM 323 CA PHE A 22 -1.261 0.062 0.369 1.00 0.00 C ATOM 324 C PHE A 22 -2.377 1.090 0.528 1.00 0.00 C ATOM 325 O PHE A 22 -3.091 1.099 1.532 1.00 0.00 O ATOM 326 CB PHE A 22 0.098 0.727 0.597 1.00 0.00 C ATOM 327 CG PHE A 22 0.317 1.171 2.015 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.480 0.241 3.029 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.360 2.519 2.334 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.681 0.647 4.335 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.562 2.931 3.638 1.00 0.00 C ATOM 332 CZ PHE A 22 0.723 1.994 4.640 1.00 0.00 C ATOM 0 H PHE A 22 -0.405 -0.608 -1.425 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.404 -0.721 1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.887 0.029 0.317 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.187 1.590 -0.063 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.450 -0.813 2.796 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.234 3.256 1.555 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.805 -0.088 5.116 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.594 3.985 3.873 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.881 2.313 5.659 1.00 0.00 H new ATOM 342 N LEU A 23 -2.521 1.957 -0.469 1.00 0.00 N ATOM 343 CA LEU A 23 -3.549 2.991 -0.441 1.00 0.00 C ATOM 344 C LEU A 23 -4.934 2.377 -0.262 1.00 0.00 C ATOM 345 O LEU A 23 -5.673 2.746 0.650 1.00 0.00 O ATOM 346 CB LEU A 23 -3.506 3.816 -1.728 1.00 0.00 C ATOM 347 CG LEU A 23 -2.164 4.467 -2.064 1.00 0.00 C ATOM 348 CD1 LEU A 23 -1.995 4.596 -3.570 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.051 5.829 -1.394 1.00 0.00 C ATOM 0 H LEU A 23 -1.939 1.964 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.349 3.644 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.792 3.171 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.260 4.600 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.366 3.829 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.034 5.061 -3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.032 3.607 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.798 5.212 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.090 6.279 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.856 6.475 -1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.126 5.710 -0.313 1.00 0.00 H new ATOM 361 N GLN A 24 -5.277 1.439 -1.138 1.00 0.00 N ATOM 362 CA GLN A 24 -6.573 0.773 -1.076 1.00 0.00 C ATOM 363 C GLN A 24 -6.768 0.087 0.273 1.00 0.00 C ATOM 364 O GLN A 24 -7.894 -0.047 0.754 1.00 0.00 O ATOM 365 CB GLN A 24 -6.699 -0.251 -2.205 1.00 0.00 C ATOM 366 CG GLN A 24 -6.497 0.343 -3.590 1.00 0.00 C ATOM 367 CD GLN A 24 -7.165 -0.475 -4.678 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.261 -0.147 -5.133 1.00 0.00 O ATOM 369 NE2 GLN A 24 -6.505 -1.547 -5.102 1.00 0.00 N ATOM 0 H GLN A 24 -4.676 1.123 -1.899 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.348 1.530 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.968 -1.044 -2.049 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.685 -0.713 -2.157 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.894 1.358 -3.608 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.430 0.415 -3.798 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.599 -1.781 -4.697 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.904 -2.136 -5.833 1.00 0.00 H new ATOM 378 N CYS A 25 -5.667 -0.344 0.876 1.00 0.00 N ATOM 379 CA CYS A 25 -5.717 -1.017 2.169 1.00 0.00 C ATOM 380 C CYS A 25 -4.342 -1.029 2.830 1.00 0.00 C ATOM 381 O CYS A 25 -3.384 -1.572 2.281 1.00 0.00 O ATOM 382 CB CYS A 25 -6.228 -2.449 2.003 1.00 0.00 C ATOM 383 SG CYS A 25 -7.051 -3.114 3.469 1.00 0.00 S ATOM 0 H CYS A 25 -4.728 -0.240 0.491 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.404 -0.466 2.811 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.923 -2.480 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.389 -3.095 1.746 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.261 -3.956 4.066 1.00 0.00 H new ATOM 389 N GLN A 26 -4.254 -0.424 4.010 1.00 0.00 N ATOM 390 CA GLN A 26 -2.995 -0.363 4.744 1.00 0.00 C ATOM 391 C GLN A 26 -2.593 -1.744 5.251 1.00 0.00 C ATOM 392 O GLN A 26 -1.410 -2.022 5.451 1.00 0.00 O ATOM 393 CB GLN A 26 -3.112 0.610 5.919 1.00 0.00 C ATOM 394 CG GLN A 26 -3.137 2.071 5.499 1.00 0.00 C ATOM 395 CD GLN A 26 -4.487 2.499 4.956 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.371 2.906 5.711 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.652 2.410 3.642 1.00 0.00 N ATOM 0 H GLN A 26 -5.038 0.030 4.478 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.223 -0.007 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.021 0.385 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.274 0.450 6.597 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.879 2.695 6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.374 2.240 4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.892 2.067 3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.539 2.685 3.220 1.00 0.00 H new ATOM 406 N TRP A 27 -3.583 -2.605 5.456 1.00 0.00 N ATOM 407 CA TRP A 27 -3.332 -3.957 5.940 1.00 0.00 C ATOM 408 C TRP A 27 -3.885 -4.995 4.969 1.00 0.00 C ATOM 409 O TRP A 27 -5.070 -4.977 4.637 1.00 0.00 O ATOM 410 CB TRP A 27 -3.956 -4.151 7.323 1.00 0.00 C ATOM 411 CG TRP A 27 -3.496 -3.140 8.329 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.816 -1.813 8.362 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.630 -3.374 9.445 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.202 -1.208 9.433 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.470 -2.145 10.113 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.978 -4.504 9.947 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.682 -2.015 11.254 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -1.197 -4.373 11.079 1.00 0.00 C ATOM 419 CH2 TRP A 27 -1.055 -3.137 11.723 1.00 0.00 C ATOM 0 H TRP A 27 -4.567 -2.391 5.295 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.253 -4.094 6.014 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -5.041 -4.098 7.235 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.714 -5.150 7.686 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.457 -1.312 7.651 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.279 -0.222 9.681 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.083 -5.462 9.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.570 -1.063 11.