USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 619 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 20 HIS : no HD1:sc= -0.172 K(o=-0.27,f=-0.98) USER MOD Set 1.2: A 24 LYS NZ :NH3+ -160:sc= -0.102 (180deg=-0.646) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -0.255 (180deg=-2.49!) USER MOD Single : A 32 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.19) USER MOD Single : A 37 HIS : no HD1:sc= -0.881 K(o=-0.88,f=-1.7) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -6.87! C(o=-6.9!,f=-12!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot -58:sc= 1.22 USER MOD Single : A 60 HIS : no HD1:sc= -0.0671 X(o=-0.067,f=-0.25) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.724 X(o=-0.72,f=-1.2) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -151:sc= 0 (180deg=-0.00604) USER MOD Single : A 90 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-3.7!) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.284 F(o=-1.1,f=-0.28) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.194 USER MOD Single : A 100 ASN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 101 ASN :FLIP amide:sc= -0.414 F(o=-1.8,f=-0.41) USER MOD Single : A 102 GLN : amide:sc= -0.0678 K(o=-0.068,f=-0.92!) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.397 -0.947 -7.277 1.00 0.00 N ATOM 109 CA HIS A 20 12.723 0.068 -8.090 1.00 0.00 C ATOM 110 C HIS A 20 11.338 0.384 -7.513 1.00 0.00 C ATOM 111 O HIS A 20 10.928 1.540 -7.465 1.00 0.00 O ATOM 112 CB HIS A 20 12.584 -0.433 -9.553 1.00 0.00 C ATOM 113 CG HIS A 20 11.976 0.649 -10.416 1.00 0.00 C ATOM 114 ND1 HIS A 20 10.609 0.865 -10.471 1.00 0.00 N ATOM 115 CD2 HIS A 20 12.542 1.600 -11.220 1.00 0.00 C ATOM 116 CE1 HIS A 20 10.398 1.917 -11.283 1.00 0.00 C ATOM 117 NE2 HIS A 20 11.544 2.402 -11.767 1.00 0.00 N ATOM 0 HA HIS A 20 13.322 0.979 -8.078 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.562 -0.714 -9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 20 11.960 -1.326 -9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 20 13.601 1.712 -11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 20 9.423 2.319 -11.515 1.00 0.00 H new ATOM 0 HE2 HIS A 20 11.663 3.191 -12.402 1.00 0.00 H new ATOM 125 N MET A 21 10.621 -0.665 -7.089 1.00 0.00 N ATOM 126 CA MET A 21 9.277 -0.498 -6.523 1.00 0.00 C ATOM 127 C MET A 21 9.368 0.143 -5.144 1.00 0.00 C ATOM 128 O MET A 21 8.627 1.072 -4.829 1.00 0.00 O ATOM 129 CB MET A 21 8.590 -1.876 -6.427 1.00 0.00 C ATOM 130 CG MET A 21 8.375 -2.462 -7.839 1.00 0.00 C ATOM 131 SD MET A 21 7.566 -4.069 -7.702 1.00 0.00 S ATOM 132 CE MET A 21 7.623 -4.475 -9.457 1.00 0.00 C ATOM 0 H MET A 21 10.946 -1.631 -7.127 1.00 0.00 H new ATOM 0 HA MET A 21 8.688 0.153 -7.169 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.201 -2.555 -5.832 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.632 -1.779 -5.916 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.765 -1.785 -8.437 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.331 -2.566 -8.351 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.167 -5.452 -9.619 1.00 0.00 H new ATOM 0 HE2 MET A 21 7.076 -3.721 -10.023 1.00 0.00 H new ATOM 0 HE3 MET A 21 8.660 -4.498 -9.792 1.00 0.00 H new ATOM 142 N ALA A 22 10.280 -0.371 -4.309 1.00 0.00 N ATOM 143 CA ALA A 22 10.452 0.147 -2.942 1.00 0.00 C ATOM 144 C ALA A 22 10.553 1.674 -2.958 1.00 0.00 C ATOM 145 O ALA A 22 10.068 2.352 -2.049 1.00 0.00 O ATOM 146 CB ALA A 22 11.722 -0.457 -2.311 1.00 0.00 C ATOM 0 H ALA A 22 10.906 -1.139 -4.551 1.00 0.00 H new ATOM 0 HA ALA A 22 9.584 -0.138 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.845 -0.070 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.630 -1.543 -2.276 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.591 -0.186 -2.911 1.00 0.00 H new ATOM 152 N SER A 23 11.182 2.198 -4.021 1.00 0.00 N ATOM 153 CA SER A 23 11.346 3.642 -4.185 1.00 0.00 C ATOM 154 C SER A 23 9.988 4.335 -4.222 1.00 0.00 C ATOM 155 O SER A 23 9.829 5.421 -3.685 1.00 0.00 O ATOM 156 CB SER A 23 12.123 3.946 -5.487 1.00 0.00 C ATOM 157 OG SER A 23 13.334 3.207 -5.481 1.00 0.00 O ATOM 0 H SER A 23 11.583 1.641 -4.776 1.00 0.00 H new ATOM 0 HA SER A 23 11.911 4.022 -3.334 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.522 3.678 -6.356 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.333 5.013 -5.561 1.00 0.00 H new ATOM 0 HG SER A 23 13.834 3.391 -6.304 1.00 0.00 H new ATOM 163 N LYS A 24 9.009 3.684 -4.870 1.00 0.00 N ATOM 164 CA LYS A 24 7.655 4.249 -4.997 1.00 0.00 C ATOM 165 C LYS A 24 7.038 4.452 -3.632 1.00 0.00 C ATOM 166 O LYS A 24 6.385 5.466 -3.370 1.00 0.00 O ATOM 167 CB LYS A 24 6.763 3.298 -5.829 1.00 0.00 C ATOM 168 CG LYS A 24 7.370 3.119 -7.244 1.00 0.00 C ATOM 169 CD LYS A 24 6.478 2.180 -8.098 1.00 0.00 C ATOM 170 CE LYS A 24 7.097 1.992 -9.499 1.00 0.00 C ATOM 171 NZ LYS A 24 7.205 3.326 -10.152 1.00 0.00 N ATOM 0 H LYS A 24 9.128 2.772 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 24 7.728 5.213 -5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.683 2.331 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.754 3.703 -5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.462 4.089 -7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.375 2.705 -7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.376 1.214 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.476 2.599 -8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.080 1.529 -9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 6.478 1.325 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.291 3.203 -11.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.355 3.886 -9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 8.045 3.822 -9.791 1.00 0.00 H new ATOM 185 N ARG A 25 7.238 3.469 -2.758 1.00 0.00 N ATOM 186 CA ARG A 25 6.680 3.553 -1.411 1.00 0.00 C ATOM 187 C ARG A 25 7.252 4.776 -0.679 1.00 0.00 C ATOM 188 O ARG A 25 6.515 5.540 -0.056 1.00 0.00 O ATOM 189 CB ARG A 25 7.022 2.275 -0.622 1.00 0.00 C ATOM 190 CG ARG A 25 6.273 2.263 0.752 1.00 0.00 C ATOM 191 CD ARG A 25 6.693 1.048 1.578 1.00 0.00 C ATOM 192 NE ARG A 25 6.366 -0.180 0.846 1.00 0.00 N ATOM 193 CZ ARG A 25 6.755 -1.379 1.293 1.00 0.00 C ATOM 194 NH1 ARG A 25 7.452 -1.467 2.394 1.00 0.00 N ATOM 195 NH2 ARG A 25 6.447 -2.456 0.627 1.00 0.00 N ATOM 0 H ARG A 25 7.771 2.621 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 25 5.597 3.654 -1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.743 1.396 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.098 2.219 -0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.494 3.178 1.302 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.196 2.243 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.763 1.087 1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.183 1.056 2.541 1.00 0.00 H new ATOM 0 HE ARG A 25 5.832 -0.118 -0.021 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.698 -0.623 2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.750 -2.380 2.737 1.00 0.00 H new ATOM 0 HH21 ARG A 25 5.909 -2.385 -0.236 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.744 -3.370 0.969 1.00 0.00 H new ATOM 209 N ASP A 26 8.580 4.932 -0.763 1.00 0.00 N ATOM 210 CA ASP A 26 9.267 6.041 -0.105 1.00 0.00 C ATOM 211 C ASP A 26 8.944 7.345 -0.795 1.00 0.00 C ATOM 212 O ASP A 26 8.999 8.407 -0.176 1.00 0.00 O ATOM 213 CB ASP A 26 10.795 5.812 -0.119 1.00 0.00 C ATOM 214 CG ASP A 26 11.120 4.478 0.560 1.00 0.00 C ATOM 215 OD1 ASP A 26 10.881 4.381 1.753 1.00 0.00 O ATOM 216 OD2 ASP A 26 11.587 3.579 -0.119 1.00 0.00 O ATOM 0 H ASP A 26 9.195 4.303 -1.280 1.00 0.00 H new ATOM 0 HA ASP A 26 8.923 6.090 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.163 5.809 -1.145 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.300 6.628 0.398 1.00 0.00 H new ATOM 221 N LYS A 27 8.638 7.258 -2.096 1.00 0.00 N ATOM 222 CA LYS A 27 8.350 8.450 -2.877 1.00 0.00 C ATOM 223 C LYS A 27 7.154 9.206 -2.309 1.00 0.00 C ATOM 224 O LYS A 27 7.255 10.364 -1.933 1.00 0.00 O ATOM 225 CB LYS A 27 8.071 8.059 -4.350 1.00 0.00 C ATOM 226 CG LYS A 27 8.003 9.316 -5.253 1.00 0.00 C ATOM 227 CD LYS A 27 7.807 8.928 -6.735 1.00 0.00 C ATOM 228 CE LYS A 27 7.757 10.197 -7.606 1.00 0.00 C ATOM 229 NZ LYS A 27 7.595 9.791 -9.010 1.00 0.00 N ATOM 0 H LYS A 27 8.586 6.383 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 27 9.220 9.105 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.855 7.391 -4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 27 7.131 7.510 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.181 9.955 -4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.920 9.896 -5.144 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.623 8.283 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.885 8.359 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.929 10.836 -7.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.671 10.778 -7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.347 10.222 -9.