USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=19 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 18:sc= 0.509 USER MOD Single : A 3 SER OG : rot 24:sc= 0.49! USER MOD Single : A 5 SER OG : rot 23:sc= 0.358! USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0523) USER MOD Single : A 10 LYS NZ :NH3+ 179:sc= -2.62 (180deg=-2.64) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0739 USER MOD Single : A 12 LYS NZ :NH3+ -142:sc= -0.433 (180deg=-2.01!) USER MOD Single : A 14 GLN : amide:sc= -2.58! C(o=-2.6!,f=-9.4!) 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 -115:sc= 1.31 USER MOD Single : A 26 GLN : amide:sc= 0.454 K(o=0.45,f=-0.28) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc=-0.00102 K(o=-0.001,f=-0.79) USER MOD Single : A 35 LYS NZ :NH3+ 148:sc= -1.02 (180deg=-3.13!) USER MOD Single : A 38 GLN : amide:sc= -0.0164 K(o=-0.016,f=-1.5!) USER MOD Single : A 40 THR OG1 : rot -71:sc= 1.46 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 54 THR OG1 : rot -174:sc= 1.39 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0652) USER MOD Single : A 60 HIS : no HD1:sc= -5.2 K(o=-5.2,f=-4.5!) USER MOD Single : A 62 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.59) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.2!) 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 27.505 -12.070 -10.755 1.00 0.00 N ATOM 2 CA GLY A 1 26.338 -11.337 -11.209 1.00 0.00 C ATOM 3 C GLY A 1 25.224 -11.325 -10.181 1.00 0.00 C ATOM 4 O GLY A 1 24.170 -11.926 -10.391 1.00 0.00 O ATOM 0 H1 GLY A 1 28.237 -12.049 -11.493 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.875 -11.631 -9.888 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.241 -13.056 -10.558 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.625 -10.311 -11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.970 -11.782 -12.133 1.00 0.00 H new ATOM 8 N SER A 2 25.457 -10.642 -9.065 1.00 0.00 N ATOM 9 CA SER A 2 24.467 -10.559 -7.998 1.00 0.00 C ATOM 10 C SER A 2 23.803 -11.914 -7.767 1.00 0.00 C ATOM 11 O SER A 2 22.588 -11.999 -7.589 1.00 0.00 O ATOM 12 CB SER A 2 23.407 -9.510 -8.336 1.00 0.00 C ATOM 13 OG SER A 2 22.752 -9.821 -9.554 1.00 0.00 O ATOM 0 H SER A 2 26.323 -10.138 -8.876 1.00 0.00 H new ATOM 0 HA SER A 2 24.980 -10.264 -7.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.675 -9.455 -7.530 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.874 -8.528 -8.411 1.00 0.00 H new ATOM 0 HG SER A 2 22.904 -10.763 -9.776 1.00 0.00 H new ATOM 19 N SER A 3 24.610 -12.970 -7.772 1.00 0.00 N ATOM 20 CA SER A 3 24.102 -14.321 -7.567 1.00 0.00 C ATOM 21 C SER A 3 23.880 -14.600 -6.084 1.00 0.00 C ATOM 22 O SER A 3 24.798 -14.478 -5.274 1.00 0.00 O ATOM 23 CB SER A 3 25.074 -15.348 -8.151 1.00 0.00 C ATOM 24 OG SER A 3 26.258 -15.428 -7.377 1.00 0.00 O ATOM 0 H SER A 3 25.618 -12.916 -7.916 1.00 0.00 H new ATOM 0 HA SER A 3 23.144 -14.404 -8.081 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.594 -16.326 -8.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.324 -15.075 -9.176 1.00 0.00 H new ATOM 0 HG SER A 3 26.073 -15.126 -6.463 1.00 0.00 H new ATOM 30 N GLY A 4 22.653 -14.975 -5.735 1.00 0.00 N ATOM 31 CA GLY A 4 22.332 -15.264 -4.350 1.00 0.00 C ATOM 32 C GLY A 4 22.275 -14.015 -3.494 1.00 0.00 C ATOM 33 O GLY A 4 23.308 -13.500 -3.065 1.00 0.00 O ATOM 0 H GLY A 4 21.876 -15.084 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.371 -15.777 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.078 -15.946 -3.942 1.00 0.00 H new ATOM 37 N SER A 5 21.066 -13.523 -3.245 1.00 0.00 N ATOM 38 CA SER A 5 20.879 -12.322 -2.440 1.00 0.00 C ATOM 39 C SER A 5 19.778 -12.529 -1.403 1.00 0.00 C ATOM 40 O SER A 5 18.670 -12.949 -1.734 1.00 0.00 O ATOM 41 CB SER A 5 20.534 -11.131 -3.335 1.00 0.00 C ATOM 42 OG SER A 5 19.189 -11.196 -3.776 1.00 0.00 O ATOM 0 H SER A 5 20.200 -13.938 -3.590 1.00 0.00 H new ATOM 0 HA SER A 5 21.813 -12.116 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.696 -10.202 -2.788 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.202 -11.114 -4.196 1.00 0.00 H new ATOM 0 HG SER A 5 18.669 -11.754 -3.160 1.00 0.00 H new ATOM 48 N SER A 6 20.094 -12.231 -0.147 1.00 0.00 N ATOM 49 CA SER A 6 19.134 -12.388 0.940 1.00 0.00 C ATOM 50 C SER A 6 18.895 -11.058 1.649 1.00 0.00 C ATOM 51 O SER A 6 19.809 -10.248 1.799 1.00 0.00 O ATOM 52 CB SER A 6 19.632 -13.431 1.942 1.00 0.00 C ATOM 53 OG SER A 6 19.673 -14.721 1.357 1.00 0.00 O ATOM 0 H SER A 6 21.007 -11.880 0.143 1.00 0.00 H new ATOM 0 HA SER A 6 18.190 -12.727 0.513 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.626 -13.156 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.978 -13.444 2.814 1.00 0.00 H new ATOM 0 HG SER A 6 19.996 -15.369 2.017 1.00 0.00 H new ATOM 59 N GLY A 7 17.657 -10.841 2.084 1.00 0.00 N ATOM 60 CA GLY A 7 17.318 -9.609 2.772 1.00 0.00 C ATOM 61 C GLY A 7 16.077 -8.950 2.204 1.00 0.00 C ATOM 62 O GLY A 7 14.971 -9.156 2.705 1.00 0.00 O ATOM 0 H GLY A 7 16.883 -11.496 1.972 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.162 -9.819 3.830 1.00 0.00 H new ATOM 0 HA3 GLY A 7 18.157 -8.916 2.704 1.00 0.00 H new ATOM 66 N LYS A 8 16.259 -8.154 1.155 1.00 0.00 N ATOM 67 CA LYS A 8 15.145 -7.462 0.518 1.00 0.00 C ATOM 68 C LYS A 8 15.609 -6.719 -0.731 1.00 0.00 C ATOM 69 O LYS A 8 16.751 -6.264 -0.805 1.00 0.00 O ATOM 70 CB LYS A 8 14.500 -6.480 1.498 1.00 0.00 C ATOM 71 CG LYS A 8 15.310 -5.213 1.712 1.00 0.00 C ATOM 72 CD LYS A 8 16.479 -5.450 2.653 1.00 0.00 C ATOM 73 CE LYS A 8 16.033 -5.446 4.107 1.00 0.00 C ATOM 74 NZ LYS A 8 15.751 -4.069 4.597 1.00 0.00 N ATOM 0 H LYS A 8 17.168 -7.972 0.728 1.00 0.00 H new ATOM 0 HA LYS A 8 14.407 -8.208 0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.510 -6.210 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 8 14.359 -6.977 2.458 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.681 -4.851 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.666 -4.433 2.119 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.949 -6.405 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 8 17.233 -4.678 2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 8 15.139 -6.060 4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.807 -5.900 4.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.599 -4.091 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.559 -3.451 4.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 14.898 -3.702 4.129 1.00 0.00 H new ATOM 88 N ARG A 9 14.717 -6.598 -1.708 1.00 0.00 N ATOM 89 CA ARG A 9 15.036 -5.910 -2.953 1.00 0.00 C ATOM 90 C ARG A 9 13.770 -5.624 -3.756 1.00 0.00 C ATOM 91 O ARG A 9 12.982 -6.528 -4.037 1.00 0.00 O ATOM 92 CB ARG A 9 16.005 -6.747 -3.790 1.00 0.00 C ATOM 93 CG ARG A 9 16.697 -5.959 -4.890 1.00 0.00 C ATOM 94 CD ARG A 9 15.789 -5.768 -6.094 1.00 0.00 C ATOM 95 NE ARG A 9 16.480 -5.114 -7.202 1.00 0.00 N ATOM 96 CZ ARG A 9 15.941 -4.941 -8.404 1.00 0.00 C ATOM 97 NH1 ARG A 9 14.712 -5.371 -8.652 1.00 0.00 N ATOM 98 NH2 ARG A 9 16.633 -4.336 -9.362 1.00 0.00 N ATOM 0 H ARG A 9 13.767 -6.967 -1.662 1.00 0.00 H new ATOM 0 HA ARG A 9 15.510 -4.961 -2.703 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.761 -7.178 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.460 -7.578 -4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 9 17.002 -4.986 -4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.604 -6.480 -5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.414 -6.737 -6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.923 -5.172 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 9 17.428 -4.771 -7.045 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.177 -5.836 -7.919 1.00 0.00 H new ATOM 0 HH12 ARG A 9 14.301 -5.236 -9.576 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.579 -4.004 -9.175 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.219 -4.204 -10.285 1.00 0.00 H new ATOM 112 N LYS A 10 13.581 -4.361 -4.122 1.00 0.00 N ATOM 113 CA LYS A 10 12.412 -3.954 -4.893 1.00 0.00 C ATOM 114 C LYS A 10 12.764 -2.834 -5.866 1.00 0.00 C ATOM 115 O LYS A 10 13.754 -2.124 -5.680 1.00 0.00 O ATOM 116 CB LYS A 10 11.291 -3.497 -3.956 1.00 0.00 C ATOM 117 CG LYS A 10 10.881 -4.549 -2.940 1.00 0.00 C ATOM 118 CD LYS A 10 9.561 -4.197 -2.275 1.00 0.00 C ATOM 119 CE LYS A 10 9.366 -4.970 -0.980 1.00 0.00 C ATOM 120 NZ LYS A 10 8.800 -6.325 -1.223 1.00 0.00 N ATOM 0 H LYS A 10 14.223 -3.601 -3.897 1.00 0.00 H new ATOM 0 HA LYS A 10 12.069 -4.815 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.614 -2.600 -3.428 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.421 -3.221 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.795 -5.518 -3.432 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.657 -4.645 -2.181 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.530 -3.127 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 10 8.739 -4.415 -2.957 1.00 0.00 H new ATOM 0 HE2 LYS A 10 10.322 -5.063 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.702 -4.412 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 8.698 -6.826 -0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 7.868 -6.236 -1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.438 -6.861 -1.845 1.00 0.00 H new ATOM 134 N THR A 11 11.948 -2.678 -6.904 1.00 0.00 N ATOM 135 CA THR A 11 12.174 -1.643 -7.905 1.00 0.00 C ATOM 136 C THR A 11 10.925 -0.794 -8.109 1.00 0.00 C ATOM 137 O THR A 11 9.804 -1.260 -7.902 1.00 0.00 O ATOM 138 