USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 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 63 CYS SG : rot 152:sc= 1.13! USER MOD Set 1.2: A 66 CYS SG : rot -170:sc= -1.52 USER MOD Set 1.3: A 75 ASN : amide:sc= -4.61! K(o=-20!,f=-21) USER MOD Set 1.4: A 92 CYS SG : rot 144:sc= -0.142 USER MOD Set 1.5: A 95 CYS SG : rot 80:sc= -14.5! USER MOD Single : A 23 SER OG : rot -21:sc= 1.11 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 26:sc= 0.799 USER MOD Single : A 37 LYS NZ :NH3+ 144:sc= 0.271 (180deg=0.00545) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.72! C(o=-4.9!,f=-1.7!) USER MOD Single : A 48 GLN : amide:sc= -0.998 X(o=-1,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -164:sc= -0.0139 (180deg=-0.354) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= 0.499 (180deg=-0.728!) USER MOD Single : A 65 LYS NZ :NH3+ -130:sc= -0.198 (180deg=-0.669) USER MOD Single : A 67 HIS : no HD1:sc= -0.0913 K(o=-0.091,f=-2) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-1.4!) USER MOD Single : A 91 LYS NZ :NH3+ 171:sc= -1.24! (180deg=-1.35!) USER MOD Single : A 97 HIS : no HD1:sc= -0.0312 K(o=-0.031,f=-3.3!) USER MOD Single : A 99 MET CE :methyl 155:sc= -0.161 (180deg=-1.04) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N GLU A 16 -18.965 -19.358 0.598 1.00 0.00 N ATOM 24 CA GLU A 16 -19.785 -19.274 -0.596 1.00 0.00 C ATOM 25 C GLU A 16 -20.899 -18.253 -0.381 1.00 0.00 C ATOM 26 O GLU A 16 -21.303 -17.601 -1.335 1.00 0.00 O ATOM 27 CB GLU A 16 -20.367 -20.670 -0.928 1.00 0.00 C ATOM 28 CG GLU A 16 -19.226 -21.641 -1.263 1.00 0.00 C ATOM 29 CD GLU A 16 -18.493 -21.233 -2.545 1.00 0.00 C ATOM 30 OE1 GLU A 16 -19.098 -20.567 -3.374 1.00 0.00 O ATOM 31 OE2 GLU A 16 -17.471 -21.847 -2.824 1.00 0.00 O ATOM 0 HA GLU A 16 -19.177 -18.947 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.940 -21.046 -0.081 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -21.054 -20.597 -1.771 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.519 -21.672 -0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.627 -22.648 -1.378 1.00 0.00 H new ATOM 38 N ARG A 17 -21.478 -18.196 0.829 1.00 0.00 N ATOM 39 CA ARG A 17 -22.635 -17.324 1.059 1.00 0.00 C ATOM 40 C ARG A 17 -22.293 -15.855 0.846 1.00 0.00 C ATOM 41 O ARG A 17 -22.871 -15.197 -0.020 1.00 0.00 O ATOM 42 CB ARG A 17 -23.056 -17.406 2.527 1.00 0.00 C ATOM 43 CG ARG A 17 -23.691 -18.755 2.852 1.00 0.00 C ATOM 44 CD ARG A 17 -24.026 -18.761 4.347 1.00 0.00 C ATOM 45 NE ARG A 17 -24.655 -20.013 4.750 1.00 0.00 N ATOM 46 CZ ARG A 17 -23.948 -21.074 5.152 1.00 0.00 C ATOM 47 NH1 ARG A 17 -22.652 -21.099 5.026 1.00 0.00 N ATOM 48 NH2 ARG A 17 -24.557 -22.142 5.595 1.00 0.00 N ATOM 0 H ARG A 17 -21.172 -18.730 1.643 1.00 0.00 H new ATOM 0 HA ARG A 17 -23.407 -17.655 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -22.187 -17.249 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -23.763 -16.607 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -24.592 -18.908 2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -23.007 -19.568 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -23.115 -18.608 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -24.692 -17.929 4.575 1.00 0.00 H new ATOM 0 HE ARG A 17 -25.672 -20.082 4.724 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -22.164 -20.302 4.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -22.125 -21.915 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -25.576 -22.168 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -24.013 -22.949 5.901 1.00 0.00 H new ATOM 62 N ILE A 18 -21.145 -15.463 1.398 1.00 0.00 N ATOM 63 CA ILE A 18 -20.682 -14.083 1.309 1.00 0.00 C ATOM 64 C ILE A 18 -20.295 -13.802 -0.137 1.00 0.00 C ATOM 65 O ILE A 18 -20.308 -12.648 -0.560 1.00 0.00 O ATOM 66 CB ILE A 18 -19.547 -13.785 2.311 1.00 0.00 C ATOM 67 CG1 ILE A 18 -19.552 -12.295 2.673 1.00 0.00 C ATOM 68 CG2 ILE A 18 -18.168 -14.164 1.760 1.00 0.00 C ATOM 69 CD1 ILE A 18 -20.759 -11.973 3.556 1.00 0.00 C ATOM 0 H ILE A 18 -20.520 -16.084 1.912 1.00 0.00 H new ATOM 0 HA ILE A 18 -21.485 -13.404 1.595 1.00 0.00 H new ATOM 0 HB ILE A 18 -19.731 -14.394 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.631 -12.036 3.195 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -19.584 -11.692 1.765 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -17.404 -13.935 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.147 -15.230 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -17.971 -13.597 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -20.753 -10.912 3.807 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -21.677 -12.214 3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -20.708 -12.563 4.471 1.00 0.00 H new ATOM 81 N ASP A 19 -19.686 -14.798 -0.780 1.00 0.00 N ATOM 82 CA ASP A 19 -19.081 -14.630 -2.097 1.00 0.00 C ATOM 83 C ASP A 19 -20.164 -14.288 -3.120 1.00 0.00 C ATOM 84 O ASP A 19 -19.949 -13.460 -4.010 1.00 0.00 O ATOM 85 CB ASP A 19 -18.464 -15.993 -2.471 1.00 0.00 C ATOM 86 CG ASP A 19 -17.059 -16.168 -1.892 1.00 0.00 C ATOM 87 OD1 ASP A 19 -16.462 -15.183 -1.477 1.00 0.00 O ATOM 88 OD2 ASP A 19 -16.599 -17.301 -1.843 1.00 0.00 O ATOM 0 H ASP A 19 -19.599 -15.741 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.338 -13.833 -2.088 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.108 -16.794 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.422 -16.086 -3.556 1.00 0.00 H new ATOM 93 N ILE A 20 -21.337 -14.891 -2.962 1.00 0.00 N ATOM 94 CA ILE A 20 -22.484 -14.586 -3.809 1.00 0.00 C ATOM 95 C ILE A 20 -22.927 -13.135 -3.638 1.00 0.00 C ATOM 96 O ILE A 20 -23.033 -12.401 -4.608 1.00 0.00 O ATOM 97 CB ILE A 20 -23.648 -15.512 -3.465 1.00 0.00 C ATOM 98 CG1 ILE A 20 -23.304 -16.952 -3.871 1.00 0.00 C ATOM 99 CG2 ILE A 20 -24.893 -15.060 -4.236 1.00 0.00 C ATOM 100 CD1 ILE A 20 -24.330 -17.928 -3.288 1.00 0.00 C ATOM 0 H ILE A 20 -21.519 -15.599 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 20 -22.184 -14.738 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 20 -23.836 -15.473 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -23.288 -17.037 -4.958 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -22.306 -17.208 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -25.729 -15.717 -3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -25.143 -14.037 -3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -24.694 -15.104 -5.307 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -24.074 -18.945 -3.584 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -24.325 -17.854 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -25.323 -17.680 -3.664 1.00 0.00 H new ATOM 112 N LEU A 21 -22.981 -12.714 -2.373 1.00 0.00 N ATOM 113 CA LEU A 21 -23.331 -11.339 -2.032 1.00 0.00 C ATOM 114 C LEU A 21 -22.296 -10.372 -2.597 1.00 0.00 C ATOM 115 O LEU A 21 -22.639 -9.244 -2.922 1.00 0.00 O ATOM 116 CB LEU A 21 -23.520 -11.135 -0.521 1.00 0.00 C ATOM 117 CG LEU A 21 -24.938 -11.570 -0.106 1.00 0.00 C ATOM 118 CD1 LEU A 21 -25.098 -13.097 -0.210 1.00 0.00 C ATOM 119 CD2 LEU A 21 -25.230 -11.130 1.331 1.00 0.00 C ATOM 0 H LEU A 21 -22.786 -13.309 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 21 -24.296 -11.126 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -22.777 -11.714 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -23.362 -10.088 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 21 -25.645 -11.093 -0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -26.108 -13.378 0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -24.923 -13.412 -1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -24.377 -13.584 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -26.236 -11.444 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -24.506 -11.587 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -25.156 -10.045 1.401 1.00 0.00 H new ATOM 131 N PHE A 22 -21.020 -10.749 -2.519 1.00 0.00 N ATOM 132 CA PHE A 22 -19.936 -9.911 -3.020 1.00 0.00 C ATOM 133 C PHE A 22 -20.094 -9.625 -4.512 1.00 0.00 C ATOM 134 O PHE A 22 -19.874 -8.490 -4.937 1.00 0.00 O ATOM 135 CB PHE A 22 -18.602 -10.619 -2.749 1.00 0.00 C ATOM 136 CG PHE A 22 -17.446 -9.778 -3.247 1.00 0.00 C ATOM 137 CD1 PHE A 22 -16.913 -8.770 -2.436 1.00 0.00 C ATOM 138 CD2 PHE A 22 -16.784 -10.140 -4.421 1.00 0.00 C ATOM 139 CE1 PHE A 22 -15.764 -8.071 -2.841 1.00 0.00 C ATOM 140 CE2 PHE A 22 -15.699 -9.381 -4.876 1.00 0.00 C ATOM 141 CZ PHE A 22 -15.156 -8.388 -4.062 1.00 0.00 C ATOM 0 H PHE A 22 -20.713 -11.633 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.962 -8.951 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -18.492 -10.803 -1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -18.592 -11.591 -3.243 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.387 -8.529 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.109 -11.006 -4.979 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.352 -7.294 -2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.283 -9.564 -5.856 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.265 -7.863 -4.373 1.00 0.00 H new ATOM 151 N SER A 23 -20.393 -10.657 -5.305 1.00 0.00 N ATOM 152 CA SER A 23 -20.535 -10.461 -6.746 1.00 0.00 C ATOM 153 C SER A 23 -21.686 -9.503 -7.040 1.00 0.00 C ATOM 154 O SER A 23 -21.625 -8.696 -7.972 1.00 0.00 O ATOM 155 CB SER A 23 -20.757 -11.801 -7.469 1.00 0.00 C ATOM 156 OG SER A 23 -21.914 -12.463 -6.976 1.00 0.00 O ATOM 0 H SER A 23 -20.538 -11.614 -4.982 1.00 0.00 H new ATOM 0 HA SER A 23 -19.609 -10.025 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.862 -11.627 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.884 -12.439 -7.334 1.00 0.00 H new ATOM 0 HG SER A 23 -22.129 -12.124 -6.082 1.00 0.00 H new ATOM 162 N LEU A 24 -22.760 -9.666 -6.274 1.00 0.00 N ATOM 163 CA LEU A 24 -23.945 -8.829 -6.401 1.00 0.00 C ATOM 164 C LEU A 24 -23.626 -7.381 -6.067 1.00 0.00 C ATOM 165 O LEU A 24 -23.968 -6.479 -6.832 1.00 0.00 O ATOM 166 CB LEU A 24 -25.049 -9.335 -5.471 1.00 0.00 C ATOM 167 CG LEU A 24 -25.563 -10.684 -5.985 1.00 0.00 C ATOM 168 CD1 LEU A 24 -26.474 -11.324 -4.930 1.00 0.00 C ATOM 169 CD2 LEU A 24 -26.354 -10.487 -7.289 1.00 0.00 C ATOM 0 H LEU A 24 -22.832 -10.381 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 24 -24.286 -8.882 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -24.666 -9.441 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -25.865 -8.613 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 24 -24.711 -11.336 -6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -26.838 -12.283 -5.298 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -25.912 -11.478 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -27.320 -10.666 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -26.714 -11.452 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -27.203 -9.828 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -25.706 -10.041 -8.044 1.00 0.00 H new ATOM 181 N ALA A 25 -22.835 -7.194 -5.014 1.00 0.00 N ATOM 182 CA ALA A 25 -22.398 -5.862 -4.621 1.00 0.00 C ATOM 183 C ALA A 25 -21.536 -5.231 -5.710 1.00 0.00 C ATOM 184 O ALA A 25 -21.596 -4.023 -5.917 1.00 0.00 O ATOM 185 CB ALA A 25 -21.605 -5.939 -3.318 1.00 0.00 C ATOM 0 H ALA A 25 -22.486 -7.947 -4.421 1.00 0.00 H new ATOM 0 HA ALA A 25 -23.281 -5.241 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -21.281 -4.939 -3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -22.235 -6.357 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -20.732 -6.576 -3.460 1.00 0.00 H new ATOM 191 N GLU A 26 -20.685 -6.020 -6.360 1.00 0.00 N ATOM 192 CA GLU A 26 -19.840 -5.475 -7.414 1.00 0.00 C ATOM 193 C GLU A 26 -20.668 -5.017 -8.613 1.00 0.00 C ATOM 194 O GLU A 26 -20.290 -4.053 -9.272 1.00 0.00 O ATOM 195 CB GLU A 26 -18.841 -6.555 -7.842 1.00 0.00 C ATOM 196 CG GLU A 26 -17.874 -5.997 -8.897 1.00 0.00 C ATOM 197 CD GLU A 26 -16.819 -7.030 -9.308 1.00 0.00 C ATOM 198 OE1 GLU A 26 -17.059 -8.216 -9.144 1.00 0.00 O ATOM 199 OE2 GLU A 26 -15.866 -6.632 -9.958 1.00 0.00 O ATOM 0 H GLU A 26 -20.564 -7.017 -6.180 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.313 -4.601 -7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.281 -6.907 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.375 -7.415 -8.247 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.437 -5.684 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.379 -5.110 -8.503 1.00 0.00 H new ATOM 206 N ARG A 27 -21.640 -5.827 -9.032 1.00 0.00 N ATOM 207 CA ARG A 27 -22.452 -5.471 -10.194 1.00 0.00 C ATOM 208 C ARG A 27 -23.311 -4.235 -9.952 1.00 0.00 C ATOM 209 O ARG A 27 -23.455 -3.404 -10.843 1.00 0.00 O ATOM 210 CB ARG A 27 -23.360 -6.637 -10.593 1.00 0.00 C ATOM 211 CG ARG A 27 -24.139 -6.269 -11.861 1.00 0.00 C ATOM 212 CD ARG A 27 -25.067 -7.423 -12.256 1.00 0.00 C ATOM 213 NE ARG A 27 -25.669 -7.141 -13.555 1.00 0.00 N ATOM 214 CZ ARG A 27 -26.752 -7.794 -13.983 1.00 0.00 C ATOM 215 NH1 ARG A 27 -27.386 -8.615 -13.187 1.00 0.00 N ATOM 216 NH2 ARG A 27 -27.233 -7.584 -15.179 1.00 0.00 N ATOM 0 H ARG A 27 -21.881 -6.716 -8.594 1.00 0.00 H new ATOM 0 HA ARG A 27 -21.753 -5.245 -11.000 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -22.764 -7.533 -10.767 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.052 -6.867 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.722 -5.364 -11.690 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.446 -6.053 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.506 -8.357 -12.298 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.845 -7.552 -11.503 1.00 0.00 H new ATOM 0 HE ARG A 27 -25.252 -6.427 -14.151 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -27.054 -8.759 -12.233 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -28.213 -9.111 -13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.780 -6.913 -15.800 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -28.061 -8.091 -15.492 1.00 0.00 H new ATOM 230 N VAL A 28 -23.939 -4.167 -8.781 1.00 0.00 N ATOM 231 CA VAL A 28 -24.776 -3.027 -8.430 1.00 0.00 C ATOM 232 C VAL A 28 -23.931 -1.761 -8.329 1.00 0.00 C ATOM 233 O VAL A 28 -24.446 -0.663 -8.516 1.00 0.00 O ATOM 234 CB VAL A 28 -25.542 -3.320 -7.134 1.00 0.00 C ATOM 235 CG1 VAL A 28 -24.567 -3.534 -5.977 1.00 0.00 C ATOM 236 CG2 VAL A 28 -26.457 -2.147 -6.780 1.00 0.00 C ATOM 0 H VAL A 28 -23.883 -4.888 -8.061 1.00 0.00 H new ATOM 0 HA VAL A 28 -25.513 -2.859 -9.215 1.00 0.00 H new ATOM 0 HB VAL A 28 -26.135 -4.220 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -25.125 -3.741 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -23.915 -4.378 -6.202 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -23.965 -2.636 -5.838 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -26.994 -2.370 -5.858 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -25.858 -1.247 -6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -27.172 -1.987 -7.587 1.00 0.00 H new ATOM 246 N PHE A 29 -22.705 -1.917 -7.829 1.00 0.00 N ATOM 247 CA PHE A 29 -21.857 -0.783 -7.479 1.00 0.00 C ATOM 248 C PHE A 29 -21.830 0.278 -8.580 1.00 0.00 C ATOM 249 O PHE A 29 -22.183 1.430 -8.325 1.00 0.00 O ATOM 250 CB PHE A 29 -20.439 -1.309 -7.225 1.00 0.00 C ATOM 251 CG PHE A 29 -19.938 -0.835 -5.882 1.00 0.00 C ATOM 252 CD1 PHE A 29 -20.560 -1.282 -4.709 1.00 0.00 C ATOM 253 CD2 PHE A 29 -19.035 0.232 -5.808 1.00 0.00 C ATOM 254 CE1 PHE A 29 -20.614 -0.439 -3.598 1.00 0.00 C ATOM 255 CE2 PHE A 29 -18.910 0.932 -4.615 1.00 0.00 C ATOM 256 CZ PHE A 29 -19.816 0.706 -3.571 1.00 0.00 C ATOM 0 H PHE A 29 -22.277 -2.827 -7.657 1.00 0.00 H new ATOM 0 HA PHE A 29 -22.262 -0.304 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -20.436 -2.398 -7.258 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -19.769 -0.965 -8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -20.994 -2.270 -4.665 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -18.443 0.508 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -21.266 -0.670 -2.768 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -18.114 1.651 -4.492 1.00 0.00 H new ATOM 0 HZ PHE A 29 -19.896 1.409 -2.755 1.00 0.00 H new ATOM 266 N PRO A 30 -21.394 -0.074 -9.807 1.00 0.00 N ATOM 267 CA PRO A 30 -21.433 0.884 -10.950 1.00 0.00 C ATOM 268 C PRO A 30 -22.837 1.336 -11.350 1.00 0.00 C ATOM 269 O PRO A 30 -22.982 2.423 -11.912 1.00 0.00 O ATOM 270 CB PRO A 30 -20.789 0.101 -12.102 1.00 0.00 C ATOM 271 CG PRO A 30 -20.979 -1.338 -11.760 1.00 0.00 C ATOM 272 CD PRO A 30 -20.957 -1.416 -10.236 1.00 0.00 C ATOM 0 HA PRO A 30 -20.922 1.809 -10.684 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -21.261 0.344 -13.054 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.731 0.345 -12.199 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.923 -1.711 -12.156 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.188 -1.950 -12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -21.627 -2.192 -9.866 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.960 -1.650 -9.862 1.00 0.00 H new ATOM 280 N TYR A 31 -23.842 0.472 -11.183 1.00 0.00 N ATOM 281 CA TYR A 31 -25.226 0.872 -11.417 1.00 0.00 C ATOM 282 C TYR A 31 -25.711 1.981 -10.491 1.00 0.00 C ATOM 283 O TYR A 31 -26.316 2.942 -10.959 1.00 0.00 O ATOM 284 CB TYR A 31 -26.159 -0.339 -11.320 1.00 0.00 C ATOM 285 CG TYR A 31 -26.109 -1.135 -12.607 1.00 0.00 C ATOM 286 CD1 TYR A 31 -24.990 -1.897 -12.951 1.00 0.00 C ATOM 287 CD2 TYR A 31 -27.095 -0.911 -13.571 1.00 0.00 C ATOM 288 CE1 TYR A 31 -25.006 -2.665 -14.124 1.00 0.00 C ATOM 289 CE2 TYR A 31 -27.138 -1.703 -14.719 1.00 0.00 C ATOM 290 CZ TYR A 31 -26.074 -2.560 -15.019 1.00 0.00 C ATOM 291 OH TYR A 31 -26.009 -3.203 -16.240 1.00 0.00 O ATOM 0 H TYR A 31 -23.723 -0.498 -10.890 1.00 0.00 H new ATOM 0 HA TYR A 31 -25.251 1.281 -12.427 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -25.864 -0.969 -10.481 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -27.179 -0.008 -11.127 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -24.116 -1.895 -12.316 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -27.823 -0.126 -13.428 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -24.190 -3.340 -14.336 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -27.993 -1.654 -15.376 1.00 0.00 H new ATOM 0 HH TYR A 31 -26.831 -3.031 -16.744 1.00 0.00 H new ATOM 301 N SER A 32 -25.428 1.854 -9.199 1.00 0.00 N ATOM 302 CA SER A 32 -25.942 2.789 -8.209 1.00 0.00 C ATOM 303 C SER A 32 -25.171 2.603 -6.914 1.00 0.00 C ATOM 304 O SER A 32 -25.228 1.533 -6.309 1.00 0.00 O ATOM 305 CB SER A 32 -27.430 2.540 -7.945 1.00 0.00 C ATOM 306 OG SER A 32 -28.199 3.239 -8.913 1.00 0.00 O ATOM 0 H SER A 32 -24.845 1.111 -8.814 1.00 0.00 H new ATOM 0 HA SER A 32 -25.821 3.804 -8.587 1.00 0.00 H new ATOM 0 HB2 SER A 32 -27.646 1.473 -7.993 1.00 0.00 H new ATOM 0 HB3 SER A 32 -27.695 2.875 -6.942 1.00 0.00 H new ATOM 0 HG SER A 32 -27.666 3.363 -9.726 1.00 0.00 H new ATOM 312 N PRO A 33 -24.499 3.639 -6.430 1.00 0.00 N ATOM 313 CA PRO A 33 -23.936 3.616 -5.056 1.00 0.00 C ATOM 314 C PRO A 33 -24.974 3.288 -3.983 1.00 0.00 C ATOM 315 O PRO A 33 -24.868 2.220 -3.387 1.00 0.00 O ATOM 316 CB PRO A 33 -23.371 5.032 -4.890 1.00 0.00 C ATOM 317 CG PRO A 33 -23.129 5.542 -6.268 1.00 0.00 C ATOM 318 CD PRO A 33 -24.185 4.883 -7.149 1.00 0.00 C ATOM 0 HA PRO A 33 -23.189 2.832 -4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -24.073 5.672 -4.355 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -22.447 5.018 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -23.214 6.628 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -22.124 5.289 -6.607 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -25.066 5.515 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -23.805 4.683 -8.151 1.00 0.00 H new ATOM 326 N GLU A 34 -26.156 3.887 -4.106 1.00 0.00 N ATOM 327 CA GLU A 34 -27.199 3.717 -3.105 1.00 0.00 C ATOM 328 C GLU A 34 -27.746 2.289 -3.071 1.00 0.00 C ATOM 329 O GLU A 34 -27.949 1.733 -1.992 1.00 0.00 O ATOM 330 CB GLU A 34 -28.305 4.734 -3.396 1.00 0.00 C ATOM 331 CG GLU A 34 -29.410 4.648 -2.337 1.00 0.00 C ATOM 332 CD GLU A 34 -30.500 5.704 -2.565 1.00 0.00 C ATOM 333 OE1 GLU A 34 -30.170 6.769 -3.063 1.00 0.00 O ATOM 334 OE2 GLU A 34 -31.569 5.562 -1.991 1.00 0.00 O ATOM 0 H GLU A 34 -26.412 4.492 -4.887 1.00 0.00 H new ATOM 0 HA GLU A 34 -26.778 3.893 -2.115 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -27.886 5.740 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -28.726 4.549 -4.384 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -29.857 3.654 -2.357 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -28.976 4.782 -1.346 1.00 0.00 H new ATOM 341 N LEU A 35 -27.933 1.672 -4.239 1.00 0.00 N ATOM 342 CA LEU A 35 -28.397 0.287 -4.296 1.00 0.00 C ATOM 343 C LEU A 35 -27.359 -0.627 -3.646 1.00 0.00 C ATOM 344 O LEU A 35 -27.639 -1.192 -2.587 1.00 0.00 O ATOM 345 CB LEU A 35 -28.645 -0.130 -5.752 1.00 0.00 C ATOM 346 CG LEU A 35 -29.858 0.613 -6.333 1.00 0.00 C ATOM 347 CD1 LEU A 35 -29.939 0.360 -7.844 1.00 0.00 C ATOM 348 CD2 LEU A 35 -31.147 0.123 -5.666 1.00 0.00 C ATOM 0 H LEU A 35 -27.772 2.105 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 35 -29.337 0.200 -3.751 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -27.760 0.084 -6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -28.813 -1.206 -5.803 1.00 0.00 H new ATOM 0 HG LEU A 35 -29.742 1.680 -6.144 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.800 0.887 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.029 0.722 -8.323 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -30.046 -0.709 -8.029 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -32.000 0.657 -6.086 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -31.265 -0.946 -5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -31.095 0.309 -4.593 1.00 0.00 H new ATOM 360 N ALA A 36 -26.098 -0.331 -3.958 1.00 0.00 N ATOM 361 CA ALA A 36 -24.966 -1.072 -3.413 1.00 0.00 C ATOM 362 C ALA A 36 -24.917 -0.915 -1.895 1.00 0.00 C ATOM 363 O ALA A 36 -24.469 -1.814 -1.181 1.00 0.00 O ATOM 364 CB ALA A 36 -23.657 -0.589 -4.043 1.00 0.00 C ATOM 0 H ALA A 36 -25.835 0.424 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 36 -25.093 -2.128 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -22.823 -1.152 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.694 -0.742 -5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -23.521 0.472 -3.831 1.00 0.00 H new ATOM 370 N LYS A 37 -25.295 0.269 -1.414 1.00 0.00 N ATOM 371 CA LYS A 37 -25.160 0.589 0.001 1.00 0.00 C ATOM 372 C LYS A 37 -25.971 -0.398 0.832 1.00 0.00 C ATOM 373 O LYS A 37 -25.402 -1.161 1.623 1.00 0.00 O ATOM 374 CB LYS A 37 -25.860 1.940 0.216 1.00 0.00 C ATOM 375 CG LYS A 37 -25.692 2.448 1.645 1.00 0.00 C ATOM 376 CD LYS A 37 -26.602 3.673 1.823 1.00 0.00 C ATOM 377 CE LYS A 37 -26.042 4.911 1.117 1.00 0.00 C ATOM 378 NZ LYS A 37 -27.026 6.014 1.249 1.00 0.00 N ATOM 0 H LYS A 37 -25.694 1.016 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 37 -24.106 0.577 0.280 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -25.454 2.674 -0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -26.921 1.839 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -25.957 1.669 2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -24.652 2.715 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -27.593 3.448 1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -26.721 3.885 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -25.088 5.200 1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -25.854 4.695 0.