USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 480 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 Single : A 1 MET CE :methyl -157:sc= -0.116 (180deg=-0.8) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.111 K(o=0.11,f=-1.5!) USER MOD Single : A 4 CYS SG : rot -13:sc= -1.36 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot -158:sc= 0.818 USER MOD Single : A 13 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.4!) USER MOD Single : A 14 ASN : amide:sc= -0.246 X(o=-0.25,f=0.00076) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0737 K(o=-0.074,f=-1.6) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 73:sc= 0.194 USER MOD Single : A 42 ASN : amide:sc= -0.397 K(o=-0.4,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.063) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.131 K(o=-0.13,f=-0.95) USER MOD Single : A 54 LYS NZ :NH3+ -107:sc= 0.171 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -0.349 K(o=-0.35,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.893 13.346 4.564 1.00 0.00 N ATOM 2 CA MET A 1 -0.461 13.113 5.131 1.00 0.00 C ATOM 3 C MET A 1 -1.067 11.819 4.597 1.00 0.00 C ATOM 4 O MET A 1 -0.925 11.496 3.418 1.00 0.00 O ATOM 5 CB MET A 1 -1.353 14.302 4.769 1.00 0.00 C ATOM 6 CG MET A 1 -1.236 15.467 5.739 1.00 0.00 C ATOM 7 SD MET A 1 -2.147 16.923 5.187 1.00 0.00 S ATOM 8 CE MET A 1 -1.238 17.349 3.704 1.00 0.00 C ATOM 0 H1 MET A 1 1.281 14.233 4.945 1.00 0.00 H new ATOM 0 H2 MET A 1 1.518 12.556 4.822 1.00 0.00 H new ATOM 0 H3 MET A 1 0.829 13.413 3.528 1.00 0.00 H new ATOM 0 HA MET A 1 -0.383 13.017 6.214 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.096 14.647 3.767 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.391 13.970 4.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.607 15.160 6.717 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.185 15.727 5.864 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.389 18.404 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.176 17.160 3.861 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.595 16.743 2.872 1.00 0.00 H new ATOM 20 N ARG A 2 -1.744 11.083 5.472 1.00 0.00 N ATOM 21 CA ARG A 2 -2.373 9.824 5.087 1.00 0.00 C ATOM 22 C ARG A 2 -1.333 8.833 4.572 1.00 0.00 C ATOM 23 O ARG A 2 -1.048 8.785 3.375 1.00 0.00 O ATOM 24 CB ARG A 2 -3.439 10.069 4.017 1.00 0.00 C ATOM 25 CG ARG A 2 -4.855 10.118 4.569 1.00 0.00 C ATOM 26 CD ARG A 2 -5.887 9.844 3.487 1.00 0.00 C ATOM 27 NE ARG A 2 -6.927 8.924 3.942 1.00 0.00 N ATOM 28 CZ ARG A 2 -8.091 8.755 3.320 1.00 0.00 C ATOM 29 NH1 ARG A 2 -8.368 9.441 2.217 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.982 7.898 3.801 1.00 0.00 N ATOM 0 H ARG A 2 -1.871 11.336 6.452 1.00 0.00 H new ATOM 0 HA ARG A 2 -2.848 9.397 5.970 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.223 11.009 3.509 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.377 9.280 3.267 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -4.960 9.384 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.041 11.097 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.345 10.783 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.391 9.426 2.611 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.750 8.379 4.786 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.687 10.101 1.843 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.262 9.307 1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.775 7.368 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -9.874 7.769 3.324 1.00 0.00 H new ATOM 44 N GLN A 3 -0.771 8.045 5.482 1.00 0.00 N ATOM 45 CA GLN A 3 0.237 7.056 5.118 1.00 0.00 C ATOM 46 C GLN A 3 0.145 5.826 6.015 1.00 0.00 C ATOM 47 O GLN A 3 -0.204 5.926 7.191 1.00 0.00 O ATOM 48 CB GLN A 3 1.638 7.665 5.211 1.00 0.00 C ATOM 49 CG GLN A 3 1.928 8.693 4.130 1.00 0.00 C ATOM 50 CD GLN A 3 3.091 9.599 4.484 1.00 0.00 C ATOM 51 OE1 GLN A 3 3.359 9.855 5.658 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.789 10.091 3.467 1.00 0.00 N ATOM 0 H GLN A 3 -0.996 8.072 6.476 1.00 0.00 H new ATOM 0 HA GLN A 3 0.049 6.747 4.090 1.00 0.00 H new ATOM 0 HB2 GLN A 3 1.757 8.134 6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.377 6.866 5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.145 8.179 3.194 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.038 9.299 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 3 3.532 9.853 2.509 1.00 0.00 H new ATOM 0 HE22 GLN A 3 4.582 10.707 3.644 1.00 0.00 H new ATOM 61 N CYS A 4 0.462 4.665 5.450 1.00 0.00 N ATOM 62 CA CYS A 4 0.418 3.412 6.194 1.00 0.00 C ATOM 63 C CYS A 4 1.485 2.448 5.685 1.00 0.00 C ATOM 64 O CYS A 4 1.846 2.475 4.508 1.00 0.00 O ATOM 65 CB CYS A 4 -0.965 2.770 6.073 1.00 0.00 C ATOM 66 SG CYS A 4 -2.333 3.886 6.464 1.00 0.00 S ATOM 0 H CYS A 4 0.753 4.567 4.477 1.00 0.00 H new ATOM 0 HA CYS A 4 0.616 3.631 7.243 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.093 2.397 5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.013 1.907 6.737 1.00 0.00 H new ATOM 0 HG CYS A 4 -1.870 4.952 7.047 1.00 0.00 H new ATOM 72 N LYS A 5 1.987 1.596 6.573 1.00 0.00 N ATOM 73 CA LYS A 5 3.013 0.630 6.199 1.00 0.00 C ATOM 74 C LYS A 5 2.511 -0.803 6.367 1.00 0.00 C ATOM 75 O LYS A 5 2.043 -1.189 7.434 1.00 0.00 O ATOM 76 CB LYS A 5 4.271 0.846 7.046 1.00 0.00 C ATOM 77 CG LYS A 5 5.353 -0.200 6.820 1.00 0.00 C ATOM 78 CD LYS A 5 5.245 -1.338 7.822 1.00 0.00 C ATOM 79 CE LYS A 5 5.941 -1.000 9.131 1.00 0.00 C ATOM 80 NZ LYS A 5 5.117 -1.378 10.312 1.00 0.00 N ATOM 0 H LYS A 5 1.702 1.555 7.551 1.00 0.00 H new ATOM 0 HA LYS A 5 3.254 0.784 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.681 1.832 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.992 0.845 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.272 -0.596 5.808 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.335 0.267 6.902 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.194 -1.556 8.014 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.685 -2.240 7.398 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.899 -1.517 9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.154 0.069 9.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.627 -1.131 11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.213 -0.865 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.935 -2.402 10.295 1.00 0.00 H new ATOM 94 N VAL A 6 2.627 -1.580 5.298 1.00 0.00 N ATOM 95 CA VAL A 6 2.203 -2.977 5.290 1.00 0.00 C ATOM 96 C VAL A 6 2.990 -3.801 6.304 1.00 0.00 C ATOM 97 O VAL A 6 4.182 -3.578 6.509 1.00 0.00 O ATOM 98 CB VAL A 6 2.383 -3.614 3.894 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.551 -4.881 3.775 1.00 0.00 C ATOM 100 CG2 VAL A 6 2.027 -2.628 2.788 1.00 0.00 C ATOM 0 H VAL A 6 3.017 -1.261 4.411 1.00 0.00 H new ATOM 0 HA VAL A 6 1.146 -2.982 5.557 1.00 0.00 H new ATOM 0 HB VAL A 6 3.434 -3.879 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.690 -5.316 2.785 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.867 -5.597 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.498 -4.640 3.921 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.164 -3.105 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.988 -2.319 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.675 -1.754 2.857 1.00 0.00 H new ATOM 110 N LEU A 7 2.314 -4.758 6.930 1.00 0.00 N ATOM 111 CA LEU A 7 2.951 -5.622 7.919 1.00 0.00 C ATOM 112 C LEU A 7 3.397 -6.943 7.292 1.00 0.00 C ATOM 113 O LEU A 7 4.272 -7.626 7.824 1.00 0.00 O ATOM 114 CB LEU A 7 2.001 -5.892 9.091 1.00 0.00 C ATOM 115 CG LEU A 7 0.608 -6.405 8.709 1.00 0.00 C ATOM 116 CD1 LEU A 7 0.626 -7.911 8.509 1.00 0.00 C ATOM 117 CD2 LEU A 7 -0.409 -6.023 9.775 1.00 0.00 C ATOM 0 H LEU A 7 1.326 -4.956 6.771 1.00 0.00 H new ATOM 0 HA LEU A 7 3.834 -5.104 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.468 -6.621 9.754 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.885 -4.970 9.662 1.00 0.00 H new ATOM 0 HG LEU A 7 0.318 -5.938 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.373 -8.254 8.239 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.325 -8.164 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.939 -8.397 9.433 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.393 -6.395 9.489 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.119 -6.463 10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.445 -4.938 9.871 1.00 0.00 H new ATOM 129 N PHE A 8 2.789 -7.299 6.162 1.00 0.00 N ATOM 130 CA PHE A 8 3.126 -8.539 5.470 1.00 0.00 C ATOM 131 C PHE A 8 3.659 -8.256 4.069 1.00 0.00 C ATOM 132 O PHE A 8 3.739 -7.103 3.645 1.00 0.00 O ATOM 133 CB PHE A 8 1.899 -9.452 5.385 1.00 0.00 C ATOM 134 CG PHE A 8 2.184 -10.877 5.764 1.00 0.00 C ATOM 135 CD1 PHE A 8 2.321 -11.240 7.095 1.00 0.00 C ATOM 136 CD2 PHE A 8 2.314 -11.854 4.790 1.00 0.00 C ATOM 137 CE1 PHE A 8 2.583 -12.550 7.446 1.00 0.00 C ATOM 138 CE2 PHE A 8 2.576 -13.166 5.136 1.00 0.00 C ATOM 139 CZ PHE A 8 2.711 -13.515 6.465 1.00 0.00 C ATOM 0 H PHE A 8 2.062 -6.747 5.708 1.00 0.00 H new ATOM 0 HA PHE A 8 3.907 -9.041 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 8 1.119 -9.060 6.037 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.507 -9.426 4.368 1.00 0.00 H new ATOM 0 HD1 PHE A 8 2.222 -10.490 7.866 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.209 -11.587 3.749 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.688 -12.820 8.486 1.00 0.00 H new ATOM 0 HE2 PHE A 8 2.675 -13.918 4.367 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.916 -14.540 6.737 1.00 0.00 H new ATOM 149 N GLU A 9 4.019 -9.317 3.353 1.00 0.00 N ATOM 150 CA GLU A 9 4.540 -9.185 1.998 1.00 0.00 C ATOM 151 C GLU A 9 3.519 -9.677 0.976 1.00 0.00 C ATOM 152 O GLU A 9 2.717 -10.565 1.266 1.00 0.00 O ATOM 153 CB GLU A 9 5.849 -9.967 1.854 1.00 0.00 C ATOM 154 CG GLU A 9 7.000 -9.131 1.318 1.00 0.00 C ATOM 155 CD GLU A 9 8.053 -9.968 0.618 1.00 0.00 C ATOM 156 OE1 GLU A 9 8.583 -10.905 1.251 1.00 0.00 O ATOM 157 OE2 GLU A 9 8.347 -9.685 -0.562 1.00 0.00 O ATOM 0 H GLU A 9 3.959 -10.278 3.690 1.00 0.00 H new ATOM 0 HA GLU A 9 4.736 -8.130 1.808 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.128 -10.374 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.685 -10.814 1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.611 -8.388 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.462 -8.586 2.141 1.00 0.00 H new ATOM 164 N TYR A 10 3.553 -9.095 -0.218 1.00 0.00 N ATOM 165 CA TYR A 10 2.627 -9.476 -1.279 1.00 0.00 C ATOM 166 C TYR A 10 3.363 -9.684 -2.599 1.00 0.00 C ATOM 167 O TYR A 10 4.324 -8.978 -2.904 1.00 0.00 O ATOM 168 CB TYR A 10 1.547 -8.406 -1.448 1.00 0.00 C ATOM 169 CG TYR A 10 0.521 -8.743 -2.507 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.239 -9.902 -2.421 1.00 0.00 C ATOM 171 CD2 TYR A 10 0.313 -7.901 -3.593 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.177 -10.214 -3.387 1.00 0.00 C ATOM 173 CE2 TYR A 10 -0.623 -8.206 -4.563 1.00 0.00 C ATOM 174 CZ TYR A 10 -1.365 -9.363 -4.455 1.00 0.00 C ATOM 175 OH TYR A 10 -2.298 -9.670 -5.419 1.00 0.00 O ATOM 0 H TYR A 10 4.210 -8.359 -0.475 1.00 0.00 H new ATOM 0 HA TYR A 10 2.157 -10.418 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.039 -8.261 -0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.022 -7.459 -1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.095 -10.571 -1.585 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.892 -6.994 -3.680 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.760 -11.120 -3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.772 -7.542 -5.401 1.00 0.00 H new ATOM 0 HH TYR A 10 -2.077 -9.200 -6.250 1.00 0.00 H new ATOM 185 N ILE A 11 2.902 -10.658 -3.378 1.00 0.00 N ATOM 186 CA ILE A 11 3.513 -10.960 -4.667 1.00 0.00 C ATOM 187 C ILE A 11 2.525 -10.723 -5.809 1.00 0.00 C ATOM 188 O ILE A 11 1.588 -11.498 -5.997 1.00 0.00 O ATOM 189 CB ILE A 11 4.004 -12.419 -4.727 1.00 0.00 C ATOM 190 CG1 ILE A 11 4.817 -12.759 -3.476 1.00 0.00 C ATOM 191 CG2 ILE A 11 4.833 -12.648 -5.982 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.008 -11.851 -3.263 1.00 0.00 C ATOM 0 H ILE A 11 2.107 -11.251 -3.139 1.00 0.00 H new ATOM 0 HA ILE A 11 4.367 -10.291 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 11 3.136 -13.077 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.166 -12.702 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.165 -13.790 -3.548 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.173 -13.683 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.225 -12.442 -6.863 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.697 -11.983 -5.974 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.537 -12.151 -2.358 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.680 -11.926 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 11 5.666 -10.821 -3.159 1.00 0.00 H new ATOM 204 N PRO A 12 2.719 -9.644 -6.590 1.00 0.00 N ATOM 205 CA PRO A 12 1.835 -9.316 -7.712 1.00 0.00 C ATOM 206 C PRO A 12 2.043 -10.241 -8.906 1.00 0.00 C ATOM 207 O PRO A 12 3.116 -10.821 -9.074 1.00 0.00 O ATOM 208 CB PRO A 12 2.237 -7.885 -8.069 1.00 0.00 C ATOM 209 CG PRO A 12 3.663 -7.782 -7.654 1.00 0.00 C ATOM 210 CD PRO A 12 3.809 -8.659 -6.440 1.00 0.00 C ATOM 0 HA PRO A 12 0.783 -9.427 -7.449 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.120 -7.695 -9.136 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.618 -7.157 -7.545 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.326 -8.111 -8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.928 -6.750 -7.424 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.785 -9.143 -6.410 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.708 -8.087 -5.518 1.00 0.00 H new ATOM 218 N GLN A 13 1.012 -10.371 -9.733 1.00 0.00 N ATOM 219 CA GLN A 13 1.081 -11.224 -10.914 1.00 0.00 C ATOM 220 C GLN A 13 1.157 -10.384 -12.185 1.00 0.00 C ATOM 221 O GLN A 13 1.764 -10.792 -13.176 1.00 0.00 O ATOM 222 CB GLN A 13 -0.135 -12.151 -10.973 1.00 0.00 C ATOM 223 CG GLN A 13 0.151 -13.487 -11.638 1.00 0.00 C ATOM 224 CD GLN A 13 -1.080 -14.091 -12.285 1.00 0.00 C ATOM 225 OE1 GLN A 13 -1.946 -13.375 -12.787 1.00 0.00 O ATOM 226 NE2 GLN A 13 -1.163 -15.416 -12.276 1.00 0.00 N ATOM 0 H GLN A 13 0.118 -9.896 -9.608 1.00 0.00 H new ATOM 0 HA GLN A 13 1.985 -11.829 -10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.496 -12.329 -9.960 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.938 -11.650 -11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.926 -13.354 -12.393 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.545 -14.181 -10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.421 -15.971 -11.848 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.968 -15.879 -12.697 1.00 0.00 H new ATOM 