CB THR A 11 12.594 -2.252 -9.256 1.00 0.00 C ATOM 139 OG1 THR A 11 12.219 -1.376 -10.326 1.00 0.00 O ATOM 140 CG2 THR A 11 11.949 -3.615 -9.460 1.00 0.00 C ATOM 0 H THR A 11 11.124 -3.256 -7.073 1.00 0.00 H new ATOM 0 HA THR A 11 12.981 -1.012 -7.532 1.00 0.00 H new ATOM 0 HB THR A 11 13.677 -2.377 -9.252 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.491 -1.769 -11.181 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.261 -4.025 -10.421 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.260 -4.288 -8.661 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.864 -3.510 -9.445 1.00 0.00 H new ATOM 148 N LYS A 12 11.124 0.454 -8.518 1.00 0.00 N ATOM 149 CA LYS A 12 10.013 1.369 -8.753 1.00 0.00 C ATOM 150 C LYS A 12 8.799 0.623 -9.297 1.00 0.00 C ATOM 151 O LYS A 12 7.702 0.722 -8.749 1.00 0.00 O ATOM 152 CB LYS A 12 10.430 2.469 -9.732 1.00 0.00 C ATOM 153 CG LYS A 12 9.317 3.451 -10.054 1.00 0.00 C ATOM 154 CD LYS A 12 9.033 4.375 -8.882 1.00 0.00 C ATOM 155 CE LYS A 12 9.989 5.558 -8.860 1.00 0.00 C ATOM 156 NZ LYS A 12 11.256 5.233 -8.148 1.00 0.00 N ATOM 0 H LYS A 12 12.045 0.856 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 12 9.741 1.823 -7.800 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.275 3.015 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.776 2.008 -10.657 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.594 4.043 -10.926 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.411 2.903 -10.315 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.007 4.737 -8.943 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.120 3.818 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.214 5.862 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.506 6.406 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.567 6.059 -7.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.097 4.430 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.989 4.982 -8.841 1.00 0.00 H new ATOM 170 N GLU A 13 9.004 -0.123 -10.378 1.00 0.00 N ATOM 171 CA GLU A 13 7.926 -0.886 -10.995 1.00 0.00 C ATOM 172 C GLU A 13 7.172 -1.704 -9.950 1.00 0.00 C ATOM 173 O GLU A 13 5.989 -1.472 -9.700 1.00 0.00 O ATOM 174 CB GLU A 13 8.481 -1.811 -12.080 1.00 0.00 C ATOM 175 CG GLU A 13 8.611 -1.145 -13.439 1.00 0.00 C ATOM 176 CD GLU A 13 9.348 -2.010 -14.444 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.596 -1.973 -14.454 1.00 0.00 O ATOM 178 OE2 GLU A 13 8.677 -2.722 -15.219 1.00 0.00 O ATOM 0 H GLU A 13 9.907 -0.215 -10.844 1.00 0.00 H new ATOM 0 HA GLU A 13 7.231 -0.181 -11.451 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.460 -2.176 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.831 -2.681 -12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.617 -0.914 -13.823 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.137 -0.197 -13.326 1.00 0.00 H new ATOM 185 N GLN A 14 7.865 -2.663 -9.344 1.00 0.00 N ATOM 186 CA GLN A 14 7.261 -3.516 -8.328 1.00 0.00 C ATOM 187 C GLN A 14 6.576 -2.680 -7.252 1.00 0.00 C ATOM 188 O GLN A 14 5.366 -2.785 -7.046 1.00 0.00 O ATOM 189 CB GLN A 14 8.322 -4.417 -7.692 1.00 0.00 C ATOM 190 CG GLN A 14 8.898 -5.448 -8.649 1.00 0.00 C ATOM 191 CD GLN A 14 10.114 -6.154 -8.084 1.00 0.00 C ATOM 192 OE1 GLN A 14 11.054 -5.514 -7.612 1.00 0.00 O ATOM 193 NE2 GLN A 14 10.102 -7.481 -8.127 1.00 0.00 N ATOM 0 H GLN A 14 8.845 -2.868 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 14 6.509 -4.138 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.132 -3.796 -7.310 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.884 -4.932 -6.837 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.132 -6.186 -8.886 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.169 -4.958 -9.584 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.302 -7.971 -8.527 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.893 -8.010 -7.760 1.00 0.00 H new ATOM 202 N LEU A 15 7.356 -1.850 -6.568 1.00 0.00 N ATOM 203 CA LEU A 15 6.824 -0.995 -5.513 1.00 0.00 C ATOM 204 C LEU A 15 5.572 -0.263 -5.984 1.00 0.00 C ATOM 205 O LEU A 15 4.634 -0.060 -5.214 1.00 0.00 O ATOM 206 CB LEU A 15 7.882 0.015 -5.066 1.00 0.00 C ATOM 207 CG LEU A 15 8.917 -0.495 -4.063 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.772 0.652 -3.548 1.00 0.00 C ATOM 209 CD2 LEU A 15 8.233 -1.213 -2.910 1.00 0.00 C ATOM 0 H LEU A 15 8.359 -1.751 -6.725 1.00 0.00 H new ATOM 0 HA LEU A 15 6.555 -1.628 -4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.409 0.374 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.373 0.874 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 15 9.568 -1.206 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.503 0.270 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.291 1.122 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.136 1.388 -3.056 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.985 -1.569 -2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.558 -0.525 -2.402 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.666 -2.061 -3.294 1.00 0.00 H new ATOM 221 N ALA A 16 5.564 0.128 -7.254 1.00 0.00 N ATOM 222 CA ALA A 16 4.425 0.833 -7.829 1.00 0.00 C ATOM 223 C ALA A 16 3.128 0.066 -7.594 1.00 0.00 C ATOM 224 O ALA A 16 2.130 0.635 -7.152 1.00 0.00 O ATOM 225 CB ALA A 16 4.643 1.062 -9.317 1.00 0.00 C ATOM 0 H ALA A 16 6.333 -0.032 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 16 4.339 1.799 -7.332 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.785 1.589 -9.734 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.543 1.659 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.758 0.102 -9.820 1.00 0.00 H new ATOM 231 N ILE A 17 3.150 -1.229 -7.893 1.00 0.00 N ATOM 232 CA ILE A 17 1.976 -2.074 -7.713 1.00 0.00 C ATOM 233 C ILE A 17 1.563 -2.137 -6.247 1.00 0.00 C ATOM 234 O ILE A 17 0.382 -2.284 -5.929 1.00 0.00 O ATOM 235 CB ILE A 17 2.228 -3.504 -8.226 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.308 -3.515 -9.754 1.00 0.00 C ATOM 237 CG2 ILE A 17 1.132 -4.441 -7.741 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.167 -4.631 -10.306 1.00 0.00 C ATOM 0 H ILE A 17 3.968 -1.715 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 17 1.172 -1.624 -8.295 1.00 0.00 H new ATOM 0 HB ILE A 17 3.181 -3.854 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.301 -3.607 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.705 -2.559 -10.096 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.324 -5.448 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.119 -4.452 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.167 -4.095 -8.112 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.178 -4.577 -11.395 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.184 -4.529 -9.927 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.759 -5.592 -9.994 1.00 0.00 H new ATOM 250 N LEU A 18 2.542 -2.023 -5.357 1.00 0.00 N ATOM 251 CA LEU A 18 2.281 -2.065 -3.922 1.00 0.00 C ATOM 252 C LEU A 18 1.654 -0.759 -3.444 1.00 0.00 C ATOM 253 O LEU A 18 0.607 -0.760 -2.797 1.00 0.00 O ATOM 254 CB LEU A 18 3.577 -2.332 -3.155 1.00 0.00 C ATOM 255 CG LEU A 18 3.918 -3.802 -2.905 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.329 -3.936 -2.354 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.910 -4.428 -1.952 1.00 0.00 C ATOM 0 H LEU A 18 3.524 -1.901 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 18 1.579 -2.876 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.401 -1.877 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.517 -1.825 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 18 3.869 -4.334 -3.855 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.554 -4.989 -2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.040 -3.525 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.406 -3.390 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.168 -5.474 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.927 -3.894 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.912 -4.365 -2.385 1.00 0.00 H new ATOM 269 N LYS A 19 2.301 0.355 -3.770 1.00 0.00 N ATOM 270 CA LYS A 19 1.807 1.670 -3.378 1.00 0.00 C ATOM 271 C LYS A 19 0.303 1.777 -3.608 1.00 0.00 C ATOM 272 O LYS A 19 -0.420 2.352 -2.795 1.00 0.00 O ATOM 273 CB LYS A 19 2.533 2.765 -4.162 1.00 0.00 C ATOM 274 CG LYS A 19 3.985 2.944 -3.755 1.00 0.00 C ATOM 275 CD LYS A 19 4.610 4.152 -4.433 1.00 0.00 C ATOM 276 CE LYS A 19 6.114 4.200 -4.211 1.00 0.00 C ATOM 277 NZ LYS A 19 6.775 5.187 -5.109 1.00 0.00 N ATOM 0 H LYS A 19 3.169 0.373 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 19 2.004 1.802 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.489 2.529 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.007 3.709 -4.023 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.049 3.060 -2.673 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.549 2.048 -4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.400 4.120 -5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.155 5.064 -4.046 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.320 4.459 -3.172 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.538 3.211 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.799 5.190 -4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.600 4.926 -6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.388 6.135 -4.927 1.00 0.00 H new ATOM 291 N SER A 20 -0.162 1.217 -4.721 1.00 0.00 N ATOM 292 CA SER A 20 -1.580 1.252 -5.059 1.00 0.00 C ATOM 293 C SER A 20 -2.393 0.410 -4.080 1.00 0.00 C ATOM 294 O SER A 20 -3.531 0.746 -3.750 1.00 0.00 O ATOM 295 CB SER A 20 -1.798 0.746 -6.486 1.00 0.00 C ATOM 296 OG SER A 20 -2.970 1.306 -7.053 1.00 0.00 O ATOM 0 H SER A 20 0.423 0.734 -5.403 1.00 0.00 H new ATOM 0 HA SER A 20 -1.919 2.286 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.935 1.001 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.876 -0.341 -6.482 1.00 0.00 H new ATOM 0 HG SER A 20 -3.086 0.968 -7.966 1.00 0.00 H new ATOM 302 N PHE A 21 -1.800 -0.686 -3.618 1.00 0.00 N ATOM 303 CA PHE A 21 -2.468 -1.577 -2.676 1.00 0.00 C ATOM 304 C PHE A 21 -2.546 -0.945 -1.290 1.00 0.00 C ATOM 305 O PHE A 21 -3.612 -0.894 -0.677 1.00 0.00 O ATOM 306 CB PHE A 21 -1.731 -2.916 -2.598 1.00 0.00 C ATOM 307 CG PHE A 21 -2.630 -4.077 -2.281 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.996 -4.349 -0.973 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.107 -4.897 -3.291 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.823 -5.417 -0.678 1.00 0.00 C ATOM 311 CE2 PHE A 21 -3.934 -5.965 -3.002 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.292 -6.226 -1.694 1.00 0.00 C ATOM 0 H PHE A 21 -0.859 -0.978 -3.880 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.483 -1.749 -3.035 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.231 -3.103 -3.549 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.954 -2.850 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.631 -3.720 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.829 -4.699 -4.316 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.102 -5.618 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.300 -6.596 -3.799 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.938 -7.061 -1.466 1.00 0.00 H new ATOM 322 N PHE A 22 -1.407 -0.464 -0.801 1.00 0.00 N ATOM 323 CA PHE A 22 -1.345 0.164 0.514 1.00 0.00 C ATOM 324 C PHE A 22 -2.468 1.183 0.684 1.00 0.00 C ATOM 325 O PHE A 22 -3.138 1.219 1.717 1.00 0.00 O ATOM 326 CB PHE A 22 0.011 0.844 0.714 1.00 0.00 C ATOM 327 CG PHE A 22 0.164 1.492 2.060 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.215 0.723 3.212 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.258 2.870 2.174 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.355 1.317 4.452 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.399 3.469 3.411 1.00 0.00 C ATOM 332 CZ PHE A 22 0.448 2.692 4.551 1.00 0.00 C ATOM 0 H PHE A 22 -0.515 -0.497 -1.295 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.468 -0.614 1.267 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.802 0.105 0.583 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.148 1.598 -0.061 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.145 -0.352 3.140 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.221 3.483 1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.392 0.707 5.343 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.471 4.544 3.486 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.559 3.158 5.519 1.00 0.00 H new ATOM 342 N LEU A 23 -2.667 2.010 -0.336 1.00 0.00 N ATOM 343 CA LEU A 23 -3.708 3.031 -0.301 1.00 0.00 C ATOM 344 C LEU A 23 -5.083 2.400 -0.108 1.00 0.00 C ATOM 345 O LEU A 23 -5.831 2.783 0.791 1.00 0.00 O ATOM 346 CB LEU A 23 -3.688 3.853 -1.591 1.00 0.00 C ATOM 347 CG LEU A 23 -2.344 4.475 -1.969 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.219 4.598 -3.480 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.179 5.835 -1.306 1.00 0.00 C ATOM 0 H LEU A 23 -2.121 1.994 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.508 3.689 0.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.013 3.213 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.423 4.653 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.549 3.820 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.256 5.043 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.291 3.609 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.021 5.230 -3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.216 6.262 -1.587 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.980 6.499 -1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.223 5.720 -0.223 1.00 0.00 H new ATOM 361 N GLN A 24 -5.408 1.430 -0.957 1.00 0.00 N ATOM 362 CA GLN A 24 -6.693 0.745 -0.878 1.00 0.00 C ATOM 363 C GLN A 24 -6.839 0.012 0.452 1.00 0.00 C ATOM 364 O GLN A 24 -7.943 -0.121 0.980 1.00 0.00 O ATOM 365 CB GLN A 24 -6.840 -0.242 -2.037 1.00 0.00 C ATOM 366 CG GLN A 24 -7.084 0.428 -3.380 1.00 0.00 C ATOM 367 CD GLN A 24 -8.545 0.761 -3.609 1.00 0.00 C ATOM 368 OE1 GLN A 24 -9.368 -0.126 -3.838 1.00 0.00 O ATOM 369 NE2 GLN A 24 -8.876 2.046 -3.548 1.00 0.00 N ATOM 0 H GLN A 24 -4.800 1.101 -1.707 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.481 1.495 -0.946 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.938 -0.850 -2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.666 -0.920 -1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.493 1.342 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.735 -0.228 -4.178 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.162 2.748 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.845 2.331 -3.694 1.00 0.00 H new ATOM 378 N CYS A 25 -5.718 -0.461 0.986 1.00 0.00 N ATOM 379 CA CYS A 25 -5.721 -1.182 2.254 1.00 0.00 C ATOM 380 C CYS A 25 -4.332 -1.179 2.884 1.00 0.00 C ATOM 381 O CYS A 25 -3.402 -1.792 2.361 1.00 0.00 O ATOM 382 CB CYS A 25 -6.197 -2.620 2.045 1.00 0.00 C ATOM 383 SG CYS A 25 -6.963 -3.364 3.505 1.00 0.00 S ATOM 0 H CYS A 25 -4.796 -0.358 0.561 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.408 -0.675 2.931 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.913 -2.639 1.223 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.348 -3.232 1.742 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.235 -4.359 3.918 1.00 0.00 H new ATOM 389 N GLN A 26 -4.200 -0.484 4.009 1.00 0.00 N ATOM 390 CA GLN A 26 -2.924 -0.399 4.709 1.00 0.00 C ATOM 391 C GLN A 26 -2.493 -1.769 5.223 1.00 0.00 C ATOM 392 O GLN A 26 -1.320 -1.989 5.523 1.00 0.00 O ATOM 393 CB GLN A 26 -3.021 0.588 5.874 1.00 0.00 C ATOM 394 CG GLN A 26 -3.072 2.043 5.435 1.00 0.00 C ATOM 395 CD GLN A 26 -4.463 2.478 5.017 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.327 2.728 5.858 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.687 2.571 3.711 1.00 0.00 N ATOM 0 H GLN A 26 -4.961 0.028 4.455 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.174 -0.043 4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.913 0.362 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.164 0.445 6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.727 2.677 6.252 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.384 2.192 4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.942 2.354 3.049 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.604 2.859 3.370 1.00 0.00 H new ATOM 406 N TRP A 27 -3.450 -2.685 5.323 1.00 0.00 N ATOM 407 CA TRP A 27 -3.169 -4.034 5.801 1.00 0.00 C ATOM 408 C TRP A 27 -3.802 -5.078 4.889 1.00 0.00 C ATOM 409 O TRP A 27 -5.025 -5.206 4.832 1.00 0.00 O ATOM 410 CB TRP A 27 -3.684 -4.208 7.231 1.00 0.00 C ATOM 411 CG TRP A 27 -3.245 -3.115 8.157 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.613 -1.801 8.108 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.353 -3.242 9.270 1.00 0.00 C ATOM 414 NE1 TRP A 27 -3.004 -1.103 9.123 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.226 -1.965 9.851 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.650 -4.310 9.834 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.425 -1.730 10.965 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.855 -4.075 10.940 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.749 -2.794 11.496 1.00 0.00 C ATOM 0 H TRP A 27 -4.426 -2.518 5.080 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.089 -4.178 5.791 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.773 -4.246 7.215 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.338 -5.165 7.620 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.284 -1.373 7.378 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.113 -0.105 9.305 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.727 -5.302 9.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.340 -0.743 11.