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.656 8.755 -9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.668 10.108 -9.358 1.00 0.00 H new ATOM 243 N ILE A 28 6.017 8.526 -2.245 1.00 0.00 N ATOM 244 CA ILE A 28 4.793 9.145 -1.734 1.00 0.00 C ATOM 245 C ILE A 28 4.959 9.494 -0.262 1.00 0.00 C ATOM 246 O ILE A 28 4.529 10.556 0.182 1.00 0.00 O ATOM 247 CB ILE A 28 3.591 8.179 -1.909 1.00 0.00 C ATOM 248 CG1 ILE A 28 3.476 7.744 -3.418 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.257 8.872 -1.440 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.473 6.585 -3.569 1.00 0.00 C ATOM 0 H ILE A 28 5.913 7.554 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 28 4.602 10.057 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 28 3.755 7.295 -1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.156 8.592 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.454 7.438 -3.790 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.423 8.182 -1.569 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.340 9.148 -0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.083 9.767 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.405 6.297 -4.618 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.810 5.733 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.492 6.904 -3.217 1.00 0.00 H new ATOM 262 N ALA A 29 5.550 8.570 0.492 1.00 0.00 N ATOM 263 CA ALA A 29 5.726 8.763 1.936 1.00 0.00 C ATOM 264 C ALA A 29 6.430 10.083 2.251 1.00 0.00 C ATOM 265 O ALA A 29 5.902 10.929 2.985 1.00 0.00 O ATOM 266 CB ALA A 29 6.548 7.600 2.523 1.00 0.00 C ATOM 0 H ALA A 29 5.913 7.686 0.135 1.00 0.00 H new ATOM 0 HA ALA A 29 4.734 8.789 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.675 7.749 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.025 6.660 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.526 7.567 2.043 1.00 0.00 H new ATOM 272 N ASP A 30 7.635 10.235 1.691 1.00 0.00 N ATOM 273 CA ASP A 30 8.446 11.436 1.923 1.00 0.00 C ATOM 274 C ASP A 30 7.751 12.690 1.415 1.00 0.00 C ATOM 275 O ASP A 30 7.913 13.777 1.963 1.00 0.00 O ATOM 276 CB ASP A 30 9.833 11.280 1.225 1.00 0.00 C ATOM 277 CG ASP A 30 9.749 11.607 -0.276 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.852 12.782 -0.604 1.00 0.00 O ATOM 279 OD2 ASP A 30 9.591 10.701 -1.062 1.00 0.00 O ATOM 0 H ASP A 30 8.069 9.546 1.077 1.00 0.00 H new ATOM 0 HA ASP A 30 8.584 11.544 2.999 1.00 0.00 H new ATOM 0 HB2 ASP A 30 10.558 11.940 1.702 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.195 10.260 1.357 1.00 0.00 H new ATOM 284 N ILE A 31 6.972 12.524 0.346 1.00 0.00 N ATOM 285 CA ILE A 31 6.254 13.654 -0.260 1.00 0.00 C ATOM 286 C ILE A 31 5.017 13.993 0.536 1.00 0.00 C ATOM 287 O ILE A 31 4.638 15.161 0.630 1.00 0.00 O ATOM 288 CB ILE A 31 5.863 13.308 -1.726 1.00 0.00 C ATOM 289 CG1 ILE A 31 7.170 13.208 -2.614 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.883 14.394 -2.325 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.841 12.685 -4.029 1.00 0.00 C ATOM 0 H ILE A 31 6.820 11.628 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 31 6.913 14.522 -0.257 1.00 0.00 H new ATOM 0 HB ILE A 31 5.345 12.349 -1.729 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.641 14.188 -2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.889 12.543 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.627 14.127 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.975 14.436 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.371 15.369 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.757 12.626 -4.617 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.393 11.694 -3.956 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.141 13.365 -4.515 1.00 0.00 H new ATOM 303 N GLN A 32 4.356 12.973 1.058 1.00 0.00 N ATOM 304 CA GLN A 32 3.108 13.171 1.801 1.00 0.00 C ATOM 305 C GLN A 32 3.339 14.099 2.967 1.00 0.00 C ATOM 306 O GLN A 32 2.704 15.149 3.065 1.00 0.00 O ATOM 307 CB GLN A 32 2.551 11.781 2.294 1.00 0.00 C ATOM 308 CG GLN A 32 1.455 11.242 1.322 1.00 0.00 C ATOM 309 CD GLN A 32 0.178 12.081 1.464 1.00 0.00 C ATOM 310 OE1 GLN A 32 -0.360 12.199 2.563 1.00 0.00 O ATOM 311 NE2 GLN A 32 -0.317 12.692 0.423 1.00 0.00 N ATOM 0 H GLN A 32 4.656 12.001 0.985 1.00 0.00 H new ATOM 0 HA GLN A 32 2.368 13.627 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.367 11.062 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.134 11.887 3.296 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.815 11.282 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.241 10.196 1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.131 12.592 -0.488 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.152 13.269 0.520 1.00 0.00 H new ATOM 320 N GLU A 33 4.267 13.708 3.838 1.00 0.00 N ATOM 321 CA GLU A 33 4.581 14.507 5.017 1.00 0.00 C ATOM 322 C GLU A 33 5.083 15.863 4.606 1.00 0.00 C ATOM 323 O GLU A 33 4.578 16.878 5.077 1.00 0.00 O ATOM 324 CB GLU A 33 5.649 13.798 5.859 1.00 0.00 C ATOM 325 CG GLU A 33 5.099 12.446 6.383 1.00 0.00 C ATOM 326 CD GLU A 33 6.171 11.720 7.200 1.00 0.00 C ATOM 327 OE1 GLU A 33 7.311 11.727 6.767 1.00 0.00 O ATOM 328 OE2 GLU A 33 5.837 11.172 8.237 1.00 0.00 O ATOM 0 H GLU A 33 4.810 12.849 3.750 1.00 0.00 H new ATOM 0 HA GLU A 33 3.674 14.627 5.610 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.543 13.628 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.942 14.430 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.217 12.618 6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.786 11.823 5.545 1.00 0.00 H new ATOM 335 N ALA A 34 6.134 15.884 3.765 1.00 0.00 N ATOM 336 CA ALA A 34 6.758 17.137 3.359 1.00 0.00 C ATOM 337 C ALA A 34 5.708 18.157 3.025 1.00 0.00 C ATOM 338 O ALA A 34 5.694 19.187 3.654 1.00 0.00 O ATOM 339 CB ALA A 34 7.608 16.907 2.106 1.00 0.00 C ATOM 0 H ALA A 34 6.559 15.049 3.361 1.00 0.00 H new ATOM 0 HA ALA A 34 7.377 17.494 4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.073 17.846 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.382 16.171 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.974 16.541 1.298 1.00 0.00 H new ATOM 345 N LEU A 35 4.818 17.843 2.072 1.00 0.00 N ATOM 346 CA LEU A 35 3.754 18.779 1.723 1.00 0.00 C ATOM 347 C LEU A 35 2.716 18.902 2.856 1.00 0.00 C ATOM 348 O LEU A 35 2.422 20.003 3.329 1.00 0.00 O ATOM 349 CB LEU A 35 3.058 18.260 0.435 1.00 0.00 C ATOM 350 CG LEU A 35 1.727 19.058 0.127 1.00 0.00 C ATOM 351 CD1 LEU A 35 2.008 20.608 0.045 1.00 0.00 C ATOM 352 CD2 LEU A 35 1.077 18.539 -1.169 1.00 0.00 C ATOM 0 H LEU A 35 4.816 16.970 1.544 1.00 0.00 H new ATOM 0 HA LEU A 35 4.187 19.767 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.741 18.351 -0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.829 17.200 0.547 1.00 0.00 H new ATOM 0 HG LEU A 35 1.027 18.892 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.078 21.136 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.413 20.955 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.727 20.806 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.163 19.098 -1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.769 18.670 -2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.839 17.481 -1.058 1.00 0.00 H new ATOM 364 N ALA A 36 2.087 17.772 3.217 1.00 0.00 N ATOM 365 CA ALA A 36 1.011 17.783 4.232 1.00 0.00 C ATOM 366 C ALA A 36 1.465 18.556 5.469 1.00 0.00 C ATOM 367 O ALA A 36 0.878 19.573 5.864 1.00 0.00 O ATOM 368 CB ALA A 36 0.652 16.338 4.602 1.00 0.00 C ATOM 0 H ALA A 36 2.297 16.851 2.831 1.00 0.00 H new ATOM 0 HA ALA A 36 0.129 18.278 3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.141 16.340 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.310 15.809 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.531 15.837 5.007 1.00 0.00 H new ATOM 374 N HIS A 37 2.554 18.075 6.031 1.00 0.00 N ATOM 375 CA HIS A 37 3.220 18.662 7.189 1.00 0.00 C ATOM 376 C HIS A 37 3.937 19.953 6.805 1.00 0.00 C ATOM 377 O HIS A 37 4.925 20.302 7.462 1.00 0.00 O ATOM 378 CB HIS A 37 4.202 17.666 7.868 1.00 0.00 C ATOM 379 CG HIS A 37 4.557 18.184 9.242 1.00 0.00 C ATOM 380 ND1 HIS A 37 5.790 18.755 9.526 1.00 0.00 N ATOM 381 CD2 HIS A 37 3.829 18.265 10.397 1.00 0.00 C ATOM 382 CE1 HIS A 37 5.765 19.146 10.812 1.00 0.00 C ATOM 383 NE2 HIS A 37 4.592 18.870 11.390 1.00 0.00 N ATOM 0 H HIS A 37 3.021 17.236 5.687 1.00 0.00 H new ATOM 0 HA HIS A 37 2.446 18.898 7.919 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.745 16.680 7.944 1.00 0.00 H new ATOM 0 HB3 HIS A 37 5.102 17.554 7.264 1.00 0.00 H new ATOM 0 HD2 HIS A 37 2.815 17.913 10.519 1.00 0.00 H new ATOM 0 HE1 HIS A 37 6.592 19.625 11.316 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.316 19.062 12.353 1.00 0.00 H new ATOM 391 N ALA A 38 3.490 20.629 5.723 1.00 0.00 N ATOM 392 CA ALA A 38 4.153 21.862 5.278 1.00 0.00 C ATOM 393 C ALA A 38 3.269 23.042 5.372 1.00 0.00 C ATOM 394 O ALA A 38 3.657 23.990 6.048 1.00 0.00 O ATOM 395 CB ALA A 38 4.575 21.729 3.780 1.00 0.00 C ATOM 0 H ALA A 38 2.691 20.345 5.157 1.00 0.00 H new ATOM 0 HA ALA A 38 5.014 22.001 5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.066 22.647 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.263 20.891 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.691 21.556 3.167 1.00 0.00 H new ATOM 401 N ASP A 39 2.058 22.962 4.722 1.00 0.00 N ATOM 402 CA ASP A 39 1.046 24.082 4.676 1.00 0.00 C ATOM 403 C ASP A 39 1.625 25.358 5.301 1.00 0.00 C ATOM 404 O ASP A 39 1.063 25.942 6.239 1.00 0.00 O ATOM 405 CB ASP A 39 -0.249 23.673 5.413 1.00 0.00 C ATOM 406 CG ASP A 39 -0.822 22.394 4.808 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.853 22.297 3.592 1.00 0.00 O ATOM 408 OD2 ASP A 39 -1.224 21.526 5.569 1.00 0.00 O ATOM 0 H ASP A 39 1.757 22.127 4.219 1.00 0.00 H new ATOM 0 HA ASP A 39 0.807 24.281 3.631 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.040 23.521 6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.983 24.476 5.345 1.00 0.00 H new ATOM 413 N ALA A 40 2.842 25.719 4.840 1.00 0.00 N ATOM 414 CA ALA A 40 3.582 26.830 5.429 1.00 0.00 C ATOM 415 C ALA A 40 2.814 28.120 5.304 1.00 0.00 C ATOM 416 O ALA A 40 2.599 28.826 6.290 1.00 0.00 O ATOM 417 CB ALA A 40 4.963 26.972 4.741 1.00 0.00 C ATOM 0 H ALA A 40 3.320 25.255 4.068 1.00 0.00 H new ATOM 0 HA ALA A 40 3.725 26.618 6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.508 27.804 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.532 26.052 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.822 27.160 3.677 1.00 0.00 H new ATOM 423 N ASN A 41 2.403 28.407 4.079 1.00 0.00 N ATOM 424 CA ASN A 41 1.647 29.624 3.775 1.00 0.00 C ATOM 425 C ASN A 41 0.166 29.382 3.899 1.00 0.00 C ATOM 426 O ASN A 41 -0.605 30.182 3.373 1.00 0.00 O ATOM 427 CB ASN A 41 1.977 30.080 2.332 1.00 0.00 C ATOM 428 CG ASN A 41 