235 N ASN A 14 0.537 -9.209 -12.149 1.00 0.00 N ATOM 236 CA ASN A 14 0.534 -8.309 -13.297 1.00 0.00 C ATOM 237 C ASN A 14 1.208 -6.986 -12.950 1.00 0.00 C ATOM 238 O ASN A 14 1.463 -6.695 -11.781 1.00 0.00 O ATOM 239 CB ASN A 14 -0.899 -8.059 -13.771 1.00 0.00 C ATOM 240 CG ASN A 14 -1.014 -8.054 -15.283 1.00 0.00 C ATOM 241 OD1 ASN A 14 -1.246 -9.093 -15.903 1.00 0.00 O ATOM 242 ND2 ASN A 14 -0.851 -6.882 -15.885 1.00 0.00 N ATOM 0 H ASN A 14 0.030 -8.858 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 14 1.097 -8.782 -14.102 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.554 -8.828 -13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -1.247 -7.103 -13.379 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.916 -6.817 -16.901 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -0.660 -6.047 -15.332 1.00 0.00 H new ATOM 249 N GLU A 15 1.495 -6.187 -13.973 1.00 0.00 N ATOM 250 CA GLU A 15 2.140 -4.894 -13.775 1.00 0.00 C ATOM 251 C GLU A 15 1.219 -3.933 -13.029 1.00 0.00 C ATOM 252 O GLU A 15 1.681 -3.062 -12.292 1.00 0.00 O ATOM 253 CB GLU A 15 2.546 -4.293 -15.124 1.00 0.00 C ATOM 254 CG GLU A 15 4.047 -4.111 -15.281 1.00 0.00 C ATOM 255 CD GLU A 15 4.578 -2.932 -14.489 1.00 0.00 C ATOM 256 OE1 GLU A 15 4.470 -2.956 -13.245 1.00 0.00 O ATOM 257 OE2 GLU A 15 5.101 -1.986 -15.113 1.00 0.00 O ATOM 0 H GLU A 15 1.291 -6.412 -14.947 1.00 0.00 H new ATOM 0 HA GLU A 15 3.034 -5.049 -13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.181 -4.937 -15.924 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.057 -3.327 -15.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.555 -5.019 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.284 -3.972 -16.336 1.00 0.00 H new ATOM 264 N ASP A 16 -0.085 -4.099 -13.225 1.00 0.00 N ATOM 265 CA ASP A 16 -1.071 -3.246 -12.571 1.00 0.00 C ATOM 266 C ASP A 16 -1.020 -3.410 -11.054 1.00 0.00 C ATOM 267 O ASP A 16 -1.426 -2.516 -10.311 1.00 0.00 O ATOM 268 CB ASP A 16 -2.476 -3.571 -13.081 1.00 0.00 C ATOM 269 CG ASP A 16 -2.776 -2.907 -14.411 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.464 -1.707 -14.559 1.00 0.00 O ATOM 271 OD2 ASP A 16 -3.323 -3.587 -15.304 1.00 0.00 O ATOM 0 H ASP A 16 -0.483 -4.816 -13.831 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.832 -2.211 -12.813 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.581 -4.651 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.211 -3.249 -12.343 1.00 0.00 H new ATOM 276 N GLU A 17 -0.522 -4.556 -10.600 1.00 0.00 N ATOM 277 CA GLU A 17 -0.423 -4.832 -9.171 1.00 0.00 C ATOM 278 C GLU A 17 0.990 -4.568 -8.660 1.00 0.00 C ATOM 279 O GLU A 17 1.971 -4.974 -9.282 1.00 0.00 O ATOM 280 CB GLU A 17 -0.819 -6.281 -8.884 1.00 0.00 C ATOM 281 CG GLU A 17 -2.138 -6.689 -9.520 1.00 0.00 C ATOM 282 CD GLU A 17 -2.847 -7.780 -8.742 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.161 -8.542 -8.029 1.00 0.00 O ATOM 284 OE2 GLU A 17 -4.088 -7.872 -8.846 1.00 0.00 O ATOM 0 H GLU A 17 -0.181 -5.307 -11.200 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.108 -4.164 -8.649 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.031 -6.942 -9.245 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.886 -6.424 -7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.788 -5.817 -9.591 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.955 -7.034 -10.538 1.00 0.00 H new ATOM 291 N LEU A 18 1.083 -3.888 -7.523 1.00 0.00 N ATOM 292 CA LEU A 18 2.375 -3.570 -6.925 1.00 0.00 C ATOM 293 C LEU A 18 2.725 -4.570 -5.827 1.00 0.00 C ATOM 294 O LEU A 18 1.842 -5.183 -5.228 1.00 0.00 O ATOM 295 CB LEU A 18 2.361 -2.147 -6.358 1.00 0.00 C ATOM 296 CG LEU A 18 3.478 -1.235 -6.867 1.00 0.00 C ATOM 297 CD1 LEU A 18 4.835 -1.747 -6.411 1.00 0.00 C ATOM 298 CD2 LEU A 18 3.427 -1.126 -8.384 1.00 0.00 C ATOM 0 H LEU A 18 0.279 -3.546 -6.996 1.00 0.00 H new ATOM 0 HA LEU A 18 3.136 -3.634 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.401 -1.687 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.427 -2.205 -5.272 1.00 0.00 H new ATOM 0 HG LEU A 18 3.330 -0.240 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.617 -1.085 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.868 -1.771 -5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.994 -2.752 -6.801 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.229 -0.473 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.550 -2.116 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.466 -0.711 -8.687 1.00 0.00 H new ATOM 310 N GLU A 19 4.019 -4.730 -5.569 1.00 0.00 N ATOM 311 CA GLU A 19 4.483 -5.657 -4.544 1.00 0.00 C ATOM 312 C GLU A 19 4.654 -4.948 -3.204 1.00 0.00 C ATOM 313 O GLU A 19 5.585 -4.164 -3.019 1.00 0.00 O ATOM 314 CB GLU A 19 5.806 -6.299 -4.966 1.00 0.00 C ATOM 315 CG GLU A 19 6.292 -7.376 -4.010 1.00 0.00 C ATOM 316 CD GLU A 19 7.785 -7.302 -3.758 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.225 -6.356 -3.072 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.514 -8.191 -4.246 1.00 0.00 O ATOM 0 H GLU A 19 4.764 -4.230 -6.055 1.00 0.00 H new ATOM 0 HA GLU A 19 3.729 -6.436 -4.429 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.689 -6.732 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.568 -5.523 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.762 -7.281 -3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.044 -8.356 -4.417 1.00 0.00 H new ATOM 325 N LEU A 20 3.749 -5.230 -2.273 1.00 0.00 N ATOM 326 CA LEU A 20 3.799 -4.620 -0.949 1.00 0.00 C ATOM 327 C LEU A 20 5.000 -5.132 -0.160 1.00 0.00 C ATOM 328 O LEU A 20 5.012 -6.273 0.300 1.00 0.00 O ATOM 329 CB LEU A 20 2.509 -4.913 -0.181 1.00 0.00 C ATOM 330 CG LEU A 20 1.267 -4.184 -0.697 1.00 0.00 C ATOM 331 CD1 LEU A 20 1.520 -2.687 -0.772 1.00 0.00 C ATOM 332 CD2 LEU A 20 0.859 -4.727 -2.058 1.00 0.00 C ATOM 0 H LEU A 20 2.972 -5.877 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 20 3.902 -3.542 -1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.321 -5.986 -0.213 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.659 -4.647 0.865 1.00 0.00 H new ATOM 0 HG LEU A 20 0.449 -4.358 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.626 -2.185 -1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.765 -2.309 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.351 -2.492 -1.450 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.026 -4.198 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.674 -4.583 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.636 -5.791 -1.973 1.00 0.00 H new ATOM 344 N LYS A 21 6.007 -4.279 -0.007 1.00 0.00 N ATOM 345 CA LYS A 21 7.212 -4.645 0.728 1.00 0.00 C ATOM 346 C LYS A 21 7.008 -4.463 2.229 1.00 0.00 C ATOM 347 O LYS A 21 6.646 -3.380 2.689 1.00 0.00 O ATOM 348 CB LYS A 21 8.399 -3.803 0.256 1.00 0.00 C ATOM 349 CG LYS A 21 9.744 -4.322 0.740 1.00 0.00 C ATOM 350 CD LYS A 21 10.577 -3.216 1.370 1.00 0.00 C ATOM 351 CE LYS A 21 12.050 -3.589 1.425 1.00 0.00 C ATOM 352 NZ LYS A 21 12.671 -3.207 2.724 1.00 0.00 N ATOM 0 H LYS A 21 6.013 -3.330 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 21 7.422 -5.696 0.532 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.402 -3.772 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.268 -2.778 0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.587 -5.119 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 21 10.289 -4.757 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.455 -2.296 0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.214 -3.015 2.378 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.159 -4.663 1.272 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.580 -3.096 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.675 -3.478 2.