USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 753 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 MET CE :methyl 174:sc= -0.105 (180deg=-0.0753) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.164 K(o=-0.27,f=-2.8!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.337 K(o=-0.34,f=-3.8!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -2.17! C(o=-2.9!,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -179:sc=0.000405 USER MOD Single : A 24 THR OG1 : rot 179:sc= 1.32 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.11 K(o=-0.11,f=-2) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.592 X(o=-0.59,f=-0.38) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.366 X(o=-0.37,f=-0.31) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.53) USER MOD Single : A 50 HIS : no HE2:sc= 0.0824 X(o=0.082,f=-0.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 52 HIS :FLIP no HD1:sc= -3.44! C(o=-5.8!,f=-3.4!) USER MOD Single : A 58 MET CE :methyl 162:sc= -2.07 (180deg=-3.27!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.522 K(o=-0.52,f=-3.6!) USER MOD Single : A 77 TYR OH : rot 180:sc= -7.16! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N THR A 3 72.300 -2.868 -12.951 1.00 0.00 N ATOM 37 CA THR A 3 72.107 -3.216 -14.380 1.00 0.00 C ATOM 38 C THR A 3 72.324 -1.962 -15.240 1.00 0.00 C ATOM 39 O THR A 3 72.770 -0.941 -14.756 1.00 0.00 O ATOM 40 CB THR A 3 70.696 -3.813 -14.570 1.00 0.00 C ATOM 41 OG1 THR A 3 70.804 -5.033 -15.290 1.00 0.00 O ATOM 42 CG2 THR A 3 69.772 -2.860 -15.337 1.00 0.00 C ATOM 0 HA THR A 3 72.832 -3.966 -14.696 1.00 0.00 H new ATOM 0 HB THR A 3 70.264 -3.980 -13.583 1.00 0.00 H new ATOM 0 HG1 THR A 3 69.912 -5.420 -15.414 1.00 0.00 H new ATOM 0 HG21 THR A 3 68.789 -3.318 -15.449 1.00 0.00 H new ATOM 0 HG22 THR A 3 69.676 -1.925 -14.786 1.00 0.00 H new ATOM 0 HG23 THR A 3 70.193 -2.659 -16.322 1.00 0.00 H new ATOM 50 N LYS A 4 72.023 -2.035 -16.511 1.00 0.00 N ATOM 51 CA LYS A 4 72.221 -0.850 -17.398 1.00 0.00 C ATOM 52 C LYS A 4 71.781 0.423 -16.669 1.00 0.00 C ATOM 53 O LYS A 4 72.577 1.091 -16.037 1.00 0.00 O ATOM 54 CB LYS A 4 71.401 -1.012 -18.684 1.00 0.00 C ATOM 55 CG LYS A 4 70.179 -1.896 -18.421 1.00 0.00 C ATOM 56 CD LYS A 4 69.202 -1.774 -19.591 1.00 0.00 C ATOM 57 CE LYS A 4 69.358 -2.984 -20.514 1.00 0.00 C ATOM 58 NZ LYS A 4 68.282 -2.963 -21.546 1.00 0.00 N ATOM 0 H LYS A 4 71.649 -2.864 -16.973 1.00 0.00 H new ATOM 0 HA LYS A 4 73.278 -0.775 -17.654 1.00 0.00 H new ATOM 0 HB2 LYS A 4 71.081 -0.035 -19.046 1.00 0.00 H new ATOM 0 HB3 LYS A 4 72.019 -1.455 -19.465 1.00 0.00 H new ATOM 0 HG2 LYS A 4 70.487 -2.934 -18.297 1.00 0.00 H new ATOM 0 HG3 LYS A 4 69.692 -1.595 -17.493 1.00 0.00 H new ATOM 0 HD2 LYS A 4 68.179 -1.716 -19.220 1.00 0.00 H new ATOM 0 HD3 LYS A 4 69.393 -0.854 -20.144 1.00 0.00 H new ATOM 0 HE2 LYS A 4 70.337 -2.966 -20.993 1.00 0.00 H new ATOM 0 HE3 LYS A 4 69.304 -3.906 -19.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 68.387 -3.785 -22.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 67.353 -3.000 -21.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 68.354 -2.089 -22.105 1.00 0.00 H new ATOM 72 N GLU A 5 70.525 0.772 -16.752 1.00 0.00 N ATOM 73 CA GLU A 5 70.050 2.001 -16.067 1.00 0.00 C ATOM 74 C GLU A 5 69.622 1.673 -14.644 1.00 0.00 C ATOM 75 O GLU A 5 68.920 2.425 -13.997 1.00 0.00 O ATOM 76 CB GLU A 5 68.867 2.584 -16.830 1.00 0.00 C ATOM 77 CG GLU A 5 69.299 3.855 -17.562 1.00 0.00 C ATOM 78 CD GLU A 5 68.545 3.960 -18.889 1.00 0.00 C ATOM 79 OE1 GLU A 5 67.382 3.591 -18.917 1.00 0.00 O ATOM 80 OE2 GLU A 5 69.143 4.408 -19.853 1.00 0.00 O ATOM 0 H GLU A 5 69.810 0.257 -17.265 1.00 0.00 H new ATOM 0 HA GLU A 5 70.862 2.728 -16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 5 68.487 1.853 -17.544 1.00 0.00 H new ATOM 0 HB3 GLU A 5 68.053 2.809 -16.141 1.00 0.00 H new ATOM 0 HG2 GLU A 5 69.095 4.730 -16.945 1.00 0.00 H new ATOM 0 HG3 GLU A 5 70.374 3.836 -17.743 1.00 0.00 H new ATOM 87 N GLU A 6 70.053 0.560 -14.156 1.00 0.00 N ATOM 88 CA GLU A 6 69.699 0.158 -12.771 1.00 0.00 C ATOM 89 C GLU A 6 70.729 0.713 -11.801 1.00 0.00 C ATOM 90 O GLU A 6 70.704 0.453 -10.614 1.00 0.00 O ATOM 91 CB GLU A 6 69.685 -1.361 -12.677 1.00 0.00 C ATOM 92 CG GLU A 6 68.312 -1.889 -13.093 1.00 0.00 C ATOM 93 CD GLU A 6 67.286 -1.563 -12.007 1.00 0.00 C ATOM 94 OE1 GLU A 6 67.508 -0.608 -11.280 1.00 0.00 O ATOM 95 OE2 GLU A 6 66.298 -2.272 -11.920 1.00 0.00 O ATOM 0 H GLU A 6 70.644 -0.102 -14.659 1.00 0.00 H new ATOM 0 HA GLU A 6 68.714 0.551 -12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 6 70.458 -1.782 -13.320 1.00 0.00 H new ATOM 0 HB3 GLU A 6 69.913 -1.674 -11.658 1.00 0.00 H new ATOM 0 HG2 GLU A 6 68.010 -1.440 -14.039 1.00 0.00 H new ATOM 0 HG3 GLU A 6 68.358 -2.966 -13.252 1.00 0.00 H new ATOM 102 N LYS A 7 71.629 1.476 -12.314 1.00 0.00 N ATOM 103 CA LYS A 7 72.688 2.080 -11.469 1.00 0.00 C ATOM 104 C LYS A 7 72.849 3.560 -11.821 1.00 0.00 C ATOM 105 O LYS A 7 73.157 4.377 -10.978 1.00 0.00 O ATOM 106 CB LYS A 7 74.013 1.353 -11.712 1.00 0.00 C ATOM 107 CG LYS A 7 74.491 1.624 -13.139 1.00 0.00 C ATOM 108 CD LYS A 7 75.293 2.929 -13.173 1.00 0.00 C ATOM 109 CE LYS A 7 76.698 2.654 -13.711 1.00 0.00 C ATOM 110 NZ LYS A 7 77.702 3.347 -12.853 1.00 0.00 N ATOM 0 H LYS A 7 71.683 1.716 -13.304 1.00 0.00 H new ATOM 0 HA LYS A 7 72.407 1.987 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 7 74.762 1.691 -10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 7 73.886 0.282 -11.557 1.00 0.00 H new ATOM 0 HG2 LYS A 7 75.108 0.797 -13.490 1.00 0.00 H new ATOM 0 HG3 LYS A 7 73.637 1.693 -13.813 1.00 0.00 H new ATOM 0 HD2 LYS A 7 74.788 3.661 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 7 75.353 3.357 -12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 7 76.891 1.581 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 7 76.780 3.003 -14.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 78.658 3.161 -13.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 77.520 4.371 -12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 77.629 2.993 -11.878 1.00 0.00 H new ATOM 124 N GLN A 8 72.648 3.911 -13.061 1.00 0.00 N ATOM 125 CA GLN A 8 72.796 5.338 -13.465 1.00 0.00 C ATOM 126 C GLN A 8 71.812 6.205 -12.674 1.00 0.00 C ATOM 127 O GLN A 8 72.079 7.353 -12.381 1.00 0.00 O ATOM 128 CB GLN A 8 72.506 5.475 -14.960 1.00 0.00 C ATOM 129 CG GLN A 8 73.812 5.747 -15.709 1.00 0.00 C ATOM 130 CD GLN A 8 73.900 7.233 -16.062 1.00 0.00 C ATOM 131 OE1 GLN A 8 72.948 7.968 -15.885 1.00 0.00 O ATOM 132 NE2 GLN A 8 75.008 7.708 -16.558 1.00 0.00 N ATOM 0 H GLN A 8 72.388 3.272 -13.812 1.00 0.00 H new ATOM 0 HA GLN A 8 73.814 5.668 -13.257 1.00 0.00 H new ATOM 0 HB2 GLN A 8 72.041 4.564 -15.336 1.00 0.00 H new ATOM 0 HB3 GLN A 8 71.800 6.287 -15.132 1.00 0.00 H new ATOM 0 HG2 GLN A 8 74.664 5.458 -15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 8 73.855 5.144 -16.616 1.00 0.00 H new ATOM 0 HE21 GLN A 8 75.806 7.091 -16.706 1.00 0.00 H new ATOM 0 HE22 GLN A 8 75.077 8.697 -16.798 1.00 0.00 H new ATOM 141 N LYS A 9 70.672 5.669 -12.333 1.00 0.00 N ATOM 142 CA LYS A 9 69.675 6.466 -11.573 1.00 0.00 C ATOM 143 C LYS A 9 70.057 6.502 -10.091 1.00 0.00 C ATOM 144 O LYS A 9 69.581 7.329 -9.337 1.00 0.00 O ATOM 145 CB LYS A 9 68.291 5.833 -11.727 1.00 0.00 C ATOM 146 CG LYS A 9 67.757 6.104 -13.136 1.00 0.00 C ATOM 147 CD LYS A 9 66.568 5.184 -13.417 1.00 0.00 C ATOM 148 CE LYS A 9 66.494 4.887 -14.915 1.00 0.00 C ATOM 149 NZ LYS A 9 65.143 5.250 -15.426 1.00 0.00 N ATOM 0 H LYS A 9 70.390 4.713 -12.549 1.00 0.00 H new ATOM 0 HA LYS A 9 69.658 7.483 -11.964 1.00 0.00 H new ATOM 0 HB2 LYS A 9 68.349 4.759 -11.549 1.00 0.00 H new ATOM 0 HB3 LYS A 9 67.608 6.243 -10.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 67.453 7.147 -13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 9 68.543 5.936 -13.873 1.00 0.00 H new ATOM 0 HD2 LYS A 9 66.673 4.255 -12.856 1.00 0.00 H new ATOM 0 HD3 LYS A 9 65.644 5.655 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 9 67.260 5.452 -15.447 1.00 0.00 H new ATOM 0 HE3 LYS A 9 66.692 3.831 -15.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 65.092 5.048 -16.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 64.421 4.693 -14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 64.971 6.263 -15.264 1.00 0.00 H new ATOM 163 N VAL A 10 70.905 5.608 -9.664 1.00 0.00 N ATOM 164 CA VAL A 10 71.308 5.583 -8.233 1.00 0.00 C ATOM 165 C VAL A 10 72.427 6.595 -7.980 1.00 0.00 C ATOM 166 O VAL A 10 72.458 7.257 -6.961 1.00 0.00 O ATOM 167 CB VAL A 10 71.798 4.180 -7.869 1.00 0.00 C ATOM 168 CG1 VAL A 10 71.901 4.053 -6.348 1.00 0.00 C ATOM 169 CG2 VAL A 10 70.809 3.141 -8.401 1.00 0.00 C ATOM 0 H VAL A 10 71.337 4.892 -10.248 1.00 0.00 H new ATOM 0 HA VAL A 10 70.448 5.846 -7.617 1.00 0.00 H new ATOM 0 HB VAL A 10 72.778 4.011 -8.314 1.00 0.00 H new ATOM 0 HG11 VAL A 10 72.250 3.053 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 10 72.605 4.793 -5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 10 70.921 4.222 -5.902 1.00 0.00 H new ATOM 0 HG21 VAL A 10 71.157 2.141 -8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 10 69.829 3.310 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 10 70.735 3.230 -9.485 1.00 0.00 H new ATOM 179 N ILE A 11 73.353 6.716 -8.888 1.00 0.00 N ATOM 180 CA ILE A 11 74.471 7.675 -8.685 1.00 0.00 C ATOM 181 C ILE A 11 73.985 9.092 -8.948 1.00 0.00 C ATOM 182 O ILE A 11 74.231 10.007 -8.192 1.00 0.00 O ATOM 183 CB ILE A 11 75.641 7.320 -9.617 1.00 0.00 C ATOM 184 CG1 ILE A 11 75.602 8.095 -10.951 1.00 0.00 C ATOM 185 CG2 ILE A 11 75.629 5.820 -9.903 1.00 0.00 C ATOM 186 CD1 ILE A 11 74.602 7.452 -11.904 1.00 0.00 C ATOM 0 H ILE A 11 73.384 6.192 -9.762 1.00 0.00 H new ATOM 0 HA ILE A 11 74.820 7.612 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 11 76.558 7.608 -9.103 1.00 0.00 H new ATOM 0 HG12 ILE A 11 75.326 9.134 -10.769 1.00 0.00 H new ATOM 0 HG13 ILE A 11 76.593 8.104 -11.