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -0.306 -4.893 11.383 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.121 -2.643 12.361 1.00 0.00 H new ATOM 430 N ALA A 28 -2.963 -5.823 4.177 1.00 0.00 N ATOM 431 CA ALA A 28 -3.442 -6.858 3.269 1.00 0.00 C ATOM 432 C ALA A 28 -3.652 -8.178 4.002 1.00 0.00 C ATOM 433 O ALA A 28 -3.071 -8.408 5.063 1.00 0.00 O ATOM 434 CB ALA A 28 -2.466 -7.042 2.116 1.00 0.00 C ATOM 0 H ALA A 28 -1.948 -5.729 4.211 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.404 -6.538 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.836 -7.818 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.370 -6.105 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.492 -7.335 2.507 1.00 0.00 H new ATOM 440 N ARG A 29 -4.485 -9.041 3.431 1.00 0.00 N ATOM 441 CA ARG A 29 -4.773 -10.338 4.033 1.00 0.00 C ATOM 442 C ARG A 29 -3.962 -11.441 3.359 1.00 0.00 C ATOM 443 O ARG A 29 -3.317 -11.214 2.336 1.00 0.00 O ATOM 444 CB ARG A 29 -6.266 -10.652 3.929 1.00 0.00 C ATOM 445 CG ARG A 29 -7.145 -9.709 4.735 1.00 0.00 C ATOM 446 CD ARG A 29 -7.546 -8.489 3.920 1.00 0.00 C ATOM 447 NE ARG A 29 -8.267 -7.507 4.725 1.00 0.00 N ATOM 448 CZ ARG A 29 -8.911 -6.465 4.210 1.00 0.00 C ATOM 449 NH1 ARG A 29 -8.922 -6.271 2.899 1.00 0.00 N ATOM 450 NH2 ARG A 29 -9.545 -5.615 5.008 1.00 0.00 N ATOM 0 H ARG A 29 -4.973 -8.866 2.552 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.491 -10.294 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.566 -10.608 2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.438 -11.674 4.267 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -8.039 -10.237 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.613 -9.390 5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.654 -8.027 3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.171 -8.801 3.083 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.277 -7.627 5.738 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.435 -6.922 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.417 -5.470 2.506 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.538 -5.761 6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.039 -4.815 4.612 1.00 0.00 H new ATOM 464 N ARG A 30 -4.000 -12.635 3.942 1.00 0.00 N ATOM 465 CA ARG A 30 -3.268 -13.773 3.399 1.00 0.00 C ATOM 466 C ARG A 30 -3.778 -14.135 2.007 1.00 0.00 C ATOM 467 O ARG A 30 -3.045 -14.696 1.194 1.00 0.00 O ATOM 468 CB ARG A 30 -3.395 -14.980 4.331 1.00 0.00 C ATOM 469 CG ARG A 30 -2.303 -16.019 4.135 1.00 0.00 C ATOM 470 CD ARG A 30 -2.182 -16.934 5.344 1.00 0.00 C ATOM 471 NE ARG A 30 -0.972 -17.750 5.293 1.00 0.00 N ATOM 472 CZ ARG A 30 -0.591 -18.561 6.274 1.00 0.00 C ATOM 473 NH1 ARG A 30 -1.320 -18.662 7.376 1.00 0.00 N ATOM 474 NH2 ARG A 30 0.523 -19.272 6.153 1.00 0.00 N ATOM 0 H ARG A 30 -4.529 -12.839 4.790 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.218 -13.493 3.320 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.374 -14.634 5.364 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.365 -15.451 4.172 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -2.520 -16.614 3.247 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.351 -15.519 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.177 -16.334 6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.056 -17.584 5.396 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.388 -17.694 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.176 -18.116 7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.025 -19.286 8.127 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.087 -19.196 5.307 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.815 -19.894 6.906 1.00 0.00 H new ATOM 488 N GLU A 31 -5.040 -13.811 1.743 1.00 0.00 N ATOM 489 CA GLU A 31 -5.648 -14.103 0.450 1.00 0.00 C ATOM 490 C GLU A 31 -5.230 -13.072 -0.594 1.00 0.00 C ATOM 491 O GLU A 31 -5.252 -13.344 -1.795 1.00 0.00 O ATOM 492 CB GLU A 31 -7.173 -14.130 0.573 1.00 0.00 C ATOM 493 CG GLU A 31 -7.763 -12.837 1.110 1.00 0.00 C ATOM 494 CD GLU A 31 -9.274 -12.788 0.984 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.946 -13.656 1.580 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.783 -11.884 0.290 1.00 0.00 O ATOM 0 H GLU A 31 -5.660 -13.347 2.406 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.299 -15.084 0.127 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.604 -14.337 -0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.462 -14.951 1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.486 -12.723 2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.330 -11.994 0.572 1.00 0.00 H new ATOM 503 N ASP A 32 -4.849 -11.888 -0.128 1.00 0.00 N ATOM 504 CA ASP A 32 -4.424 -10.815 -1.020 1.00 0.00 C ATOM 505 C ASP A 32 -2.932 -10.917 -1.321 1.00 0.00 C ATOM 506 O ASP A 32 -2.499 -10.687 -2.450 1.00 0.00 O ATOM 507 CB ASP A 32 -4.741 -9.453 -0.401 1.00 0.00 C ATOM 508 CG ASP A 32 -6.151 -8.990 -0.709 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.671 -9.348 -1.787 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.736 -8.271 0.128 1.00 0.00 O ATOM 0 H ASP A 32 -4.826 -11.647 0.863 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.972 -10.916 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.608 -9.509 0.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.030 -8.715 -0.772 1.00 0.00 H new ATOM 515 N TYR A 33 -2.151 -11.261 -0.303 1.00 0.00 N ATOM 516 CA TYR A 33 -0.707 -11.390 -0.457 1.00 0.00 C ATOM 517 C TYR A 33 -0.364 -12.337 -1.603 1.00 0.00 C ATOM 518 O TYR A 33 0.464 -12.020 -2.457 1.00 0.00 O ATOM 519 CB TYR A 33 -0.077 -11.894 0.842 1.00 0.00 C ATOM 520 CG TYR A 33 0.004 -10.841 1.924 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.471 -9.562 1.642 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.384 -11.124 3.227 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.547 -8.597 2.627 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.312 -10.164 4.219 1.00 0.00 C ATOM 525 CZ TYR A 33 0.154 -8.903 3.914 1.00 0.00 C ATOM 526 OH TYR A 33 0.229 -7.944 4.899 1.00 0.00 O ATOM 0 H TYR A 33 -2.494 -11.456 0.638 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.303 -10.405 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.656 -12.740 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.926 -12.263 0.630 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.779 -9.319 0.636 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.748 -12.111 3.470 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.912 -7.608 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.619 -10.401 5.227 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.086 -8.321 5.747 1.00 0.00 H new ATOM 536 N GLN A 34 -1.007 -13.500 -1.613 1.00 0.00 N ATOM 537 CA GLN A 34 -0.770 -14.494 -2.653 1.00 0.00 C ATOM 538 C GLN A 34 -0.883 -13.869 -4.040 1.00 0.00 C ATOM 539 O GLN A 34 -0.314 -14.372 -5.008 1.00 0.00 O ATOM 540 CB GLN A 34 -1.763 -15.650 -2.519 1.00 0.00 C ATOM 541 CG GLN A 34 -3.211 -15.235 -2.730 1.00 0.00 C ATOM 542 CD GLN A 34 -4.112 -16.410 -3.057 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.743 -17.566 -2.853 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.303 -16.118 -3.567 1.00 0.00 N ATOM 0 H GLN A 34 -1.696 -13.777 -0.913 1.00 0.00 H new ATOM 0 HA GLN A 34 0.243 -14.878 -2.529 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.506 -16.424 -3.242 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.661 -16.093 -1.528 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.578 -14.740 -1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.262 -14.506 -3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.568 -15.145 -3.720 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.953 -16.867 -3.806 1.00 0.00 H new ATOM 553 N LYS A 35 -1.623 -12.769 -4.129 1.00 0.00 N ATOM 554 CA LYS A 35 -1.811 -12.073 -5.396 1.00 0.00 C ATOM 555 C LYS A 35 -0.657 -11.114 -5.667 1.00 0.00 C ATOM 556 O LYS A 35 -0.135 -11.053 -6.781 1.00 0.00 O ATOM 557 CB LYS A 35 -3.135 -11.305 -5.388 1.00 0.00 C ATOM 558 CG LYS A 35 -3.386 -10.513 -6.659 1.00 0.00 C ATOM 559 CD LYS A 35 -4.213 -9.268 -6.386 1.00 0.00 C ATOM 560 CE LYS A 35 -5.685 -9.604 -6.205 1.00 0.00 C ATOM 561 NZ LYS A 35 -5.924 -10.396 -4.967 1.00 0.00 N ATOM 0 H LYS A 35 -2.103 -12.340 -3.338 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.835 -12.818 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.953 -12.010 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.145 -10.624 -4.537 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.433 -10.227 -7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.902 -11.142 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.840 -8.771 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.098 -8.566 -7.212 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.266 -8.682 -6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.038 -10.166 -7.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.861 -10.162 -4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.886 -11.411 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.192 -10.169 -4.263 1.00 0.00 H new ATOM 575 N LEU A 36 -0.261 -10.367 -4.642 1.00 0.00 N ATOM 576 CA LEU A 36 0.833 -9.411 -4.769 1.00 0.00 C ATOM 577 C LEU A 36 2.093 -10.093 -5.294 1.00 0.00 C ATOM 578 O LEU A 36 2.838 -9.515 -6.085 1.00 0.00 O ATOM 579 CB LEU A 36 1.121 -8.753 -3.419 1.00 0.00 C ATOM 580 CG LEU A 36 0.017 -7.853 -2.862 1.00 0.00 C ATOM 581 CD1 LEU A 36 0.227 -7.608 -1.376 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.029 -6.534 -3.620 1.00 0.00 C ATOM 0 H LEU A 36 -0.682 -10.405 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 36 0.532 -8.644 -5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.324 -9.538 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.032 -8.162 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.939 -8.359 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.568 -6.966 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.209 -8.559 -0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.191 -7.123 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.820 -5.906 -3.210 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.928 -6.023 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.228 -6.727 -4.674 1.00 0.00 H new ATOM 594 N GLU A 37 2.322 -11.324 -4.850 1.00 0.00 N ATOM 595 CA GLU A 37 3.491 -12.084 -5.276 1.00 0.00 C ATOM 596 C GLU A 37 3.363 -12.505 -6.738 1.00 0.00 C ATOM 597 O GLU A 37 4.308 -13.025 -7.329 1.00 0.00 O ATOM 598 CB GLU A 37 3.674 -13.320 -4.393 1.00 0.00 C ATOM 599 CG GLU A 37 5.016 -14.009 -4.580 1.00 0.00 C ATOM 600 CD GLU A 37 