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -26.522 6.917 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -27.620 6.053 0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -27.626 5.846 2.082 1.00 0.00 H new ATOM 392 N ARG A 38 -27.215 -0.587 0.391 1.00 0.00 N ATOM 393 CA ARG A 38 -28.131 -1.501 1.058 1.00 0.00 C ATOM 394 C ARG A 38 -27.677 -2.960 0.944 1.00 0.00 C ATOM 395 O ARG A 38 -27.723 -3.673 1.946 1.00 0.00 O ATOM 396 CB ARG A 38 -29.550 -1.312 0.497 1.00 0.00 C ATOM 397 CG ARG A 38 -30.105 0.022 1.010 1.00 0.00 C ATOM 398 CD ARG A 38 -31.515 0.234 0.463 1.00 0.00 C ATOM 399 NE ARG A 38 -31.467 0.425 -0.982 1.00 0.00 N ATOM 400 CZ ARG A 38 -31.235 1.637 -1.498 1.00 0.00 C ATOM 401 NH1 ARG A 38 -31.224 2.691 -0.715 1.00 0.00 N ATOM 402 NH2 ARG A 38 -31.302 1.806 -2.790 1.00 0.00 N ATOM 0 H ARG A 38 -27.608 -0.118 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 38 -28.134 -1.262 2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -29.530 -1.319 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -30.193 -2.135 0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -30.122 0.025 2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -29.456 0.841 0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -32.140 -0.626 0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -31.971 1.103 0.938 1.00 0.00 H new ATOM 0 HE ARG A 38 -31.611 -0.371 -1.603 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -31.392 2.585 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -31.047 3.616 -1.107 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -31.530 1.018 -3.396 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -31.127 2.726 -3.194 1.00 0.00 H new ATOM 416 N TYR A 39 -27.200 -3.383 -0.228 1.00 0.00 N ATOM 417 CA TYR A 39 -26.789 -4.774 -0.395 1.00 0.00 C ATOM 418 C TYR A 39 -25.618 -5.142 0.513 1.00 0.00 C ATOM 419 O TYR A 39 -25.461 -6.314 0.831 1.00 0.00 O ATOM 420 CB TYR A 39 -26.445 -5.085 -1.859 1.00 0.00 C ATOM 421 CG TYR A 39 -27.705 -5.090 -2.704 1.00 0.00 C ATOM 422 CD1 TYR A 39 -28.664 -6.085 -2.490 1.00 0.00 C ATOM 423 CD2 TYR A 39 -28.027 -3.979 -3.506 1.00 0.00 C ATOM 424 CE1 TYR A 39 -29.910 -6.015 -3.115 1.00 0.00 C ATOM 425 CE2 TYR A 39 -29.273 -3.923 -4.154 1.00 0.00 C ATOM 426 CZ TYR A 39 -30.183 -4.979 -4.015 1.00 0.00 C ATOM 427 OH TYR A 39 -31.342 -5.001 -4.765 1.00 0.00 O ATOM 0 H TYR A 39 -27.091 -2.797 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 39 -27.642 -5.386 -0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -25.745 -4.342 -2.241 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -25.950 -6.054 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -28.439 -6.914 -1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -27.319 -3.172 -3.623 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -30.663 -6.760 -2.904 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -29.529 -3.066 -4.759 1.00 0.00 H new ATOM 0 HH TYR A 39 -31.376 -4.207 -5.338 1.00 0.00 H new ATOM 437 N VAL A 40 -24.611 -4.274 0.545 1.00 0.00 N ATOM 438 CA VAL A 40 -23.411 -4.541 1.329 1.00 0.00 C ATOM 439 C VAL A 40 -23.741 -4.570 2.818 1.00 0.00 C ATOM 440 O VAL A 40 -23.242 -5.425 3.539 1.00 0.00 O ATOM 441 CB VAL A 40 -22.312 -3.523 1.010 1.00 0.00 C ATOM 442 CG1 VAL A 40 -21.143 -3.724 1.977 1.00 0.00 C ATOM 443 CG2 VAL A 40 -21.810 -3.752 -0.418 1.00 0.00 C ATOM 0 H VAL A 40 -24.602 -3.387 0.041 1.00 0.00 H new ATOM 0 HA VAL A 40 -23.029 -5.525 1.056 1.00 0.00 H new ATOM 0 HB VAL A 40 -22.711 -2.514 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.358 -3.002 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -21.489 -3.580 3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -20.749 -4.734 1.866 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.028 -3.029 -0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -21.409 -4.762 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.636 -3.628 -1.118 1.00 0.00 H new ATOM 453 N GLU A 41 -24.547 -3.616 3.285 1.00 0.00 N ATOM 454 CA GLU A 41 -24.894 -3.549 4.703 1.00 0.00 C ATOM 455 C GLU A 41 -25.618 -4.827 5.103 1.00 0.00 C ATOM 456 O GLU A 41 -25.238 -5.456 6.088 1.00 0.00 O ATOM 457 CB GLU A 41 -25.799 -2.347 4.980 1.00 0.00 C ATOM 458 CG GLU A 41 -25.012 -1.043 4.789 1.00 0.00 C ATOM 459 CD GLU A 41 -25.891 0.200 4.953 1.00 0.00 C ATOM 460 OE1 GLU A 41 -27.067 0.062 5.249 1.00 0.00 O ATOM 461 OE2 GLU A 41 -25.336 1.286 4.926 1.00 0.00 O ATOM 0 H GLU A 41 -24.967 -2.887 2.709 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.978 -3.439 5.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -26.657 -2.365 4.309 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -26.188 -2.401 5.997 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -24.196 -1.005 5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -24.560 -1.037 3.797 1.00 0.00 H new ATOM 468 N LEU A 42 -26.389 -5.351 4.156 1.00 0.00 N ATOM 469 CA LEU A 42 -26.887 -6.718 4.236 1.00 0.00 C ATOM 470 C LEU A 42 -25.755 -7.738 4.250 1.00 0.00 C ATOM 471 O LEU A 42 -25.735 -8.592 5.127 1.00 0.00 O ATOM 472 CB LEU A 42 -27.792 -6.929 3.024 1.00 0.00 C ATOM 473 CG LEU A 42 -28.274 -8.384 2.884 1.00 0.00 C ATOM 474 CD1 LEU A 42 -29.093 -8.829 4.100 1.00 0.00 C ATOM 475 CD2 LEU A 42 -29.147 -8.482 1.632 1.00 0.00 C ATOM 0 H LEU A 42 -26.683 -4.846 3.320 1.00 0.00 H new ATOM 0 HA LEU A 42 -27.433 -6.863 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -28.657 -6.271 3.104 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -27.254 -6.641 2.121 1.00 0.00 H new ATOM 0 HG LEU A 42 -27.402 -9.034 2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -29.415 -9.861 3.964 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -28.480 -8.756 4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -29.967 -8.187 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -29.500 -9.507 1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -30.002 -7.813 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -28.562 -8.196 0.758 1.00 0.00 H new ATOM 487 N ALA A 43 -24.743 -7.558 3.404 1.00 0.00 N ATOM 488 CA ALA A 43 -23.648 -8.519 3.357 1.00 0.00 C ATOM 489 C ALA A 43 -22.858 -8.545 4.662 1.00 0.00 C ATOM 490 O ALA A 43 -22.518 -9.623 5.135 1.00 0.00 O ATOM 491 CB ALA A 43 -22.704 -8.194 2.196 1.00 0.00 C ATOM 0 H ALA A 43 -24.659 -6.774 2.757 1.00 0.00 H new ATOM 0 HA ALA A 43 -24.090 -9.504 3.208 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -21.891 -8.920 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -23.255 -8.237 1.256 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -22.293 -7.193 2.330 1.00 0.00 H new ATOM 497 N LEU A 44 -22.602 -7.380 5.261 1.00 0.00 N ATOM 498 CA LEU A 44 -21.959 -7.325 6.573 1.00 0.00 C ATOM 499 C LEU A 44 -22.820 -7.974 7.651 1.00 0.00 C ATOM 500 O LEU A 44 -22.296 -8.670 8.516 1.00 0.00 O ATOM 501 CB LEU A 44 -21.635 -5.875 6.954 1.00 0.00 C ATOM 502 CG LEU A 44 -20.310 -5.434 6.308 1.00 0.00 C ATOM 503 CD1 LEU A 44 -20.428 -5.423 4.776 1.00 0.00 C ATOM 504 CD2 LEU A 44 -19.960 -4.014 6.777 1.00 0.00 C ATOM 0 H LEU A 44 -22.828 -6.469 4.861 1.00 0.00 H new ATOM 0 HA LEU A 44 -21.029 -7.890 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -22.442 -5.218 6.629 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -21.567 -5.784 8.038 1.00 0.00 H new ATOM 0 HG LEU A 44 -19.534 -6.139 6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -19.480 -5.108 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -20.675 -6.424 4.423 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -21.213 -4.729 4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -19.021 -3.701 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -20.754 -3.328 6.483 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -19.856 -4.004 7.862 1.00 0.00 H new ATOM 516 N LEU A 45 -24.126 -7.713 7.611 1.00 0.00 N ATOM 517 CA LEU A 45 -25.065 -8.335 8.541 1.00 0.00 C ATOM 518 C LEU A 45 -25.089 -9.847 8.341 1.00 0.00 C ATOM 519 O LEU A 45 -25.302 -10.598 9.285 1.00 0.00 O ATOM 520 CB LEU A 45 -26.471 -7.763 8.339 1.00 0.00 C ATOM 521 CG LEU A 45 -26.568 -6.380 8.998 1.00 0.00 C ATOM 522 CD1 LEU A 45 -27.888 -5.713 8.590 1.00 0.00 C ATOM 523 CD2 LEU A 45 -26.520 -6.521 10.525 1.00 0.00 C ATOM 0 H LEU A 45 -24.557 -7.074 6.943 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.736 -8.118 9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -26.693 -7.685 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -27.213 -8.435 8.771 1.00 0.00 H new ATOM 0 HG LEU A 45 -25.728 -5.768 8.669 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -27.959 -4.731 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -27.920 -5.603 7.506 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -28.724 -6.331 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -26.589 -5.535 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -27.355 -7.137 10.860 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -25.582 -6.992 10.818 1.00 0.00 H new ATOM 535 N VAL A 46 -25.059 -10.268 7.081 1.00 0.00 N ATOM 536 CA VAL A 46 -24.938 -11.682 6.759 1.00 0.00 C ATOM 537 C VAL A 46 -23.606 -12.212 7.287 1.00 0.00 C ATOM 538 O VAL A 46 -23.531 -13.336 7.777 1.00 0.00 O ATOM 539 CB VAL A 46 -25.030 -11.865 5.239 1.00 0.00 C ATOM 540 CG1 VAL A 46 -24.722 -13.321 4.874 1.00 0.00 C ATOM 541 CG2 VAL A 46 -26.442 -11.507 4.755 1.00 0.00 C ATOM 0 H VAL A 46 -25.117 -9.652 6.270 1.00 0.00 H new ATOM 0 HA VAL A 46 -25.746 -12.242 7.229 1.00 0.00 H new ATOM 0 HB VAL A 46 -24.306 -11.208 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -24.788 -13.447 3.793 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -23.716 -13.575 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -25.442 -13.978 5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -26.501 -11.639 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -27.169 -12.158 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -26.660 -10.469 5.006 1.00 0.00 H new ATOM 551 N GLN A 47 -22.543 -11.447 7.056 1.00 0.00 N ATOM 552 CA GLN A 47 -21.185 -11.906 7.318 1.00 0.00 C ATOM 553 C GLN A 47 -20.976 -12.176 8.811 1.00 0.00 C ATOM 554 O GLN A 47 -20.340 -13.169 9.173 1.00 0.00 O ATOM 555 CB GLN A 47 -20.228 -10.802 6.847 1.00 0.00 C ATOM 556 CG GLN A 47 -18.768 -11.214 7.044 1.00 0.00 C ATOM 557 CD GLN A 47 -17.852 -10.071 6.620 1.00 0.00 C ATOM 558 OE1 GLN A 47 -16.972 -10.252 5.671 1.00 0.00 O flip ATOM 559 NE2 GLN A 47 -17.910 -8.994 7.209 1.00 0.00 N flip ATOM 0 H GLN A 47 -22.599 -10.499 6.685 1.00 0.00 H new ATOM 0 HA GLN A 47 -20.998 -12.839 6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.409 -10.585 5.794 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -20.427 -9.884 7.400 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -18.589 -11.468 8.089 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -18.549 -12.106 6.457 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -18.597 -8.854 7.950 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -17.271 -8.240 6.957 1.00 0.00 H new ATOM 568 N GLN A 48 -21.451 -11.273 9.671 1.00 0.00 N ATOM 569 CA GLN A 48 -21.381 -11.490 11.115 1.00 0.00 C ATOM 570 C GLN A 48 -22.267 -12.660 11.560 1.00 0.00 C ATOM 571 O GLN A 48 -21.890 -13.433 12.440 1.00 0.00 O ATOM 572 CB GLN A 48 -21.765 -10.199 11.853 1.00 0.00 C ATOM 573 CG GLN A 48 -23.238 -9.872 11.612 1.00 0.00 C ATOM 574 CD GLN A 48 -23.645 -8.561 12.277 1.00 0.00 C ATOM 575 OE1 GLN A 48 -22.795 -7.758 12.648 1.00 0.00 O ATOM 576 NE2 GLN A 48 -24.890 -8.382 12.630 1.00 0.00 N ATOM 0 H GLN A 48 -21.885 -10.392 9.395 1.00 0.00 H new ATOM 0 HA GLN A 48 -20.355 -11.755 11.369 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -21.580 -10.313 12.921 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -21.141 -9.375 11.508 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.425 -9.809 10.540 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.858 -10.682 11.997 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -25.606 -9.043 12.328 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -25.146 -7.581 13.208 1.00 0.00 H new ATOM 585 N LYS A 49 -23.488 -12.719 11.030 1.00 0.00 N ATOM 586 CA LYS A 49 -24.445 -13.769 11.384 1.00 0.00 C ATOM 587 C LYS A 49 -23.961 -15.155 10.962 1.00 0.00 C ATOM 588 O LYS A 49 -23.919 -16.081 11.772 1.00 0.00 O ATOM 589 CB LYS A 49 -25.795 -13.464 10.731 1.00 0.00 C ATOM 590 CG LYS A 49 -26.412 -12.224 11.385 1.00 0.00 C ATOM 591 CD LYS A 49 -27.747 -11.894 10.718 1.00 0.00 C ATOM 592 CE LYS A 49 -28.362 -10.651 11.372 1.00 0.00 C ATOM 593 NZ LYS A 49 -29.658 -10.321 10.708 1.00 0.00 N ATOM 0 H LYS A 49 -23.841 -12.047 10.349 1.00 0.00 H new ATOM 0 HA LYS A 49 -24.546 -13.779 12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -25.664 -13.297 9.662 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -26.465 -14.317 10.841 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -26.562 -12.400 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -25.731 -11.378 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -27.598 -11.719 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -28.429 -12.739 10.