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.590 -2.179 2.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.182 -3.697 3.500 1.00 0.00 H new ATOM 366 N VAL A 22 7.242 -5.530 2.987 1.00 0.00 N ATOM 367 CA VAL A 22 7.084 -5.488 4.436 1.00 0.00 C ATOM 368 C VAL A 22 7.967 -4.408 5.054 1.00 0.00 C ATOM 369 O VAL A 22 9.168 -4.348 4.787 1.00 0.00 O ATOM 370 CB VAL A 22 7.423 -6.849 5.077 1.00 0.00 C ATOM 371 CG1 VAL A 22 8.871 -7.226 4.803 1.00 0.00 C ATOM 372 CG2 VAL A 22 7.142 -6.823 6.573 1.00 0.00 C ATOM 0 H VAL A 22 7.542 -6.434 2.622 1.00 0.00 H new ATOM 0 HA VAL A 22 6.038 -5.253 4.635 1.00 0.00 H new ATOM 0 HB VAL A 22 6.785 -7.609 4.626 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.090 -8.189 5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.032 -7.294 3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.530 -6.466 5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.388 -7.793 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.750 -6.050 7.044 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.087 -6.607 6.741 1.00 0.00 H new ATOM 382 N GLY A 23 7.366 -3.557 5.879 1.00 0.00 N ATOM 383 CA GLY A 23 8.117 -2.492 6.517 1.00 0.00 C ATOM 384 C GLY A 23 8.152 -1.219 5.691 1.00 0.00 C ATOM 385 O GLY A 23 8.665 -0.195 6.143 1.00 0.00 O ATOM 0 H GLY A 23 6.375 -3.586 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.676 -2.276 7.490 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.137 -2.831 6.697 1.00 0.00 H new ATOM 389 N ASP A 24 7.612 -1.279 4.475 1.00 0.00 N ATOM 390 CA ASP A 24 7.595 -0.119 3.591 1.00 0.00 C ATOM 391 C ASP A 24 6.275 0.639 3.703 1.00 0.00 C ATOM 392 O ASP A 24 5.200 0.040 3.687 1.00 0.00 O ATOM 393 CB ASP A 24 7.824 -0.553 2.143 1.00 0.00 C ATOM 394 CG ASP A 24 8.678 0.434 1.371 1.00 0.00 C ATOM 395 OD1 ASP A 24 8.127 1.448 0.892 1.00 0.00 O ATOM 396 OD2 ASP A 24 9.897 0.194 1.246 1.00 0.00 O ATOM 0 H ASP A 24 7.182 -2.116 4.082 1.00 0.00 H new ATOM 0 HA ASP A 24 8.401 0.548 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.304 -1.531 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.862 -0.665 1.644 1.00 0.00 H new ATOM 401 N ILE A 25 6.367 1.961 3.813 1.00 0.00 N ATOM 402 CA ILE A 25 5.183 2.803 3.923 1.00 0.00 C ATOM 403 C ILE A 25 4.794 3.379 2.565 1.00 0.00 C ATOM 404 O ILE A 25 5.602 4.028 1.901 1.00 0.00 O ATOM 405 CB ILE A 25 5.405 3.959 4.920 1.00 0.00 C ATOM 406 CG1 ILE A 25 4.111 4.753 5.115 1.00 0.00 C ATOM 407 CG2 ILE A 25 6.526 4.871 4.442 1.00 0.00 C ATOM 408 CD1 ILE A 25 3.844 5.129 6.557 1.00 0.00 C ATOM 0 H ILE A 25 7.250 2.471 3.828 1.00 0.00 H new ATOM 0 HA ILE A 25 4.375 2.171 4.291 1.00 0.00 H new ATOM 0 HB ILE A 25 5.697 3.534 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.157 5.661 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.273 4.165 4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.667 5.680 5.159 1.00 0.00 H new ATOM 0 HG22 ILE A 25 7.449 4.298 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.265 5.289 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.911 5.690 6.620 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.765 4.225 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.663 5.744 6.930 1.00 0.00 H new ATOM 420 N ILE A 26 3.553 3.134 2.156 1.00 0.00 N ATOM 421 CA ILE A 26 3.060 3.626 0.876 1.00 0.00 C ATOM 422 C ILE A 26 2.007 4.711 1.069 1.00 0.00 C ATOM 423 O ILE A 26 1.129 4.593 1.924 1.00 0.00 O ATOM 424 CB ILE A 26 2.457 2.487 0.031 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.404 1.284 0.001 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.163 2.975 -1.380 1.00 0.00 C ATOM 427 CD1 ILE A 26 2.760 -0.002 0.468 1.00 0.00 C ATOM 0 H ILE A 26 2.871 2.598 2.693 1.00 0.00 H new ATOM 0 HA ILE A 26 3.917 4.046 0.350 1.00 0.00 H new ATOM 0 HB ILE A 26 1.519 2.172 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.774 1.148 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.269 1.497 0.629 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.738 2.160 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.453 3.801 -1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.087 3.314 -1.848 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.488 -0.812 0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.415 0.116 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.912 -0.238 -0.175 1.00 0.00 H new ATOM 439 N ASP A 27 2.100 5.766 0.267 1.00 0.00 N ATOM 440 CA ASP A 27 1.155 6.874 0.345 1.00 0.00 C ATOM 441 C ASP A 27 0.021 6.691 -0.660 1.00 0.00 C ATOM 442 O ASP A 27 0.254 6.619 -1.866 1.00 0.00 O ATOM 443 CB ASP A 27 1.871 8.201 0.089 1.00 0.00 C ATOM 444 CG ASP A 27 1.139 9.381 0.698 1.00 0.00 C ATOM 445 OD1 ASP A 27 -0.109 9.399 0.640 1.00 0.00 O ATOM 446 OD2 ASP A 27 1.813 10.286 1.232 1.00 0.00 O ATOM 0 H ASP A 27 2.821 5.877 -0.446 1.00 0.00 H new ATOM 0 HA ASP A 27 0.729 6.888 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.879 8.151 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.972 8.355 -0.985 1.00 0.00 H new ATOM 451 N ILE A 28 -1.205 6.614 -0.153 1.00 0.00 N ATOM 452 CA ILE A 28 -2.374 6.437 -1.007 1.00 0.00 C ATOM 453 C ILE A 28 -2.771 7.749 -1.674 1.00 0.00 C ATOM 454 O ILE A 28 -2.793 8.800 -1.033 1.00 0.00 O ATOM 455 CB ILE A 28 -3.579 5.896 -0.211 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.151 4.736 0.694 1.00 0.00 C ATOM 457 CG2 ILE A 28 -4.687 5.458 -1.158 1.00 0.00 C ATOM 458 CD1 ILE A 28 -3.632 4.876 2.122 1.00 0.00 C ATOM 0 H ILE A 28 -1.415 6.671 0.844 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.098 5.711 -1.771 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.963 6.697 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.533 3.803 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.063 4.665 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.530 5.079 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.011 6.309 -1.757 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.314 4.672 -1.815 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.293 4.020 2.706 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.229 5.792 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.721 4.917 2.137 1.00 0.00 H new ATOM 470 N ASN A 29 -3.084 7.681 -2.963 1.00 0.00 N ATOM 471 CA ASN A 29 -3.481 8.866 -3.716 1.00 0.00 C ATOM 472 C ASN A 29 -5.000 8.970 -3.802 1.00 0.00 C ATOM 473 O ASN A 29 -5.572 10.038 -3.583 1.00 0.00 O ATOM 474 CB ASN A 29 -2.880 8.827 -5.122 1.00 0.00 C ATOM 475 CG ASN A 29 -3.115 10.115 -5.886 1.00 0.00 C ATOM 476 OD1 ASN A 29 -4.233 10.400 -6.317 1.00 0.00 O ATOM 477 ND2 ASN A 29 -2.060 10.903 -6.058 1.00 0.00 N ATOM 0 H ASN A 29 -3.071 6.819 -3.508 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.103 9.744 -3.192 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.809 8.640 -5.051 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.313 7.994 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.158 11.783 -6.564 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.152 10.628 -5.684 1.00 0.00 H new ATOM 484 N GLU A 30 -5.648 7.855 -4.123 