USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 509 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.15 K(o=-1.2,f=-3.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.385 K(o=-0.39,f=-3.2!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.274 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.03 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 148:sc= -2.01! (180deg=-3.56!) USER MOD Single : A 58 MET CE :methyl -116:sc= -1.49 (180deg=-1.52) USER MOD Single : A 59 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.987 -13.311 11.506 1.00 0.00 N ATOM 2 CA GLY A 1 -17.075 -12.939 12.392 1.00 0.00 C ATOM 3 C GLY A 1 -17.870 -14.139 12.869 1.00 0.00 C ATOM 4 O GLY A 1 -17.574 -14.711 13.918 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.474 -12.457 11.208 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.335 -13.949 12.006 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.371 -13.794 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.672 -12.408 13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.741 -12.248 11.875 1.00 0.00 H new ATOM 8 N SER A 2 -18.883 -14.520 12.097 1.00 0.00 N ATOM 9 CA SER A 2 -19.727 -15.656 12.450 1.00 0.00 C ATOM 10 C SER A 2 -20.016 -16.518 11.225 1.00 0.00 C ATOM 11 O SER A 2 -20.947 -16.247 10.467 1.00 0.00 O ATOM 12 CB SER A 2 -21.040 -15.170 13.067 1.00 0.00 C ATOM 13 OG SER A 2 -21.092 -15.465 14.453 1.00 0.00 O ATOM 0 H SER A 2 -19.139 -14.059 11.224 1.00 0.00 H new ATOM 0 HA SER A 2 -19.192 -16.262 13.182 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.140 -14.095 12.917 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.881 -15.643 12.559 1.00 0.00 H new ATOM 0 HG SER A 2 -21.940 -15.143 14.824 1.00 0.00 H new ATOM 19 N SER A 3 -19.211 -17.560 11.039 1.00 0.00 N ATOM 20 CA SER A 3 -19.376 -18.460 9.904 1.00 0.00 C ATOM 21 C SER A 3 -19.309 -17.694 8.587 1.00 0.00 C ATOM 22 O SER A 3 -20.054 -17.981 7.651 1.00 0.00 O ATOM 23 CB SER A 3 -20.709 -19.205 10.008 1.00 0.00 C ATOM 24 OG SER A 3 -20.539 -20.474 10.614 1.00 0.00 O ATOM 0 H SER A 3 -18.438 -17.801 11.660 1.00 0.00 H new ATOM 0 HA SER A 3 -18.561 -19.183 9.924 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.416 -18.613 10.590 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.139 -19.328 9.014 1.00 0.00 H new ATOM 0 HG SER A 3 -21.405 -20.928 10.670 1.00 0.00 H new ATOM 30 N GLY A 4 -18.410 -16.717 8.524 1.00 0.00 N ATOM 31 CA GLY A 4 -18.262 -15.922 7.318 1.00 0.00 C ATOM 32 C GLY A 4 -19.284 -14.806 7.228 1.00 0.00 C ATOM 33 O GLY A 4 -20.244 -14.895 6.464 1.00 0.00 O ATOM 0 H GLY A 4 -17.782 -16.461 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.259 -15.495 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.358 -16.569 6.446 1.00 0.00 H new ATOM 37 N SER A 5 -19.078 -13.754 8.014 1.00 0.00 N ATOM 38 CA SER A 5 -19.992 -12.618 8.024 1.00 0.00 C ATOM 39 C SER A 5 -19.222 -11.301 8.000 1.00 0.00 C ATOM 40 O SER A 5 -18.897 -10.740 9.046 1.00 0.00 O ATOM 41 CB SER A 5 -20.893 -12.673 9.260 1.00 0.00 C ATOM 42 OG SER A 5 -22.206 -13.076 8.915 1.00 0.00 O ATOM 0 H SER A 5 -18.287 -13.665 8.652 1.00 0.00 H new ATOM 0 HA SER A 5 -20.611 -12.673 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.475 -13.368 9.988 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.923 -11.693 9.736 1.00 0.00 H new ATOM 0 HG SER A 5 -22.762 -13.105 9.722 1.00 0.00 H new ATOM 48 N SER A 6 -18.934 -10.813 6.798 1.00 0.00 N ATOM 49 CA SER A 6 -18.200 -9.564 6.635 1.00 0.00 C ATOM 50 C SER A 6 -16.845 -9.637 7.331 1.00 0.00 C ATOM 51 O SER A 6 -16.613 -10.501 8.174 1.00 0.00 O ATOM 52 CB SER A 6 -19.011 -8.394 7.195 1.00 0.00 C ATOM 53 OG SER A 6 -20.238 -8.247 6.501 1.00 0.00 O ATOM 0 H SER A 6 -19.198 -11.264 5.922 1.00 0.00 H new ATOM 0 HA SER A 6 -18.034 -9.405 5.570 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.206 -8.557 8.255 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.432 -7.474 7.115 1.00 0.00 H new ATOM 0 HG SER A 6 -20.739 -7.494 6.878 1.00 0.00 H new ATOM 59 N GLY A 7 -15.950 -8.720 6.972 1.00 0.00 N ATOM 60 CA GLY A 7 -14.629 -8.697 7.571 1.00 0.00 C ATOM 61 C GLY A 7 -13.987 -7.326 7.506 1.00 0.00 C ATOM 62 O GLY A 7 -13.972 -6.591 8.494 1.00 0.00 O ATOM 0 H GLY A 7 -16.117 -7.993 6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.700 -9.013 8.612 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.990 -9.419 7.062 1.00 0.00 H new ATOM 66 N VAL A 8 -13.454 -6.978 6.338 1.00 0.00 N ATOM 67 CA VAL A 8 -12.806 -5.685 6.148 1.00 0.00 C ATOM 68 C VAL A 8 -12.102 -5.230 7.422 1.00 0.00 C ATOM 69 O VAL A 8 -12.274 -4.097 7.868 1.00 0.00 O ATOM 70 CB VAL A 8 -13.820 -4.607 5.722 1.00 0.00 C ATOM 71 CG1 VAL A 8 -14.453 -4.968 4.386 1.00 0.00 C ATOM 72 CG2 VAL A 8 -14.885 -4.424 6.793 1.00 0.00 C ATOM 0 H VAL A 8 -13.458 -7.573 5.510 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.069 -5.814 5.356 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.291 -3.662 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -15.167 -4.195 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.677 -5.044 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -14.969 -5.924 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.593 -3.659 6.475 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.413 -5.365 6.946 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -14.413 -4.117 7.726 1.00 0.00 H new ATOM 82 N GLY A 9 -11.307 -6.123 8.003 1.00 0.00 N ATOM 83 CA GLY A 9 -10.588 -5.795 9.220 1.00 0.00 C ATOM 84 C GLY A 9 -9.200 -5.252 8.945 1.00 0.00 C ATOM 85 O GLY A 9 -8.726 -4.354 9.643 1.00 0.00 O ATOM 0 H GLY A 9 -11.148 -7.068 7.653 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.157 -5.058 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.509 -6.686 9.843 1.00 0.00 H new ATOM 89 N THR A 10 -8.544 -5.797 7.925 1.00 0.00 N ATOM 90 CA THR A 10 -7.202 -5.363 7.560 1.00 0.00 C ATOM 91 C THR A 10 -7.232 -4.009 6.860 1.00 0.00 C ATOM 92 O THR A 10 -6.506 -3.089 7.237 1.00 0.00 O ATOM 93 CB THR A 10 -6.510 -6.388 6.642 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.507 -7.678 7.264 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.082 -5.963 6.335 1.00 0.00 C ATOM 0 H THR A 10 -8.921 -6.540 7.337 1.00 0.00 H new ATOM 0 HA THR A 10 -6.636 -5.276 8.487 1.00 0.00 H new ATOM 0 HB THR A 10 -7.066 -6.438 5.706 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.067 -8.325 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.614 -6.703 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.090 -4.994 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.517 -5.887 7.264 1.00 0.00 H new ATOM 103 N ILE A 11 -8.076 -3.895 5.840 1.00 0.00 N ATOM 104 CA ILE A 11 -8.201 -2.653 5.089 1.00 0.00 C ATOM 105 C ILE A 11 -8.367 -1.459 6.023 1.00 0.00 C ATOM 106 O ILE A 11 -7.642 -0.470 