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 76.459 5.569 -10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 11 75.731 5.270 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 11 74.688 5.549 -10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 11 74.584 8.008 -12.841 1.00 0.00 H new ATOM 0 HD12 ILE A 11 74.897 6.421 -12.099 1.00 0.00 H new ATOM 0 HD13 ILE A 11 73.609 7.467 -11.454 1.00 0.00 H new ATOM 198 N GLN A 12 73.302 9.263 -10.030 1.00 0.00 N ATOM 199 CA GLN A 12 72.775 10.613 -10.393 1.00 0.00 C ATOM 200 C GLN A 12 72.284 11.294 -9.118 1.00 0.00 C ATOM 201 O GLN A 12 72.401 12.491 -8.946 1.00 0.00 O ATOM 202 CB GLN A 12 71.613 10.469 -11.381 1.00 0.00 C ATOM 203 CG GLN A 12 70.580 9.491 -10.820 1.00 0.00 C ATOM 204 CD GLN A 12 69.235 9.721 -11.512 1.00 0.00 C ATOM 205 OE1 GLN A 12 69.207 10.283 -12.689 1.00 0.00 O flip ATOM 206 NE2 GLN A 12 68.198 9.383 -10.976 1.00 0.00 N flip ATOM 0 H GLN A 12 73.078 8.522 -10.694 1.00 0.00 H new ATOM 0 HA GLN A 12 73.560 11.208 -10.860 1.00 0.00 H new ATOM 0 HB2 GLN A 12 71.151 11.440 -11.558 1.00 0.00 H new ATOM 0 HB3 GLN A 12 71.982 10.112 -12.342 1.00 0.00 H new ATOM 0 HG2 GLN A 12 70.912 8.465 -10.977 1.00 0.00 H new ATOM 0 HG3 GLN A 12 70.477 9.631 -9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 12 68.219 8.944 -10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 12 67.306 9.539 -11.446 1.00 0.00 H new ATOM 215 N GLU A 13 71.768 10.517 -8.209 1.00 0.00 N ATOM 216 CA GLU A 13 71.300 11.075 -6.920 1.00 0.00 C ATOM 217 C GLU A 13 72.458 11.021 -5.924 1.00 0.00 C ATOM 218 O GLU A 13 72.647 11.909 -5.117 1.00 0.00 O ATOM 219 CB GLU A 13 70.125 10.247 -6.395 1.00 0.00 C ATOM 220 CG GLU A 13 68.895 11.145 -6.243 1.00 0.00 C ATOM 221 CD GLU A 13 68.295 10.958 -4.848 1.00 0.00 C ATOM 222 OE1 GLU A 13 68.719 11.658 -3.944 1.00 0.00 O ATOM 223 OE2 GLU A 13 67.422 10.117 -4.709 1.00 0.00 O ATOM 0 H GLU A 13 71.651 9.509 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 13 70.969 12.105 -7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 13 69.908 9.428 -7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 13 70.382 9.799 -5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 13 69.172 12.188 -6.394 1.00 0.00 H new ATOM 0 HG3 GLU A 13 68.155 10.898 -7.005 1.00 0.00 H new ATOM 230 N PHE A 14 73.239 9.972 -5.983 1.00 0.00 N ATOM 231 CA PHE A 14 74.388 9.832 -5.060 1.00 0.00 C ATOM 232 C PHE A 14 75.636 10.462 -5.685 1.00 0.00 C ATOM 233 O PHE A 14 76.137 11.464 -5.214 1.00 0.00 O ATOM 234 CB PHE A 14 74.643 8.348 -4.794 1.00 0.00 C ATOM 235 CG PHE A 14 73.663 7.846 -3.760 1.00 0.00 C ATOM 236 CD1 PHE A 14 72.304 7.734 -4.079 1.00 0.00 C ATOM 237 CD2 PHE A 14 74.113 7.492 -2.483 1.00 0.00 C ATOM 238 CE1 PHE A 14 71.396 7.268 -3.121 1.00 0.00 C ATOM 239 CE2 PHE A 14 73.205 7.026 -1.525 1.00 0.00 C ATOM 240 CZ PHE A 14 71.847 6.914 -1.844 1.00 0.00 C ATOM 0 H PHE A 14 73.122 9.202 -6.642 1.00 0.00 H new ATOM 0 HA PHE A 14 74.163 10.340 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 14 74.537 7.779 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 14 75.665 8.201 -4.444 1.00 0.00 H new ATOM 0 HD1 PHE A 14 71.956 8.007 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 14 75.161 7.578 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 14 70.348 7.182 -3.367 1.00 0.00 H new ATOM 0 HE2 PHE A 14 73.552 6.753 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 14 71.147 6.554 -1.105 1.00 0.00 H new ATOM 250 N ALA A 15 76.144 9.885 -6.740 1.00 0.00 N ATOM 251 CA ALA A 15 77.358 10.455 -7.386 1.00 0.00 C ATOM 252 C ALA A 15 77.033 11.829 -7.968 1.00 0.00 C ATOM 253 O ALA A 15 76.169 11.968 -8.811 1.00 0.00 O ATOM 254 CB ALA A 15 77.824 9.534 -8.512 1.00 0.00 C ATOM 0 H ALA A 15 75.771 9.045 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 15 78.147 10.549 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 15 78.713 9.955 -8.982 1.00 0.00 H new ATOM 0 HB2 ALA A 15 78.060 8.551 -8.104 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.032 9.438 -9.255 1.00 0.00 H new ATOM 260 N ARG A 16 77.726 12.844 -7.538 1.00 0.00 N ATOM 261 CA ARG A 16 77.459 14.202 -8.083 1.00 0.00 C ATOM 262 C ARG A 16 78.408 14.459 -9.247 1.00 0.00 C ATOM 263 O ARG A 16 78.807 15.577 -9.509 1.00 0.00 O ATOM 264 CB ARG A 16 77.681 15.251 -6.992 1.00 0.00 C ATOM 265 CG ARG A 16 78.937 14.898 -6.193 1.00 0.00 C ATOM 266 CD ARG A 16 78.534 14.237 -4.874 1.00 0.00 C ATOM 267 NE ARG A 16 78.398 15.281 -3.819 1.00 0.00 N ATOM 268 CZ ARG A 16 78.971 15.115 -2.658 1.00 0.00 C ATOM 269 NH1 ARG A 16 78.438 14.316 -1.774 1.00 0.00 N ATOM 270 NH2 ARG A 16 80.078 15.749 -2.381 1.00 0.00 N ATOM 0 H ARG A 16 78.463 12.793 -6.835 1.00 0.00 H new ATOM 0 HA ARG A 16 76.427 14.266 -8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 16 77.787 16.239 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 16 76.816 15.292 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 16 79.571 14.225 -6.770 1.00 0.00 H new ATOM 0 HG3 ARG A 16 79.521 15.797 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 16 77.592 13.702 -4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 16 79.283 13.502 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 16 77.857 16.126 -4.004 1.00 0.00 H new ATOM 0 HH11 ARG A 16 77.573 13.821 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 16 78.887 14.187 -0.867 1.00 0.00 H new ATOM 0 HH21 ARG A 16 80.495 16.374 -3.072 1.00 0.00 H new ATOM 0 HH22 ARG A 16 80.526 15.620 -1.474 1.00 0.00 H new ATOM 284 N PHE A 17 78.778 13.423 -9.943 1.00 0.00 N ATOM 285 CA PHE A 17 79.708 13.585 -11.091 1.00 0.00 C ATOM 286 C PHE A 17 79.723 12.290 -11.901 1.00 0.00 C ATOM 287 O PHE A 17 79.216 11.279 -11.455 1.00 0.00 O ATOM 288 CB PHE A 17 81.115 13.868 -10.554 1.00 0.00 C ATOM 289 CG PHE A 17 81.354 15.360 -10.508 1.00 0.00 C ATOM 290 CD1 PHE A 17 81.122 16.145 -11.644 1.00 0.00 C ATOM 291 CD2 PHE A 17 81.812 15.958 -9.328 1.00 0.00 C ATOM 292 CE1 PHE A 17 81.345 17.526 -11.599 1.00 0.00 C ATOM 293 CE2 PHE A 17 82.036 17.339 -9.282 1.00 0.00 C ATOM 294 CZ PHE A 17 81.802 18.123 -10.418 1.00 0.00 C ATOM 0 H PHE A 17 78.474 12.466 -9.765 1.00 0.00 H new ATOM 0 HA PHE A 17 79.385 14.411 -11.725 1.00 0.00 H new ATOM 0 HB2 PHE A 17 81.226 13.442 -9.557 1.00 0.00 H new ATOM 0 HB3 PHE A 17 81.860 13.390 -11.190 1.00 0.00 H new ATOM 0 HD1 PHE A 17 80.771 15.685 -12.556 1.00 0.00 H new ATOM 0 HD2 PHE A 17 81.993 15.353 -8.452 1.00 0.00 H new ATOM 0 HE1 PHE A 17 81.165 18.131 -12.475 1.00 0.00 H new ATOM 0 HE2 PHE A 17 82.389 17.799 -8.371 1.00 0.00 H new ATOM 0 HZ PHE A 17 81.974 19.189 -10.383 1.00 0.00 H new ATOM 304 N PRO A 18 80.321 12.352 -13.059 1.00 0.00 N ATOM 305 CA PRO A 18 80.439 11.185 -13.946 1.00 0.00 C ATOM 306 C PRO A 18 81.498 10.224 -13.395 1.00 0.00 C ATOM 307 O PRO A 18 81.782 9.194 -13.974 1.00 0.00 O ATOM 308 CB PRO A 18 80.865 11.790 -15.286 1.00 0.00 C ATOM 309 CG PRO A 18 81.495 13.164 -14.960 1.00 0.00 C ATOM 310 CD PRO A 18 80.937 13.586 -13.591 1.00 0.00 C ATOM 0 HA PRO A 18 79.521 10.605 -14.036 1.00 0.00 H new ATOM 0 HB2 PRO A 18 81.581 11.144 -15.794 1.00 0.00 H new ATOM 0 HB3 PRO A 18 80.009 11.903 -15.952 1.00 0.00 H new ATOM 0 HG2 PRO A 18 82.582 13.095 -14.931 1.00 0.00 H new ATOM 0 HG3 PRO A 18 81.242 13.898 -15.725 1.00 0.00 H new ATOM 0 HD2 PRO A 18 81.726 13.953 -12.935 1.00 0.00 H new ATOM 0 HD3 PRO A 18 80.205 14.387 -13.688 1.00 0.00 H new ATOM 318 N GLY A 19 82.074 10.555 -12.269 1.00 0.00 N ATOM 319 CA GLY A 19 83.103 9.672 -11.661 1.00 0.00 C ATOM 320 C GLY A 19 82.811 9.516 -10.165 1.00 0.00 C ATOM 321 O GLY A 19 83.534 8.852 -9.449 1.00 0.00 O ATOM 0 H GLY A 19 81.872 11.406 -11.744 1.00 0.00 H new ATOM 0 HA2 GLY A 19 83.097 8.697 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 19 84.096 10.096 -11.808 1.00 0.00 H new ATOM 325 N ASP A 20 81.751 10.122 -9.683 1.00 0.00 N ATOM 326 CA ASP A 20 81.420 9.999 -8.240 1.00 0.00 C ATOM 327 C ASP A 20 80.509 8.795 -8.027 1.00 0.00 C ATOM 328 O ASP A 20 79.849 8.660 -7.017 1.00 0.00 O ATOM 329 CB ASP A 20 80.725 11.272 -7.752 1.00 0.00 C ATOM 330 CG ASP A 20 80.790 11.334 -6.225 1.00 0.00 C ATOM 331 OD1 ASP A 20 79.997 10.658 -5.591 1.00 0.00 O ATOM 332 OD2 ASP A 20 81.632 12.056 -5.718 1.00 0.00 O ATOM 0 H ASP A 20 81.107 10.693 -10.230 1.00 0.00 H new ATOM 0 HA ASP A 20 82.339 9.860 -7.671 1.00 0.00 H new ATOM 0 HB2 ASP A 20 81.206 12.150 -8.183 1.00 0.00 H new ATOM 0 HB3 ASP A 20 79.687 11.282 -8.083 1.00 0.00 H new ATOM 337 N THR A 21 80.494 7.918 -8.977 1.00 0.00 N ATOM 338 CA THR A 21 79.655 6.692 -8.869 1.00 0.00 C ATOM 339 C THR A 21 80.482 5.599 -8.198 1.00 0.00 C ATOM 340 O THR A 21 79.956 4.669 -7.618 1.00 0.00 O ATOM 341 CB THR A 21 79.241 6.231 -10.268 1.00 0.00 C ATOM 342 OG1 THR A 21 80.339 5.584 -10.896 1.00 0.00 O ATOM 343 CG2 THR A 21 78.816 7.441 -11.100 1.00 0.00 C ATOM 0 H THR A 21 81.033 7.993 -9.840 1.00 0.00 H new ATOM 0 HA THR A 21 78.760 6.900 -8.282 1.00 0.00 H new ATOM 0 HB THR A 21 78.406 5.535 -10.189 1.00 0.00 H new ATOM 0 HG1 THR A 21 80.075 5.287 -11.792 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.521 7.112 -12.096 1.00 0.00 H new ATOM 0 HG22 THR A 21 77.974 7.937 -10.617 1.00 0.00 H new ATOM 0 HG23 THR A 21 79.650 8.138 -11.180 1.00 0.00 H new ATOM 351 N GLY A 22 81.778 5.715 -8.265 1.00 0.00 N ATOM 352 CA GLY A 22 82.654 4.698 -7.624 1.00 0.00 C ATOM 353 C GLY A 22 83.188 5.259 -6.305 1.00 0.00 C ATOM 354 O GLY A 22 83.906 4.597 -5.582 1.00 0.00 O ATOM 0 H GLY A 22 82.270 6.473 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 22 82.095 3.780 -7.443 1.00 0.00 H new ATOM 0 HA3 GLY A 22 83.481 4.442 -8.286 1.00 0.00 H new ATOM 358 N SER A 23 82.842 6.480 -5.986 1.00 0.00 N ATOM 359 CA SER A 23 83.330 7.082 -4.713 1.00 0.00 C ATOM 360 C SER A 23 82.999 6.145 -3.550 1.00 0.00 C ATOM 361 O SER A 23 82.543 5.035 -3.745 1.00 0.00 O ATOM 362 CB SER A 23 82.647 8.432 -4.492 1.00 0.00 C ATOM 363 OG SER A 23 83.462 9.464 -5.031 1.00 0.00 O ATOM 0 H SER A 23 82.244 7.083 -6.551 1.00 0.00 H new ATOM 0 HA SER A 23 84.409 7.227 -4.768 1.00 0.00 H new ATOM 0 HB2 SER A 23 81.667 8.439 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 23 82.484 8.600 -3.427 1.00 0.00 H new ATOM 0 HG SER A 23 83.034 10.332 -4.878 1.00 0.00 H new ATOM 369 N THR A 24 83.223 6.579 -2.341 1.00 0.00 N ATOM 370 CA THR A 24 82.920 5.708 -1.172 1.00 0.00 C ATOM 371 C THR A 24 81.481 5.951 -0.712 1.00 0.00 C ATOM 372 O THR A 24 80.808 5.049 -0.257 1.00 0.00 O ATOM 373 CB THR A 24 83.885 6.032 -0.030 1.00 0.00 C ATOM 374 OG1 THR A 24 85.172 5.518 -0.342 1.00 0.00 O ATOM 375 CG2 THR A 24 83.379 5.394 1.265 1.00 0.00 C ATOM 0 H THR A 24 83.602 7.498 -2.112 1.00 0.00 H new ATOM 0 HA THR A 24 83.036 4.663 -1.459 1.00 0.00 H new ATOM 0 HB THR A 24 83.946 7.112 0.100 1.00 0.00 H new ATOM 0 HG1 THR A 24 85.795 5.734 0.383 1.00 0.00 H new ATOM 0 HG21 THR A 24 84.067 5.626 2.078 1.00 0.00 H new ATOM 0 HG22 THR A 24 82.391 5.788 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 24 83.318 4.313 1.138 1.00 0.00 H new ATOM 383 N GLU A 25 81.006 7.161 -0.819 1.00 0.00 N ATOM 384 CA GLU A 25 79.615 7.455 -0.385 1.00 0.00 C ATOM 385 C GLU A 25 78.629 6.715 -1.292 1.00 0.00 C ATOM 386 O GLU A 25 77.842 5.905 -0.842 1.00 0.00 O ATOM 387 CB GLU A 25 79.368 8.959 -0.487 1.00 0.00 C ATOM 388 CG GLU A 25 80.514 9.715 0.190 1.00 0.00 C ATOM 389 CD GLU A 25 81.473 10.250 -0.875 1.00 0.00 C ATOM 390 OE1 GLU A 25 81.199 10.046 -2.046 1.00 0.00 O ATOM 391 OE2 GLU A 25 82.464 10.854 -0.501 1.00 0.00 O ATOM 0 H GLU A 25 81.523 7.959 -1.189 1.00 0.00 H new ATOM 0 HA GLU A 25 79.474 7.127 0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 25 79.292 9.255 -1.533 1.00 0.00 