USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 584 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 14 CYS SG : rot -120:sc= -5.09! USER MOD Set 1.2: A 78 ASN :FLIP amide:sc= -1.65! C(o=-7.6!,f=-6.7!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.756 USER MOD Set 2.2: A 12 GLN : amide:sc= -0.755 K(o=-1.5,f=-2.5) USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 11 GLN : amide:sc= -5.99! C(o=-6!,f=-7!) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 78:sc= 1.12 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 163:sc= -0.0475 (180deg=-0.485) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -7.14! C(o=-7.1!,f=-15!) USER MOD Single : A 34 THR OG1 : rot -117:sc= 2.08 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-4.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -0.137 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 146:sc= 0.961 (180deg=-0.381!) USER MOD Single : A 56 CYS SG : rot 19:sc= 1.61 USER MOD Single : A 58 LYS NZ :NH3+ -136:sc= -0.0366 (180deg=-0.491) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 161:sc= -0.0297 (180deg=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 151:sc= -0.218 (180deg=-1.16) USER MOD Single : A 71 MET CE :methyl 154:sc= -0.103 (180deg=-0.882) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 6 -21.927 -3.853 16.808 1.00 0.00 N ATOM 58 CA PRO A 6 -21.690 -3.797 15.336 1.00 0.00 C ATOM 59 C PRO A 6 -22.964 -3.497 14.556 1.00 0.00 C ATOM 60 O PRO A 6 -24.023 -3.253 15.136 1.00 0.00 O ATOM 61 CB PRO A 6 -21.122 -5.185 15.006 1.00 0.00 C ATOM 62 CG PRO A 6 -21.697 -6.097 16.042 1.00 0.00 C ATOM 63 CD PRO A 6 -21.921 -5.247 17.303 1.00 0.00 C ATOM 0 HA PRO A 6 -21.013 -2.991 15.055 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -21.407 -5.499 14.002 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -20.033 -5.184 15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -22.635 -6.532 15.697 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.019 -6.925 16.249 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -22.862 -5.500 17.791 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -21.129 -5.406 18.035 1.00 0.00 H new ATOM 71 N ILE A 7 -22.847 -3.496 13.240 1.00 0.00 N ATOM 72 CA ILE A 7 -23.986 -3.199 12.390 1.00 0.00 C ATOM 73 C ILE A 7 -25.049 -4.272 12.548 1.00 0.00 C ATOM 74 O ILE A 7 -26.197 -4.092 12.140 1.00 0.00 O ATOM 75 CB ILE A 7 -23.534 -3.122 10.923 1.00 0.00 C ATOM 76 CG1 ILE A 7 -24.487 -2.197 10.134 1.00 0.00 C ATOM 77 CG2 ILE A 7 -23.540 -4.531 10.290 1.00 0.00 C ATOM 78 CD1 ILE A 7 -24.209 -0.720 10.457 1.00 0.00 C ATOM 0 H ILE A 7 -21.981 -3.696 12.739 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.408 -2.239 12.686 1.00 0.00 H new ATOM 0 HB ILE A 7 -22.522 -2.720 10.885 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -24.365 -2.369 9.065 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -25.521 -2.439 10.379 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -23.218 -4.464 9.251 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -22.858 -5.180 10.840 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -24.548 -4.944 10.332 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -24.892 -0.089 9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -24.356 -0.547 11.523 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -23.181 -0.476 10.188 1.00 0.00 H new ATOM 90 N SER A 8 -24.653 -5.395 13.129 1.00 0.00 N ATOM 91 CA SER A 8 -25.576 -6.496 13.317 1.00 0.00 C ATOM 92 C SER A 8 -26.870 -5.980 13.916 1.00 0.00 C ATOM 93 O SER A 8 -27.905 -6.640 13.844 1.00 0.00 O ATOM 94 CB SER A 8 -24.961 -7.542 14.245 1.00 0.00 C ATOM 95 OG SER A 8 -25.815 -8.677 14.309 1.00 0.00 O ATOM 0 H SER A 8 -23.708 -5.564 13.474 1.00 0.00 H new ATOM 0 HA SER A 8 -25.782 -6.956 12.351 1.00 0.00 H new ATOM 0 HB2 SER A 8 -23.976 -7.834 13.880 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.820 -7.123 15.241 1.00 0.00 H new ATOM 0 HG SER A 8 -25.421 -9.350 14.903 1.00 0.00 H new ATOM 101 N GLN A 9 -26.805 -4.791 14.504 1.00 0.00 N ATOM 102 CA GLN A 9 -27.995 -4.206 15.104 1.00 0.00 C ATOM 103 C GLN A 9 -29.082 -3.979 14.062 1.00 0.00 C ATOM 104 O GLN A 9 -30.197 -4.484 14.196 1.00 0.00 O ATOM 105 CB GLN A 9 -27.642 -2.860 15.740 1.00 0.00 C ATOM 106 CG GLN A 9 -28.898 -2.234 16.363 1.00 0.00 C ATOM 107 CD GLN A 9 -28.527 -0.960 17.120 1.00 0.00 C ATOM 108 OE1 GLN A 9 -27.346 -0.678 17.318 1.00 0.00 O ATOM 109 NE2 GLN A 9 -29.471 -0.170 17.556 1.00 0.00 N ATOM 0 H GLN A 9 -25.960 -4.224 14.577 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.366 -4.900 15.858 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -26.876 -2.998 16.503 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -27.225 -2.190 14.988 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.625 -2.005 15.584 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -29.371 -2.945 17.041 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -30.450 -0.405 17.391 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -29.230 0.682 18.062 1.00 0.00 H new ATOM 118 N LEU A 10 -28.747 -3.216 13.028 1.00 0.00 N ATOM 119 CA LEU A 10 -29.701 -2.918 11.970 1.00 0.00 C ATOM 120 C LEU A 10 -30.081 -4.189 11.227 1.00 0.00 C ATOM 121 O LEU A 10 -31.245 -4.393 10.886 1.00 0.00 O ATOM 122 CB LEU A 10 -29.091 -1.908 10.996 1.00 0.00 C ATOM 123 CG LEU A 10 -28.898 -0.554 11.699 1.00 0.00 C ATOM 124 CD1 LEU A 10 -28.029 0.346 10.817 1.00 0.00 C ATOM 125 CD2 LEU A 10 -30.255 0.133 11.958 1.00 0.00 C ATOM 0 H LEU A 10 -27.827 -2.795 12.901 1.00 0.00 H new ATOM 0 HA LEU A 10 -30.600 -2.493 12.415 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -28.133 -2.277 10.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -29.740 -1.788 10.129 1.00 0.00 H new ATOM 0 HG LEU A 10 -28.412 -0.724 12.660 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -27.887 1.309 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -27.060 -0.127 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -28.521 0.498 9.856 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -30.090 1.088 12.456 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -30.764 0.302 11.009 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -30.871 -0.505 12.592 1.00 0.00 H new ATOM 137 N GLN A 11 -29.088 -5.034 10.970 1.00 0.00 N ATOM 138 CA GLN A 11 -29.341 -6.274 10.254 1.00 0.00 C ATOM 139 C GLN A 11 -30.310 -7.152 11.030 1.00 0.00 C ATOM 140 O GLN A 11 -31.344 -7.565 10.508 1.00 0.00 O ATOM 141 CB GLN A 11 -28.023 -7.030 10.068 1.00 0.00 C ATOM 142 CG GLN A 11 -28.221 -8.203 9.108 1.00 0.00 C ATOM 143 CD GLN A 11 -28.505 -7.684 7.701 1.00 0.00 C ATOM 144 OE1 GLN A 11 -29.570 -7.942 7.142 1.00 0.00 O ATOM 145 NE2 GLN A 11 -27.608 -6.959 7.094 1.00 0.00 N ATOM 0 H GLN A 11 -28.116 -4.885 11.243 1.00 0.00 H new ATOM 0 HA GLN A 11 -29.778 -6.034 9.285 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -27.260 -6.356 9.678 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -27.665 -7.394 11.031 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -27.330 -8.831 9.100 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -29.048 -8.827 9.448 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -26.725 -6.746 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -27.789 -6.605 6.155 1.00 0.00 H new ATOM 154 N GLN A 12 -29.978 -7.426 12.286 1.00 0.00 N ATOM 155 CA GLN A 12 -30.841 -8.261 13.114 1.00 0.00 C ATOM 156 C GLN A 12 -32.181 -7.581 13.373 1.00 0.00 C ATOM 157 O GLN A 12 -33.233 -8.217 13.307 1.00 0.00 O ATOM 158 CB GLN A 12 -30.156 -8.569 14.446 1.00 0.00 C ATOM 159 CG GLN A 12 -28.979 -9.517 14.209 1.00 0.00 C ATOM 160 CD GLN A 12 -28.185 -9.691 15.498 1.00 0.00 C ATOM 161 OE1 GLN A 12 -28.060 -8.751 16.282 1.00 0.00 O ATOM 162 NE2 GLN A 12 -27.647 -10.849 15.770 1.00 0.00 N ATOM 0 H GLN A 12 -29.133 -7.089 12.748 1.00 0.00 H new ATOM 0 HA GLN A 12 -31.024 -9.191 12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -29.806 -7.646 14.909 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -30.868 -9.022 15.137 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -29.344 -10.484 13.863 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -28.334 -9.121 13.425 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -27.753 -11.626 15.118 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -27.121 -10.977 16.635 1.00 0.00 H new ATOM 171 N CYS A 13 -32.133 -6.288 13.672 1.00 0.00 N ATOM 172 CA CYS A 13 -33.347 -5.532 13.946 1.00 0.00 C ATOM 173 C CYS A 13 -34.264 -5.515 12.729 1.00 0.00 C ATOM 174 O CYS A 13 -35.458 -5.791 12.832 1.00 0.00 O ATOM 175 CB CYS A 13 -32.987 -4.100 14.337 1.00 0.00 C ATOM 176 SG CYS A 13 -34.497 -3.178 14.713 1.00 0.00 S ATOM 0 H CYS A 13 -31.272 -5.745 13.730 1.00 0.00 H new ATOM 0 HA CYS A 13 -33.874 -6.016 14.769 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -32.326 -4.104 15.203 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -32.445 -3.615 13.525 1.00 0.00 H new ATOM 0 HG CYS A 13 -34.190 -1.960 15.048 1.00 0.00 H new ATOM 182 N CYS A 14 -33.695 -5.188 11.576 1.00 0.00 N ATOM 183 CA CYS A 14 -34.470 -5.133 10.346 1.00 0.00 C ATOM 184 C CYS A 14 -35.067 -6.498 10.024 1.00 0.00 C ATOM 185 O CYS A 14 -36.240 -6.604 9.664 1.00 0.00 O ATOM 186 CB CYS A 14 -33.583 -4.673 9.188 1.00 0.00 C ATOM 187 SG CYS A 14 -34.585 -4.537 7.688 1.00 0.00 S ATOM 0 H CYS A 14 -32.707 -4.959 11.468 1.00 0.00 H new ATOM 0 HA CYS A 14 -35.283 -4.420 10.485 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -33.127 -3.711 9.423 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -32.770 -5.382 9.033 1.00 0.00 H new ATOM 0 HG CYS A 14 -34.113 -5.336 6.777 1.00 0.00 H new ATOM 193 N LEU A 15 -34.250 -7.540 10.150 1.00 0.00 N ATOM 194 CA LEU A 15 -34.704 -8.895 9.859 1.00 0.00 C ATOM 195 C LEU A 15 -35.843 -9.287 10.797 1.00 0.00 C ATOM 196 O LEU A 15 -36.811 -9.924 10.383 1.00 0.00 O ATOM 197 CB LEU A 15 -33.522 -9.886 10.003 1.00 0.00 C ATOM 198 CG LEU A 15 -32.868 -10.156 8.640 1.00 0.00 C ATOM 199 CD1 LEU A 15 -32.186 -8.886 8.108 1.00 0.00 C ATOM 200 CD2 LEU A 15 -31.827 -11.270 8.800 1.00 0.00 C ATOM 0 H LEU A 15 -33.277 -7.473 10.449 1.00 0.00 H new ATOM 0 HA LEU A 15 -35.075 -8.932 8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -32.782 -9.479 10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -33.877 -10.823 10.433 1.00 0.00 H new ATOM 0 HG LEU A 15 -33.636 -10.460 7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -31.728 -9.097 7.141 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -32.928 -8.095 7.994 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -31.418 -8.564 8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -31.357 -11.469 7.837 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -31.068 -10.958 9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -32.316 -12.176 9.160 1.00 0.00 H new ATOM 212 N THR A 16 -35.725 -8.903 12.057 1.00 0.00 N ATOM 213 CA THR A 16 -36.756 -9.221 13.026 1.00 0.00 C ATOM 214 C THR A 16 -38.018 -8.424 12.736 1.00 0.00 C ATOM 215 O THR A 16 -39.132 -8.927 12.880 1.00 0.00 O ATOM 216 CB THR A 16 -36.257 -8.906 14.435 1.00 0.00 C ATOM 217 OG1 THR A 16 -35.104 -9.690 14.710 1.00 0.00 O ATOM 218 CG2 THR A 16 -37.353 -9.227 15.449 1.00 0.00 C ATOM 0 H THR A 16 -34.934 -8.376 12.428 1.00 0.00 H new ATOM 0 HA THR A 16 -36.988 -10.284 12.955 1.00 0.00 H new ATOM 0 HB THR A 16 -36.002 -7.849 14.506 1.00 0.00 H new ATOM 0 HG1 THR A 16 -34.325 -9.292 14.269 1.00 0.00 H new ATOM 0 HG21 THR A 16 -36.996 -9.002 16.454 1.00 0.00 H new ATOM 0 HG22 THR A 16 -38.235 -8.624 15.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 -37.611 -10.284 15.384 1.00 0.00 H new ATOM 226 N LEU A 17 -37.831 -7.173 12.329 1.00 0.00 N ATOM 227 CA LEU A 17 -38.959 -6.297 12.020 1.00 0.00 C ATOM 228 C LEU A 17 -40.051 -6.452 13.072 1.00 0.00 C ATOM 229 O LEU A 17 -41.049 -7.139 12.848 1.00 0.00 O ATOM 230 CB LEU A 17 -39.530 -6.636 10.639 1.00 0.00 C ATOM 231 CG LEU A 17 -40.642 -5.642 10.263 1.00 0.00 C ATOM 232 CD1 LEU A 17 -40.075 -4.212 10.166 1.00 0.00 C ATOM 233 CD2 LEU A 17 -41.250 -6.057 8.916 1.00 0.00 C ATOM 0 H LEU A 17 -36.914 -6.743 12.205 1.00 0.00 H new ATOM 0 HA LEU A 17 -38.605 -5.266 12.020 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -38.737 -6.604 9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -39.926 -7.652 10.641 1.00 0.00 H new ATOM 0 HG LEU A 17 -41.412 -5.654 11.034 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -40.875 -3.521 9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -39.651 -3.923 11.128 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -39.298 -4.180 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -42.039 -5.357 8.642 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -40.475 -6.049 8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -41.667 -7.060 8.999 1.00 0.00 H new ATOM 245 N ARG A 18 -39.857 -5.819 14.220 1.00 0.00 N ATOM 246 CA ARG A 18 -40.830 -5.902 15.297 1.00 0.00 C ATOM 247 C ARG A 18 -42.103 -5.146 14.924 1.00 0.00 C ATOM 248 O ARG A 18 -42.080 -3.927 14.738 1.00 0.00 O ATOM 249 CB ARG A 18 -40.233 -5.299 16.569 1.00 0.00 C ATOM 250 CG ARG A 18 -38.923 -6.016 16.945 1.00 0.00 C ATOM 251 CD ARG A 18 -39.221 -7.298 17.724 1.00 0.00 C ATOM 252 NE ARG A 18 -39.905 -6.966 18.966 1.00 0.00 N ATOM 253 CZ ARG A 18 -40.309 -7.910 19.802 1.00 0.00 C ATOM 254 NH1 ARG A 18 -40.924 -7.585 20.905 1.00 0.00 N ATOM 255 NH2 ARG A 18 -40.090 -9.164 19.521 1.00 0.00 N ATOM 0 H ARG A 18 -39.039 -5.246 14.428 1.00 0.00 H new ATOM 0 HA ARG A 18 -41.080 -6.949 15.467 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -40.042 -4.236 16.419 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -40.948 -5.383 17.388 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -38.359 -6.254 16.043 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -38.299 -5.355 17.546 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -39.839 -7.965 17.123 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -38.294 -7.829 17.938 1.00 0.00 H new ATOM 0 HE ARG A 18 -40.076 -5.987 19.196 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -41.094 -6.603 21.124 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -41.235 -8.312 21.549 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -39.608 -9.417 18.658 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -40.401 -9.892 20.164 1.00 0.00 H new ATOM 269 N THR A 19 -43.214 -5.875 14.824 1.00 0.00 N ATOM 270 CA THR A 19 -44.499 -5.266 14.481 1.00 0.00 C ATOM 271 C THR A 19 -45.624 -5.871 15.319 1.00 0.00 C ATOM 272 O THR A 19 -45.841 -7.086 15.323 1.00 0.00 O ATOM 273 CB THR A 19 -44.788 -5.481 12.993 1.00 0.00 C ATOM 274 OG1 THR A 19 -43.731 -4.921 12.226 1.00 0.00 O ATOM 275 CG2 THR A 19 -46.102 -4.795 12.626 1.00 0.00 C ATOM 0 H THR A 19 -43.251 -6.883 14.975 1.00 0.00 H new ATOM 0 HA THR A 19 -44.447 -4.198 14.693 1.00 0.00 H new ATOM 0 HB THR A 19 -44.866 -6.548 12.785 1.00 0.00 H new ATOM 0 HG1 THR A 19 -43.911 -5.058 11.272 1.00 0.00 H new ATOM 0 HG21 THR A 19 -46.309 -4.948 11.567 1.00 0.00 H new ATOM 0 HG22 THR A 19 -46.912 -5.220 13.219 1.00 0.00 H new ATOM 0 HG23 THR A 19 -46.024 -3.727 12.830 1.00 0.00 H new ATOM 283 N GLU A 20 -46.350 -5.010 16.019 1.00 0.00 N ATOM 284 CA GLU A 20 -47.457 -5.467 16.845 1.00 0.00 C ATOM 285 C GLU A 20 -48.579 -6.014 15.975 1.00 0.00 C ATOM 286 O GLU A 20 -48.852 -5.491 14.894 1.00 0.00 O ATOM 287 CB GLU A 20 -47.977 -4.313 17.701 1.00 0.00 C ATOM 288 CG GLU A 20 -48.411 -3.161 16.793 1.00 0.00 C ATOM 289 CD GLU A 20 -48.886 -1.984 17.634 1.00 0.00 C ATOM 290 OE1 GLU A 20 -48.885 -2.111 18.848 1.00 0.00 O ATOM 291 OE2 GLU A 20 -49.245 -0.973 17.055 1.00 0.00 O ATOM 0 H GLU A 20 -46.194 -4.002 16.032 1.00 0.00 H new ATOM 0 HA GLU A 20 -47.101 -6.265 17.496 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -48.817 -4.647 18.309 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -47.200 -3.976 18.388 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -47.579 -2.853 16.160 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -49.211 -3.491 16.130 1.00 0.00 H new ATOM 298 N GLY A 21 -49.227 -7.069 16.452 1.00 0.00 N ATOM 299 CA GLY A 21 -50.321 -7.685 15.711 1.00 0.00 C ATOM 300 C GLY A 21 -49.798 -8.730 14.730 1.00 0.00 C ATOM 301 O GLY A 21 -50.580 -9.426 14.083 1.00 0.00 O ATOM 0 H GLY A 21 -49.016 -7.515 17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -51.019 -8.151 16.407 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -50.875 -6.918 15.170 1.00 0.00 H new ATOM 305 N LYS A 22 -48.470 -8.843 14.624 1.00 0.00 N ATOM 306 CA LYS A 22 -47.859 -9.815 13.715 1.00 0.00 C ATOM 307 C LYS A 22 -46.839 -10.655 14.460 1.00 0.00 C ATOM 308 O LYS A 22 -46.032 -10.137 15.229 1.00 0.00 O ATOM 309 CB LYS A 22 -47.182 -9.088 12.559 1.00 0.00 C ATOM 310 CG LYS A 22 -48.251 -8.411 11.701 1.00 0.00 C ATOM 311 CD LYS A 22 -47.579 -7.661 10.553 1.00 0.00 C ATOM 312 CE LYS A 22 -48.647 -6.991 9.686 1.00 0.00 C ATOM 313 NZ LYS A 22 -47.987 -6.237 8.582 1.00 0.00 N ATOM 0 H LYS A 22 -47.804 -8.279 15.151 1.00 0.00 H new ATOM 0 HA LYS A 22 -48.638 -10.468 13.322 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -46.480 -8.346 12.940 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -46.607 -9.792 11.957 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -48.943 -9.156 11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -48.837 -7.720 12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -46.892 -6.912 10.947 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -46.987 -8.351 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -49.322 -7.742 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -49.252 -6.316 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -48.712 -5.781 7.