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.687 -5.239 11.475 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.438 -3.068 12.607 1.00 0.00 H new ATOM 430 N ALA A 28 -3.021 -5.897 4.517 1.00 0.00 N ATOM 431 CA ALA A 28 -3.425 -6.943 3.586 1.00 0.00 C ATOM 432 C ALA A 28 -3.497 -8.299 4.281 1.00 0.00 C ATOM 433 O ALA A 28 -2.799 -8.540 5.265 1.00 0.00 O ATOM 434 CB ALA A 28 -2.463 -7.002 2.409 1.00 0.00 C ATOM 0 H ALA A 28 -2.036 -5.925 4.781 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.421 -6.700 3.216 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.777 -7.788 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.464 -6.044 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.458 -7.217 2.771 1.00 0.00 H new ATOM 440 N ARG A 29 -4.347 -9.179 3.762 1.00 0.00 N ATOM 441 CA ARG A 29 -4.512 -10.510 4.335 1.00 0.00 C ATOM 442 C ARG A 29 -3.816 -11.561 3.475 1.00 0.00 C ATOM 443 O ARG A 29 -3.398 -11.282 2.352 1.00 0.00 O ATOM 444 CB ARG A 29 -5.997 -10.849 4.471 1.00 0.00 C ATOM 445 CG ARG A 29 -6.708 -10.051 5.552 1.00 0.00 C ATOM 446 CD ARG A 29 -7.860 -10.836 6.158 1.00 0.00 C ATOM 447 NE ARG A 29 -8.794 -9.972 6.875 1.00 0.00 N ATOM 448 CZ ARG A 29 -9.619 -10.406 7.821 1.00 0.00 C ATOM 449 NH1 ARG A 29 -9.625 -11.688 8.163 1.00 0.00 N ATOM 450 NH2 ARG A 29 -10.439 -9.559 8.429 1.00 0.00 N ATOM 0 H ARG A 29 -4.932 -8.995 2.947 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.054 -10.512 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.491 -10.671 3.516 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.100 -11.912 4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.998 -9.783 6.334 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.084 -9.119 5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.391 -11.368 5.369 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.466 -11.589 6.840 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.814 -8.981 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.995 -12.343 7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.259 -12.019 8.890 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.437 -8.572 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.072 -9.894 9.155 1.00 0.00 H new ATOM 464 N ARG A 30 -3.694 -12.771 4.012 1.00 0.00 N ATOM 465 CA ARG A 30 -3.048 -13.864 3.296 1.00 0.00 C ATOM 466 C ARG A 30 -3.698 -14.080 1.932 1.00 0.00 C ATOM 467 O ARG A 30 -3.039 -14.492 0.979 1.00 0.00 O ATOM 468 CB ARG A 30 -3.118 -15.153 4.117 1.00 0.00 C ATOM 469 CG ARG A 30 -2.366 -15.077 5.435 1.00 0.00 C ATOM 470 CD ARG A 30 -2.475 -16.379 6.214 1.00 0.00 C ATOM 471 NE ARG A 30 -3.723 -16.462 6.968 1.00 0.00 N ATOM 472 CZ ARG A 30 -3.890 -15.931 8.174 1.00 0.00 C ATOM 473 NH1 ARG A 30 -2.894 -15.281 8.760 1.00 0.00 N ATOM 474 NH2 ARG A 30 -5.056 -16.049 8.796 1.00 0.00 N ATOM 0 H ARG A 30 -4.034 -13.019 4.941 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.003 -13.596 3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.163 -15.390 4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.714 -15.974 3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.317 -14.853 5.244 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.763 -14.258 6.035 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.411 -17.221 5.524 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.631 -16.464 6.899 1.00 0.00 H new ATOM 0 HE ARG A 30 -4.510 -16.955 6.545 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.996 -15.188 8.285 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -3.025 -14.874 9.686 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.825 -16.548 8.348 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.184 -15.641 9.722 1.00 0.00 H new ATOM 488 N GLU A 31 -4.995 -13.799 1.850 1.00 0.00 N ATOM 489 CA GLU A 31 -5.733 -13.964 0.603 1.00 0.00 C ATOM 490 C GLU A 31 -5.343 -12.889 -0.407 1.00 0.00 C ATOM 491 O GLU A 31 -5.522 -13.062 -1.613 1.00 0.00 O ATOM 492 CB GLU A 31 -7.240 -13.910 0.866 1.00 0.00 C ATOM 493 CG GLU A 31 -7.696 -14.831 1.985 1.00 0.00 C ATOM 494 CD GLU A 31 -9.141 -15.265 1.830 1.00 0.00 C ATOM 495 OE1 GLU A 31 -10.035 -14.398 1.924 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.377 -16.472 1.616 1.00 0.00 O ATOM 0 H GLU A 31 -5.555 -13.457 2.631 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.478 -14.938 0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.521 -12.886 1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.770 -14.174 -0.049 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.056 -15.713 2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.574 -14.323 2.942 1.00 0.00 H new ATOM 503 N ASP A 32 -4.810 -11.780 0.094 1.00 0.00 N ATOM 504 CA ASP A 32 -4.394 -10.677 -0.764 1.00 0.00 C ATOM 505 C ASP A 32 -2.921 -10.806 -1.139 1.00 0.00 C ATOM 506 O ASP A 32 -2.549 -10.641 -2.301 1.00 0.00 O ATOM 507 CB ASP A 32 -4.640 -9.339 -0.065 1.00 0.00 C ATOM 508 CG ASP A 32 -6.031 -8.796 -0.326 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.370 -8.575 -1.508 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.781 -8.593 0.651 1.00 0.00 O ATOM 0 H ASP A 32 -4.656 -11.621 1.090 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.987 -10.716 -1.677 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.497 -9.462 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -3.901 -8.614 -0.405 1.00 0.00 H new ATOM 515 N TYR A 33 -2.087 -11.101 -0.148 1.00 0.00 N ATOM 516 CA TYR A 33 -0.654 -11.249 -0.373 1.00 0.00 C ATOM 517 C TYR A 33 -0.378 -12.255 -1.486 1.00 0.00 C ATOM 518 O TYR A 33 0.505 -12.049 -2.318 1.00 0.00 O ATOM 519 CB TYR A 33 0.043 -11.692 0.915 1.00 0.00 C ATOM 520 CG TYR A 33 0.051 -10.634 1.994 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.498 -9.346 1.728 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.388 -10.922 3.281 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.508 -8.375 2.711 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.382 -9.958 4.270 1.00 0.00 C ATOM 525 CZ TYR A 33 0.066 -8.686 3.981 1.00 0.00 C ATOM 526 OH TYR A 33 0.074 -7.723 4.964 1.00 0.00 O ATOM 0 H TYR A 33 -2.379 -11.242 0.819 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.258 -10.280 -0.678 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.452 -12.585 1.297 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.071 -11.971 0.684 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.844 -9.099 0.735 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.740 -11.917 3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.860 -7.379 2.487 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.726 -10.199 5.265 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.815 -7.666 5.373 1.00 0.00 H new ATOM 536 N GLN A 34 -1.142 -13.342 -1.495 1.00 0.00 N ATOM 537 CA GLN A 34 -0.981 -14.381 -2.505 1.00 0.00 C ATOM 538 C GLN A 34 -1.102 -13.797 -3.909 1.00 0.00 C ATOM 539 O GLN A 34 -0.583 -14.360 -4.874 1.00 0.00 O ATOM 540 CB GLN A 34 -2.023 -15.482 -2.306 1.00 0.00 C ATOM 541 CG GLN A 34 -3.456 -14.997 -2.454 1.00 0.00 C ATOM 542 CD GLN A 34 -4.416 -16.114 -2.814 1.00 0.00 C ATOM 543 OE1 GLN A 34 -5.443 -16.301 -2.160 1.00 0.00 O ATOM 544 NE2 GLN A 34 -4.086 -16.865 -3.858 1.00 0.00 N ATOM 0 H GLN A 34 -1.879 -13.526 -0.814 1.00 0.00 H