USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 543 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 46 CYS SG : rot 142:sc= -0.863 USER MOD Set 1.2: A 52 CYS SG : rot 141:sc= -0.294 USER MOD Set 1.3: A 62 CYS SG : rot -159:sc= 0.728 USER MOD Set 1.4: A 65 CYS SG : rot 144:sc= -0.202 USER MOD Set 2.1: A 10 CYS SG : rot 158:sc= 0.844 USER MOD Set 2.2: A 13 CYS SG : rot -41:sc= 1.09 USER MOD Set 2.3: A 27 CYS SG : rot -132:sc= 1.87 USER MOD Set 2.4: A 30 CYS SG : rot 83:sc= 0.625 USER MOD Set 2.5: A 56 GLN :FLIP amide:sc= -0.59 F(o=2.9,f=3.8) USER MOD Set 3.1: A 26 THR OG1 : rot 21:sc= -0.0662 USER MOD Set 3.2: A 75 MET CE :methyl -157:sc= -1.85 (180deg=-2.87) USER MOD Set 4.1: A 18 SER OG : rot 75:sc= 0.0201 USER MOD Set 4.2: A 21 HIS : no HE2:sc= -0.447 X(o=-0.43,f=-0.24) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.0453 (180deg=-0.61) USER MOD Single : A 17 SER OG : rot -150:sc= 0.019 USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.00252 (180deg=0) USER MOD Single : A 22 TYR OH : rot -152:sc= 0.187 USER MOD Single : A 24 GLN : amide:sc= -0.882 X(o=-0.88,f=-0.49) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -51:sc= 0.367 USER MOD Single : A 41 ASN :FLIP amide:sc= 0.312 F(o=-0.72,f=0.31) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 44 TYR OH : rot -30:sc= -0.358 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.922 K(o=-0.92,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.777 USER MOD Single : A 68 LYS NZ :NH3+ -157:sc= -0.0679 (180deg=-0.416) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -88:sc= -0.0295 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 -6.528 15.255 2.511 1.00 0.00 N ATOM 67 CA ILE A 8 -6.192 14.140 3.388 1.00 0.00 C ATOM 68 C ILE A 8 -4.975 13.380 2.871 1.00 0.00 C ATOM 69 O ILE A 8 -4.801 13.218 1.663 1.00 0.00 O ATOM 70 CB ILE A 8 -7.372 13.161 3.530 1.00 0.00 C ATOM 71 CG1 ILE A 8 -8.675 13.929 3.761 1.00 0.00 C ATOM 72 CG2 ILE A 8 -7.117 12.186 4.669 1.00 0.00 C ATOM 73 CD1 ILE A 8 -9.904 13.047 3.768 1.00 0.00 C ATOM 0 HA ILE A 8 -5.963 14.565 4.365 1.00 0.00 H new ATOM 0 HB ILE A 8 -7.466 12.592 2.605 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.612 14.458 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.785 14.685 2.983 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.960 11.501 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.208 11.619 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.000 12.738 5.601 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.790 13.659 3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.992 12.538 2.808 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -9.817 12.308 4.564 1.00 0.00 H new ATOM 85 N GLU A 9 -4.138 12.916 3.793 1.00 0.00 N ATOM 86 CA GLU A 9 -2.938 12.172 3.429 1.00 0.00 C ATOM 87 C GLU A 9 -3.126 10.679 3.683 1.00 0.00 C ATOM 88 O GLU A 9 -4.088 10.264 4.329 1.00 0.00 O ATOM 89 CB GLU A 9 -1.733 12.687 4.219 1.00 0.00 C ATOM 90 CG GLU A 9 -2.045 12.997 5.673 1.00 0.00 C ATOM 91 CD GLU A 9 -0.821 12.915 6.563 1.00 0.00 C ATOM 92 OE1 GLU A 9 -0.376 11.786 6.857 1.00 0.00 O ATOM 93 OE2 GLU A 9 -0.307 13.980 6.966 1.00 0.00 O ATOM 0 H GLU A 9 -4.268 13.042 4.797 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.757 12.322 2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.937 11.943 4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.352 13.588 3.738 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -2.474 13.996 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -2.800 12.299 6.035 1.00 0.00 H new ATOM 100 N CYS A 10 -2.200 9.877 3.169 1.00 0.00 N ATOM 101 CA CYS A 10 -2.262 8.430 3.338 1.00 0.00 C ATOM 102 C CYS A 10 -1.655 8.012 4.674 1.00 0.00 C ATOM 103 O CYS A 10 -0.524 8.374 4.995 1.00 0.00 O ATOM 104 CB CYS A 10 -1.529 7.730 2.191 1.00 0.00 C ATOM 105 SG CYS A 10 -1.597 5.911 2.266 1.00 0.00 S ATOM 0 H CYS A 10 -1.397 10.205 2.632 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.310 8.132 3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.958 8.060 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.485 8.044 2.195 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.377 5.419 1.083 1.00 0.00 H new ATOM 110 N VAL A 11 -2.417 7.246 5.449 1.00 0.00 N ATOM 111 CA VAL A 11 -1.955 6.776 6.750 1.00 0.00 C ATOM 112 C VAL A 11 -0.951 5.639 6.599 1.00 0.00 C ATOM 113 O VAL A 11 -0.573 4.996 7.578 1.00 0.00 O ATOM 114 CB VAL A 11 -3.129 6.297 7.623 1.00 0.00 C ATOM 115 CG1 VAL A 11 -3.987 7.475 8.058 1.00 0.00 C ATOM 116 CG2 VAL A 11 -3.963 5.267 6.875 1.00 0.00 C ATOM 0 H VAL A 11 -3.357 6.938 5.198 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.471 7.622 7.238 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.724 5.824 8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.812 7.117 8.674 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.380 8.174 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.385 7.980 7.178 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.789 4.939 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.359 5.713 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.339 4.410 6.619 1.00 0.00 H new ATOM 126 N VAL A 12 -0.521 5.396 5.365 1.00 0.00 N ATOM 127 CA VAL A 12 0.441 4.337 5.085 1.00 0.00 C ATOM 128 C VAL A 12 1.751 4.911 4.556 1.00 0.00 C ATOM 129 O VAL A 12 2.817 4.686 5.131 1.00 0.00 O ATOM 130 CB VAL A 12 -0.115 3.329 4.062 1.00 0.00 C ATOM 131 CG1 VAL A 12 0.886 2.212 3.814 1.00 0.00 C ATOM 132 CG2 VAL A 12 -1.446 2.768 4.538 1.00 0.00 C ATOM 0 H VAL A 12 -0.824 5.918 4.543 1.00 0.00 H new ATOM 0 HA VAL A 12 0.627 3.821 6.027 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.282 3.849 3.119 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.475 1.510 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.813 2.634 3.426 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.088 1.690 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.825 2.057 3.803 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.307 2.263 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.161 3.581 4.659 1.00 0.00 H new ATOM 142 N CYS A 13 1.665 5.652 3.457 1.00 0.00 N ATOM 143 CA CYS A 13 2.843 6.259 2.849 1.00 0.00 C ATOM 144 C CYS A 13 2.823 7.776 3.018 1.00 0.00 C ATOM 145 O CYS A 13 3.842 8.443 2.853 1.00 0.00 O ATOM 146 CB CYS A 13 2.918 5.902 1.364 1.00 0.00 C ATOM 147 SG CYS A 13 1.485 6.466 0.390 1.00 0.00 S ATOM 0 H CYS A 13 0.791 5.847 2.969 1.00 0.00 H new ATOM 0 HA CYS A 13 3.725 5.866 3.355 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.824 6.337 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.008 4.820 1.265 1.00 0.00 H new ATOM 0 HG CYS A 13 0.393 6.262 1.066 1.00 0.00 H new ATOM 152 N GLY A 14 1.652 8.313 3.350 1.00 0.00 N ATOM 153 CA GLY A 14 1.520 9.746 3.536 1.00 0.00 C ATOM 154 C GLY A 14 0.966 10.442 2.309 1.00 0.00 C ATOM 155 O GLY A 14 0.545 11.596 2.378 1.00 0.00 O ATOM 0 H GLY A 14 0.793 7.781 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.866 9.940 4.386 1.00 0.00 H new ATOM 0 HA3 GLY A 14 2.495 10.169 3.781 1.00 0.00 H new ATOM 159 N ASP A 15 0.968 9.739 1.181 1.00 0.00 N ATOM 160 CA ASP A 15 0.462 10.296 -0.068 1.00 0.00 C ATOM 161 C ASP A 15 -0.974 10.783 0.097 1.00 0.00 C ATOM 162 O ASP A 15 -1.779 10.157 0.787 1.00 0.00 O ATOM 163 CB ASP A 15 0.535 9.252 -1.183 1.00 0.00 C ATOM 164 CG ASP A 15 0.180 9.829 -2.540 1.00 0.00 C ATOM 165 OD1 ASP A 15 0.410 11.038 -2.749 1.00 0.00 O ATOM 166 OD2 ASP A 15 -0.327 9.070 -3.392 1.00 0.00 O ATOM 0 H ASP A 15 1.314 8.783 1.106 1.00 0.00 H new ATOM 0 HA ASP A 15 1.087 11.148 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.541 8.835 -1.221 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.143 8.430 -0.952 1.00 0.00 H new ATOM 171 N LYS A 16 -1.290 11.905 -0.541 1.00 0.00 N ATOM 172 CA LYS A 16 -2.629 12.478 -0.467 1.00 0.00 C ATOM 173 C LYS A 16 -3.692 11.395 -0.620 1.00 0.00 C ATOM 174 O LYS A 16 -3.945 10.912 -1.724 1.00 0.00 O ATOM 175 CB LYS A 16 -2.811 13.544 -1.549 1.00 0.00 C ATOM 176 CG LYS A 16 -3.763 14.658 -1.152 1.00 0.00 C ATOM 177 CD LYS A 16 -5.196 14.329 -1.536 1.00 0.00 C ATOM 178 CE LYS A 16 -5.533 14.843 -2.927 1.00 0.00 C ATOM 179 NZ LYS A 16 -5.212 13.841 -3.981 1.00 0.00 N ATOM 0 H LYS A 16 -0.636 12.436 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.746 12.942 0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.839 13.976 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.181 13.068 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.702 14.824 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.460 15.587 -1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.345 13.250 -1.500 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.879 14.769 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.593 15.094 -2.975 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.979 15.762 -3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.758 14.054 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.196 13.879 -4.