3.477 30.324 2.199 1.00 0.00 C ATOM 429 OD1 ASN A 41 3.991 31.299 2.742 1.00 0.00 O ATOM 430 ND2 ASN A 41 4.210 29.488 1.516 1.00 0.00 N ATOM 0 H ASN A 41 2.579 27.812 3.269 1.00 0.00 H new ATOM 0 HA ASN A 41 1.930 30.399 4.488 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.658 29.320 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.428 30.991 2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.215 29.642 1.431 1.00 0.00 H new ATOM 0 HD22 ASN A 41 3.778 28.680 1.067 1.00 0.00 H new ATOM 437 N ALA A 42 -0.234 28.293 4.615 1.00 0.00 N ATOM 438 CA ALA A 42 -1.674 27.956 4.827 1.00 0.00 C ATOM 439 C ALA A 42 -2.510 28.463 3.637 1.00 0.00 C ATOM 440 O ALA A 42 -3.460 29.228 3.792 1.00 0.00 O ATOM 441 CB ALA A 42 -2.166 28.618 6.135 1.00 0.00 C ATOM 0 H ALA A 42 0.414 27.638 5.052 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.787 26.875 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.217 28.374 6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.577 28.247 6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.051 29.699 6.061 1.00 0.00 H new ATOM 447 N ASP A 43 -2.090 28.061 2.433 1.00 0.00 N ATOM 448 CA ASP A 43 -2.736 28.499 1.184 1.00 0.00 C ATOM 449 C ASP A 43 -3.743 27.482 0.729 1.00 0.00 C ATOM 450 O ASP A 43 -4.669 27.834 0.004 1.00 0.00 O ATOM 451 CB ASP A 43 -1.666 28.735 0.100 1.00 0.00 C ATOM 452 CG ASP A 43 -0.738 27.524 -0.003 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.246 26.417 -0.040 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.468 27.721 -0.048 1.00 0.00 O ATOM 0 H ASP A 43 -1.301 27.429 2.293 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.263 29.436 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.147 28.916 -0.861 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.086 29.626 0.340 1.00 0.00 H new ATOM 459 N GLN A 44 -3.552 26.229 1.142 1.00 0.00 N ATOM 460 CA GLN A 44 -4.471 25.142 0.787 1.00 0.00 C ATOM 461 C GLN A 44 -4.455 24.862 -0.699 1.00 0.00 C ATOM 462 O GLN A 44 -5.280 24.100 -1.186 1.00 0.00 O ATOM 463 CB GLN A 44 -5.916 25.467 1.266 1.00 0.00 C ATOM 464 CG GLN A 44 -5.894 25.786 2.784 1.00 0.00 C ATOM 465 CD GLN A 44 -7.304 26.071 3.273 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.035 25.145 3.618 1.00 0.00 O ATOM 467 NE2 GLN A 44 -7.735 27.301 3.297 1.00 0.00 N ATOM 0 H GLN A 44 -2.767 25.939 1.725 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.128 24.242 1.297 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.313 26.316 0.710 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.575 24.621 1.070 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.472 24.946 3.335 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.253 26.647 2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.121 28.062 3.009 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.687 27.502 3.604 1.00 0.00 H new ATOM 476 N HIS A 45 -3.519 25.494 -1.415 1.00 0.00 N ATOM 477 CA HIS A 45 -3.385 25.326 -2.876 1.00 0.00 C ATOM 478 C HIS A 45 -2.000 24.813 -3.159 1.00 0.00 C ATOM 479 O HIS A 45 -1.181 24.744 -2.247 1.00 0.00 O ATOM 480 CB HIS A 45 -3.622 26.684 -3.596 1.00 0.00 C ATOM 481 CG HIS A 45 -2.465 27.638 -3.384 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.224 27.214 -2.952 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.338 28.988 -3.587 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.412 28.269 -2.905 1.00 0.00 C ATOM 485 NE2 HIS A 45 -1.035 29.384 -3.279 1.00 0.00 N ATOM 0 H HIS A 45 -2.836 26.132 -1.008 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.127 24.619 -3.246 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.761 26.511 -4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.541 27.138 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.124 29.644 -3.932 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.623 28.225 -2.601 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.645 30.325 -3.330 1.00 0.00 H new ATOM 493 N LEU A 46 -1.749 24.492 -4.421 1.00 0.00 N ATOM 494 CA LEU A 46 -0.444 23.989 -4.873 1.00 0.00 C ATOM 495 C LEU A 46 0.126 24.820 -6.003 1.00 0.00 C ATOM 496 O LEU A 46 -0.264 24.657 -7.160 1.00 0.00 O ATOM 497 CB LEU A 46 -0.586 22.503 -5.368 1.00 0.00 C ATOM 498 CG LEU A 46 -0.167 21.493 -4.244 1.00 0.00 C ATOM 499 CD1 LEU A 46 -1.028 21.696 -2.934 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.265 20.049 -4.775 1.00 0.00 C ATOM 0 H LEU A 46 -2.441 24.571 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 46 0.235 24.050 -4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.617 22.313 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.035 22.349 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 46 0.870 21.687 -3.969 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.711 20.980 -2.176 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.885 22.709 -2.558 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.082 21.539 -3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.027 19.352 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.291 19.842 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.399 19.930 -5.631 1.00 0.00 H new ATOM 512 N ASP A 47 1.092 25.686 -5.666 1.00 0.00 N ATOM 513 CA ASP A 47 1.777 26.500 -6.647 1.00 0.00 C ATOM 514 C ASP A 47 3.140 25.876 -6.847 1.00 0.00 C ATOM 515 O ASP A 47 3.737 25.357 -5.890 1.00 0.00 O ATOM 516 CB ASP A 47 1.917 27.945 -6.141 1.00 0.00 C ATOM 517 CG ASP A 47 2.542 28.812 -7.241 1.00 0.00 C ATOM 518 OD1 ASP A 47 1.804 29.236 -8.111 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.743 29.016 -7.208 1.00 0.00 O ATOM 0 H ASP A 47 1.410 25.832 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 47 1.221 26.538 -7.584 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.940 28.340 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.539 27.970 -5.246 1.00 0.00 H new ATOM 524 N PHE A 48 3.619 25.896 -8.090 1.00 0.00 N ATOM 525 CA PHE A 48 4.900 25.315 -8.465 1.00 0.00 C ATOM 526 C PHE A 48 5.968 25.541 -7.418 1.00 0.00 C ATOM 527 O PHE A 48 6.617 24.609 -6.997 1.00 0.00 O ATOM 528 CB PHE A 48 5.387 25.941 -9.802 1.00 0.00 C ATOM 529 CG PHE A 48 6.434 25.012 -10.460 1.00 0.00 C ATOM 530 CD1 PHE A 48 6.009 23.782 -11.008 1.00 0.00 C ATOM 531 CD2 PHE A 48 7.809 25.353 -10.513 1.00 0.00 C ATOM 532 CE1 PHE A 48 6.930 22.912 -11.598 1.00 0.00 C ATOM 533 CE2 PHE A 48 8.723 24.474 -11.112 1.00 0.00 C ATOM 534 CZ PHE A 48 8.283 23.259 -11.653 1.00 0.00 C ATOM 0 H PHE A 48 3.120 26.322 -8.871 1.00 0.00 H new ATOM 0 HA PHE A 48 4.743 24.241 -8.566 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.542 26.088 -10.475 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.822 26.923 -9.618 1.00 0.00 H new ATOM 0 HD1 PHE A 48 4.964 23.511 -10.971 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.152 26.287 -10.093 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.596 21.972 -12.011 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.770 24.735 -11.156 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.992 22.588 -12.114 1.00 0.00 H new ATOM 544 N ASP A 49 6.096 26.790 -6.971 1.00 0.00 N ATOM 545 CA ASP A 49 7.092 27.150 -5.951 1.00 0.00 C ATOM 546 C ASP A 49 7.062 26.179 -4.775 1.00 0.00 C ATOM 547 O ASP A 49 8.083 25.594 -4.398 1.00 0.00 O ATOM 548 CB ASP A 49 6.823 28.585 -5.439 1.00 0.00 C ATOM 549 CG ASP A 49 7.952 29.035 -4.496 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.956 29.495 -4.999 1.00 0.00 O ATOM 551 OD2 ASP A 49 7.791 28.884 -3.293 1.00 0.00 O ATOM 0 H ASP A 49 5.526 27.571 -7.296 1.00 0.00 H new ATOM 0 HA ASP A 49 8.078 27.098 -6.413 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.749 29.272 -6.282 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.867 28.619 -4.916 1.00 0.00 H new ATOM 556 N GLU A 50 5.873 26.025 -4.187 1.00 0.00 N ATOM 557 CA GLU A 50 5.712 25.141 -3.038 1.00 0.00 C ATOM 558 C GLU A 50 6.105 23.715 -3.395 1.00 0.00 C ATOM 559 O GLU A 50 6.909 23.100 -2.714 1.00 0.00 O ATOM 560 CB GLU A 50 4.240 25.157 -2.548 1.00 0.00 C ATOM 561 CG GLU A 50 4.095 24.389 -1.194 1.00 0.00 C ATOM 562 CD GLU A 50 2.650 24.422 -0.709 1.00 0.00 C ATOM 563 OE1 GLU A 50 1.786 24.089 -1.498 1.00 0.00 O ATOM 564 OE2 GLU A 50 2.433 24.763 0.444 1.00 0.00 O ATOM 0 H GLU A 50 5.019 26.496 -4.486 1.00 0.00 H new ATOM 0 HA GLU A 50 6.365 25.502 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.905 26.187 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.597 24.701 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.418 23.356 -1.320 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.746 24.838 -0.444 1.00 0.00 H new ATOM 571 N TRP A 51 5.525 23.197 -4.474 1.00 0.00 N ATOM 572 CA TRP A 51 5.805 21.828 -4.900 1.00 0.00 C ATOM 573 C TRP A 51 7.217 21.694 -5.416 1.00 0.00 C ATOM 574 O TRP A 51 7.753 20.585 -5.498 1.00 0.00 O ATOM 575 CB TRP A 51 4.811 21.431 -6.025 1.00 0.00 C ATOM 576 CG TRP A 51 5.004 19.984 -6.388 1.00 0.00 C ATOM 577 CD1 TRP A 51 5.887 19.514 -7.305 1.00 0.00 C ATOM 578 CD2 TRP A 51 4.351 18.818 -5.814 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.796 18.141 -7.341 1.00 0.00 N ATOM 580 CE2 TRP A 51 4.860 17.661 -6.456 1.00 0.00 C ATOM 581 CE3 TRP A 51 3.367 18.649 -4.820 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.416 16.381 -6.132 1.00 0.00 C ATOM 583 CZ3 TRP A 51 2.915 17.355 -4.492 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.436 16.227 -5.148 1.00 0.00 C ATOM 0 H TRP A 51 4.863 23.699 -5.066 1.00 0.00 H new ATOM 0 HA TRP A 51 5.690 21.169 -4.039 1.00 0.00 H new ATOM 0 HB2 TRP A 51 3.786 21.599 -5.693 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.969 22.060 -6.901 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.551 20.117 -7.907 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.358 17.549 -7.953 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.960 19.510 -4.310 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.825 15.517 -6.