new ATOM 0 HA GLN A 34 0.015 -14.810 -2.394 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.841 -16.278 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.896 -15.916 -1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.777 -14.534 -1.521 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.497 -14.226 -3.223 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.225 -16.675 -4.371 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.693 -17.632 -4.147 1.00 0.00 H new ATOM 553 N LYS A 35 -1.791 -12.666 -4.017 1.00 0.00 N ATOM 554 CA LYS A 35 -1.980 -12.005 -5.303 1.00 0.00 C ATOM 555 C LYS A 35 -0.828 -11.051 -5.599 1.00 0.00 C ATOM 556 O LYS A 35 -0.321 -11.002 -6.721 1.00 0.00 O ATOM 557 CB LYS A 35 -3.306 -11.240 -5.316 1.00 0.00 C ATOM 558 CG LYS A 35 -3.561 -10.488 -6.610 1.00 0.00 C ATOM 559 CD LYS A 35 -4.391 -9.237 -6.374 1.00 0.00 C ATOM 560 CE LYS A 35 -5.880 -9.527 -6.480 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.246 -10.063 -7.821 1.00 0.00 N ATOM 0 H LYS A 35 -2.228 -12.188 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.002 -12.771 -6.078 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.122 -11.942 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.316 -10.533 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.610 -10.214 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.076 -11.140 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.168 -8.832 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.115 -8.474 -7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.166 -10.245 -5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.443 -8.613 -6.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.042 -9.516 -8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.429 -9.986 -8.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.523 -11.062 -7.732 1.00 0.00 H new ATOM 575 N LEU A 36 -0.417 -10.295 -4.587 1.00 0.00 N ATOM 576 CA LEU A 36 0.678 -9.342 -4.738 1.00 0.00 C ATOM 577 C LEU A 36 1.927 -10.030 -5.279 1.00 0.00 C ATOM 578 O LEU A 36 2.654 -9.465 -6.096 1.00 0.00 O ATOM 579 CB LEU A 36 0.989 -8.676 -3.397 1.00 0.00 C ATOM 580 CG LEU A 36 -0.044 -7.668 -2.892 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.210 -7.328 -1.432 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.022 -6.409 -3.746 1.00 0.00 C ATOM 0 H LEU A 36 -0.825 -10.323 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 36 0.368 -8.579 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.104 -9.456 -2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.951 -8.170 -3.480 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.033 -8.120 -2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.535 -6.609 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.142 -8.234 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.205 -6.896 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.763 -5.703 -3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.968 -5.955 -3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.255 -6.666 -4.779 1.00 0.00 H new ATOM 594 N GLU A 37 2.169 -11.254 -4.820 1.00 0.00 N ATOM 595 CA GLU A 37 3.330 -12.019 -5.259 1.00 0.00 C ATOM 596 C GLU A 37 3.189 -12.429 -6.722 1.00 0.00 C ATOM 597 O GLU A 37 4.126 -12.953 -7.323 1.00 0.00 O ATOM 598 CB GLU A 37 3.511 -13.261 -4.385 1.00 0.00 C ATOM 599 CG GLU A 37 4.724 -14.097 -4.757 1.00 0.00 C ATOM 600 CD GLU A 37 4.408 -15.152 -5.799 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.332 -15.778 -5.703 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.238 -15.352 -6.711 1.00 0.00 O ATOM 0 H GLU A 37 1.577 -11.737 -4.144 1.00 0.00 H new ATOM 0 HA GLU A 37 4.210 -11.384 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.599 -12.952 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.617 -13.880 -4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.510 -13.443 -5.135 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.115 -14.581 -3.862 1.00 0.00 H new ATOM 609 N GLN A 38 2.010 -12.188 -7.287 1.00 0.00 N ATOM 610 CA GLN A 38 1.746 -12.534 -8.679 1.00 0.00 C ATOM 611 C GLN A 38 1.845 -11.303 -9.574 1.00 0.00 C ATOM 612 O GLN A 38 2.114 -11.414 -10.770 1.00 0.00 O ATOM 613 CB GLN A 38 0.360 -13.167 -8.815 1.00 0.00 C ATOM 614 CG GLN A 38 0.088 -13.745 -10.194 1.00 0.00 C ATOM 615 CD GLN A 38 0.932 -14.969 -10.490 1.00 0.00 C ATOM 616 OE1 GLN A 38 0.882 -15.963 -9.764 1.00 0.00 O ATOM 617 NE2 GLN A 38 1.713 -14.905 -11.562 1.00 0.00 N ATOM 0 H GLN A 38 1.223 -11.755 -6.803 1.00 0.00 H new ATOM 0 HA GLN A 38 2.500 -13.254 -8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.256 -13.958 -8.072 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.397 -12.416 -8.589 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.967 -14.008 -10.272 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.283 -12.983 -10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.723 -14.062 -12.136 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.302 -15.699 -11.812 1.00 0.00 H new ATOM 626 N ILE A 39 1.626 -10.131 -8.987 1.00 0.00 N ATOM 627 CA ILE A 39 1.692 -8.880 -9.731 1.00 0.00 C ATOM 628 C ILE A 39 3.061 -8.224 -9.585 1.00 0.00 C ATOM 629 O ILE A 39 3.549 -7.567 -10.505 1.00 0.00 O ATOM 630 CB ILE A 39 0.609 -7.889 -9.265 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.266 -8.131 -7.793 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.635 -8.017 -10.132 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.536 -7.011 -7.168 1.00 0.00 C ATOM 0 H ILE A 39 1.401 -10.022 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 39 1.520 -9.128 -10.778 1.00 0.00 H new ATOM 0 HB ILE A 39 0.996 -6.875 -9.367 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.296 -9.061 -7.707 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.190 -8.264 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.391 -7.310 -9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.379 -7.801 -11.169 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.027 -9.031 -10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.743 -7.250 -6.125 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.032 -6.083 -7.222 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.476 -6.892 -7.706 1.00 0.00 H new ATOM 645 N THR A 40 3.679 -8.409 -8.422 1.00 0.00 N ATOM 646 CA THR A 40 4.992 -7.837 -8.155 1.00 0.00 C ATOM 647 C THR A 40 6.093 -8.872 -8.352 1.00 0.00 C ATOM 648 O THR A 40 7.267 -8.528 -8.480 1.00 0.00 O ATOM 649 CB THR A 40 5.080 -7.276 -6.723 1.00 0.00 C ATOM 650 OG1 THR A 40 4.943 -8.338 -5.772 1.00 0.00 O ATOM 651 CG2 THR A 40 4.000 -6.232 -6.483 1.00 0.00 C ATOM 0 H THR A 40 3.290 -8.951 -7.650 1.00 0.00 H new ATOM 0 HA THR A 40 5.132 -7.022 -8.865 1.00 0.00 H new ATOM 0 HB THR A 40 6.054 -6.802 -6.601 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.028 -8.688 -5.802 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.082 -5.851 -5.465 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.124 -5.411 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.019 -6.685 -6.622 1.00 0.00 H new ATOM 659 N GLY A 41 5.706 -10.144 -8.375 1.00 0.00 N ATOM 660 CA GLY A 41 6.674 -11.211 -8.557 1.00 0.00 C ATOM 661 C GLY A 41 7.626 -11.336 -7.385 1.00 0.00 C ATOM 662 O GLY A 41 8.637 -12.034 -7.469 1.00 0.00 O ATOM 0 H GLY A 41 4.740 -10.455 -8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.147 -12.155 -8.696 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.245 -11.028 -9.467 1.00 0.00 H new ATOM 666 N LEU A 42 7.306 -10.656 -6.289 1.00 0.00 N ATOM 667 CA LEU A 42 8.142 -10.693 -5.094 1.00 0.00 C ATOM 668 C LEU A 42 7.556 -11.636 -4.048 1.00 0.00 C ATOM 669 O LEU A 42 6.340 -11.742 -3.885 1.00 0.00 O ATOM 670 CB LEU A 42 8.288 -9.288 -4.507 1.00 0.00 C ATOM 671 CG LEU A 42 9.073 -8.285 -5.353 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.676 -6.861 -4.998 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.570 -8.486 -5.167 1.00 0.00 C ATOM 0 H LEU A 42 6.474 -10.073 -6.203 1.00 0.00 H new ATOM 0 HA LEU A 42 9.126 -11.065 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.291 -8.884 -4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.773 -9.371 -3.535 1.00 0.00 H new ATOM 0 HG LEU A 42 8.832 -8.456 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.245 -6.161 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.611 -6.723 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.887 -6.676 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.113 -7.764 -5.777 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.829 -8.343 -4.118 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.842 -9.496 -5.473 1.00 0.00 H new ATOM 685 N PRO A 43 8.439 -12.335 -3.320 1.00 0.00 N ATOM 686 CA PRO A 43 8.033 -13.279 -2.275 1.00 0.00 C ATOM 687 C PRO A 43 7.016 -12.675 -1.312 1.00 0.00 C ATOM 688 O PRO A 43 7.063 -11.481 -1.014 1.00 0.00 O ATOM 689 CB PRO A 43 9.343 -13.587 -1.546 1.00 0.00 C ATOM 690 CG PRO A 43 10.407 -13.335 -2.557 1.00 0.00 C ATOM 691 CD PRO A 43 9.903 -12.258 -3.461 1.00 0.00 C ATOM 0 HA PRO A 43 7.543 -14.160 -2.690 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.469 -12.949 -0.671 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.367 -14.618 -1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.335 -13.030 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.625 -14.242 -3.121 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.282 -11.279 -3.167 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.215 -12.424 -4.492 1.00 0.00 H new ATOM 699 N ARG A 44 6.100 -13.506 -0.828 1.00 0.00 N ATOM 700 CA ARG A 44 5.071 -13.053 0.101 1.00 0.00 C ATOM 701 C ARG A 44 5.697 -12.372 1.315 1.00 0.00 C ATOM 702 O ARG A 44 5.251 -11.317 1.764 1.00 0.00 O ATOM 703 CB ARG A 44 4.207 -14.232 0.553 1.00 0.00 C ATOM 704 CG ARG A 44 4.090 -15.335 -0.486 1.00 0.00 C ATOM 705 CD ARG A 44 2.931 -16.270 -0.177 1.00 0.00 C ATOM 706 NE ARG A 44 2.368 -16.863 -1.388 1.00 0.00 N ATOM 707 CZ ARG A 44 2.936 -17.867 -2.046 1.00 0.00 C ATOM 708 NH1 ARG A 44 4.076 -18.388 -1.614 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.363 -18.352 -3.140 1.00 0.00 N ATOM 0 H ARG A 44 6.049 -14.497 -1.063 1.00 0.00 H new ATOM 0 HA ARG A 44 4.442 -12.329 -0.417 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.627 -14.650 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.209 -13.868 0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.950 -14.894 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.019 -15.904 -0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.272 -17.062 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.153 -15.720 0.353 1.00 0.00 H new ATOM 0 HE ARG A 44 1.491 -16.485 -1.747 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.520 -18.018 -0.774 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.509 -19.159 -2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.486 -17.954 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.799 -19.123 -3.645 1.00 0.00 H new ATOM 723 N PRO A 45 6.756 -12.990 1.859 1.00 0.00 N ATOM 724 CA PRO A 45 7.466 -12.461 3.028 1.00 0.00 C ATOM 725 C PRO A 45 8.130 -11.118 2.744 1.00 0.00 C ATOM 726 O PRO A 45 8.393 -10.341 3.661 1.00 0.00 O ATOM 727 CB PRO A 45 8.524 -13.530 3.314 1.00 0.00 C ATOM 728 CG PRO A 45 8.037 -14.745 2.601 1.00 0.00 C ATOM 729 CD PRO A 45 7.342 -14.251 1.376 1.00 0.00 C ATOM 0 HA PRO A 45 6.792 -12.274 3.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.505 -13.224 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.624 -13.712 4.384 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.866 -15.403 2.341 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.358 -15.321 3.230 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.033 -14.092 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.582 -14.949 1.026 1.00 0.00 H new ATOM 737 N GLU A 46 8.396 -10.852 1.470 1.00 0.00 N ATOM 738 CA GLU A 46 9.030 -9.602 1.067 1.00 0.00 C ATOM 739 C GLU A 46 7.999 -8.482 0.954 1.00 0.00 C ATOM 740 O GLU A 46 8.330 -7.304 1.092 1.00 0.00 O ATOM 741 CB GLU A 46 9.755 -9.779 -0.268 1.00 0.00 C ATOM 742 CG GLU A 46 10.941 -8.845 -0.445 1.00 0.00 C ATOM 743 CD GLU A 46 12.234 -9.438 0.080 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.605 -10.543 -0.366 1.00 0.00 O ATOM 745 OE2 GLU A 46 12.875 -8.795 0.938 1.00 0.00 O ATOM 0 H GLU A 46 8.183 -11.485 0.699 1.00 0.00 H new ATOM 0 HA GLU A 46 9.756 -9.329 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.099 -10.810 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.048 -9.613 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.057 -8.608 -1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.740 -7.907 0.072 1.00 0.00 H new ATOM 752 N ILE A 47 6.750 -8.858 0.702 1.00 0.00 N ATOM 753 CA ILE A 47 5.672 -7.886 0.571 1.00 0.00 C ATOM 754 C ILE A 47 5.007 -7.619 1.917 1.00 0.00 C ATOM 755 O ILE A 47 4.686 -6.476 2.246 1.00 0.00 O ATOM 756 CB ILE A 47 4.604 -8.362 -0.431 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.266 -8.855 -1.720 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.621 -7.240 -0.730 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.293 -9.466 -2.704 1.00 0.00 C ATOM 0 H ILE A 47 6.460 -9.829 0.584 1.00 0.00 H new ATOM 0 HA ILE A 47 6.121 -6.964 0.201 1.00 0.00 H new ATOM 0 HB ILE A 47 4.054 -9.192 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.778 -8.020 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.027 -9.593 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.872 -7.592 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.130 -6.931 0.193 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.156 -6.392 -1.157 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.832 -9.793 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.799 -10.322 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.546 -8.724 -2.985 1.00 0.00 H new ATOM 771 N ILE A 48 4.804 -8.679 2.691 1.00 0.00 N ATOM 772 CA ILE A 48 4.179 -8.558 4.003 1.00 0.00 C ATOM 773 C ILE A 48 4.940 -7.575 4.886 1.00 0.00 C ATOM 774 O ILE A 48 4.346 -6.689 5.499 1.00 0.00 O ATOM 775 CB ILE A 48 4.103 -9.920 4.718 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.198 -10.879 3.941 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.598 -9.743 6.142 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.558 -12.336 4.129 1.00 0.00 C ATOM 0 H ILE A 48 5.063 -9.631 2.433 1.00 0.00 H new ATOM 0 HA ILE A 48 3.168 -8.187 3.838 1.00 0.00 H new ATOM 0 HB ILE A 48 5.104 -10.349 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.165 -10.725 4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.249 -10.635 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.550 -10.714 6.634 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.278 -9.091 6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.604 -9.296 6.123 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.875 -12.957 3.549 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.580 -12.505 3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.479 -12.597 5.184 1.00 0.00 H new ATOM 790 N GLN A 49 6.258 -7.738 4.943 1.00 0.00 N ATOM 791 CA GLN A 49 7.101 -6.863 5.750 1.00 0.00 C ATOM 792 C GLN A 49 7.077 -5.436 5.213 1.00 0.00 C ATOM 793 O GLN A 49 7.149 -4.474 5.977 1.00 0.00 O ATOM 794 CB GLN A 49 8.538 -7.387 5.776 1.00 0.00 C ATOM 795 CG GLN A 49 9.329 -6.933 6.993 1.00 0.00 C ATOM 796 CD GLN A 49 10.715 -7.543 7.048 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.644 -7.062 6.399 1.00 0.00 O ATOM 798 NE2 GLN A 49 10.863 -8.608 7.827 1.00 0.00 N ATOM 0 H GLN A 49 6.765 -8.467 4.441 1.00 0.00 H new ATOM 0 HA GLN A 49 6.706 -6.855 6.766 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.519 -8.477 5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.053 -7.056 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.415 -5.846 6.981 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.782 -7.200 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.066 -8.974 8.348 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.774 -9.060 7.905 1.00 0.00 H new ATOM 807 N TRP A 50 6.975 -5.308 3.895 1.00 0.00 N ATOM 808 CA TRP A 50 6.941 -3.997 3.255 1.00 0.00 C ATOM 809 C TRP A 50 5.764 -3.173 3.764 1.00 0.00 C ATOM 810 O TRP A 50 5.925 -2.013 4.145 1.00 0.00 O ATOM 811 CB TRP A 50 6.853 -4.151 1.736 1.00 0.00 C ATOM 812 CG TRP A 50 6.819 -2.841 1.008 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.884 -2.173 0.473 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.663 -2.041 0.737 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.459 -1.006 -0.115 1.00 0.00 N ATOM 816 CE2 TRP A 50 6.101 -0.902 0.033 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.301 -2.177 1.018 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.224 0.093 -0.391 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.433 -1.188 0.597 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.896 -0.066 -0.102 1.00 0.00 C ATOM 0 H TRP A 50 6.914 -6.095 3.249 1.00 0.00 H new ATOM 0 HA TRP A 50 7.863 -3.473 3.507 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.707 -4.731 1.387 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.958 -4.721 1.487 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.909 -2.512 0.507 1.00 0.00 H new ATOM 0 HE1 TRP A 50 8.058 -0.327 -0.585 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.934 -3.039 1.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.579 0.959 -0.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.379 -1.282 0.811 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.191 0.688 -0.419 1.00 0.00 H new ATOM 831 N PHE A 51 4.581 -3.778 3.769 1.00 0.00 N ATOM 832 CA PHE A 51 3.376 -3.099 4.231 1.00 0.00 C ATOM 833 C PHE A 51 3.578 -2.525 5.630 1.00 0.00 C ATOM 834 O PHE A 51 3.131 -1.419 5.930 1.00 0.00 O ATOM 835 CB PHE A 51 2.189 -4.064 4.230 1.00 0.00 C ATOM 836 CG PHE A 51 1.431 -4.080 2.933 1.00 0.00 C ATOM 837 CD1 PHE A 51 1.861 -4.861 1.873 1.00 0.00 C ATOM 838 CD2 PHE A 51 0.287 -3.313 2.775 1.00 0.00 C ATOM 839 CE1 PHE A 51 1.166 -4.878 0.679 1.00 0.00 C ATOM 840 CE2 PHE A 51 -0.413 -3.327 1.583 1.00 0.00 C ATOM 841 CZ PHE A 51 0.028 -4.109 0.534 1.00 0.00 C ATOM 0 H PHE A 51 4.431 -4.738 3.458 1.00 0.00 H new ATOM 0 HA PHE A 51 3.167 -2.277 3.547 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.549 -5.070 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.508 -3.791 5.036 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.750 -5.464 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.061 -2.698 3.592 1.00 0.00 H new ATOM 0 HE1 PHE A 51 1.512 -5.492 -0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.304 -2.727 1.472 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.516 -4.119 -0.399 1.00 0.00 H new ATOM 851 N GLY A 52 4.256 -3.286 6.484 1.00 0.00 N ATOM 852 CA GLY A 52 4.505 -2.838 7.841 1.00 0.00 C ATOM 853 C GLY A 52 5.373 -1.596 7.892 1.00 0.00 C ATOM 854 O GLY A 52 4.981 -0.580 8.465 1.00 0.00 O ATOM 0 H GLY A 52 4.637 -4.205 6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.554 -2.633 8.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.988 -3.638 8.402 1.00 0.00 H new ATOM 858 N ASP A 53 6.555 -1.678 7.292 1.00 0.00 N ATOM 859 CA ASP A 53 7.481 -0.551 7.271 1.00 0.00 C ATOM 860 C ASP A 53 6.843 0.665 6.609 1.00 0.00 C ATOM 861 O ASP A 53 7.114 1.806 6.987 1.00 0.00 O ATOM 862 CB ASP A 53 8.766 -0.933 6.533 1.00 0.00 C ATOM 863 CG ASP A 53 9.796 -1.561 7.451 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.409 -2.399 8.293 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.989 -1.216 7.328 1.00 0.00 O ATOM 0 H ASP A 53 6.895 -2.512 6.814 1.00 0.00 H new ATOM 0 HA ASP A 53 7.725 -0.294 8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.527 -1.630 5.730 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.192 -0.044 6.068 1.00 0.00 H new ATOM 870 N THR A 54 5.993 0.415 5.617 1.00 0.00 N ATOM 871 CA THR A 54 5.317 1.490 4.901 1.00 0.00 C ATOM 872 C THR A 54 4.531 2.379 5.858 1.00 0.00 C ATOM 873 O THR A 54 4.675 3.602 5.842 1.00 0.00 O ATOM 874 CB THR A 54 4.359 0.935 3.830 1.00 0.00 C ATOM 875 OG1 THR A 54 5.065 0.051 2.952 1.00 0.00 O ATOM 876 CG2 THR A 54 3.733 2.065 3.026 1.00 0.00 C ATOM 0 H THR A 54 5.757 -0.522 5.292 1.00 0.00 H new ATOM 0 HA THR A 54 6.092 2.082 4.414 1.00 0.00 H new ATOM 0 HB THR A 54 3.564 0.386 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.460 -0.262 2.248 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.060 1.649 2.276 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.172 2.719 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.518 2.638 2.532 1.00 0.00 H new ATOM 884 N ARG A 