H new ATOM 0 HB3 GLU A 25 78.420 9.215 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 25 80.119 10.538 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 25 81.046 9.054 0.874 1.00 0.00 H new ATOM 398 N VAL A 26 78.667 6.989 -2.566 1.00 0.00 N ATOM 399 CA VAL A 26 77.737 6.309 -3.508 1.00 0.00 C ATOM 400 C VAL A 26 77.786 4.800 -3.274 1.00 0.00 C ATOM 401 O VAL A 26 76.798 4.109 -3.419 1.00 0.00 O ATOM 402 CB VAL A 26 78.157 6.617 -4.947 1.00 0.00 C ATOM 403 CG1 VAL A 26 77.186 5.948 -5.919 1.00 0.00 C ATOM 404 CG2 VAL A 26 78.137 8.132 -5.168 1.00 0.00 C ATOM 0 H VAL A 26 79.305 7.658 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 26 76.722 6.668 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 26 79.163 6.235 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 26 77.487 6.169 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 26 77.199 4.870 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 76.179 6.328 -5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 26 78.436 8.354 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 26 77.130 8.512 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 26 78.830 8.610 -4.476 1.00 0.00 H new ATOM 414 N GLN A 27 78.926 4.281 -2.907 1.00 0.00 N ATOM 415 CA GLN A 27 79.025 2.819 -2.663 1.00 0.00 C ATOM 416 C GLN A 27 78.234 2.471 -1.407 1.00 0.00 C ATOM 417 O GLN A 27 77.454 1.544 -1.395 1.00 0.00 O ATOM 418 CB GLN A 27 80.491 2.421 -2.479 1.00 0.00 C ATOM 419 CG GLN A 27 81.173 2.340 -3.845 1.00 0.00 C ATOM 420 CD GLN A 27 82.530 1.648 -3.696 1.00 0.00 C ATOM 421 OE1 GLN A 27 83.412 2.153 -3.031 1.00 0.00 O ATOM 422 NE2 GLN A 27 82.734 0.504 -4.290 1.00 0.00 N ATOM 0 H GLN A 27 79.789 4.806 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 27 78.617 2.277 -3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 27 81.000 3.150 -1.849 1.00 0.00 H new ATOM 0 HB3 GLN A 27 80.557 1.459 -1.970 1.00 0.00 H new ATOM 0 HG2 GLN A 27 80.546 1.788 -4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 27 81.306 3.340 -4.257 1.00 0.00 H new ATOM 0 HE21 GLN A 27 81.993 0.080 -4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 27 83.634 0.034 -4.196 1.00 0.00 H new ATOM 431 N VAL A 28 78.413 3.214 -0.354 1.00 0.00 N ATOM 432 CA VAL A 28 77.646 2.923 0.884 1.00 0.00 C ATOM 433 C VAL A 28 76.182 2.745 0.493 1.00 0.00 C ATOM 434 O VAL A 28 75.463 1.962 1.074 1.00 0.00 O ATOM 435 CB VAL A 28 77.793 4.095 1.859 1.00 0.00 C ATOM 436 CG1 VAL A 28 76.786 3.954 3.000 1.00 0.00 C ATOM 437 CG2 VAL A 28 79.213 4.101 2.434 1.00 0.00 C ATOM 0 H VAL A 28 79.054 4.006 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 28 78.017 2.020 1.369 1.00 0.00 H new ATOM 0 HB VAL A 28 77.605 5.028 1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 28 76.897 4.791 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 28 75.774 3.950 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 28 76.967 3.020 3.532 1.00 0.00 H new ATOM 0 HG21 VAL A 28 79.321 4.934 3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 28 79.397 3.164 2.960 1.00 0.00 H new ATOM 0 HG23 VAL A 28 79.933 4.209 1.623 1.00 0.00 H new ATOM 447 N ALA A 29 75.738 3.450 -0.511 1.00 0.00 N ATOM 448 CA ALA A 29 74.330 3.293 -0.950 1.00 0.00 C ATOM 449 C ALA A 29 74.174 1.907 -1.565 1.00 0.00 C ATOM 450 O ALA A 29 73.240 1.187 -1.273 1.00 0.00 O ATOM 451 CB ALA A 29 73.982 4.361 -1.986 1.00 0.00 C ATOM 0 H ALA A 29 76.289 4.124 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 29 73.659 3.406 -0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 29 72.946 4.237 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 29 74.112 5.350 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 29 74.640 4.258 -2.849 1.00 0.00 H new ATOM 457 N LEU A 30 75.095 1.515 -2.403 1.00 0.00 N ATOM 458 CA LEU A 30 75.006 0.170 -3.014 1.00 0.00 C ATOM 459 C LEU A 30 75.185 -0.878 -1.910 1.00 0.00 C ATOM 460 O LEU A 30 74.917 -2.048 -2.097 1.00 0.00 O ATOM 461 CB LEU A 30 76.094 0.022 -4.091 1.00 0.00 C ATOM 462 CG LEU A 30 77.391 -0.526 -3.483 1.00 0.00 C ATOM 463 CD1 LEU A 30 77.411 -2.050 -3.613 1.00 0.00 C ATOM 464 CD2 LEU A 30 78.592 0.064 -4.227 1.00 0.00 C ATOM 0 H LEU A 30 75.902 2.071 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 30 74.035 0.029 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 30 75.745 -0.647 -4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 30 76.285 0.989 -4.556 1.00 0.00 H new ATOM 0 HG LEU A 30 77.443 -0.250 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 30 78.333 -2.440 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 30 76.556 -2.471 -3.085 1.00 0.00 H new ATOM 0 HD13 LEU A 30 77.359 -2.326 -4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 30 79.514 -0.325 -3.795 1.00 0.00 H new ATOM 0 HD22 LEU A 30 78.539 -0.212 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 30 78.579 1.150 -4.136 1.00 0.00 H new ATOM 476 N LEU A 31 75.638 -0.457 -0.756 1.00 0.00 N ATOM 477 CA LEU A 31 75.837 -1.413 0.359 1.00 0.00 C ATOM 478 C LEU A 31 74.454 -1.850 0.854 1.00 0.00 C ATOM 479 O LEU A 31 74.262 -2.953 1.323 1.00 0.00 O ATOM 480 CB LEU A 31 76.630 -0.720 1.489 1.00 0.00 C ATOM 481 CG LEU A 31 75.672 -0.134 2.526 1.00 0.00 C ATOM 482 CD1 LEU A 31 75.269 -1.228 3.516 1.00 0.00 C ATOM 483 CD2 LEU A 31 76.352 1.007 3.283 1.00 0.00 C ATOM 0 H LEU A 31 75.877 0.512 -0.544 1.00 0.00 H new ATOM 0 HA LEU A 31 76.402 -2.286 0.033 1.00 0.00 H new ATOM 0 HB2 LEU A 31 77.299 -1.437 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 31 77.254 0.071 1.073 1.00 0.00 H new ATOM 0 HG LEU A 31 74.788 0.252 2.018 1.00 0.00 H new ATOM 0 HD11 LEU A 31 74.586 -0.814 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 31 74.776 -2.039 2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 31 76.158 -1.611 4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 31 75.661 1.418 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 31 77.240 0.629 3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 31 76.640 1.789 2.580 1.00 0.00 H new ATOM 495 N THR A 32 73.496 -0.969 0.749 1.00 0.00 N ATOM 496 CA THR A 32 72.118 -1.287 1.206 1.00 0.00 C ATOM 497 C THR A 32 71.471 -2.275 0.229 1.00 0.00 C ATOM 498 O THR A 32 70.852 -3.243 0.624 1.00 0.00 O ATOM 499 CB THR A 32 71.306 0.020 1.274 1.00 0.00 C ATOM 500 OG1 THR A 32 70.339 -0.081 2.310 1.00 0.00 O ATOM 501 CG2 THR A 32 70.600 0.292 -0.058 1.00 0.00 C ATOM 0 H THR A 32 73.614 -0.033 0.361 1.00 0.00 H new ATOM 0 HA THR A 32 72.142 -1.746 2.195 1.00 0.00 H new ATOM 0 HB THR A 32 71.989 0.845 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 32 69.822 0.750 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 70.033 1.220 0.014 1.00 0.00 H new ATOM 0 HG22 THR A 32 71.342 0.381 -0.852 1.00 0.00 H new ATOM 0 HG23 THR A 32 69.922 -0.531 -0.285 1.00 0.00 H new ATOM 509 N LEU A 33 71.611 -2.032 -1.044 1.00 0.00 N ATOM 510 CA LEU A 33 71.007 -2.950 -2.051 1.00 0.00 C ATOM 511 C LEU A 33 71.481 -4.382 -1.789 1.00 0.00 C ATOM 512 O LEU A 33 70.691 -5.270 -1.536 1.00 0.00 O ATOM 513 CB LEU A 33 71.435 -2.519 -3.454 1.00 0.00 C ATOM 514 CG LEU A 33 70.266 -1.832 -4.159 1.00 0.00 C ATOM 515 CD1 LEU A 33 69.887 -0.558 -3.401 1.00 0.00 C ATOM 516 CD2 LEU A 33 70.675 -1.470 -5.588 1.00 0.00 C ATOM 0 H LEU A 33 72.118 -1.236 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 33 69.921 -2.909 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.286 -1.840 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 33 71.760 -3.386 -4.028 1.00 0.00 H new ATOM 0 HG LEU A 33 69.411 -2.507 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.053 -0.069 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 33 69.596 -0.814 -2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.742 0.118 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 33 69.842 -0.980 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.531 -0.795 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 33 70.944 -2.377 -6.130 1.00 0.00 H new ATOM 528 N ARG A 34 72.763 -4.614 -1.853 1.00 0.00 N ATOM 529 CA ARG A 34 73.289 -5.989 -1.613 1.00 0.00 C ATOM 530 C ARG A 34 72.756 -6.521 -0.279 1.00 0.00 C ATOM 531 O ARG A 34 72.738 -7.712 -0.040 1.00 0.00 O ATOM 532 CB ARG A 34 74.818 -5.947 -1.567 1.00 0.00 C ATOM 533 CG ARG A 34 75.374 -7.360 -1.750 1.00 0.00 C ATOM 534 CD ARG A 34 75.981 -7.494 -3.148 1.00 0.00 C ATOM 535 NE ARG A 34 76.134 -8.936 -3.486 1.00 0.00 N ATOM 536 CZ ARG A 34 75.358 -9.482 -4.382 1.00 0.00 C ATOM 537 NH1 ARG A 34 74.062 -9.374 -4.276 1.00 0.00 N ATOM 538 NH2 ARG A 34 75.879 -10.135 -5.385 1.00 0.00 N ATOM 0 H ARG A 34 73.471 -3.910 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 34 72.963 -6.645 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 34 75.198 -5.291 -2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 34 75.152 -5.534 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 34 76.131 -7.565 -0.993 1.00 0.00 H new ATOM 0 HG3 ARG A 34 74.580 -8.095 -1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 34 75.342 -7.003 -3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 34 76.950 -6.996 -3.185 1.00 0.00 H new ATOM 0 HE ARG A 34 76.845 -9.497 -3.017 1.00 0.00 H new ATOM 0 HH11 ARG A 34 73.655 -8.863 -3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 34 73.456 -9.801 -4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 34 76.892 -10.218 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 34 75.273 -10.562 -6.086 1.00 0.00 H new ATOM 552 N ILE A 35 72.325 -5.650 0.590 1.00 0.00 N ATOM 553 CA ILE A 35 71.798 -6.094 1.899 1.00 0.00 C ATOM 554 C ILE A 35 70.406 -6.697 1.695 1.00 0.00 C ATOM 555 O ILE A 35 70.116 -7.793 2.129 1.00 0.00 O ATOM 556 CB ILE A 35 71.743 -4.866 2.826 1.00 0.00 C ATOM 557 CG1 ILE A 35 72.792 -5.016 3.924 1.00 0.00 C ATOM 558 CG2 ILE A 35 70.361 -4.707 3.462 1.00 0.00 C ATOM 559 CD1 ILE A 35 74.091 -4.351 3.470 1.00 0.00 C ATOM 0 H ILE A 35 72.318 -4.641 0.443 1.00 0.00 H new ATOM 0 HA ILE A 35 72.435 -6.855 2.349 1.00 0.00 H new ATOM 0 HB ILE A 35 71.945 -3.978 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 72.438 -4.558 4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 35 72.964 -6.071 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 35 70.357 -3.831 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 35 69.612 -4.583 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 35 70.127 -5.594 4.050 1.00 0.00 H new ATOM 0 HD11 ILE A 35 74.845 -4.455 4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 35 74.445 -4.830 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 35 73.911 -3.293 3.278 1.00 0.00 H new ATOM 571 N ASN A 36 69.544 -5.968 1.048 1.00 0.00 N ATOM 572 CA ASN A 36 68.161 -6.468 0.813 1.00 0.00 C ATOM 573 C ASN A 36 68.200 -7.746 -0.032 1.00 0.00 C ATOM 574 O ASN A 36 67.422 -8.655 0.172 1.00 0.00 O ATOM 575 CB ASN A 36 67.350 -5.398 0.079 1.00 0.00 C