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 2.161 17.229 -3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.079 15.241 -4.892 1.00 0.00 H new ATOM 595 N ARG A 52 7.803 22.820 -5.787 1.00 0.00 N ATOM 596 CA ARG A 52 9.152 22.805 -6.325 1.00 0.00 C ATOM 597 C ARG A 52 10.240 22.755 -5.267 1.00 0.00 C ATOM 598 O ARG A 52 11.021 21.826 -5.229 1.00 0.00 O ATOM 599 CB ARG A 52 9.380 24.068 -7.194 1.00 0.00 C ATOM 600 CG ARG A 52 10.796 24.033 -7.934 1.00 0.00 C ATOM 601 CD ARG A 52 11.806 24.984 -7.257 1.00 0.00 C ATOM 602 NE ARG A 52 11.288 26.356 -7.350 1.00 0.00 N ATOM 603 CZ ARG A 52 11.318 27.047 -8.497 1.00 0.00 C ATOM 604 NH1 ARG A 52 11.793 26.494 -9.580 1.00 0.00 N ATOM 605 NH2 ARG A 52 10.851 28.265 -8.538 1.00 0.00 N ATOM 0 H ARG A 52 7.373 23.743 -5.727 1.00 0.00 H new ATOM 0 HA ARG A 52 9.227 21.889 -6.911 1.00 0.00 H new ATOM 0 HB2 ARG A 52 8.585 24.147 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.320 24.957 -6.566 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.188 23.016 -7.925 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.670 24.317 -8.979 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.950 24.703 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.779 24.912 -7.744 1.00 0.00 H new ATOM 0 HE ARG A 52 10.894 26.795 -6.517 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.141 25.536 -9.553 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.816 27.020 -10.453 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.463 28.691 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.874 28.791 -9.412 1.00 0.00 H new ATOM 619 N GLN A 53 10.292 23.794 -4.440 1.00 0.00 N ATOM 620 CA GLN A 53 11.345 23.922 -3.418 1.00 0.00 C ATOM 621 C GLN A 53 11.185 22.932 -2.305 1.00 0.00 C ATOM 622 O GLN A 53 12.176 22.399 -1.776 1.00 0.00 O ATOM 623 CB GLN A 53 11.319 25.355 -2.812 1.00 0.00 C ATOM 624 CG GLN A 53 11.593 26.418 -3.911 1.00 0.00 C ATOM 625 CD GLN A 53 11.576 27.819 -3.305 1.00 0.00 C ATOM 626 OE1 GLN A 53 10.542 28.267 -2.807 1.00 0.00 O ATOM 627 NE2 GLN A 53 12.663 28.536 -3.318 1.00 0.00 N ATOM 0 H GLN A 53 9.622 24.563 -4.451 1.00 0.00 H new ATOM 0 HA GLN A 53 12.295 23.726 -3.915 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.350 25.543 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.068 25.436 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.559 26.228 -4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.839 26.344 -4.695 1.00 0.00 H new ATOM 0 HE21 GLN A 53 13.517 28.161 -3.731 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.661 29.473 -2.915 1.00 0.00 H new ATOM 636 N GLU A 54 9.938 22.711 -1.922 1.00 0.00 N ATOM 637 CA GLU A 54 9.657 21.821 -0.806 1.00 0.00 C ATOM 638 C GLU A 54 10.157 20.404 -1.039 1.00 0.00 C ATOM 639 O GLU A 54 10.866 19.840 -0.206 1.00 0.00 O ATOM 640 CB GLU A 54 8.125 21.788 -0.522 1.00 0.00 C ATOM 641 CG GLU A 54 7.803 21.034 0.810 1.00 0.00 C ATOM 642 CD GLU A 54 8.377 21.801 2.016 1.00 0.00 C ATOM 643 OE1 GLU A 54 8.448 23.019 1.936 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.743 21.160 2.984 1.00 0.00 O ATOM 0 H GLU A 54 9.116 23.128 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 54 10.195 22.219 0.055 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.743 22.807 -0.465 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.611 21.300 -1.350 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.724 20.924 0.921 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.224 20.029 0.777 1.00 0.00 H new ATOM 651 N LEU A 55 9.742 19.814 -2.149 1.00 0.00 N ATOM 652 CA LEU A 55 10.096 18.424 -2.465 1.00 0.00 C ATOM 653 C LEU A 55 11.505 18.323 -2.939 1.00 0.00 C ATOM 654 O LEU A 55 12.138 17.287 -2.793 1.00 0.00 O ATOM 655 CB LEU A 55 9.172 17.890 -3.570 1.00 0.00 C ATOM 656 CG LEU A 55 7.758 17.478 -2.999 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.074 18.683 -2.279 1.00 0.00 C ATOM 658 CD2 LEU A 55 6.863 16.935 -4.147 1.00 0.00 C ATOM 0 H LEU A 55 9.159 20.270 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 55 9.982 17.836 -1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.046 18.652 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.637 17.028 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 55 7.895 16.689 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.102 18.373 -1.895 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.701 19.017 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.941 19.501 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.889 16.653 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.734 17.708 -4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.337 16.063 -4.597 1.00 0.00 H new ATOM 670 N LYS A 56 12.013 19.390 -3.514 1.00 0.00 N ATOM 671 CA LYS A 56 13.374 19.357 -4.030 1.00 0.00 C ATOM 672 C LYS A 56 14.402 18.981 -2.970 1.00 0.00 C ATOM 673 O LYS A 56 15.273 18.131 -3.206 1.00 0.00 O ATOM 674 CB LYS A 56 13.738 20.739 -4.604 1.00 0.00 C ATOM 675 CG LYS A 56 15.181 20.748 -5.174 1.00 0.00 C ATOM 676 CD LYS A 56 15.518 22.105 -5.812 1.00 0.00 C ATOM 677 CE LYS A 56 16.957 22.075 -6.360 1.00 0.00 C ATOM 678 NZ LYS A 56 17.242 23.370 -6.994 1.00 0.00 N ATOM 0 H LYS A 56 11.522 20.276 -3.637 1.00 0.00 H new ATOM 0 HA LYS A 56 13.401 18.589 -4.803 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.032 21.006 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.648 21.495 -3.824 1.00 0.00 H new ATOM 0 HG2 LYS A 56 15.891 20.532 -4.376 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.286 19.958 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.816 22.324 -6.617 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.416 22.901 -5.074 1.00 0.00 H new ATOM 0 HE2 LYS A 56 17.665 21.884 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.070 21.267 -7.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 18.212 23.367 -7.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.570 23.531 -7.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 17.146 24.130 -6.290 1.00 0.00 H new ATOM 692 N CYS A 57 14.321 19.630 -1.808 1.00 0.00 N ATOM 693 CA CYS A 57 15.288 19.383 -0.731 1.00 0.00 C ATOM 694 C CYS A 57 15.253 17.939 -0.258 1.00 0.00 C ATOM 695 O CYS A 57 16.061 17.536 0.567 1.00 0.00 O ATOM 696 CB CYS A 57 14.986 20.335 0.446 1.00 0.00 C ATOM 697 SG CYS A 57 13.381 19.936 1.180 1.00 0.00 S ATOM 0 H CYS A 57 13.606 20.323 -1.587 1.00 0.00 H new ATOM 0 HA CYS A 57 16.289 19.571 -1.119 1.00 0.00 H new ATOM 0 HB2 CYS A 57 15.769 20.252 1.200 1.00 0.00 H new ATOM 0 HB3 CYS A 57 14.987 21.368 0.097 1.00 0.00 H new ATOM 0 HG CYS A 57 12.454 20.029 0.273 1.00 0.00 H new ATOM 703 N ARG A 58 14.288 17.169 -0.779 1.00 0.00 N ATOM 704 CA ARG A 58 14.107 15.756 -0.398 1.00 0.00 C ATOM 705 C ARG A 58 14.924 14.856 -1.274 1.00 0.00 C ATOM 706 O ARG A 58 14.670 13.660 -1.336 1.00 0.00 O ATOM 707 CB ARG A 58 12.599 15.382 -0.478 1.00 0.00 C ATOM 708 CG ARG A 58 11.732 16.430 0.302 1.00 0.00 C ATOM 709 CD ARG A 58 12.082 16.437 1.804 1.00 0.00 C ATOM 710 NE ARG A 58 11.084 17.188 2.551 1.00 0.00 N ATOM 711 CZ ARG A 58 11.175 17.317 3.879 1.00 0.00 C ATOM 712 NH1 ARG A 58 12.179 16.766 4.526 1.00 0.00 N ATOM 713 NH2 ARG A 58 10.271 17.981 4.521 1.00 0.00 N ATOM 0 H ARG A 58 13.615 17.501 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 58 14.452 15.622 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 58 12.283 15.343 -1.520 1.00 0.00 H new ATOM 0 HB3 ARG A 58 12.442 14.388 -0.060 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.894 17.423 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.675 16.199 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.132 15.414 2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.067 16.880 1.953 1.00 0.00 H new ATOM 0 HE ARG A 58 10.305 17.622 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.888 16.240 4.015 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.248 16.864 5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.493 18.404 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.336 18.082 5.534 1.00 0.00 H new ATOM 727 N GLY A 59 15.920 15.431 -1.946 1.00 0.00 N ATOM 728 CA GLY A 59 16.802 14.659 -2.821 1.00 0.00 C ATOM 729 C GLY A 59 16.229 14.539 -4.208 1.00 0.00 C ATOM 730 O GLY A 59 16.765 13.803 -5.025 1.00 0.00 O ATOM 0 H GLY A 59 16.137 16.427 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.780 15.138 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.955 13.665 -2.401 1.00 0.00 H new ATOM 734 N HIS A 60 15.130 15.265 -4.480 1.00 0.00 N ATOM 735 CA HIS A 60 14.475 15.233 -5.809 1.00 0.00 C ATOM 736 C HIS A 60 14.992 16.398 -6.638 1.00 0.00 C ATOM 737 O HIS A 60 15.313 17.451 -6.094 1.00 0.00 O ATOM 738 CB HIS A 60 12.942 15.339 -5.637 1.00 0.00 C ATOM 739 CG HIS A 60 12.447 14.165 -4.841 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.963 12.893 -5.017 1.00 0.00 N ATOM 741 CD2 HIS A 60 11.485 14.053 -3.876 1.00 0.00 C ATOM 742 CE1 HIS A 60 12.313 12.074 -4.172 1.00 0.00 C ATOM 743 NE2 HIS A 60 11.400 12.731 -3.453 1.00 0.00 N ATOM 0 H HIS A 60 14.675 15.879 -3.804 1.00 0.00 H new ATOM 0 HA HIS A 60 14.704 14.296 -6.316 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.685 16.270 -5.131 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.456 15.362 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.883 14.867 -3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.506 11.015 -4.085 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.774 12.346 -2.745 1.00 0.00 H new ATOM 751 N ALA A 61 15.065 16.196 -7.960 1.00 0.00 N ATOM 752 CA ALA A 61 15.537 17.228 -8.888 1.00 0.00 C ATOM 753 C ALA A 61 14.370 18.109 -9.309 1.00 0.00 C ATOM 754 O ALA A 61 13.209 17.738 -9.137 1.00 0.00 O ATOM 755 CB ALA A 61 16.171 16.553 -10.124 1.00 0.00 C ATOM 0 H ALA A 61 14.801 15.320 -8.412 1.00 0.00 H new ATOM 0 HA ALA A 61 16.287 17.849 -8.398 1.00 0.00 H new ATOM 0 HB1 ALA A 61 16.523 17.318 -10.816 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.011 