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -47.360 -5.511 8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -47.428 -6.893 7.999 1.00 0.00 H new ATOM 327 N GLU A 23 -46.886 -11.958 14.235 1.00 0.00 N ATOM 328 CA GLU A 23 -45.965 -12.859 14.907 1.00 0.00 C ATOM 329 C GLU A 23 -44.539 -12.683 14.377 1.00 0.00 C ATOM 330 O GLU A 23 -44.350 -12.322 13.215 1.00 0.00 O ATOM 331 CB GLU A 23 -46.407 -14.313 14.727 1.00 0.00 C ATOM 332 CG GLU A 23 -47.705 -14.560 15.504 1.00 0.00 C ATOM 333 CD GLU A 23 -48.865 -13.855 14.812 1.00 0.00 C ATOM 334 OE1 GLU A 23 -48.716 -13.516 13.649 1.00 0.00 O ATOM 335 OE2 GLU A 23 -49.884 -13.663 15.453 1.00 0.00 O ATOM 0 H GLU A 23 -47.544 -12.411 13.600 1.00 0.00 H new ATOM 0 HA GLU A 23 -45.975 -12.612 15.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -46.559 -14.528 13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -45.627 -14.987 15.081 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -47.904 -15.630 15.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -47.603 -14.194 16.526 1.00 0.00 H new ATOM 342 N PRO A 24 -43.530 -12.949 15.185 1.00 0.00 N ATOM 343 CA PRO A 24 -42.104 -12.824 14.744 1.00 0.00 C ATOM 344 C PRO A 24 -41.840 -13.574 13.435 1.00 0.00 C ATOM 345 O PRO A 24 -42.364 -14.668 13.216 1.00 0.00 O ATOM 346 CB PRO A 24 -41.313 -13.467 15.897 1.00 0.00 C ATOM 347 CG PRO A 24 -42.174 -13.289 17.101 1.00 0.00 C ATOM 348 CD PRO A 24 -43.621 -13.375 16.604 1.00 0.00 C ATOM 0 HA PRO A 24 -41.826 -11.789 14.547 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -41.119 -14.522 15.703 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -40.345 -12.984 16.029 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -41.970 -14.061 17.843 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -41.982 -12.328 17.579 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -44.016 -14.387 16.694 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -44.281 -12.723 17.177 1.00 0.00 H new ATOM 356 N ASP A 25 -41.019 -12.980 12.575 1.00 0.00 N ATOM 357 CA ASP A 25 -40.680 -13.597 11.296 1.00 0.00 C ATOM 358 C ASP A 25 -39.576 -14.634 11.486 1.00 0.00 C ATOM 359 O ASP A 25 -39.172 -14.920 12.614 1.00 0.00 O ATOM 360 CB ASP A 25 -40.211 -12.526 10.305 1.00 0.00 C ATOM 361 CG ASP A 25 -38.872 -11.947 10.754 1.00 0.00 C ATOM 362 OD1 ASP A 25 -37.853 -12.481 10.350 1.00 0.00 O ATOM 363 OD2 ASP A 25 -38.887 -10.974 11.491 1.00 0.00 O ATOM 0 H ASP A 25 -40.577 -12.075 12.739 1.00 0.00 H new ATOM 0 HA ASP A 25 -41.569 -14.090 10.901 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -40.114 -12.958 9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -40.955 -11.732 10.236 1.00 0.00 H new ATOM 368 N ILE A 26 -39.093 -15.193 10.377 1.00 0.00 N ATOM 369 CA ILE A 26 -38.031 -16.200 10.424 1.00 0.00 C ATOM 370 C ILE A 26 -36.779 -15.680 9.712 1.00 0.00 C ATOM 371 O ILE A 26 -36.623 -15.855 8.504 1.00 0.00 O ATOM 372 CB ILE A 26 -38.520 -17.491 9.754 1.00 0.00 C ATOM 373 CG1 ILE A 26 -39.329 -17.152 8.499 1.00 0.00 C ATOM 374 CG2 ILE A 26 -39.409 -18.264 10.733 1.00 0.00 C ATOM 375 CD1 ILE A 26 -39.562 -18.430 7.692 1.00 0.00 C ATOM 0 H ILE A 26 -39.418 -14.967 9.437 1.00 0.00 H new ATOM 0 HA ILE A 26 -37.779 -16.407 11.464 1.00 0.00 H new ATOM 0 HB ILE A 26 -37.659 -18.099 9.475 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -40.283 -16.704 8.777 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -38.796 -16.418 7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -39.758 -19.182 10.260 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -38.836 -18.511 11.627 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -40.266 -17.650 11.009 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -40.138 -18.195 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -38.602 -18.859 7.404 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -40.113 -19.149 8.299 1.00 0.00 H new ATOM 387 N PRO A 27 -35.881 -15.052 10.437 1.00 0.00 N ATOM 388 CA PRO A 27 -34.618 -14.508 9.854 1.00 0.00 C ATOM 389 C PRO A 27 -33.849 -15.577 9.085 1.00 0.00 C ATOM 390 O PRO A 27 -33.752 -16.723 9.523 1.00 0.00 O ATOM 391 CB PRO A 27 -33.824 -14.045 11.088 1.00 0.00 C ATOM 392 CG PRO A 27 -34.859 -13.760 12.122 1.00 0.00 C ATOM 393 CD PRO A 27 -35.973 -14.778 11.883 1.00 0.00 C ATOM 0 HA PRO A 27 -34.801 -13.709 9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -33.131 -14.816 11.424 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -33.231 -13.158 10.867 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -34.447 -13.859 13.126 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -35.234 -12.741 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -35.825 -15.682 12.474 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -36.949 -14.377 12.155 1.00 0.00 H new ATOM 401 N LEU A 28 -33.296 -15.192 7.936 1.00 0.00 N ATOM 402 CA LEU A 28 -32.527 -16.121 7.109 1.00 0.00 C ATOM 403 C LEU A 28 -31.226 -15.470 6.652 1.00 0.00 C ATOM 404 O LEU A 28 -31.235 -14.404 6.036 1.00 0.00 O ATOM 405 CB LEU A 28 -33.352 -16.543 5.887 1.00 0.00 C ATOM 406 CG LEU A 28 -32.517 -17.450 4.968 1.00 0.00 C ATOM 407 CD1 LEU A 28 -32.066 -18.708 5.731 1.00 0.00 C ATOM 408 CD2 LEU A 28 -33.367 -17.858 3.760 1.00 0.00 C ATOM 0 H LEU A 28 -33.365 -14.247 7.558 1.00 0.00 H new ATOM 0 HA LEU A 28 -32.291 -17.003 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -34.250 -17.069 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -33.680 -15.660 5.338 1.00 0.00 H new ATOM 0 HG LEU A 28 -31.633 -16.907 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -31.476 -19.342 5.070 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -31.461 -18.416 6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -32.942 -19.258 6.075 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -32.781 -18.502 3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -34.251 -18.397 4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -33.675 -16.966 3.214 1.00 0.00 H new ATOM 420 N TYR A 29 -30.106 -16.131 6.941 1.00 0.00 N ATOM 421 CA TYR A 29 -28.792 -15.626 6.541 1.00 0.00 C ATOM 422 C TYR A 29 -27.984 -16.732 5.865 1.00 0.00 C ATOM 423 O TYR A 29 -27.604 -17.716 6.498 1.00 0.00 O ATOM 424 CB TYR A 29 -28.044 -15.106 7.771 1.00 0.00 C ATOM 425 CG TYR A 29 -27.825 -16.234 8.750 1.00 0.00 C ATOM 426 CD1 TYR A 29 -26.609 -16.927 8.763 1.00 0.00 C ATOM 427 CD2 TYR A 29 -28.843 -16.590 9.643 1.00 0.00 C ATOM 428 CE1 TYR A 29 -26.410 -17.976 9.668 1.00 0.00 C ATOM 429 CE2 TYR A 29 -28.645 -17.637 10.549 1.00 0.00 C ATOM 430 CZ TYR A 29 -27.428 -18.330 10.562 1.00 0.00 C ATOM 431 OH TYR A 29 -27.233 -19.365 11.455 1.00 0.00 O ATOM 0 H TYR A 29 -30.081 -17.015 7.449 1.00 0.00 H new ATOM 0 HA TYR A 29 -28.926 -14.810 5.831 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -27.086 -14.680 7.472 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -28.615 -14.307 8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -25.824 -16.652 8.074 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -29.782 -16.056 9.632 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -25.472 -18.512 9.677 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -29.430 -17.911 11.238 1.00 0.00 H new ATOM 0 HH TYR A 29 -28.037 -19.480 12.004 1.00 0.00 H new ATOM 441 N LYS A 30 -27.726 -16.562 4.572 1.00 0.00 N ATOM 442 CA LYS A 30 -26.959 -17.547 3.815 1.00 0.00 C ATOM 443 C LYS A 30 -26.240 -16.883 2.644 1.00 0.00 C ATOM 444 O LYS A 30 -26.803 -16.028 1.960 1.00 0.00 O ATOM 445 CB LYS A 30 -27.885 -18.655 3.303 1.00 0.00 C ATOM 446 CG LYS A 30 -27.063 -19.696 2.539 1.00 0.00 C ATOM 447 CD LYS A 30 -27.965 -20.865 2.145 1.00 0.00 C ATOM 448 CE LYS A 30 -27.186 -21.827 1.249 1.00 0.00 C ATOM 449 NZ LYS A 30 -26.003 -22.352 1.989 1.00 0.00 N ATOM 0 H LYS A 30 -28.035 -15.756 4.028 1.00 0.00 H new ATOM 0 HA LYS A 30 -26.212 -17.986 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -28.402 -19.127 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -28.651 -18.232 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -26.623 -19.246 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -26.239 -20.051 3.158 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -28.316 -21.384 3.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.848 -20.497 1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -27.828 -22.651 0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -26.863 -21.315 0.