ATOM 576 CG ASN A 36 67.201 -4.167 0.973 1.00 0.00 C ATOM 577 OD1 ASN A 36 67.226 -4.275 2.184 1.00 0.00 O ATOM 578 ND2 ASN A 36 67.045 -2.994 0.426 1.00 0.00 N ATOM 0 H ASN A 36 69.738 -5.041 0.669 1.00 0.00 H new ATOM 0 HA ASN A 36 67.695 -6.689 1.773 1.00 0.00 H new ATOM 0 HB2 ASN A 36 67.846 -5.126 -0.853 1.00 0.00 H new ATOM 0 HB3 ASN A 36 66.368 -5.789 -0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 36 66.944 -2.167 1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 36 67.024 -2.904 -0.590 1.00 0.00 H new ATOM 585 N ARG A 37 69.094 -7.824 -0.982 1.00 0.00 N ATOM 586 CA ARG A 37 69.163 -9.044 -1.832 1.00 0.00 C ATOM 587 C ARG A 37 69.999 -10.118 -1.143 1.00 0.00 C ATOM 588 O ARG A 37 70.333 -11.135 -1.717 1.00 0.00 O ATOM 589 CB ARG A 37 69.782 -8.694 -3.184 1.00 0.00 C ATOM 590 CG ARG A 37 68.981 -9.361 -4.303 1.00 0.00 C ATOM 591 CD ARG A 37 69.736 -10.591 -4.807 1.00 0.00 C ATOM 592 NE ARG A 37 70.843 -10.160 -5.706 1.00 0.00 N ATOM 593 CZ ARG A 37 71.214 -10.925 -6.696 1.00 0.00 C ATOM 594 NH1 ARG A 37 72.014 -11.933 -6.477 1.00 0.00 N ATOM 595 NH2 ARG A 37 70.787 -10.681 -7.904 1.00 0.00 N ATOM 0 H ARG A 37 69.776 -7.098 -1.204 1.00 0.00 H new ATOM 0 HA ARG A 37 68.154 -9.427 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 37 69.789 -7.613 -3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 37 70.819 -9.027 -3.217 1.00 0.00 H new ATOM 0 HG2 ARG A 37 67.996 -9.651 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 37 68.823 -8.658 -5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 37 70.136 -11.156 -3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 37 69.056 -11.254 -5.342 1.00 0.00 H new ATOM 0 HE ARG A 37 71.311 -9.267 -5.548 1.00 0.00 H new ATOM 0 HH11 ARG A 37 72.349 -12.122 -5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 37 72.304 -12.531 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 37 70.163 -9.892 -8.075 1.00 0.00 H new ATOM 0 HH22 ARG A 37 71.077 -11.279 -8.678 1.00 0.00 H new ATOM 609 N LEU A 38 70.321 -9.893 0.085 1.00 0.00 N ATOM 610 CA LEU A 38 71.121 -10.877 0.855 1.00 0.00 C ATOM 611 C LEU A 38 70.174 -11.828 1.587 1.00 0.00 C ATOM 612 O LEU A 38 70.396 -13.021 1.650 1.00 0.00 O ATOM 613 CB LEU A 38 71.995 -10.139 1.873 1.00 0.00 C ATOM 614 CG LEU A 38 73.432 -10.656 1.788 1.00 0.00 C ATOM 615 CD1 LEU A 38 73.451 -12.160 2.068 1.00 0.00 C ATOM 616 CD2 LEU A 38 73.985 -10.393 0.386 1.00 0.00 C ATOM 0 H LEU A 38 70.061 -9.054 0.603 1.00 0.00 H new ATOM 0 HA LEU A 38 71.759 -11.445 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.972 -9.067 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.603 -10.288 2.879 1.00 0.00 H new ATOM 0 HG LEU A 38 74.048 -10.141 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.475 -12.528 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 38 73.056 -12.349 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 38 72.836 -12.675 1.330 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.009 -10.761 0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 38 73.369 -10.909 -0.351 1.00 0.00 H new ATOM 0 HD23 LEU A 38 73.971 -9.322 0.185 1.00 0.00 H new ATOM 628 N SER A 39 69.119 -11.300 2.145 1.00 0.00 N ATOM 629 CA SER A 39 68.148 -12.156 2.882 1.00 0.00 C ATOM 630 C SER A 39 67.358 -13.012 1.890 1.00 0.00 C ATOM 631 O SER A 39 66.756 -14.003 2.253 1.00 0.00 O ATOM 632 CB SER A 39 67.185 -11.264 3.666 1.00 0.00 C ATOM 633 OG SER A 39 66.332 -12.077 4.460 1.00 0.00 O ATOM 0 H SER A 39 68.887 -10.307 2.122 1.00 0.00 H new ATOM 0 HA SER A 39 68.687 -12.808 3.569 1.00 0.00 H new ATOM 0 HB2 SER A 39 67.744 -10.575 4.300 1.00 0.00 H new ATOM 0 HB3 SER A 39 66.593 -10.657 2.980 1.00 0.00 H new ATOM 0 HG SER A 39 65.714 -11.508 4.965 1.00 0.00 H new ATOM 639 N GLU A 40 67.353 -12.639 0.639 1.00 0.00 N ATOM 640 CA GLU A 40 66.601 -13.431 -0.371 1.00 0.00 C ATOM 641 C GLU A 40 67.518 -14.482 -0.982 1.00 0.00 C ATOM 642 O GLU A 40 67.282 -14.990 -2.061 1.00 0.00 O ATOM 643 CB GLU A 40 66.098 -12.503 -1.469 1.00 0.00 C ATOM 644 CG GLU A 40 64.568 -12.533 -1.508 1.00 0.00 C ATOM 645 CD GLU A 40 64.013 -11.370 -0.682 1.00 0.00 C ATOM 646 OE1 GLU A 40 64.592 -11.073 0.350 1.00 0.00 O ATOM 647 OE2 GLU A 40 63.018 -10.798 -1.096 1.00 0.00 O ATOM 0 H GLU A 40 67.838 -11.819 0.274 1.00 0.00 H new ATOM 0 HA GLU A 40 65.756 -13.922 0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 40 66.447 -11.486 -1.288 1.00 0.00 H new ATOM 0 HB3 GLU A 40 66.502 -12.812 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 40 64.218 -12.461 -2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 40 64.202 -13.481 -1.113 1.00 0.00 H new ATOM 654 N HIS A 41 68.559 -14.800 -0.292 1.00 0.00 N ATOM 655 CA HIS A 41 69.524 -15.812 -0.795 1.00 0.00 C ATOM 656 C HIS A 41 68.978 -17.218 -0.537 1.00 0.00 C ATOM 657 O HIS A 41 68.528 -17.897 -1.439 1.00 0.00 O ATOM 658 CB HIS A 41 70.861 -15.639 -0.072 1.00 0.00 C ATOM 659 CG HIS A 41 71.886 -15.113 -1.038 1.00 0.00 C ATOM 660 ND1 HIS A 41 73.240 -15.093 -0.740 1.00 0.00 N ATOM 661 CD2 HIS A 41 71.772 -14.582 -2.298 1.00 0.00 C ATOM 662 CE1 HIS A 41 73.881 -14.566 -1.801 1.00 0.00 C ATOM 663 NE2 HIS A 41 73.031 -14.237 -2.779 1.00 0.00 N ATOM 0 H HIS A 41 68.793 -14.399 0.616 1.00 0.00 H new ATOM 0 HA HIS A 41 69.669 -15.676 -1.867 1.00 0.00 H new ATOM 0 HB2 HIS A 41 70.748 -14.951 0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 41 71.190 -16.593 0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 41 70.844 -14.451 -2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 41 74.951 -14.426 -1.855 1.00 0.00 H new ATOM 0 HE2 HIS A 41 73.257 -13.822 -3.683 1.00 0.00 H new ATOM 671 N LEU A 42 69.021 -17.659 0.688 1.00 0.00 N ATOM 672 CA LEU A 42 68.514 -19.016 1.018 1.00 0.00 C ATOM 673 C LEU A 42 66.988 -19.048 0.887 1.00 0.00 C ATOM 674 O LEU A 42 66.366 -20.082 1.026 1.00 0.00 O ATOM 675 CB LEU A 42 68.902 -19.355 2.454 1.00 0.00 C ATOM 676 CG LEU A 42 70.377 -19.760 2.507 1.00 0.00 C ATOM 677 CD1 LEU A 42 71.253 -18.509 2.419 1.00 0.00 C ATOM 678 CD2 LEU A 42 70.657 -20.487 3.823 1.00 0.00 C ATOM 0 H LEU A 42 69.389 -17.132 1.480 1.00 0.00 H new ATOM 0 HA LEU A 42 68.948 -19.743 0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 42 68.727 -18.495 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 42 68.278 -20.167 2.828 1.00 0.00 H new ATOM 0 HG LEU A 42 70.603 -20.421 1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 42 72.304 -18.797 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 71.053 -17.990 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 42 71.028 -17.848 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 42 71.707 -20.776 3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 42 70.431 -19.825 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 42 70.033 -21.378 3.886 1.00 0.00 H new ATOM 690 N LYS A 43 66.379 -17.921 0.619 1.00 0.00 N ATOM 691 CA LYS A 43 64.894 -17.888 0.480 1.00 0.00 C ATOM 692 C LYS A 43 64.491 -18.277 -0.940 1.00 0.00 C ATOM 693 O LYS A 43 63.387 -18.031 -1.385 1.00 0.00 O ATOM 694 CB LYS A 43 64.385 -16.484 0.783 1.00 0.00 C ATOM 695 CG LYS A 43 63.702 -16.467 2.152 1.00 0.00 C ATOM 696 CD LYS A 43 62.268 -16.980 2.014 1.00 0.00 C ATOM 697 CE LYS A 43 62.150 -18.351 2.682 1.00 0.00 C ATOM 698 NZ LYS A 43 62.092 -18.180 4.162 1.00 0.00 N ATOM 0 H LYS A 43 66.847 -17.024 0.491 1.00 0.00 H new ATOM 0 HA LYS A 43 64.457 -18.597 1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 43 65.214 -15.776 0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 43 63.683 -16.167 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 43 64.256 -17.090 2.854 1.00 0.00 H new ATOM 0 HG3 LYS A 43 63.700 -15.455 2.556 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.573 -16.278 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 43 61.996 -17.052 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 43 61.255 -18.863 2.329 1.00 0.00 H new ATOM 0 HE3 LYS A 43 63.002 -18.974 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 62.012 -19.112 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 62.958 -17.708 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 61.265 -17.601 4.412 1.00 0.00 H new ATOM 712 N VAL A 44 65.386 -18.889 -1.636 1.00 0.00 N ATOM 713 CA VAL A 44 65.118 -19.331 -3.025 1.00 0.00 C ATOM 714 C VAL A 44 66.111 -20.442 -3.367 1.00 0.00 C ATOM 715 O VAL A 44 65.776 -21.425 -3.998 1.00 0.00 O ATOM 716 CB VAL A 44 65.311 -18.151 -3.979 1.00 0.00 C ATOM 717 CG1 VAL A 44 65.428 -18.662 -5.417 1.00 0.00 C ATOM 718 CG2 VAL A 44 64.109 -17.209 -3.871 1.00 0.00 C ATOM 0 H VAL A 44 66.321 -19.110 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 44 64.096 -19.697 -3.121 1.00 0.00 H new ATOM 0 HB VAL A 44 66.222 -17.616 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 44 65.565 -17.818 -6.093 1.00 0.00 H new ATOM 0 HG12 VAL A 44 66.283 -19.333 -5.496 1.00 0.00 H new ATOM 0 HG13 VAL A 44 64.519 -19.199 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 44 64.244 -16.367 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 44 63.200 -17.748 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 44 64.026 -16.841 -2.848 1.00 0.00 H new ATOM 728 N HIS A 45 67.334 -20.290 -2.936 1.00 0.00 N ATOM 729 CA HIS A 45 68.367 -21.325 -3.205 1.00 0.00 C ATOM 730 C HIS A 45 67.824 -22.704 -2.822 1.00 0.00 C ATOM 731 O HIS A 45 67.322 -23.435 -3.652 1.00 0.00 O ATOM 732 CB HIS A 45 69.606 -21.008 -2.364 1.00 0.00 C ATOM 733 CG HIS A 45 70.538 -20.130 -3.154 1.00 0.00 C ATOM 734 ND1 HIS A 45 70.108 -19.390 -4.244 1.00 0.00 N ATOM 735 CD2 HIS A 45 71.877 -19.863 -3.023 1.00 0.00 C ATOM 736 CE1 HIS A 45 71.172 -18.719 -4.723 1.00 0.00 C ATOM 737 NE2 HIS A 45 72.276 -18.970 -4.015 1.00 0.00 N ATOM 0 H HIS A 45 67.662 -19.484 -2.404 1.00 0.00 H new ATOM 0 HA HIS A 45 68.626 -21.328 -4.264 1.00 0.00 H new ATOM 0 HB2 HIS A 45 69.314 -20.508 -1.441 1.00 0.00 H new ATOM 0 HB3 HIS A 45 70.112 -21.931 -2.080 1.00 0.00 H new ATOM 0 HD2 HIS A 45 72.524 -20.281 -2.266 1.00 0.00 H new ATOM 0 HE1 HIS A 45 71.137 -18.058 -5.576 1.00 0.00 H new ATOM 0 HE2 HIS A 45 73.210 -18.590 -4.168 1.00 0.00 H new ATOM 745 N LYS A 46 67.924 -23.065 -1.572 1.00 0.00 N ATOM 746 CA LYS A 46 67.414 -24.396 -1.139 1.00 0.00 C ATOM 747 C LYS A 46 68.249 -25.499 -1.793 1.00 0.00 C ATOM 748 O LYS A 46 67.890 -26.660 -1.769 1.00 0.00 O ATOM 749 CB LYS A 46 65.951 -24.544 -1.563 1.00 0.00 C ATOM 750 CG LYS A 46 65.166 -23.303 -1.132 1.00 0.00 C ATOM 751 CD LYS A 46 65.041 -23.279 0.393 1.00 0.00 C ATOM 752 CE LYS A 46 63.643 -23.751 0.799 1.00 0.00 C ATOM 753 NZ LYS A 46 63.729 -24.513 2.077 1.00 0.00 N ATOM 0 H LYS A 46 68.336 -22.496 -0.833 1.00 0.00 H new ATOM 0 HA LYS A 46 67.488 -24.479 -0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.886 -24.671 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 46 65.519 -25.436 -1.110 1.00 0.00 H new ATOM 0 HG2 LYS A 46 65.671 -22.402 -1.480 1.00 0.00 H new ATOM 0 HG3 LYS A 46 64.176 -23.310 -1.588 1.00 0.00 H new ATOM 0 HD2 LYS A 46 65.798 -23.923 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.219 -22.271 0.767 1.00 0.00 H new ATOM 0 HE2 LYS A 46 62.978 -22.895 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 46 63.218 -24.379 0.