15.934 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.427 15.930 -10.620 1.00 0.00 H new ATOM 761 N ASP A 62 14.699 19.276 -9.850 1.00 0.00 N ATOM 762 CA ASP A 62 13.688 20.236 -10.296 1.00 0.00 C ATOM 763 C ASP A 62 12.979 19.744 -11.554 1.00 0.00 C ATOM 764 O ASP A 62 11.799 20.021 -11.754 1.00 0.00 O ATOM 765 CB ASP A 62 14.359 21.598 -10.589 1.00 0.00 C ATOM 766 CG ASP A 62 13.293 22.650 -10.959 1.00 0.00 C ATOM 767 OD1 ASP A 62 12.377 22.818 -10.170 1.00 0.00 O ATOM 768 OD2 ASP A 62 13.399 23.243 -12.019 1.00 0.00 O ATOM 0 H ASP A 62 15.661 19.584 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 62 12.949 20.345 -9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.920 21.930 -9.716 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.073 21.491 -11.405 1.00 0.00 H new ATOM 773 N ALA A 63 13.714 19.067 -12.432 1.00 0.00 N ATOM 774 CA ALA A 63 13.147 18.562 -13.688 1.00 0.00 C ATOM 775 C ALA A 63 12.336 17.292 -13.483 1.00 0.00 C ATOM 776 O ALA A 63 11.239 17.139 -14.024 1.00 0.00 O ATOM 777 CB ALA A 63 14.288 18.276 -14.686 1.00 0.00 C ATOM 0 H ALA A 63 14.703 18.853 -12.301 1.00 0.00 H new ATOM 0 HA ALA A 63 12.476 19.328 -14.077 1.00 0.00 H new ATOM 0 HB1 ALA A 63 13.869 17.901 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.841 19.195 -14.880 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.961 17.530 -14.265 1.00 0.00 H new ATOM 783 N ASP A 64 12.900 16.351 -12.723 1.00 0.00 N ATOM 784 CA ASP A 64 12.255 15.056 -12.495 1.00 0.00 C ATOM 785 C ASP A 64 10.930 15.225 -11.794 1.00 0.00 C ATOM 786 O ASP A 64 9.965 14.521 -12.100 1.00 0.00 O ATOM 787 CB ASP A 64 13.183 14.155 -11.639 1.00 0.00 C ATOM 788 CG ASP A 64 14.521 13.918 -12.353 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.545 13.976 -13.578 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.498 13.692 -11.667 1.00 0.00 O ATOM 0 H ASP A 64 13.800 16.461 -12.256 1.00 0.00 H new ATOM 0 HA ASP A 64 12.075 14.589 -13.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.360 14.623 -10.671 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.694 13.200 -11.447 1.00 0.00 H new ATOM 795 N ILE A 65 10.888 16.157 -10.841 1.00 0.00 N ATOM 796 CA ILE A 65 9.668 16.394 -10.086 1.00 0.00 C ATOM 797 C ILE A 65 8.619 17.074 -10.926 1.00 0.00 C ATOM 798 O ILE A 65 7.421 16.995 -10.655 1.00 0.00 O ATOM 799 CB ILE A 65 9.989 17.267 -8.815 1.00 0.00 C ATOM 800 CG1 ILE A 65 8.921 16.986 -7.683 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.063 18.806 -9.156 1.00 0.00 C ATOM 802 CD1 ILE A 65 9.305 15.751 -6.853 1.00 0.00 C ATOM 0 H ILE A 65 11.676 16.750 -10.580 1.00 0.00 H new ATOM 0 HA ILE A 65 9.271 15.427 -9.776 1.00 0.00 H new ATOM 0 HB ILE A 65 10.975 16.979 -8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 65 8.841 17.856 -7.031 1.00 0.00 H new ATOM 0 HG13 ILE A 65 7.940 16.834 -8.134 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.286 19.369 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 65 10.847 18.978 -9.893 1.00 0.00 H new ATOM 0 HG23 ILE A 65 9.106 19.135 -9.561 1.00 0.00 H new ATOM 0 HD11 ILE A 65 8.553 15.582 -6.083 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.360 14.878 -7.504 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.275 15.915 -6.383 1.00 0.00 H new ATOM 814 N GLU A 66 9.087 17.814 -11.924 1.00 0.00 N ATOM 815 CA GLU A 66 8.192 18.595 -12.770 1.00 0.00 C ATOM 816 C GLU A 66 7.352 17.689 -13.646 1.00 0.00 C ATOM 817 O GLU A 66 6.166 17.939 -13.864 1.00 0.00 O ATOM 818 CB GLU A 66 8.995 19.587 -13.655 1.00 0.00 C ATOM 819 CG GLU A 66 8.030 20.424 -14.602 1.00 0.00 C ATOM 820 CD GLU A 66 7.778 19.645 -15.911 1.00 0.00 C ATOM 821 OE1 GLU A 66 8.684 19.605 -16.725 1.00 0.00 O ATOM 822 OE2 GLU A 66 6.697 19.099 -16.073 1.00 0.00 O ATOM 0 H GLU A 66 10.075 17.890 -12.167 1.00 0.00 H new ATOM 0 HA GLU A 66 7.530 19.164 -12.117 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.564 20.266 -13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.716 19.037 -14.260 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.085 20.616 -14.095 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.475 21.394 -14.825 1.00 0.00 H new ATOM 829 N ALA A 67 7.993 16.643 -14.166 1.00 0.00 N ATOM 830 CA ALA A 67 7.319 15.691 -15.060 1.00 0.00 C ATOM 831 C ALA A 67 6.099 15.044 -14.398 1.00 0.00 C ATOM 832 O ALA A 67 5.006 15.031 -14.972 1.00 0.00 O ATOM 833 CB ALA A 67 8.308 14.584 -15.489 1.00 0.00 C ATOM 0 H ALA A 67 8.974 16.430 -13.987 1.00 0.00 H new ATOM 0 HA ALA A 67 6.975 16.251 -15.930 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.803 13.881 -16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.152 15.033 -16.012 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.668 14.056 -14.606 1.00 0.00 H new ATOM 839 N VAL A 68 6.305 14.522 -13.196 1.00 0.00 N ATOM 840 CA VAL A 68 5.239 13.868 -12.431 1.00 0.00 C ATOM 841 C VAL A 68 4.240 14.884 -11.907 1.00 0.00 C ATOM 842 O VAL A 68 3.077 14.549 -11.690 1.00 0.00 O ATOM 843 CB VAL A 68 5.866 13.081 -11.238 1.00 0.00 C ATOM 844 CG1 VAL A 68 6.820 11.974 -11.782 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.668 14.050 -10.302 1.00 0.00 C ATOM 0 H VAL A 68 7.208 14.537 -12.722 1.00 0.00 H new ATOM 0 HA VAL A 68 4.710 13.181 -13.092 1.00 0.00 H new ATOM 0 HB VAL A 68 5.062 12.622 -10.663 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.256 11.427 -10.946 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.257 11.286 -12.412 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.615 12.435 -12.368 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.098 13.484 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.467 14.527 -10.870 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.997 14.814 -9.908 1.00 0.00 H new ATOM 855 N PHE A 69 4.703 16.121 -11.684 1.00 0.00 N ATOM 856 CA PHE A 69 3.840 17.172 -11.160 1.00 0.00 C ATOM 857 C PHE A 69 2.900 17.653 -12.247 1.00 0.00 C ATOM 858 O PHE A 69 1.688 17.567 -12.088 1.00 0.00 O ATOM 859 CB PHE A 69 4.690 18.330 -10.650 1.00 0.00 C ATOM 860 CG PHE A 69 3.773 19.493 -10.243 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.023 19.409 -9.052 1.00 0.00 C ATOM 862 CD2 PHE A 69 3.637 20.639 -11.071 1.00 0.00 C ATOM 863 CE1 PHE A 69 2.164 20.455 -8.688 1.00 0.00 C ATOM 864 CE2 PHE A 69 2.777 21.676 -10.697 1.00 0.00 C ATOM 865 CZ PHE A 69 2.043 21.585 -9.507 1.00 0.00 C ATOM 0 H PHE A 69 5.665 16.411 -11.859 1.00 0.00 H new ATOM 0 HA PHE A 69 3.250 16.776 -10.333 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.289 18.009 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 69 5.385 18.654 -11.424 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.111 18.538 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.199 20.709 -11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.594 20.390 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.678 22.548 -11.326 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.381 22.389 -9.220 1.00 0.00 H new ATOM 875 N ALA A 70 3.458 18.215 -13.343 1.00 0.00 N ATOM 876 CA ALA A 70 2.659 18.761 -14.463 1.00 0.00 C ATOM 877 C ALA A 70 1.481 17.862 -14.782 1.00 0.00 C ATOM 878 O ALA A 70 0.458 18.281 -15.295 1.00 0.00 O ATOM 879 CB ALA A 70 3.549 18.903 -15.708 1.00 0.00 C ATOM 0 H ALA A 70 4.466 18.302 -13.476 1.00 0.00 H new ATOM 0 HA ALA A 70 2.275 19.737 -14.167 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.960 19.305 -16.532 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.376 19.579 -15.489 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.943 17.926 -15.987 1.00 0.00 H new ATOM 885 N LYS A 71 1.579 16.617 -14.386 1.00 0.00 N ATOM 886 CA LYS A 71 0.513 15.638 -14.530 1.00 0.00 C ATOM 887 C LYS A 71 -0.806 16.146 -13.905 1.00 0.00 C ATOM 888 O LYS A 71 -1.858 15.554 -14.080 1.00 0.00 O ATOM 889 CB LYS A 71 0.906 14.306 -13.855 1.00 0.00 C ATOM 890 CG LYS A 71 -0.031 13.165 -14.347 1.00 0.00 C ATOM 891 CD LYS A 71 0.312 11.828 -13.680 1.00 0.00 C ATOM 892 CE LYS A 71 -0.614 10.720 -14.225 1.00 0.00 C ATOM 893 NZ LYS A 71 -0.267 9.455 -13.565 1.00 0.00 N ATOM 0 H LYS A 71 2.418 16.241 -13.944 1.00 0.00 H new ATOM 0 HA LYS A 71 0.361 15.480 -15.598 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.943 14.063 -14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.837 14.403 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.067 13.425 -14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.053 13.065 -15.429 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.354 11.572 -13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.199 11.911 -12.599 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.658 10.972 -14.036 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -0.499 10.628 -15.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.883 8.697 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.725 9.219 -13.