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -25.643 -23.202 1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -25.258 -21.626 2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.281 -22.595 2.961 1.00 0.00 H new ATOM 463 N THR A 31 -24.995 -17.289 2.414 1.00 0.00 N ATOM 464 CA THR A 31 -24.213 -16.730 1.316 1.00 0.00 C ATOM 465 C THR A 31 -24.691 -17.297 -0.016 1.00 0.00 C ATOM 466 O THR A 31 -25.225 -18.405 -0.071 1.00 0.00 O ATOM 467 CB THR A 31 -22.732 -17.057 1.510 1.00 0.00 C ATOM 468 OG1 THR A 31 -22.553 -18.468 1.492 1.00 0.00 O ATOM 469 CG2 THR A 31 -22.255 -16.496 2.849 1.00 0.00 C ATOM 0 H THR A 31 -24.510 -17.996 2.967 1.00 0.00 H new ATOM 0 HA THR A 31 -24.346 -15.648 1.310 1.00 0.00 H new ATOM 0 HB THR A 31 -22.152 -16.607 0.704 1.00 0.00 H new ATOM 0 HG1 THR A 31 -21.604 -18.679 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 31 -21.199 -16.730 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 31 -22.392 -15.415 2.860 1.00 0.00 H new ATOM 0 HG23 THR A 31 -22.833 -16.943 3.658 1.00 0.00 H new ATOM 477 N LEU A 32 -24.497 -16.531 -1.088 1.00 0.00 N ATOM 478 CA LEU A 32 -24.916 -16.968 -2.419 1.00 0.00 C ATOM 479 C LEU A 32 -23.770 -17.671 -3.132 1.00 0.00 C ATOM 480 O LEU A 32 -23.836 -18.869 -3.403 1.00 0.00 O ATOM 481 CB LEU A 32 -25.361 -15.760 -3.242 1.00 0.00 C ATOM 482 CG LEU A 32 -26.439 -14.983 -2.477 1.00 0.00 C ATOM 483 CD1 LEU A 32 -26.868 -13.764 -3.301 1.00 0.00 C ATOM 484 CD2 LEU A 32 -27.654 -15.888 -2.211 1.00 0.00 C ATOM 0 H LEU A 32 -24.056 -15.612 -1.062 1.00 0.00 H new ATOM 0 HA LEU A 32 -25.747 -17.665 -2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -24.508 -15.113 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -25.750 -16.088 -4.206 1.00 0.00 H new ATOM 0 HG LEU A 32 -26.033 -14.651 -1.521 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -27.634 -13.210 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -26.006 -13.119 -3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -27.269 -14.095 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -28.414 -15.327 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -28.066 -16.232 -3.160 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -27.344 -16.748 -1.617 1.00 0.00 H new ATOM 496 N GLN A 33 -22.715 -16.924 -3.431 1.00 0.00 N ATOM 497 CA GLN A 33 -21.562 -17.502 -4.108 1.00 0.00 C ATOM 498 C GLN A 33 -20.349 -16.589 -3.953 1.00 0.00 C ATOM 499 O GLN A 33 -20.479 -15.365 -3.952 1.00 0.00 O ATOM 500 CB GLN A 33 -21.883 -17.707 -5.599 1.00 0.00 C ATOM 501 CG GLN A 33 -20.955 -18.765 -6.214 1.00 0.00 C ATOM 502 CD GLN A 33 -19.561 -18.191 -6.418 1.00 0.00 C ATOM 503 OE1 GLN A 33 -19.402 -16.980 -6.565 1.00 0.00 O ATOM 504 NE2 GLN A 33 -18.536 -18.998 -6.445 1.00 0.00 N ATOM 0 H GLN A 33 -22.634 -15.930 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 33 -21.332 -18.467 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -22.922 -18.017 -5.713 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -21.771 -16.763 -6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -20.905 -19.637 -5.562 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -21.360 -19.103 -7.168 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.673 -20.001 -6.323 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -17.597 -18.626 -6.588 1.00 0.00 H new ATOM 513 N THR A 34 -19.169 -17.191 -3.825 1.00 0.00 N ATOM 514 CA THR A 34 -17.931 -16.426 -3.675 1.00 0.00 C ATOM 515 C THR A 34 -17.209 -16.317 -5.012 1.00 0.00 C ATOM 516 O THR A 34 -17.021 -17.315 -5.706 1.00 0.00 O ATOM 517 CB THR A 34 -17.014 -17.110 -2.658 1.00 0.00 C ATOM 518 OG1 THR A 34 -17.671 -17.170 -1.400 1.00 0.00 O ATOM 519 CG2 THR A 34 -15.716 -16.311 -2.522 1.00 0.00 C ATOM 0 H THR A 34 -19.043 -18.203 -3.822 1.00 0.00 H new ATOM 0 HA THR A 34 -18.184 -15.426 -3.323 1.00 0.00 H new ATOM 0 HB THR A 34 -16.781 -18.120 -2.996 1.00 0.00 H new ATOM 0 HG1 THR A 34 -17.171 -16.641 -0.744 1.00 0.00 H new ATOM 0 HG21 THR A 34 -15.063 -16.798 -1.798 1.00 0.00 H new ATOM 0 HG22 THR A 34 -15.215 -16.264 -3.489 1.00 0.00 H new ATOM 0 HG23 THR A 34 -15.945 -15.301 -2.183 1.00 0.00 H new ATOM 527 N VAL A 35 -16.808 -15.100 -5.372 1.00 0.00 N ATOM 528 CA VAL A 35 -16.110 -14.866 -6.639 1.00 0.00 C ATOM 529 C VAL A 35 -14.773 -14.185 -6.385 1.00 0.00 C ATOM 530 O VAL A 35 -14.569 -13.569 -5.342 1.00 0.00 O ATOM 531 CB VAL A 35 -16.968 -13.979 -7.545 1.00 0.00 C ATOM 532 CG1 VAL A 35 -18.309 -14.667 -7.806 1.00 0.00 C ATOM 533 CG2 VAL A 35 -17.209 -12.631 -6.861 1.00 0.00 C ATOM 0 H VAL A 35 -16.952 -14.262 -4.809 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.935 -15.826 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.452 -13.817 -8.491 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.922 -14.037 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -18.137 -15.627 -8.293 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -18.825 -14.828 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.820 -12.000 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.726 -12.790 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.253 -12.142 -6.674 1.00 0.00 H new ATOM 543 N GLY A 36 -13.859 -14.311 -7.343 1.00 0.00 N ATOM 544 CA GLY A 36 -12.534 -13.713 -7.217 1.00 0.00 C ATOM 545 C GLY A 36 -11.994 -13.312 -8.586 1.00 0.00 C ATOM 546 O GLY A 36 -11.185 -14.030 -9.171 1.00 0.00 O ATOM 0 H GLY A 36 -14.011 -14.821 -8.213 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.584 -12.838 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.853 -14.421 -6.744 1.00 0.00 H new ATOM 550 N PRO A 37 -12.430 -12.188 -9.104 1.00 0.00 N ATOM 551 CA PRO A 37 -11.983 -11.683 -10.440 1.00 0.00 C ATOM 552 C PRO A 37 -10.457 -11.628 -10.559 1.00 0.00 C ATOM 553 O PRO A 37 -9.857 -10.556 -10.535 1.00 0.00 O ATOM 554 CB PRO A 37 -12.609 -10.275 -10.526 1.00 0.00 C ATOM 555 CG PRO A 37 -13.777 -10.305 -9.590 1.00 0.00 C ATOM 556 CD PRO A 37 -13.405 -11.282 -8.472 1.00 0.00 C ATOM 0 HA PRO A 37 -12.296 -12.337 -11.254 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.892 -9.507 -10.236 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.926 -10.047 -11.544 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.979 -9.312 -9.188 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.681 -10.630 -10.106 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.973 -10.764 -7.616 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.278 -11.825 -8.109 1.00 0.00 H new ATOM 564 N SER A 38 -9.831 -12.792 -10.693 1.00 0.00 N ATOM 565 CA SER A 38 -8.379 -12.855 -10.819 1.00 0.00 C ATOM 566 C SER A 38 -7.713 -11.963 -9.775 1.00 0.00 C ATOM 567 O SER A 38 -6.642 -11.405 -10.015 1.00 0.00 O ATOM 568 CB SER A 38 -7.959 -12.407 -12.218 1.00 0.00 C ATOM 569 OG SER A 38 -8.566 -13.253 -13.185 1.00 0.00 O ATOM 0 H SER A 38 -10.301 -13.697 -10.717 1.00 0.00 H new ATOM 0 HA SER A 38 -8.061 -13.885 -10.657 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.257 -11.372 -12.385 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.874 -12.446 -12.314 1.00 0.00 H new ATOM 0 HG SER A 38 -8.300 -12.967 -14.084 1.00 0.00 H new ATOM 575 N HIS A 39 -8.355 -11.833 -8.614 1.00 0.00 N ATOM 576 CA HIS A 39 -7.819 -11.004 -7.534 1.00 0.00 C ATOM 577 C HIS A 39 -8.219 -11.571 -6.172 1.00 0.00 C ATOM 578 O HIS A 39 -8.064 -12.765 -5.918 1.00 0.00 O ATOM 579 CB HIS A 39 -8.317 -9.559 -7.668 1.00 0.00 C ATOM 580 CG HIS A 39 -7.835 -8.981 -8.969 1.00 0.00 C ATOM 581 ND1 HIS A 39 -6.490 -8.936 -9.299 1.00 0.00 N ATOM 582 CD2 HIS A 39 -8.499 -8.398 -10.021 1.00 0.00 C ATOM 583 CE1 HIS A 39 -6.387 -8.346 -10.503 1.00 0.00 C ATOM 584 NE2 HIS A 39 -7.582 -7.999 -10.988 1.00 0.00 N ATOM 0 H HIS A 39 -9.242 -12.288 -8.398 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.732 -11.009 -7.609 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.406 -9.533 -7.628 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.953 -8.959 -6.834 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.569 -8.269 -10.087 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.452 -8.174 -11.015 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.780 -7.540 -11.877 1.00 0.00 H new ATOM 592 N ALA A 40 -8.728 -10.707 -5.300 1.00 0.00 N ATOM 593 CA ALA A 40 -9.141 -11.124 -3.969 1.00 0.00 C ATOM 594 C ALA A 40 -10.534 -11.734 -4.010 1.00 0.00 C ATOM 595 O ALA A 40 -11.363 -11.355 -4.839 1.00 0.00 O ATOM 596 CB ALA A 40 -9.130 -9.924 -3.019 1.00 0.00 C ATOM 0 H ALA A 40 -8.864 -9.715 -5.493 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.439 -11.876 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.440 -10.244 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.123 -9.509 -2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.818 -9.163 -3.386 1.00 0.00 H new ATOM 602 N ARG A 41 -10.789 -12.677 -3.114 1.00 0.00 N ATOM 603 CA ARG A 41 -12.090 -13.325 -3.062 1.00 0.00 C ATOM 604 C ARG A 41 -13.137 -12.353 -2.532 1.00 0.00 C ATOM 605 O ARG A 41 -12.858 -11.549 -1.644 1.00 0.00 O ATOM 606 CB ARG A 41 -12.018 -14.554 -2.151 1.00 0.00 C ATOM 607 CG ARG A 41 -11.606 -14.122 -0.738 1.00 0.00 C ATOM 608 CD ARG A 41 -11.507 -15.351 0.165 1.00 0.00 C ATOM 609 NE ARG A 41 -11.122 -14.952 1.516 1.00 0.00 N ATOM 610 CZ ARG A 41 -9.849 -14.733 1.832 1.00 0.00 C ATOM 611 NH1 ARG A 41 -9.529 -14.377 3.047 1.00 0.00 N ATOM 612 NH2 ARG A 41 -8.920 -14.872 0.927 1.00 0.00 N ATOM 0 H ARG A 41 -10.119 -13.007 -2.420 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.372 -13.637 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.986 -15.055 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.299 -15.272 -2.547 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.648 -13.604 -0.770 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.335 -13.419 