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 62.780 -24.834 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 64.350 -25.337 1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 64.118 -23.900 2.821 1.00 0.00 H new ATOM 767 N LYS A 47 69.361 -25.146 -2.377 1.00 0.00 N ATOM 768 CA LYS A 47 70.222 -26.171 -3.032 1.00 0.00 C ATOM 769 C LYS A 47 71.399 -25.482 -3.724 1.00 0.00 C ATOM 770 O LYS A 47 71.548 -25.548 -4.927 1.00 0.00 O ATOM 771 CB LYS A 47 69.401 -26.941 -4.070 1.00 0.00 C ATOM 772 CG LYS A 47 68.829 -25.961 -5.098 1.00 0.00 C ATOM 773 CD LYS A 47 67.395 -26.364 -5.444 1.00 0.00 C ATOM 774 CE LYS A 47 66.707 -25.215 -6.183 1.00 0.00 C ATOM 775 NZ LYS A 47 65.575 -25.751 -6.991 1.00 0.00 N ATOM 0 H LYS A 47 69.711 -24.189 -2.429 1.00 0.00 H new ATOM 0 HA LYS A 47 70.597 -26.864 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS A 47 70.027 -27.682 -4.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.593 -27.484 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 47 68.847 -24.947 -4.699 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.445 -25.960 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 47 67.397 -27.260 -6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 47 66.845 -26.607 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 47 66.341 -24.477 -5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 47 67.421 -24.706 -6.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 65.107 -24.970 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 65.937 -26.440 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 64.890 -26.218 -6.363 1.00 0.00 H new ATOM 789 N ASP A 48 72.237 -24.819 -2.973 1.00 0.00 N ATOM 790 CA ASP A 48 73.402 -24.128 -3.593 1.00 0.00 C ATOM 791 C ASP A 48 74.118 -23.285 -2.535 1.00 0.00 C ATOM 792 O ASP A 48 73.688 -22.200 -2.197 1.00 0.00 O ATOM 793 CB ASP A 48 72.915 -23.221 -4.724 1.00 0.00 C ATOM 794 CG ASP A 48 73.571 -23.646 -6.038 1.00 0.00 C ATOM 795 OD1 ASP A 48 74.773 -23.478 -6.158 1.00 0.00 O ATOM 796 OD2 ASP A 48 72.861 -24.133 -6.902 1.00 0.00 O ATOM 0 H ASP A 48 72.165 -24.727 -1.960 1.00 0.00 H new ATOM 0 HA ASP A 48 74.092 -24.870 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 48 71.830 -23.281 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 48 73.160 -22.182 -4.502 1.00 0.00 H new ATOM 801 N HIS A 49 75.207 -23.776 -2.009 1.00 0.00 N ATOM 802 CA HIS A 49 75.950 -23.001 -0.974 1.00 0.00 C ATOM 803 C HIS A 49 75.037 -22.751 0.228 1.00 0.00 C ATOM 804 O HIS A 49 73.858 -23.042 0.196 1.00 0.00 O ATOM 805 CB HIS A 49 76.396 -21.660 -1.563 1.00 0.00 C ATOM 806 CG HIS A 49 76.806 -21.854 -2.998 1.00 0.00 C ATOM 807 ND1 HIS A 49 77.798 -22.747 -3.370 1.00 0.00 N ATOM 808 CD2 HIS A 49 76.365 -21.276 -4.163 1.00 0.00 C ATOM 809 CE1 HIS A 49 77.922 -22.681 -4.709 1.00 0.00 C ATOM 810 NE2 HIS A 49 77.072 -21.799 -5.242 1.00 0.00 N ATOM 0 H HIS A 49 75.614 -24.679 -2.251 1.00 0.00 H new ATOM 0 HA HIS A 49 76.825 -23.567 -0.655 1.00 0.00 H new ATOM 0 HB2 HIS A 49 75.584 -20.935 -1.500 1.00 0.00 H new ATOM 0 HB3 HIS A 49 77.229 -21.257 -0.987 1.00 0.00 H new ATOM 0 HD2 HIS A 49 75.588 -20.529 -4.232 1.00 0.00 H new ATOM 0 HE1 HIS A 49 78.623 -23.269 -5.282 1.00 0.00 H new ATOM 0 HE2 HIS A 49 76.964 -21.560 -6.228 1.00 0.00 H new ATOM 818 N HIS A 50 75.574 -22.212 1.289 1.00 0.00 N ATOM 819 CA HIS A 50 74.736 -21.944 2.492 1.00 0.00 C ATOM 820 C HIS A 50 75.305 -20.755 3.250 1.00 0.00 C ATOM 821 O HIS A 50 75.070 -20.571 4.428 1.00 0.00 O ATOM 822 CB HIS A 50 74.746 -23.166 3.398 1.00 0.00 C ATOM 823 CG HIS A 50 73.334 -23.587 3.697 1.00 0.00 C ATOM 824 ND1 HIS A 50 72.489 -24.085 2.718 1.00 0.00 N ATOM 825 CD2 HIS A 50 72.604 -23.589 4.859 1.00 0.00 C ATOM 826 CE1 HIS A 50 71.310 -24.363 3.304 1.00 0.00 C ATOM 827 NE2 HIS A 50 71.326 -24.079 4.609 1.00 0.00 N ATOM 0 H HIS A 50 76.555 -21.946 1.374 1.00 0.00 H new ATOM 0 HA HIS A 50 73.714 -21.726 2.181 1.00 0.00 H new ATOM 0 HB2 HIS A 50 75.285 -23.982 2.917 1.00 0.00 H new ATOM 0 HB3 HIS A 50 75.272 -22.939 4.325 1.00 0.00 H new ATOM 0 HD1 HIS A 50 72.719 -24.217 1.733 1.00 0.00 H new ATOM 0 HD2 HIS A 50 72.967 -23.260 5.822 1.00 0.00 H new ATOM 0 HE1 HIS A 50 70.455 -24.767 2.782 1.00 0.00 H new ATOM 835 N SER A 51 76.049 -19.951 2.569 1.00 0.00 N ATOM 836 CA SER A 51 76.658 -18.755 3.214 1.00 0.00 C ATOM 837 C SER A 51 75.557 -17.907 3.856 1.00 0.00 C ATOM 838 O SER A 51 74.485 -17.746 3.308 1.00 0.00 O ATOM 839 CB SER A 51 77.390 -17.923 2.161 1.00 0.00 C ATOM 840 OG SER A 51 76.858 -18.218 0.876 1.00 0.00 O ATOM 0 H SER A 51 76.269 -20.065 1.580 1.00 0.00 H new ATOM 0 HA SER A 51 77.365 -19.076 3.979 1.00 0.00 H new ATOM 0 HB2 SER A 51 77.279 -16.861 2.378 1.00 0.00 H new ATOM 0 HB3 SER A 51 78.457 -18.143 2.185 1.00 0.00 H new ATOM 0 HG SER A 51 77.324 -17.685 0.199 1.00 0.00 H new ATOM 846 N HIS A 52 75.813 -17.363 5.014 1.00 0.00 N ATOM 847 CA HIS A 52 74.782 -16.527 5.688 1.00 0.00 C ATOM 848 C HIS A 52 75.286 -16.109 7.069 1.00 0.00 C ATOM 849 O HIS A 52 75.110 -14.984 7.491 1.00 0.00 O ATOM 850 CB HIS A 52 73.490 -17.334 5.838 1.00 0.00 C ATOM 851 CG HIS A 52 72.307 -16.437 5.596 1.00 0.00 C ATOM 852 ND1 HIS A 52 71.096 -16.661 4.990 1.00 0.00 N flip ATOM 853 CD2 HIS A 52 72.289 -15.111 6.002 1.00 0.00 C flip ATOM 854 CE1 HIS A 52 70.336 -15.495 5.019 1.00 0.00 C flip ATOM 855 NE2 HIS A 52 71.102 -14.593 5.639 1.00 0.00 N flip ATOM 0 H HIS A 52 76.692 -17.462 5.522 1.00 0.00 H new ATOM 0 HA HIS A 52 74.587 -15.637 5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 52 73.482 -18.163 5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 52 73.433 -17.767 6.837 1.00 0.00 H new ATOM 0 HD2 HIS A 52 73.083 -14.590 6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 52 69.341 -15.351 4.625 1.00 0.00 H new ATOM 0 HE2 HIS A 52 70.821 -13.629 5.816 1.00 0.00 H new ATOM 863 N ARG A 53 75.910 -17.008 7.775 1.00 0.00 N ATOM 864 CA ARG A 53 76.426 -16.668 9.129 1.00 0.00 C ATOM 865 C ARG A 53 77.483 -15.566 9.008 1.00 0.00 C ATOM 866 O ARG A 53 77.714 -14.811 9.931 1.00 0.00 O ATOM 867 CB ARG A 53 77.053 -17.910 9.764 1.00 0.00 C ATOM 868 CG ARG A 53 75.952 -18.914 10.115 1.00 0.00 C ATOM 869 CD ARG A 53 76.051 -20.125 9.184 1.00 0.00 C ATOM 870 NE ARG A 53 77.128 -21.033 9.664 1.00 0.00 N ATOM 871 CZ ARG A 53 77.952 -21.577 8.810 1.00 0.00 C ATOM 872 NH1 ARG A 53 78.775 -20.828 8.129 1.00 0.00 N ATOM 873 NH2 ARG A 53 77.952 -22.871 8.638 1.00 0.00 N ATOM 0 H ARG A 53 76.086 -17.966 7.472 1.00 0.00 H new ATOM 0 HA ARG A 53 75.605 -16.318 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 77.767 -18.363 9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 53 77.607 -17.633 10.661 1.00 0.00 H new ATOM 0 HG2 ARG A 53 76.051 -19.231 11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 53 74.973 -18.445 10.017 1.00 0.00 H new ATOM 0 HD2 ARG A 53 75.099 -20.655 9.157 1.00 0.00 H new ATOM 0 HD3 ARG A 53 76.263 -19.798 8.166 1.00 0.00 H new ATOM 0 HE ARG A 53 77.222 -21.230 10.660 1.00 0.00 H new ATOM 0 HH11 ARG A 53 78.775 -19.817 8.264 1.00 0.00 H new ATOM 0 HH12 ARG A 53 79.419 -21.253 7.462 1.00 0.00 H new ATOM 0 HH21 ARG A 53 77.308 -23.456 9.171 1.00 0.00 H new ATOM 0 HH22 ARG A 53 78.595 -23.297 7.971 1.00 0.00 H new ATOM 887 N GLY A 54 78.127 -15.471 7.876 1.00 0.00 N ATOM 888 CA GLY A 54 79.167 -14.418 7.698 1.00 0.00 C ATOM 889 C GLY A 54 78.599 -13.272 6.861 1.00 0.00 C ATOM 890 O GLY A 54 79.265 -12.286 6.612 1.00 0.00 O ATOM 0 H GLY A 54 77.978 -16.076 7.068 1.00 0.00 H new ATOM 0 HA2 GLY A 54 79.492 -14.046 8.670 1.00 0.00 H new ATOM 0 HA3 GLY A 54 80.045 -14.839 7.208 1.00 0.00 H new ATOM 894 N LEU A 55 77.373 -13.388 6.425 1.00 0.00 N ATOM 895 CA LEU A 55 76.771 -12.305 5.608 1.00 0.00 C ATOM 896 C LEU A 55 76.084 -11.294 6.524 1.00 0.00 C ATOM 897 O LEU A 55 75.101 -10.676 6.165 1.00 0.00 O ATOM 898 CB LEU A 55 75.750 -12.900 4.636 1.00 0.00 C ATOM 899 CG LEU A 55 76.300 -12.832 3.210 1.00 0.00 C ATOM 900 CD1 LEU A 55 76.499 -11.371 2.808 1.00 0.00 C ATOM 901 CD2 LEU A 55 77.642 -13.564 3.148 1.00 0.00 C ATOM 0 H LEU A 55 76.765 -14.188 6.602 1.00 0.00 H new ATOM 0 HA LEU A 55 77.554 -11.802 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 55 75.536 -13.934 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 55 74.809 -12.353 4.700 1.00 0.00 H new ATOM 0 HG LEU A 55 75.595 -13.303 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 76.891 -11.323 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 55 75.544 -10.848 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 55 77.204 -10.898 3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 78.036 -13.517 2.133 1.00 0.00 H new ATOM 0 HD22 LEU A 55 78.346 -13.091 3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 55 77.502 -14.606 3.435 1.00 0.00 H new ATOM 913 N LEU A 56 76.600 -11.124 7.704 1.00 0.00 N ATOM 914 CA LEU A 56 76.002 -10.167 8.657 1.00 0.00 C ATOM 915 C LEU A 56 76.908 -8.945 8.778 1.00 0.00 C ATOM 916 O LEU A 56 76.456 -7.819 8.841 1.00 0.00 O ATOM 917 CB LEU A 56 75.874 -10.844 10.017 1.00 0.00 C ATOM 918 CG LEU A 56 74.778 -11.908 9.956 1.00 0.00 C ATOM 919 CD1 LEU A 56 74.737 -12.675 11.278 1.00 0.00 C ATOM 920 CD2 LEU A 56 73.425 -11.234 9.716 1.00 0.00 C ATOM 0 H LEU A 56 77.423 -11.617 8.050 1.00 0.00 H new ATOM 0 HA LEU A 56 75.019 -9.854 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 56 76.823 -11.300 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 56 75.636 -10.105 10.782 1.00 0.00 H new ATOM 0 HG LEU A 56 74.989 -12.600 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 56 73.956 -13.434 11.234 1.00 0.00 H new ATOM 0 HD12 LEU A 56 75.700 -13.156 11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 56 74.526 -11.983 12.094 1.00 0.00 H new ATOM 0 HD21 LEU A 56 72.643 -11.992 9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 56 73.214 -10.542 10.531 1.00 0.00 H new ATOM 0 HD23 LEU A 56 73.453 -10.687 8.773 1.00 0.00 H new ATOM 932 N MET A 57 78.187 -9.170 8.811 1.00 0.00 N ATOM 933 CA MET A 57 79.150 -8.040 8.928 1.00 0.00 C ATOM 934 C MET A 57 78.753 -6.924 7.960 1.00 0.00 C ATOM 935 O MET A 57 78.738 -5.761 8.311 1.00 0.00 O ATOM 936 CB MET A 57 80.556 -8.538 8.586 1.00 0.00 C ATOM 937 CG MET A 57 81.533 -7.360 8.593 1.00 0.00 C ATOM 938 SD MET A 57 83.179 -7.940 8.115 1.00 0.00 S ATOM 939 CE MET A 57 83.790 -6.370 7.455 1.00 0.00 C ATOM 0 H MET A 57 78.613 -10.095 8.762 1.00 0.00 H new ATOM 0 HA MET A 57 79.136 -7.653 9.947 1.00 0.00 H new ATOM 0 HB2 MET A 57 80.872 -9.290 9.309 