55 3.701 1.758 6.689 1.00 0.00 N ATOM 885 CA ARG A 55 2.892 2.495 7.653 1.00 0.00 C ATOM 886 C ARG A 55 3.743 3.507 8.415 1.00 0.00 C ATOM 887 O ARG A 55 3.419 4.694 8.463 1.00 0.00 O ATOM 888 CB ARG A 55 2.226 1.530 8.635 1.00 0.00 C ATOM 889 CG ARG A 55 1.044 0.779 8.043 1.00 0.00 C ATOM 890 CD ARG A 55 0.339 -0.065 9.093 1.00 0.00 C ATOM 891 NE ARG A 55 -0.123 0.739 10.222 1.00 0.00 N ATOM 892 CZ ARG A 55 0.640 1.051 11.263 1.00 0.00 C ATOM 893 NH1 ARG A 55 1.896 0.629 11.319 1.00 0.00 N ATOM 894 NH2 ARG A 55 0.147 1.787 12.251 1.00 0.00 N ATOM 0 H ARG A 55 3.571 0.747 6.715 1.00 0.00 H new ATOM 0 HA ARG A 55 2.120 3.035 7.105 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.967 0.809 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.890 2.088 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.339 1.490 7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.388 0.139 7.231 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.511 -0.574 8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.018 -0.838 9.452 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.084 1.079 10.210 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.278 0.063 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.480 0.870 12.120 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.819 2.113 12.211 1.00 0.00 H new ATOM 0 HH22 ARG A 55 0.734 2.026 13.050 1.00 0.00 H new ATOM 908 N TYR A 56 4.830 3.029 9.011 1.00 0.00 N ATOM 909 CA TYR A 56 5.725 3.891 9.774 1.00 0.00 C ATOM 910 C TYR A 56 5.984 5.199 9.033 1.00 0.00 C ATOM 911 O TYR A 56 5.768 6.284 9.571 1.00 0.00 O ATOM 912 CB TYR A 56 7.048 3.174 10.045 1.00 0.00 C ATOM 913 CG TYR A 56 8.224 4.112 10.198 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.249 5.069 11.205 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.312 4.040 9.336 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.321 5.928 11.348 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.389 4.894 9.473 1.00 0.00 C ATOM 918 CZ TYR A 56 10.389 5.837 10.479 1.00 0.00 C ATOM 919 OH TYR A 56 11.459 6.690 10.619 1.00 0.00 O ATOM 0 H TYR A 56 5.112 2.049 8.980 1.00 0.00 H new ATOM 0 HA TYR A 56 5.244 4.122 10.724 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.949 2.577 10.952 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.250 2.481 9.228 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.416 5.142 11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.315 3.304 8.546 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.323 6.667 12.136 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.227 4.823 8.795 1.00 0.00 H new ATOM 0 HH TYR A 56 12.126 6.494 9.929 1.00 0.00 H new ATOM 929 N ALA A 57 6.449 5.086 7.793 1.00 0.00 N ATOM 930 CA ALA A 57 6.736 6.259 6.975 1.00 0.00 C ATOM 931 C ALA A 57 5.525 7.181 6.894 1.00 0.00 C ATOM 932 O ALA A 57 5.629 8.383 7.147 1.00 0.00 O ATOM 933 CB ALA A 57 7.174 5.835 5.581 1.00 0.00 C ATOM 0 H ALA A 57 6.635 4.195 7.333 1.00 0.00 H new ATOM 0 HA ALA A 57 7.549 6.811 7.447 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.385 6.720 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.073 5.222 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.378 5.258 5.109 1.00 0.00 H new ATOM 939 N LEU A 58 4.377 6.614 6.540 1.00 0.00 N ATOM 940 CA LEU A 58 3.145 7.386 6.425 1.00 0.00 C ATOM 941 C LEU A 58 2.833 8.110 7.731 1.00 0.00 C ATOM 942 O LEU A 58 2.754 9.338 7.769 1.00 0.00 O ATOM 943 CB LEU A 58 1.980 6.471 6.044 1.00 0.00 C ATOM 944 CG LEU A 58 0.579 7.018 6.320 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.143 7.956 5.206 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.416 5.878 6.482 1.00 0.00 C ATOM 0 H LEU A 58 4.274 5.622 6.328 1.00 0.00 H new ATOM 0 HA LEU A 58 3.284 8.131 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.056 6.243 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.093 5.529 6.581 1.00 0.00 H new ATOM 0 HG LEU A 58 0.607 7.583 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.856 8.335 5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.841 8.790 5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.131 7.416 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.408 6.286 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.442 5.285 5.568 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.112 5.246 7.316 1.00 0.00 H new ATOM 958 N LYS A 59 2.656 7.341 8.800 1.00 0.00 N ATOM 959 CA LYS A 59 2.356 7.908 10.109 1.00 0.00 C ATOM 960 C LYS A 59 3.211 9.141 10.378 1.00 0.00 C ATOM 961 O LYS A 59 2.720 10.153 10.878 1.00 0.00 O ATOM 962 CB LYS A 59 2.588 6.865 11.205 1.00 0.00 C ATOM 963 CG LYS A 59 2.442 7.417 12.612 1.00 0.00 C ATOM 964 CD LYS A 59 3.764 7.947 13.143 1.00 0.00 C ATOM 965 CE LYS A 59 4.556 6.860 13.851 1.00 0.00 C ATOM 966 NZ LYS A 59 3.929 6.469 15.144 1.00 0.00 N ATOM 0 H LYS A 59 2.715 6.323 8.785 1.00 0.00 H new ATOM 0 HA LYS A 59 1.308 8.207 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.882 6.046 11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.588 6.446 11.090 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.701 8.216 12.615 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.070 6.635 13.274 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.353 8.350 12.319 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.577 8.770 13.833 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.630 5.986 13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.572 7.210 14.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.636 5.999 15.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.573 7.318 15.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.140 5.816 14.964 1.00 0.00 H new ATOM 980 N HIS A 60 4.494 9.051 10.041 1.00 0.00 N ATOM 981 CA HIS A 60 5.418 10.162 10.244 1.00 0.00 C ATOM 982 C HIS A 60 5.239 11.222 9.162 1.00 0.00 C ATOM 983 O HIS A 60 5.508 12.402 9.384 1.00 0.00 O ATOM 984 CB HIS A 60 6.862 9.658 10.247 1.00 0.00 C ATOM 985 CG HIS A 60 7.282 9.053 11.551 1.00 0.00 C ATOM 986 ND1 HIS A 60 8.009 9.740 12.500 1.00 0.00 N ATOM 987 CD2 HIS A 60 7.072 7.817 12.063 1.00 0.00 C ATOM 988 CE1 HIS A 60 8.229 8.953 13.538 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.671 7.781 13.298 1.00 0.00 N ATOM 0 H HIS A 60 4.917 8.221 9.626 1.00 0.00 H new ATOM 0 HA HIS A 60 5.197 10.614 11.211 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.981 8.917 9.457 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.528 10.487 10.009 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.534 7.010 11.588 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.773 9.223 14.431 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.683 6.979 13.928 1.00 0.00 H new ATOM 998 N GLY A 61 4.785 10.792 7.988 1.00 0.00 N ATOM 999 CA GLY A 61 4.579 11.717 6.889 1.00 0.00 C ATOM 1000 C GLY A 61 5.719 11.694 5.891 1.00 0.00 C ATOM 1001 O GLY A 61 