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -28.522 -10.830 12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -27.676 -9.808 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -30.072 -9.478 11.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -29.493 -10.133 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -30.313 -11.122 10.808 1.00 0.00 H new ATOM 607 N ALA A 50 -23.404 -15.229 9.756 1.00 0.00 N ATOM 608 CA ALA A 50 -22.823 -16.467 9.253 1.00 0.00 C ATOM 609 C ALA A 50 -21.513 -16.776 9.969 1.00 0.00 C ATOM 610 O ALA A 50 -20.963 -17.867 9.821 1.00 0.00 O ATOM 611 CB ALA A 50 -22.589 -16.344 7.745 1.00 0.00 C ATOM 0 H ALA A 50 -23.344 -14.443 9.109 1.00 0.00 H new ATOM 0 HA ALA A 50 -23.515 -17.287 9.445 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -22.154 -17.270 7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -23.539 -16.158 7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -21.907 -15.517 7.549 1.00 0.00 H new ATOM 617 N LYS A 51 -20.998 -15.784 10.695 1.00 0.00 N ATOM 618 CA LYS A 51 -19.758 -15.937 11.444 1.00 0.00 C ATOM 619 C LYS A 51 -18.620 -16.376 10.524 1.00 0.00 C ATOM 620 O LYS A 51 -17.862 -17.282 10.861 1.00 0.00 O ATOM 621 CB LYS A 51 -19.953 -16.909 12.618 1.00 0.00 C ATOM 622 CG LYS A 51 -19.192 -16.370 13.830 1.00 0.00 C ATOM 623 CD LYS A 51 -19.496 -17.233 15.055 1.00 0.00 C ATOM 624 CE LYS A 51 -18.718 -16.688 16.258 1.00 0.00 C ATOM 625 NZ LYS A 51 -19.015 -17.510 17.463 1.00 0.00 N ATOM 0 H LYS A 51 -21.426 -14.862 10.778 1.00 0.00 H new ATOM 0 HA LYS A 51 -19.481 -14.969 11.862 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.013 -17.012 12.852 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.587 -17.901 12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.121 -16.371 13.629 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.479 -15.336 14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.566 -17.225 15.264 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.216 -18.269 14.864 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.648 -16.705 16.049 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.991 -15.648 16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -18.485 -17.137 18.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.034 -17.472 17.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -18.733 -18.496 17.289 1.00 0.00 H new ATOM 639 N VAL A 52 -18.359 -15.569 9.495 1.00 0.00 N ATOM 640 CA VAL A 52 -17.288 -15.870 8.548 1.00 0.00 C ATOM 641 C VAL A 52 -16.239 -14.766 8.602 1.00 0.00 C ATOM 642 O VAL A 52 -16.574 -13.596 8.774 1.00 0.00 O ATOM 643 CB VAL A 52 -17.852 -15.991 7.122 1.00 0.00 C ATOM 644 CG1 VAL A 52 -18.634 -17.303 6.973 1.00 0.00 C ATOM 645 CG2 VAL A 52 -18.799 -14.815 6.827 1.00 0.00 C ATOM 0 H VAL A 52 -18.871 -14.709 9.298 1.00 0.00 H new ATOM 0 HA VAL A 52 -16.829 -16.821 8.820 1.00 0.00 H new ATOM 0 HB VAL A 52 -17.018 -15.978 6.420 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -19.029 -17.378 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.971 -18.146 7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -19.459 -17.318 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -19.193 -14.910 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -19.624 -14.824 7.540 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -18.252 -13.876 6.917 1.00 0.00 H new ATOM 655 N LYS A 53 -14.984 -15.179 8.733 1.00 0.00 N ATOM 656 CA LYS A 53 -13.875 -14.237 8.772 1.00 0.00 C ATOM 657 C LYS A 53 -13.458 -13.892 7.349 1.00 0.00 C ATOM 658 O LYS A 53 -13.197 -14.791 6.554 1.00 0.00 O ATOM 659 CB LYS A 53 -12.697 -14.869 9.519 1.00 0.00 C ATOM 660 CG LYS A 53 -13.061 -15.064 10.993 1.00 0.00 C ATOM 661 CD LYS A 53 -11.893 -15.707 11.744 1.00 0.00 C ATOM 662 CE LYS A 53 -12.267 -15.887 13.219 1.00 0.00 C ATOM 663 NZ LYS A 53 -11.132 -16.521 13.939 1.00 0.00 N ATOM 0 H LYS A 53 -14.710 -16.158 8.814 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.182 -13.328 9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.441 -15.828 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.817 -14.232 9.434 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.309 -14.103 11.444 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -13.947 -15.693 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.649 -16.672 11.300 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.004 -15.082 11.657 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.503 -14.922 13.667 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.160 -16.506 13.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.382 -16.645 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.927 -17.449 13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.291 -15.914 13.865 1.00 0.00 H new ATOM 677 N ILE A 54 -13.153 -12.619 7.119 1.00 0.00 N ATOM 678 CA ILE A 54 -12.599 -12.196 5.839 1.00 0.00 C ATOM 679 C ILE A 54 -11.478 -11.182 6.085 1.00 0.00 C ATOM 680 O ILE A 54 -11.741 -10.087 6.580 1.00 0.00 O ATOM 681 CB ILE A 54 -13.731 -11.559 5.018 1.00 0.00 C ATOM 682 CG1 ILE A 54 -14.689 -12.629 4.471 1.00 0.00 C ATOM 683 CG2 ILE A 54 -13.147 -10.799 3.826 1.00 0.00 C ATOM 684 CD1 ILE A 54 -15.677 -13.092 5.546 1.00 0.00 C ATOM 0 H ILE A 54 -13.279 -11.868 7.797 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.184 -13.044 5.295 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.275 -10.884 5.679 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -15.237 -12.228 3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -14.116 -13.482 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.956 -10.350 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -12.480 -10.016 4.185 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -12.589 -11.489 3.193 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -16.341 -13.849 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.128 -13.516 6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.266 -12.242 5.889 1.00 0.00 H new ATOM 696 N PRO A 55 -10.208 -11.591 5.937 1.00 0.00 N ATOM 697 CA PRO A 55 -9.053 -10.680 6.177 1.00 0.00 C ATOM 698 C PRO A 55 -8.981 -9.484 5.228 1.00 0.00 C ATOM 699 O PRO A 55 -8.461 -8.434 5.610 1.00 0.00 O ATOM 700 CB PRO A 55 -7.828 -11.587 6.023 1.00 0.00 C ATOM 701 CG PRO A 55 -8.270 -12.751 5.205 1.00 0.00 C ATOM 702 CD PRO A 55 -9.773 -12.909 5.444 1.00 0.00 C ATOM 0 HA PRO A 55 -9.133 -10.212 7.158 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.010 -11.057 5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.461 -11.913 6.996 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.061 -12.583 4.148 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.734 -13.655 5.496 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.294 -13.182 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.979 -13.693 6.173 1.00 0.00 H new ATOM 710 N ARG A 56 -9.459 -9.639 3.993 1.00 0.00 N ATOM 711 CA ARG A 56 -9.250 -8.610 2.976 1.00 0.00 C ATOM 712 C ARG A 56 -10.506 -8.343 2.140 1.00 0.00 C ATOM 713 O ARG A 56 -10.742 -7.200 1.749 1.00 0.00 O ATOM 714 CB ARG A 56 -8.049 -8.972 2.100 1.00 0.00 C ATOM 715 CG ARG A 56 -6.764 -8.834 2.934 1.00 0.00 C ATOM 716 CD ARG A 56 -5.539 -9.216 2.101 1.00 0.00 C ATOM 717 NE ARG A 56 -4.321 -9.073 2.902 1.00 0.00 N ATOM 718 CZ ARG A 56 -3.594 -7.946 2.950 1.00 0.00 C ATOM 719 NH1 ARG A 56 -3.727 -7.022 2.031 1.00 0.00 N ATOM 720 NH2 ARG A 56 -2.600 -7.851 3.803 1.00 0.00 N ATOM 0 H ARG A 56 -9.985 -10.454 3.677 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.033 -7.675 3.492 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.148 -9.991 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.006 -8.317 1.230 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.663 -7.809 3.290 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.825 -9.473 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.634 -10.244 1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.479 -8.582 1.217 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.009 -9.873 3.453 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.389 -7.154 1.267 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.168 -6.170 2.080 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.384 -8.631 4.424 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.043 -6.997 3.845 1.00 0.00 H new ATOM 734 N LYS A 57 -11.255 -9.384 1.763 1.00 0.00 N ATOM 735 CA LYS A 57 -12.211 -9.234 0.662 1.00 0.00 C ATOM 736 C LYS A 57 -13.309 -8.219 0.973 1.00 0.00 C ATOM 737 O LYS A 57 -13.929 -7.717 0.038 1.00 0.00 O ATOM 738 CB LYS A 57 -12.897 -10.562 0.321 1.00 0.00 C ATOM 739 CG LYS A 57 -11.911 -11.557 -0.297 1.00 0.00 C ATOM 740 CD LYS A 57 -12.663 -12.862 -0.581 1.00 0.00 C ATOM 741 CE LYS A 57 -11.710 -13.923 -1.148 1.00 0.00 C ATOM 742 NZ LYS A 57 -11.157 -13.450 -2.437 1.00 0.00 N ATOM 0 H LYS A 57 -11.222 -10.311 2.188 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.618 -8.883 -0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -13.332 -10.991 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.718 -10.382 -0.373 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.490 -11.153 -1.218 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.078 -11.738 0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.122 -13.231 0.337 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.471 -12.676 -1.289 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.902 -14.116 -0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.240 -14.865 -1.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.737 -14.252 -2.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.919 -13.033 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -10.426 -12.732 -2.259 1.00 0.00 H new ATOM 756 N TRP A 58 -13.838 -8.283 2.192 1.00 0.00 N ATOM 757 CA TRP A 58 -14.763 -7.244 2.639 1.00 0.00 C ATOM 758 C TRP A 58 -14.096 -6.201 3.528 1.00 0.00 C ATOM 759 O TRP A 58 -14.410 -5.018 3.430 1.00 0.00 O ATOM 760 CB TRP A 58 -15.956 -7.877 3.369 1.00 0.00 C ATOM 761 CG TRP A 58 -17.103 -8.022 2.421 1.00 0.00 C ATOM 762 CD1 TRP A 58 -17.490 -9.179 1.837 1.00 0.00 C ATOM 763 CD2 TRP A 58 -17.806 -6.960 1.718 1.00 0.00 C ATOM 764 NE1 TRP A 58 -18.536 -8.907 0.977 1.00 0.00 N ATOM 765 CE2 TRP A 58 -18.704 -7.548 0.791 1.00 0.00 C ATOM 766 CE3 TRP A 58 -17.573 -5.579 1.631 1.00 0.00 C ATOM 767 CZ2 TRP A 58 -19.284 -6.784 -0.228 1.00 0.00 C ATOM 768 CZ3 TRP A 58 -18.060 -4.846 0.536 1.00 0.00 C ATOM 769 CH2 TRP A 58 -18.883 -5.462 -0.415 1.00 0.00 C ATOM 0 H TRP A 58 -13.650 -9.020 2.871 1.00 0.00 H new ATOM 0 HA TRP A 58 -15.111 -6.724 1.747 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -15.676 -8.852 3.769 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -16.248 -7.257 4.217 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -17.055 -10.151 2.013 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -19.113 -9.621 0.534 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -17.017 -5.077 2.409 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -20.039 -7.217 -0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -17.799 -3.804 0.427 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -19.205 -4.916 -1.289 1.00 0.00 H new ATOM 780 N LYS A 59 -13.096 -6.627 4.293 1.00 0.00 N ATOM 781 CA LYS A 59 -12.464 -5.748 5.270 1.00 0.00 C ATOM 782 C LYS A 59 -11.763 -4.573 4.583 1.00 0.00 C ATOM 783 O LYS A 59 -11.721 -3.475 5.122 1.00 0.00 O ATOM 784 CB LYS A 59 -11.468 -6.570 6.092 1.00 0.00 C ATOM 785 CG LYS A 59 -10.879 -5.708 7.214 1.00 0.00 C ATOM 786 CD LYS A 59 -9.943 -6.555 8.078 1.00 0.00 C ATOM 787 CE LYS A 59 -9.357 -5.721 9.225 1.00 0.00 C ATOM 788 NZ LYS A 59 -8.471 -6.576 10.058 1.00 0.00 N ATOM 0 H LYS A 59 -12.708 -7.570 4.256 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.226 -5.328 5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.966 -7.443 6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.670 -6.939 5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.334 -4.865 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.680 -5.294 7.827 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.487 -7.408 8.