5.920 1.00 0.00 O ATOM 107 CB ILE A 11 -9.395 -2.700 4.117 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.321 -3.954 3.244 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.426 -1.448 3.254 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.575 -4.798 3.292 1.00 0.00 C ATOM 0 H ILE A 11 -8.683 -4.648 5.515 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.281 -2.538 4.516 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.316 -2.739 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.131 -3.658 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.473 -4.560 3.563 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.275 -1.497 2.573 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.522 -0.569 3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.503 -1.380 2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.451 -5.670 2.650 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.755 -5.124 4.316 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.424 -4.209 2.945 1.00 0.00 H new ATOM 122 N ASP A 12 -9.327 -1.560 6.936 1.00 0.00 N ATOM 123 CA ASP A 12 -9.587 -0.489 7.893 1.00 0.00 C ATOM 124 C ASP A 12 -8.283 0.071 8.450 1.00 0.00 C ATOM 125 O ASP A 12 -8.193 1.255 8.773 1.00 0.00 O ATOM 126 CB ASP A 12 -10.466 -1.000 9.035 1.00 0.00 C ATOM 127 CG ASP A 12 -10.951 0.118 9.937 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.134 0.995 10.286 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.148 0.116 10.293 1.00 0.00 O ATOM 0 H ASP A 12 -9.938 -2.371 7.034 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.111 0.312 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.325 -1.527 8.620 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.904 -1.723 9.627 1.00 0.00 H new ATOM 134 N GLN A 13 -7.275 -0.788 8.560 1.00 0.00 N ATOM 135 CA GLN A 13 -5.975 -0.378 9.079 1.00 0.00 C ATOM 136 C GLN A 13 -5.073 0.124 7.957 1.00 0.00 C ATOM 137 O GLN A 13 -4.461 1.188 8.067 1.00 0.00 O ATOM 138 CB GLN A 13 -5.302 -1.544 9.807 1.00 0.00 C ATOM 139 CG GLN A 13 -6.057 -2.006 11.044 1.00 0.00 C ATOM 140 CD GLN A 13 -5.876 -3.486 11.319 1.00 0.00 C ATOM 141 OE1 GLN A 13 -6.248 -4.330 10.504 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.301 -3.808 12.472 1.00 0.00 N ATOM 0 H GLN A 13 -7.333 -1.772 8.297 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.135 0.438 9.784 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.202 -2.383 9.118 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.294 -1.248 10.096 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -5.716 -1.435 11.908 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.118 -1.791 10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.008 -3.075 13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.152 -4.788 12.711 1.00 0.00 H new ATOM 151 N LEU A 14 -4.995 -0.647 6.878 1.00 0.00 N ATOM 152 CA LEU A 14 -4.167 -0.280 5.734 1.00 0.00 C ATOM 153 C LEU A 14 -4.496 1.130 5.253 1.00 0.00 C ATOM 154 O LEU A 14 -3.623 1.996 5.191 1.00 0.00 O ATOM 155 CB LEU A 14 -4.366 -1.279 4.593 1.00 0.00 C ATOM 156 CG LEU A 14 -3.696 -0.926 3.266 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.189 -0.816 3.441 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.038 -1.960 2.203 1.00 0.00 C ATOM 0 H LEU A 14 -5.495 -1.530 6.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.124 -0.302 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.993 -2.250 4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.436 -1.391 4.418 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.074 0.042 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.729 -0.564 2.485 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.963 -0.037 4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.793 -1.768 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.552 -1.692 1.265 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.690 -2.941 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.118 -1.988 2.057 1.00 0.00 H new ATOM 170 N VAL A 15 -5.762 1.354 4.916 1.00 0.00 N ATOM 171 CA VAL A 15 -6.208 2.660 4.444 1.00 0.00 C ATOM 172 C VAL A 15 -5.618 3.781 5.293 1.00 0.00 C ATOM 173 O VAL A 15 -5.019 4.721 4.770 1.00 0.00 O ATOM 174 CB VAL A 15 -7.744 2.769 4.464 1.00 0.00 C ATOM 175 CG1 VAL A 15 -8.177 4.226 4.390 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.349 1.967 3.322 1.00 0.00 C ATOM 0 H VAL A 15 -6.497 0.648 4.961 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.858 2.763 3.417 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.108 2.353 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.265 4.283 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.773 4.769 5.244 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.803 4.670 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.435 2.055 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.979 2.351 2.371 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.067 0.919 3.424 1.00 0.00 H new ATOM 186 N LYS A 16 -5.792 3.676 6.605 1.00 0.00 N ATOM 187 CA LYS A 16 -5.276 4.680 7.529 1.00 0.00 C ATOM 188 C LYS A 16 -3.807 4.977 7.245 1.00 0.00 C ATOM 189 O LYS A 16 -3.358 6.116 7.375 1.00 0.00 O ATOM 190 CB LYS A 16 -5.441 4.206 8.975 1.00 0.00 C ATOM 191 CG LYS A 16 -4.160 3.672 9.590 1.00 0.00 C ATOM 192 CD LYS A 16 -4.442 2.824 10.820 1.00 0.00 C ATOM 193 CE LYS A 16 -3.336 2.960 11.855 1.00 0.00 C ATOM 194 NZ LYS A 16 -2.930 1.639 12.409 1.00 0.00 N ATOM 0 H LYS A 16 -6.287 2.905 7.054 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.848 5.597 7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.807 5.035 9.581 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.202 3.427 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.622 3.077 8.852 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.511 4.505 9.862 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.393 3.124 11.260 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.542 1.779 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.472 3.445 11.401 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.674 3.605 12.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.174 1.774 13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.749 1.187 12.