6.187 12.743 5.449 1.00 0.00 O ATOM 0 H GLY A 61 4.556 9.820 7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.648 11.469 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.466 12.727 7.284 1.00 0.00 H new ATOM 1005 N GLN A 62 6.168 10.494 5.536 1.00 0.00 N ATOM 1006 CA GLN A 62 7.263 10.340 4.585 1.00 0.00 C ATOM 1007 C GLN A 62 6.732 10.035 3.188 1.00 0.00 C ATOM 1008 O GLN A 62 7.154 10.646 2.205 1.00 0.00 O ATOM 1009 CB GLN A 62 8.207 9.225 5.039 1.00 0.00 C ATOM 1010 CG GLN A 62 9.313 9.704 5.965 1.00 0.00 C ATOM 1011 CD GLN A 62 10.555 8.839 5.887 1.00 0.00 C ATOM 1012 OE1 GLN A 62 11.323 8.919 4.928 1.00 0.00 O ATOM 1013 NE2 GLN A 62 10.760 8.004 6.900 1.00 0.00 N ATOM 0 H GLN A 62 5.791 9.616 5.892 1.00 0.00 H new ATOM 0 HA GLN A 62 7.813 11.280 4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.628 8.454 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.655 8.760 4.161 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.574 10.732 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 62 8.945 9.712 6.991 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.098 7.970 7.675 1.00 0.00 H new ATOM 0 HE22 GLN A 62 11.580 7.397 6.903 1.00 0.00 H new ATOM 1022 N LEU A 63 5.804 9.088 3.107 1.00 0.00 N ATOM 1023 CA LEU A 63 5.215 8.701 1.830 1.00 0.00 C ATOM 1024 C LEU A 63 4.692 9.922 1.079 1.00 0.00 C ATOM 1025 O LEU A 63 3.737 10.568 1.511 1.00 0.00 O ATOM 1026 CB LEU A 63 4.080 7.700 2.051 1.00 0.00 C ATOM 1027 CG LEU A 63 4.476 6.223 2.046 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.611 5.972 3.027 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.277 5.348 2.379 1.00 0.00 C ATOM 0 H LEU A 63 5.443 8.574 3.911 1.00 0.00 H new ATOM 0 HA LEU A 63 5.993 8.232 1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.605 7.925 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.329 7.857 1.277 1.00 0.00 H new ATOM 0 HG LEU A 63 4.823 5.963 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.880 4.916 3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.476 6.571 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.292 6.249 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.578 4.300 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.899 5.609 3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.494 5.506 1.638 1.00 0.00 H new ATOM 1041 N LYS A 64 5.324 10.233 -0.047 1.00 0.00 N ATOM 1042 CA LYS A 64 4.922 11.374 -0.861 1.00 0.00 C ATOM 1043 C LYS A 64 3.711 11.029 -1.722 1.00 0.00 C ATOM 1044 O LYS A 64 2.940 11.908 -2.107 1.00 0.00 O ATOM 1045 CB LYS A 64 6.082 11.826 -1.751 1.00 0.00 C ATOM 1046 CG LYS A 64 5.743 13.013 -2.636 1.00 0.00 C ATOM 1047 CD LYS A 64 5.189 12.568 -3.979 1.00 0.00 C ATOM 1048 CE LYS A 64 4.609 13.738 -4.758 1.00 0.00 C ATOM 1049 NZ LYS A 64 3.239 14.090 -4.292 1.00 0.00 N ATOM 0 H LYS A 64 6.118 9.710 -0.417 1.00 0.00 H new ATOM 0 HA LYS A 64 4.648 12.188 -0.190 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.933 12.085 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.393 10.992 -2.380 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.013 13.647 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.636 13.618 -2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.981 12.098 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.417 11.814 -3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.262 14.604 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.579 13.489 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.571 14.008 -5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 2.954 13.442 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.234 15.067 -3.935 1.00 0.00 H new ATOM 1063 N TRP A 65 3.549 9.744 -2.019 1.00 0.00 N ATOM 1064 CA TRP A 65 2.430 9.283 -2.833 1.00 0.00 C ATOM 1065 C TRP A 65 1.170 9.128 -1.989 1.00 0.00 C ATOM 1066 O TRP A 65 0.054 9.176 -2.507 1.00 0.00 O ATOM 1067 CB TRP A 65 2.776 7.954 -3.505 1.00 0.00 C ATOM 1068 CG TRP A 65 3.488 6.997 -2.598 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.830 6.950 -2.346 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.896 5.948 -1.823 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.108 5.936 -1.462 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.938 5.307 -1.125 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.588 5.490 -1.649 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.710 4.232 -0.270 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.363 4.423 -0.801 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.419 3.804 -0.119 1.00 0.00 C ATOM 0 H TRP A 65 4.178 9.004 -1.708 1.00 0.00 H new ATOM 0 HA TRP A 65 2.239 10.032 -3.602 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.859 7.488 -3.865 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.399 8.148 -4.378 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.565 7.613 -2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 65 6.035 5.691 -1.113 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.767 5.962 -2.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.523 3.753 0.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.356 4.060 -0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.210 2.973 0.539 1.00 0.00 H new ATOM 1087 N PHE A 66 1.355 8.943 -0.686 1.00 0.00 N ATOM 1088 CA PHE A 66 0.232 8.780 0.230 1.00 0.00 C ATOM 1089 C PHE A 66 -0.242 10.132 0.755 1.00 0.00 C ATOM 1090 O PHE A 66 0.564 10.971 1.156 1.00 0.00 O ATOM 1091 CB PHE A 66 0.627 7.876 1.400 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.538 7.172 2.034 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.482 7.882 2.758 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.689 5.801 1.906 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.556 7.238 3.343 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.761 5.151 2.489 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.695 5.870 3.209 1.00 0.00 C ATOM 0 H PHE A 66 2.272 8.902 -0.241 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.587 8.315 -0.319 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.343 7.133 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.134 8.475 2.156 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.377 8.951 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.039 5.234 1.345 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.285 7.803 3.904 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.868 4.082 2.381 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.532 5.364 3.666 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.556 10.335 0.748 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.138 11.585 1.221 1.00 0.00 C ATOM 1109 C ARG A 67 -1.328 12.157 2.381 1.00 0.00 C ATOM 1110 O ARG A 67 -1.070 11.470 3.370 1.00 0.00 O ATOM 1111 CB ARG A 67 -3.587 11.364 1.657 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.369 10.446 0.732 1.00 0.00 C ATOM 