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.136 -6.955 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.794 -4.877 8.825 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.160 -5.308 9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.074 -6.011 10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.021 -7.367 10.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.698 -6.950 9.472 1.00 0.00 H new ATOM 802 N ARG A 60 -11.038 -4.867 3.507 1.00 0.00 N ATOM 803 CA ARG A 60 -10.216 -3.864 2.834 1.00 0.00 C ATOM 804 C ARG A 60 -10.946 -3.254 1.644 1.00 0.00 C ATOM 805 O ARG A 60 -10.350 -2.486 0.892 1.00 0.00 O ATOM 806 CB ARG A 60 -8.874 -4.472 2.397 1.00 0.00 C ATOM 807 CG ARG A 60 -8.077 -4.915 3.630 1.00 0.00 C ATOM 808 CD ARG A 60 -7.682 -3.698 4.476 1.00 0.00 C ATOM 809 NE ARG A 60 -6.706 -2.888 3.745 1.00 0.00 N ATOM 810 CZ ARG A 60 -5.395 -3.152 3.761 1.00 0.00 C ATOM 811 NH1 ARG A 60 -4.888 -3.980 4.634 1.00 0.00 N ATOM 812 NH2 ARG A 60 -4.575 -2.496 2.984 1.00 0.00 N ATOM 0 H ARG A 60 -11.003 -5.793 3.081 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.018 -3.062 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -9.047 -5.324 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.302 -3.740 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.673 -5.604 4.228 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.183 -5.455 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.564 -3.101 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -7.260 -4.025 5.426 1.00 0.00 H new ATOM 0 HE ARG A 60 -7.039 -2.091 3.202 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.494 -4.436 5.316 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.886 -4.171 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -4.933 -1.775 2.358 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.577 -2.705 3.004 1.00 0.00 H new ATOM 826 N ARG A 61 -12.165 -3.717 1.378 1.00 0.00 N ATOM 827 CA ARG A 61 -12.875 -3.325 0.162 1.00 0.00 C ATOM 828 C ARG A 61 -14.116 -2.485 0.456 1.00 0.00 C ATOM 829 O ARG A 61 -15.081 -2.602 -0.286 1.00 0.00 O ATOM 830 CB ARG A 61 -13.219 -4.540 -0.716 1.00 0.00 C ATOM 831 CG ARG A 61 -11.925 -5.099 -1.315 1.00 0.00 C ATOM 832 CD ARG A 61 -12.227 -6.322 -2.190 1.00 0.00 C ATOM 833 NE ARG A 61 -10.990 -6.856 -2.764 1.00 0.00 N ATOM 834 CZ ARG A 61 -10.528 -6.457 -3.955 1.00 0.00 C ATOM 835 NH1 ARG A 61 -11.002 -5.376 -4.518 1.00 0.00 N ATOM 836 NH2 ARG A 61 -9.422 -6.968 -4.426 1.00 0.00 N ATOM 0 H ARG A 61 -12.679 -4.359 1.982 1.00 0.00 H new ATOM 0 HA ARG A 61 -12.190 -2.693 -0.403 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.721 -5.304 -0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.907 -4.249 -1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.431 -4.331 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.237 -5.376 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.721 -7.090 -1.595 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.916 -6.045 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.464 -7.554 -2.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.727 -4.833 -4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.647 -5.076 -5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.914 -7.669 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.067 -6.666 -5.333 1.00 0.00 H new ATOM 850 N TYR A 62 -14.203 -1.839 1.623 1.00 0.00 N ATOM 851 CA TYR A 62 -15.441 -1.139 1.969 1.00 0.00 C ATOM 852 C TYR A 62 -15.178 0.159 2.728 1.00 0.00 C ATOM 853 O TYR A 62 -14.066 0.417 3.182 1.00 0.00 O ATOM 854 CB TYR A 62 -16.357 -2.052 2.803 1.00 0.00 C ATOM 855 CG TYR A 62 -15.996 -2.042 4.275 1.00 0.00 C ATOM 856 CD1 TYR A 62 -14.743 -2.484 4.714 1.00 0.00 C ATOM 857 CD2 TYR A 62 -16.797 -1.313 5.162 1.00 0.00 C ATOM 858 CE1 TYR A 62 -14.415 -2.393 6.075 1.00 0.00 C ATOM 859 CE2 TYR A 62 -16.585 -1.432 6.534 1.00 0.00 C ATOM 860 CZ TYR A 62 -15.380 -1.967 6.996 1.00 0.00 C ATOM 861 OH TYR A 62 -15.077 -1.908 8.341 1.00 0.00 O ATOM 0 H TYR A 62 -13.460 -1.786 2.320 1.00 0.00 H new ATOM 0 HA TYR A 62 -15.935 -0.881 1.032 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -17.392 -1.731 2.683 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -16.293 -3.072 2.423 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -14.033 -2.892 4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -17.573 -0.663 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.422 -2.651 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -17.344 -1.114 7.233 1.00 0.00 H new ATOM 0 HH TYR A 62 -15.859 -1.591 8.839 1.00 0.00 H new ATOM 871 N CYS A 63 -16.183 1.036 2.696 1.00 0.00 N ATOM 872 CA CYS A 63 -16.125 2.315 3.396 1.00 0.00 C ATOM 873 C CYS A 63 -16.559 2.136 4.844 1.00 0.00 C ATOM 874 O CYS A 63 -17.578 1.495 5.092 1.00 0.00 O ATOM 875 CB CYS A 63 -17.037 3.357 2.732 1.00 0.00 C ATOM 876 SG CYS A 63 -17.166 4.859 3.748 1.00 0.00 S ATOM 0 H CYS A 63 -17.053 0.879 2.187 1.00 0.00 H new ATOM 0 HA CYS A 63 -15.095 2.669 3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -16.645 3.613 1.748 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -18.029 2.932 2.579 1.00 0.00 H new ATOM 0 HG CYS A 63 -17.390 5.884 2.981 1.00 0.00 H new ATOM 881 N LYS A 64 -16.045 3.026 5.686 1.00 0.00 N ATOM 882 CA LYS A 64 -16.399 3.043 7.103 1.00 0.00 C ATOM 883 C LYS A 64 -17.892 3.341 7.272 1.00 0.00 C ATOM 884 O LYS A 64 -18.534 2.782 8.158 1.00 0.00 O ATOM 885 CB LYS A 64 -15.561 4.123 7.813 1.00 0.00 C ATOM 886 CG LYS A 64 -14.068 3.749 7.794 1.00 0.00 C ATOM 887 CD LYS A 64 -13.255 4.806 8.536 1.00 0.00 C ATOM 888 CE LYS A 64 -13.235 6.121 7.746 1.00 0.00 C ATOM 889 NZ LYS A 64 -12.278 7.056 8.390 1.00 0.00 N ATOM 0 H LYS A 64 -15.379 3.748 5.411 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.191 2.068 7.543 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.707 5.085 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.900 4.236 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.923 2.774 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.719 3.666 6.765 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.683 4.975 9.524 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.236 4.450 8.687 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.942 5.935 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -14.232 6.561 7.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -11.770 7.592 7.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.797 7.715 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.595 6.516 8.959 1.00 0.00 H new ATOM 903 N LYS A 65 -18.410 4.267 6.460 1.00 0.00 N ATOM 904 CA LYS A 65 -19.816 4.656 6.514 1.00 0.00 C ATOM 905 C LYS A 65 -20.642 4.164 5.327 1.00 0.00 C ATOM 906 O LYS A 65 -21.754 3.695 5.574 1.00 0.00 O ATOM 907 CB LYS A 65 -20.003 6.169 6.695 1.00 0.00 C ATOM 908 CG LYS A 65 -21.507 6.424 6.844 1.00 0.00 C ATOM 909 CD LYS A 65 -21.796 7.902 7.121 1.00 0.00 C ATOM 910 CE LYS A 65 -23.304 8.116 7.285 1.00 0.00 C ATOM 911 NZ LYS A 65 -24.014 7.726 6.037 1.00 0.00 N ATOM 0 H LYS A 65 -17.868 4.763 5.752 1.00 0.00 H new ATOM 0 HA LYS A 65 -20.199 4.150 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -19.464 6.521 7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -19.604 6.711 5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -22.022 6.115 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -21.902 5.815 7.657 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -21.274 8.221 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -21.420 8.515 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.674 7.525 8.123 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.508 9.161 7.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -24.659 8.490 5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.320 7.558 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -24.560 6.857 6.205 1.00 0.00 H new ATOM 925 N CYS A 66 -20.072 3.946 4.137 1.00 0.00 N ATOM 926 CA CYS A 66 -20.963 3.458 3.084 1.00 0.00 C ATOM 927 C CYS A 66 -21.400 2.047 3.463 1.00 0.00 C ATOM 928 O CYS A 66 -22.471 1.612 3.046 1.00 0.00 O ATOM 929 CB CYS A 66 -20.352 3.252 1.692 1.00 0.00 C ATOM 930 SG CYS A 66 -19.506 4.631 0.881 1.00 0.00 S ATOM 0 H CYS A 66 -19.092 4.084 3.892 1.00 0.00 H new ATOM 0 HA CYS A 66 -21.730 4.230 3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -19.641 2.429 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -21.152 2.923 1.029 1.00 0.00 H new ATOM 0 HG CYS A 66 -19.252 4.318 -0.355 1.00 0.00 H new ATOM 935 N HIS A 67 -20.462 1.268 4.017 1.00 0.00 N ATOM 936 CA HIS A 67 -20.686 -0.158 4.237 1.00 0.00 C ATOM 937 C HIS A 67 -20.832 -0.837 2.881 1.00 0.00 C ATOM 938 O HIS A 67 -21.957 -1.218 2.578 1.00 0.00 O ATOM 939 CB HIS A 67 -21.893 -0.384 5.149 1.00 0.00 C ATOM 940 CG HIS A 67 -21.518 0.024 6.547 1.00 0.00 C ATOM 941 ND1 HIS A 67 -22.481 0.362 7.480 1.00 0.00 N ATOM 942 CD2 HIS A 67 -20.316 0.377 7.122 1.00 0.00 C ATOM 943 CE1 HIS A 67 -21.834 0.694 8.612 1.00 0.00 C ATOM 944 NE2 HIS A 67 -20.548 0.952 8.368 1.00 0.00 N ATOM 0 H HIS A 67 -19.547 1.603 4.318 1.00 0.00 H new ATOM 0 HA HIS A 67 -19.836 -0.603 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -22.746 0.199 4.800 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -22.193 -1.432 5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -19.344 0.230 6.675 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -22.294 0.745 9.588 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -19.886 1.455 8.959 1.00 0.00 H new ATOM 953 N ALA A 68 -20.077 -0.225 1.973 1.00 0.00 N ATOM 954 CA ALA A 68 -20.170 -0.457 0.536 1.00 0.00 C ATOM 955 C ALA A 68 -18.785 -0.694 -0.053 1.00 0.00 C ATOM 956 O ALA A 68 -17.853 0.009 0.336 1.00 0.00 O ATOM 957 CB ALA A 68 -20.808 0.752 -0.132 1.00 0.00 C ATOM 0 H ALA A 68 -19.366 0.463 2.223 1.00 0.00 H new ATOM 0 HA ALA A 68 -20.783 -1.341 0.359 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.878 0.580 -1.206 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -21.807 0.908 0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -20.197 1.635 0.055 1.00 0.00 H new ATOM 963 N PHE A 69 -18.758 -1.325 -1.225 1.00 0.00 N ATOM 964 CA PHE A 69 -17.499 -1.659 -1.885 1.00 0.00 C ATOM 965 C PHE A 69 -16.730 -0.362 -2.141 1.00 0.00 C ATOM 966 O PHE A 69 -17.363 0.682 -2.270 1.00 0.00 O ATOM 967 CB PHE A 69 -17.780 -2.306 -3.251 1.00 0.00 C ATOM 968 CG PHE A 69 -16.668 -3.252 -3.662 1.00 0.00 C ATOM 969 CD1 PHE A 69 -15.333 -2.818 -3.742 1.00 0.00 C ATOM 970 CD2 PHE A 69 -16.955 -4.603 -3.895 1.00 0.00 C ATOM 971 CE1 PHE A 69 -14.356 -3.665 -4.282 1.00 0.00 C ATOM 972 CE2 PHE A 69 -16.045 -5.357 -4.651 1.00 0.00 C ATOM 973 CZ PHE A 69 -14.721 -4.914 -4.789 1.00 0.00 C ATOM 0 H PHE A 69 -19.592 -1.615 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 69 -16.933 -2.344 -1.254 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -18.724 -2.850 -3.209 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -17.894 -1.528 -4.006 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -15.061 -1.834 -3.388 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -17.855 -5.053 -3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.322 -3.352 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -16.362 -6.274 -5.125 1.00 0.00 H new ATOM 0 HZ PHE A 69 -13.989 -5.535 -5.284 1.00 0.00 H new ATOM 983 N LEU A 70 -15.447 -0.345 -1.770 1.00 0.00 N ATOM 984 CA LEU A 70 -14.654 0.867 -1.952 1.00 0.00 C ATOM 985 C LEU A 70 -14.032 0.812 -3.344 1.00 0.00 C ATOM 986 O LEU A 70 -13.174 -0.025 -3.608 1.00 0.00 O ATOM 987 CB LEU A 70 -13.560 0.948 -0.877 1.00 0.00 C ATOM 988 CG LEU A 70 -13.277 2.414 -0.512 1.00 0.00 C ATOM 989 CD1 LEU A 70 -13.056 3.286 -1.751 1.00 0.00 C ATOM 990 CD2 LEU A 70 -14.449 2.976 0.310 1.00 0.00 C ATOM 0 H LEU A 70 -14.950 -1.132 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 70 -15.282 1.753 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.872 0.399 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.648 0.474 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 70 -12.359 2.436 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.860 4.313 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.204 2.907 -2.315 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -13.947 3.259 -2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -14.247 4.016 0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -15.365 2.919 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -14.566 2.392 1.223 1.00 0.00 H new ATOM 1002 N VAL A 71 -14.660 1.537 -4.267 1.00 0.00 N ATOM 1003 CA VAL A 71 -14.161 1.642 -5.632 1.00 0.00 C ATOM 1004 C VAL A 71 -14.225 3.102 -6.070 1.00 0.00 C ATOM 1005 O VAL A 71 -15.316 3.673 -6.093 1.00 0.00 O ATOM 1006 CB VAL A 71 -14.998 0.791 -6.600 1.00 0.00 C ATOM 1007 CG1 VAL A 71 -14.170 0.476 -7.850 1.00 0.00 C ATOM 1008 CG2 VAL A 71 -15.435 -0.519 -5.938 1.00 0.00 C ATOM 0 H VAL A 71 -15.517 2.061 -4.092 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.134 1.276 -5.654 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.889 1.356 -6.874 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -14.763 -0.128 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.883 1.406 -8.340 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -13.274 -0.075 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -16.026 -1.104 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.554 -1.089 -5.643 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -16.037 -0.298 -5.056 1.00 0.00 H new ATOM 1018 N PRO A 72 -13.083 3.783 -6.250 1.00 0.00 N ATOM 1019 CA PRO A 72 -13.102 5.203 -6.702 1.00 0.00 C ATOM 1020 C PRO A 72 -13.725 5.360 -8.081 1.00 0.00 C ATOM 1021 O PRO A 72 -13.475 4.560 -8.981 1.00 0.00 O ATOM 1022 CB PRO A 72 -11.632 5.623 -6.703 1.00 0.00 C ATOM 1023 CG PRO A 72 -10.905 4.614 -5.880 1.00 0.00 C ATOM 1024 CD PRO A 72 -11.709 3.315 -5.971 1.00 0.00 C ATOM 0 HA PRO A 72 -13.713 5.825 -6.048 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -11.237 5.653 -7.719 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.514 6.623 -6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -9.891 4.469 -6.252 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -10.821 4.946 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -11.336 2.666 -6.764 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.659 2.745 -5.043 1.00 0.00 H new ATOM 1032 N GLY A 73 -14.437 6.469 -8.247 1.00 0.00 N ATOM 1033 CA GLY A 73 -15.169 6.762 -9.470 1.00 0.00 C ATOM 1034 C GLY A 73 -16.611 6.273 -9.350 1.00 0.00 C ATOM 1035 O GLY A 73 -17.404 6.529 -10.254 1.00 0.00 O ATOM 0 H GLY A 73 -14.522 7.192 -7.533 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.156 7.835 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -14.683 6.280 -10.318 1.00 0.00 H new ATOM 1039 N ILE A 74 -16.836 5.324 -8.435 1.00 0.00 N ATOM 1040 CA ILE A 74 -18.007 4.450 -8.538 1.00 0.00 C ATOM 1041 C ILE A 74 -19.065 4.838 -7.503 1.00 0.00 C ATOM 1042 O ILE A 74 -19.981 5.578 -7.833 1.00 0.00 O ATOM 1043 CB ILE A 74 -17.613 2.982 -8.339 1.00 0.00 C ATOM 1044 CG1 ILE A 74 -16.423 2.617 -9.244 1.00 0.00 C ATOM 1045 CG2 ILE A 74 -18.802 2.077 -8.673 1.00 0.00 C ATOM 1046 CD1 ILE A 74 -16.716 2.847 -10.738 1.00 0.00 C ATOM 0 H ILE A 74 -16.236 5.144 -7.630 1.00 0.00 H new ATOM 0 HA ILE A 74 -18.423 4.573 -9.538 1.00 0.00 H new ATOM 0 HB ILE A 74 -17.323 2.838 -7.298 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.556 3.210 -8.953 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.161 1.571 -9.087 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.517 1.035 -8.530 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.638 2.318 -8.017 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -19.098 2.233 -9.710 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.841 2.572 -11.327 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -17.564 2.233 -11.041 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -16.950 3.898 -10.905 1.00 0.00 H new ATOM 1058 N ASN A 75 -18.833 4.523 -6.225 1.00 0.00 N ATOM 1059 CA ASN A 75 -19.639 5.075 -5.136 1.00 0.00 C ATOM 1060 C ASN A 75 -18.866 6.146 -4.382 1.00 0.00 C ATOM 1061 O ASN A 75 -19.299 6.641 -3.336 1.00 0.00 O ATOM 1062 CB ASN A 75 -19.981 3.934 -4.182 1.00 0.00 C ATOM 1063 CG ASN A 75 -18.840 3.661 -3.199 1.00 0.00 C ATOM 1064 OD1 ASN A 75 -19.069 3.553 -2.000 1.00 0.00 O ATOM 1065 ND2 ASN A 75 -17.602 3.639 -3.616 1.00 0.00 N ATOM 0 H ASN A 75 -18.094 3.889 -5.921 1.00 0.00 H new ATOM 0 HA ASN A 75 -20.542 5.530 -5.543 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -20.887 4.181 -3.629 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -20.193 3.031 -4.755 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.840 3.533 -2.946 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -17.397 3.728 -4.611 1.00 0.00 H new ATOM 1072 N ALA A 76 -17.662 6.395 -4.875 1.00 0.00 N ATOM 1073 CA ALA A 76 -16.737 7.277 -4.190 1.00 0.00 C ATOM 1074 C ALA A 76 -15.743 7.829 -5.194 1.00 0.00 C ATOM 1075 O ALA A 76 -15.714 7.346 -6.324 1.00 0.00 O ATOM 1076 CB ALA A 76 -16.000 6.533 -3.081 1.00 0.00 C ATOM 0 H ALA A 76 -17.306 5.999 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 76 -17.296 8.095 -3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -15.312 7.214 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -16.721 6.150 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -15.440 5.702 -3.510 1.00 0.00 H new ATOM 1082 N ARG A 77 -15.205 9.008 -4.917 1.00 0.00 N ATOM 1083 CA ARG A 77 -14.293 9.625 -5.868 1.00 0.00 C ATOM 1084 C ARG A 77 -12.968 9.939 -5.193 1.00 0.00 C ATOM 1085 O ARG A 77 -12.948 10.510 -4.105 1.00 0.00 O ATOM 1086 CB ARG A 77 -14.921 10.881 -6.481 1.00 0.00 C ATOM 1087 CG ARG A 77 -14.122 11.342 -7.705 1.00 0.00 C ATOM 1088 CD ARG A 77 -14.799 12.563 -8.335 1.00 0.00 C ATOM 1089 NE ARG A 77 -14.760 13.714 -7.434 1.00 0.00 N ATOM 1090 CZ ARG A 77 -15.367 14.863 -7.736 1.00 0.00 C ATOM 1091 NH1 ARG A 77 -16.057 14.970 -8.841 1.00 0.00 N ATOM 1092 NH2 ARG A 77 -15.167 15.917 -6.994 1.00 0.00 N ATOM 0 H ARG A 77 -15.377 9.544 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.101 8.924 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -15.952 10.675 -6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -14.951 11.678 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -13.102 11.591 -7.413 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -14.057 10.534 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -14.302 12.814 -9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.834 12.323 -8.578 1.00 0.00 H new ATOM 0 HE ARG A 77 -14.255 13.636 -6.551 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.132 14.174 -9.474 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.520 15.849 -9.070 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.548 15.861 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.630 16.797 -7.222 1.00 0.00 H new ATOM 1106 N VAL A 78 -11.874 9.607 -5.875 1.00 0.00 N ATOM 1107 CA VAL A 78 -10.550 9.849 -5.314 1.00 0.00 C ATOM 1108 C VAL A 78 -9.725 10.685 -6.284 1.00 0.00 C ATOM 1109 O VAL A 78 -9.844 10.545 -7.500 1.00 0.00 O ATOM 1110 CB VAL A 78 -9.831 8.535 -4.986 1.00 0.00 C ATOM 1111 CG1 VAL A 78 -9.344 7.862 -6.269 1.00 0.00 C ATOM 1112 CG2 VAL A 78 -8.628 8.800 -4.056 1.00 0.00 C ATOM 0 H VAL A 78 -11.877 9.177 -6.800 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.669 10.398 -4.380 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.536 7.875 -4.481 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.835 6.930 -6.021 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.196 7.649 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.652 8.526 -6.788 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.127 7.858 -3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.928 9.475 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.978 9.255 -3.129 1.00 0.00 H new ATOM 1122 N ARG A 79 -9.089 11.710 -5.733 1.00 0.00 N ATOM 1123 CA ARG A 79 -8.166 12.536 -6.498 1.00 0.00 C ATOM 1124 C ARG A 79 -6.770 12.362 -5.917 1.00 0.00 C ATOM 1125 O ARG A 79 -6.591 12.458 -4.702 1.00 0.00 O ATOM 1126 CB ARG A 79 -8.611 13.999 -6.415 1.00 0.00 C ATOM 1127 CG ARG A 79 -7.726 14.902 -7.277 1.00 0.00 C ATOM 1128 CD ARG A 79 -8.235 16.347 -7.191 1.00 0.00 C ATOM 1129 NE ARG A 79 -8.103 16.844 -5.824 1.00 0.00 N ATOM 1130 CZ ARG A 79 -8.556 18.046 -5.459 1.00 0.00 C ATOM 1131 NH1 ARG A 79 -9.206 18.791 -6.312 1.00 0.00 N ATOM 1132 NH2 ARG A 79 -8.548 18.385 -4.194 1.00 0.00 N ATOM 0 H ARG A 79 -9.196 11.989 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 79 -8.158 12.238 -7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.648 14.085 -6.741 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.574 14.334 -5.378 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -6.692 14.848 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -7.739 14.561 -8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.669 16.981 -7.873 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.278 16.393 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.650 16.254 -5.126 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -9.369 18.455 -7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.550 19.708 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -8.197 17.732 -3.493 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -8.893 19.302 -3.910 1.00 0.00 H new ATOM 1146 N LEU A 80 -5.800 12.083 -6.782 1.00 0.00 N ATOM 1147 CA LEU A 80 -4.442 11.825 -6.324 1.00 0.00 C ATOM 1148 C LEU A 80 -3.570 13.011 -6.727 1.00 0.00 C ATOM 1149 O LEU A 80 -3.397 13.274 -7.913 1.00 0.00 O ATOM 1150 CB LEU A 80 -3.945 10.520 -6.967 1.00 0.00 C ATOM 1151 CG LEU A 80 -4.968 9.405 -6.717 1.00 0.00 C ATOM 1152 CD1 LEU A 80 -6.053 9.450 -7.795 1.00 0.00 C ATOM 1153 CD2 LEU A 80 -4.275 8.034 -6.761 1.00 0.00 C ATOM 0 H LEU A 80 -5.928 12.030 -7.793 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.401 11.710 -5.241 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.800 10.662 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.978 10.241 -6.549 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.416 9.554 -5.735 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.778 8.657 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.557 10.416 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.598 9.309 -8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.010 7.249 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.819 7.888 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.504 7.991 -5.992 1.00 0.00 H new ATOM 1165 N ARG A 81 -2.966 13.670 -5.737 1.00 0.00 N ATOM 1166 CA ARG A 81 -2.059 14.787 -5.992 1.00 0.00 C ATOM 1167 C ARG A 81 -0.609 14.383 -5.788 1.00 0.00 C ATOM 1168 O ARG A 81 -0.238 13.945 -4.701 1.00 0.00 O ATOM 1169 CB ARG A 81 -2.396 15.994 -5.107 1.00 0.00 C ATOM 1170 CG ARG A 81 -3.720 16.621 -5.552 1.00 0.00 C ATOM 1171 CD ARG A 81 -4.063 17.802 -4.638 1.00 0.00 C ATOM 1172 NE ARG A 81 -5.319 18.416 -5.076 1.00 0.00 N ATOM 1173 CZ ARG A 81 -5.327 19.413 -5.970 1.00 0.00 C ATOM 1174 NH1 ARG A 81 -4.272 19.663 -6.689 1.00 0.00 N ATOM 1175 NH2 ARG A 81 -6.341 20.232 -6.036 1.00 0.00 N ATOM 0 H ARG A 81 -3.090 13.448 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.194 15.074 -7.035 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -2.465 15.682 -4.065 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.597 16.733 -5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.645 16.958 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.516 15.877 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -4.154 17.462 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.259 18.538 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.202 18.078 -4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.431 19.098 -6.574 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.286 20.424 -7.368 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.133 20.115 -5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.341 20.989 -6.719 1.00 0.00 H new ATOM 1189 N GLN A 82 0.223 14.820 -6.730 1.00 0.00 N ATOM 1190 CA GLN A 82 1.648 14.520 -6.691 1.00 0.00 C ATOM 1191 C GLN A 82 2.418 15.834 -6.603 1.00 0.00 C ATOM 1192 O GLN A 82 3.214 16.176 -7.478 1.00 0.00 O ATOM 1193 CB GLN A 82 2.028 13.739 -7.959 1.00 0.00 C ATOM 1194 CG GLN A 82 1.379 12.354 -7.922 1.00 0.00 C ATOM 1195 CD GLN A 82 1.689 11.612 -9.219 1.00 0.00 C ATOM 1196 OE1 GLN A 82 1.293 12.067 -10.291 1.00 0.00 O ATOM 1197 NE2 GLN A 82 2.167 10.399 -9.164 1.00 0.00 N ATOM 0 H GLN A 82 -0.067 15.383 -7.529 1.00 0.00 H new ATOM 0 HA GLN A 82 1.895 13.909 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.699 14.282 -8.845 1.00 0.00 H new ATOM 0 HB3 GLN A 82 3.112 13.642 -8.028 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.753 11.788 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.301 12.449 -7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.496 10.020 -8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.212 9.830 -10.009 1.00 0.00 H new ATOM 1206 N LYS A 83 2.247 16.493 -5.463 1.00 0.00 N ATOM 1207 CA LYS A 83 3.223 17.430 -4.926 1.00 0.00 C ATOM 1208 C LYS A 83 4.270 16.598 -4.192 1.00 0.00 C ATOM 1209 O LYS A 83 4.071 15.383 -4.108 1.00 0.00 O ATOM 1210 CB LYS A 83 2.509 18.371 -3.951 1.00 0.00 C ATOM 1211 CG LYS A 83 1.494 19.212 -4.736 1.00 0.00 C ATOM 1212 CD LYS A 83 0.732 20.155 -3.802 1.00 0.00 C ATOM 1213 CE LYS A 83 -0.292 20.965 -4.605 1.00 0.00 C ATOM 1214 NZ LYS A 83 -1.052 21.871 -3.701 1.00 0.00 N ATOM 0 H LYS A 83 1.417 16.390 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 83 3.692 18.029 -5.706 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.004 17.798 -3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.231 19.018 -3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.010 19.790 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.792 18.556 -5.250 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.227 19.582 -3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.429 20.827 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.216 21.548 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.978 20.291 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.743 22.415 -4.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.551 21.307 -2.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.394 22.525 -3.231 1.00 0.00 H new ATOM 1228 N ARG A 84 5.414 17.151 -3.768 1.00 0.00 N ATOM 1229 CA ARG A 84 6.280 16.286 -2.967 1.00 0.00 C ATOM 1230 C ARG A 84 5.732 16.358 -1.545 1.00 0.00 C ATOM 1231 O ARG A 84 6.494 16.370 -0.576 1.00 0.00 O ATOM 1232 CB ARG A 84 7.678 16.928 -2.940 1.00 0.00 C ATOM 1233 CG ARG A 84 8.305 16.947 -4.337 1.00 0.00 C ATOM 1234 CD ARG A 84 9.659 17.662 -4.244 1.00 0.00 C ATOM 1235 NE ARG A 84 10.304 17.734 -5.559 1.00 0.00 N ATOM 1236 CZ ARG A 84 10.272 18.845 -6.306 1.00 0.00 C ATOM 1237 NH1 ARG A 84 9.426 19.806 -6.043 1.00 0.00 N ATOM 1238 NH2 ARG A 84 11.012 18.920 -7.382 1.00 0.00 N ATOM 0 H ARG A 84 5.739 18.102 -3.945 1.00 0.00 H new ATOM 0 HA ARG A 84 6.321 15.268 -3.355 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.606 17.946 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 84 8.322 16.375 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.436 15.931 -4.709 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.651 17.462 -5.041 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.517 18.668 -3.848 1.00 0.00 H new ATOM 0 HD3 ARG A 84 10.307 17.133 -3.545 1.00 0.00 H new ATOM 0 HE ARG A 84 10.792 16.912 -5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.779 19.715 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.413 20.646 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.608 18.136 -7.647 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.993 19.763 -7.956 1.00 0.00 H new ATOM 1252 N MET A 85 4.459 15.984 -1.449 1.00 0.00 N ATOM 1253 CA MET A 85 3.821 15.383 -0.288 1.00 0.00 C ATOM 1254 C MET A 85 2.706 14.472 -0.783 1.00 0.00 C ATOM 1255 O MET A 85 1.713 15.011 -1.275 1.00 0.00 O ATOM 1256 CB MET A 85 3.240 16.492 0.596 1.00 0.00 C ATOM 1257 CG MET A 85 2.673 17.632 -0.263 1.00 0.00 C ATOM 1258 SD MET A 85 3.095 19.224 0.487 1.00 0.00 S ATOM 1259 CE MET A 85 1.434 19.660 1.060 1.00 0.00 C ATOM 0 H MET A 85 3.810 16.100 -2.227 1.00 0.00 H new ATOM 0 HA MET A 85 4.540 14.808 0.296 1.00 0.00 H new ATOM 0 HB2 MET A 85 2.454 16.083 1.231 1.00 0.00 H new ATOM 0 HB3 MET A 85 4.015 16.880 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.078 17.576 -1.273 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.591 17.534 -0.347 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.465 20.627 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 85 0.758 19.715 0.207 1.00 0.00 H new ATOM 0 HE3 MET A 85 1.078 18.901 1.756 1.00 0.00 H new ATOM 1269 N PRO A 86 2.844 13.142 -0.849 1.00 0.00 N ATOM 1270 CA PRO A 86 1.750 12.353 -1.481 1.00 0.00 C ATOM 1271 C PRO A 86 0.441 12.532 -0.710 1.00 0.00 C ATOM 1272 O PRO A 86 0.439 12.582 0.519 1.00 0.00 O ATOM 1273 CB PRO A 86 2.248 10.906 -1.410 1.00 0.00 C ATOM 1274 CG PRO A 86 3.721 10.978 -1.178 1.00 0.00 C ATOM 1275 CD PRO A 86 4.009 12.311 -0.485 1.00 0.00 C ATOM 0 HA PRO A 86 1.536 12.665 -2.503 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.754 10.364 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.026 10.373 -2.335 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.054 10.144 -0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.262 10.911 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.097 12.192 0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.943 12.752 -0.834 1.00 0.00 H new ATOM 1283 N HIS A 87 -0.673 12.602 -1.434 1.00 0.00 N ATOM 1284 CA HIS A 87 -1.968 12.856 -0.806 1.00 0.00 C ATOM 1285 C HIS A 87 -3.121 12.481 -1.732 1.00 0.00 C ATOM 1286 O HIS A 87 -3.167 12.903 -2.889 1.00 0.00 O ATOM 1287 CB HIS A 87 -2.084 14.329 -0.398 1.00 0.00 C ATOM 1288 CG HIS A 87 -3.427 14.567 0.247 1.00 0.00 C ATOM 1289 ND1 HIS A 87 -3.713 14.044 1.498 1.00 0.00 N ATOM 1290 CD2 HIS A 87 -4.381 15.541 0.034 1.00 0.00 C ATOM 1291 CE1 HIS A 87 -4.801 14.677 1.967 1.00 0.00 C ATOM 1292 NE2 HIS A 87 -5.309 15.526 1.074 1.00 0.00 N ATOM 0 H HIS A 87 -0.707 12.488 -2.447 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.031 12.230 0.084 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.284 14.590 0.295 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.970 14.970 -1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.405 16.213 -0.811 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.215 14.517 2.951 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.183 16.049 1.137 1.00 0.00 H new ATOM 1301 N ILE A 88 -4.125 11.820 -1.166 1.00 0.00 N ATOM 1302 CA ILE A 88 -5.339 11.507 -1.914 1.00 0.00 C ATOM 1303 C ILE A 88 -6.568 11.953 -1.124 1.00 0.00 C ATOM 1304 O ILE A 88 -6.499 12.057 0.099 1.00 0.00 O ATOM 1305 CB ILE A 88 -5.430 10.009 -2.221 1.00 0.00 C ATOM 1306 CG1 ILE A 88 -5.524 9.188 -0.926 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -4.176 9.586 -3.005 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -5.833 7.727 -1.269 1.00 0.00 C ATOM 0 H ILE A 88 -4.124 11.493 -0.200 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.302 12.046 -2.861 1.00 0.00 H new ATOM 0 HB ILE A 88 -6.328 9.823 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.587 9.253 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.303 9.594 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -4.229 8.521 -3.229 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.121 10.151 -3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.288 9.786 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.900 7.144 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.781 7.672 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.038 7.325 -1.897 1.00 0.00 H new ATOM 1320 N VAL A 89 -7.606 12.409 -1.824 1.00 0.00 N ATOM 1321 CA VAL A 89 -8.858 12.776 -1.165 1.00 0.00 C ATOM 1322 C VAL A 89 -9.996 11.867 -1.623 1.00 0.00 C ATOM 1323 O VAL A 89 -10.329 11.803 -2.807 1.00 0.00 O ATOM 1324 CB VAL A 89 -9.210 14.240 -1.461 1.00 0.00 C ATOM 1325 CG1 VAL A 89 -8.263 15.158 -0.680 1.00 0.00 C ATOM 1326 CG2 VAL A 89 -9.075 14.553 -2.956 1.00 0.00 C ATOM 0 H VAL A 89 -7.606 12.532 -2.837 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.723 12.653 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 89 -10.244 14.407 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -8.511 16.199 -0.889 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.369 14.967 0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.234 14.962 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.331 15.597 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.048 14.372 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.749 13.912 -3.524 1.00 0.00 H new ATOM 1336 N VAL A 90 -10.709 11.316 -0.647 1.00 0.00 N ATOM 1337 CA VAL A 90 -11.736 10.316 -0.923 1.00 0.00 C ATOM 1338 C VAL A 90 -13.068 10.808 -0.373 1.00 0.00 C ATOM 1339 O VAL A 90 -13.223 10.909 0.843 1.00 0.00 O ATOM 1340 CB VAL A 90 -11.369 8.965 -0.287 1.00 0.00 C ATOM 1341 CG1 VAL A 90 -12.552 7.987 -0.320 1.00 0.00 C ATOM 1342 CG2 VAL A 90 -10.185 8.351 -1.043 1.00 0.00 C ATOM 0 H VAL A 90 -10.596 11.544 0.341 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.811 10.171 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.103 9.143 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.256 7.043 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -13.390 8.411 0.232 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.850 7.811 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.924 7.393 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -10.459 8.199 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.329 9.024 -0.987 1.00 0.00 H new ATOM 1352 N LYS A 91 -14.088 10.738 -1.219 1.00 0.00 N ATOM 1353 CA LYS A 91 -15.448 11.031 -0.794 1.00 0.00 C ATOM 1354 C LYS A 91 -16.384 9.988 -1.387 1.00 0.00 C ATOM 1355 O LYS A 91 -16.377 9.787 -2.598 1.00 0.00 O ATOM 1356 CB LYS A 91 -15.918 12.446 -1.192 1.00 0.00 C ATOM 1357 CG LYS A 91 -15.404 12.927 -2.560 1.00 0.00 C ATOM 1358 CD LYS A 91 -13.893 13.187 -2.534 1.00 0.00 C ATOM 1359 CE LYS A 91 -13.415 13.700 -3.896 1.00 0.00 C ATOM 1360 NZ LYS A 91 -11.950 13.960 -3.850 1.00 0.00 N ATOM 0 H LYS A 91 -13.998 10.481 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 91 -15.466 10.996 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -17.008 12.464 -1.200 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.593 13.152 -0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.632 12.179 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.926 13.840 -2.845 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -13.657 13.917 -1.760 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -13.364 12.269 -2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.639 12.967 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -13.948 14.614 -4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.603 14.160 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.762 14.778 -3.