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -0.397 9.552 -12.538 1.00 0.00 H new ATOM 907 N TYR A 72 -0.730 17.242 -13.132 1.00 0.00 N ATOM 908 CA TYR A 72 -1.904 17.824 -12.440 1.00 0.00 C ATOM 909 C TYR A 72 -2.346 19.137 -13.047 1.00 0.00 C ATOM 910 O TYR A 72 -3.389 19.654 -12.666 1.00 0.00 O ATOM 911 CB TYR A 72 -1.526 18.026 -10.959 1.00 0.00 C ATOM 912 CG TYR A 72 -1.010 16.687 -10.375 1.00 0.00 C ATOM 913 CD1 TYR A 72 -1.839 15.538 -10.390 1.00 0.00 C ATOM 914 CD2 TYR A 72 0.296 16.581 -9.831 1.00 0.00 C ATOM 915 CE1 TYR A 72 -1.370 14.322 -9.883 1.00 0.00 C ATOM 916 CE2 TYR A 72 0.750 15.358 -9.322 1.00 0.00 C ATOM 917 CZ TYR A 72 -0.078 14.236 -9.352 1.00 0.00 C ATOM 918 OH TYR A 72 0.371 13.043 -8.839 1.00 0.00 O ATOM 0 H TYR A 72 0.139 17.751 -12.966 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.746 17.139 -12.544 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.759 18.795 -10.869 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -2.392 18.372 -10.395 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.838 15.602 -10.795 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.942 17.446 -9.809 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.005 13.449 -9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.744 15.283 -8.905 1.00 0.00 H new ATOM 0 HH TYR A 72 1.288 13.152 -8.511 1.00 0.00 H new ATOM 928 N ASP A 73 -1.568 19.670 -13.983 1.00 0.00 N ATOM 929 CA ASP A 73 -1.909 20.949 -14.649 1.00 0.00 C ATOM 930 C ASP A 73 -2.727 20.656 -15.899 1.00 0.00 C ATOM 931 O ASP A 73 -2.331 21.016 -17.014 1.00 0.00 O ATOM 932 CB ASP A 73 -0.600 21.695 -15.013 1.00 0.00 C ATOM 933 CG ASP A 73 0.285 20.894 -15.998 1.00 0.00 C ATOM 934 OD1 ASP A 73 -0.214 19.993 -16.667 1.00 0.00 O ATOM 935 OD2 ASP A 73 1.458 21.201 -16.070 1.00 0.00 O ATOM 0 H ASP A 73 -0.697 19.248 -14.306 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.499 21.579 -13.983 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.847 22.661 -15.454 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.035 21.896 -14.103 1.00 0.00 H new ATOM 940 N VAL A 74 -3.862 20.001 -15.723 1.00 0.00 N ATOM 941 CA VAL A 74 -4.710 19.639 -16.867 1.00 0.00 C ATOM 942 C VAL A 74 -4.992 20.864 -17.745 1.00 0.00 C ATOM 943 O VAL A 74 -4.870 20.799 -18.969 1.00 0.00 O ATOM 944 CB VAL A 74 -6.049 19.020 -16.366 1.00 0.00 C ATOM 945 CG1 VAL A 74 -6.924 18.541 -17.579 1.00 0.00 C ATOM 946 CG2 VAL A 74 -5.752 17.823 -15.410 1.00 0.00 C ATOM 0 H VAL A 74 -4.222 19.708 -14.815 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.179 18.901 -17.468 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.606 19.783 -15.822 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.855 18.112 -17.209 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.147 19.391 -18.224 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.378 17.788 -18.147 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -6.691 17.393 -15.062 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.181 17.063 -15.944 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -5.175 18.175 -14.555 1.00 0.00 H new ATOM 956 N ASP A 75 -5.366 21.972 -17.104 1.00 0.00 N ATOM 957 CA ASP A 75 -5.660 23.207 -17.825 1.00 0.00 C ATOM 958 C ASP A 75 -4.367 23.837 -18.321 1.00 0.00 C ATOM 959 O ASP A 75 -4.403 24.743 -19.145 1.00 0.00 O ATOM 960 CB ASP A 75 -6.410 24.170 -16.880 1.00 0.00 C ATOM 961 CG ASP A 75 -7.747 23.553 -16.446 1.00 0.00 C ATOM 962 OD1 ASP A 75 -8.425 23.003 -17.298 1.00 0.00 O ATOM 963 OD2 ASP A 75 -8.074 23.648 -15.272 1.00 0.00 O ATOM 0 H ASP A 75 -5.472 22.038 -16.092 1.00 0.00 H new ATOM 0 HA ASP A 75 -6.287 22.994 -18.691 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.797 24.382 -16.004 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.586 25.121 -17.383 1.00 0.00 H new ATOM 968 N GLY A 76 -3.224 23.356 -17.803 1.00 0.00 N ATOM 969 CA GLY A 76 -1.919 23.892 -18.194 1.00 0.00 C ATOM 970 C GLY A 76 -1.736 25.288 -17.630 1.00 0.00 C ATOM 971 O GLY A 76 -0.919 26.055 -18.129 1.00 0.00 O ATOM 0 H GLY A 76 -3.182 22.602 -17.117 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.126 23.238 -17.831 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.839 23.918 -19.281 1.00 0.00 H new ATOM 975 N ASP A 77 -2.517 25.627 -16.577 1.00 0.00 N ATOM 976 CA ASP A 77 -2.425 26.971 -15.969 1.00 0.00 C ATOM 977 C ASP A 77 -1.245 27.046 -15.048 1.00 0.00 C ATOM 978 O ASP A 77 -0.845 28.146 -14.683 1.00 0.00 O ATOM 979 CB ASP A 77 -3.716 27.270 -15.182 1.00 0.00 C ATOM 980 CG ASP A 77 -4.922 27.194 -16.118 1.00 0.00 C ATOM 981 OD1 ASP A 77 -4.767 27.510 -17.290 1.00 0.00 O ATOM 982 OD2 ASP A 77 -5.981 26.823 -15.648 1.00 0.00 O ATOM 0 H ASP A 77 -3.199 25.006 -16.142 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.300 27.709 -16.761 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.830 26.555 -14.368 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.656 28.260 -14.730 1.00 0.00 H new ATOM 987 N ARG A 78 -0.697 25.873 -14.685 1.00 0.00 N ATOM 988 CA ARG A 78 0.481 25.772 -13.799 1.00 0.00 C ATOM 989 C ARG A 78 0.101 25.926 -12.325 1.00 0.00 C ATOM 990 O ARG A 78 0.965 25.888 -11.452 1.00 0.00 O ATOM 991 CB ARG A 78 1.547 26.855 -14.192 1.00 0.00 C ATOM 992 CG ARG A 78 2.976 26.450 -13.781 1.00 0.00 C ATOM 993 CD ARG A 78 3.952 27.602 -14.110 1.00 0.00 C ATOM 994 NE ARG A 78 3.921 27.850 -15.560 1.00 0.00 N ATOM 995 CZ ARG A 78 4.500 27.017 -16.436 1.00 0.00 C ATOM 996 NH1 ARG A 78 5.096 25.934 -16.018 1.00 0.00 N ATOM 997 NH2 ARG A 78 4.456 27.284 -17.713 1.00 0.00 N ATOM 0 H ARG A 78 -1.055 24.970 -14.995 1.00 0.00 H new ATOM 0 HA ARG A 78 0.906 24.777 -13.930 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.514 27.019 -15.269 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.290 27.802 -13.718 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.009 26.224 -12.715 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.275 25.544 -14.308 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.669 28.503 -13.567 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.962 27.343 -13.793 1.00 0.00 H new ATOM 0 HE ARG A 78 3.444 28.681 -15.909 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.122 25.719 -15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.535 25.303 -16.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.982 28.125 -18.042 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.896 26.652 -18.382 1.00 0.00 H new ATOM 1011 N VAL A 79 -1.183 26.111 -12.058 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.682 26.302 -10.684 1.00 0.00 C ATOM 1013 C VAL A 79 -3.033 25.643 -10.554 1.00 0.00 C ATOM 1014 O VAL A 79 -3.850 25.701 -11.473 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.804 27.831 -10.372 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -0.388 28.494 -10.306 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -2.675 28.550 -11.459 1.00 0.00 C ATOM 0 H VAL A 79 -1.911 26.135 -12.772 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.986 25.852 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.291 27.939 -9.403 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.494 29.557 -10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.200 28.019 -9.520 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.118 28.368 -11.263 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.747 29.612 -11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.211 28.426 -12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.673 28.113 -11.473 1.00 0.00 H new ATOM 1027 N LEU A 80 -3.260 25.005 -9.413 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.508 24.327 -9.122 1.00 0.00 C ATOM 1029 C LEU A 80 -4.845 24.521 -7.642 1.00 0.00 C ATOM 1030 O LEU A 80 -3.995 24.333 -6.778 1.00 0.00 O ATOM 1031 CB LEU A 80 -4.352 22.832 -9.434 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.946 22.258 -8.928 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -3.126 20.875 -8.257 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.935 22.167 -10.118 1.00 0.00 C ATOM 0 H LEU A 80 -2.575 24.945 -8.660 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.312 24.738 -9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.162 22.276 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.442 22.674 -10.509 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.543 22.944 -8.183 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.157 20.505 -7.921 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.795 20.970 -7.401 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.553 20.175 -8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.984 21.775 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.334 21.503 -10.885 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.781 23.159 -10.542 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.100 24.872 -7.371 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.593 25.073 -6.010 1.00 0.00 C ATOM 1048 C ASP A 81 -7.277 23.811 -5.532 1.00 0.00 C ATOM 1049 O ASP A 81 -7.167 22.750 -6.158 1.00 0.00 O ATOM 1050 CB ASP A 81 -7.579 26.262 -6.006 1.00 0.00 C ATOM 1051 CG ASP A 81 -6.880 27.496 -6.587 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -5.800 27.806 -6.120 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -7.426 28.097 -7.502 1.00 0.00 O ATOM 0 H ASP A 81 -6.806 25.026 -8.091 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.765 25.295 -5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.463 26.019 -6.595 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.918 26.466 -4.990 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.981 23.934 -4.407 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.716 22.823 -3.788 1.00 0.00 C ATOM 1060 C ALA A 82 -9.581 22.080 -4.805 1.00 0.00 C ATOM 1061 O ALA A 82 -10.050 20.964 -4.558 1.00 0.00 O ATOM 1062 CB ALA A 82 -9.615 23.342 -2.641 1.00 0.00 C ATOM 0 H ALA A 82 -8.060 24.812 -3.893 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.975 22.129 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.152 22.506 -2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.997 23.823 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.330 24.063 -3.037 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.807 22.734 -5.954 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.662 22.145 -6.983 1.00 0.00 C ATOM 1070 C GLU A 83 -10.077 20.853 -7.564 1.00 0.00 C ATOM 1071 O GLU A 83 -10.668 19.782 -7.431 1.00 0.00 O ATOM 1072 CB GLU A 83 -10.835 23.180 -8.130 1.00 0.00 C ATOM 1073 CG GLU A 83 -11.920 22.711 -9.152 1.00 0.00 C ATOM 1074 CD GLU A 83 -12.134 23.730 -10.269 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -11.718 24.868 -10.111 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -12.715 23.350 -11.269 1.00 0.00 O ATOM 0 H GLU A 83 -9.419 23.648 -6.187 1.00 0.00 H new ATOM 0 HA GLU A 83 -11.617 21.893 -6.522 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.118 24.146 -7.712 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.884 