1.00 0.00 N ATOM 485 CA GLU A 30 -7.101 7.821 -4.238 1.00 0.00 C ATOM 486 C GLU A 30 -7.610 6.385 -4.308 1.00 0.00 C ATOM 487 O GLU A 30 -6.934 5.502 -4.835 1.00 0.00 O ATOM 488 CB GLU A 30 -7.553 8.595 -5.478 1.00 0.00 C ATOM 489 CG GLU A 30 -8.857 9.351 -5.281 1.00 0.00 C ATOM 490 CD GLU A 30 -8.750 10.434 -4.226 1.00 0.00 C ATOM 491 OE1 GLU A 30 -8.955 10.124 -3.034 1.00 0.00 O ATOM 492 OE2 GLU A 30 -8.461 11.593 -4.592 1.00 0.00 O ATOM 0 H GLU A 30 -5.189 6.963 -4.308 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.521 8.292 -3.349 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.772 9.301 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.668 7.899 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.159 9.800 -6.227 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.640 8.648 -4.997 1.00 0.00 H new ATOM 499 N GLU A 31 -8.806 6.159 -3.774 1.00 0.00 N ATOM 500 CA GLU A 31 -9.406 4.831 -3.778 1.00 0.00 C ATOM 501 C GLU A 31 -9.973 4.498 -5.155 1.00 0.00 C ATOM 502 O GLU A 31 -10.370 5.390 -5.905 1.00 0.00 O ATOM 503 CB GLU A 31 -10.509 4.743 -2.719 1.00 0.00 C ATOM 504 CG GLU A 31 -10.140 3.875 -1.527 1.00 0.00 C ATOM 505 CD GLU A 31 -9.239 4.592 -0.541 1.00 0.00 C ATOM 506 OE1 GLU A 31 -8.088 4.907 -0.909 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.684 4.839 0.599 1.00 0.00 O ATOM 0 H GLU A 31 -9.378 6.879 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.629 4.105 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.745 5.747 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.413 4.347 -3.180 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.050 3.558 -1.018 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.641 2.973 -1.880 1.00 0.00 H new ATOM 514 N VAL A 32 -10.007 3.210 -5.482 1.00 0.00 N ATOM 515 CA VAL A 32 -10.524 2.764 -6.770 1.00 0.00 C ATOM 516 C VAL A 32 -11.758 1.886 -6.595 1.00 0.00 C ATOM 517 O VAL A 32 -12.828 2.190 -7.123 1.00 0.00 O ATOM 518 CB VAL A 32 -9.460 1.980 -7.562 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.946 1.697 -8.975 1.00 0.00 C ATOM 520 CG2 VAL A 32 -8.144 2.742 -7.585 1.00 0.00 C ATOM 0 H VAL A 32 -9.683 2.458 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.795 3.660 -7.327 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.292 1.025 -7.063 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.181 1.143 -9.519 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.861 1.107 -8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.144 2.639 -9.487 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.404 2.174 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.294 3.712 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.790 2.887 -6.564 1.00 0.00 H new ATOM 530 N GLU A 33 -11.604 0.795 -5.852 1.00 0.00 N ATOM 531 CA GLU A 33 -12.707 -0.127 -5.610 1.00 0.00 C ATOM 532 C GLU A 33 -12.644 -0.695 -4.197 1.00 0.00 C ATOM 533 O GLU A 33 -11.624 -0.583 -3.516 1.00 0.00 O ATOM 534 CB GLU A 33 -12.679 -1.266 -6.632 1.00 0.00 C ATOM 535 CG GLU A 33 -13.574 -1.025 -7.835 1.00 0.00 C ATOM 536 CD GLU A 33 -12.812 -1.044 -9.146 1.00 0.00 C ATOM 537 OE1 GLU A 33 -12.535 -2.150 -9.655 1.00 0.00 O ATOM 538 OE2 GLU A 33 -12.491 0.047 -9.662 1.00 0.00 O ATOM 0 H GLU A 33 -10.726 0.528 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.640 0.427 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.654 -1.410 -6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.984 -2.190 -6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -14.353 -1.787 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.073 -0.063 -7.724 1.00 0.00 H new ATOM 545 N GLU A 34 -13.740 -1.309 -3.762 1.00 0.00 N ATOM 546 CA GLU A 34 -13.808 -1.899 -2.431 1.00 0.00 C ATOM 547 C GLU A 34 -12.752 -2.986 -2.270 1.00 0.00 C ATOM 548 O GLU A 34 -12.801 -4.017 -2.941 1.00 0.00 O ATOM 549 CB GLU A 34 -15.200 -2.480 -2.176 1.00 0.00 C ATOM 550 CG GLU A 34 -15.601 -3.557 -3.171 1.00 0.00 C ATOM 551 CD GLU A 34 -17.067 -3.930 -3.067 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.896 -3.263 -3.719 1.00 0.00 O ATOM 553 OE2 GLU A 34 -17.385 -4.889 -2.332 1.00 0.00 O ATOM 0 H GLU A 34 -14.593 -1.411 -4.312 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.614 -1.114 -1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.232 -2.897 -1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.933 -1.674 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -15.389 -3.209 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.991 -4.445 -3.005 1.00 0.00 H new ATOM 560 N GLY A 35 -11.794 -2.748 -1.381 1.00 0.00 N ATOM 561 CA GLY A 35 -10.737 -3.714 -1.155 1.00 0.00 C ATOM 562 C GLY A 35 -9.490 -3.407 -1.961 1.00 0.00 C ATOM 563 O GLY A 35 -8.398 -3.865 -1.626 1.00 0.00 O ATOM 0 H GLY A 35 -11.731 -1.903 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.485 -3.732 -0.095 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.097 -4.710 -1.414 1.00 0.00 H new ATOM 567 N TRP A 36 -9.651 -2.628 -3.027 1.00 0.00 N ATOM 568 CA TRP A 36 -8.529 -2.258 -3.882 1.00 0.00 C ATOM 569 C TRP A 36 -8.138 -0.800 -3.662 1.00 0.00 C ATOM 570 O TRP A 36 -8.870 0.114 -4.043 1.00 0.00 O ATOM 571 CB TRP A 36 -8.885 -2.487 -5.352 1.00 0.00 C ATOM 572 CG TRP A 36 -9.406 -3.864 -5.632 1.00 0.00 C ATOM 573 CD1 TRP A 36 -10.700 -4.212 -5.895 1.00 0.00 C ATOM 574 CD2 TRP A 36 -8.647 -5.079 -5.676 1.00 0.00 C ATOM 575 NE1 TRP A 36 -10.792 -5.567 -6.102 1.00 0.00 N ATOM 576 CE2 TRP A 36 -9.546 -6.122 -5.972 1.00 0.00 C ATOM 577 CE3 TRP A 36 -7.295 -5.387 -5.495 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -9.136 -7.447 -6.092 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -6.890 -6.703 -5.614 1.00 0.00 C ATOM 580 CH2 TRP A 36 -7.808 -7.719 -5.910 1.00 0.00 C ATOM 0 H TRP A 36 -10.548 -2.241 -3.319 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.679 -2.888 -3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.634 -1.755 -5.655 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.000 -2.310 -5.964 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -11.530 -3.522 -5.935 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -11.649 -6.077 -6.317 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -6.580 -4.610 -5.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -9.841 -8.232 -6.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.848 -6.952 -5.476 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.460 -8.738 -5.996 1.00 0.00 H new ATOM 591 N TRP A 37 -6.981 -0.589 -3.042 1.00 0.00 N ATOM 592 CA TRP A 37 -6.494 0.758 -2.767 1.00 0.00 C ATOM 593 C TRP A 37 -5.253 1.072 -3.598 1.00 0.00 C ATOM 594 O TRP A 37 -4.596 0.170 -4.117 1.00 0.00 O ATOM 595 CB TRP A 37 -6.180 0.917 -1.279 1.00 0.00 C ATOM 596 CG TRP A 37 -7.384 1.252 -0.453 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.680 0.913 -0.717 1.00 0.00 C ATOM 598 CD2 TRP A 37 -7.405 1.995 0.771 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.505 1.399 0.268 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.746 2.067 1.193 1.00 0.00 C ATOM 601 CE3 TRP A 37 -6.420 2.606 1.553 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -9.126 2.724 2.361 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.798 3.259 2.711 1.00 0.00 C ATOM 604 CH2 TRP A 37 -8.141 3.313 3.106 1.00 0.00 C ATOM 0 H TRP A 37 -6.363 -1.334 -2.720 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.279 1.462 -3.042 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.738 -0.007 -0.907 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.432 1.700 -1.154 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -9.009 0.346 -1.575 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.518 1.282 0.305 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -5.382 2.568 1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.161 2.767 2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.045 3.736 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.404 3.830 4.017 1.00 0.00 H new ATOM 615 N SER A 38 -4.942 2.359 -3.723 1.00 0.00 N ATOM 616 CA SER A 38 -3.783 2.795 -4.494 1.00 0.00 C ATOM 617 C SER A 38 -2.692 3.341 -3.579 1.00 0.00 C ATOM 618 O SER A 38 -2.963 3.759 -2.454 1.00 0.00 O ATOM 619 CB SER A 38 -4.194 3.865 -5.506 1.00 0.00 C ATOM 620 OG SER A 38 -3.330 3.864 -6.630 1.00 0.00 O ATOM 0 H SER A 38 -5.477 3.118 -3.300 1.00 0.00 H new ATOM 0 HA SER A 38 -3.386 1.930 -5.026 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.219 3.687 -5.