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.461 13.124 -3.472 1.00 0.00 H new ATOM 1374 N CYS A 92 -17.359 9.552 -0.592 1.00 0.00 N ATOM 1375 CA CYS A 92 -18.327 8.586 -1.093 1.00 0.00 C ATOM 1376 C CYS A 92 -19.669 9.263 -1.328 1.00 0.00 C ATOM 1377 O CYS A 92 -20.241 9.818 -0.396 1.00 0.00 O ATOM 1378 CB CYS A 92 -18.511 7.417 -0.128 1.00 0.00 C ATOM 1379 SG CYS A 92 -17.885 7.831 1.517 1.00 0.00 S ATOM 0 H CYS A 92 -17.497 9.844 0.376 1.00 0.00 H new ATOM 0 HA CYS A 92 -17.940 8.194 -2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -19.567 7.156 -0.064 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -17.989 6.540 -0.510 1.00 0.00 H new ATOM 0 HG CYS A 92 -18.649 7.292 2.420 1.00 0.00 H new ATOM 1384 N LEU A 93 -20.296 8.896 -2.439 1.00 0.00 N ATOM 1385 CA LEU A 93 -21.659 9.326 -2.733 1.00 0.00 C ATOM 1386 C LEU A 93 -22.638 8.777 -1.691 1.00 0.00 C ATOM 1387 O LEU A 93 -23.680 9.391 -1.451 1.00 0.00 O ATOM 1388 CB LEU A 93 -22.026 8.876 -4.152 1.00 0.00 C ATOM 1389 CG LEU A 93 -21.186 9.685 -5.150 1.00 0.00 C ATOM 1390 CD1 LEU A 93 -21.315 9.085 -6.555 1.00 0.00 C ATOM 1391 CD2 LEU A 93 -21.661 11.146 -5.164 1.00 0.00 C ATOM 0 H LEU A 93 -19.881 8.299 -3.154 1.00 0.00 H new ATOM 0 HA LEU A 93 -21.723 10.413 -2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -21.835 7.810 -4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -23.089 9.033 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 93 -20.140 9.649 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -20.715 9.666 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -20.962 8.054 -6.544 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -22.359 9.108 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -21.062 11.717 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -22.709 11.185 -5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -21.549 11.574 -4.168 1.00 0.00 H new ATOM 1403 N GLU A 94 -22.453 7.508 -1.314 1.00 0.00 N ATOM 1404 CA GLU A 94 -23.433 6.812 -0.478 1.00 0.00 C ATOM 1405 C GLU A 94 -23.472 7.410 0.928 1.00 0.00 C ATOM 1406 O GLU A 94 -24.546 7.671 1.457 1.00 0.00 O ATOM 1407 CB GLU A 94 -23.106 5.323 -0.353 1.00 0.00 C ATOM 1408 CG GLU A 94 -23.262 4.646 -1.714 1.00 0.00 C ATOM 1409 CD GLU A 94 -22.940 3.155 -1.614 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -22.845 2.690 -0.492 1.00 0.00 O ATOM 1411 OE2 GLU A 94 -22.378 2.642 -2.569 1.00 0.00 O ATOM 0 H GLU A 94 -21.641 6.947 -1.572 1.00 0.00 H new ATOM 0 HA GLU A 94 -24.401 6.933 -0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -22.088 5.194 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.769 4.855 0.375 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -24.281 4.780 -2.078 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -22.600 5.119 -2.439 1.00 0.00 H new ATOM 1418 N CYS A 95 -22.295 7.726 1.480 1.00 0.00 N ATOM 1419 CA CYS A 95 -22.216 8.545 2.693 1.00 0.00 C ATOM 1420 C CYS A 95 -22.457 10.033 2.436 1.00 0.00 C ATOM 1421 O CYS A 95 -23.345 10.596 3.072 1.00 0.00 O ATOM 1422 CB CYS A 95 -20.870 8.359 3.415 1.00 0.00 C ATOM 1423 SG CYS A 95 -20.604 6.611 3.818 1.00 0.00 S ATOM 0 H CYS A 95 -21.392 7.430 1.109 1.00 0.00 H new ATOM 0 HA CYS A 95 -23.023 8.188 3.333 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -20.058 8.721 2.783 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -20.854 8.955 4.327 1.00 0.00 H new ATOM 0 HG CYS A 95 -20.183 5.981 2.761 1.00 0.00 H new ATOM 1428 N GLY A 96 -22.003 10.525 1.284 1.00 0.00 N ATOM 1429 CA GLY A 96 -22.032 11.959 0.991 1.00 0.00 C ATOM 1430 C GLY A 96 -20.900 12.719 1.682 1.00 0.00 C ATOM 1431 O GLY A 96 -20.952 13.944 1.819 1.00 0.00 O ATOM 0 H GLY A 96 -21.610 9.952 0.537 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -21.961 12.108 -0.086 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -22.990 12.372 1.308 1.00 0.00 H new ATOM 1435 N HIS A 97 -19.918 11.975 2.172 1.00 0.00 N ATOM 1436 CA HIS A 97 -18.913 12.502 3.095 1.00 0.00 C ATOM 1437 C HIS A 97 -17.507 12.285 2.555 1.00 0.00 C ATOM 1438 O HIS A 97 -17.286 11.399 1.733 1.00 0.00 O ATOM 1439 CB HIS A 97 -19.034 11.866 4.481 1.00 0.00 C ATOM 1440 CG HIS A 97 -20.260 12.377 5.185 1.00 0.00 C ATOM 1441 ND1 HIS A 97 -21.544 11.915 4.922 1.00 0.00 N ATOM 1442 CD2 HIS A 97 -20.390 13.334 6.167 1.00 0.00 C ATOM 1443 CE1 HIS A 97 -22.356 12.517 5.809 1.00 0.00 C ATOM 1444 NE2 HIS A 97 -21.737 13.489 6.484 1.00 0.00 N ATOM 0 H HIS A 97 -19.793 10.989 1.943 1.00 0.00 H new ATOM 0 HA HIS A 97 -19.097 13.572 3.188 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.086 10.781 4.387 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -18.146 12.093 5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -19.575 13.879 6.620 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -23.391 12.245 5.958 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -22.157 14.189 7.095 1.00 0.00 H new ATOM 1453 N ILE A 98 -16.619 13.209 2.908 1.00 0.00 N ATOM 1454 CA ILE A 98 -15.253 13.200 2.398 1.00 0.00 C ATOM 1455 C ILE A 98 -14.239 12.884 3.493 1.00 0.00 C ATOM 1456 O ILE A 98 -14.446 13.226 4.655 1.00 0.00 O ATOM 1457 CB ILE A 98 -14.907 14.558 1.778 1.00 0.00 C ATOM 1458 CG1 ILE A 98 -13.495 14.499 1.177 1.00 0.00 C ATOM 1459 CG2 ILE A 98 -14.973 15.653 2.848 1.00 0.00 C ATOM 1460 CD1 ILE A 98 -13.194 15.740 0.318 1.00 0.00 C ATOM 0 H ILE A 98 -16.823 13.977 3.548 1.00 0.00 H new ATOM 0 HA ILE A 98 -15.200 12.418 1.641 1.00 0.00 H new ATOM 0 HB ILE A 98 -15.626 14.790 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -12.760 14.424 1.979 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -13.395 13.601 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -14.726 16.615 2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.979 15.695 3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -14.261 15.429 3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -12.186 15.664 -0.091 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -13.913 15.800 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -13.269 16.636 0.934 1.00 0.00 H new ATOM 1472 N MET A 99 -13.394 11.912 3.174 1.00 0.00 N ATOM 1473 CA MET A 99 -12.234 11.570 3.989 1.00 0.00 C ATOM 1474 C MET A 99 -10.949 11.838 3.214 1.00 0.00 C ATOM 1475 O MET A 99 -10.821 11.441 2.059 1.00 0.00 O ATOM 1476 CB MET A 99 -12.329 10.099 4.401 1.00 0.00 C ATOM 1477 CG MET A 99 -11.160 9.709 5.311 1.00 0.00 C ATOM 1478 SD MET A 99 -11.394 7.998 5.857 1.00 0.00 S ATOM 1479 CE MET A 99 -11.177 7.170 4.263 1.00 0.00 C ATOM 0 H MET A 99 -13.494 11.335 2.339 1.00 0.00 H new ATOM 0 HA MET A 99 -12.218 12.189 4.886 1.00 0.00 H new ATOM 0 HB2 MET A 99 -13.272 9.922 4.918 1.00 0.00 H new ATOM 0 HB3 MET A 99 -12.330 9.468 3.512 1.00 0.00 H new ATOM 0 HG2 MET A 99 -10.215 9.809 4.776 1.00 0.00 H new ATOM 0 HG3 MET A 99 -11.112 10.377 6.171 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.846 6.145 4.428 1.00 0.00 H new ATOM 0 HE2 MET A 99 -12.125 7.163 3.724 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.429 7.703 3.675 1.00 0.00 H new ATOM 1489 N ARG A 100 -10.013 12.516 3.869 1.00 0.00 N ATOM 1490 CA ARG A 100 -8.704 12.789 3.286 1.00 0.00 C ATOM 1491 C ARG A 100 -7.694 11.752 3.781 1.00 0.00 C ATOM 1492 O ARG A 100 -7.649 11.472 4.977 1.00 0.00 O ATOM 1493 CB ARG A 100 -8.252 14.195 3.701 1.00 0.00 C ATOM 1494 CG ARG A 100 -9.200 15.235 3.096 1.00 0.00 C ATOM 1495 CD ARG A 100 -8.769 16.639 3.519 1.00 0.00 C ATOM 1496 NE ARG A 100 -8.942 16.804 4.962 1.00 0.00 N ATOM 1497 CZ ARG A 100 -10.114 17.142 5.509 1.00 0.00 C ATOM 1498 NH1 ARG A 100 -11.179 17.320 4.765 1.00 0.00 N ATOM 1499 NH2 ARG A 100 -10.203 17.303 6.806 1.00 0.00 N ATOM 0 H ARG A 100 -10.138 12.889 4.810 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.767 12.733 2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -8.246 14.281 4.788 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.232 14.376 3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -9.195 15.156 2.009 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -10.221 15.044 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.726 16.805 3.249 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -9.359 17.385 2.986 1.00 0.00 H new ATOM 0 HE ARG A 100 -8.139 16.656 5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -11.120 17.201 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -12.066 17.578 5.198 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -9.380 17.170 7.394 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.095 17.561 7.228 1.00 0.00 H new ATOM 1513 N TYR A 101 -6.829 11.258 2.892 1.00 0.00 N ATOM 1514 CA TYR A 101 -5.820 10.263 3.259 1.00 0.00 C ATOM 1515 C TYR A 101 -4.417 10.765 2.923 1.00 0.00 C ATOM 1516 O TYR A 101 -4.081 10.913 1.742 1.00 0.00 O ATOM 1517 CB TYR A 101 -6.101 8.965 2.493 1.00 0.00 C ATOM 1518 CG TYR A 101 -6.298 7.822 3.464 1.00 0.00 C ATOM 1519 CD1 TYR A 101 -5.264 7.455 4.341 1.00 0.00 C ATOM 1520 CD2 TYR A 101 -7.398 6.971 3.316 1.00 0.00 C ATOM 1521 CE1 TYR A 101 -5.474 6.435 5.276 1.00 0.00 C ATOM 1522 CE2 TYR A 101 -7.606 5.931 4.239 1.00 0.00 C ATOM 1523 CZ TYR A 101 -6.635 5.653 5.210 1.00 0.00 C ATOM 1524 OH TYR A 101 -6.811 4.606 6.095 1.00 0.00 O ATOM 0 H TYR A 101 -6.808 11.532 1.910 1.00 0.00 H new ATOM 0 HA TYR A 101 -5.871 10.084 4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.990 9.084 1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -5.272 8.743 1.821 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.310 7.958 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -8.086 7.112 2.495 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -4.742 6.251 6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -8.514 5.347 4.200 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.668 4.166 5.915 1.00 0.00 H new ATOM 1534 N PRO A 102 -3.668 11.242 3.932 1.00 0.00 N ATOM 1535 CA PRO A 102 -2.224 11.574 3.755 1.00 0.00 C ATOM 1536 C PRO A 102 -1.383 10.349 3.383 1.00 0.00 C ATOM 1537 O PRO A 102 -1.540 9.279 3.974 1.00 0.00 O ATOM 1538 CB PRO A 102 -1.798 12.150 5.112 1.00 0.00 C ATOM 1539 CG PRO A 102 -3.066 12.494 5.823 1.00 0.00 C ATOM 1540 CD PRO A 102 -4.117 11.509 5.308 1.00 0.00 C ATOM 0 HA PRO A 102 -2.071 12.273 2.933 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -1.216 11.424 5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.170 13.032 4.983 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.944 12.406 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.362 13.523 5.618 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -4.147 10.599 5.907 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -5.119 11.938 5.330 1.00 0.00 H new ATOM 1548 N TYR A 103 -0.397 10.556 2.510 1.00 0.00 N ATOM 1549 CA TYR A 103 0.701 9.612 2.299 1.00 0.00 C ATOM 1550 C TYR A 103 2.061 10.299 2.288 1.00 0.00 C ATOM 1551 O TYR A 103 2.134 11.509 2.105 1.00 0.00 O ATOM 1552 CB TYR A 103 0.486 8.792 1.023 1.00 0.00 C ATOM 1553 CG TYR A 103 -0.684 7.854 1.207 1.00 0.00 C ATOM 1554 CD1 TYR A 103 -1.988 8.236 0.880 1.00 0.00 C ATOM 1555 CD2 TYR A 103 -0.435 6.553 1.655 1.00 0.00 C ATOM 1556 CE1 TYR A 103 -3.026 7.293 0.949 1.00 0.00 C ATOM 1557 CE2 TYR A 103 -1.488 5.661 1.847 1.00 0.00 C ATOM 1558 CZ TYR A 103 -2.773 6.002 1.422 1.00 0.00 C ATOM 1559 OH TYR A 103 -3.773 5.050 1.418 1.00 0.00 O ATOM 0 H TYR A 103 -0.337 11.389 1.925 1.00 0.00 H new ATOM 0 HA TYR A 103 0.699 8.928 3.148 1.00 0.00 H new ATOM 0 HB2 TYR A 103 0.301 9.457 0.179 1.00 0.00 H new ATOM 0 HB3 TYR A 103 1.386 8.223 0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.196 9.251 0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 103 0.579 6.238 1.853 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -4.023 7.566 0.636 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -1.310 4.708 2.323 1.00 0.00 H new ATOM 0 HH TYR A 103 -3.425 4.208 1.780 1.00 0.00 H new