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.458 12.889 -3.641 1.00 0.00 H new ATOM 193 N SER A 17 -4.314 11.020 0.493 1.00 0.00 N ATOM 194 CA SER A 17 -5.349 9.993 0.482 1.00 0.00 C ATOM 195 C SER A 17 -6.410 10.303 -0.569 1.00 0.00 C ATOM 196 O SER A 17 -6.757 11.463 -0.794 1.00 0.00 O ATOM 197 CB SER A 17 -5.999 9.880 1.862 1.00 0.00 C ATOM 198 OG SER A 17 -7.187 9.108 1.804 1.00 0.00 O ATOM 0 H SER A 17 -4.119 11.412 1.414 1.00 0.00 H new ATOM 0 HA SER A 17 -4.880 9.042 0.230 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.299 9.423 2.561 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.227 10.876 2.243 1.00 0.00 H new ATOM 0 HG SER A 17 -7.811 9.416 2.494 1.00 0.00 H new ATOM 204 N SER A 18 -6.923 9.257 -1.210 1.00 0.00 N ATOM 205 CA SER A 18 -7.942 9.417 -2.240 1.00 0.00 C ATOM 206 C SER A 18 -9.327 9.092 -1.689 1.00 0.00 C ATOM 207 O SER A 18 -10.208 8.640 -2.419 1.00 0.00 O ATOM 208 CB SER A 18 -7.633 8.515 -3.437 1.00 0.00 C ATOM 209 OG SER A 18 -7.550 7.156 -3.043 1.00 0.00 O ATOM 0 H SER A 18 -6.649 8.290 -1.034 1.00 0.00 H new ATOM 0 HA SER A 18 -7.934 10.457 -2.566 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.409 8.631 -4.194 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.693 8.822 -3.895 1.00 0.00 H new ATOM 0 HG SER A 18 -8.451 6.809 -2.873 1.00 0.00 H new ATOM 215 N GLY A 19 -9.512 9.327 -0.393 1.00 0.00 N ATOM 216 CA GLY A 19 -10.791 9.055 0.236 1.00 0.00 C ATOM 217 C GLY A 19 -10.678 8.059 1.373 1.00 0.00 C ATOM 218 O GLY A 19 -9.599 7.528 1.638 1.00 0.00 O ATOM 0 H GLY A 19 -8.798 9.701 0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.212 9.987 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.486 8.671 -0.511 1.00 0.00 H new ATOM 222 N LYS A 20 -11.793 7.807 2.049 1.00 0.00 N ATOM 223 CA LYS A 20 -11.816 6.869 3.166 1.00 0.00 C ATOM 224 C LYS A 20 -12.105 5.452 2.681 1.00 0.00 C ATOM 225 O LYS A 20 -13.233 4.968 2.784 1.00 0.00 O ATOM 226 CB LYS A 20 -12.868 7.292 4.193 1.00 0.00 C ATOM 227 CG LYS A 20 -13.089 6.270 5.294 1.00 0.00 C ATOM 228 CD LYS A 20 -13.618 6.920 6.562 1.00 0.00 C ATOM 229 CE LYS A 20 -12.488 7.469 7.419 1.00 0.00 C ATOM 230 NZ LYS A 20 -12.981 8.447 8.428 1.00 0.00 N ATOM 0 H LYS A 20 -12.694 8.239 1.843 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.833 6.880 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.565 8.238 4.642 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.813 7.471 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.794 5.512 4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.151 5.759 5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -14.303 7.727 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.190 6.190 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.985 6.646 7.927 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.748 7.949 6.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.511 9.363 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.009 8.565 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.768 8.097 9.384 1.00 0.00 H new ATOM 244 N HIS A 21 -11.080 4.791 2.152 1.00 0.00 N ATOM 245 CA HIS A 21 -11.225 3.429 1.652 1.00 0.00 C ATOM 246 C HIS A 21 -10.920 2.413 2.749 1.00 0.00 C ATOM 247 O HIS A 21 -9.878 2.483 3.402 1.00 0.00 O ATOM 248 CB HIS A 21 -10.298 3.200 0.458 1.00 0.00 C ATOM 249 CG HIS A 21 -10.575 4.111 -0.698 1.00 0.00 C ATOM 250 ND1 HIS A 21 -11.821 4.237 -1.276 1.00 0.00 N ATOM 251 CD2 HIS A 21 -9.758 4.944 -1.384 1.00 0.00 C ATOM 252 CE1 HIS A 21 -11.758 5.107 -2.267 1.00 0.00 C ATOM 253 NE2 HIS A 21 -10.517 5.552 -2.354 1.00 0.00 N ATOM 0 H HIS A 21 -10.140 5.177 2.059 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.258 3.294 1.332 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -9.265 3.337 0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.394 2.166 0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -12.660 3.736 -0.983 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -8.705 5.101 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.581 5.405 -2.899 1.00 0.00 H new ATOM 261 N TYR A 22 -11.836 1.471 2.947 1.00 0.00 N ATOM 262 CA TYR A 22 -11.667 0.443 3.967 1.00 0.00 C ATOM 263 C TYR A 22 -11.731 1.048 5.366 1.00 0.00 C ATOM 264 O TYR A 22 -10.991 0.647 6.263 1.00 0.00 O ATOM 265 CB TYR A 22 -10.334 -0.282 3.774 1.00 0.00 C ATOM 266 CG TYR A 22 -10.062 -0.677 2.340 1.00 0.00 C ATOM 267 CD1 TYR A 22 -10.734 -1.742 1.753 1.00 0.00 C ATOM 268 CD2 TYR A 22 -9.133 0.015 1.573 1.00 0.00 C ATOM 269 CE1 TYR A 22 -10.488 -2.107 0.443 1.00 0.00 C ATOM 270 CE2 TYR A 22 -8.882 -0.342 0.262 1.00 0.00 C ATOM 271 CZ TYR A 22 -9.561 -1.403 -0.298 1.00 0.00 C ATOM 272 OH TYR A 22 -9.314 -1.763 -1.603 1.00 0.00 O ATOM 0 H TYR A 22 -12.703 1.398 2.415 1.00 0.00 H new ATOM 0 HA TYR A 22 -12.482 -0.274 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.526 0.361 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -10.323 -1.176 4.397 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.461 -2.294 2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.598 0.846 2.009 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -11.018 -2.938 0.002 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -8.158 0.207 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.396 -1.516 -1.842 1.00 0.00 H new ATOM 282 N GLY A 23 -12.624 2.018 5.544 1.00 0.00 N ATOM 283 CA GLY A 23 -12.770 2.663 6.836 1.00 0.00 C ATOM 284 C GLY A 23 -11.507 3.377 7.274 1.00 0.00 C ATOM 285 O GLY A 23 -11.301 3.612 8.464 1.00 0.00 O ATOM 0 H GLY A 23 -13.248 2.368 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.591 3.379 6.791 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.039 1.916 7.583 1.00 0.00 H new ATOM 289 N GLN A 24 -10.659 3.721 6.310 1.00 0.00 N ATOM 290 CA GLN A 24 -9.408 4.410 6.603 1.00 0.00 C ATOM 291 C GLN A 24 -8.979 5.283 5.429 1.00 0.00 C ATOM 292 O GLN A 24 -9.149 4.909 4.269 1.00 0.00 O ATOM 293 CB GLN A 24 -8.308 3.398 6.930 1.00 0.00 C ATOM 294 CG GLN A 24 -7.267 3.924 7.904 1.00 0.00 C ATOM 295 CD GLN A 24 -7.886 4.543 9.142 1.00 0.00 C ATOM 296 OE1 GLN A 24 -7.742 5.741 9.390 1.00 0.00 O ATOM 297 NE2 GLN A 24 -8.580 3.728 9.928 1.00 0.00 N ATOM 0 H GLN A 24 -10.816 3.534 5.320 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.571 5.052 7.469 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.764 2.501 7.348 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.812 3.102 6.006 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.608 3.108 8.201 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.648 4.667 7.402 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.674 2.742 9.684 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.019 4.088 10.775 1.00 0.00 H new ATOM 306 N PHE A 25 -8.422 6.450 5.738 1.00 0.00 N ATOM 307 CA PHE A 25 -7.970 7.378 4.708 1.00 0.00 C ATOM 308 C PHE A 25 -6.637 6.927 4.117 1.00 0.00 C ATOM 309 O PHE A 25 -5.589 7.049 4.752 1.00 0.00 O ATOM 310 CB PHE A 25 -7.833 8.787 5.286 1.00 0.00 C ATOM 311 CG PHE A 25 -9.140 9.520 5.395 1.00 0.00 C ATOM 312 CD1 PHE A 25 -9.956 9.677 4.286 1.00 0.00 C ATOM 313 CD2 PHE A 25 -9.552 10.052 6.606 1.00 0.00 C ATOM 314 CE1 PHE A 25 -11.159 10.350 4.383 1.00 0.00 C ATOM 315 CE2 PHE A 25 -10.754 10.726 6.709 1.00 0.00 C ATOM 316 CZ PHE A 25 -11.558 10.877 5.596 1.00 0.00 C ATOM 0 H PHE A 25 -8.273 6.775 6.693 1.00 0.00 H new ATOM 0 HA PHE A 25 -8.715 7.390 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.378 8.723 6.274 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.153 9.364 4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.648 