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.176 4.846 -5.030 1.00 0.00 H new ATOM 0 HG SER A 38 -3.615 4.556 -7.263 1.00 0.00 H new ATOM 626 N GLY A 39 -1.457 3.334 -4.071 1.00 0.00 N ATOM 627 CA GLY A 39 -0.342 3.831 -3.287 1.00 0.00 C ATOM 628 C GLY A 39 0.785 4.360 -4.152 1.00 0.00 C ATOM 629 O GLY A 39 0.832 4.093 -5.353 1.00 0.00 O ATOM 0 H GLY A 39 -1.209 2.993 -5.000 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.692 4.624 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.037 3.030 -2.652 1.00 0.00 H new ATOM 633 N THR A 40 1.695 5.113 -3.542 1.00 0.00 N ATOM 634 CA THR A 40 2.827 5.681 -4.266 1.00 0.00 C ATOM 635 C THR A 40 4.147 5.168 -3.702 1.00 0.00 C ATOM 636 O THR A 40 4.332 5.103 -2.487 1.00 0.00 O ATOM 637 CB THR A 40 2.789 7.208 -4.195 1.00 0.00 C ATOM 638 OG1 THR A 40 1.489 7.692 -4.482 1.00 0.00 O ATOM 639 CG2 THR A 40 3.749 7.876 -5.156 1.00 0.00 C ATOM 0 H THR A 40 1.671 5.344 -2.549 1.00 0.00 H new ATOM 0 HA THR A 40 2.753 5.370 -5.308 1.00 0.00 H new ATOM 0 HB THR A 40 3.087 7.456 -3.176 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.894 7.498 -3.728 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.671 8.958 -5.054 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.768 7.562 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.500 7.589 -6.178 1.00 0.00 H new ATOM 647 N LEU A 41 5.064 4.803 -4.593 1.00 0.00 N ATOM 648 CA LEU A 41 6.368 4.295 -4.182 1.00 0.00 C ATOM 649 C LEU A 41 7.454 4.720 -5.165 1.00 0.00 C ATOM 650 O LEU A 41 7.682 4.060 -6.178 1.00 0.00 O ATOM 651 CB LEU A 41 6.332 2.770 -4.072 1.00 0.00 C ATOM 652 CG LEU A 41 5.759 2.229 -2.761 1.00 0.00 C ATOM 653 CD1 LEU A 41 5.477 0.739 -2.876 1.00 0.00 C ATOM 654 CD2 LEU A 41 6.714 2.506 -1.610 1.00 0.00 C ATOM 0 H LEU A 41 4.928 4.850 -5.603 1.00 0.00 H new ATOM 0 HA LEU A 41 6.603 4.718 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.742 2.375 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.346 2.388 -4.193 1.00 0.00 H new ATOM 0 HG LEU A 41 4.818 2.740 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.070 0.372 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.756 0.566 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.403 0.210 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.291 2.115 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.670 2.021 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.866 3.581 -1.514 1.00 0.00 H new ATOM 666 N ASN A 42 8.125 5.826 -4.855 1.00 0.00 N ATOM 667 CA ASN A 42 9.193 6.342 -5.707 1.00 0.00 C ATOM 668 C ASN A 42 8.639 6.848 -7.037 1.00 0.00 C ATOM 669 O ASN A 42 9.001 6.350 -8.103 1.00 0.00 O ATOM 670 CB ASN A 42 10.249 5.262 -5.954 1.00 0.00 C ATOM 671 CG ASN A 42 10.703 4.592 -4.672 1.00 0.00 C ATOM 672 OD1 ASN A 42 9.998 3.752 -4.113 1.00 0.00 O ATOM 673 ND2 ASN A 42 11.886 4.964 -4.197 1.00 0.00 N ATOM 0 H ASN A 42 7.948 6.383 -4.019 1.00 0.00 H new ATOM 0 HA ASN A 42 9.659 7.181 -5.190 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.843 4.509 -6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.110 5.707 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.243 4.550 -3.336 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.437 5.664 -4.693 1.00 0.00 H new ATOM 680 N ASN A 43 7.762 7.844 -6.964 1.00 0.00 N ATOM 681 CA ASN A 43 7.160 8.426 -8.160 1.00 0.00 C ATOM 682 C ASN A 43 6.438 7.367 -8.991 1.00 0.00 C ATOM 683 O ASN A 43 6.281 7.519 -10.202 1.00 0.00 O ATOM 684 CB ASN A 43 8.233 9.114 -9.008 1.00 0.00 C ATOM 685 CG ASN A 43 7.880 10.553 -9.331 1.00 0.00 C ATOM 686 OD1 ASN A 43 8.735 11.438 -9.293 1.00 0.00 O ATOM 687 ND2 ASN A 43 6.614 10.794 -9.650 1.00 0.00 N ATOM 0 H ASN A 43 7.452 8.266 -6.089 1.00 0.00 H new ATOM 0 HA ASN A 43 6.424 9.164 -7.840 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.185 9.087 -8.477 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.370 8.559 -9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.317 11.743 -9.876 1.00 0.00 H new ATOM 0 HD22 ASN A 43 5.939 10.030 -9.669 1.00 0.00 H new ATOM 694 N LYS A 44 5.999 6.297 -8.335 1.00 0.00 N ATOM 695 CA LYS A 44 5.293 5.220 -9.020 1.00 0.00 C ATOM 696 C LYS A 44 3.970 4.911 -8.327 1.00 0.00 C ATOM 697 O LYS A 44 3.921 4.741 -7.109 1.00 0.00 O ATOM 698 CB LYS A 44 6.161 3.962 -9.074 1.00 0.00 C ATOM 699 CG LYS A 44 7.283 4.042 -10.097 1.00 0.00 C ATOM 700 CD LYS A 44 6.751 3.940 -11.517 1.00 0.00 C ATOM 701 CE LYS A 44 7.694 3.148 -12.410 1.00 0.00 C ATOM 702 NZ LYS A 44 7.384 1.692 -12.392 1.00 0.00 N ATOM 0 H LYS A 44 6.119 6.153 -7.332 1.00 0.00 H new ATOM 0 HA LYS A 44 5.082 5.548 -10.038 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.591 3.784 -8.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.530 3.104 -9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.821 4.982 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.999 3.240 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.771 3.462 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.613 4.940 -11.928 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.625 3.521 -13.432 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.722 3.304 -12.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.049 1.188 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.474 1.330 -11.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.412 1.540 -12.729 1.00 0.00 H new ATOM 716 N LEU A 45 2.898 4.843 -9.110 1.00 0.00 N ATOM 717 CA LEU A 45 1.574 4.557 -8.569 1.00 0.00 C ATOM 718 C LEU A 45 1.157 3.122 -8.875 1.00 0.00 C ATOM 719 O LEU A 45 1.134 2.703 -10.032 1.00 0.00 O ATOM 720 CB LEU A 45 0.544 5.532 -9.142 1.00 0.00 C ATOM 721 CG LEU A 45 0.851 7.013 -8.905 1.00 0.00 C ATOM 722 CD1 LEU A 45 1.437 7.645 -10.159 1.00 0.00 C ATOM 723 CD2 LEU A 45 -0.403 7.756 -8.468 1.00 0.00 C ATOM 0 H LEU A 45 2.920 4.982 -10.120 1.00 0.00 H new ATOM 0 HA LEU A 45 1.619 4.680 -7.487 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.462 5.361 -10.215 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.430 5.305 -8.708 1.00 0.00 H new ATOM 0 HG LEU A 45 1.589 7.087 -8.106 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.649 8.698 -9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.360 7.132 -10.428 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.722 7.559 -10.978 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.165 8.807 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.164 7.673 -9.