23.321 -8.644 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.621 21.756 -9.585 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.862 22.543 -8.629 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.902 20.954 -8.168 1.00 0.00 N ATOM 1084 CA GLU A 84 -8.199 19.795 -8.767 1.00 0.00 C ATOM 1085 C GLU A 84 -7.359 19.083 -7.722 1.00 0.00 C ATOM 1086 O GLU A 84 -6.987 17.920 -7.894 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.327 20.245 -9.948 1.00 0.00 C ATOM 1088 CG GLU A 84 -8.202 20.861 -11.072 1.00 0.00 C ATOM 1089 CD GLU A 84 -7.319 21.339 -12.231 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -6.342 22.009 -11.952 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -7.634 21.039 -13.367 1.00 0.00 O ATOM 0 H GLU A 84 -8.397 21.835 -8.264 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.946 19.095 -9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.595 20.977 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.769 19.394 -10.339 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.918 20.122 -11.432 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.779 21.697 -10.676 1.00 0.00 H new ATOM 1098 N GLN A 85 -7.017 19.816 -6.663 1.00 0.00 N ATOM 1099 CA GLN A 85 -6.167 19.262 -5.604 1.00 0.00 C ATOM 1100 C GLN A 85 -6.838 18.063 -4.953 1.00 0.00 C ATOM 1101 O GLN A 85 -6.174 17.107 -4.574 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.864 20.323 -4.534 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.705 19.868 -3.604 1.00 0.00 C ATOM 1104 CD GLN A 85 -4.479 20.889 -2.496 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -4.255 20.520 -1.342 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -4.534 22.155 -2.780 1.00 0.00 N ATOM 0 H GLN A 85 -7.309 20.782 -6.514 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.230 18.944 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.599 21.264 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.759 20.510 -3.940 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.940 18.896 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.791 19.745 -4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.720 22.455 -3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -4.391 22.849 -2.046 1.00 0.00 H new ATOM 1115 N MET A 86 -8.163 18.130 -4.813 1.00 0.00 N ATOM 1116 CA MET A 86 -8.901 17.035 -4.179 1.00 0.00 C ATOM 1117 C MET A 86 -8.651 15.741 -4.948 1.00 0.00 C ATOM 1118 O MET A 86 -8.410 14.686 -4.355 1.00 0.00 O ATOM 1119 CB MET A 86 -10.412 17.358 -4.154 1.00 0.00 C ATOM 1120 CG MET A 86 -11.199 16.249 -3.410 1.00 0.00 C ATOM 1121 SD MET A 86 -12.953 16.692 -3.331 1.00 0.00 S ATOM 1122 CE MET A 86 -13.506 15.875 -4.847 1.00 0.00 C ATOM 0 H MET A 86 -8.738 18.913 -5.123 1.00 0.00 H new ATOM 0 HA MET A 86 -8.555 16.914 -3.152 1.00 0.00 H new ATOM 0 HB2 MET A 86 -10.575 18.318 -3.664 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.785 17.453 -5.174 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.078 15.296 -3.925 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.801 16.120 -2.403 1.00 0.00 H new ATOM 0 HE1 MET A 86 -14.576 16.035 -4.977 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.971 16.291 -5.701 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.304 14.806 -4.778 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.731 15.832 -6.278 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.541 14.669 -7.126 1.00 0.00 C ATOM 1134 C LYS A 87 -7.157 14.081 -6.911 1.00 0.00 C ATOM 1135 O LYS A 87 -6.987 12.861 -6.900 1.00 0.00 O ATOM 1136 CB LYS A 87 -8.701 15.071 -8.610 1.00 0.00 C ATOM 1137 CG LYS A 87 -8.622 13.815 -9.528 1.00 0.00 C ATOM 1138 CD LYS A 87 -8.816 14.197 -11.008 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.740 12.933 -11.889 1.00 0.00 C ATOM 1140 NZ LYS A 87 -8.939 13.328 -13.293 1.00 0.00 N ATOM 0 H LYS A 87 -8.925 16.697 -6.782 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.291 13.922 -6.866 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.656 15.575 -8.755 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.921 15.780 -8.887 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.656 13.326 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.385 13.096 -9.232 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.780 14.688 -11.143 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.050 14.910 -11.312 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.774 12.444 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.502 12.214 -11.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.891 12.486 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.871 13.778 -13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.196 14.000 -13.573 1.00 0.00 H new ATOM 1154 N MET A 88 -6.173 14.967 -6.755 1.00 0.00 N ATOM 1155 CA MET A 88 -4.795 14.533 -6.558 1.00 0.00 C ATOM 1156 C MET A 88 -4.689 13.648 -5.309 1.00 0.00 C ATOM 1157 O MET A 88 -4.333 12.479 -5.404 1.00 0.00 O ATOM 1158 CB MET A 88 -3.864 15.760 -6.383 1.00 0.00 C ATOM 1159 CG MET A 88 -2.369 15.324 -6.400 1.00 0.00 C ATOM 1160 SD MET A 88 -1.302 16.715 -5.948 1.00 0.00 S ATOM 1161 CE MET A 88 -1.233 16.395 -4.159 1.00 0.00 C ATOM 0 H MET A 88 -6.305 15.978 -6.761 1.00 0.00 H new ATOM 0 HA MET A 88 -4.489 13.965 -7.436 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.047 16.479 -7.182 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.090 16.263 -5.443 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.216 14.499 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.101 14.959 -7.391 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.091 17.335 -3.626 1.00 0.00 H new ATOM 0 HE2 MET A 88 -2.165 15.932 -3.836 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.401 15.726 -3.941 1.00 0.00 H new ATOM 1171 N ALA A 89 -5.010 14.223 -4.138 1.00 0.00 N ATOM 1172 CA ALA A 89 -4.938 13.484 -2.876 1.00 0.00 C ATOM 1173 C ALA A 89 -5.667 12.142 -2.976 1.00 0.00 C ATOM 1174 O ALA A 89 -5.123 11.104 -2.617 1.00 0.00 O ATOM 1175 CB ALA A 89 -5.558 14.330 -1.744 1.00 0.00 C ATOM 0 H ALA A 89 -5.319 15.190 -4.044 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.889 13.285 -2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.503 13.778 -0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.009 15.266 -1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.601 14.544 -1.979 1.00 0.00 H new ATOM 1181 N HIS A 90 -6.894 12.177 -3.490 1.00 0.00 N ATOM 1182 CA HIS A 90 -7.705 10.955 -3.638 1.00 0.00 C ATOM 1183 C HIS A 90 -6.952 9.885 -4.427 1.00 0.00 C ATOM 1184 O HIS A 90 -7.014 8.691 -4.113 1.00 0.00 O ATOM 1185 CB HIS A 90 -9.033 11.311 -4.357 1.00 0.00 C ATOM 1186 CG HIS A 90 -9.888 12.184 -3.472 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -9.393 12.792 -2.330 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -11.214 12.522 -3.534 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -10.408 13.456 -1.754 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -11.542 13.325 -2.447 1.00 0.00 N ATOM 0 H HIS A 90 -7.353 13.029 -3.811 1.00 0.00 H new ATOM 0 HA HIS A 90 -7.916 10.552 -2.648 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.821 11.827 -5.293 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -9.573 10.399 -4.611 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.900 12.212 -4.309 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -10.318 14.027 -0.841 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -12.453 13.727 -2.226 1.00 0.00 H new ATOM 1198 N ASP A 91 -6.238 10.326 -5.458 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.471 9.405 -6.303 1.00 0.00 C ATOM 1200 C ASP A 91 -4.301 8.813 -5.527 1.00 0.00 C ATOM 1201 O ASP A 91 -4.008 7.623 -5.625 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.964 10.132 -7.569 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.285 9.129 -8.523 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -4.980 8.254 -9.007 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -3.085 9.238 -8.724 1.00 0.00 O ATOM 0 H ASP A 91 -6.172 11.307 -5.731 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.128 8.591 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.797 10.620 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.258 10.914 -7.290 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.628 9.664 -4.756 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.465 9.238 -3.957 1.00 0.00 C ATOM 1212 C LEU A 92 -2.883 8.339 -2.823 1.00 0.00 C ATOM 1213 O LEU A 92 -2.098 7.508 -2.369 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.686 10.485 -3.421 1.00 0.00 C ATOM 1215 CG LEU A 92 -0.592 10.955 -4.449 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -1.233 11.365 -5.810 1.00 0.00 C ATOM 1217 CD2 LEU A 92 0.226 12.128 -3.847 1.00 0.00 C ATOM 0 H LEU A 92 -3.862 10.652 -4.663 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.800 8.666 -4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.385 11.300 -3.231 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.214 10.241 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 92 0.080 10.120 -4.645 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.451 11.685 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.763 10.512 -6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.933 12.185 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.982 12.449 -4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.441 12.961 -3.625 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.713 11.799 -2.929 1.00 0.00 H new ATOM 1229 N GLU A 93 -4.110 8.508 -2.364 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.623 7.695 -1.264 1.00 0.00 C ATOM 1231 C GLU A 93 -4.840 6.266 -1.726 1.00 0.00 C ATOM 1232 O GLU A 93 -4.506 5.322 -1.006 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.948 8.310 -0.755 1.00 0.00 C ATOM 1234 CG GLU A 93 -5.682 9.558 0.140 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.993 10.239 0.551 