9.269 3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -8.927 9.939 7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.787 10.464 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -11.065 11.134 7.659 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.496 11.406 5.674 1.00 0.00 H new ATOM 326 N THR A 26 -6.685 6.404 2.896 1.00 0.00 N ATOM 327 CA THR A 26 -5.483 5.932 2.218 1.00 0.00 C ATOM 328 C THR A 26 -5.480 6.349 0.752 1.00 0.00 C ATOM 329 O THR A 26 -6.535 6.504 0.137 1.00 0.00 O ATOM 330 CB THR A 26 -5.354 4.400 2.305 1.00 0.00 C ATOM 331 OG1 THR A 26 -6.565 3.780 1.859 1.00 0.00 O ATOM 332 CG2 THR A 26 -5.050 3.963 3.730 1.00 0.00 C ATOM 0 H THR A 26 -7.543 6.296 2.356 1.00 0.00 H new ATOM 0 HA THR A 26 -4.633 6.390 2.725 1.00 0.00 H new ATOM 0 HB THR A 26 -4.530 4.090 1.663 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.071 4.411 1.305 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.963 2.877 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.113 4.413 4.056 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.856 4.285 4.389 1.00 0.00 H new ATOM 340 N CYS A 27 -4.286 6.529 0.196 1.00 0.00 N ATOM 341 CA CYS A 27 -4.144 6.928 -1.199 1.00 0.00 C ATOM 342 C CYS A 27 -4.553 5.793 -2.133 1.00 0.00 C ATOM 343 O CYS A 27 -4.776 4.665 -1.695 1.00 0.00 O ATOM 344 CB CYS A 27 -2.701 7.346 -1.487 1.00 0.00 C ATOM 345 SG CYS A 27 -1.509 5.968 -1.465 1.00 0.00 S ATOM 0 H CYS A 27 -3.403 6.405 0.691 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.803 7.777 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -2.662 7.830 -2.463 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -2.395 8.089 -0.750 1.00 0.00 H new ATOM 0 HG CYS A 27 -0.474 6.301 -0.752 1.00 0.00 H new ATOM 350 N GLU A 28 -4.649 6.101 -3.423 1.00 0.00 N ATOM 351 CA GLU A 28 -5.031 5.107 -4.419 1.00 0.00 C ATOM 352 C GLU A 28 -3.967 4.019 -4.539 1.00 0.00 C ATOM 353 O GLU A 28 -4.280 2.851 -4.764 1.00 0.00 O ATOM 354 CB GLU A 28 -5.251 5.773 -5.779 1.00 0.00 C ATOM 355 CG GLU A 28 -4.405 7.017 -5.991 1.00 0.00 C ATOM 356 CD GLU A 28 -4.323 7.425 -7.449 1.00 0.00 C ATOM 357 OE1 GLU A 28 -5.326 7.250 -8.172 1.00 0.00 O ATOM 358 OE2 GLU A 28 -3.255 7.919 -7.867 1.00 0.00 O ATOM 0 H GLU A 28 -4.468 7.030 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.963 4.645 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.028 5.054 -6.567 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.304 6.038 -5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.823 7.839 -5.410 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.399 6.837 -5.611 1.00 0.00 H new ATOM 365 N GLY A 29 -2.706 4.414 -4.387 1.00 0.00 N ATOM 366 CA GLY A 29 -1.615 3.462 -4.482 1.00 0.00 C ATOM 367 C GLY A 29 -1.698 2.377 -3.427 1.00 0.00 C ATOM 368 O GLY A 29 -1.403 1.213 -3.698 1.00 0.00 O ATOM 0 H GLY A 29 -2.421 5.375 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.622 3.004 -5.471 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.667 3.990 -4.382 1.00 0.00 H new ATOM 372 N CYS A 30 -2.099 2.758 -2.218 1.00 0.00 N ATOM 373 CA CYS A 30 -2.218 1.810 -1.118 1.00 0.00 C ATOM 374 C CYS A 30 -3.599 1.160 -1.107 1.00 0.00 C ATOM 375 O CYS A 30 -3.733 -0.033 -0.836 1.00 0.00 O ATOM 376 CB CYS A 30 -1.962 2.512 0.218 1.00 0.00 C ATOM 377 SG CYS A 30 -0.277 3.181 0.395 1.00 0.00 S ATOM 0 H CYS A 30 -2.347 3.717 -1.976 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.470 1.030 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.678 3.326 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -2.149 1.807 1.028 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.210 4.346 -0.177 1.00 0.00 H new ATOM 382 N LYS A 31 -4.622 1.953 -1.404 1.00 0.00 N ATOM 383 CA LYS A 31 -5.993 1.457 -1.430 1.00 0.00 C ATOM 384 C LYS A 31 -6.071 0.112 -2.145 1.00 0.00 C ATOM 385 O LYS A 31 -6.633 -0.849 -1.620 1.00 0.00 O ATOM 386 CB LYS A 31 -6.910 2.468 -2.122 1.00 0.00 C ATOM 387 CG LYS A 31 -8.298 1.928 -2.417 1.00 0.00 C ATOM 388 CD LYS A 31 -8.897 2.574 -3.655 1.00 0.00 C ATOM 389 CE LYS A 31 -8.193 2.111 -4.921 1.00 0.00 C ATOM 390 NZ LYS A 31 -8.841 2.654 -6.147 1.00 0.00 N ATOM 0 H LYS A 31 -4.528 2.943 -1.630 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.323 1.321 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.000 3.354 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.447 2.786 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.247 0.848 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.949 2.107 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.958 2.330 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.824 3.658 -3.572 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.150 2.426 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.196 1.022 -4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.332 2.315 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.829 2.333 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.815 3.693 -6.122 1.00 0.00 H new ATOM 404 N SER A 32 -5.501 0.050 -3.344 1.00 0.00 N ATOM 405 CA SER A 32 -5.509 -1.177 -4.132 1.00 0.00 C ATOM 406 C SER A 32 -4.465 -2.161 -3.613 1.00 0.00 C ATOM 407 O SER A 32 -4.753 -3.342 -3.413 1.00 0.00 O ATOM 408 CB SER A 32 -5.243 -0.864 -5.606 1.00 0.00 C ATOM 409 OG SER A 32 -5.645 -1.940 -6.436 1.00 0.00 O ATOM 0 H SER A 32 -5.028 0.835 -3.791 1.00 0.00 H new ATOM 0 HA SER A 32 -6.494 -1.634 -4.038 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.780 0.040 -5.892 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.182 -0.664 -5.753 1.00 0.00 H new ATOM 0 HG SER A 32 -5.466 -1.715 -7.373 1.00 0.00 H new ATOM 415 N PHE A 33 -3.250 -1.667 -3.397 1.00 0.00 N ATOM 416 CA PHE A 33 -2.162 -2.502 -2.903 1.00 0.00 C ATOM 417 C PHE A 33 -2.618 -3.341 -1.713 1.00 0.00 C ATOM 418 O PHE A 33 -2.211 -4.493 -1.559 1.00 0.00 O ATOM 419 CB PHE A 33 -0.967 -1.635 -2.502 1.00 0.00 C ATOM 420 CG PHE A 33 0.137 -2.406 -1.837 1.00 0.00 C ATOM 421 CD1 PHE A 33 1.103 -3.049 -2.594 1.00 0.00 C ATOM 422 CD2 PHE A 33 0.210 -2.487 -0.456 1.00 0.00 C ATOM 423 CE1 PHE A 33 2.120 -3.760 -1.985 1.00 0.00 C ATOM 424 CE2 PHE A 33 1.225 -3.196 0.159 1.00 0.00 C ATOM 425 CZ PHE A 33 2.182 -3.832 -0.607 1.00 0.00 C ATOM 0 H PHE A 33 -2.995 -0.692 -3.556 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.861 -3.175 -3.706 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.571 -1.143 -3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.308 -0.850 -1.827 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.061 -2.994 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.535 -1.990 0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.866 -4.259 -2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.269 -3.252 1.237 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.978 -4.385 -0.129 1.00 0.00 H new ATOM 435 N PHE A 34 -3.464 -2.755 -0.872 1.00 0.00 N ATOM 436 CA PHE A 34 -3.974 -3.447 0.305 1.00 0.00 C ATOM 437 C PHE A 34 -4.947 -4.553 -0.092 1.00 0.00 C ATOM 438 O PHE A 34 -4.820 -5.696 0.348 1.00 0.00 O ATOM 439 CB PHE A 34 -4.667 -2.457 1.244 1.00 0.00 C ATOM 440 CG PHE A 34 -5.343 -3.113 2.414 1.00 0.00 C ATOM 441 CD1 PHE A 34 -4.597 -3.733 3.404 1.00 0.00 C ATOM 442 CD2 PHE A 34 -6.724 -3.109 2.525 1.00 0.00 C ATOM 443 CE1 PHE A 34 -5.216 -4.337 4.482 1.00 0.00 C ATOM 444 CE2 PHE A 34 -7.348 -3.711 3.601 1.00 0.00 C ATOM 445 CZ PHE A 34 -6.593 -4.327 4.580 1.00 0.00 C ATOM 0 H PHE A 34 -3.811 -1.802 -0.984 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.129 -3.900 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.931 -1.743 1.613 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.406 -1.889 0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.519 -3.744 3.332 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -7.320 -2.630 1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.623 -4.816 5.247 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -8.425 -3.700 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.079 -4.800 5.421 1.00 0.00 H new ATOM 455 N LYS A 35 -5.919 -4.205 -0.929 1.00 0.00 N ATOM 456 CA LYS A 35 -6.914 -5.167 -1.389 1.00 0.00 C ATOM 457 C LYS A 35 -6.259 -6.285 -2.193 1.00 0.00 C ATOM 458 O LYS A 35 -6.305 -7.452 -1.803 1.00 0.00 O ATOM 459 CB LYS A 35 -7.975 -4.466 -2.240 1.00 0.00 C ATOM 460 CG LYS A 35 -8.723 -5.404 -3.172 1.00 0.00 C ATOM 461 CD LYS A 35 -9.531 -4.636 -4.205 1.00 0.00 C ATOM 462 CE LYS A 35 -8.721 -4.379 -5.467 1.00 0.00 C ATOM 463 NZ LYS A 35 -9.591 -4.019 -6.620 1.00 0.00 N ATOM 0 H LYS A 35 -6.039 -3.264 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.391 -5.606 -0.513 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.691 -3.974 -1.581 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.497 -3.685 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.013 -6.059 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.388 -6.043 -2.590 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.430 -5.198 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.857 -3.686 -3.781 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.009 -3.574 -5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.141 -5.268 -5.