1.00 0.00 H new ATOM 0 HB3 MET A 57 80.555 -9.017 7.607 1.00 0.00 H new ATOM 0 HG2 MET A 57 81.193 -6.588 7.903 1.00 0.00 H new ATOM 0 HG3 MET A 57 81.568 -6.909 9.585 1.00 0.00 H new ATOM 0 HE1 MET A 57 84.844 -6.470 7.194 1.00 0.00 H new ATOM 0 HE2 MET A 57 83.220 -6.103 6.565 1.00 0.00 H new ATOM 0 HE3 MET A 57 83.675 -5.590 8.207 1.00 0.00 H new ATOM 949 N MET A 58 78.433 -7.268 6.742 1.00 0.00 N ATOM 950 CA MET A 58 78.041 -6.225 5.753 1.00 0.00 C ATOM 951 C MET A 58 76.858 -5.423 6.298 1.00 0.00 C ATOM 952 O MET A 58 76.823 -4.212 6.209 1.00 0.00 O ATOM 953 CB MET A 58 77.640 -6.896 4.439 1.00 0.00 C ATOM 954 CG MET A 58 78.620 -6.489 3.337 1.00 0.00 C ATOM 955 SD MET A 58 78.230 -7.392 1.818 1.00 0.00 S ATOM 956 CE MET A 58 76.429 -7.237 1.917 1.00 0.00 C ATOM 0 H MET A 58 78.426 -8.225 6.390 1.00 0.00 H new ATOM 0 HA MET A 58 78.883 -5.555 5.578 1.00 0.00 H new ATOM 0 HB2 MET A 58 77.639 -7.980 4.557 1.00 0.00 H new ATOM 0 HB3 MET A 58 76.626 -6.605 4.164 1.00 0.00 H new ATOM 0 HG2 MET A 58 78.559 -5.415 3.160 1.00 0.00 H new ATOM 0 HG3 MET A 58 79.643 -6.703 3.648 1.00 0.00 H new ATOM 0 HE1 MET A 58 75.992 -7.437 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 58 76.041 -7.954 2.641 1.00 0.00 H new ATOM 0 HE3 MET A 58 76.168 -6.227 2.231 1.00 0.00 H new ATOM 966 N VAL A 59 75.886 -6.088 6.861 1.00 0.00 N ATOM 967 CA VAL A 59 74.706 -5.364 7.408 1.00 0.00 C ATOM 968 C VAL A 59 75.161 -4.397 8.503 1.00 0.00 C ATOM 969 O VAL A 59 74.796 -3.238 8.513 1.00 0.00 O ATOM 970 CB VAL A 59 73.717 -6.371 7.997 1.00 0.00 C ATOM 971 CG1 VAL A 59 72.465 -5.638 8.480 1.00 0.00 C ATOM 972 CG2 VAL A 59 73.326 -7.390 6.923 1.00 0.00 C ATOM 0 H VAL A 59 75.859 -7.102 6.965 1.00 0.00 H new ATOM 0 HA VAL A 59 74.222 -4.804 6.608 1.00 0.00 H new ATOM 0 HB VAL A 59 74.183 -6.886 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 59 71.761 -6.357 8.899 1.00 0.00 H new ATOM 0 HG12 VAL A 59 72.741 -4.912 9.245 1.00 0.00 H new ATOM 0 HG13 VAL A 59 71.999 -5.122 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 59 72.621 -8.108 7.342 1.00 0.00 H new ATOM 0 HG22 VAL A 59 72.861 -6.873 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 59 74.217 -7.915 6.578 1.00 0.00 H new ATOM 982 N GLY A 60 75.954 -4.865 9.427 1.00 0.00 N ATOM 983 CA GLY A 60 76.431 -3.974 10.523 1.00 0.00 C ATOM 984 C GLY A 60 77.626 -3.153 10.035 1.00 0.00 C ATOM 985 O GLY A 60 78.246 -2.433 10.791 1.00 0.00 O ATOM 0 H GLY A 60 76.293 -5.826 9.471 1.00 0.00 H new ATOM 0 HA2 GLY A 60 75.627 -3.310 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.716 -4.569 11.391 1.00 0.00 H new ATOM 989 N GLN A 61 77.955 -3.255 8.775 1.00 0.00 N ATOM 990 CA GLN A 61 79.107 -2.483 8.242 1.00 0.00 C ATOM 991 C GLN A 61 78.619 -1.148 7.700 1.00 0.00 C ATOM 992 O GLN A 61 79.270 -0.503 6.901 1.00 0.00 O ATOM 993 CB GLN A 61 79.772 -3.272 7.122 1.00 0.00 C ATOM 994 CG GLN A 61 81.137 -3.781 7.589 1.00 0.00 C ATOM 995 CD GLN A 61 82.173 -2.665 7.450 1.00 0.00 C ATOM 996 OE1 GLN A 61 81.907 -1.526 7.782 1.00 0.00 O ATOM 997 NE2 GLN A 61 83.355 -2.945 6.968 1.00 0.00 N ATOM 0 H GLN A 61 77.473 -3.841 8.094 1.00 0.00 H new ATOM 0 HA GLN A 61 79.827 -2.308 9.042 1.00 0.00 H new ATOM 0 HB2 GLN A 61 79.140 -4.111 6.831 1.00 0.00 H new ATOM 0 HB3 GLN A 61 79.890 -2.642 6.241 1.00 0.00 H new ATOM 0 HG2 GLN A 61 81.079 -4.110 8.626 1.00 0.00 H new ATOM 0 HG3 GLN A 61 81.437 -4.646 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 61 83.579 -3.900 6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 61 84.054 -2.208 6.871 1.00 0.00 H new ATOM 1006 N ARG A 62 77.477 -0.737 8.136 1.00 0.00 N ATOM 1007 CA ARG A 62 76.908 0.560 7.669 1.00 0.00 C ATOM 1008 C ARG A 62 76.658 1.471 8.870 1.00 0.00 C ATOM 1009 O ARG A 62 76.561 2.675 8.740 1.00 0.00 O ATOM 1010 CB ARG A 62 75.588 0.305 6.938 1.00 0.00 C ATOM 1011 CG ARG A 62 74.874 1.637 6.695 1.00 0.00 C ATOM 1012 CD ARG A 62 73.701 1.420 5.736 1.00 0.00 C ATOM 1013 NE ARG A 62 73.084 0.090 5.999 1.00 0.00 N ATOM 1014 CZ ARG A 62 71.976 0.009 6.685 1.00 0.00 C ATOM 1015 NH1 ARG A 62 70.845 0.372 6.144 1.00 0.00 N ATOM 1016 NH2 ARG A 62 72.000 -0.435 7.912 1.00 0.00 N ATOM 0 H ARG A 62 76.898 -1.244 8.805 1.00 0.00 H new ATOM 0 HA ARG A 62 77.612 1.041 6.990 1.00 0.00 H new ATOM 0 HB2 ARG A 62 75.777 -0.197 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 62 74.955 -0.357 7.529 1.00 0.00 H new ATOM 0 HG2 ARG A 62 74.515 2.047 7.639 1.00 0.00 H new ATOM 0 HG3 ARG A 62 75.570 2.364 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 62 72.960 2.209 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 62 74.046 1.475 4.704 1.00 0.00 H new ATOM 0 HE ARG A 62 73.527 -0.757 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 62 70.827 0.719 5.185 1.00 0.00 H new ATOM 0 HH12 ARG A 62 69.980 0.309 6.680 1.00 0.00 H new ATOM 0 HH21 ARG A 62 72.884 -0.718 8.335 1.00 0.00 H new ATOM 0 HH22 ARG A 62 71.135 -0.498 8.448 1.00 0.00 H new ATOM 1030 N ARG A 63 76.555 0.906 10.041 1.00 0.00 N ATOM 1031 CA ARG A 63 76.313 1.734 11.251 1.00 0.00 C ATOM 1032 C ARG A 63 77.563 2.558 11.567 1.00 0.00 C ATOM 1033 O ARG A 63 77.564 3.387 12.455 1.00 0.00 O ATOM 1034 CB ARG A 63 75.990 0.822 12.437 1.00 0.00 C ATOM 1035 CG ARG A 63 74.536 1.032 12.863 1.00 0.00 C ATOM 1036 CD ARG A 63 73.901 -0.320 13.194 1.00 0.00 C ATOM 1037 NE ARG A 63 73.397 -0.952 11.943 1.00 0.00 N ATOM 1038 CZ ARG A 63 72.318 -1.686 11.971 1.00 0.00 C ATOM 1039 NH1 ARG A 63 71.213 -1.200 12.465 1.00 0.00 N ATOM 1040 NH2 ARG A 63 72.346 -2.905 11.505 1.00 0.00 N ATOM 0 H ARG A 63 76.629 -0.097 10.210 1.00 0.00 H new ATOM 0 HA ARG A 63 75.474 2.405 11.069 1.00 0.00 H new ATOM 0 HB2 ARG A 63 76.152 -0.220 12.162 1.00 0.00 H new ATOM 0 HB3 ARG A 63 76.659 1.040 13.270 1.00 0.00 H new ATOM 0 HG2 ARG A 63 74.492 1.689 13.732 1.00 0.00 H new ATOM 0 HG3 ARG A 63 73.979 1.522 12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 63 74.633 -0.970 13.673 1.00 0.00 H new ATOM 0 HD3 ARG A 63 73.083 -0.186 13.901 1.00 0.00 H new ATOM 0 HE ARG A 63 73.895 -0.811 11.064 1.00 0.00 H new ATOM 0 HH11 ARG A 63 71.193 -0.247 12.829 1.00 0.00 H new ATOM 0 HH12 ARG A 63 70.369 -1.773 12.487 1.00 0.00 H new ATOM 0 HH21 ARG A 63 73.211 -3.284 11.119 1.00 0.00 H new ATOM 0 HH22 ARG A 63 71.503 -3.479 11.527 1.00 0.00 H new ATOM 1054 N ARG A 64 78.630 2.339 10.846 1.00 0.00 N ATOM 1055 CA ARG A 64 79.872 3.106 11.105 1.00 0.00 C ATOM 1056 C ARG A 64 80.516 3.507 9.776 1.00 0.00 C ATOM 1057 O ARG A 64 81.619 4.013 9.739 1.00 0.00 O ATOM 1058 CB ARG A 64 80.849 2.245 11.908 1.00 0.00 C ATOM 1059 CG ARG A 64 80.277 1.993 13.306 1.00 0.00 C ATOM 1060 CD ARG A 64 81.110 0.924 14.014 1.00 0.00 C ATOM 1061 NE ARG A 64 81.901 1.555 15.109 1.00 0.00 N ATOM 1062 CZ ARG A 64 81.734 1.165 16.343 1.00 0.00 C ATOM 1063 NH1 ARG A 64 82.324 0.082 16.772 1.00 0.00 N ATOM 1064 NH2 ARG A 64 80.976 1.858 17.149 1.00 0.00 N ATOM 0 H ARG A 64 78.690 1.659 10.088 1.00 0.00 H new ATOM 0 HA ARG A 64 79.629 4.004 11.674 1.00 0.00 H new ATOM 0 HB2 ARG A 64 81.020 1.297 11.397 1.00 0.00 H new ATOM 0 HB3 ARG A 64 81.814 2.745 11.983 1.00 0.00 H new ATOM 0 HG2 ARG A 64 80.284 2.917 13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 64 79.238 1.670 13.233 1.00 0.00 H new ATOM 0 HD2 ARG A 64 80.459 0.150 14.421 1.00 0.00 H new ATOM 0 HD3 ARG A 64 81.777 0.437 13.303 1.00 0.00 H new ATOM 0 HE ARG A 64 82.573 2.292 14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 64 82.916 -0.460 16.142 1.00 0.00 H new ATOM 0 HH12 ARG A 64 82.193 -0.222 17.737 1.00 0.00 H new ATOM 0 HH21 ARG A 64 80.515 2.704 16.814 1.00 0.00 H new ATOM 0 HH22 ARG A 64 80.845 1.554 18.114 1.00 0.00 H new ATOM 1078 N LEU A 65 79.837 3.287 8.683 1.00 0.00 N ATOM 1079 CA LEU A 65 80.416 3.658 7.364 1.00 0.00 C ATOM 1080 C LEU A 65 80.682 5.163 7.332 1.00 0.00 C ATOM 1081 O LEU A 65 81.471 5.649 6.546 1.00 0.00 O ATOM 1082 CB LEU A 65 79.437 3.290 6.247 1.00 0.00 C ATOM 1083 CG LEU A 65 79.930 2.029 5.532 1.00 0.00 C ATOM 1084 CD1 LEU A 65 78.787 1.424 4.716 1.00 0.00 C ATOM 1085 CD2 LEU A 65 81.085 2.393 4.596 1.00 0.00 C ATOM 0 H LEU A 65 78.908 2.867 8.648 1.00 0.00 H new ATOM 0 HA LEU A 65 81.351 3.117 7.216 1.00 0.00 H new ATOM 0 HB2 LEU A 65 78.443 3.121 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 65 79.351 4.113 5.538 1.00 0.00 H new ATOM 0 HG LEU A 65 80.273 1.304 6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 65 79.139 0.526 4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 65 77.963 1.165 5.381 1.00 0.00 H new ATOM 0 HD13 LEU A 65 78.444 2.149 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 65 81.437 1.496 4.086 1.00 0.00 H new ATOM 0 HD22 LEU A 65 80.741 3.118 3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 65 81.901 2.825 5.176 1.00 0.00 H new ATOM 1097 N LEU A 66 80.030 5.903 8.183 1.00 0.00 N ATOM 1098 CA LEU A 66 80.244 7.375 8.208 1.00 0.00 C ATOM 1099 C LEU A 66 81.700 7.666 8.573 1.00 0.00 C ATOM 1100 O LEU A 66 82.297 8.604 8.085 1.00 0.00 O ATOM 1101 CB LEU A 66 79.319 8.009 9.248 1.00 0.00 C ATOM 1102 CG LEU A 66 79.409 7.227 10.559 1.00 0.00 C ATOM 1103 CD1 LEU A 66 80.058 8.102 11.633 1.00 0.00 C ATOM 1104 CD2 LEU A 66 78.003 6.825 11.011 1.00 0.00 C ATOM 0 H LEU A 66 79.357 5.551 8.864 1.00 0.00 H new ATOM 0 HA LEU A 66 80.022 7.794 7.226 1.00 0.00 H new ATOM 0 HB2 LEU A 66 79.600 9.049 9.413 1.00 0.00 H new ATOM 0 HB3 LEU A 66 78.292 8.010 8.883 1.00 0.00 H new ATOM 0 HG LEU A 66 80.012 6.332 10.