4.940 -15.506 -4.350 1.00 0.00 C ATOM 601 OE1 GLU A 37 4.016 -16.144 -4.895 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.806 -16.038 -3.624 1.00 0.00 O ATOM 0 H GLU A 37 1.714 -11.816 -4.196 1.00 0.00 H new ATOM 0 HA GLU A 37 4.366 -11.442 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.567 -13.029 -3.348 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.877 -14.031 -4.609 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.381 -13.818 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.742 -13.576 -3.892 1.00 0.00 H new ATOM 609 N GLN A 38 2.186 -12.278 -7.311 1.00 0.00 N ATOM 610 CA GLN A 38 1.933 -12.635 -8.702 1.00 0.00 C ATOM 611 C GLN A 38 2.025 -11.408 -9.604 1.00 0.00 C ATOM 612 O GLN A 38 2.315 -11.522 -10.796 1.00 0.00 O ATOM 613 CB GLN A 38 0.554 -13.282 -8.842 1.00 0.00 C ATOM 614 CG GLN A 38 0.295 -13.869 -10.221 1.00 0.00 C ATOM 615 CD GLN A 38 1.013 -15.186 -10.439 1.00 0.00 C ATOM 616 OE1 GLN A 38 1.567 -15.766 -9.505 1.00 0.00 O ATOM 617 NE2 GLN A 38 1.007 -15.665 -11.677 1.00 0.00 N ATOM 0 H GLN A 38 1.393 -11.849 -6.834 1.00 0.00 H new ATOM 0 HA GLN A 38 2.695 -13.350 -9.012 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.454 -14.070 -8.096 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.212 -12.537 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.777 -14.018 -10.353 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.614 -13.156 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.535 -15.150 -12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.474 -16.548 -11.885 1.00 0.00 H new ATOM 626 N ILE A 39 1.777 -10.237 -9.029 1.00 0.00 N ATOM 627 CA ILE A 39 1.833 -8.989 -9.781 1.00 0.00 C ATOM 628 C ILE A 39 3.189 -8.311 -9.620 1.00 0.00 C ATOM 629 O ILE A 39 3.760 -7.802 -10.586 1.00 0.00 O ATOM 630 CB ILE A 39 0.727 -8.014 -9.337 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.369 -8.249 -7.868 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.503 -8.169 -10.219 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.342 -7.080 -7.225 1.00 0.00 C ATOM 0 H ILE A 39 1.535 -10.126 -8.044 1.00 0.00 H new ATOM 0 HA ILE A 39 1.680 -9.245 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 39 1.099 -6.995 -9.442 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.263 -9.134 -7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.281 -8.461 -7.310 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.275 -7.473 -9.892 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.237 -7.956 -11.254 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.879 -9.189 -10.143 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.565 -7.317 -6.185 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.297 -6.198 -7.267 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.271 -6.881 -7.759 1.00 0.00 H new ATOM 645 N THR A 40 3.701 -8.308 -8.394 1.00 0.00 N ATOM 646 CA THR A 40 4.991 -7.693 -8.106 1.00 0.00 C ATOM 647 C THR A 40 6.123 -8.706 -8.230 1.00 0.00 C ATOM 648 O THR A 40 7.288 -8.336 -8.372 1.00 0.00 O ATOM 649 CB THR A 40 5.018 -7.081 -6.692 1.00 0.00 C ATOM 650 OG1 THR A 40 5.042 -8.122 -5.709 1.00 0.00 O ATOM 651 CG2 THR A 40 3.807 -6.189 -6.466 1.00 0.00 C ATOM 0 H THR A 40 3.242 -8.725 -7.584 1.00 0.00 H new ATOM 0 HA THR A 40 5.134 -6.900 -8.840 1.00 0.00 H new ATOM 0 HB THR A 40 5.918 -6.474 -6.599 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.169 -8.566 -5.681 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.848 -5.768 -5.461 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.808 -5.381 -7.198 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.896 -6.777 -6.576 1.00 0.00 H new ATOM 659 N GLY A 41 5.773 -9.988 -8.178 1.00 0.00 N ATOM 660 CA GLY A 41 6.772 -11.035 -8.287 1.00 0.00 C ATOM 661 C GLY A 41 7.633 -11.147 -7.044 1.00 0.00 C ATOM 662 O GLY A 41 8.525 -11.994 -6.972 1.00 0.00 O ATOM 0 H GLY A 41 4.815 -10.320 -8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.276 -11.988 -8.469 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.408 -10.837 -9.149 1.00 0.00 H new ATOM 666 N LEU A 42 7.368 -10.291 -6.064 1.00 0.00 N ATOM 667 CA LEU A 42 8.126 -10.296 -4.818 1.00 0.00 C ATOM 668 C LEU A 42 7.573 -11.335 -3.848 1.00 0.00 C ATOM 669 O LEU A 42 6.362 -11.500 -3.700 1.00 0.00 O ATOM 670 CB LEU A 42 8.093 -8.910 -4.171 1.00 0.00 C ATOM 671 CG LEU A 42 8.684 -7.768 -5.000 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.111 -6.432 -4.553 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.202 -7.762 -4.892 1.00 0.00 C ATOM 0 H LEU A 42 6.634 -9.584 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 42 9.158 -10.557 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.057 -8.665 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.630 -8.960 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 42 8.414 -7.925 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.543 -5.632 -5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.029 -6.439 -4.682 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.350 -6.267 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 42 10.606 -6.943 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.492 -7.630 -3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.597 -8.709 -5.261 1.00 0.00 H new ATOM 685 N PRO A 43 8.480 -12.053 -3.169 1.00 0.00 N ATOM 686 CA PRO A 43 8.107 -13.087 -2.199 1.00 0.00 C ATOM 687 C PRO A 43 7.066 -12.594 -1.199 1.00 0.00 C ATOM 688 O PRO A 43 7.089 -11.435 -0.786 1.00 0.00 O ATOM 689 CB PRO A 43 9.426 -13.400 -1.488 1.00 0.00 C ATOM 690 CG PRO A 43 10.483 -13.029 -2.471 1.00 0.00 C ATOM 691 CD PRO A 43 9.941 -11.910 -3.295 1.00 0.00 C ATOM 0 HA PRO A 43 7.652 -13.952 -2.680 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.524 -12.827 -0.566 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.489 -14.454 -1.217 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.395 -12.724 -1.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.741 -13.881 -3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.281 -10.942 -2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.262 -11.987 -4.334 1.00 0.00 H new ATOM 699 N ARG A 44 6.156 -13.483 -0.813 1.00 0.00 N ATOM 700 CA ARG A 44 5.107 -13.138 0.139 1.00 0.00 C ATOM 701 C ARG A 44 5.696 -12.473 1.379 1.00 0.00 C ATOM 702 O ARG A 44 5.185 -11.470 1.878 1.00 0.00 O ATOM 703 CB ARG A 44 4.323 -14.388 0.541 1.00 0.00 C ATOM 704 CG ARG A 44 4.254 -15.442 -0.553 1.00 0.00 C ATOM 705 CD ARG A 44 3.050 -16.353 -0.373 1.00 0.00 C ATOM 706 NE ARG A 44 2.617 -16.943 -1.637 1.00 0.00 N ATOM 707 CZ ARG A 44 1.809 -17.994 -1.719 1.00 0.00 C ATOM 708 NH1 ARG A 44 1.348 -18.567 -0.615 1.00 0.00 N ATOM 709 NH2 ARG A 44 1.459 -18.473 -2.906 1.00 0.00 N ATOM 0 H ARG A 44 6.124 -14.447 -1.145 1.00 0.00 H new ATOM 0 HA ARG A 44 4.430 -12.433 -0.344 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.783 -14.826 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.310 -14.097 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.201 -14.955 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.167 -16.038 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.298 -17.147 0.332 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.228 -15.785 0.063 1.00 0.00 H new ATOM 0 HE ARG A 44 2.954 -16.525 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.614 -18.201 0.299 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.728 -19.374 -0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.811 -18.034 -3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.838 -19.280 -2.967 1.00 0.00 H new ATOM 723 N PRO A 45 6.796 -13.044 1.891 1.00 0.00 N ATOM 724 CA PRO A 45 7.478 -12.523 3.080 1.00 0.00 C ATOM 725 C PRO A 45 8.092 -11.148 2.841 1.00 0.00 C ATOM 726 O PRO A 45 8.316 -10.387 3.781 1.00 0.00 O ATOM 727 CB PRO A 45 8.575 -13.559 3.342 1.00 0.00 C ATOM 728 CG PRO A 45 8.157 -14.758 2.562 1.00 0.00 C ATOM 729 CD PRO A 45 7.460 -14.241 1.349 1.00 0.00 C ATOM 0 HA PRO A 45 6.792 -12.387 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.549 -13.195 3.017 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.659 -13.787 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 45 9.020 -15.364 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.495 -15.394 3.150 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.156 -13.998 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.747 -14.960 0.946 1.00 0.00 H new ATOM 737 N GLU A 46 8.360 -10.836 1.576 1.00 0.00 N ATOM 738 CA GLU A 46 8.947 -9.551 1.215 1.00 0.00 C ATOM 739 C GLU A 46 7.879 -8.464 1.146 1.00 0.00 C ATOM 740 O GLU A 46 8.143 -7.300 1.448 1.00 0.00 O ATOM 741 CB GLU A 46 9.671 -9.656 -0.129 1.00 0.00 C ATOM 742 CG GLU A 46 10.832 -8.687 -0.273 1.00 0.00 C ATOM 743 CD GLU A 46 11.973 -8.998 0.676 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.789 -9.886 0.353 1.00 0.00 O ATOM 745 OE2 GLU A 46 12.049 -8.352 1.743 1.00 0.00 O ATOM 0 H GLU A 46 8.180 -11.455 0.786 1.00 0.00 H new ATOM 0 HA GLU A 46 9.667 -9.280 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.041 -10.674 -0.254 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.956 -9.475 -0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.199 -8.716 -1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.478 -7.672 -0.090 1.00 0.00 H new ATOM 752 N ILE A 47 6.672 -8.853 0.748 1.00 0.00 N ATOM 753 CA ILE A 47 5.564 -7.912 0.640 1.00 0.00 C ATOM 754 C ILE A 47 4.895 -7.694 1.993 1.00 0.00 C ATOM 755 O ILE A 47 4.685 -6.557 2.416 1.00 