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.002 -3.852 -7.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.254 -4.797 -6.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.126 -3.156 -6.395 1.00 0.00 H new ATOM 477 N ARG A 36 -5.649 -5.921 -3.316 1.00 0.00 N ATOM 478 CA ARG A 36 -4.984 -6.894 -4.174 1.00 0.00 C ATOM 479 C ARG A 36 -4.280 -7.962 -3.342 1.00 0.00 C ATOM 480 O ARG A 36 -4.115 -9.099 -3.785 1.00 0.00 O ATOM 481 CB ARG A 36 -3.974 -6.196 -5.086 1.00 0.00 C ATOM 482 CG ARG A 36 -2.675 -5.829 -4.388 1.00 0.00 C ATOM 483 CD ARG A 36 -1.546 -5.622 -5.385 1.00 0.00 C ATOM 484 NE ARG A 36 -0.961 -6.887 -5.820 1.00 0.00 N ATOM 485 CZ ARG A 36 -0.109 -6.993 -6.834 1.00 0.00 C ATOM 486 NH1 ARG A 36 0.256 -5.914 -7.513 1.00 0.00 N ATOM 487 NH2 ARG A 36 0.380 -8.180 -7.170 1.00 0.00 N ATOM 0 H ARG A 36 -5.602 -4.959 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.744 -7.378 -4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.751 -6.846 -5.932 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.427 -5.291 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.818 -4.919 -3.805 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.402 -6.617 -3.686 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.923 -5.080 -6.252 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.772 -5.001 -4.933 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.221 -7.736 -5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.117 -5.000 -7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.910 -5.998 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.102 -9.012 -6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.034 -8.260 -7.949 1.00 0.00 H new ATOM 501 N SER A 37 -3.868 -7.588 -2.135 1.00 0.00 N ATOM 502 CA SER A 37 -3.178 -8.512 -1.243 1.00 0.00 C ATOM 503 C SER A 37 -4.159 -9.169 -0.276 1.00 0.00 C ATOM 504 O SER A 37 -4.008 -10.336 0.083 1.00 0.00 O ATOM 505 CB SER A 37 -2.087 -7.780 -0.460 1.00 0.00 C ATOM 506 OG SER A 37 -2.649 -6.924 0.520 1.00 0.00 O ATOM 0 H SER A 37 -4.000 -6.652 -1.752 1.00 0.00 H new ATOM 0 HA SER A 37 -2.718 -9.290 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.431 -8.506 0.020 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.471 -7.198 -1.146 1.00 0.00 H new ATOM 0 HG SER A 37 -3.334 -6.358 0.106 1.00 0.00 H new ATOM 512 N VAL A 38 -5.167 -8.409 0.141 1.00 0.00 N ATOM 513 CA VAL A 38 -6.175 -8.915 1.065 1.00 0.00 C ATOM 514 C VAL A 38 -7.179 -9.810 0.346 1.00 0.00 C ATOM 515 O VAL A 38 -7.237 -11.015 0.589 1.00 0.00 O ATOM 516 CB VAL A 38 -6.931 -7.765 1.756 1.00 0.00 C ATOM 517 CG1 VAL A 38 -8.044 -8.311 2.637 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.971 -6.907 2.566 1.00 0.00 C ATOM 0 H VAL A 38 -5.307 -7.440 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.648 -9.498 1.820 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.383 -7.137 0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.567 -7.484 3.117 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.746 -8.879 2.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.618 -8.962 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.522 -6.099 3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.488 -7.520 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.214 -6.486 1.905 1.00 0.00 H new ATOM 528 N ARG A 39 -7.969 -9.211 -0.539 1.00 0.00 N ATOM 529 CA ARG A 39 -8.971 -9.954 -1.293 1.00 0.00 C ATOM 530 C ARG A 39 -8.373 -11.224 -1.891 1.00 0.00 C ATOM 531 O ARG A 39 -9.077 -12.209 -2.114 1.00 0.00 O ATOM 532 CB ARG A 39 -9.554 -9.080 -2.406 1.00 0.00 C ATOM 533 CG ARG A 39 -8.565 -8.767 -3.516 1.00 0.00 C ATOM 534 CD ARG A 39 -8.602 -9.822 -4.610 1.00 0.00 C ATOM 535 NE ARG A 39 -9.947 -10.004 -5.149 1.00 0.00 N ATOM 536 CZ ARG A 39 -10.347 -11.108 -5.770 1.00 0.00 C ATOM 537 NH1 ARG A 39 -9.510 -12.124 -5.929 1.00 0.00 N ATOM 538 NH2 ARG A 39 -11.587 -11.199 -6.233 1.00 0.00 N ATOM 0 H ARG A 39 -7.934 -8.214 -0.751 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.768 -10.238 -0.606 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.421 -9.583 -2.835 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.909 -8.145 -1.973 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.793 -7.790 -3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.559 -8.706 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.925 -9.534 -5.414 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.240 -10.770 -4.212 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.616 -9.241 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.556 -12.059 -5.574 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.820 -12.970 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.235 -10.420 -6.112 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.892 -12.047 -6.710 1.00 0.00 H new ATOM 552 N ARG A 40 -7.069 -11.193 -2.147 1.00 0.00 N ATOM 553 CA ARG A 40 -6.376 -12.341 -2.720 1.00 0.00 C ATOM 554 C ARG A 40 -5.779 -13.219 -1.623 1.00 0.00 C ATOM 555 O ARG A 40 -5.490 -14.394 -1.844 1.00 0.00 O ATOM 556 CB ARG A 40 -5.273 -11.875 -3.671 1.00 0.00 C ATOM 557 CG ARG A 40 -5.797 -11.306 -4.980 1.00 0.00 C ATOM 558 CD ARG A 40 -4.824 -11.549 -6.123 1.00 0.00 C ATOM 559 NE ARG A 40 -5.332 -11.038 -7.393 1.00 0.00 N ATOM 560 CZ ARG A 40 -4.694 -11.179 -8.549 1.00 0.00 C ATOM 561 NH1 ARG A 40 -3.531 -11.812 -8.596 1.00 0.00 N ATOM 562 NH2 ARG A 40 -5.222 -10.686 -9.663 1.00 0.00 N ATOM 0 H ARG A 40 -6.472 -10.386 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.103 -12.931 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.670 -11.117 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.613 -12.715 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.759 -11.761 -5.217 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -5.970 -10.235 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.871 -11.071 -5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.631 -12.618 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.225 -10.546 -7.392 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.123 -12.193 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.044 -11.918 -9.486 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.118 -10.199 -9.631 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.732 -10.794 -10.551 1.00 0.00 H new ATOM 576 N ASN A 41 -5.598 -12.639 -0.441 1.00 0.00 N ATOM 577 CA ASN A 41 -5.035 -13.368 0.689 1.00 0.00 C ATOM 578 C ASN A 41 -3.552 -13.652 0.469 1.00 0.00 C ATOM 579 O ASN A 41 -3.032 -14.674 0.918 1.00 0.00 O ATOM 580 CB ASN A 41 -5.791 -14.680 0.905 1.00 0.00 C ATOM 581 CG ASN A 41 -5.573 -15.253 2.292 1.00 0.00 C ATOM 582 OD1 ASN A 41 -6.546 -15.053 3.174 1.00 0.00 O flip ATOM 583 ND2 ASN A 41 -4.543 -15.867 2.567 1.00 0.00 N flip ATOM 0 H ASN A 41 -5.833 -11.667 -0.241 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.140 -12.746 1.578 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.856 -14.512 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.470 -15.408 0.160 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.822 -15.997 1.858 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -4.410 -16.246 3.504 1.00 0.00 H new ATOM 590 N LEU A 42 -2.878 -12.742 -0.224 1.00 0.00 N ATOM 591 CA LEU A 42 -1.454 -12.894 -0.504 1.00 0.00 C ATOM 592 C LEU A 42 -0.634 -12.802 0.779 1.00 0.00 C ATOM 593 O LEU A 42 -1.152 -12.441 1.836 1.00 0.00 O ATOM 594 CB LEU A 42 -0.992 -11.825 -1.495 1.00 0.00 C ATOM 595 CG LEU A 42 -1.911 -11.577 -2.692 1.00 0.00 C ATOM 596 CD1 LEU A 42 -1.319 -10.518 -3.609 1.00 0.00 C ATOM 597 CD2 LEU A 42 -2.154 -12.871 -3.455 1.00 0.00 C ATOM 0 H LEU A 42 -3.294 -11.891 -0.603 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.299 -13.879 -0.943 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.870 -10.886 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.008 -12.107 -1.870 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.869 -11.212 -2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.987 -10.355 -4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.198 -9.586 -3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.348 -10.853 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.810 -12.676 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.204 -13.265 -3.815 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.623 -13.600 -2.794 1.00 0.00 H new ATOM 609 N THR A 43 0.651 -13.130 0.679 1.00 0.00 N ATOM 610 CA THR A 43 1.543 -13.084 1.831 1.00 0.00 C ATOM 611 C THR A 43 2.981 -12.817 1.401 1.00 0.00 C ATOM 612 O THR A 43 3.628 -13.672 0.797 1.00 0.00 O ATOM 613 CB THR A 43 1.494 -14.398 2.632 1.00 0.00 C ATOM 614 OG1 THR A 43 0.134 -14.761 2.897 1.00 0.00 O ATOM 615 CG2 THR A 43 2.252 -14.261 3.944 1.00 0.00 C ATOM 0 H THR A 43 1.097 -13.430 -0.188 1.00 0.00 H new ATOM 0 HA THR A 43 1.199 -12.268 2.466 1.00 0.00 H new ATOM 0 HB THR A 43 1.968 -15.178 2.036 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.112 -15.599 3.405 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.203 -15.202 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.294 -14.014 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.803 -13.469 4.543 1.00 0.00 H new ATOM 623 N TYR A 44 3.476 -11.626 1.718 1.00 0.00 N ATOM 624 CA TYR A 44 4.838 -11.245 1.363 1.00 0.00 C ATOM 625 C TYR A 44 5.803 -11.542 2.508 1.00 0.00 C ATOM 626 O TYR A 44 5.428 -11.493 3.680 1.00 0.00 O ATOM 627 CB TYR A 44 4.898 -9.760 1.003 1.00 0.00 C ATOM 628 CG TYR A 44 3.733 -9.294 0.160 1.00 0.00 C ATOM 629 CD1 TYR A 44 3.388 -9.958 -1.010 1.00 0.00 C ATOM 630 CD2 TYR A 44 2.978 -8.189 0.533 1.00 0.00 C ATOM 631 CE1 TYR A 44 2.324 -9.536 -1.785 1.00 0.00 C ATOM 632 CE2 TYR A 44 1.912 -7.760 -0.234 1.00 0.00 C ATOM 633 CZ TYR A 44 1.589 -8.437 -1.392 1.00 0.00 C ATOM 634 OH TYR A 44 0.529 -8.012 -2.160 1.00 0.00 O ATOM 0 H TYR A 44 2.954 -10.908 2.220 1.00 0.00 H new ATOM 0 HA TYR A 44 5.138 -11.834 0.496 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.929 -9.173 1.921 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.826 -9.562 0.467 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.961 -10.819 -1.320 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.229 -7.656 1.438 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.070 -10.063 -2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.335 -6.900 0.071 1.00 0.00 H new ATOM 0 HH TYR A 44 0.699 -8.228 -3.101 1.00 0.00 H new ATOM 644 N THR A 45 7.048 -11.850 2.159 1.00 0.00 N ATOM 645 CA THR A 45 8.067 -12.155 3.155 1.00 0.00 C ATOM 646 C THR A 45 9.147 -11.079 3.184 1.00 0.00 C ATOM 647 O THR A 45 10.072 -11.092 2.371 1.00 0.00 O ATOM 648 CB THR A 45 8.726 -13.521 2.884 1.00 0.00 C ATOM 649 OG1 THR A 45 7.730 -14.549 2.859 1.00 0.00 O ATOM 650 CG2 THR A 45 9.765 -13.841 3.948 1.00 0.00 C ATOM 0 H THR A 45 7.375 -11.895 1.194 1.00 0.00 H new ATOM 0 HA THR A 45 7.565 -12.188 4.122 1.00 0.00 H new ATOM 0 HB THR A 45 9.223 -13.474 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.157 -15.414 2.685 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.217 -14.810 3.736 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.538 -13.072 3.945 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.286 -13.871 4.927 1.00 0.00 H new ATOM 658 N CYS A 46 9.025 -10.150 4.126 1.00 0.00 N ATOM 659 CA CYS A 46 9.991 -9.067 4.262 1.00 0.00 C ATOM 660 C CYS A 46 11.394 -9.616 4.504 1.00 0.00 C ATOM 661 O CYS A 46 11.704 -10.095 5.595 1.00 0.00 O ATOM 662 CB CYS A 46 9.589 -8.138 5.409 1.00 0.00 C ATOM 663 SG CYS A 46 10.833 -6.868 5.808 1.00 0.00 S ATOM 0 H CYS A 46 8.266 -10.126 4.807 1.00 0.00 H new ATOM 0 HA CYS A 46 9.998 -8.501 3.331 1.00 0.00 H new ATOM 0 HB2 CYS A 46 8.652 -7.645 5.151 1.00 0.00 H new ATOM 0 HB3 CYS A 46 9.400 -8.738 6.299 1.00 0.00 H new ATOM 0 HG CYS A 46 10.235 -5.751 6.100 1.00 0.00 H new ATOM 668 N ARG A 47 12.237 -9.542 3.480 1.00 0.00 N ATOM 669 CA ARG A 47 13.607 -10.032 3.581 1.00 0.00 C ATOM 670 C ARG A 47 14.387 -9.253 4.636 1.00 0.00 C ATOM 671 O ARG A 47 15.515 -9.608 4.975 1.00 0.00 O ATOM 672 CB ARG A 47 14.311 -9.924 2.227 1.00 0.00 C ATOM 673 CG ARG A 47 13.506 -10.502 1.074 1.00 0.00 C ATOM 674 CD ARG A 47 13.697 -12.006 0.960 1.00 0.00 C ATOM 675 NE ARG A 47 14.985 -12.350 0.363 1.00 0.00 N ATOM 676 CZ ARG A 47 15.200 -12.392 -0.947 1.00 0.00 C ATOM 677 NH1 ARG A 47 14.218 -12.112 -1.793 1.00 0.00 N ATOM 678 NH2 ARG A 47 16.400 -12.715 -1.413 1.00 0.00 N ATOM 0 H ARG A 47 11.996 -9.148 2.571 1.00 0.00 H new ATOM 0 HA ARG A 47 13.570 -11.079 3.881 1.00 0.00 H new ATOM 0 HB2 ARG A 47 14.524 -8.875 2.020 1.00 0.00 H new ATOM 0 HB3 ARG A 47 15.270 -10.439 2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 47 12.449 -10.278 1.219 1.00 0.00 H new ATOM 0 HG3 ARG A 47 13.808 -10.024 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.624 -12.457 1.950 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.893 -12.429 0.357 1.00 0.00 H new ATOM 0 HE ARG A 47 15.762 -12.570 0.986 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.295 -11.864 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.386 -12.145 -2.799 1.00 0.00 H new ATOM 0 HH21 ARG A 47 17.158 -12.931 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.565 -12.747 -2.419 1.00 0.00 H new ATOM 692 N ALA A 48 13.777 -8.190 5.149 1.00 0.00 N ATOM 693 CA ALA A 48 14.413 -7.361 6.166 1.00 0.00 C ATOM 694 C ALA A 48 13.861 -7.674 7.553 1.00 0.00 C ATOM 695 O ALA A 48 13.081 -8.609 7.724 1.00 0.00 O ATOM 696 CB ALA A 48 14.224 -5.887 5.840 1.00 0.00 C ATOM 0 H ALA A 48 12.843 -7.882 4.877 1.00 0.00 H new ATOM 0 HA ALA A 48 15.479 -7.587 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.704 -5.280 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.673 -5.668 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.159 -5.655 5.807 1.00 0.00 H new ATOM 702 N ASN A 49 14.272 -6.884 8.540 1.00 0.00 N ATOM 703 CA ASN A 49 13.819 -7.077 9.912 1.00 0.00 C ATOM 704 C ASN A 49 12.439 -6.462 10.122 1.00 0.00 C ATOM 705 O ASN A 49 12.138 -5.937 11.194 1.00 0.00 O ATOM 706 CB ASN A 49 14.819 -6.461 10.893 1.00 0.00 C ATOM 707 CG ASN A 49 16.043 -7.332 11.095 1.00 0.00 C ATOM 708 OD1 ASN A 49 16.746 -7.626 10.008 1.00 0.00 O flip ATOM 709 ND2 ASN A 49 16.353 -7.736 12.216 1.00 0.00 N flip ATOM 0 H ASN A 49 14.918 -6.104 8.415 1.00 0.00 H new ATOM 0 HA ASN A 49 13.751 -8.149 10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 49 15.129 -5.483 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 49 14.329 -6.299 11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 49 15.783 -7.485 13.024 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.180 -8.321 12.337 1.00 0.00 H new ATOM 716 N ARG A 50 11.603 -6.532 9.090 1.00 0.00 N ATOM 717 CA ARG A 50 10.255 -5.981 9.160 1.00 0.00 C ATOM 718 C ARG A 50 10.266 -4.597 9.803 1.00 0.00 C ATOM 719 O ARG A 50 9.379 -4.259 10.585 1.00 0.00 O ATOM 720 CB ARG A 50 9.340 -6.917 9.953 1.00 0.00 C ATOM 721 CG ARG A 50 9.198 -8.298 9.335 1.00 0.00 C ATOM 722 CD ARG A 50 8.443 -9.245 10.254 1.00 0.00 C ATOM 723 NE ARG A 50 8.870 -10.630 10.084 1.00 0.00 N ATOM 724 CZ ARG A 50 8.511 -11.389 9.054 1.00 0.00 C ATOM 725 NH1 ARG A 50 7.722 -10.898 8.108 1.00 0.00 N ATOM 726 NH2 ARG A 50 8.942 -12.641 8.969 1.00 0.00 N ATOM 0 H ARG A 50 11.836 -6.965 8.196 1.00 0.00 H new ATOM 0 HA ARG A 50 9.874 -5.887 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.730 -7.020 10.966 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.353 -6.462 10.036 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.674 -8.219 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.186 -8.706 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.596 -8.943 11.290 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.374 -9.168 10.054 1.00 0.00 H new ATOM 0 HE ARG A 50 9.477 -11.038 10.795 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.389 -9.936 8.170 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.448 -11.483 7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.549 -13.022 9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.666 -13.223 8.178 1.00 0.00 H new ATOM 740 N ASN A 51 11.276 -3.802 9.467 1.00 0.00 N ATOM 741 CA ASN A 51 11.403 -2.455 10.012 1.00 0.00 C ATOM 742 C ASN A 51 11.634 -1.438 8.899 1.00 0.00 C ATOM 743 O ASN A 51 12.072 -0.315 9.150 1.00 0.00 O ATOM 744 CB ASN A 51 12.553 -2.396 11.019 1.00 0.00 C ATOM 745 CG ASN A 51 13.905 -2.614 10.366 1.00 0.00 C ATOM 746 OD1 ASN A 51 14.009 -2.703 9.143 1.00 0.00 O ATOM 747 ND2 ASN A 51 14.949 -2.701 11.183 1.00 0.00 N ATOM 0 H ASN A 51 12.019 -4.067 8.820 1.00 0.00 H new ATOM 0 HA ASN A 51 10.471 -2.206 10.520 1.00 0.00 H new ATOM 0 HB2 ASN A 51 12.546 -1.427 11.518 1.00 0.00 H new ATOM 0 HB3 ASN A 51 12.398 -3.152 11.788 1.00 0.00 H new ATOM 0 HD21 ASN A 51 15.884 -2.847 10.802 1.00 0.00 H new ATOM 0 HD22 ASN A 51 14.816 -2.621 12.191 1.00 0.00 H new ATOM 754 N CYS A 52 11.336 -1.838 7.667 1.00 0.00 N ATOM 755 CA CYS A 52 11.511 -0.963 6.515 1.00 0.00 C ATOM 756 C CYS A 52 10.646 0.288 6.645 1.00 0.00 C ATOM 757 O CYS A 52 9.459 0.221 6.965 1.00 0.00 O ATOM 758 CB CYS A 52 11.159 -1.707 5.225 1.00 0.00 C ATOM 759 SG CYS A 52 11.764 -3.424 5.169 1.00 0.00 S ATOM 0 H CYS A 52 10.972 -2.764 7.441 1.00 0.00 H new ATOM 0 HA CYS A 52 12.557 -0.658 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.076 -1.711 5.104 1.00 0.00 H new ATOM 0 HB3 CYS A 52 11.572 -1.160 4.378 1.00 0.00 H new ATOM 0 HG CYS A 52 10.869 -4.181 4.607 1.00 0.00 H new ATOM 764 N PRO A 53 11.254 1.456 6.393 1.00 0.00 N ATOM 765 CA PRO A 53 10.559 2.744 6.475 1.00 0.00 C ATOM 766 C PRO A 53 9.536 2.923 5.359 1.00 0.00 C ATOM 767 O PRO A 53 9.895 3.203 4.214 1.00 0.00 O ATOM 768 CB PRO A 53 11.689 3.767 6.334 1.00 0.00 C ATOM 769 CG PRO A 53 12.757 3.050 5.583 1.00 0.00 C ATOM 770 CD PRO A 53 12.667 1.610 6.007 1.00 0.00 C ATOM 0 HA PRO A 53 9.990 2.842 7.400 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.355 4.655 5.797 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.046 4.100 7.309 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.612 3.150 4.507 1.00 0.00 H new ATOM 0 HG3 PRO A 53 13.739 3.463 5.812 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.938 0.934 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.337 1.393 6.839 1.00 0.00 H new ATOM 778 N ILE A 54 8.262 2.760 5.698 1.00 0.00 N ATOM 779 CA ILE A 54 7.187 2.906 4.724 1.00 0.00 C ATOM 780 C ILE A 54 6.770 4.365 4.579 1.00 0.00 C ATOM 781 O ILE A 54 6.269 4.975 5.524 1.00 0.00 O ATOM 782 CB ILE A 54 5.956 2.068 5.115 1.00 0.00 C ATOM 783 CG1 ILE A 54 6.375 0.639 5.467 1.00 0.00 C ATOM 784 CG2 ILE A 54 4.938 2.063 3.984 1.00 0.00 C ATOM 785 CD1 ILE A 54 7.190 -0.036 4.387 1.00 0.00 C ATOM 0 H ILE A 54 7.949 2.527 6.640 1.00 0.00 H new ATOM 0 HA ILE A 54 7.574 2.546 3.771 1.00 0.00 H new ATOM 0 HB ILE A 54 5.493 2.518 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.954 0.656 6.390 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.482 0.045 5.662 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.073 1.467 4.275 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.620 3.085 3.776 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.390 1.634 3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.451 -1.045 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.606 -0.085 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.101 0.535 4.208 1.00 0.00 H new ATOM 797 N ASP A 55 6.978 4.919 3.390 1.00 0.00 N ATOM 798 CA ASP A 55 6.621 6.307 3.119 1.00 0.00 C ATOM 799 C ASP A 55 6.273 6.502 1.647 1.00 0.00 C ATOM 800 O ASP A 55 6.459 5.599 0.832 1.00 0.00 O ATOM 801 CB ASP A 55 7.769 7.237 3.513 1.00 0.00 C ATOM 802 CG ASP A 55 9.099 6.791 2.936 1.00 0.00 C ATOM 803 OD1 ASP A 55 9.093 6.103 1.894 1.00 0.00 O ATOM 804 OD2 ASP A 55 10.145 7.132 3.526 1.00 0.00 O ATOM 0 H ASP A 55 7.392 4.428 2.598 1.00 0.00 H new ATOM 0 HA ASP A 55 5.743 6.554 3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.548 8.248 3.170 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.843 7.278 4.600 1.00 0.00 H new ATOM 809 N GLN A 56 5.768 7.685 1.315 1.00 0.00 N ATOM 810 CA GLN A 56 5.392 7.997 -0.059 1.00 0.00 C ATOM 811 C GLN A 56 6.584 8.544 -0.838 1.00 0.00 C ATOM 812 O GLN A 56 6.901 8.064 -1.927 1.00 0.00 O ATOM 813 CB GLN A 56 4.246 9.009 -0.080 1.00 0.00 C ATOM 814 CG GLN A 56 4.071 9.702 -1.421 1.00 0.00 C ATOM 815 CD GLN A 56 3.910 8.723 -2.568 1.00 0.00 C ATOM 816 OE1 GLN A 56 3.271 7.592 -2.295 1.00 0.00 O flip ATOM 817 NE2 GLN A 56 4.355 8.981 -3.686 1.00 0.00 N flip ATOM 0 H GLN A 56 5.610 8.444 1.978 1.00 0.00 H new ATOM 0 HA GLN A 56 5.061 7.075 -0.537 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.318 8.500 0.180 1.00 0.00 H new ATOM 0 HB3 GLN A 56 4.423 9.762 0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.197 10.352 -1.378 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.934 10.340 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.840 9.863 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.239 8.313 -4.448 1.00 0.00 H new ATOM 915 N CYS A 62 9.245 -1.483 0.970 1.00 0.00 N ATOM 916 CA CYS A 62 8.978 -2.884 1.272 1.00 0.00 C ATOM 917 C CYS A 62 7.522 -3.235 0.983 1.00 0.00 C ATOM 918 O CYS A 62 6.638 -2.385 1.079 1.00 0.00 O ATOM 919 CB CYS A 62 9.305 -3.183 2.737 1.00 0.00 C ATOM 920 SG CYS A 62 8.990 -4.908 3.232 1.00 0.00 S ATOM 0 HA CYS A 62 9.615 -3.495 0.632 1.00 0.00 H new ATOM 0 HB2 CYS A 62 10.354 -2.950 2.919 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.717 -2.521 3.372 1.00 0.00 H new ATOM 0 HG CYS A 62 8.854 -4.971 4.523 1.00 0.00 H new ATOM 925 N GLN A 63 7.281 -4.493 0.628 1.00 0.00 N ATOM 926 CA GLN A 63 5.933 -4.956 0.324 1.00 0.00 C ATOM 927 C GLN A 63 5.196 -5.359 1.596 1.00 0.00 C ATOM 928 O GLN A 63 4.157 -4.789 1.931 1.00 0.00 O ATOM 929 CB GLN A 63 5.983 -6.138 -0.646 1.00 0.00 C ATOM 930 CG GLN A 63 6.044 -5.724 -2.108 1.00 0.00 C ATOM 931 CD GLN A 63 6.114 -6.910 -3.048 1.00 0.00 C ATOM 932 OE1 GLN A 63 7.181 -7.247 -3.564 1.00 0.00 O ATOM 933 NE2 GLN A 63 4.974 -7.552 -3.278 1.00 0.00 N ATOM 0 H GLN A 63 8.002 -5.210 0.544 1.00 0.00 H new ATOM 0 HA GLN A 63 5.391 -4.134 -0.143 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.854 -6.751 -0.414 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.103 -6.762 -0.490 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.165 -5.126 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.915 -5.089 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.113 -7.239 -2.830 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.960 -8.358 -3.903 1.00 0.00 H new ATOM 942 N TYR A 64 5.739 -6.345 2.302 1.00 0.00 N ATOM 943 CA TYR A 64 5.131 -6.826 3.537 1.00 0.00 C ATOM 944 C TYR A 64 4.901 -5.677 4.514 1.00 0.00 C ATOM 945 O TYR A 64 3.762 -5.360 4.861 1.00 0.00 O ATOM 946 CB TYR A 64 6.017 -7.891 4.185 1.00 0.00 C ATOM 947 CG TYR A 64 5.822 -8.014 5.679 1.00 0.00 C ATOM 948 CD1 TYR A 64 6.553 -7.230 6.563 1.00 0.00 C ATOM 949 CD2 TYR A 64 4.905 -8.915 6.207 1.00 0.00 C ATOM 950 CE1 TYR A 64 6.378 -7.340 7.929 1.00 0.00 C ATOM 951 CE2 TYR A 64 4.722 -9.031 7.572 1.00 0.00 C ATOM 952 CZ TYR A 64 5.461 -8.242 8.428 1.00 0.00 C ATOM 953 OH TYR A 64 5.283 -8.354 9.788 1.00 0.00 O ATOM 0 H TYR A 64 6.599 -6.827 2.040 1.00 0.00 H new ATOM 0 HA TYR A 64 4.166 -7.267 3.289 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.811 -8.855 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.062 -7.655 3.982 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.271 -6.522 6.175 1.00 0.00 H new ATOM 0 HD2 TYR A 64 4.325 -9.535 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.955 -6.724 8.602 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.004 -9.735 7.966 1.00 0.00 H new ATOM 0 HH TYR A 64 4.601 -9.033 9.974 1.00 0.00 H new ATOM 963 N CYS A 65 5.990 -5.056 4.955 1.00 0.00 N ATOM 964 CA CYS A 65 5.909 -3.942 5.892 1.00 0.00 C ATOM 965 C CYS A 65 4.799 -2.975 5.493 1.00 0.00 C ATOM 966 O CYS A 65 3.849 -2.759 6.246 1.00 0.00 O ATOM 967 CB CYS A 65 7.247 -3.203 