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.583 1.032 11.639 1.00 0.00 H new ATOM 208 N ARG A 17 -3.064 3.945 6.855 1.00 0.00 N ATOM 209 CA ARG A 17 -1.647 4.096 6.552 1.00 0.00 C ATOM 210 C ARG A 17 -1.444 4.969 5.316 1.00 0.00 C ATOM 211 O ARG A 17 -0.811 6.022 5.384 1.00 0.00 O ATOM 212 CB ARG A 17 -1.001 2.727 6.335 1.00 0.00 C ATOM 213 CG ARG A 17 -1.304 1.728 7.439 1.00 0.00 C ATOM 214 CD ARG A 17 -0.363 0.535 7.385 1.00 0.00 C ATOM 215 NE ARG A 17 -0.286 -0.160 8.667 1.00 0.00 N ATOM 216 CZ ARG A 17 0.342 -1.318 8.839 1.00 0.00 C ATOM 217 NH1 ARG A 17 0.946 -1.907 7.816 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.368 -1.889 10.036 1.00 0.00 N ATOM 0 H ARG A 17 -3.421 2.996 6.742 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.170 4.584 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.344 2.320 5.384 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.079 2.853 6.257 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.216 2.218 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.334 1.384 7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.702 -0.159 6.616 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.632 0.871 7.095 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.739 0.267 9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.929 -1.471 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.427 -2.796 7.951 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.095 -1.439 10.826 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.851 -2.778 10.167 1.00 0.00 H new ATOM 232 N VAL A 18 -1.986 4.521 4.188 1.00 0.00 N ATOM 233 CA VAL A 18 -1.866 5.261 2.936 1.00 0.00 C ATOM 234 C VAL A 18 -2.334 6.702 3.103 1.00 0.00 C ATOM 235 O VAL A 18 -2.016 7.566 2.286 1.00 0.00 O ATOM 236 CB VAL A 18 -2.681 4.595 1.812 1.00 0.00 C ATOM 237 CG1 VAL A 18 -2.012 3.306 1.359 1.00 0.00 C ATOM 238 CG2 VAL A 18 -4.107 4.333 2.270 1.00 0.00 C ATOM 0 H VAL A 18 -2.512 3.650 4.115 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.811 5.254 2.663 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.717 5.276 0.962 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.602 2.850 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.012 3.527 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.942 2.617 2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.668 3.862 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.095 3.672 3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.582 5.276 2.539 1.00 0.00 H new ATOM 248 N ILE A 19 -3.089 6.954 4.166 1.00 0.00 N ATOM 249 CA ILE A 19 -3.600 8.292 4.441 1.00 0.00 C ATOM 250 C ILE A 19 -2.569 9.130 5.190 1.00 0.00 C ATOM 251 O ILE A 19 -2.066 10.125 4.669 1.00 0.00 O ATOM 252 CB ILE A 19 -4.899 8.241 5.264 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.987 7.486 4.495 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.366 9.648 5.606 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.773 8.363 3.546 1.00 0.00 C ATOM 0 H ILE A 19 -3.361 6.250 4.852 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.810 8.754 3.476 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.701 7.709 6.194 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.526 6.675 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.673 7.028 5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.286 9.595 6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.597 10.155 6.188 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.550 10.204 4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.526 7.763 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.263 9.159 4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.098 8.800 2.811 1.00 0.00 H new ATOM 267 N GLU A 20 -2.259 8.719 6.415 1.00 0.00 N ATOM 268 CA GLU A 20 -1.286 9.432 7.237 1.00 0.00 C ATOM 269 C GLU A 20 0.105 9.367 6.612 1.00 0.00 C ATOM 270 O GLU A 20 0.972 10.184 6.917 1.00 0.00 O ATOM 271 CB GLU A 20 -1.252 8.846 8.650 1.00 0.00 C ATOM 272 CG GLU A 20 -2.593 8.306 9.118 1.00 0.00 C ATOM 273 CD GLU A 20 -2.943 8.755 10.524 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.527 9.866 10.913 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.636 7.996 11.233 1.00 0.00 O ATOM 0 H GLU A 20 -2.666 7.897 6.861 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.591 10.477 7.293 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.515 8.044 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.917 9.616 9.345 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.373 8.634 8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.575 7.217 9.082 1.00 0.00 H new ATOM 282 N GLY A 21 0.309 8.386 5.737 1.00 0.00 N ATOM 283 CA GLY A 21 1.596 8.232 5.085 1.00 0.00 C ATOM 284 C GLY A 21 2.560 7.389 5.896 1.00 0.00 C ATOM 285 O GLY A 21 3.684 7.133 5.467 1.00 0.00 O ATOM 0 H GLY A 21 -0.393 7.697 5.469 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.452 7.773 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.033 9.216 4.914 1.00 0.00 H new ATOM 289 N SER A 22 2.119 6.957 7.074 1.00 0.00 N ATOM 290 CA SER A 22 2.953 6.142 7.950 1.00 0.00 C ATOM 291 C SER A 22 3.750 5.120 7.146 1.00 0.00 C ATOM 292 O SER A 22 4.811 4.667 7.573 1.00 0.00 O ATOM 293 CB SER A 22 2.090 5.428 8.992 1.00 0.00 C ATOM 294 OG SER A 22 2.862 4.522 9.759 1.00 0.00 O ATOM 0 H SER A 22 1.190 7.158 7.443 1.00 0.00 H new ATOM 0 HA SER A 22 3.654 6.803 8.460 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.626 6.163 9.650 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.282 4.891 8.494 1.00 0.00 H new ATOM 0 HG SER A 22 2.288 4.080 10.419 1.00 0.00 H new ATOM 300 N LEU A 23 3.229 4.761 5.976 1.00 0.00 N ATOM 301 CA LEU A 23 3.890 3.791 5.110 1.00 0.00 C ATOM 302 C LEU A 23 4.536 4.482 3.914 1.00 0.00 C ATOM 303 O LEU A 23 3.989 5.440 3.368 1.00 0.00 O ATOM 304 CB LEU A 23 2.888 2.741 4.628 1.00 0.00 C ATOM 305 CG LEU A 23 2.165 3.056 3.318 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.622 1.783 2.689 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.043 4.057 3.554 1.00 0.00 C ATOM 0 H LEU A 23 2.352 5.127 5.606 1.00 0.00 H new ATOM 0 HA LEU A 23 4.672 3.298 5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.413 1.793 4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.140 2.597 5.407 1.00 0.00 H new ATOM 0 HG LEU A 23 2.882 3.501 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.111 2.027 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.445 1.099 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.920 1.309 3.