0.00 O ATOM 756 CB ILE A 47 4.508 -8.400 -0.370 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.186 -8.912 -1.642 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.531 -7.280 -0.697 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.218 -9.482 -2.655 1.00 0.00 C ATOM 0 H ILE A 47 6.437 -9.813 0.495 1.00 0.00 H new ATOM 0 HA ILE A 47 5.983 -6.969 0.288 1.00 0.00 H new ATOM 0 HB ILE A 47 3.950 -9.223 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.741 -8.095 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.912 -9.679 -1.373 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.791 -7.640 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.028 -6.958 0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.073 -6.439 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.768 -9.826 -3.531 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.680 -10.320 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.507 -8.711 -2.953 1.00 0.00 H new ATOM 771 N ILE A 48 4.564 -8.790 2.667 1.00 0.00 N ATOM 772 CA ILE A 48 3.922 -8.718 3.973 1.00 0.00 C ATOM 773 C ILE A 48 4.640 -7.729 4.885 1.00 0.00 C ATOM 774 O ILE A 48 4.006 -6.904 5.543 1.00 0.00 O ATOM 775 CB ILE A 48 3.884 -10.097 4.659 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.082 -11.089 3.814 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.289 -9.978 6.054 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.472 -12.532 4.044 1.00 0.00 C ATOM 0 H ILE A 48 4.730 -9.738 2.330 1.00 0.00 H new ATOM 0 HA ILE A 48 2.901 -8.377 3.804 1.00 0.00 H new ATOM 0 HB ILE A 48 4.904 -10.469 4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.022 -10.968 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.217 -10.848 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.269 -10.960 6.526 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.898 -9.300 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.274 -9.588 5.984 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.863 -13.179 3.412 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.524 -12.669 3.795 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.310 -12.790 5.091 1.00 0.00 H new ATOM 790 N GLN A 49 5.965 -7.817 4.917 1.00 0.00 N ATOM 791 CA GLN A 49 6.770 -6.928 5.748 1.00 0.00 C ATOM 792 C GLN A 49 6.711 -5.496 5.227 1.00 0.00 C ATOM 793 O GLN A 49 6.549 -4.551 5.999 1.00 0.00 O ATOM 794 CB GLN A 49 8.221 -7.409 5.790 1.00 0.00 C ATOM 795 CG GLN A 49 8.965 -6.989 7.047 1.00 0.00 C ATOM 796 CD GLN A 49 10.464 -7.178 6.928 1.00 0.00 C ATOM 797 OE1 GLN A 49 10.936 -8.219 6.471 1.00 0.00 O ATOM 798 NE2 GLN A 49 11.223 -6.169 7.341 1.00 0.00 N ATOM 0 H GLN A 49 6.505 -8.494 4.378 1.00 0.00 H new ATOM 0 HA GLN A 49 6.360 -6.945 6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.237 -8.496 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.749 -7.021 4.919 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.750 -5.942 7.259 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.596 -7.568 7.894 1.00 0.00 H new ATOM 0 HE21 GLN A 49 10.790 -5.324 7.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.239 -6.239 7.286 1.00 0.00 H new ATOM 807 N TRP A 50 6.846 -5.343 3.915 1.00 0.00 N ATOM 808 CA TRP A 50 6.809 -4.025 3.291 1.00 0.00 C ATOM 809 C TRP A 50 5.678 -3.181 3.869 1.00 0.00 C ATOM 810 O TRP A 50 5.900 -2.062 4.333 1.00 0.00 O ATOM 811 CB TRP A 50 6.639 -4.159 1.777 1.00 0.00 C ATOM 812 CG TRP A 50 6.582 -2.840 1.067 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.637 -2.136 0.561 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.410 -2.068 0.786 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.191 -0.972 -0.018 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.829 -0.907 0.106 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.047 -2.245 1.040 1.00 0.00 C ATOM 818 CZ2 TRP A 50 4.933 0.070 -0.320 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.159 -1.274 0.617 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.604 -0.129 -0.057 1.00 0.00 C ATOM 0 H TRP A 50 6.982 -6.115 3.262 1.00 0.00 H new ATOM 0 HA TRP A 50 7.755 -3.525 3.500 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.467 -4.744 1.376 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.725 -4.715 1.569 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.670 -2.448 0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.779 -0.270 -0.467 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.694 -3.125 1.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.274 0.953 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.104 -1.400 0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 50 2.885 0.611 -0.375 1.00 0.00 H new ATOM 831 N PHE A 51 4.466 -3.723 3.839 1.00 0.00 N ATOM 832 CA PHE A 51 3.300 -3.019 4.360 1.00 0.00 C ATOM 833 C PHE A 51 3.601 -2.400 5.722 1.00 0.00 C ATOM 834 O PHE A 51 3.318 -1.227 5.959 1.00 0.00 O ATOM 835 CB PHE A 51 2.109 -3.973 4.473 1.00 0.00 C ATOM 836 CG PHE A 51 1.337 -4.123 3.193 1.00 0.00 C ATOM 837 CD1 PHE A 51 0.310 -3.247 2.881 1.00 0.00 C ATOM 838 CD2 PHE A 51 1.639 -5.140 2.301 1.00 0.00 C ATOM 839 CE1 PHE A 51 -0.402 -3.383 1.705 1.00 0.00 C ATOM 840 CE2 PHE A 51 0.931 -5.281 1.123 1.00 0.00 C ATOM 841 CZ PHE A 51 -0.090 -4.401 0.824 1.00 0.00 C ATOM 0 H PHE A 51 4.265 -4.648 3.459 1.00 0.00 H new ATOM 0 HA PHE A 51 3.050 -2.218 3.664 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.467 -4.953 4.789 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.438 -3.613 5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.063 -2.449 3.565 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.437 -5.831 2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.202 -2.695 1.474 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.176 -6.078 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.644 -4.508 -0.097 1.00 0.00 H new ATOM 851 N GLY A 52 4.179 -3.200 6.613 1.00 0.00 N ATOM 852 CA GLY A 52 4.509 -2.714 7.941 1.00 0.00 C ATOM 853 C GLY A 52 5.445 -1.523 7.906 1.00 0.00 C ATOM 854 O GLY A 52 5.160 -0.484 8.502 1.00 0.00 O ATOM 0 H GLY A 52 4.424 -4.175 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.592 -2.437 8.461 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.970 -3.518 8.515 1.00 0.00 H new ATOM 858 N ASP A 53 6.565 -1.672 7.208 1.00 0.00 N ATOM 859 CA ASP A 53 7.547 -0.599 7.099 1.00 0.00 C ATOM 860 C ASP A 53 6.937 0.629 6.432 1.00 0.00 C ATOM 861 O ASP A 53 7.333 1.762 6.709 1.00 0.00 O ATOM 862 CB ASP A 53 8.765 -1.073 6.305 1.00 0.00 C ATOM 863 CG ASP A 53 9.788 -1.774 7.179 1.00 0.00 C ATOM 864 OD1 ASP A 53 10.141 -1.219 8.240 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.235 -2.878 6.800 1.00 0.00 O ATOM 0 H ASP A 53 6.816 -2.525 6.709 1.00 0.00 H new ATOM 0 HA ASP A 53 7.863 -0.325 8.106 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.440 -1.751 5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.233 -0.218 5.817 1.00 0.00 H new ATOM 870 N THR A 54 5.970 0.399 5.549 1.00 0.00 N ATOM 871 CA THR A 54 5.307 1.486 4.840 1.00 0.00 C ATOM 872 C THR A 54 4.545 2.387 5.805 1.00 0.00 C ATOM 873 O THR A 54 4.584 3.612 5.687 1.00 0.00 O ATOM 874 CB THR A 54 4.330 0.950 3.777 1.00 0.00 C ATOM 875 OG1 THR A 54 5.019 0.078 2.873 1.00 0.00 O ATOM 876 CG2 THR A 54 3.694 2.093 3.000 1.00 0.00 C ATOM 0 H THR A 54 5.629 -0.531 5.308 1.00 0.00 H new ATOM 0 HA THR A 54 6.088 2.064 4.346 1.00 0.00 H new ATOM 0 HB THR A 54 3.542 0.396 4.287 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.413 -0.188 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.008 1.689 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.146 2.739 3.686 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.472 2.671 2.501 1.00 0.00 H new ATOM 884 N ARG A 55 3.853 1.774 6.760 1.00 0.00 N ATOM 885 CA ARG A 55 3.082 2.522 7.745 1.00 0.00 C ATOM 886 C ARG A 55 3.962 3.537 8.468 1.00 0.00 C ATOM 887 O ARG A 55 3.652 4.728 8.505 1.00 0.00 O ATOM 888 CB ARG A 55 2.448 1.568 8.759 1.00 0.00 C ATOM 889 CG ARG A 55 1.096 1.028 8.325 1.00 0.00 C ATOM 890 CD ARG A 55 0.270 0.569 9.516 1.00 0.00 C ATOM 891 NE ARG A 55 -0.266 1.694 10.277 1.00 0.00 N ATOM 892 CZ ARG A 55 -1.188 2.527 9.806 1.00 0.00 C ATOM 893 NH1 ARG A 55 -1.674 2.361 8.584 1.00 0.00 N ATOM 894 NH2 ARG A 55 -1.626 3.528 10.559 1.00 0.00 N ATOM 0 H ARG A 55 3.811 0.761 6.872 1.00 0.00 H new ATOM 0 HA ARG A 55 2.293 3.060 7.219 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.125 0.732 8.931 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.334 2.087 9.711 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.553 1.800 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.240 0.194 7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.551 -0.057 9.168 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.887 -0.049 10.168 1.00 0.00 H new ATOM 0 HE ARG A 55 0.086 1.849 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.340 1.592 8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.382 3.002 8.225 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.255 3.658 11.500 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.334 4.167 10.197 1.00 0.00 H new ATOM 908 N TYR A 56 5.061 3.058 9.041 1.00 0.00 N ATOM 909 CA TYR A 56 5.985 3.923 9.765 1.00 0.00 C ATOM 910 C TYR A 56 6.219 5.226 9.006 1.00 0.00 C ATOM 911 O TYR A 56 5.981 6.314 9.530 1.00 0.00 O ATOM 912 CB TYR A 56 7.317 3.206 9.992 1.00 0.00 C ATOM 913 CG TYR A 56 8.499 4.143 10.097 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.554 5.114 