5.954 1.00 0.00 C ATOM 968 SG CYS A 65 8.556 -4.107 6.841 1.00 0.00 S ATOM 0 H CYS A 65 6.939 -5.306 4.678 1.00 0.00 H new ATOM 0 HA CYS A 65 5.678 -4.345 6.878 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.585 -3.000 4.938 1.00 0.00 H new ATOM 0 HB3 CYS A 65 7.095 -2.238 6.438 1.00 0.00 H new ATOM 0 HG CYS A 65 9.702 -3.884 6.268 1.00 0.00 H new ATOM 973 N ARG A 66 4.926 -2.396 4.303 1.00 0.00 N ATOM 974 CA ARG A 66 3.934 -1.451 3.804 1.00 0.00 C ATOM 975 C ARG A 66 2.524 -2.015 3.951 1.00 0.00 C ATOM 976 O ARG A 66 1.619 -1.335 4.438 1.00 0.00 O ATOM 977 CB ARG A 66 4.211 -1.116 2.337 1.00 0.00 C ATOM 978 CG ARG A 66 3.084 -0.348 1.665 1.00 0.00 C ATOM 979 CD ARG A 66 3.338 -0.178 0.175 1.00 0.00 C ATOM 980 NE ARG A 66 2.309 0.637 -0.466 1.00 0.00 N ATOM 981 CZ ARG A 66 2.047 0.600 -1.767 1.00 0.00 C ATOM 982 NH1 ARG A 66 2.735 -0.209 -2.562 1.00 0.00 N ATOM 983 NH2 ARG A 66 1.096 1.372 -2.276 1.00 0.00 N ATOM 0 H ARG A 66 5.706 -2.565 3.667 1.00 0.00 H new ATOM 0 HA ARG A 66 4.006 -0.540 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.127 -0.529 2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.386 -2.041 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.142 -0.875 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.981 0.632 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.313 0.285 0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.373 -1.158 -0.301 1.00 0.00 H new ATOM 0 HE ARG A 66 1.762 1.269 0.118 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.467 -0.804 -2.174 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.532 -0.236 -3.561 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.565 1.995 -1.668 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.896 1.343 -3.276 1.00 0.00 H new ATOM 997 N LEU A 67 2.343 -3.260 3.525 1.00 0.00 N ATOM 998 CA LEU A 67 1.042 -3.916 3.608 1.00 0.00 C ATOM 999 C LEU A 67 0.537 -3.942 5.047 1.00 0.00 C ATOM 1000 O LEU A 67 -0.551 -3.448 5.344 1.00 0.00 O ATOM 1001 CB LEU A 67 1.132 -5.341 3.061 1.00 0.00 C ATOM 1002 CG LEU A 67 0.178 -6.361 3.684 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.256 -6.072 3.270 1.00 0.00 C ATOM 1004 CD2 LEU A 67 0.575 -7.775 3.286 1.00 0.00 C ATOM 0 H LEU A 67 3.080 -3.836 3.119 1.00 0.00 H new ATOM 0 HA LEU A 67 0.335 -3.346 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.947 -5.309 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.153 -5.697 3.198 1.00 0.00 H new ATOM 0 HG LEU A 67 0.245 -6.278 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.921 -6.808 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.537 -5.074 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.339 -6.127 2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.115 -8.488 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.537 -7.872 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.588 -7.980 3.633 1.00 0.00 H new ATOM 1016 N LYS A 68 1.335 -4.521 5.938 1.00 0.00 N ATOM 1017 CA LYS A 68 0.971 -4.610 7.348 1.00 0.00 C ATOM 1018 C LYS A 68 0.500 -3.258 7.874 1.00 0.00 C ATOM 1019 O LYS A 68 -0.533 -3.164 8.537 1.00 0.00 O ATOM 1020 CB LYS A 68 2.162 -5.104 8.173 1.00 0.00 C ATOM 1021 CG LYS A 68 2.363 -6.608 8.109 1.00 0.00 C ATOM 1022 CD LYS A 68 1.271 -7.349 8.861 1.00 0.00 C ATOM 1023 CE LYS A 68 1.159 -8.794 8.401 1.00 0.00 C ATOM 1024 NZ LYS A 68 0.662 -8.894 7.001 1.00 0.00 N ATOM 0 H LYS A 68 2.238 -4.936 5.709 1.00 0.00 H new ATOM 0 HA LYS A 68 0.151 -5.322 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.067 -4.609 7.821 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.021 -4.808 9.213 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.372 -6.931 7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.335 -6.864 8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.481 -7.322 9.930 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.317 -6.843 8.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.134 -9.275 8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.485 -9.335 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.235 -9.830 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.052 -8.157 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.455 -8.765 6.341 1.00 0.00 H new ATOM 1038 N LYS A 69 1.263 -2.213 7.573 1.00 0.00 N ATOM 1039 CA LYS A 69 0.923 -0.865 8.013 1.00 0.00 C ATOM 1040 C LYS A 69 -0.557 -0.576 7.787 1.00 0.00 C ATOM 1041 O LYS A 69 -1.146 0.266 8.467 1.00 0.00 O ATOM 1042 CB LYS A 69 1.775 0.167 7.270 1.00 0.00 C ATOM 1043 CG LYS A 69 1.368 1.604 7.545 1.00 0.00 C ATOM 1044 CD LYS A 69 2.564 2.541 7.498 1.00 0.00 C ATOM 1045 CE LYS A 69 3.215 2.682 8.865 1.00 0.00 C ATOM 1046 NZ LYS A 69 4.673 2.968 8.758 1.00 0.00 N ATOM 0 H LYS A 69 2.122 -2.274 7.026 1.00 0.00 H new ATOM 0 HA LYS A 69 1.129 -0.796 9.081 1.00 0.00 H new ATOM 0 HB2 LYS A 69 2.819 0.034 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.707 -0.022 6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.628 1.920 6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.893 1.668 8.524 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.295 2.164 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.246 3.521 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.727 3.484 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 69 3.066 1.765 9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.080 3.057 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.143 2.190 8.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.815 3.856 8.236 1.00 0.00 H new ATOM 1060 N CYS A 70 -1.153 -1.279 6.830 1.00 0.00 N ATOM 1061 CA CYS A 70 -2.566 -1.098 6.515 1.00 0.00 C ATOM 1062 C CYS A 70 -3.447 -1.702 7.603 1.00 0.00 C ATOM 1063 O CYS A 70 -4.325 -1.033 8.150 1.00 0.00 O ATOM 1064 CB CYS A 70 -2.894 -1.734 5.164 1.00 0.00 C ATOM 1065 SG CYS A 70 -2.006 -1.002 3.769 1.00 0.00 S ATOM 0 H CYS A 70 -0.680 -1.979 6.259 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.767 -0.028 6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -2.663 -2.798 5.210 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -3.966 -1.648 4.984 1.00 0.00 H new ATOM 0 HG CYS A 70 -2.688 -0.001 3.298 1.00 0.00 H new ATOM 1071 N LEU A 71 -3.209 -2.972 7.912 1.00 0.00 N ATOM 1072 CA LEU A 71 -3.982 -3.669 8.934 1.00 0.00 C ATOM 1073 C LEU A 71 -3.755 -3.046 10.308 1.00 0.00 C ATOM 1074 O LEU A 71 -4.474 -3.342 11.262 1.00 0.00 O ATOM 1075 CB LEU A 71 -3.605 -5.151 8.965 1.00 0.00 C ATOM 1076 CG LEU A 71 -3.752 -5.909 7.644 1.00 0.00 C ATOM 1077 CD1 LEU A 71 -2.991 -7.224 7.696 1.00 0.00 C ATOM 1078 CD2 LEU A 71 -5.221 -6.152 7.329 1.00 0.00 C ATOM 0 H LEU A 71 -2.487 -3.540 7.469 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.038 -3.575 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.570 -5.235 9.296 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.221 -5.646 9.716 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.327 -5.298 6.847 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.107 -7.749 6.748 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.934 -7.026 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.386 -7.841 8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.306 -6.692 6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.672 -6.742 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.739 -5.196 7.248 1.00 0.00 H new ATOM 1090 N LYS A 72 -2.752 -2.180 10.400 1.00 0.00 N ATOM 1091 CA LYS A 72 -2.431 -1.512 11.656 1.00 0.00 C ATOM 1092 C LYS A 72 -3.140 -0.165 11.752 1.00 0.00 C ATOM 1093 O LYS A 72 -3.928 0.070 12.668 1.00 0.00 O ATOM 1094 CB LYS A 72 -0.919 -1.314 11.780 1.00 0.00 C ATOM 1095 CG LYS A 72 -0.493 -0.693 13.099 1.00 0.00 C ATOM 1096 CD LYS A 72 -0.481 0.824 13.024 1.00 0.00 C ATOM 1097 CE LYS A 72 0.813 1.342 12.416 1.00 0.00 C ATOM 1098 NZ LYS A 72 1.854 1.585 13.453 1.00 0.00 N ATOM 0 H LYS A 72 -2.147 -1.924 9.620 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.777 -2.144 12.474 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.424 -2.278 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.576 -0.681 10.