1113 CD ARG A 67 -4.278 8.995 1.179 1.00 0.00 C ATOM 1114 NE ARG A 67 -5.355 8.637 2.098 1.00 0.00 N ATOM 1115 CZ ARG A 67 -5.732 7.386 2.336 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -5.123 6.379 1.726 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -6.721 7.140 3.186 1.00 0.00 N ATOM 0 H ARG A 67 -2.237 9.650 0.420 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.118 12.300 0.399 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.595 10.944 2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.092 12.328 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.414 10.756 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.986 10.539 -0.284 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.315 8.344 0.306 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.316 8.824 1.663 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.844 9.389 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.363 6.564 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -5.415 5.419 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.192 7.912 3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.010 6.179 3.368 1.00 0.00 H new ATOM 1131 N ASP A 68 -0.930 13.418 2.253 1.00 0.00 N ATOM 1132 CA ASP A 68 -0.150 14.083 3.290 1.00 0.00 C ATOM 1133 C ASP A 68 -0.946 14.184 4.588 1.00 0.00 C ATOM 1134 O ASP A 68 -2.120 14.554 4.580 1.00 0.00 O ATOM 1135 CB ASP A 68 0.272 15.477 2.826 1.00 0.00 C ATOM 1136 CG ASP A 68 1.419 16.038 3.644 1.00 0.00 C ATOM 1137 OD1 ASP A 68 2.559 15.559 3.473 1.00 0.00 O ATOM 1138 OD2 ASP A 68 1.175 16.955 4.456 1.00 0.00 O ATOM 0 H ASP A 68 -1.135 14.000 1.441 1.00 0.00 H new ATOM 0 HA ASP A 68 0.742 13.486 3.478 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.565 15.434 1.777 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.581 16.152 2.891 1.00 0.00 H new ATOM 1143 N ASN A 69 -0.300 13.853 5.700 1.00 0.00 N ATOM 1144 CA ASN A 69 -0.948 13.905 7.006 1.00 0.00 C ATOM 1145 C ASN A 69 -1.884 15.106 7.100 1.00 0.00 C ATOM 1146 O ASN A 69 -1.503 16.230 6.775 1.00 0.00 O ATOM 1147 CB ASN A 69 0.101 13.974 8.117 1.00 0.00 C ATOM 1148 CG ASN A 69 0.615 12.603 8.512 1.00 0.00 C ATOM 1149 OD1 ASN A 69 1.766 12.258 8.242 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -0.237 11.814 9.156 1.00 0.00 N ATOM 0 H ASN A 69 0.672 13.546 5.724 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.537 12.996 7.128 1.00 0.00 H new ATOM 0 HB2 ASN A 69 0.937 14.591 7.786 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.330 14.463 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.053 10.881 9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.182 12.141 9.359 1.00 0.00 H new ATOM 1157 N ALA A 70 -3.111 14.859 7.548 1.00 0.00 N ATOM 1158 CA ALA A 70 -4.101 15.920 7.687 1.00 0.00 C ATOM 1159 C ALA A 70 -3.937 16.653 9.015 1.00 0.00 C ATOM 1160 O ALA A 70 -3.659 17.852 9.042 1.00 0.00 O ATOM 1161 CB ALA A 70 -5.506 15.349 7.568 1.00 0.00 C ATOM 0 H ALA A 70 -3.443 13.934 7.821 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.943 16.639 6.883 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.235 16.152 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.625 14.876 6.593 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.665 14.609 8.352 1.00 0.00 H new ATOM 1167 N SER A 71 -4.111 15.925 10.113 1.00 0.00 N ATOM 1168 CA SER A 71 -3.986 16.507 11.444 1.00 0.00 C ATOM 1169 C SER A 71 -2.909 17.588 11.465 1.00 0.00 C ATOM 1170 O SER A 71 -1.718 17.291 11.541 1.00 0.00 O ATOM 1171 CB SER A 71 -3.655 15.422 12.470 1.00 0.00 C ATOM 1172 OG SER A 71 -4.704 14.473 12.565 1.00 0.00 O ATOM 0 H SER A 71 -4.339 14.931 10.107 1.00 0.00 H new ATOM 0 HA SER A 71 -4.941 16.964 11.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.730 14.919 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.484 15.879 13.445 1.00 0.00 H new ATOM 0 HG SER A 71 -4.468 13.789 13.226 1.00 0.00 H new ATOM 1178 N GLY A 72 -3.339 18.844 11.398 1.00 0.00 N ATOM 1179 CA GLY A 72 -2.401 19.951 11.411 1.00 0.00 C ATOM 1180 C GLY A 72 -2.541 20.844 10.194 1.00 0.00 C ATOM 1181 O GLY A 72 -1.812 20.710 9.211 1.00 0.00 O ATOM 0 H GLY A 72 -4.320 19.115 11.335 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.556 20.544 12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.384 19.561 11.457 1.00 0.00 H new ATOM 1185 N PRO A 73 -3.499 21.781 10.251 1.00 0.00 N ATOM 1186 CA PRO A 73 -3.756 22.718 9.153 1.00 0.00 C ATOM 1187 C PRO A 73 -2.634 23.736 8.984 1.00 0.00 C ATOM 1188 O PRO A 73 -2.700 24.610 8.120 1.00 0.00 O ATOM 1189 CB PRO A 73 -5.052 23.415 9.577 1.00 0.00 C ATOM 1190 CG PRO A 73 -5.071 23.306 11.062 1.00 0.00 C ATOM 1191 CD PRO A 73 -4.405 21.999 11.391 1.00 0.00 C ATOM 0 HA PRO A 73 -3.824 22.209 8.191 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.065 24.457 9.256 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.924 22.934 9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.541 24.140 11.521 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.092 23.330 11.442 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.860 22.052 12.333 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.131 21.191 11.488 1.00 0.00 H new ATOM 1199 N SER A 74 -1.604 23.617 9.816 1.00 0.00 N ATOM 1200 CA SER A 74 -0.468 24.530 9.761 1.00 0.00 C ATOM 1201 C SER A 74 0.839 23.787 10.018 1.00 0.00 C ATOM 1202 O SER A 74 0.838 22.597 10.332 1.00 0.00 O ATOM 1203 CB SER A 74 -0.639 25.653 10.786 1.00 0.00 C ATOM 1204 OG SER A 74 -1.829 26.385 10.546 1.00 0.00 O ATOM 0 H SER A 74 -1.533 22.898 10.536 1.00 0.00 H new ATOM 0 HA SER A 74 -0.429 24.963 8.761 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.664 25.232 11.791 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.219 26.323 10.742 1.00 0.00 H new ATOM 0 HG SER A 74 -1.916 27.096 11.215 1.00 0.00 H new ATOM 1210 N SER A 75 1.954 24.498 9.882 1.00 0.00 N ATOM 1211 CA SER A 75 3.269 23.906 10.095 1.00 0.00 C ATOM 1212 C SER A 75 3.232 22.898 11.240 1.00 0.00 C ATOM 1213 O SER A 75 2.418 23.010 12.155 1.00 0.00 O ATOM 1214 CB SER A 75 4.300 24.996 10.394 1.00 0.00 C ATOM 1215 OG SER A 75 4.833 25.536 9.197 1.00 0.00 O ATOM 0 H SER A 75 1.973 25.485 9.625 1.00 0.00 H new ATOM 0 HA SER A 75 3.557 23.384 9.183 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.836 25.790 10.979 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.106 24.582 11.000 1.00 0.00 H new ATOM 0 HG SER A 75 5.488 26.232 9.415 1.00 0.00 H new ATOM 1221 N GLY A 76 4.122 21.911 11.180 1.00 0.00 N ATOM 1222 CA GLY A 76 4.174 20.896 12.216 1.00 0.00 C ATOM 1223 C GLY A 76 4.793 19.602 11.728 1.00 0.00 C ATOM 1224 O GLY A 76 5.118 18.722 12.526 1.00 0.00 O ATOM 0 H GLY A 76 4.807 21.797 10.433 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.748 21.274 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.165 20.699 12.578 1.00 0.00 H new TER 1228 GLY A 76