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -8.052 9.715 0.233 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.912 11.281 1.172 1.00 0.00 O ATOM 0 H GLU A 93 -4.770 9.195 -2.729 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.898 7.681 -0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.570 8.594 -1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -6.504 7.564 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.131 9.258 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.055 10.268 -0.399 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.404 6.107 -2.929 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.670 4.776 -3.476 1.00 0.00 C ATOM 1246 C GLY A 94 -4.377 4.055 -3.790 1.00 0.00 C ATOM 1247 O GLY A 94 -4.250 2.862 -3.546 1.00 0.00 O ATOM 0 H GLY A 94 -5.682 6.878 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.252 4.194 -2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.272 4.863 -4.381 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.404 4.803 -4.328 1.00 0.00 N ATOM 1252 CA GLN A 95 -2.092 4.231 -4.677 1.00 0.00 C ATOM 1253 C GLN A 95 -1.414 3.692 -3.442 1.00 0.00 C ATOM 1254 O GLN A 95 -0.838 2.617 -3.473 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.195 5.313 -5.333 1.00 0.00 C ATOM 1256 CG GLN A 95 -1.665 5.586 -6.784 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.876 6.738 -7.389 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -1.324 7.953 -7.251 1.00 0.00 O flip ATOM 1259 NE2 GLN A 95 0.176 6.525 -7.989 1.00 0.00 N flip ATOM 0 H GLN A 95 -3.497 5.798 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.245 3.416 -5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.236 6.233 -4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.156 4.983 -5.335 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.534 4.690 -7.390 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -2.729 5.823 -6.790 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.520 5.570 -8.093 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.705 7.303 -8.383 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.491 4.438 -2.346 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.857 4.005 -1.113 1.00 0.00 C ATOM 1270 C LYS A 96 -1.443 2.673 -0.639 1.00 0.00 C ATOM 1271 O LYS A 96 -0.703 1.744 -0.330 1.00 0.00 O ATOM 1272 CB LYS A 96 -1.060 5.085 -0.032 1.00 0.00 C ATOM 1273 CG LYS A 96 -0.245 4.740 1.245 1.00 0.00 C ATOM 1274 CD LYS A 96 -0.388 5.845 2.311 1.00 0.00 C ATOM 1275 CE LYS A 96 0.436 5.480 3.563 1.00 0.00 C ATOM 1276 NZ LYS A 96 0.297 6.564 4.550 1.00 0.00 N ATOM 0 H LYS A 96 -1.979 5.332 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 96 0.208 3.861 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -0.749 6.056 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.118 5.165 0.216 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -0.589 3.790 1.654 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.806 4.614 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.047 6.798 1.907 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -1.437 5.969 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 96 0.086 4.538 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 96 1.484 5.341 3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.848 6.332 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.650 7.453 4.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.705 6.674 4.806 1.00 0.00 H new ATOM 1290 N SER A 97 -2.775 2.601 -0.583 1.00 0.00 N ATOM 1291 CA SER A 97 -3.457 1.384 -0.129 1.00 0.00 C ATOM 1292 C SER A 97 -3.278 0.264 -1.144 1.00 0.00 C ATOM 1293 O SER A 97 -2.979 -0.879 -0.785 1.00 0.00 O ATOM 1294 CB SER A 97 -4.958 1.669 0.052 1.00 0.00 C ATOM 1295 OG SER A 97 -5.521 2.006 -1.207 1.00 0.00 O ATOM 0 H SER A 97 -3.400 3.364 -0.844 1.00 0.00 H new ATOM 0 HA SER A 97 -3.022 1.075 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.460 0.795 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.103 2.485 0.760 1.00 0.00 H new ATOM 0 HG SER A 97 -6.478 2.187 -1.099 1.00 0.00 H new ATOM 1301 N ASP A 98 -3.454 0.607 -2.427 1.00 0.00 N ATOM 1302 CA ASP A 98 -3.323 -0.367 -3.508 1.00 0.00 C ATOM 1303 C ASP A 98 -1.912 -0.906 -3.558 1.00 0.00 C ATOM 1304 O ASP A 98 -1.694 -2.083 -3.819 1.00 0.00 O ATOM 1305 CB ASP A 98 -3.685 0.281 -4.867 1.00 0.00 C ATOM 1306 CG ASP A 98 -3.640 -0.769 -5.995 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.283 -1.791 -5.835 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -2.958 -0.540 -6.986 1.00 0.00 O ATOM 0 H ASP A 98 -3.687 1.551 -2.737 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.012 -1.189 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.680 0.722 -4.813 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.989 1.090 -5.088 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.947 -0.026 -3.311 1.00 0.00 N ATOM 1314 CA LEU A 99 0.458 -0.423 -3.349 1.00 0.00 C ATOM 1315 C LEU A 99 0.755 -1.441 -2.251 1.00 0.00 C ATOM 1316 O LEU A 99 1.446 -2.431 -2.482 1.00 0.00 O ATOM 1317 CB LEU A 99 1.377 0.811 -3.195 1.00 0.00 C ATOM 1318 CG LEU A 99 2.899 0.420 -3.297 1.00 0.00 C ATOM 1319 CD1 LEU A 99 3.253 -0.169 -4.711 1.00 0.00 C ATOM 1320 CD2 LEU A 99 3.786 1.647 -2.963 1.00 0.00 C ATOM 0 H LEU A 99 -1.108 0.956 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 99 0.656 -0.884 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.137 1.542 -3.967 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.187 1.288 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 99 3.099 -0.364 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.312 -0.427 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.656 -1.063 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.037 0.574 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 99 4.837 1.367 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.575 2.451 -3.668 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.571 1.987 -1.950 1.00 0.00 H new ATOM 1332 N ASN A 100 0.248 -1.163 -1.044 1.00 0.00 N ATOM 1333 CA ASN A 100 0.485 -2.030 0.109 1.00 0.00 C ATOM 1334 C ASN A 100 0.084 -3.459 -0.231 1.00 0.00 C ATOM 1335 O ASN A 100 0.754 -4.412 0.165 1.00 0.00 O ATOM 1336 CB ASN A 100 -0.328 -1.518 1.318 1.00 0.00 C ATOM 1337 CG ASN A 100 0.036 -0.070 1.637 1.00 0.00 C ATOM 1338 OD1 ASN A 100 -0.814 0.693 2.093 1.00 0.00 O ATOM 1339 ND2 ASN A 100 1.250 0.363 1.412 1.00 0.00 N ATOM 0 H ASN A 100 -0.328 -0.345 -0.844 1.00 0.00 H new ATOM 0 HA ASN A 100 1.545 -2.015 0.364 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.394 -1.592 1.103 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -0.133 -2.147 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 100 1.491 1.333 1.615 1.00 0.00 H new ATOM 0 HD22 ASN A 100 1.955 -0.270 1.034 1.00 0.00 H new ATOM 1346 N ASN A 101 -1.014 -3.585 -0.990 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.506 -4.905 -1.411 1.00 0.00 C ATOM 1348 C ASN A 101 -0.540 -5.540 -2.404 1.00 0.00 C ATOM 1349 O ASN A 101 -0.124 -6.686 -2.226 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.900 -4.761 -2.053 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.893 -4.244 -1.013 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -4.378 -3.040 -1.122 1.00 0.00 O flip ATOM 1353 ND2 ASN A 101 -4.220 -4.957 -0.064 1.00 0.00 N flip ATOM 0 H ASN A 101 -1.573 -2.799 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.578 -5.549 -0.535 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.853 -4.074 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.233 -5.723 -2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.840 -5.900 0.020 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.871 -4.605 0.638 1.00 0.00 H new ATOM 1360 N GLN A 102 -0.195 -4.790 -3.465 1.00 0.00 N ATOM 1361 CA GLN A 102 0.717 -5.297 -4.507 1.00 0.00 C ATOM 1362 C GLN A 102 1.962 -5.901 -3.865 1.00 0.00 C ATOM 1363 O GLN A 102 2.455 -6.938 -4.303 1.00 0.00 O ATOM 1364 CB GLN A 102 1.111 -4.141 -5.455 1.00 0.00 C ATOM 1365 CG GLN A 102 -0.099 -3.704 -6.324 1.00 0.00 C ATOM 1366 CD GLN A 102 0.256 -2.496 -7.192 1.00 0.00 C ATOM 1367 OE1 GLN A 102 1.394 -2.022 -7.185 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -0.661 -1.971 -7.938 1.00 0.00 N ATOM 0 H GLN A 102 -0.530 -3.840 -3.624 1.00 0.00 H new ATOM 0 HA GLN A 102 0.212 -6.074 -5.081 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.471 -3.293 -4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.932 -4.456 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.413 -4.532 -6.959 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -0.943 -3.458 -5.680 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.602 -2.365 -7.943 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.443 -1.163 -8.522 1.00 0.00 H new ATOM 1377 N LEU A 103 2.454 -5.232 -2.819 1.00 0.00 N ATOM 1378 CA LEU A 103 3.648 -5.684 -2.086 1.00 0.00 C ATOM 1379 C LEU A 103 3.248 -6.452 -0.865 1.00 0.00 C ATOM 1380 O LEU A 103 4.107 -6.925 -0.131 1.00 0.00 O ATOM 1381 CB LEU A 103 4.499 -4.458 -1.681 1.00 0.00 C ATOM 1382 CG LEU A 103 4.839 -3.583 -2.941 1.00 0.00 C ATOM 1383 CD1 LEU A 103 5.648 -2.334 -2.508 1.00 0.00 C ATOM 1384 CD2 LEU A 103 5.628 -4.410 -4.031 1.00 0.00 C ATOM 0 H LEU A 103 2.044 -4.371 -2.456 1.00 0.00 H new ATOM 0 HA LEU A 103 4.236 -6.337 -2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.958 -3.858 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.420 -4.790 -1.202 1.00 0.00 H new ATOM 0 HG LEU A 103 3.902 -3.263 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.882 -1.730 -3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.058 -1.743 -1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.574 -2.649 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.845 -3.770 -4.887 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.563 -4.775 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.022 -5.256 -4.355 1.00 0.00 H new