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 80.122 7.544 12.567 1.00 0.00 H new ATOM 0 HD12 LEU A 66 81.060 8.389 11.312 1.00 0.00 H new ATOM 0 HD13 LEU A 66 79.456 8.998 11.786 1.00 0.00 H new ATOM 0 HD21 LEU A 66 78.067 6.268 11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 66 77.400 7.720 11.163 1.00 0.00 H new ATOM 0 HD23 LEU A 66 77.540 6.201 10.247 1.00 0.00 H new ATOM 1116 N ARG A 67 82.276 6.865 9.426 1.00 0.00 N ATOM 1117 CA ARG A 67 83.694 7.091 9.824 1.00 0.00 C ATOM 1118 C ARG A 67 84.554 7.295 8.576 1.00 0.00 C ATOM 1119 O ARG A 67 85.627 7.860 8.638 1.00 0.00 O ATOM 1120 CB ARG A 67 84.204 5.875 10.600 1.00 0.00 C ATOM 1121 CG ARG A 67 84.996 6.345 11.821 1.00 0.00 C ATOM 1122 CD ARG A 67 85.656 5.143 12.495 1.00 0.00 C ATOM 1123 NE ARG A 67 86.993 4.902 11.882 1.00 0.00 N ATOM 1124 CZ ARG A 67 87.528 3.713 11.931 1.00 0.00 C ATOM 1125 NH1 ARG A 67 88.063 3.285 13.042 1.00 0.00 N ATOM 1126 NH2 ARG A 67 87.528 2.953 10.871 1.00 0.00 N ATOM 0 H ARG A 67 81.825 6.062 9.865 1.00 0.00 H new ATOM 0 HA ARG A 67 83.755 7.979 10.453 1.00 0.00 H new ATOM 0 HB2 ARG A 67 83.366 5.253 10.914 1.00 0.00 H new ATOM 0 HB3 ARG A 67 84.835 5.259 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 67 85.754 7.068 11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 67 84.334 6.851 12.524 1.00 0.00 H new ATOM 0 HD2 ARG A 67 85.762 5.325 13.564 1.00 0.00 H new ATOM 0 HD3 ARG A 67 85.028 4.259 12.383 1.00 0.00 H new ATOM 0 HE ARG A 67 87.490 5.666 11.424 1.00 0.00 H new ATOM 0 HH11 ARG A 67 88.062 3.880 13.871 1.00 0.00 H new ATOM 0 HH12 ARG A 67 88.482 2.356 13.082 1.00 0.00 H new ATOM 0 HH21 ARG A 67 87.110 3.288 10.003 1.00 0.00 H new ATOM 0 HH22 ARG A 67 87.946 2.024 10.910 1.00 0.00 H new ATOM 1140 N TYR A 68 84.099 6.836 7.444 1.00 0.00 N ATOM 1141 CA TYR A 68 84.895 7.003 6.201 1.00 0.00 C ATOM 1142 C TYR A 68 84.715 8.422 5.652 1.00 0.00 C ATOM 1143 O TYR A 68 85.667 9.157 5.482 1.00 0.00 O ATOM 1144 CB TYR A 68 84.424 5.989 5.155 1.00 0.00 C ATOM 1145 CG TYR A 68 85.461 5.876 4.063 1.00 0.00 C ATOM 1146 CD1 TYR A 68 85.663 6.941 3.176 1.00 0.00 C ATOM 1147 CD2 TYR A 68 86.223 4.708 3.940 1.00 0.00 C ATOM 1148 CE1 TYR A 68 86.625 6.836 2.165 1.00 0.00 C ATOM 1149 CE2 TYR A 68 87.185 4.604 2.929 1.00 0.00 C ATOM 1150 CZ TYR A 68 87.386 5.667 2.042 1.00 0.00 C ATOM 1151 OH TYR A 68 88.335 5.563 1.044 1.00 0.00 O ATOM 0 H TYR A 68 83.209 6.352 7.328 1.00 0.00 H new ATOM 0 HA TYR A 68 85.949 6.837 6.425 1.00 0.00 H new ATOM 0 HB2 TYR A 68 84.264 5.017 5.621 1.00 0.00 H new ATOM 0 HB3 TYR A 68 83.469 6.302 4.734 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.077 7.843 3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 68 86.068 3.888 4.625 1.00 0.00 H new ATOM 0 HE1 TYR A 68 86.780 7.656 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.772 3.703 2.833 1.00 0.00 H new ATOM 0 HH TYR A 68 88.774 4.689 1.100 1.00 0.00 H new ATOM 1161 N LEU A 69 83.501 8.809 5.359 1.00 0.00 N ATOM 1162 CA LEU A 69 83.263 10.171 4.808 1.00 0.00 C ATOM 1163 C LEU A 69 83.204 11.199 5.940 1.00 0.00 C ATOM 1164 O LEU A 69 83.933 12.171 5.944 1.00 0.00 O ATOM 1165 CB LEU A 69 81.941 10.183 4.038 1.00 0.00 C ATOM 1166 CG LEU A 69 81.631 11.607 3.576 1.00 0.00 C ATOM 1167 CD1 LEU A 69 82.469 11.937 2.339 1.00 0.00 C ATOM 1168 CD2 LEU A 69 80.145 11.716 3.226 1.00 0.00 C ATOM 0 H LEU A 69 82.664 8.238 5.479 1.00 0.00 H new ATOM 0 HA LEU A 69 84.083 10.431 4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 69 82.003 9.516 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 69 81.136 9.812 4.672 1.00 0.00 H new ATOM 0 HG LEU A 69 81.871 12.308 4.375 1.00 0.00 H new ATOM 0 HD11 LEU A 69 82.248 12.952 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 69 83.528 11.858 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 69 82.229 11.236 1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 69 79.922 12.731 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 69 79.907 11.014 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 69 79.546 11.481 4.106 1.00 0.00 H new ATOM 1180 N GLN A 70 82.336 11.005 6.894 1.00 0.00 N ATOM 1181 CA GLN A 70 82.234 11.984 8.013 1.00 0.00 C ATOM 1182 C GLN A 70 83.636 12.316 8.536 1.00 0.00 C ATOM 1183 O GLN A 70 83.864 13.357 9.119 1.00 0.00 O ATOM 1184 CB GLN A 70 81.388 11.385 9.145 1.00 0.00 C ATOM 1185 CG GLN A 70 82.219 10.371 9.937 1.00 0.00 C ATOM 1186 CD GLN A 70 82.678 11.003 11.252 1.00 0.00 C ATOM 1187 OE1 GLN A 70 83.847 10.964 11.583 1.00 0.00 O ATOM 1188 NE2 GLN A 70 81.802 11.588 12.024 1.00 0.00 N ATOM 0 H GLN A 70 81.695 10.214 6.948 1.00 0.00 H new ATOM 0 HA GLN A 70 81.759 12.897 7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 70 81.038 12.177 9.807 1.00 0.00 H new ATOM 0 HB3 GLN A 70 80.504 10.900 8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 70 81.627 9.478 10.138 1.00 0.00 H new ATOM 0 HG3 GLN A 70 83.083 10.056 9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 70 80.821 11.622 11.748 1.00 0.00 H new ATOM 0 HE22 GLN A 70 82.099 12.011 12.903 1.00 0.00 H new ATOM 1197 N ARG A 71 84.572 11.428 8.340 1.00 0.00 N ATOM 1198 CA ARG A 71 85.957 11.672 8.833 1.00 0.00 C ATOM 1199 C ARG A 71 86.672 12.678 7.927 1.00 0.00 C ATOM 1200 O ARG A 71 87.361 13.563 8.393 1.00 0.00 O ATOM 1201 CB ARG A 71 86.739 10.359 8.837 1.00 0.00 C ATOM 1202 CG ARG A 71 86.572 9.669 10.193 1.00 0.00 C ATOM 1203 CD ARG A 71 87.206 10.532 11.285 1.00 0.00 C ATOM 1204 NE ARG A 71 88.529 9.961 11.663 1.00 0.00 N ATOM 1205 CZ ARG A 71 89.571 10.169 10.904 1.00 0.00 C ATOM 1206 NH1 ARG A 71 89.776 11.351 10.386 1.00 0.00 N ATOM 1207 NH2 ARG A 71 90.408 9.198 10.664 1.00 0.00 N ATOM 0 H ARG A 71 84.436 10.540 7.857 1.00 0.00 H new ATOM 0 HA ARG A 71 85.903 12.074 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 71 86.381 9.708 8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 71 87.794 10.551 8.642 1.00 0.00 H new ATOM 0 HG2 ARG A 71 85.514 9.513 10.406 1.00 0.00 H new ATOM 0 HG3 ARG A 71 87.042 8.686 10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 71 87.328 11.555 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 71 86.553 10.572 12.157 1.00 0.00 H new ATOM 0 HE ARG A 71 88.621 9.407 12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 71 89.122 12.111 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 71 90.590 11.514 9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 71 90.249 8.276 11.069 1.00 0.00 H new ATOM 0 HH22 ARG A 71 91.222 9.361 10.071 1.00 0.00 H new ATOM 1221 N GLU A 72 86.520 12.549 6.636 1.00 0.00 N ATOM 1222 CA GLU A 72 87.196 13.497 5.708 1.00 0.00 C ATOM 1223 C GLU A 72 86.339 14.740 5.511 1.00 0.00 C ATOM 1224 O GLU A 72 86.518 15.504 4.582 1.00 0.00 O ATOM 1225 CB GLU A 72 87.414 12.820 4.364 1.00 0.00 C ATOM 1226 CG GLU A 72 88.459 11.715 4.512 1.00 0.00 C ATOM 1227 CD GLU A 72 88.892 11.230 3.127 1.00 0.00 C ATOM 1228 OE1 GLU A 72 88.654 11.947 2.170 1.00 0.00 O ATOM 1229 OE2 GLU A 72 89.452 10.149 3.049 1.00 0.00 O ATOM 0 H GLU A 72 85.957 11.828 6.185 1.00 0.00 H new ATOM 0 HA GLU A 72 88.155 13.789 6.136 1.00 0.00 H new ATOM 0 HB2 GLU A 72 86.476 12.401 4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 72 87.745 13.551 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.322 12.088 5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.047 10.885 5.087 1.00 0.00 H new ATOM 1236 N ASP A 73 85.414 14.936 6.383 1.00 0.00 N ATOM 1237 CA ASP A 73 84.515 16.116 6.291 1.00 0.00 C ATOM 1238 C ASP A 73 83.367 15.942 7.290 1.00 0.00 C ATOM 1239 O ASP A 73 82.506 15.107 7.092 1.00 0.00 O ATOM 1240 CB ASP A 73 83.946 16.213 4.875 1.00 0.00 C ATOM 1241 CG ASP A 73 84.716 17.275 4.088 1.00 0.00 C ATOM 1242 OD1 ASP A 73 84.816 18.388 4.576 1.00 0.00 O ATOM 1243 OD2 ASP A 73 85.190 16.957 3.009 1.00 0.00 O ATOM 0 H ASP A 73 85.231 14.321 7.176 1.00 0.00 H new ATOM 0 HA ASP A 73 85.071 17.025 6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 73 84.022 15.248 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 73 82.887 16.470 4.914 1.00 0.00 H new ATOM 1248 N PRO A 74 83.382 16.731 8.334 1.00 0.00 N ATOM 1249 CA PRO A 74 82.342 16.672 9.373 1.00 0.00 C ATOM 1250 C PRO A 74 81.064 17.318 8.849 1.00 0.00 C ATOM 1251 O PRO A 74 79.967 16.947 9.218 1.00 0.00 O ATOM 1252 CB PRO A 74 82.942 17.466 10.536 1.00 0.00 C ATOM 1253 CG PRO A 74 84.021 18.388 9.921 1.00 0.00 C ATOM 1254 CD PRO A 74 84.420 17.755 8.574 1.00 0.00 C ATOM 0 HA PRO A 74 82.073 15.659 9.672 1.00 0.00 H new ATOM 0 HB2 PRO A 74 82.175 18.050 11.044 1.00 0.00 H new ATOM 0 HB3 PRO A 74 83.379 16.798 11.279 1.00 0.00 H new ATOM 0 HG2 PRO A 74 83.633 19.396 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 74 84.884 18.470 10.582 1.00 0.00 H new ATOM 0 HD2 PRO A 74 84.440 18.497 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 74 85.414 17.311 8.621 1.00 0.00 H new ATOM 1262 N GLU A 75 81.203 18.262 7.968 1.00 0.00 N ATOM 1263 CA GLU A 75 80.008 18.918 7.387 1.00 0.00 C ATOM 1264 C GLU A 75 79.383 17.952 6.386 1.00 0.00 C ATOM 1265 O GLU A 75 78.183 17.914 6.200 1.00 0.00 O ATOM 1266 CB GLU A 75 80.420 20.208 6.676 1.00 0.00 C ATOM 1267 CG GLU A 75 79.197 20.830 5.999 1.00 0.00 C ATOM 1268 CD GLU A 75 79.655 21.854 4.959 1.00 0.00 C ATOM 1269 OE1 GLU A 75 80.827 21.838 4.617 1.00 0.00 O ATOM 1270 OE2 GLU A 75 78.828 22.637 4.521 1.00 0.00 O ATOM 0 H GLU A 75 82.098 18.609 7.624 1.00 0.00 H new ATOM 0 HA GLU A 75 79.293 19.168 8.170 1.00 0.00 H new ATOM 0 HB2 GLU A 75 80.849 20.909 7.392 1.00 0.00 H new ATOM 0 HB3 GLU A 75 81.191 19.997 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 75 78.598 20.054 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 75 78.562 21.311 6.743 1.00 0.00 H new ATOM 1277 N ARG A 76 80.199 17.154 5.749 1.00 0.00 N ATOM 1278 CA ARG A 76 79.672 16.171 4.771 1.00 0.00 C ATOM 1279 C ARG A 76 78.923 15.078 5.532 1.00 0.00 C ATOM 1280 O ARG A 76 78.160 14.323 4.964 1.00 0.00 O ATOM 1281 CB ARG A 76 80.832 15.549 3.990 1.00 0.00 C ATOM 1282 CG ARG A 76 81.455 16.604 3.073 1.00 0.00 C ATOM 1283 CD ARG A 76 80.507 16.889 1.905 1.00 0.00 C ATOM 1284 NE ARG A 76 81.292 17.375 0.735 1.00 0.00 N ATOM 1285 CZ ARG A 76 81.148 18.603 0.318 1.00 0.00 C ATOM 1286 NH1 ARG A 76 80.991 19.571 1.178 1.00 0.00 N ATOM 1287 NH2 ARG A 76 81.159 18.863 -0.962 1.00 0.00 N ATOM 0 H ARG A 76 81.212 17.145 5.868 1.00 0.00 H new ATOM 0 HA ARG A 76 78.999 16.667 4.072 1.00 0.00 H new ATOM 0 HB2 ARG A 76 81.583 15.162 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 76 80.476 14.704 3.400 1.00 0.00 H new ATOM 0 HG2 ARG A 76 81.646 17.520 3.632 1.00 0.00 H new ATOM 0 HG3 ARG A 76 82.416 16.253 2.698 1.00 0.00 H new ATOM 0 HD2 ARG A 76 79.959 15.985 1.639 1.00 0.00 H new ATOM 0 HD3 ARG A 76 79.768 17.636 2.196 1.00 0.00 H new ATOM 0 HE ARG A 76 81.942 16.748 0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 76 80.981 19.368 2.178 1.00 0.00 H new ATOM 0 HH12 ARG A 76 80.879 20.531 0.851 1.00 0.00 H new ATOM 0 HH21 ARG A 76 81.280 18.106 -1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 76 81.046 19.823 -1.288 1.00 0.00 H new ATOM 1301 N TYR A 77 79.130 14.994 6.821 1.00 0.00 N ATOM 1302 CA TYR A 77 78.426 13.959 7.620 1.00 0.00 C ATOM 1303 C TYR A 77 77.084 14.508 8.094 1.00 0.00 C ATOM 1304 O TYR A 77 76.563 14.113 9.118 1.00 0.00 O ATOM 1305 CB TYR A 77 79.259 13.578 8.841 1.00 0.00 C ATOM 1306 CG TYR A 77 78.623 12.391 9.521 1.00 0.00 C ATOM 1307 CD1 TYR A 77 78.102 11.340 8.757 1.00 0.00 C ATOM 1308 CD2 TYR A 77 78.555 12.341 10.918 1.00 0.00 C ATOM 1309 CE1 TYR A 77 77.513 10.239 9.390 1.00 0.00 C ATOM 1310 CE2 TYR A 77 77.967 11.239 11.551 1.00 0.00 C ATOM 1311 CZ TYR A 77 77.445 10.188 10.787 1.00 0.00 C ATOM 1312 OH TYR A 77 76.866 9.103 11.411 1.00 0.00 O ATOM 0 H TYR A 77 79.757 15.600 7.351 1.00 0.00 H new ATOM 0 HA TYR A 77 78.273 13.079 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 77 80.279 13.337 8.540 1.00 0.00 H new ATOM 0 HB3 TYR A 77 79.320 14.419 9.532 1.00 0.00 H new ATOM 0 HD1 TYR A 77 78.154 11.379 7.679 1.00 0.00 H new ATOM 0 HD2 TYR A 77 78.956 13.152 11.508 1.00 0.00 H new ATOM 0 HE1 TYR A 77 77.111 9.429 8.800 1.00 0.00 H new ATOM 0 HE2 TYR A 77 77.916 11.200 12.629 1.00 0.00 H new ATOM 0 HH TYR A 77 76.902 9.227 12.382 1.00 0.00 H new ATOM 1322 