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.540 4.269 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.326 3.640 4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.458 4.980 3.959 1.00 0.00 H new ATOM 319 N SER A 24 5.702 3.988 3.509 1.00 0.00 N ATOM 320 CA SER A 24 6.423 4.558 2.378 1.00 0.00 C ATOM 321 C SER A 24 5.580 4.494 1.109 1.00 0.00 C ATOM 322 O SER A 24 4.643 3.703 0.993 1.00 0.00 O ATOM 323 CB SER A 24 7.745 3.818 2.164 1.00 0.00 C ATOM 324 OG SER A 24 8.828 4.536 2.730 1.00 0.00 O ATOM 0 H SER A 24 6.167 3.194 3.948 1.00 0.00 H new ATOM 0 HA SER A 24 6.632 5.604 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.687 2.827 2.613 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.917 3.675 1.097 1.00 0.00 H new ATOM 0 HG SER A 24 9.661 4.042 2.582 1.00 0.00 H new ATOM 330 N PRO A 25 5.918 5.348 0.131 1.00 0.00 N ATOM 331 CA PRO A 25 5.207 5.408 -1.149 1.00 0.00 C ATOM 332 C PRO A 25 5.453 4.172 -2.009 1.00 0.00 C ATOM 333 O PRO A 25 4.675 3.867 -2.913 1.00 0.00 O ATOM 334 CB PRO A 25 5.791 6.653 -1.822 1.00 0.00 C ATOM 335 CG PRO A 25 7.144 6.810 -1.218 1.00 0.00 C ATOM 336 CD PRO A 25 7.024 6.319 0.198 1.00 0.00 C ATOM 0 HA PRO A 25 4.126 5.448 -1.013 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.852 6.527 -2.903 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.171 7.530 -1.638 1.00 0.00 H new ATOM 0 HG2 PRO A 25 7.887 6.234 -1.769 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.465 7.851 -1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.948 5.853 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.802 7.133 0.888 1.00 0.00 H new ATOM 344 N LYS A 26 6.539 3.464 -1.721 1.00 0.00 N ATOM 345 CA LYS A 26 6.888 2.260 -2.466 1.00 0.00 C ATOM 346 C LYS A 26 6.200 1.035 -1.872 1.00 0.00 C ATOM 347 O LYS A 26 5.903 0.074 -2.582 1.00 0.00 O ATOM 348 CB LYS A 26 8.405 2.057 -2.466 1.00 0.00 C ATOM 349 CG LYS A 26 8.888 1.081 -3.524 1.00 0.00 C ATOM 350 CD LYS A 26 8.825 1.690 -4.914 1.00 0.00 C ATOM 351 CE LYS A 26 8.842 0.619 -5.994 1.00 0.00 C ATOM 352 NZ LYS A 26 10.227 0.173 -6.311 1.00 0.00 N ATOM 0 H LYS A 26 7.194 3.703 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 26 6.545 2.386 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.892 3.020 -2.622 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.715 1.699 -1.484 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.912 0.781 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.278 0.178 -3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.920 2.289 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.670 2.364 -5.055 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.251 -0.236 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.370 1.006 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.196 -0.557 -7.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.784 0.984 -6.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.669 -0.220 -5.456 1.00 0.00 H new ATOM 366 N GLU A 27 5.948 1.077 -0.567 1.00 0.00 N ATOM 367 CA GLU A 27 5.294 -0.030 0.119 1.00 0.00 C ATOM 368 C GLU A 27 3.907 -0.289 -0.463 1.00 0.00 C ATOM 369 O GLU A 27 3.486 -1.439 -0.603 1.00 0.00 O ATOM 370 CB GLU A 27 5.182 0.264 1.617 1.00 0.00 C ATOM 371 CG GLU A 27 6.028 -0.656 2.482 1.00 0.00 C ATOM 372 CD GLU A 27 5.278 -1.901 2.916 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.333 -1.772 3.723 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.635 -3.002 2.449 1.00 0.00 O ATOM 0 H GLU A 27 6.187 1.865 0.035 1.00 0.00 H new ATOM 0 HA GLU A 27 5.903 -0.923 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.480 1.296 1.800 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.139 0.175 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.921 -0.948 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.363 -0.112 3.365 1.00 0.00 H new ATOM 381 N ARG A 28 3.204 0.786 -0.801 1.00 0.00 N ATOM 382 CA ARG A 28 1.864 0.675 -1.367 1.00 0.00 C ATOM 383 C ARG A 28 1.876 -0.181 -2.630 1.00 0.00 C ATOM 384 O ARG A 28 1.128 -1.153 -2.741 1.00 0.00 O ATOM 385 CB ARG A 28 1.307 2.064 -1.685 1.00 0.00 C ATOM 386 CG ARG A 28 0.963 2.880 -0.451 1.00 0.00 C ATOM 387 CD ARG A 28 0.682 4.333 -0.803 1.00 0.00 C ATOM 388 NE ARG A 28 1.724 5.228 -0.306 1.00 0.00 N ATOM 389 CZ ARG A 28 1.598 6.549 -0.265 1.00 0.00 C ATOM 390 NH1 ARG A 28 0.483 7.126 -0.690 1.00 0.00 N ATOM 391 NH2 ARG A 28 2.590 7.296 0.201 1.00 0.00 N ATOM 0 H ARG A 28 3.539 1.743 -0.693 1.00 0.00 H new ATOM 0 HA ARG A 28 1.223 0.193 -0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.038 2.612 -2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.413 1.956 -2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.091 2.448 0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.787 2.830 0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.603 4.435 -1.885 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.280 4.628 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 28 2.595 4.816 0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.282 6.555 -1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.390 8.141 -0.657 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.450 6.856 0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.493 8.311 0.232 1.00 0.00 H new ATOM 405 N THR A 29 2.731 0.185 -3.580 1.00 0.00 N ATOM 406 CA THR A 29 2.840 -0.548 -4.835 1.00 0.00 C ATOM 407 C THR A 29 3.189 -2.011 -4.588 1.00 0.00 C ATOM 408 O THR A 29 2.978 -2.864 -5.452 1.00 0.00 O ATOM 409 CB THR A 29 3.906 0.073 -5.758 1.00 0.00 C ATOM 410 OG1 THR A 29 3.402 1.278 -6.346 1.00 0.00 O ATOM 411 CG2 THR A 29 4.308 -0.903 -6.852 1.00 0.00 C ATOM 0 H THR A 29 3.359 0.985 -3.504 1.00 0.00 H new ATOM 0 HA THR A 29 1.867 -0.486 -5.323 1.00 0.00 H new ATOM 0 HB THR A 29 4.786 0.303 -5.158 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.086 1.668 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.061 -0.443 -7.491 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.718 -1.807 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.433 -1.160 -7.449 1.00 0.00 H new ATOM 419 N LEU A 30 3.722 -2.296 -3.405 1.00 0.00 N ATOM 420 CA LEU A 30 4.099 -3.659 -3.044 1.00 0.00 C ATOM 421 C LEU A 30 2.918 -4.407 -2.436 1.00 0.00 C ATOM 422 O LEU A 30 2.800 -5.625 -2.578 1.00 0.00 O ATOM 423 CB LEU A 30 5.269 -3.640 -2.058 1.00 0.00 C ATOM 424 CG LEU A 30 6.565 -3.009 -2.567 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.542 -2.801 -1.421 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.189 -3.875 -3.652 1.00 0.00 C ATOM 0 H LEU A 30 3.903 -1.602 -2.680 1.00 0.00 H new ATOM 0 HA LEU A 30 4.405 -4.179 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.955 -3.104 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.481 -4.666 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 30 6.329 -2.036 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.459 -2.351 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.095 -2.141 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.773 -3.762 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.111 -3.411 -4.003 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.411 -4.862 -3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.492 -3.973 -4.485 1.00 0.00 H new ATOM 438 N LEU A 31 2.042 -3.672 -1.758 1.00 0.00 N ATOM 439 CA LEU A 31 0.868 -4.266 -1.130 1.00 0.00 C ATOM 440 C LEU A 31 0.158 -5.215 -2.089 1.00 0.00 C ATOM 441 O LEU A 31 -0.382 -6.241 -1.678 1.00 0.00 O ATOM 442 CB LEU A 31 -0.097 -3.172 -0.670 1.00 0.00 C ATOM 443 CG LEU A 31 0.456 -2.177 0.353 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.517 -1.024 0.554 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.741 -2.875 1.675 1.00 0.00 C ATOM 0 H LEU A 31 