11.089 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.561 4.056 9.206 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.632 5.973 11.189 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.643 4.909 9.299 1.00 0.00 C ATOM 918 CZ TYR A 56 10.674 5.866 10.291 1.00 0.00 C ATOM 919 OH TYR A 56 11.750 6.718 10.388 1.00 0.00 O ATOM 0 H TYR A 56 5.334 2.075 9.018 1.00 0.00 H new ATOM 0 HA TYR A 56 5.539 4.161 10.731 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.251 2.615 10.905 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.489 2.508 9.172 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.740 5.199 11.794 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.540 3.308 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.659 6.723 11.965 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.461 4.827 8.598 1.00 0.00 H new ATOM 0 HH TYR A 56 12.397 6.510 9.682 1.00 0.00 H new ATOM 929 N ALA A 57 6.686 5.106 7.768 1.00 0.00 N ATOM 930 CA ALA A 57 6.951 6.273 6.935 1.00 0.00 C ATOM 931 C ALA A 57 5.727 7.179 6.855 1.00 0.00 C ATOM 932 O ALA A 57 5.825 8.392 7.050 1.00 0.00 O ATOM 933 CB ALA A 57 7.381 5.840 5.541 1.00 0.00 C ATOM 0 H ALA A 57 6.889 4.213 7.319 1.00 0.00 H new ATOM 0 HA ALA A 57 7.761 6.840 7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.575 6.721 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.288 5.239 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.588 5.249 5.083 1.00 0.00 H new ATOM 939 N LEU A 58 4.574 6.585 6.568 1.00 0.00 N ATOM 940 CA LEU A 58 3.330 7.339 6.461 1.00 0.00 C ATOM 941 C LEU A 58 3.032 8.084 7.759 1.00 0.00 C ATOM 942 O LEU A 58 3.010 9.314 7.790 1.00 0.00 O ATOM 943 CB LEU A 58 2.170 6.402 6.120 1.00 0.00 C ATOM 944 CG LEU A 58 0.765 6.973 6.316 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.328 7.750 5.084 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.225 5.860 6.626 1.00 0.00 C ATOM 0 H LEU A 58 4.475 5.583 6.405 1.00 0.00 H new ATOM 0 HA LEU A 58 3.445 8.071 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.273 6.093 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.264 5.504 6.730 1.00 0.00 H new ATOM 0 HG LEU A 58 0.787 7.658 7.163 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.674 8.149 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.022 8.572 4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.322 7.087 4.219 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.219 6.285 6.762 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.244 5.150 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.078 5.347 7.539 1.00 0.00 H new ATOM 958 N LYS A 59 2.805 7.330 8.829 1.00 0.00 N ATOM 959 CA LYS A 59 2.512 7.917 10.131 1.00 0.00 C ATOM 960 C LYS A 59 3.391 9.136 10.388 1.00 0.00 C ATOM 961 O LYS A 59 2.935 10.136 10.944 1.00 0.00 O ATOM 962 CB LYS A 59 2.720 6.882 11.239 1.00 0.00 C ATOM 963 CG LYS A 59 2.617 7.461 12.639 1.00 0.00 C ATOM 964 CD LYS A 59 3.966 7.946 13.142 1.00 0.00 C ATOM 965 CE LYS A 59 4.766 6.816 13.773 1.00 0.00 C ATOM 966 NZ LYS A 59 4.242 6.449 15.118 1.00 0.00 N ATOM 0 H LYS A 59 2.818 6.310 8.820 1.00 0.00 H new ATOM 0 HA LYS A 59 1.470 8.236 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.980 6.089 11.127 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.701 6.423 11.116 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.908 8.289 12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.225 6.705 13.319 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.531 8.375 12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.818 8.741 13.873 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.737 5.943 13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.811 7.115 13.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.923 5.827 15.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.102 7.311 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.334 5.952 15.013 1.00 0.00 H new ATOM 980 N HIS A 60 4.652 9.048 9.979 1.00 0.00 N ATOM 981 CA HIS A 60 5.595 10.146 10.163 1.00 0.00 C ATOM 982 C HIS A 60 5.379 11.230 9.112 1.00 0.00 C ATOM 983 O HIS A 60 5.536 12.418 9.389 1.00 0.00 O ATOM 984 CB HIS A 60 7.032 9.629 10.092 1.00 0.00 C ATOM 985 CG HIS A 60 7.526 9.054 11.384 1.00 0.00 C ATOM 986 ND1 HIS A 60 8.319 9.756 12.266 1.00 0.00 N ATOM 987 CD2 HIS A 60 7.334 7.835 11.941 1.00 0.00 C ATOM 988 CE1 HIS A 60 8.595 8.994 13.310 1.00 0.00 C ATOM 989 NE2 HIS A 60 8.009 7.823 13.137 1.00 0.00 N ATOM 0 H HIS A 60 5.045 8.228 9.518 1.00 0.00 H new ATOM 0 HA HIS A 60 5.421 10.580 11.148 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.097 8.866 9.316 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.689 10.446 9.792 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.757 7.023 11.523 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.197 9.280 14.160 1.00 0.00 H new ATOM 0 HE2 HIS A 60 8.051 7.037 13.786 1.00 0.00 H new ATOM 998 N GLY A 61 5.019 10.811 7.902 1.00 0.00 N ATOM 999 CA GLY A 61 4.788 11.758 6.827 1.00 0.00 C ATOM 1000 C GLY A 61 5.878 11.716 5.774 1.00 0.00 C ATOM 1001 O GLY A 61 6.327 12.758 5.296 1.00 0.00 O ATOM 0 H GLY A 61 4.883 9.833 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.827 11.545 6.359 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.725 12.764 7.241 1.00 0.00 H new ATOM 1005 N GLN A 62 6.304 10.510 5.413 1.00 0.00 N ATOM 1006 CA GLN A 62 7.349 10.338 4.411 1.00 0.00 C ATOM 1007 C GLN A 62 6.747 10.027 3.045 1.00 0.00 C ATOM 1008 O GLN A 62 7.132 10.619 2.036 1.00 0.00 O ATOM 1009 CB GLN A 62 8.304 9.218 4.828 1.00 0.00 C ATOM 1010 CG GLN A 62 9.330 9.648 5.865 1.00 0.00 C ATOM 1011 CD GLN A 62 9.951 10.994 5.549 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.525 11.190 4.477 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.838 11.932 6.482 1.00 0.00 N ATOM 0 H GLN A 62 5.942 9.638 5.799 1.00 0.00 H new ATOM 0 HA GLN A 62 7.906 11.272 4.338 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.723 8.386 5.227 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.825 8.848 3.945 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.854 9.693 6.845 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.116 8.895 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.354 11.726 7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.235 12.858 6.325 1.00 0.00 H new ATOM 1022 N LEU A 63 5.802 9.094 3.018 1.00 0.00 N ATOM 1023 CA LEU A 63 5.146 8.704 1.775 1.00 0.00 C ATOM 1024 C LEU A 63 4.632 9.927 1.023 1.00 0.00 C ATOM 1025 O LEU A 63 3.696 10.593 1.465 1.00 0.00 O ATOM 1026 CB LEU A 63 3.990 7.746 2.064 1.00 0.00 C ATOM 1027 CG LEU A 63 4.341 6.258 2.088 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.504 5.999 3.032 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.129 5.430 2.492 1.00 0.00 C ATOM 0 H LEU A 63 5.473 8.593 3.843 1.00 0.00 H new ATOM 0 HA LEU A 63 5.881 8.198 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.556 8.012 3.028 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.217 7.904 1.312 1.00 0.00 H new ATOM 0 HG LEU A 63 4.642 5.959 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.739 4.935 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.376 6.562 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.232 6.314 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.398 4.374 2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.797 5.731 3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.323 5.592 1.776 1.00 0.00 H new ATOM 1041 N LYS A 64 5.249 10.217 -0.118 1.00 0.00 N ATOM 1042 CA LYS A 64 4.853 11.357 -0.934 1.00 0.00 C ATOM 1043 C LYS A 64 3.720 10.980 -1.883 1.00 0.00 C ATOM 1044 O LYS A 64 3.050 11.849 -2.441 1.00 0.00 O ATOM 1045 CB LYS A 64 6.050 11.879 -1.734 1.00 0.00 C ATOM 1046 CG LYS A 64 6.519 10.924 -2.818 1.00 0.00 C ATOM 1047 CD LYS A 64 5.816 11.189 -4.138 1.00 0.00 C ATOM 1048 CE LYS A 64 5.940 10.004 -5.084 1.00 0.00 C ATOM 1049 NZ LYS A 64 7.284 9.944 -5.723 1.00 0.00 N ATOM 0 H LYS A 64 6.026 9.677 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 64 4.499 12.143 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.783 12.832 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.876 12.074 -1.050 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.596 11.025 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.332 9.897 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.763 11.400 -3.954 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.242 12.076 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.757 9.080 -4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.173 10.073 -5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.329 9.123 -6.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.449 10.815 -6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.014 9.852 -4.988 1.00 0.00 H new ATOM 1063 N TRP A 65 3.511 9.680 -2.060 1.00 0.00 N ATOM 1064 CA TRP A 65 2.457 9.189 -2.940 1.00 0.00 C ATOM 1065 C TRP A 65 1.152 9.002 -2.175 1.00 0.00 C ATOM 1066 O TRP A 65 0.070 9.014 -2.763 1.00 0.00 O ATOM 1067 CB TRP A 65 2.878 7.867 -3.585 1.00 0.00 C ATOM 1068 CG TRP A 65 3.541 6.924 -2.627 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.854 6.926 -2.251 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.923 5.839 -1.926 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.089 5.908 -1.358 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.920 5.227 -1.142 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.624 5.326 -1.883 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.657 4.130 -0.326 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.364 4.237 -1.074 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.376 3.648 -0.304 1.00 0.00 C ATOM 0 H TRP A 65 4.057 8.948 -1.606 1.00 0.00 H new ATOM 0 HA TRP A 65 2.295 9.932 -3.721 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.999 7.383 -4.011 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.559 8.074 -4.410 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.598 7.625 -2.604 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.988 5.694 -0.926 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.837 5.773 -2.