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.464 -15.871 0.190 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.775 -16.050 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.842 -14.839 2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.256 -14.267 3.754 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.552 -14.209 3.289 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.170 -15.148 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.943 -14.704 1.169 1.00 0.00 H new ATOM 626 N THR A 42 -14.341 -12.430 -3.092 1.00 0.00 N ATOM 627 CA THR A 42 -15.438 -11.557 -2.685 1.00 0.00 C ATOM 628 C THR A 42 -16.667 -12.389 -2.327 1.00 0.00 C ATOM 629 O THR A 42 -17.079 -13.266 -3.088 1.00 0.00 O ATOM 630 CB THR A 42 -15.785 -10.594 -3.824 1.00 0.00 C ATOM 631 OG1 THR A 42 -14.640 -9.814 -4.151 1.00 0.00 O ATOM 632 CG2 THR A 42 -16.927 -9.671 -3.388 1.00 0.00 C ATOM 0 H THR A 42 -14.582 -13.090 -3.831 1.00 0.00 H new ATOM 0 HA THR A 42 -15.127 -10.986 -1.810 1.00 0.00 H new ATOM 0 HB THR A 42 -16.097 -11.165 -4.698 1.00 0.00 H new ATOM 0 HG1 THR A 42 -14.861 -9.199 -4.881 1.00 0.00 H new ATOM 0 HG21 THR A 42 -17.172 -8.987 -4.200 1.00 0.00 H new ATOM 0 HG22 THR A 42 -17.804 -10.269 -3.140 1.00 0.00 H new ATOM 0 HG23 THR A 42 -16.619 -9.099 -2.513 1.00 0.00 H new ATOM 640 N TYR A 43 -17.245 -12.101 -1.165 1.00 0.00 N ATOM 641 CA TYR A 43 -18.432 -12.814 -0.694 1.00 0.00 C ATOM 642 C TYR A 43 -19.680 -11.978 -0.941 1.00 0.00 C ATOM 643 O TYR A 43 -19.669 -10.760 -0.757 1.00 0.00 O ATOM 644 CB TYR A 43 -18.304 -13.105 0.804 1.00 0.00 C ATOM 645 CG TYR A 43 -17.201 -14.109 1.028 1.00 0.00 C ATOM 646 CD1 TYR A 43 -15.885 -13.672 1.217 1.00 0.00 C ATOM 647 CD2 TYR A 43 -17.495 -15.477 1.046 1.00 0.00 C ATOM 648 CE1 TYR A 43 -14.862 -14.604 1.425 1.00 0.00 C ATOM 649 CE2 TYR A 43 -16.472 -16.409 1.254 1.00 0.00 C ATOM 650 CZ TYR A 43 -15.157 -15.973 1.443 1.00 0.00 C ATOM 651 OH TYR A 43 -14.148 -16.892 1.648 1.00 0.00 O ATOM 0 H TYR A 43 -16.911 -11.377 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 43 -18.516 -13.753 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -18.089 -12.185 1.347 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -19.246 -13.491 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -15.659 -12.616 1.202 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -18.511 -15.813 0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -13.846 -14.268 1.571 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -16.698 -17.465 1.269 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.522 -17.798 1.632 1.00 0.00 H new ATOM 661 N THR A 44 -20.754 -12.641 -1.358 1.00 0.00 N ATOM 662 CA THR A 44 -22.019 -11.959 -1.632 1.00 0.00 C ATOM 663 C THR A 44 -23.143 -12.612 -0.839 1.00 0.00 C ATOM 664 O THR A 44 -23.292 -13.833 -0.847 1.00 0.00 O ATOM 665 CB THR A 44 -22.334 -12.032 -3.128 1.00 0.00 C ATOM 666 OG1 THR A 44 -21.264 -11.455 -3.862 1.00 0.00 O ATOM 667 CG2 THR A 44 -23.620 -11.256 -3.415 1.00 0.00 C ATOM 0 H THR A 44 -20.776 -13.649 -1.514 1.00 0.00 H new ATOM 0 HA THR A 44 -21.931 -10.914 -1.334 1.00 0.00 H new ATOM 0 HB THR A 44 -22.462 -13.073 -3.424 1.00 0.00 H new ATOM 0 HG1 THR A 44 -21.462 -11.502 -4.821 1.00 0.00 H new ATOM 0 HG21 THR A 44 -23.846 -11.307 -4.480 1.00 0.00 H new ATOM 0 HG22 THR A 44 -24.443 -11.693 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 44 -23.490 -10.214 -3.121 1.00 0.00 H new ATOM 675 N VAL A 45 -23.932 -11.788 -0.153 1.00 0.00 N ATOM 676 CA VAL A 45 -25.044 -12.288 0.654 1.00 0.00 C ATOM 677 C VAL A 45 -26.276 -11.416 0.453 1.00 0.00 C ATOM 678 O VAL A 45 -26.173 -10.196 0.322 1.00 0.00 O ATOM 679 CB VAL A 45 -24.655 -12.285 2.133 1.00 0.00 C ATOM 680 CG1 VAL A 45 -24.415 -10.846 2.596 1.00 0.00 C ATOM 681 CG2 VAL A 45 -25.786 -12.905 2.957 1.00 0.00 C ATOM 0 H VAL A 45 -23.823 -10.774 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 45 -25.273 -13.306 0.339 1.00 0.00 H new ATOM 0 HB VAL A 45 -23.743 -12.866 2.271 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -24.138 -10.844 3.650 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -23.610 -10.404 2.008 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -25.326 -10.263 2.460 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -25.511 -12.904 4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -26.698 -12.323 2.819 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -25.956 -13.930 2.628 1.00 0.00 H new ATOM 691 N ALA A 46 -27.446 -12.052 0.433 1.00 0.00 N ATOM 692 CA ALA A 46 -28.703 -11.334 0.252 1.00 0.00 C ATOM 693 C ALA A 46 -29.808 -11.982 1.079 1.00 0.00 C ATOM 694 O ALA A 46 -30.066 -13.179 0.963 1.00 0.00 O ATOM 695 CB ALA A 46 -29.098 -11.347 -1.227 1.00 0.00 C ATOM 0 H ALA A 46 -27.548 -13.061 0.540 1.00 0.00 H new ATOM 0 HA ALA A 46 -28.568 -10.305 0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -30.037 -10.810 -1.357 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -28.319 -10.864 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -29.220 -12.377 -1.562 1.00 0.00 H new ATOM 701 N VAL A 47 -30.457 -11.173 1.912 1.00 0.00 N ATOM 702 CA VAL A 47 -31.542 -11.658 2.761 1.00 0.00 C ATOM 703 C VAL A 47 -32.872 -11.591 2.013 1.00 0.00 C ATOM 704 O VAL A 47 -33.159 -10.613 1.319 1.00 0.00 O ATOM 705 CB VAL A 47 -31.625 -10.824 4.038 1.00 0.00 C ATOM 706 CG1 VAL A 47 -32.763 -11.356 4.909 1.00 0.00 C ATOM 707 CG2 VAL A 47 -30.304 -10.930 4.805 1.00 0.00 C ATOM 0 H VAL A 47 -30.251 -10.180 2.017 1.00 0.00 H new ATOM 0 HA VAL A 47 -31.337 -12.695 3.025 1.00 0.00 H new ATOM 0 HB VAL A 47 -31.812 -9.781 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -32.828 -10.765 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -33.703 -11.284 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -32.570 -12.398 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -30.364 -10.335 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -30.116 -11.972 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -29.491 -10.559 4.182 1.00 0.00 H new ATOM 717 N TYR A 48 -33.685 -12.637 2.165 1.00 0.00 N ATOM 718 CA TYR A 48 -34.990 -12.702 1.510 1.00 0.00 C ATOM 719 C TYR A 48 -36.096 -12.690 2.554 1.00 0.00 C ATOM 720 O TYR A 48 -36.241 -13.631 3.335 1.00 0.00 O ATOM 721 CB TYR A 48 -35.083 -13.992 0.688 1.00 0.00 C ATOM 722 CG TYR A 48 -34.023 -13.979 -0.388 1.00 0.00 C ATOM 723 CD1 TYR A 48 -32.761 -14.534 -0.139 1.00 0.00 C ATOM 724 CD2 TYR A 48 -34.302 -13.408 -1.635 1.00 0.00 C ATOM 725 CE1 TYR A 48 -31.781 -14.519 -1.137 1.00 0.00 C ATOM 726 CE2 TYR A 48 -33.321 -13.394 -2.633 1.00 0.00 C ATOM 727 CZ TYR A 48 -32.061 -13.948 -2.385 1.00 0.00 C ATOM 728 OH TYR A 48 -31.093 -13.932 -3.370 1.00 0.00 O ATOM 0 H TYR A 48 -33.462 -13.451 2.737 1.00 0.00 H new ATOM 0 HA TYR A 48 -35.105 -11.838 0.855 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -34.949 -14.859 1.335 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -36.072 -14.079 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -32.545 -14.973 0.824 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -35.274 -12.978 -1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -30.808 -14.948 -0.945 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -33.537 -12.955 -3.596 1.00 0.00 H new ATOM 0 HH TYR A 48 -31.451 -13.500 -4.174 1.00 0.00 H new ATOM 738 N PHE A 49 -36.875 -11.614 2.563 1.00 0.00 N ATOM 739 CA PHE A 49 -37.970 -11.475 3.514 1.00 0.00 C ATOM 740 C PHE A 49 -39.298 -11.793 2.841 1.00 0.00 C ATOM 741 O PHE A 49 -39.727 -11.087 1.928 1.00 0.00 O ATOM 742 CB PHE A 49 -37.983 -10.051 4.057 1.00 0.00 C ATOM 743 CG PHE A 49 -38.992 -9.952 5.180 1.00 0.00 C ATOM 744 CD1 PHE A 49 -38.698 -10.517 6.425 1.00 0.00 C ATOM 745 CD2 PHE A 49 -40.221 -9.303 4.977 1.00 0.00 C ATOM 746 CE1 PHE A 49 -39.626 -10.435 7.471 1.00 0.00 C ATOM 747 CE2 PHE A 49 -41.148 -9.220 6.026 1.00 0.00 C ATOM 748 CZ PHE A 49 -40.851 -9.788 7.271 1.00 0.00 C ATOM 0 H PHE A 49 -36.768 -10.827 1.923 1.00 0.00 H new ATOM 0 HA PHE A 49 -37.826 -12.176 4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -36.992 -9.779 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -38.236 -9.349 3.262 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -37.754 -11.018 6.580 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -40.452 -8.869 4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -39.396 -10.871 8.432 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -42.092 -8.718 5.874 1.00 0.00 H new ATOM 0 HZ PHE A 49 -41.567 -9.727 8.077 1.00 0.00 H new ATOM 758 N LYS A 50 -39.940 -12.861 3.292 1.00 0.00 N ATOM 759 CA LYS A 50 -41.214 -13.271 2.718 1.00 0.00 C ATOM 760 C LYS A 50 -41.110 -13.397 1.202 1.00 0.00 C ATOM 761 O LYS A 50 -42.047 -13.064 0.477 1.00 0.00 O ATOM 762 CB LYS A 50 -42.307 -12.262 3.075 1.00 0.00 C ATOM 763 CG LYS A 50 -42.651 -12.383 4.560 1.00 0.00 C ATOM 764 CD LYS A 50 -43.794 -11.425 4.898 1.00 0.00 C ATOM 765 CE LYS A 50 -44.279 -11.693 6.324 1.00 0.00 C ATOM 766 NZ LYS A 50 -43.175 -11.425 7.288 1.00 0.00 N ATOM 0 H LYS A 50 -39.603 -13.456 4.049 1.00 0.00 H new ATOM 0 HA LYS A 50 -41.473 -14.245 3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -41.969 -11.250 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -43.195 -12.443 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -42.939 -13.408 4.795 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -41.776 -12.151 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -43.457 -10.393 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -44.614 -11.557 4.193 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -45.136 -11.059 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -44.613 -12.726 6.