2.124 -2.663 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 31 1.201 -4.837 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.428 -2.615 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.979 -3.649 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 31 1.393 -1.772 -0.030 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.108 -0.326 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.671 -0.508 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.470 -1.411 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.134 -2.153 2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.181 -3.307 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.475 -3.666 1.518 1.00 0.00 H new ATOM 457 N LYS A 32 0.164 -4.865 -3.372 1.00 0.00 N ATOM 458 CA LYS A 32 -0.475 -5.687 -4.391 1.00 0.00 C ATOM 459 C LYS A 32 0.201 -7.050 -4.498 1.00 0.00 C ATOM 460 O LYS A 32 -0.460 -8.067 -4.700 1.00 0.00 O ATOM 461 CB LYS A 32 -0.432 -4.978 -5.748 1.00 0.00 C ATOM 462 CG LYS A 32 -0.865 -3.523 -5.688 1.00 0.00 C ATOM 463 CD LYS A 32 -1.758 -3.158 -6.861 1.00 0.00 C ATOM 464 CE LYS A 32 -2.220 -1.711 -6.781 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.930 -0.966 -8.037 1.00 0.00 N ATOM 0 H LYS A 32 0.605 -4.017 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.514 -5.839 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.582 -5.031 -6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.075 -5.511 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.396 -3.339 -4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.015 -2.880 -5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.218 -3.317 -7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.626 -3.818 -6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.291 -1.682 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.726 -1.218 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.260 0.016 -7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.905 -0.971 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.422 -1.421 -8.832 1.00 0.00 H new ATOM 479 N GLU A 33 1.523 -7.061 -4.356 1.00 0.00 N ATOM 480 CA GLU A 33 2.288 -8.300 -4.435 1.00 0.00 C ATOM 481 C GLU A 33 1.939 -9.230 -3.276 1.00 0.00 C ATOM 482 O GLU A 33 2.246 -10.422 -3.309 1.00 0.00 O ATOM 483 CB GLU A 33 3.788 -8.001 -4.428 1.00 0.00 C ATOM 484 CG GLU A 33 4.215 -7.005 -5.494 1.00 0.00 C ATOM 485 CD GLU A 33 5.703 -7.064 -5.786 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.475 -6.405 -5.059 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.093 -7.770 -6.739 1.00 0.00 O ATOM 0 H GLU A 33 2.086 -6.227 -4.186 1.00 0.00 H new ATOM 0 HA GLU A 33 2.028 -8.798 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.068 -7.614 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.336 -8.932 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.660 -7.201 -6.412 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.952 -5.998 -5.171 1.00 0.00 H new ATOM 494 N ASP A 34 1.296 -8.677 -2.254 1.00 0.00 N ATOM 495 CA ASP A 34 0.903 -9.455 -1.085 1.00 0.00 C ATOM 496 C ASP A 34 -0.466 -10.095 -1.293 1.00 0.00 C ATOM 497 O ASP A 34 -1.369 -9.507 -1.888 1.00 0.00 O ATOM 498 CB ASP A 34 0.882 -8.568 0.161 1.00 0.00 C ATOM 499 CG ASP A 34 1.344 -9.304 1.403 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.568 -9.338 1.651 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.482 -9.843 2.127 1.00 0.00 O ATOM 0 H ASP A 34 1.035 -7.692 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 34 1.637 -10.249 -0.944 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.522 -7.701 -0.003 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.129 -8.193 0.319 1.00 0.00 H new ATOM 506 N PRO A 35 -0.625 -11.329 -0.792 1.00 0.00 N ATOM 507 CA PRO A 35 -1.880 -12.076 -0.910 1.00 0.00 C ATOM 508 C PRO A 35 -2.993 -11.479 -0.055 1.00 0.00 C ATOM 509 O PRO A 35 -4.169 -11.564 -0.404 1.00 0.00 O ATOM 510 CB PRO A 35 -1.510 -13.473 -0.407 1.00 0.00 C ATOM 511 CG PRO A 35 -0.350 -13.254 0.502 1.00 0.00 C ATOM 512 CD PRO A 35 0.409 -12.089 -0.069 1.00 0.00 C ATOM 0 HA PRO A 35 -2.267 -12.064 -1.929 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.343 -13.938 0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.247 -14.134 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.685 -13.042 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.279 -14.143 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.874 -11.490 0.714 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.206 -12.417 -0.736 1.00 0.00 H new ATOM 520 N ALA A 36 -2.612 -10.874 1.066 1.00 0.00 N ATOM 521 CA ALA A 36 -3.578 -10.261 1.969 1.00 0.00 C ATOM 522 C ALA A 36 -4.321 -9.119 1.285 1.00 0.00 C ATOM 523 O ALA A 36 -5.436 -8.771 1.672 1.00 0.00 O ATOM 524 CB ALA A 36 -2.882 -9.762 3.227 1.00 0.00 C ATOM 0 H ALA A 36 -1.641 -10.796 1.370 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.309 -11.020 2.248 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.616 -9.307 3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.403 -10.599 3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.129 -9.022 2.957 1.00 0.00 H new ATOM 530 N TYR A 37 -3.695 -8.537 0.267 1.00 0.00 N ATOM 531 CA TYR A 37 -4.296 -7.431 -0.469 1.00 0.00 C ATOM 532 C TYR A 37 -4.608 -7.839 -1.905 1.00 0.00 C ATOM 533 O TYR A 37 -4.230 -7.150 -2.854 1.00 0.00 O ATOM 534 CB TYR A 37 -3.362 -6.219 -0.461 1.00 0.00 C ATOM 535 CG TYR A 37 -2.900 -5.820 0.922 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.802 -5.345 1.866 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.562 -5.916 1.283 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.385 -4.978 3.132 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.135 -5.552 2.546 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.050 -5.084 3.466 1.00 0.00 C ATOM 541 OH TYR A 37 -1.629 -4.720 4.724 1.00 0.00 O ATOM 0 H TYR A 37 -2.772 -8.813 -0.067 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.231 -7.164 0.024 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.490 -6.439 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.873 -5.374 -0.922 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.847 -5.261 1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.843 -6.281 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.099 -4.611 3.855 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.091 -5.633 2.811 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.661 -4.856 4.797 1.00 0.00 H new ATOM 551 N TRP A 38 -5.298 -8.962 -2.058 1.00 0.00 N ATOM 552 CA TRP A 38 -5.663 -9.463 -3.379 1.00 0.00 C ATOM 553 C TRP A 38 -6.828 -8.669 -3.960 1.00 0.00 C ATOM 554 O TRP A 38 -6.905 -8.455 -5.170 1.00 0.00 O ATOM 555 CB TRP A 38 -6.028 -10.946 -3.302 1.00 0.00 C ATOM 556 CG TRP A 38 -7.220 -11.221 -2.437 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.215 -11.743 -1.175 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.593 -10.987 -2.771 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.501 -11.850 -0.705 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.365 -11.391 -1.663 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.246 -10.475 -3.895 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.754 -11.300 -1.652 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.624 -10.384 -3.882 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.366 -10.795 -2.766 1.00 0.00 C ATOM 0 H TRP A 38 -5.617 -9.544 -1.284 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.802 -9.342 -4.036 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.225 -11.317 -4.308 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.174 -11.503 -2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.330 -12.030 -0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.769 -12.213 0.210 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.683 -10.156 -4.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.328 -11.617 -0.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -11.138 -9.990 -4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.443 -10.711 -2.786 1.00 0.00 H new ATOM 575 N PHE A 39 -7.733 -8.233 -3.090 1.00 0.00 N ATOM 576 CA PHE A 39 -8.895 -7.462 -3.517 1.00 0.00 C ATOM 577 C PHE A 39 -8.468 -6.208 -4.273 1.00 0.00 C ATOM 578 O PHE A 39 -9.217 -5.680 -5.097 1.00 0.00 O ATOM 579 CB PHE A 39 -9.751 -7.076 -2.309 1.00 0.00 C ATOM 580 CG PHE A 39 -8.986 -6.348 -1.241 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.772 -4.982 -1.332 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.480 -7.029 -0.146 1.00 0.00 C ATOM 583 CE1 PHE A 39 -8.068 -4.309 -0.352 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.774 -6.361 0.838 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.570 -5.000 0.736 1.00 0.00 C ATOM 0 H PHE A 39 -7.684 -8.400 -2.085 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.486 -8.086 -4.187 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.577 -6.449 -2.645 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.189 -7.978 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.160 -4.437 -2.179 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.639 -8.094 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.907 -3.244 -0.436 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.383 -6.904 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.022 -4.476 1.505 1.00 0.00 H new ATOM 595 N LEU A 40 -7.260 -5.736 -3.989 1.00 0.00 N ATOM 596 CA LEU A 40 -6.731 -4.542 -4.641 1.00 0.00 C ATOM 597 C LEU A 40 -6.953 -4.603 -6.148 1.00 0.00 C ATOM 598 O LEU A 40 -7.402 -3.634 -6.760 1.00 0.00 O ATOM 599 CB LEU A 40 -5.239 -4.390 -4.338 1.00 0.00 C ATOM 600 CG LEU A 40 -4.885 -3.946 -2.918 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.375 -3.881 -2.742 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.520 -2.599 -2.606 1.00 0.00 C ATOM 0 H LEU A 40 -6.627 -6.161 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.264 -3.676 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.750 -5.345 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.818 -3.669 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.281 -4.681 -2.217 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.140 -3.563 -1.726 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.945 -4.866 -2.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.956 -3.167 -3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.257 -2.299 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.155 -1.852 -3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.604 -2.679 -2.691 1.00 0.00 H new ATOM 614 N SER A 41 -6.636 -5.750 -6.742 1.00 0.00 N ATOM 615 CA SER A 41 -6.799 -5.937 -8.179 1.00 0.00 C ATOM 616 C SER A 41 -8.275 -5.931 -8.564 1.00 0.00 C ATOM 617 O SER A 41 -8.663 -5.340 -9.572 1.00 0.00 O ATOM 618 CB SER A 41 -6.150 -7.250 -8.620 1.00 0.00 C ATOM 619 OG SER A 41 -4.885 -7.020 -9.216 1.00 0.00 O ATOM 0 H SER A 41 -6.265 -6.563 -6.250 1.00 0.00 H new ATOM 0 HA SER A 41 -6.306 -5.108 -8.687 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.035 -7.909 -7.760 1.00 0.00 H new ATOM 0 HB3 SER A 41 -6.802 -7.761 -9.329 1.00 0.00 H new ATOM 0 HG SER A 41 -4.491 -7.875 -9.487 1.00 0.00 H new ATOM 625 N ASP A 42 -9.094 -6.593 -7.755 1.00 0.00 N ATOM 626 CA ASP A 42 -10.528 -6.664 -8.008 1.00 0.00 C ATOM 627 C ASP A 42 -11.203 -5.334 -7.689 1.00 0.00 C ATOM 628 O ASP A 42 -10.686 -4.538 -6.904 1.00 0.00 O ATOM 629 CB ASP A 42 -11.159 -7.783 -7.179 1.00 0.00 C ATOM 630 CG ASP A 42 -12.494 -8.235 -7.738 1.00 0.00 C ATOM 631 OD1 ASP A 42 -12.498 -9.127 -8.612 1.00 0.00 O ATOM 632 OD2 ASP A 42 -13.533 -7.698 -7.302 1.00 0.00 O ATOM 0 H ASP A 42 -8.789 -7.089 -6.917 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.675 -6.880 -9.066 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.477 -8.633 -7.142 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.295 -7.439 -6.154 1.00 0.00 H new ATOM 637 N GLU A 43 -12.358 -5.100 -8.302 1.00 0.00 N ATOM 638 CA GLU A 43 -13.103 -3.865 -8.083 1.00 0.00 C ATOM 639 C GLU A 43 -14.529 -4.162 -7.632 1.00 0.00 C ATOM 640 O GLU A 43 -15.075 -3.472 -6.771 1.00 0.00 O ATOM 641 CB GLU A 43 -13.125 -3.024 -9.362 1.00 0.00 C ATOM 642 CG GLU A 43 -11.864 -2.205 -9.574 1.00 0.00 C ATOM 643 CD GLU A 43 -12.092 -1.002 -10.470 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.165 -0.373 -10.355 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.199 -0.692 -11.287 1.00 0.00 O ATOM 0 H GLU A 43 -12.799 -5.749 -8.954 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.602 -3.303 -7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.268 -3.684 -10.218 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.983 -2.353 -9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.488 -1.868 -8.608 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.093 -2.839 -10.012 1.00 0.00 H new ATOM 652 N ASN A 44 -15.127 -5.193 -8.218 1.00 0.00 N ATOM 653 CA ASN A 44 -16.491 -5.582 -7.878 1.00 0.00 C ATOM 654 C ASN A 44 -16.511 -6.449 -6.622 1.00 0.00 C ATOM 655 O ASN A 44 -17.195 -7.471 -6.573 1.00 0.00 O ATOM 656 CB ASN A 44 -17.134 -6.337 -9.043 1.00 0.00 C ATOM 657 CG ASN A 44 -18.524 -5.821 -9.367 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.968 -4.813 -8.819 1.00 0.00 O ATOM 659 ND2 ASN A 44 -19.217 -6.514 -10.263 1.00 0.00 N ATOM 0 H ASN A 44 -14.688 -5.775 -8.932 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.063 -4.675 -7.682 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.501 -6.247 -9.925 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.191 -7.398 -8.799 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -20.157 -6.216 -10.522 