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.436 3.676 0.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.363 3.832 -1.034 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.141 2.798 0.319 1.00 0.00 H new ATOM 1087 N PHE A 66 1.259 8.831 -0.862 1.00 0.00 N ATOM 1088 CA PHE A 66 0.086 8.642 -0.017 1.00 0.00 C ATOM 1089 C PHE A 66 -0.542 9.983 0.351 1.00 0.00 C ATOM 1090 O PHE A 66 0.151 10.994 0.469 1.00 0.00 O ATOM 1091 CB PHE A 66 0.465 7.878 1.254 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.709 7.245 1.945 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.467 7.968 2.853 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -1.054 5.928 1.688 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.548 7.388 3.490 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -2.134 5.344 2.322 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.881 6.074 3.225 1.00 0.00 C ATOM 0 H PHE A 66 2.147 8.819 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.645 8.061 -0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.188 7.103 1.001 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.959 8.561 1.945 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.210 8.995 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.472 5.351 0.984 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.132 7.962 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.394 4.317 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.724 5.618 3.723 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.859 9.984 0.529 1.00 0.00 N ATOM 1108 CA ARG A 67 -2.582 11.200 0.880 1.00 0.00 C ATOM 1109 C ARG A 67 -1.933 12.423 0.238 1.00 0.00 C ATOM 1110 O ARG A 67 -1.718 13.442 0.896 1.00 0.00 O ATOM 1111 CB ARG A 67 -2.625 11.372 2.400 1.00 0.00 C ATOM 1112 CG ARG A 67 -1.252 11.494 3.039 1.00 0.00 C ATOM 1113 CD ARG A 67 -1.292 11.143 4.518 1.00 0.00 C ATOM 1114 NE ARG A 67 -1.555 12.313 5.351 1.00 0.00 N ATOM 1115 CZ ARG A 67 -1.421 12.320 6.673 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -1.029 11.224 7.308 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -1.680 13.424 7.362 1.00 0.00 N ATOM 0 H ARG A 67 -2.447 9.156 0.436 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.600 11.109 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.208 12.261 2.640 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.146 10.521 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.551 10.835 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -0.881 12.512 2.915 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.064 10.393 4.692 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.342 10.696 4.810 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.858 13.172 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.830 10.373 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.927 11.232 8.323 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.982 14.269 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.577 13.428 8.377 1.00 0.00 H new ATOM 1131 N ASP A 68 -1.622 12.314 -1.049 1.00 0.00 N ATOM 1132 CA ASP A 68 -0.998 13.411 -1.780 1.00 0.00 C ATOM 1133 C ASP A 68 -2.054 14.314 -2.410 1.00 0.00 C ATOM 1134 O ASP A 68 -3.063 13.837 -2.928 1.00 0.00 O ATOM 1135 CB ASP A 68 -0.064 12.865 -2.861 1.00 0.00 C ATOM 1136 CG ASP A 68 0.298 13.912 -3.896 1.00 0.00 C ATOM 1137 OD1 ASP A 68 -0.620 14.418 -4.575 1.00 0.00 O ATOM 1138 OD2 ASP A 68 1.500 14.226 -4.026 1.00 0.00 O ATOM 0 H ASP A 68 -1.792 11.478 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.416 14.002 -1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.847 12.489 -2.394 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.541 12.019 -3.356 1.00 0.00 H new ATOM 1143 N ASN A 69 -1.813 15.620 -2.362 1.00 0.00 N ATOM 1144 CA ASN A 69 -2.744 16.590 -2.927 1.00 0.00 C ATOM 1145 C ASN A 69 -4.188 16.185 -2.648 1.00 0.00 C ATOM 1146 O ASN A 69 -5.049 16.276 -3.522 1.00 0.00 O ATOM 1147 CB ASN A 69 -2.522 16.723 -4.435 1.00 0.00 C ATOM 1148 CG ASN A 69 -1.123 17.200 -4.774 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -0.205 17.092 -3.961 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -0.955 17.731 -5.979 1.00 0.00 N ATOM 0 H ASN A 69 -0.981 16.031 -1.938 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.558 17.554 -2.453 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.700 15.759 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.251 17.421 -4.846 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.036 18.070 -6.263 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.745 17.800 -6.620 1.00 0.00 H new ATOM 1157 N ALA A 70 -4.445 15.737 -1.423 1.00 0.00 N ATOM 1158 CA ALA A 70 -5.785 15.320 -1.028 1.00 0.00 C ATOM 1159 C ALA A 70 -6.526 14.676 -2.194 1.00 0.00 C ATOM 1160 O ALA A 70 -7.712 14.930 -2.405 1.00 0.00 O ATOM 1161 CB ALA A 70 -6.570 16.507 -0.492 1.00 0.00 C ATOM 0 H ALA A 70 -3.743 15.654 -0.688 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.689 14.575 -0.238 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.569 16.181 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.056 16.921 0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.649 17.271 -1.266 1.00 0.00 H new ATOM 1167 N SER A 71 -5.820 13.841 -2.950 1.00 0.00 N ATOM 1168 CA SER A 71 -6.410 13.164 -4.099 1.00 0.00 C ATOM 1169 C SER A 71 -5.555 11.975 -4.527 1.00 0.00 C ATOM 1170 O SER A 71 -4.370 12.122 -4.820 1.00 0.00 O ATOM 1171 CB SER A 71 -6.568 14.140 -5.267 1.00 0.00 C ATOM 1172 OG SER A 71 -6.887 13.454 -6.465 1.00 0.00 O ATOM 0 H SER A 71 -4.838 13.617 -2.787 1.00 0.00 H new ATOM 0 HA SER A 71 -7.393 12.796 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.352 14.862 -5.038 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.645 14.703 -5.402 1.00 0.00 H new ATOM 0 HG SER A 71 -6.984 14.100 -7.196 1.00 0.00 H new ATOM 1178 N GLY A 72 -6.168 10.795 -4.560 1.00 0.00 N ATOM 1179 CA GLY A 72 -5.450 9.597 -4.952 1.00 0.00 C ATOM 1180 C GLY A 72 -5.773 9.165 -6.368 1.00 0.00 C ATOM 1181 O GLY A 72 -5.170 9.631 -7.336 1.00 0.00 O ATOM 0 H GLY A 72 -7.149 10.648 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.378 9.775 -4.865 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.696 8.788 -4.264 1.00 0.00 H new ATOM 1185 N PRO A 73 -6.746 8.251 -6.505 1.00 0.00 N ATOM 1186 CA PRO A 73 -7.170 7.735 -7.810 1.00 0.00 C ATOM 1187 C PRO A 73 -7.904 8.784 -8.638 1.00 0.00 C ATOM 1188 O PRO A 73 -8.640 9.611 -8.098 1.00 0.00 O ATOM 1189 CB PRO A 73 -8.112 6.584 -7.448 1.00 0.00 C ATOM 1190 CG PRO A 73 -8.626 6.929 -6.093 1.00 0.00 C ATOM 1191 CD PRO A 73 -7.507 7.652 -5.396 1.00 0.00 C ATOM 0 HA PRO A 73 -6.321 7.432 -8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.925 6.495 -8.169 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.586 5.629 -7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.514 7.558 -6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.912 6.032 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.884 8.411 -4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.892 6.970 -4.809 1.00 0.00 H new ATOM 1199 N SER A 74 -7.700 8.745 -9.950 1.00 0.00 N ATOM 1200 CA SER A 74 -8.341 9.695 -10.852 1.00 0.00 C ATOM 1201 C SER A 74 -8.696 9.030 -12.179 1.00 0.00 C ATOM 1202 O SER A 74 -8.076 8.044 -12.577 1.00 0.00 O ATOM 1203 CB SER A 74 -7.424 10.895 -11.099 1.00 0.00 C ATOM 1204 OG SER A 74 -6.280 10.517 -11.845 1.00 0.00 O ATOM 0 H SER A 74 -7.096 8.066 -10.413 1.00 0.00 H new ATOM 0 HA SER A 74 -9.261 10.041 -10.381 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.971 11.671 -11.634 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.115 11.323 -10.145 1.00 0.00 H new ATOM 0 HG SER A 74 -5.711 11.301 -11.991 1.00 0.00 H new ATOM 1210 N SER A 75 -9.698 9.578 -12.859 1.00 0.00 N ATOM 1211 CA SER A 75 -10.138 9.037 -14.139 1.00 0.00 C ATOM 1212 C SER A 75 -9.187 9.448 -15.259 1.00 0.00 C ATOM 1213 O SER A 75 -8.970 10.634 -15.500 1.00 0.00 O ATOM 1214 CB SER A 75 -11.556 9.515 -14.458 1.00 0.00 C ATOM 1215 OG SER A 75 -11.992 9.018 -15.712 1.00 0.00 O ATOM 0 H SER A 75 -10.220 10.396 -12.545 1.00 0.00 H new ATOM 0 HA SER A 75 -10.136 7.949 -14.065 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.239 9.185 -13.675 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.583 10.605 -14.466 1.00 0.00 H new ATOM 0 HG SER A 75 -12.901 9.336 -15.892 1.00 0.00 H new ATOM 1221 N GLY A 76 -8.622 8.456 -15.941 1.00 0.00 N ATOM 1222 CA GLY A 76 -7.701 8.733 -17.027 1.00 0.00 C ATOM 1223 C GLY A 76 -6.858 9.967 -16.772 1.00 0.00 C ATOM 1224 O GLY A 76 -7.236 11.075 -17.152 1.00 0.00 O ATOM 0 H GLY A 76 -8.786 7.466 -15.760 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -7.047 7.873 -17.172 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.263 8.866 -17.951 1.00 0.00 H new TER 1228 GLY A 76