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.172 -1.014 13.889 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.500 -1.053 13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.327 1.166 12.428 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.606 1.240 14.024 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.186 0.622 11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.615 2.268 11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.721 1.937 12.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.508 2.291 14.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.061 0.696 13.952 1.00 0.00 H new ATOM 1112 N VAL A 73 -2.856 0.718 10.798 1.00 0.00 N ATOM 1113 CA VAL A 73 -3.469 2.040 10.774 1.00 0.00 C ATOM 1114 C VAL A 73 -4.967 1.957 11.044 1.00 0.00 C ATOM 1115 O VAL A 73 -5.555 2.868 11.626 1.00 0.00 O ATOM 1116 CB VAL A 73 -3.240 2.740 9.421 1.00 0.00 C ATOM 1117 CG1 VAL A 73 -1.765 3.054 9.225 1.00 0.00 C ATOM 1118 CG2 VAL A 73 -3.767 1.881 8.282 1.00 0.00 C ATOM 0 H VAL A 73 -2.206 0.541 10.033 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.993 2.624 11.562 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.790 3.681 9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.623 3.548 8.264 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.423 3.711 10.025 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.190 2.128 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.597 2.390 7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.247 0.923 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.835 1.713 8.417 1.00 0.00 H new ATOM 1128 N GLY A 74 -5.580 0.857 10.618 1.00 0.00 N ATOM 1129 CA GLY A 74 -7.005 0.675 10.823 1.00 0.00 C ATOM 1130 C GLY A 74 -7.655 -0.116 9.705 1.00 0.00 C ATOM 1131 O GLY A 74 -8.638 -0.823 9.927 1.00 0.00 O ATOM 0 H GLY A 74 -5.115 0.089 10.135 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.170 0.162 11.770 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.485 1.650 10.901 1.00 0.00 H new ATOM 1135 N MET A 75 -7.106 0.003 8.501 1.00 0.00 N ATOM 1136 CA MET A 75 -7.640 -0.707 7.344 1.00 0.00 C ATOM 1137 C MET A 75 -8.021 -2.137 7.713 1.00 0.00 C ATOM 1138 O MET A 75 -7.169 -2.935 8.105 1.00 0.00 O ATOM 1139 CB MET A 75 -6.616 -0.717 6.208 1.00 0.00 C ATOM 1140 CG MET A 75 -6.121 0.668 5.824 1.00 0.00 C ATOM 1141 SD MET A 75 -5.056 0.647 4.369 1.00 0.00 S ATOM 1142 CE MET A 75 -6.243 0.256 3.086 1.00 0.00 C ATOM 0 H MET A 75 -6.292 0.584 8.301 1.00 0.00 H new ATOM 0 HA MET A 75 -8.537 -0.185 7.010 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.764 -1.329 6.503 1.00 0.00 H new ATOM 0 HB3 MET A 75 -7.061 -1.190 5.333 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.977 1.315 5.634 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.575 1.100 6.663 1.00 0.00 H new ATOM 0 HE1 MET A 75 -5.726 -0.187 2.235 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.977 -0.451 3.473 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.750 1.168 2.769 1.00 0.00 H new ATOM 1152 N ARG A 76 -9.305 -2.455 7.585 1.00 0.00 N ATOM 1153 CA ARG A 76 -9.798 -3.788 7.906 1.00 0.00 C ATOM 1154 C ARG A 76 -10.026 -4.604 6.637 1.00 0.00 C ATOM 1155 O ARG A 76 -10.436 -4.068 5.608 1.00 0.00 O ATOM 1156 CB ARG A 76 -11.099 -3.695 8.706 1.00 0.00 C ATOM 1157 CG ARG A 76 -12.244 -3.059 7.934 1.00 0.00 C ATOM 1158 CD ARG A 76 -13.395 -2.683 8.854 1.00 0.00 C ATOM 1159 NE ARG A 76 -14.612 -2.370 8.109 1.00 0.00 N ATOM 1160 CZ ARG A 76 -15.667 -1.767 8.645 1.00 0.00 C ATOM 1161 NH1 ARG A 76 -15.654 -1.412 9.923 1.00 0.00 N ATOM 1162 NH2 ARG A 76 -16.737 -1.517 7.902 1.00 0.00 N ATOM 0 H ARG A 76 -10.023 -1.807 7.261 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.043 -4.291 8.510 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.395 -4.696 9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -10.918 -3.117 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.885 -2.170 7.416 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.598 -3.751 7.170 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -13.593 -3.505 9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.109 -1.823 9.459 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.654 -2.629 7.123 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.832 -1.602 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.466 -0.949 10.332 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.750 -1.788 6.919 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -17.547 -1.054 8.314 1.00 0.00 H new ATOM 1176 N ARG A 77 -9.757 -5.903 6.719 1.00 0.00 N ATOM 1177 CA ARG A 77 -9.930 -6.792 5.577 1.00 0.00 C ATOM 1178 C ARG A 77 -11.411 -6.998 5.268 1.00 0.00 C ATOM 1179 O ARG A 77 -11.835 -6.890 4.118 1.00 0.00 O ATOM 1180 CB ARG A 77 -9.263 -8.142 5.848 1.00 0.00 C ATOM 1181 CG ARG A 77 -7.792 -8.031 6.214 1.00 0.00 C ATOM 1182 CD ARG A 77 -7.113 -9.392 6.213 1.00 0.00 C ATOM 1183 NE ARG A 77 -7.704 -10.299 7.194 1.00 0.00 N ATOM 1184 CZ ARG A 77 -7.370 -10.310 8.479 1.00 0.00 C ATOM 1185 NH1 ARG A 77 -6.454 -9.468 8.937 1.00 0.00 N ATOM 1186 NH2 ARG A 77 -7.953 -11.166 9.310 1.00 0.00 N ATOM 0 H ARG A 77 -9.419 -6.363 7.564 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.456 -6.327 4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -9.793 -8.644 6.657 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -9.362 -8.771 4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.289 -7.372 5.507 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.695 -7.575 7.199 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.188 -9.834 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.052 -9.268 6.427 1.00 0.00 H new ATOM 0 HE ARG A 77 -8.412 -10.960 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -6.004 -8.809 8.302 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -6.200 -9.479 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -8.658 -11.816 8.961 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.696 -11.174 10.297 1.00 0.00 H new ATOM 1200 N GLU A 78 -12.190 -7.296 6.303 1.00 0.00 N ATOM 1201 CA GLU A 78 -13.622 -7.518 6.141 1.00 0.00 C ATOM 1202 C GLU A 78 -14.193 -6.613 5.053 1.00 0.00 C ATOM 1203 O GLU A 78 -14.974 -7.055 4.211 1.00 0.00 O ATOM 1204 CB GLU A 78 -14.352 -7.269 7.462 1.00 0.00 C ATOM 1205 CG GLU A 78 -14.102 -5.889 8.045 1.00 0.00 C ATOM 1206 CD GLU A 78 -14.919 -5.626 9.295 1.00 0.00 C ATOM 1207 OE1 GLU A 78 -16.133 -5.364 9.166 1.00 0.00 O ATOM 1208 OE2 GLU A 78 -14.344 -5.683 10.402 1.00 0.00 O ATOM 0 H GLU A 78 -11.854 -7.389 7.262 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.771 -8.555 5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.423 -7.400 7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.041 -8.022 8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.043 -5.784 8.279 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.339 -5.134 7.295 1.00 0.00 H new ATOM 1215 N ALA A 79 -13.798 -5.345 5.079 1.00 0.00 N ATOM 1216 CA ALA A 79 -14.269 -4.377 4.096 1.00 0.00 C ATOM 1217 C ALA A 79 -13.874 -4.794 2.683 1.00 0.00 C ATOM 1218 O ALA A 79 -14.718 -4.883 1.792 1.00 0.00 O ATOM 1219 CB ALA A 79 -13.722 -2.993 4.413 1.00 0.00 C ATOM 0 H ALA A 79 -13.152 -4.964 5.771 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.357 -4.345 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.082 -2.281 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.059 -2.687 5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.633 -3.019 4.392 1.00 0.00 H new ATOM 1225 N VAL A 80 -12.584 -5.048 2.485 1.00 0.00 N ATOM 1226 CA VAL A 80 -12.076 -5.455 1.181 1.00 0.00 C ATOM 1227 C VAL A 80 -12.997 -6.481 0.529 1.00 0.00 C ATOM 1228 O VAL A 80 -13.347 -6.357 -0.644 1.00 0.00 O ATOM 1229 CB VAL A 80 -10.660 -6.050 1.290 1.00 0.00 C ATOM 1230 CG1 VAL A 80 -10.135 -6.436 -0.084 1.00 0.00 C ATOM 1231 CG2 VAL A 80 -9.721 -5.066 1.972 1.00 0.00 C ATOM 0 H VAL A 80 -11.872 -4.979 3.212 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.038 -4.558 0.562 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.710 -6.952 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.133 -6.854 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -10.796 -7.178 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.098 -5.552 -0.721 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -8.724 -5.502 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.675 -4.145 1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.090 -4.845 2.973 1.00 0.00 H new