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -18.809 -7.344 -10.692 1.00 0.00 H new ATOM 666 N SER A 45 -15.759 -6.032 -5.609 1.00 0.00 N ATOM 667 CA SER A 45 -15.688 -6.771 -4.355 1.00 0.00 C ATOM 668 C SER A 45 -15.937 -5.848 -3.166 1.00 0.00 C ATOM 669 O SER A 45 -16.075 -4.635 -3.325 1.00 0.00 O ATOM 670 CB SER A 45 -14.323 -7.448 -4.213 1.00 0.00 C ATOM 671 OG SER A 45 -13.274 -6.497 -4.268 1.00 0.00 O ATOM 0 H SER A 45 -15.190 -5.186 -5.632 1.00 0.00 H new ATOM 0 HA SER A 45 -16.465 -7.536 -4.368 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.278 -7.989 -3.268 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.194 -8.183 -5.007 1.00 0.00 H new ATOM 0 HG SER A 45 -12.412 -6.954 -4.173 1.00 0.00 H new ATOM 677 N LEU A 46 -15.991 -6.432 -1.973 1.00 0.00 N ATOM 678 CA LEU A 46 -16.223 -5.664 -0.755 1.00 0.00 C ATOM 679 C LEU A 46 -14.907 -5.156 -0.173 1.00 0.00 C ATOM 680 O LEU A 46 -14.783 -3.981 0.173 1.00 0.00 O ATOM 681 CB LEU A 46 -16.955 -6.519 0.280 1.00 0.00 C ATOM 682 CG LEU A 46 -16.673 -6.189 1.746 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.349 -6.796 2.185 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.666 -4.682 1.961 1.00 0.00 C ATOM 0 H LEU A 46 -15.877 -7.435 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.843 -4.804 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -18.027 -6.424 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.696 -7.564 0.107 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.468 -6.621 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -15.165 -6.551 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.389 -7.879 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.543 -6.394 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.464 -4.465 3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.892 -4.230 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.637 -4.271 1.686 1.00 0.00 H new ATOM 696 N GLU A 47 -13.929 -6.049 -0.070 1.00 0.00 N ATOM 697 CA GLU A 47 -12.621 -5.691 0.469 1.00 0.00 C ATOM 698 C GLU A 47 -12.015 -4.525 -0.306 1.00 0.00 C ATOM 699 O GLU A 47 -11.252 -3.730 0.243 1.00 0.00 O ATOM 700 CB GLU A 47 -11.678 -6.894 0.423 1.00 0.00 C ATOM 701 CG GLU A 47 -12.233 -8.129 1.112 1.00 0.00 C ATOM 702 CD GLU A 47 -12.835 -9.121 0.135 1.00 0.00 C ATOM 703 OE1 GLU A 47 -13.269 -8.692 -0.954 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.869 -10.327 0.461 1.00 0.00 O ATOM 0 H GLU A 47 -14.016 -7.025 -0.352 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.755 -5.385 1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.461 -7.135 -0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.732 -6.622 0.891 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.436 -8.616 1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.993 -7.828 1.833 1.00 0.00 H new ATOM 711 N TYR A 48 -12.359 -4.430 -1.586 1.00 0.00 N ATOM 712 CA TYR A 48 -11.846 -3.364 -2.438 1.00 0.00 C ATOM 713 C TYR A 48 -12.686 -2.098 -2.292 1.00 0.00 C ATOM 714 O TYR A 48 -12.199 -0.987 -2.503 1.00 0.00 O ATOM 715 CB TYR A 48 -11.833 -3.813 -3.900 1.00 0.00 C ATOM 716 CG TYR A 48 -11.383 -2.737 -4.861 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.280 -1.796 -5.351 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.059 -2.659 -5.277 1.00 0.00 C ATOM 719 CE1 TYR A 48 -11.872 -0.811 -6.230 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.643 -1.676 -6.154 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.553 -0.755 -6.629 1.00 0.00 C ATOM 722 OH TYR A 48 -10.144 0.226 -7.502 1.00 0.00 O ATOM 0 H TYR A 48 -12.991 -5.078 -2.056 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.826 -3.141 -2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.175 -4.676 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.834 -4.142 -4.179 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.313 -1.835 -5.040 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.343 -3.379 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.583 -0.088 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.610 -1.629 -6.466 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.186 0.126 -7.681 1.00 0.00 H new ATOM 732 N LYS A 49 -13.951 -2.274 -1.927 1.00 0.00 N ATOM 733 CA LYS A 49 -14.861 -1.148 -1.750 1.00 0.00 C ATOM 734 C LYS A 49 -14.391 -0.244 -0.615 1.00 0.00 C ATOM 735 O LYS A 49 -14.717 0.943 -0.579 1.00 0.00 O ATOM 736 CB LYS A 49 -16.277 -1.651 -1.462 1.00 0.00 C ATOM 737 CG LYS A 49 -17.262 -1.367 -2.583 1.00 0.00 C ATOM 738 CD LYS A 49 -18.279 -2.486 -2.728 1.00 0.00 C ATOM 739 CE LYS A 49 -18.534 -2.821 -4.190 1.00 0.00 C ATOM 740 NZ LYS A 49 -19.925 -3.306 -4.414 1.00 0.00 N ATOM 0 H LYS A 49 -14.370 -3.186 -1.748 1.00 0.00 H new ATOM 0 HA LYS A 49 -14.869 -0.569 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.243 -2.726 -1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.639 -1.187 -0.545 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.779 -0.428 -2.385 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.721 -1.242 -3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.921 -3.374 -2.207 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.215 -2.193 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.355 -1.937 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -17.827 -3.583 -4.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.059 -3.523 -5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.088 -4.164 -3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.600 -2.569 -4.126 1.00 0.00 H new ATOM 754 N TYR A 50 -13.623 -0.811 0.309 1.00 0.00 N ATOM 755 CA TYR A 50 -13.108 -0.055 1.445 1.00 0.00 C ATOM 756 C TYR A 50 -11.835 0.696 1.068 1.00 0.00 C ATOM 757 O TYR A 50 -11.771 1.921 1.168 1.00 0.00 O ATOM 758 CB TYR A 50 -12.833 -0.990 2.624 1.00 0.00 C ATOM 759 CG TYR A 50 -14.077 -1.385 3.387 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.230 -1.777 2.719 1.00 0.00 C ATOM 761 CD2 TYR A 50 -14.098 -1.369 4.776 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.369 -2.137 3.412 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.232 -1.729 5.478 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.365 -2.113 4.792 1.00 0.00 C ATOM 765 OH TYR A 50 -17.497 -2.473 5.486 1.00 0.00 O ATOM 0 H TYR A 50 -13.343 -1.792 0.294 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.864 0.674 1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.342 -1.891 2.256 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.137 -0.504 3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.236 -1.801 1.639 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.212 -1.070 5.317 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.258 -2.436 2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -15.231 -1.710 6.558 1.00 0.00 H new ATOM 0 HH TYR A 50 -18.003 -3.133 