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -43.570 -11.045 8.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -42.667 -12.310 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -42.516 -10.733 6.877 1.00 0.00 H new ATOM 780 N GLY A 51 -39.971 -13.891 0.729 1.00 0.00 N ATOM 781 CA GLY A 51 -39.770 -14.066 -0.704 1.00 0.00 C ATOM 782 C GLY A 51 -39.519 -12.726 -1.390 1.00 0.00 C ATOM 783 O GLY A 51 -39.779 -12.575 -2.583 1.00 0.00 O ATOM 0 H GLY A 51 -39.181 -14.174 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -38.924 -14.731 -0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -40.646 -14.544 -1.142 1.00 0.00 H new ATOM 787 N GLU A 52 -39.015 -11.756 -0.628 1.00 0.00 N ATOM 788 CA GLU A 52 -38.737 -10.422 -1.167 1.00 0.00 C ATOM 789 C GLU A 52 -37.398 -9.909 -0.648 1.00 0.00 C ATOM 790 O GLU A 52 -37.086 -10.036 0.535 1.00 0.00 O ATOM 791 CB GLU A 52 -39.853 -9.453 -0.764 1.00 0.00 C ATOM 792 CG GLU A 52 -39.677 -8.118 -1.494 1.00 0.00 C ATOM 793 CD GLU A 52 -39.873 -8.308 -2.995 1.00 0.00 C ATOM 794 OE1 GLU A 52 -38.895 -8.589 -3.669 1.00 0.00 O ATOM 795 OE2 GLU A 52 -40.997 -8.169 -3.450 1.00 0.00 O ATOM 0 H GLU A 52 -38.791 -11.866 0.361 1.00 0.00 H new ATOM 0 HA GLU A 52 -38.692 -10.488 -2.254 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -40.825 -9.884 -1.006 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -39.835 -9.293 0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -40.395 -7.391 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -38.683 -7.716 -1.298 1.00 0.00 H new ATOM 802 N ARG A 53 -36.614 -9.324 -1.546 1.00 0.00 N ATOM 803 CA ARG A 53 -35.316 -8.788 -1.183 1.00 0.00 C ATOM 804 C ARG A 53 -35.484 -7.677 -0.173 1.00 0.00 C ATOM 805 O ARG A 53 -36.232 -6.726 -0.407 1.00 0.00 O ATOM 806 CB ARG A 53 -34.601 -8.252 -2.430 1.00 0.00 C ATOM 807 CG ARG A 53 -33.288 -7.568 -2.029 1.00 0.00 C ATOM 808 CD ARG A 53 -32.518 -7.157 -3.281 1.00 0.00 C ATOM 809 NE ARG A 53 -31.338 -6.385 -2.907 1.00 0.00 N ATOM 810 CZ ARG A 53 -31.429 -5.080 -2.655 1.00 0.00 C ATOM 811 NH1 ARG A 53 -30.367 -4.398 -2.322 1.00 0.00 N ATOM 812 NH2 ARG A 53 -32.585 -4.481 -2.738 1.00 0.00 N ATOM 0 H ARG A 53 -36.858 -9.211 -2.530 1.00 0.00 H new ATOM 0 HA ARG A 53 -34.715 -9.584 -0.744 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -34.398 -9.069 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -35.245 -7.544 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -33.496 -6.692 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -32.684 -8.245 -1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -32.221 -8.043 -3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -33.159 -6.565 -3.935 1.00 0.00 H new ATOM 0 HE ARG A 53 -30.433 -6.850 -2.838 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -29.462 -4.864 -2.254 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -30.442 -3.399 -2.130 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -33.417 -5.012 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -32.657 -3.482 -2.545 1.00 0.00 H new ATOM 826 N ILE A 54 -34.780 -7.791 0.947 1.00 0.00 N ATOM 827 CA ILE A 54 -34.856 -6.773 1.990 1.00 0.00 C ATOM 828 C ILE A 54 -33.537 -6.010 2.097 1.00 0.00 C ATOM 829 O ILE A 54 -33.523 -4.808 2.365 1.00 0.00 O ATOM 830 CB ILE A 54 -35.191 -7.425 3.333 1.00 0.00 C ATOM 831 CG1 ILE A 54 -35.350 -6.343 4.407 1.00 0.00 C ATOM 832 CG2 ILE A 54 -34.065 -8.375 3.732 1.00 0.00 C ATOM 833 CD1 ILE A 54 -36.110 -6.919 5.607 1.00 0.00 C ATOM 0 H ILE A 54 -34.156 -8.570 1.156 1.00 0.00 H new ATOM 0 HA ILE A 54 -35.644 -6.067 1.726 1.00 0.00 H new ATOM 0 HB ILE A 54 -36.123 -7.982 3.241 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -34.371 -5.983 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -35.888 -5.487 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -34.303 -8.840 4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -33.954 -9.147 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -33.133 -7.817 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -36.223 -6.149 6.370 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -37.095 -7.258 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -35.554 -7.761 6.020 1.00 0.00 H new ATOM 845 N GLY A 55 -32.429 -6.718 1.891 1.00 0.00 N ATOM 846 CA GLY A 55 -31.105 -6.102 1.969 1.00 0.00 C ATOM 847 C GLY A 55 -30.030 -7.074 1.500 1.00 0.00 C ATOM 848 O GLY A 55 -30.154 -8.285 1.685 1.00 0.00 O ATOM 0 H GLY A 55 -32.420 -7.714 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -31.081 -5.202 1.355 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.902 -5.794 2.995 1.00 0.00 H new ATOM 852 N CYS A 56 -28.964 -6.541 0.912 1.00 0.00 N ATOM 853 CA CYS A 56 -27.864 -7.378 0.449 1.00 0.00 C ATOM 854 C CYS A 56 -26.575 -6.566 0.395 1.00 0.00 C ATOM 855 O CYS A 56 -26.609 -5.341 0.275 1.00 0.00 O ATOM 856 CB CYS A 56 -28.177 -7.940 -0.940 1.00 0.00 C ATOM 857 SG CYS A 56 -28.261 -6.587 -2.138 1.00 0.00 S ATOM 0 H CYS A 56 -28.839 -5.542 0.746 1.00 0.00 H new ATOM 0 HA CYS A 56 -27.737 -8.205 1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -27.408 -8.654 -1.236 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -29.123 -8.480 -0.920 1.00 0.00 H new ATOM 0 HG CYS A 56 -27.660 -5.541 -1.654 1.00 0.00 H new ATOM 863 N GLY A 57 -25.442 -7.254 0.478 1.00 0.00 N ATOM 864 CA GLY A 57 -24.147 -6.585 0.430 1.00 0.00 C ATOM 865 C GLY A 57 -23.054 -7.549 -0.015 1.00 0.00 C ATOM 866 O GLY A 57 -23.227 -8.768 0.042 1.00 0.00 O ATOM 0 H GLY A 57 -25.393 -8.268 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -24.195 -5.740 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -23.904 -6.182 1.413 1.00 0.00 H new ATOM 870 N LYS A 58 -21.924 -6.997 -0.448 1.00 0.00 N ATOM 871 CA LYS A 58 -20.799 -7.818 -0.890 1.00 0.00 C ATOM 872 C LYS A 58 -19.477 -7.107 -0.620 1.00 0.00 C ATOM 873 O LYS A 58 -19.430 -5.882 -0.520 1.00 0.00 O ATOM 874 CB LYS A 58 -20.937 -8.121 -2.383 1.00 0.00 C ATOM 875 CG LYS A 58 -20.933 -6.811 -3.173 1.00 0.00 C ATOM 876 CD LYS A 58 -21.179 -7.111 -4.652 1.00 0.00 C ATOM 877 CE LYS A 58 -21.122 -5.808 -5.452 1.00 0.00 C ATOM 878 NZ LYS A 58 -22.206 -4.894 -4.992 1.00 0.00 N ATOM 0 H LYS A 58 -21.763 -5.991 -0.502 1.00 0.00 H new ATOM 0 HA LYS A 58 -20.806 -8.753 -0.330 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -20.117 -8.759 -2.713 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.861 -8.668 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.705 -6.142 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.978 -6.301 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.429 -7.811 -5.022 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.151 -7.587 -4.781 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -20.150 -5.331 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.235 -6.017 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.671 -4.464 -5.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -22.905 -5.434 -4.