N ARG A 78 76.528 15.419 7.358 1.00 0.00 N ATOM 1323 CA ARG A 78 75.229 16.016 7.755 1.00 0.00 C ATOM 1324 C ARG A 78 74.391 16.300 6.509 1.00 0.00 C ATOM 1325 O ARG A 78 73.510 17.137 6.522 1.00 0.00 O ATOM 1326 CB ARG A 78 75.473 17.328 8.511 1.00 0.00 C ATOM 1327 CG ARG A 78 76.825 17.278 9.227 1.00 0.00 C ATOM 1328 CD ARG A 78 76.742 16.315 10.411 1.00 0.00 C ATOM 1329 NE ARG A 78 76.739 17.088 11.684 1.00 0.00 N ATOM 1330 CZ ARG A 78 76.385 16.509 12.797 1.00 0.00 C ATOM 1331 NH1 ARG A 78 75.234 15.900 12.880 1.00 0.00 N ATOM 1332 NH2 ARG A 78 77.183 16.537 13.830 1.00 0.00 N ATOM 0 H ARG A 78 76.921 15.780 6.489 1.00 0.00 H new ATOM 0 HA ARG A 78 74.697 15.317 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 78 75.452 18.167 7.816 1.00 0.00 H new ATOM 0 HB3 ARG A 78 74.675 17.494 9.235 1.00 0.00 H new ATOM 0 HG2 ARG A 78 77.603 16.954 8.535 1.00 0.00 H new ATOM 0 HG3 ARG A 78 77.102 18.274 9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 75.838 15.711 10.339 1.00 0.00 H new ATOM 0 HD3 ARG A 78 77.587 15.627 10.393 1.00 0.00 H new ATOM 0 HE ARG A 78 77.014 18.070 11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 78 74.610 15.877 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 78 74.958 15.447 13.751 1.00 0.00 H new ATOM 0 HH21 ARG A 78 78.083 17.012 13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 78 76.906 16.084 14.701 1.00 0.00 H new ATOM 1346 N ALA A 79 74.653 15.616 5.430 1.00 0.00 N ATOM 1347 CA ALA A 79 73.867 15.859 4.198 1.00 0.00 C ATOM 1348 C ALA A 79 73.419 14.537 3.598 1.00 0.00 C ATOM 1349 O ALA A 79 72.254 14.194 3.624 1.00 0.00 O ATOM 1350 CB ALA A 79 74.720 16.627 3.189 1.00 0.00 C ATOM 0 H ALA A 79 75.377 14.902 5.352 1.00 0.00 H new ATOM 0 HA ALA A 79 72.985 16.450 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 79 74.140 16.805 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.022 17.582 3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 79 75.607 16.043 2.943 1.00 0.00 H new ATOM 1356 N LEU A 80 74.330 13.783 3.077 1.00 0.00 N ATOM 1357 CA LEU A 80 73.949 12.471 2.498 1.00 0.00 C ATOM 1358 C LEU A 80 73.430 11.578 3.618 1.00 0.00 C ATOM 1359 O LEU A 80 72.893 10.516 3.379 1.00 0.00 O ATOM 1360 CB LEU A 80 75.165 11.821 1.833 1.00 0.00 C ATOM 1361 CG LEU A 80 74.894 11.638 0.339 1.00 0.00 C ATOM 1362 CD1 LEU A 80 76.116 12.092 -0.462 1.00 0.00 C ATOM 1363 CD2 LEU A 80 74.615 10.162 0.049 1.00 0.00 C ATOM 0 H LEU A 80 75.322 14.014 3.025 1.00 0.00 H new ATOM 0 HA LEU A 80 73.174 12.609 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.048 12.443 1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 80 75.374 10.857 2.296 1.00 0.00 H new ATOM 0 HG LEU A 80 74.029 12.236 0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 80 75.922 11.961 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 80 76.316 13.144 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 80 76.982 11.495 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 80 74.422 10.031 -1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 80 75.480 9.565 0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 80 73.744 9.838 0.619 1.00 0.00 H new ATOM 1375 N ILE A 81 73.557 12.006 4.847 1.00 0.00 N ATOM 1376 CA ILE A 81 73.037 11.171 5.954 1.00 0.00 C ATOM 1377 C ILE A 81 71.513 11.167 5.830 1.00 0.00 C ATOM 1378 O ILE A 81 70.847 10.182 6.077 1.00 0.00 O ATOM 1379 CB ILE A 81 73.507 11.716 7.328 1.00 0.00 C ATOM 1380 CG1 ILE A 81 72.359 12.403 8.074 1.00 0.00 C ATOM 1381 CG2 ILE A 81 74.651 12.703 7.154 1.00 0.00 C ATOM 1382 CD1 ILE A 81 71.536 11.340 8.795 1.00 0.00 C ATOM 0 H ILE A 81 73.993 12.886 5.123 1.00 0.00 H new ATOM 0 HA ILE A 81 73.419 10.152 5.890 1.00 0.00 H new ATOM 0 HB ILE A 81 73.850 10.864 7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 81 72.752 13.125 8.789 1.00 0.00 H new ATOM 0 HG13 ILE A 81 71.732 12.956 7.375 1.00 0.00 H new ATOM 0 HG21 ILE A 81 74.965 13.072 8.130 1.00 0.00 H new ATOM 0 HG22 ILE A 81 75.490 12.205 6.668 1.00 0.00 H new ATOM 0 HG23 ILE A 81 74.319 13.540 6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 81 70.715 11.817 9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 81 71.134 10.635 8.067 1.00 0.00 H new ATOM 0 HD13 ILE A 81 72.170 10.807 9.504 1.00 0.00 H new ATOM 1394 N GLU A 82 70.960 12.264 5.418 1.00 0.00 N ATOM 1395 CA GLU A 82 69.492 12.328 5.251 1.00 0.00 C ATOM 1396 C GLU A 82 69.107 11.717 3.898 1.00 0.00 C ATOM 1397 O GLU A 82 67.942 11.596 3.576 1.00 0.00 O ATOM 1398 CB GLU A 82 69.028 13.785 5.309 1.00 0.00 C ATOM 1399 CG GLU A 82 68.656 14.145 6.749 1.00 0.00 C ATOM 1400 CD GLU A 82 67.508 15.156 6.743 1.00 0.00 C ATOM 1401 OE1 GLU A 82 67.061 15.508 5.664 1.00 0.00 O ATOM 1402 OE2 GLU A 82 67.096 15.561 7.817 1.00 0.00 O ATOM 0 H GLU A 82 71.463 13.121 5.189 1.00 0.00 H new ATOM 0 HA GLU A 82 69.011 11.768 6.053 1.00 0.00 H new ATOM 0 HB2 GLU A 82 69.819 14.444 4.951 1.00 0.00 H new ATOM 0 HB3 GLU A 82 68.170 13.931 4.653 1.00 0.00 H new ATOM 0 HG2 GLU A 82 68.362 13.248 7.295 1.00 0.00 H new ATOM 0 HG3 GLU A 82 69.520 14.563 7.265 1.00 0.00 H new ATOM 1409 N LYS A 83 70.072 11.331 3.098 1.00 0.00 N ATOM 1410 CA LYS A 83 69.735 10.737 1.779 1.00 0.00 C ATOM 1411 C LYS A 83 70.708 9.600 1.440 1.00 0.00 C ATOM 1412 O LYS A 83 71.304 9.583 0.381 1.00 0.00 O ATOM 1413 CB LYS A 83 69.816 11.816 0.698 1.00 0.00 C ATOM 1414 CG LYS A 83 68.535 12.652 0.711 1.00 0.00 C ATOM 1415 CD LYS A 83 68.086 12.923 -0.727 1.00 0.00 C ATOM 1416 CE LYS A 83 66.663 13.483 -0.721 1.00 0.00 C ATOM 1417 NZ LYS A 83 65.690 12.371 -0.920 1.00 0.00 N ATOM 0 H LYS A 83 71.068 11.403 3.304 1.00 0.00 H new ATOM 0 HA LYS A 83 68.723 10.334 1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 83 70.681 12.455 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 83 69.952 11.355 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 83 67.751 12.126 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 83 68.708 13.593 1.233 1.00 0.00 H new ATOM 0 HD2 LYS A 83 68.764 13.631 -1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 83 68.124 12.003 -1.310 1.00 0.00 H new ATOM 0 HE2 LYS A 83 66.464 13.990 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 83 66.550 14.225 -1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 64.722 12.752 -0.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 65.876 11.906 -1.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 65.793 11.678 -0.151 1.00 0.00 H new ATOM 1431 N LEU A 84 70.865 8.642 2.316 1.00 0.00 N ATOM 1432 CA LEU A 84 71.788 7.510 2.013 1.00 0.00 C ATOM 1433 C LEU A 84 71.409 6.264 2.827 1.00 0.00 C ATOM 1434 O LEU A 84 71.578 5.147 2.377 1.00 0.00 O ATOM 1435 CB LEU A 84 73.240 7.918 2.312 1.00 0.00 C ATOM 1436 CG LEU A 84 73.553 7.681 3.787 1.00 0.00 C ATOM 1437 CD1 LEU A 84 73.960 6.221 3.993 1.00 0.00 C ATOM 1438 CD2 LEU A 84 74.700 8.594 4.225 1.00 0.00 C ATOM 0 H LEU A 84 70.398 8.595 3.221 1.00 0.00 H new ATOM 0 HA LEU A 84 71.698 7.267 0.954 1.00 0.00 H new ATOM 0 HB2 LEU A 84 73.924 7.342 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 84 73.390 8.969 2.064 1.00 0.00 H new ATOM 0 HG LEU A 84 72.667 7.902 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 84 74.184 6.051 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 84 73.143 5.569 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 84 74.844 6.002 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 84 74.920 8.422 5.279 1.00 0.00 H new ATOM 0 HD22 LEU A 84 75.586 8.377 3.629 1.00 0.00 H new ATOM 0 HD23 LEU A 84 74.412 9.635 4.080 1.00 0.00 H new ATOM 1450 N GLY A 85 70.916 6.437 4.023 1.00 0.00 N ATOM 1451 CA GLY A 85 70.551 5.250 4.856 1.00 0.00 C ATOM 1452 C GLY A 85 71.554 5.131 6.004 1.00 0.00 C ATOM 1453 O GLY A 85 72.041 4.064 6.321 1.00 0.00 O ATOM 0 H GLY A 85 70.750 7.344 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 85 69.540 5.359 5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 85 70.562 4.345 4.249 1.00 0.00 H new ATOM 1457 N ILE A 86 71.880 6.239 6.603 1.00 0.00 N ATOM 1458 CA ILE A 86 72.861 6.269 7.705 1.00 0.00 C ATOM 1459 C ILE A 86 72.153 6.034 9.051 1.00 0.00 C ATOM 1460 O ILE A 86 72.051 4.915 9.514 1.00 0.00 O ATOM 1461 CB ILE A 86 73.517 7.648 7.641 1.00 0.00 C ATOM 1462 CG1 ILE A 86 74.191 8.020 8.948 1.00 0.00 C ATOM 1463 CG2 ILE A 86 72.457 8.694 7.320 1.00 0.00 C ATOM 1464 CD1 ILE A 86 75.019 6.842 9.469 1.00 0.00 C ATOM 0 H ILE A 86 71.491 7.151 6.362 1.00 0.00 H new ATOM 0 HA ILE A 86 73.611 5.483 7.612 1.00 0.00 H new ATOM 0 HB ILE A 86 74.281 7.615 6.864 1.00 0.00 H new ATOM 0 HG12 ILE A 86 74.833 8.888 8.800 1.00 0.00 H new ATOM 0 HG13 ILE A 86 73.440 8.301 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 86 72.921 9.679 7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 86 71.998 8.463 6.359 1.00 0.00 H new ATOM 0 HG23 ILE A 86 71.693 8.689 8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 86 75.498 7.121 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 86 74.367 5.984 9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 86 75.782 6.581 8.736 1.00 0.00 H new ATOM 1476 N ARG A 87 71.661 7.064 9.683 1.00 0.00 N ATOM 1477 CA ARG A 87 70.971 6.894 10.970 1.00 0.00 C ATOM 1478 C ARG A 87 69.478 6.731 10.711 1.00 0.00 C ATOM 1479 O ARG A 87 69.051 5.862 9.977 1.00 0.00 O ATOM 1480 CB ARG A 87 71.251 8.129 11.831 1.00 0.00 C ATOM 1481 CG ARG A 87 72.747 8.213 12.134 1.00 0.00 C ATOM 1482 CD ARG A 87 72.961 8.247 13.649 1.00 0.00 C ATOM 1483 NE ARG A 87 72.461 9.540 14.193 1.00 0.00 N ATOM 1484 CZ ARG A 87 71.216 9.653 14.570 1.00 0.00 C ATOM 1485 NH1 ARG A 87 70.853 9.238 15.754 1.00 0.00 N ATOM 1486 NH2 ARG A 87 70.335 10.180 13.766 1.00 0.00 N ATOM 0 H ARG A 87 71.714 8.026 9.348 1.00 0.00 H new ATOM 0 HA ARG A 87 71.327 6.008 11.495 1.00 0.00 H new ATOM 0 HB2 ARG A 87 70.924 9.029 11.311 1.00 0.00 H new ATOM 0 HB3 ARG A 87 70.684 8.073 12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 87 73.265 7.356 11.702 1.00 0.00 H new ATOM 0 HG3 ARG A 87 73.172 9.106 11.676 1.00 0.00 H new ATOM 0 HD2 ARG A 87 72.437 7.415 14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 87 74.020 8.128 13.880 1.00 0.00 H new ATOM 0 HE ARG A 87 73.092 10.338 14.271 1.00 0.00 H new ATOM 0 HH11 ARG A 87 71.542 8.826 16.383 1.00 0.00 H new ATOM 0 HH12 ARG A 87 69.881 9.326 16.049 1.00 0.00 H new ATOM 0 HH21 ARG A 87 70.618 10.505 12.841 1.00 0.00 H new ATOM 0 HH22 ARG A 87 69.363 10.268 14.062 1.00 0.00 H new ATOM 1500 N GLY A 88 68.690 7.557 11.305 1.00 0.00 N ATOM 1501 CA GLY A 88 67.216 7.470 11.108 1.00 0.00 C ATOM 1502 C GLY A 88 66.835 8.157 9.796 1.00 0.00 C ATOM 1503 O GLY A 88 67.292 9.268 9.577 1.00 0.00 O ATOM 1504 OXT GLY A 88 66.093 7.563 9.032 1.00 0.00 O ATOM 0 H GLY A 88 68.998 8.303 11.929 1.00 0.00 H new ATOM 0 HA2 GLY A 88 66.902 6.426 11.089 1.00 0.00 H new ATOM 0 HA3 GLY A 88 66.698 7.943 11.942 1.00 0.00 H new