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.780 7.321 -7.542 1.00 0.00 H new ATOM 735 N GLY A 46 0.824 2.374 -7.828 1.00 0.00 N ATOM 736 CA GLY A 46 0.408 0.995 -8.001 1.00 0.00 C ATOM 737 C GLY A 46 -0.780 0.638 -7.130 1.00 0.00 C ATOM 738 O GLY A 46 -0.887 1.102 -5.995 1.00 0.00 O ATOM 0 H GLY A 46 0.835 2.699 -6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.153 0.823 -9.047 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.241 0.334 -7.763 1.00 0.00 H new ATOM 742 N LEU A 47 -1.676 -0.187 -7.662 1.00 0.00 N ATOM 743 CA LEU A 47 -2.862 -0.601 -6.922 1.00 0.00 C ATOM 744 C LEU A 47 -2.695 -2.012 -6.367 1.00 0.00 C ATOM 745 O LEU A 47 -2.020 -2.850 -6.965 1.00 0.00 O ATOM 746 CB LEU A 47 -4.097 -0.541 -7.823 1.00 0.00 C ATOM 747 CG LEU A 47 -4.169 0.679 -8.743 1.00 0.00 C ATOM 748 CD1 LEU A 47 -3.590 0.350 -10.110 1.00 0.00 C ATOM 749 CD2 LEU A 47 -5.605 1.165 -8.873 1.00 0.00 C ATOM 0 H LEU A 47 -1.604 -0.581 -8.600 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.994 0.086 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.124 -1.442 -8.436 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.987 -0.556 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.575 1.479 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.649 1.229 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.548 0.050 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.157 -0.465 -10.559 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.637 2.033 -9.531 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.222 0.370 -9.291 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.986 1.441 -7.890 1.00 0.00 H new ATOM 761 N PHE A 48 -3.317 -2.266 -5.221 1.00 0.00 N ATOM 762 CA PHE A 48 -3.242 -3.576 -4.584 1.00 0.00 C ATOM 763 C PHE A 48 -4.291 -3.706 -3.482 1.00 0.00 C ATOM 764 O PHE A 48 -4.904 -2.718 -3.078 1.00 0.00 O ATOM 765 CB PHE A 48 -1.843 -3.816 -4.005 1.00 0.00 C ATOM 766 CG PHE A 48 -1.171 -2.573 -3.493 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.883 -1.633 -2.764 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.173 -2.345 -3.741 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.266 -0.490 -2.292 1.00 0.00 C ATOM 770 CE2 PHE A 48 0.795 -1.204 -3.272 1.00 0.00 C ATOM 771 CZ PHE A 48 0.075 -0.276 -2.546 1.00 0.00 C ATOM 0 H PHE A 48 -3.879 -1.582 -4.714 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.442 -4.330 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.917 -4.538 -3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.215 -4.265 -4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.932 -1.796 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.741 -3.068 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.831 0.235 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.843 -1.038 -3.473 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.560 0.616 -2.177 1.00 0.00 H new ATOM 781 N PRO A 49 -4.515 -4.934 -2.983 1.00 0.00 N ATOM 782 CA PRO A 49 -5.500 -5.191 -1.925 1.00 0.00 C ATOM 783 C PRO A 49 -5.225 -4.382 -0.662 1.00 0.00 C ATOM 784 O PRO A 49 -4.158 -4.493 -0.058 1.00 0.00 O ATOM 785 CB PRO A 49 -5.344 -6.690 -1.644 1.00 0.00 C ATOM 786 CG PRO A 49 -4.727 -7.249 -2.878 1.00 0.00 C ATOM 787 CD PRO A 49 -3.833 -6.167 -3.413 1.00 0.00 C ATOM 0 HA PRO A 49 -6.506 -4.904 -2.232 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.713 -6.865 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.308 -7.156 -1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.159 -8.152 -2.657 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.489 -7.523 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.826 -6.236 -3.003 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.740 -6.220 -4.498 1.00 0.00 H new ATOM 795 N SER A 50 -6.200 -3.568 -0.269 1.00 0.00 N ATOM 796 CA SER A 50 -6.078 -2.735 0.922 1.00 0.00 C ATOM 797 C SER A 50 -5.987 -3.585 2.188 1.00 0.00 C ATOM 798 O SER A 50 -5.539 -3.111 3.232 1.00 0.00 O ATOM 799 CB SER A 50 -7.268 -1.780 1.022 1.00 0.00 C ATOM 800 OG SER A 50 -8.485 -2.494 1.154 1.00 0.00 O ATOM 0 H SER A 50 -7.088 -3.468 -0.761 1.00 0.00 H new ATOM 0 HA SER A 50 -5.158 -2.158 0.833 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.136 -1.118 1.878 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.307 -1.149 0.134 1.00 0.00 H new ATOM 0 HG SER A 50 -9.230 -1.861 1.218 1.00 0.00 H new ATOM 806 N ASN A 51 -6.424 -4.838 2.095 1.00 0.00 N ATOM 807 CA ASN A 51 -6.398 -5.742 3.239 1.00 0.00 C ATOM 808 C ASN A 51 -4.971 -5.981 3.728 1.00 0.00 C ATOM 809 O ASN A 51 -4.761 -6.418 4.860 1.00 0.00 O ATOM 810 CB ASN A 51 -7.052 -7.077 2.874 1.00 0.00 C ATOM 811 CG ASN A 51 -7.941 -7.607 3.982 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.618 -6.844 4.670 1.00 0.00 O ATOM 813 ND2 ASN A 51 -7.941 -8.923 4.160 1.00 0.00 N ATOM 0 H ASN A 51 -6.800 -5.249 1.240 1.00 0.00 H new ATOM 0 HA ASN A 51 -6.960 -5.272 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.642 -6.953 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.276 -7.810 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.518 -9.339 4.891 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.364 -9.518 3.566 1.00 0.00 H new ATOM 820 N PHE A 52 -3.991 -5.689 2.877 1.00 0.00 N ATOM 821 CA PHE A 52 -2.591 -5.874 3.241 1.00 0.00 C ATOM 822 C PHE A 52 -2.100 -4.711 4.105 1.00 0.00 C ATOM 823 O PHE A 52 -2.159 -4.786 5.331 1.00 0.00 O ATOM 824 CB PHE A 52 -1.726 -6.012 1.985 1.00 0.00 C ATOM 825 CG PHE A 52 -1.800 -7.372 1.351 1.00 0.00 C ATOM 826 CD1 PHE A 52 -1.450 -8.505 2.067 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.219 -7.516 0.038 1.00 0.00 C ATOM 828 CE1 PHE A 52 -1.518 -9.757 1.486 1.00 0.00 C ATOM 829 CE2 PHE A 52 -2.289 -8.766 -0.548 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.938 -9.888 0.177 1.00 0.00 C ATOM 0 H PHE A 52 -4.140 -5.325 1.936 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.506 -6.792 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.036 -5.263 1.256 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.689 -5.796 2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.120 -8.409 3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.494 -6.642 -0.534 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.243 -10.633 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.618 -8.865 -1.572 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.992 -10.866 -0.279 1.00 0.00 H new ATOM 840 N VAL A 53 -1.616 -3.646 3.449 1.00 0.00 N ATOM 841 CA VAL A 53 -1.108 -2.438 4.120 1.00 0.00 C ATOM 842 C VAL A 53 -1.542 -2.326 5.581 1.00 0.00 C ATOM 843 O VAL A 53 -2.656 -2.707 5.941 1.00 0.00 O ATOM 844 CB VAL A 53 -1.553 -1.164 3.377 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.914 -1.097 1.999 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.070 -1.110 3.274 1.00 0.00 C ATOM 0 H VAL A 53 -1.565 -3.597 2.431 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.022 -2.532 4.099 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.219 -0.297 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.241 -0.190 1.490 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.171 -1.085 2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.214 -1.968 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.367 -0.204 2.746 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.429 -1.982 2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.503 -1.106 4.274 1.00 0.00 H new ATOM 856 N LYS A 54 -0.666 -1.776 6.419 1.00 0.00 N ATOM 857 CA LYS A 54 -0.980 -1.604 7.831 1.00 0.00 C ATOM 858 C LYS A 54 -0.814 -0.152 8.267 1.00 0.00 C ATOM 859 O LYS A 54 0.197 0.484 7.977 1.00 0.00 O ATOM 860 CB LYS A 54 -0.113 -2.515 8.703 1.00 0.00 C ATOM 861 CG LYS A 54 -0.724 -2.806 10.064 1.00 0.00 C ATOM 862 CD LYS A 54 0.342 -2.926 11.142 1.00 0.00 C ATOM 863 CE LYS A 54 0.385 -1.691 12.028 1.00 0.00 C ATOM 864 NZ LYS A 54 1.529 -0.802 11.687 1.00 0.00 N ATOM 0 H LYS A 54 0.259 -1.445 6.146 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.025 -1.884 7.964 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.054 -3.456 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.863 -2.051 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.421 -2.011 10.328 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.299 -3.731 10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.144 -3.806 11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.316 -3.074 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.548 -1.137 11.924 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.461 -1.996 13.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.256 -0.872 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.935 -1.093 10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.197 0.181 11.620 1.00 0.00 H new ATOM 878 N GLU A 55 -1.819 0.363 8.969 1.00 0.00 N ATOM 879 CA GLU A 55 -1.795 1.740 9.451 1.00 0.00 C ATOM 880 C GLU A 55 -0.825 1.892 10.619 1.00 0.00 C ATOM 881 O GLU A 55 -0.786 1.055 11.520 1.00 0.00 O ATOM 882 CB GLU A 55 -3.198 2.175 9.879 1.00 0.00 C ATOM 883 CG GLU A 55 -3.369 3.683 9.962 1.00 0.00 C ATOM 884 CD GLU A 55 -4.729 4.086 10.498 1.00 0.00 C ATOM 885 OE1 GLU A 55 -5.300 3.322 11.303 1.00 0.00 O ATOM 886 OE2 GLU A 55 -5.222 5.167 10.112 1.00 0.00 O ATOM 0 H GLU A 55 -2.662 -0.154 9.217 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.455 2.379 8.636 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.925 1.774 9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.424 1.738 10.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.592 4.098 10.604 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.230 4.116 8.971 1.00 0.00 H new ATOM 893 N LEU A 56 -0.042 2.967 10.595 1.00 0.00 N ATOM 894 CA LEU A 56 0.928 3.231 11.652 1.00 0.00 C ATOM 895 C LEU A 56 0.229 3.573 12.964 1.00 0.00 C ATOM 896 O LEU A 56 0.465 2.935 13.989 1.00 0.00 O ATOM 897 CB LEU A 56 1.859 4.375 11.244 1.00 0.00 C ATOM 898 CG LEU A 56 3.063 3.961 10.397 1.00 0.00 C ATOM 899 CD1 LEU A 56 3.894 2.916 11.126 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.605 3.433 9.046 1.00 0.00 C ATOM 0 H LEU A 56 -0.061 3.669 9.855 1.00 0.00 H new ATOM 0 HA LEU A 56 1.517 2.326 11.802 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.280 5.113 10.689 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.221 4.867 12.146 1.00 0.00 H new ATOM 0 HG LEU A 56 3.687 4.839 10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.746 2.633 10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.251 3.328 12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.281 2.036 11.323 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.474 3.143 8.455 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.960 2.566 9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.052 4.211 8.520 1.00 0.00 H new ATOM 912 N GLU A 57 -0.631 4.586 12.924 1.00 0.00 N ATOM 913 CA GLU A 57 -1.364 5.016 14.109 1.00 0.00 C ATOM 914 C GLU A 57 -0.409 5.534 15.181 1.00 0.00 C ATOM 915 O GLU A 57 0.794 5.650 14.949 1.00 0.00 O ATOM 916 CB GLU A 57 -2.201 3.861 14.666 1.00 0.00 C ATOM 917 CG GLU A 57 -3.618 4.264 15.042 1.00 0.00 C ATOM 918 CD GLU A 57 -4.538 4.351 13.840 1.00 0.00 C ATOM 919 OE1 GLU A 57 -4.291 5.207 12.965 1.00 0.00 O ATOM 920 OE2 GLU A 57 -5.505 3.564 13.774 1.00 0.00 O ATOM 0 H GLU A 57 -0.837 5.125 12.083 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.030 5.829 13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.243 3.063 13.925 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.703 3.453 15.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.021 3.542 15.752 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.595 5.229 15.548 1.00 0.00 H new ATOM 927 N LEU A 58 -0.955 5.842 16.354 1.00 0.00 N ATOM 928 CA LEU A 58 -0.155 6.349 17.465 1.00 0.00 C ATOM 929 C LEU A 58 0.506 7.676 17.104 1.00 0.00 C ATOM 930 O LEU A 58 1.244 7.768 16.124 1.00 0.00 O ATOM 931 CB LEU A 58 0.912 5.326 17.864 1.00 0.00 C ATOM 932 CG LEU A 58 0.401 4.150 18.698 1.00 0.00 C ATOM 933 CD1 LEU A 58 1.433 3.034 18.734 1.00 0.00 C ATOM 934 CD2 LEU A 58 0.056 4.607 20.107 1.00 0.00 C ATOM 0 H LEU A 58 -1.950 5.749 16.560 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.823 6.516 18.310 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.376 4.935 16.958 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.693 5.838 18.426 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.505 3.763 18.231 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.052 2.206 19.332 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.631 2.688 17.719 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.357 3.407 19.177 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.306 3.758 20.687 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.945 5.019 20.584 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.719 5.372 20.062 1.00 0.00 H new ATOM 946 N GLU A 59 0.234 8.702 17.904 1.00 0.00 N ATOM 947 CA GLU A 59 0.802 10.025 17.670 1.00 0.00 C ATOM 948 C GLU A 59 2.202 10.130 18.268 1.00 0.00 C ATOM 949 O GLU A 59 3.188 10.265 17.544 1.00 0.00 O ATOM 950 CB GLU A 59 -0.103 11.105 18.267 1.00 0.00 C ATOM 951 CG GLU A 59 0.143 12.491 17.692 1.00 0.00 C ATOM 952 CD GLU A 59 0.454 13.521 18.761 1.00 0.00 C ATOM 953 OE1 GLU A 59 -0.499 14.084 19.338 1.00 0.00 O ATOM 954 OE2 GLU A 59 1.652 13.764 19.020 1.00 0.00 O ATOM 0 H GLU A 59 -0.376 8.643 18.720 1.00 0.00 H new ATOM 0 HA GLU A 59 0.874 10.176 16.593 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.144 10.830 18.097 1.00 0.00 H new ATOM 0 HB3 GLU A 59 0.046 11.137 19.346 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.972 12.445 16.985 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.736 12.809 17.132 1.00 0.00 H new ATOM 961 N HIS A 60 2.280 10.067 19.593 1.00 0.00 N ATOM 962 CA HIS A 60 3.560 10.155 20.288 1.00 0.00 C ATOM 963 C HIS A 60 3.718 9.009 21.282 1.00 0.00 C ATOM 964 O HIS A 60 3.010 7.992 21.129 1.00 0.00 O ATOM 965 CB HIS A 60 3.680 11.497 21.013 1.00 0.00 C ATOM 966 CG HIS A 60 2.656 11.690 22.089 1.00 0.00 C ATOM 967 ND1 HIS A 60 2.711 11.044 23.306 1.00 0.00 N ATOM 968 CD2 HIS A 60 1.545 12.464 22.126 1.00 0.00 C ATOM 969 CE1 HIS A 60 1.679 11.412 24.045 1.00 0.00 C ATOM 970 NE2 HIS A 60 0.957 12.273 23.352 1.00 0.00 N ATOM 0 H HIS A 60 1.473 9.955 20.207 1.00 0.00 H new ATOM 0 HA HIS A 60 4.355 10.080 19.546 1.00 0.00 H new ATOM 0 HB2 HIS A 60 4.675 11.576 21.451 1.00 0.00 H new ATOM 0 HB3 HIS A 60 3.587 12.303 20.285 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.188 13.111 21.338 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.463 11.067 25.045 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.101 12.723 23.675 1.00 0.00 H new TER 979 HIS A 60