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.799 -4.146 -4.394 1.00 0.00 H new ATOM 892 N GLY A 59 -18.406 -7.886 -0.506 1.00 0.00 N ATOM 893 CA GLY A 59 -17.089 -7.316 -0.249 1.00 0.00 C ATOM 894 C GLY A 59 -16.045 -8.413 -0.047 1.00 0.00 C ATOM 895 O GLY A 59 -16.365 -9.602 -0.067 1.00 0.00 O ATOM 0 H GLY A 59 -18.423 -8.903 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.796 -6.680 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -17.130 -6.681 0.636 1.00 0.00 H new ATOM 899 N PRO A 60 -14.809 -8.032 0.146 1.00 0.00 N ATOM 900 CA PRO A 60 -13.684 -8.991 0.355 1.00 0.00 C ATOM 901 C PRO A 60 -13.758 -9.679 1.716 1.00 0.00 C ATOM 902 O PRO A 60 -12.974 -10.582 2.011 1.00 0.00 O ATOM 903 CB PRO A 60 -12.429 -8.115 0.224 1.00 0.00 C ATOM 904 CG PRO A 60 -12.876 -6.742 0.613 1.00 0.00 C ATOM 905 CD PRO A 60 -14.344 -6.632 0.186 1.00 0.00 C ATOM 0 HA PRO A 60 -13.700 -9.812 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -11.630 -8.470 0.875 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.041 -8.130 -0.794 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -12.771 -6.588 1.687 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -12.270 -5.981 0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -14.923 -6.039 0.894 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -14.442 -6.151 -0.787 1.00 0.00 H new ATOM 913 N SER A 61 -14.696 -9.237 2.548 1.00 0.00 N ATOM 914 CA SER A 61 -14.851 -9.802 3.884 1.00 0.00 C ATOM 915 C SER A 61 -16.312 -9.767 4.309 1.00 0.00 C ATOM 916 O SER A 61 -17.086 -8.922 3.858 1.00 0.00 O ATOM 917 CB SER A 61 -14.012 -9.007 4.884 1.00 0.00 C ATOM 918 OG SER A 61 -14.138 -9.590 6.175 1.00 0.00 O ATOM 0 H SER A 61 -15.357 -8.493 2.322 1.00 0.00 H new ATOM 0 HA SER A 61 -14.512 -10.838 3.864 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.967 -9.002 4.576 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.342 -7.968 4.908 1.00 0.00 H new ATOM 0 HG SER A 61 -13.599 -9.082 6.817 1.00 0.00 H new ATOM 924 N LYS A 62 -16.681 -10.702 5.172 1.00 0.00 N ATOM 925 CA LYS A 62 -18.051 -10.795 5.649 1.00 0.00 C ATOM 926 C LYS A 62 -18.449 -9.517 6.378 1.00 0.00 C ATOM 927 O LYS A 62 -19.594 -9.084 6.298 1.00 0.00 O ATOM 928 CB LYS A 62 -18.204 -11.987 6.595 1.00 0.00 C ATOM 929 CG LYS A 62 -18.048 -13.290 5.807 1.00 0.00 C ATOM 930 CD LYS A 62 -18.248 -14.483 6.745 1.00 0.00 C ATOM 931 CE LYS A 62 -18.109 -15.786 5.955 1.00 0.00 C ATOM 932 NZ LYS A 62 -16.711 -15.917 5.453 1.00 0.00 N ATOM 0 H LYS A 62 -16.051 -11.406 5.556 1.00 0.00 H new ATOM 0 HA LYS A 62 -18.703 -10.933 4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -17.455 -11.936 7.385 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.180 -11.957 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.775 -13.326 4.996 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.059 -13.335 5.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -17.513 -14.453 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -19.232 -14.431 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -18.360 -16.636 6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -18.809 -15.793 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -16.522 -16.910 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.588 -15.321 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.047 -15.612 6.192 1.00 0.00 H new ATOM 946 N LYS A 63 -17.503 -8.928 7.101 1.00 0.00 N ATOM 947 CA LYS A 63 -17.789 -7.712 7.854 1.00 0.00 C ATOM 948 C LYS A 63 -18.271 -6.602 6.923 1.00 0.00 C ATOM 949 O LYS A 63 -19.225 -5.891 7.235 1.00 0.00 O ATOM 950 CB LYS A 63 -16.518 -7.247 8.566 1.00 0.00 C ATOM 951 CG LYS A 63 -16.161 -8.230 9.683 1.00 0.00 C ATOM 952 CD LYS A 63 -14.886 -7.760 10.389 1.00 0.00 C ATOM 953 CE LYS A 63 -14.530 -8.745 11.505 1.00 0.00 C ATOM 954 NZ LYS A 63 -13.286 -8.293 12.192 1.00 0.00 N ATOM 0 H LYS A 63 -16.544 -9.267 7.182 1.00 0.00 H new ATOM 0 HA LYS A 63 -18.572 -7.929 8.581 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.696 -7.177 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.666 -6.250 8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.981 -8.298 10.398 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.014 -9.228 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.066 -7.691 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.033 -6.762 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.349 -8.811 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.387 -9.743 11.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.045 -8.963 12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.506 -8.252 11.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.438 -7.349 12.600 1.00 0.00 H new ATOM 968 N GLN A 64 -17.616 -6.462 5.778 1.00 0.00 N ATOM 969 CA GLN A 64 -18.005 -5.436 4.818 1.00 0.00 C ATOM 970 C GLN A 64 -19.388 -5.737 4.249 1.00 0.00 C ATOM 971 O GLN A 64 -20.200 -4.833 4.051 1.00 0.00 O ATOM 972 CB GLN A 64 -16.983 -5.363 3.682 1.00 0.00 C ATOM 973 CG GLN A 64 -17.255 -4.122 2.830 1.00 0.00 C ATOM 974 CD GLN A 64 -16.150 -3.951 1.792 1.00 0.00 C ATOM 975 OE1 GLN A 64 -16.351 -4.249 0.615 1.00 0.00 O ATOM 976 NE2 GLN A 64 -14.983 -3.501 2.165 1.00 0.00 N ATOM 0 H GLN A 64 -16.823 -7.037 5.493 1.00 0.00 H new ATOM 0 HA GLN A 64 -18.037 -4.476 5.332 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -15.973 -5.323 4.089 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -17.043 -6.260 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -18.221 -4.216 2.333 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -17.308 -3.238 3.466 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -14.820 -3.255 3.141 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -14.234 -3.395 1.480 1.00 0.00 H new ATOM 985 N ALA A 65 -19.645 -7.017 3.982 1.00 0.00 N ATOM 986 CA ALA A 65 -20.931 -7.433 3.431 1.00 0.00 C ATOM 987 C ALA A 65 -22.059 -7.120 4.407 1.00 0.00 C ATOM 988 O ALA A 65 -23.123 -6.644 4.009 1.00 0.00 O ATOM 989 CB ALA A 65 -20.914 -8.934 3.137 1.00 0.00 C ATOM 0 H ALA A 65 -18.984 -7.778 4.137 1.00 0.00 H new ATOM 0 HA ALA A 65 -21.101 -6.883 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.878 -9.235 2.726 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.127 -9.155 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -20.725 -9.483 4.059 1.00 0.00 H new ATOM 995 N LYS A 66 -21.819 -7.383 5.687 1.00 0.00 N ATOM 996 CA LYS A 66 -22.821 -7.118 6.710 1.00 0.00 C ATOM 997 C LYS A 66 -23.149 -5.633 6.761 1.00 0.00 C ATOM 998 O LYS A 66 -24.310 -5.252 6.920 1.00 0.00 O ATOM 999 CB LYS A 66 -22.309 -7.575 8.077 1.00 0.00 C ATOM 1000 CG LYS A 66 -22.269 -9.102 8.120 1.00 0.00 C ATOM 1001 CD LYS A 66 -21.730 -9.569 9.475 1.00 0.00 C ATOM 1002 CE LYS A 66 -21.682 -11.099 9.508 1.00 0.00 C ATOM 1003 NZ LYS A 66 -21.152 -11.550 10.827 1.00 0.00 N ATOM 0 H LYS A 66 -20.946 -7.776 6.038 1.00 0.00 H new ATOM 0 HA LYS A 66 -23.725 -7.673 6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -21.314 -7.169 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -22.958 -7.195 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -23.268 -9.506 7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -21.637 -9.481 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -20.734 -9.160 9.642 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -22.366 -9.197 10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -22.679 -11.509 9.345 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.049 -11.471 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.119 -12.589 10.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.194 -11.170 10.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.773 -11.206 11.587 1.00 0.00 H new ATOM 1017 N MET A 67 -22.122 -4.800 6.633 1.00 0.00 N ATOM 1018 CA MET A 67 -22.320 -3.356 6.677 1.00 0.00 C ATOM 1019 C MET A 67 -23.249 -2.912 5.559 1.00 0.00 C ATOM 1020 O MET A 67 -24.207 -2.176 5.793 1.00 0.00 O ATOM 1021 CB MET A 67 -20.971 -2.641 6.537 1.00 0.00 C ATOM 1022 CG MET A 67 -21.149 -1.129 6.716 1.00 0.00 C ATOM 1023 SD MET A 67 -21.688 -0.780 8.411 1.00 0.00 S ATOM 1024 CE MET A 67 -20.155 -1.246 9.258 1.00 0.00 C ATOM 0 H MET A 67 -21.155 -5.095 6.499 1.00 0.00 H new ATOM 0 HA MET A 67 -22.772 -3.097 7.635 1.00 0.00 H new ATOM 0 HB2 MET A 67 -20.271 -3.022 7.280 1.00 0.00 H new ATOM 0 HB3 MET A 67 -20.541 -2.850 5.557 1.00 0.00 H new ATOM 0 HG2 MET A 67 -20.211 -0.615 6.508 1.00 0.00 H new ATOM 0 HG3 MET A 67 -21.884 -0.752 6.005 1.00 0.00 H new ATOM 0 HE1 MET A 67 -20.055 -0.666 10.175 1.00 0.00 H new ATOM 0 HE2 MET A 67 -20.182 -2.308 9.502 1.00 0.00 H new ATOM 0 HE3 MET A 67 -19.304 -1.045 8.607 1.00 0.00 H new ATOM 1034 N GLY A 68 -22.963 -3.367 4.345 1.00 0.00 N ATOM 1035 CA GLY A 68 -23.780 -3.004 3.198 1.00 0.00 C ATOM 1036 C GLY A 68 -25.160 -3.648 3.273 1.00 0.00 C ATOM 1037 O GLY A 68 -26.164 -3.017 2.957 1.00 0.00 O ATOM 0 H GLY A 68 -22.178 -3.983 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -23.885 -1.920 3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -23.281 -3.315 2.280 1.00 0.00 H new ATOM 1041 N ALA A 69 -25.202 -4.909 3.682 1.00 0.00 N ATOM 1042 CA ALA A 69 -26.472 -5.616 3.768 1.00 0.00 C ATOM 1043 C ALA A 69 -27.417 -4.939 4.756 1.00 0.00 C ATOM 1044 O ALA A 69 -28.571 -4.660 4.426 1.00 0.00 O ATOM 1045 CB ALA A 69 -26.220 -7.057 4.216 1.00 0.00 C ATOM 0 H ALA A 69 -24.386 -5.456 3.955 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.939 -5.602 2.783 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.169 -7.589 4.281 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -25.574 -7.555 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -25.737 -7.055 5.193 1.00 0.00 H new ATOM 1051 N ALA A 70 -26.922 -4.673 5.959 1.00 0.00 N ATOM 1052 CA ALA A 70 -27.740 -4.023 6.978 1.00 0.00 C ATOM 1053 C ALA A 70 -28.126 -2.608 6.548 1.00 0.00 C ATOM 1054 O ALA A 70 -29.283 -2.202 6.652 1.00 0.00 O ATOM 1055 CB ALA A 70 -26.962 -3.979 8.301 1.00 0.00 C ATOM 0 H ALA A 70 -25.970 -4.894 6.251 1.00 0.00 H new ATOM 0 HA ALA A 70 -28.657 -4.596 7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -27.570 -3.494 9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -26.724 -4.995 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -26.039 -3.417 8.162 1.00 0.00 H new ATOM 1061 N MET A 71 -27.136 -1.868 6.066 1.00 0.00 N ATOM 1062 CA MET A 71 -27.356 -0.503 5.623 1.00 0.00 C ATOM 1063 C MET A 71 -28.333 -0.469 4.456 1.00 0.00 C ATOM 1064 O MET A 71 -29.157 0.439 4.359 1.00 0.00 O ATOM 1065 CB MET A 71 -26.027 0.143 5.228 1.00 0.00 C ATOM 1066 CG MET A 71 -26.260 1.611 4.847 1.00 0.00 C ATOM 1067 SD MET A 71 -24.694 2.364 4.339 1.00 0.00 S ATOM 1068 CE MET A 71 -24.497 1.490 2.762 1.00 0.00 C ATOM 0 H MET A 71 -26.174 -2.193 5.973 1.00 0.00 H new ATOM 0 HA MET A 71 -27.789 0.064 6.447 1.00 0.00 H new ATOM 0 HB2 MET A 71 -25.320 0.080 6.055 1.00 0.00 H new ATOM 0 HB3 MET A 71 -25.585 -0.395 4.389 1.00 0.00 H new ATOM 0 HG2 MET A 71 -26.986 1.676 4.036 1.00 0.00 H new ATOM 0 HG3 MET A 71 -26.679 2.155 5.694 1.00 0.00 H new ATOM 0 HE1 MET A 71 -23.891 2.092 2.085 1.00 0.00 H new ATOM 0 HE2 MET A 71 -24.005 0.533 2.935 1.00 0.00 H new ATOM 0 HE3 MET A 71 -25.477 1.319 2.316 1.00 0.00 H new ATOM 1078 N ASP A 72 -28.229 -1.447 3.561 1.00 0.00 N ATOM 1079 CA ASP A 72 -29.105 -1.492 2.402 1.00 0.00 C ATOM 1080 C ASP A 72 -30.560 -1.548 2.842 1.00 0.00 C ATOM 1081 O ASP A 72 -31.387 -0.765 2.375 1.00 0.00 O ATOM 1082 CB ASP A 72 -28.773 -2.730 1.565 1.00 0.00 C ATOM 1083 CG ASP A 72 -29.682 -2.803 0.344 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -30.885 -2.726 0.521 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -29.160 -2.935 -0.751 1.00 0.00 O ATOM 0 H ASP A 72 -27.554 -2.210 3.617 1.00 0.00 H new ATOM 0 HA ASP A 72 -28.954 -0.592 1.806 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -27.730 -2.695 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -28.892 -3.629 2.170 1.00 0.00 H new ATOM 1090 N ALA A 73 -30.870 -2.462 3.751 1.00 0.00 N ATOM 1091 CA ALA A 73 -32.230 -2.583 4.247 1.00 0.00 C ATOM 1092 C ALA A 73 -32.646 -1.314 4.979 1.00 0.00 C ATOM 1093 O ALA A 73 -33.768 -0.837 4.831 1.00 0.00 O ATOM 1094 CB ALA A 73 -32.344 -3.776 5.191 1.00 0.00 C ATOM 0 H ALA A 73 -30.206 -3.122 4.155 1.00 0.00 H new ATOM 0 HA ALA A 73 -32.892 -2.734 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -33.368 -3.855 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -32.077 -4.689 4.658 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -31.668 -3.638 6.035 1.00 0.00 H new ATOM 1100 N LEU A 74 -31.725 -0.769 5.767 1.00 0.00 N ATOM 1101 CA LEU A 74 -32.004 0.446 6.520 1.00 0.00 C ATOM 1102 C LEU A 74 -32.373 1.584 5.581 1.00 0.00 C ATOM 1103 O LEU A 74 -33.342 2.306 5.818 1.00 0.00 O ATOM 1104 CB LEU A 74 -30.780 0.832 7.363 1.00 0.00 C ATOM 1105 CG LEU A 74 -31.022 2.178 8.070 1.00 0.00 C ATOM 1106 CD1 LEU A 74 -32.279 2.092 8.953 1.00 0.00 C ATOM 1107 CD2 LEU A 74 -29.800 2.534 8.934 1.00 0.00 C ATOM 0 H LEU A 74 -30.787 -1.146 5.900 1.00 0.00 H new ATOM 0 HA LEU A 74 -32.849 0.259 7.183 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -30.579 0.056 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -29.898 0.901 6.726 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.171 2.954 7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -32.442 3.049 9.449 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.143 1.853 8.333 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -32.144 1.313 9.703 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -29.973 3.487 9.434 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -29.643 1.756 9.681 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -28.917 2.612 8.300 1.00 0.00 H new ATOM 1119 N GLU A 75 -31.594 1.748 4.523 1.00 0.00 N ATOM 1120 CA GLU A 75 -31.849 2.815 3.568 1.00 0.00 C ATOM 1121 C GLU A 75 -33.190 2.604 2.881 1.00 0.00 C ATOM 1122 O GLU A 75 -33.943 3.553 2.667 1.00 0.00 O ATOM 1123 CB GLU A 75 -30.733 2.851 2.522 1.00 0.00 C ATOM 1124 CG GLU A 75 -30.973 4.008 1.549 1.00 0.00 C ATOM 1125 CD GLU A 75 -29.816 4.106 0.562 1.00 0.00 C ATOM 1126 OE1 GLU A 75 -28.898 3.309 0.673 1.00 0.00 O ATOM 1127 OE2 GLU A 75 -29.863 4.977 -0.292 1.00 0.00 O ATOM 0 H GLU A 75 -30.788 1.162 4.305 1.00 0.00 H new ATOM 0 HA GLU A 75 -31.875 3.764 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -29.766 2.970 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -30.701 1.907 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -31.909 3.854 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -31.072 4.943 2.100 1.00 0.00 H new ATOM 1134 N LYS A 76 -33.478 1.358 2.531 1.00 0.00 N ATOM 1135 CA LYS A 76 -34.732 1.044 1.858 1.00 0.00 C ATOM 1136 C LYS A 76 -35.903 1.175 2.823 1.00 0.00 C ATOM 1137 O LYS A 76 -37.001 1.570 2.433 1.00 0.00 O ATOM 1138 CB LYS A 76 -34.687 -0.384 1.310 1.00 0.00 C ATOM 1139 CG LYS A 76 -35.866 -0.633 0.356 1.00 0.00 C ATOM 1140 CD LYS A 76 -35.551 -0.074 -1.039 1.00 0.00 C ATOM 1141 CE LYS A 76 -36.686 -0.428 -1.998 1.00 0.00 C ATOM 1142 NZ LYS A 76 -36.337 0.060 -3.361 1.00 0.00 N ATOM 0 H LYS A 76 -32.869 0.557 2.699 1.00 0.00 H new ATOM 0 HA LYS A 76 -34.867 1.748 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -33.746 -0.549 0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -34.721 -1.097 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -36.069 -1.702 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -36.767 -0.161 0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -35.427 1.008 -0.989 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -34.610 -0.487 -1.404 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -36.844 -1.506 -2.013 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -37.618 0.026 -1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -37.105 -0.177 -4.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -36.206 1.091 -3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -35.456 -0.394 -3.677 1.00 0.00 H new ATOM 1156 N TYR A 77 -35.659 0.840 4.082 1.00 0.00 N ATOM 1157 CA TYR A 77 -36.698 0.925 5.097 1.00 0.00 C ATOM 1158 C TYR A 77 -37.859 -0.013 4.758 1.00 0.00 C ATOM 1159 O TYR A 77 -38.371 -0.010 3.638 1.00 0.00 O ATOM 1160 CB TYR A 77 -37.200 2.388 5.203 1.00 0.00 C ATOM 1161 CG TYR A 77 -37.079 2.885 6.631 1.00 0.00 C ATOM 1162 CD1 TYR A 77 -36.084 3.809 6.968 1.00 0.00 C ATOM 1163 CD2 TYR A 77 -37.953 2.407 7.613 1.00 0.00 C ATOM 1164 CE1 TYR A 77 -35.962 4.254 8.288 1.00 0.00 C ATOM 1165 CE2 TYR A 77 -37.834 2.855 8.932 1.00 0.00 C ATOM 1166 CZ TYR A 77 -36.837 3.777 9.270 1.00 0.00 C ATOM 1167 OH TYR A 77 -36.715 4.215 10.572 1.00 0.00 O ATOM 0 H TYR A 77 -34.757 0.509 4.423 1.00 0.00 H new ATOM 0 HA TYR A 77 -36.283 0.618 6.057 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -36.620 3.028 4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -38.238 2.448 4.877 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -35.410 4.178 6.209 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -38.719 1.692 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -35.193 4.966 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -38.511 2.490 9.690 1.00 0.00 H new ATOM 0 HH TYR A 77 -37.400 3.787 11.127 1.00 0.00 H new ATOM 1177 N ASN A 78 -38.274 -0.804 5.742 1.00 0.00 N ATOM 1178 CA ASN A 78 -39.382 -1.733 5.555 1.00 0.00 C ATOM 1179 C ASN A 78 -40.717 -1.022 5.762 1.00 0.00 C ATOM 1180 O ASN A 78 -40.860 -0.198 6.666 1.00 0.00 O ATOM 1181 CB ASN A 78 -39.262 -2.894 6.540 1.00 0.00 C ATOM 1182 CG ASN A 78 -38.036 -3.734 6.204 1.00 0.00 C ATOM 1183 OD1 ASN A 78 -38.093 -4.576 5.213 1.00 0.00 O flip ATOM 1184 ND2 ASN A 78 -37.004 -3.621 6.866 1.00 0.00 N flip ATOM 0 H ASN A 78 -37.861 -0.820 6.674 1.00 0.00 H new ATOM 0 HA ASN A 78 -39.342 -2.117 4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -39.184 -2.512 7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -40.159 -3.512 6.499 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -36.965 -2.959 7.641 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -36.188 -4.189 6.639 1.00 0.00 H new ATOM 1191 N PHE A 79 -41.690 -1.357 4.923 1.00 0.00 N ATOM 1192 CA PHE A 79 -43.019 -0.760 5.017 1.00 0.00 C ATOM 1193 C PHE A 79 -44.048 -1.650 4.325 1.00 0.00 C ATOM 1194 O PHE A 79 -44.568 -1.307 3.262 1.00 0.00 O ATOM 1195 CB PHE A 79 -43.020 0.643 4.378 1.00 0.00 C ATOM 1196 CG PHE A 79 -42.543 1.667 5.383 1.00 0.00 C ATOM 1197 CD1 PHE A 79 -41.248 2.193 5.304 1.00 0.00 C ATOM 1198 CD2 PHE A 79 -43.408 2.088 6.398 1.00 0.00 C ATOM 1199 CE1 PHE A 79 -40.819 3.136 6.247 1.00 0.00 C ATOM 1200 CE2 PHE A 79 -42.981 3.029 7.337 1.00 0.00 C ATOM 1201 CZ PHE A 79 -41.687 3.556 7.262 1.00 0.00 C ATOM 0 H PHE A 79 -41.585 -2.038 4.171 1.00 0.00 H new ATOM 0 HA PHE A 79 -43.285 -0.667 6.070 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -42.373 0.653 3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -44.024 0.896 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -40.581 1.872 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -44.408 1.685 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -39.819 3.539 6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -43.650 3.350 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 79 -41.358 4.286 7.987 1.00 0.00 H new