4.967 1.00 0.00 H new ATOM 775 N TYR A 51 -10.824 -0.048 0.635 1.00 0.00 N ATOM 776 CA TYR A 51 -9.550 0.545 0.244 1.00 0.00 C ATOM 777 C TYR A 51 -9.769 1.807 -0.585 1.00 0.00 C ATOM 778 O TYR A 51 -8.978 2.749 -0.524 1.00 0.00 O ATOM 779 CB TYR A 51 -8.717 -0.462 -0.549 1.00 0.00 C ATOM 780 CG TYR A 51 -7.424 0.111 -1.085 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.357 0.381 -0.238 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.271 0.382 -2.440 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.174 0.906 -0.724 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.091 0.905 -2.935 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.047 1.165 -2.072 1.00 0.00 C ATOM 786 OH TYR A 51 -3.870 1.686 -2.561 1.00 0.00 O ATOM 0 H TYR A 51 -10.861 -1.063 0.546 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.011 0.817 1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.489 -1.316 0.090 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.312 -0.837 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.453 0.177 0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.088 0.181 -3.117 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.354 1.112 -0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.987 1.109 -3.991 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.944 1.808 -3.530 1.00 0.00 H new ATOM 796 N LYS A 52 -10.848 1.818 -1.359 1.00 0.00 N ATOM 797 CA LYS A 52 -11.175 2.964 -2.200 1.00 0.00 C ATOM 798 C LYS A 52 -12.049 3.961 -1.446 1.00 0.00 C ATOM 799 O LYS A 52 -11.882 5.174 -1.580 1.00 0.00 O ATOM 800 CB LYS A 52 -11.891 2.502 -3.471 1.00 0.00 C ATOM 801 CG LYS A 52 -10.979 1.804 -4.464 1.00 0.00 C ATOM 802 CD LYS A 52 -10.020 2.782 -5.123 1.00 0.00 C ATOM 803 CE LYS A 52 -10.741 3.691 -6.106 1.00 0.00 C ATOM 804 NZ LYS A 52 -10.286 5.104 -5.990 1.00 0.00 N ATOM 0 H LYS A 52 -11.512 1.046 -1.422 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.243 3.459 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.700 1.826 -3.196 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.348 3.365 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.412 1.025 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.580 1.312 -5.228 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.532 3.386 -4.358 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.236 2.231 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.569 3.336 -7.122 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.815 3.639 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.801 5.692 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.473 5.451 -5.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.266 5.157 -6.185 1.00 0.00 H new ATOM 818 N LEU A 53 -12.980 3.444 -0.652 1.00 0.00 N ATOM 819 CA LEU A 53 -13.878 4.289 0.126 1.00 0.00 C ATOM 820 C LEU A 53 -13.172 4.849 1.355 1.00 0.00 C ATOM 821 O LEU A 53 -12.893 6.045 1.434 1.00 0.00 O ATOM 822 CB LEU A 53 -15.116 3.496 0.551 1.00 0.00 C ATOM 823 CG LEU A 53 -15.996 4.146 1.619 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.554 3.718 3.009 1.00 0.00 C ATOM 825 CD2 LEU A 53 -15.960 5.662 1.488 1.00 0.00 C ATOM 0 H LEU A 53 -13.133 2.443 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.187 5.124 -0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.727 3.314 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.791 2.523 0.920 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.023 3.812 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.192 4.191 3.755 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.633 2.635 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.520 4.021 3.171 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.592 6.109 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -14.936 6.014 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.327 5.951 0.503 1.00 0.00 H new ATOM 837 N LYS A 54 -12.882 3.975 2.314 1.00 0.00 N ATOM 838 CA LYS A 54 -12.205 4.380 3.540 1.00 0.00 C ATOM 839 C LYS A 54 -11.074 5.359 3.239 1.00 0.00 C ATOM 840 O LYS A 54 -10.732 6.203 4.067 1.00 0.00 O ATOM 841 CB LYS A 54 -11.652 3.154 4.271 1.00 0.00 C ATOM 842 CG LYS A 54 -11.594 3.320 5.779 1.00 0.00 C ATOM 843 CD LYS A 54 -12.885 2.865 6.440 1.00 0.00 C ATOM 844 CE LYS A 54 -12.853 3.099 7.943 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.030 1.831 8.705 1.00 0.00 N ATOM 0 H LYS A 54 -13.106 2.981 2.265 1.00 0.00 H new ATOM 0 HA LYS A 54 -12.933 4.879 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.271 2.289 4.033 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.650 2.941 3.899 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.758 2.745 6.177 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.408 4.366 6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.727 3.403 6.005 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.045 1.806 6.239 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.904 3.559 8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.640 3.801 8.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -12.498 1.885 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.039 1.688 8.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.676 1.034 8.139 1.00 0.00 H new ATOM 859 N LEU A 55 -10.496 5.239 2.048 1.00 0.00 N ATOM 860 CA LEU A 55 -9.404 6.114 1.636 1.00 0.00 C ATOM 861 C LEU A 55 -9.928 7.493 1.250 1.00 0.00 C ATOM 862 O LEU A 55 -9.353 8.514 1.626 1.00 0.00 O ATOM 863 CB LEU A 55 -8.646 5.496 0.460 1.00 0.00 C ATOM 864 CG LEU A 55 -7.399 6.251 -0.005 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.315 6.199 1.061 1.00 0.00 C ATOM 866 CD2 LEU A 55 -6.887 5.677 -1.317 1.00 0.00 C ATOM 0 H LEU A 55 -10.766 4.544 1.351 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.723 6.228 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.352 4.483 0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.331 5.411 -0.384 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.669 7.294 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.436 6.741 0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.684 6.658 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.047 5.161 1.257 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.000 6.226 -1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.634 4.626 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.660 5.767 -2.080 1.00 0.00 H new ATOM 878 N ALA A 56 -11.024 7.516 0.499 1.00 0.00 N ATOM 879 CA ALA A 56 -11.628 8.769 0.065 1.00 0.00 C ATOM 880 C ALA A 56 -12.112 9.587 1.258 1.00 0.00 C ATOM 881 O ALA A 56 -11.798 10.770 1.381 1.00 0.00 O ATOM 882 CB ALA A 56 -12.778 8.498 -0.893 1.00 0.00 C ATOM 0 H ALA A 56 -11.512 6.680 0.178 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.866 9.349 -0.456 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.219 9.443 -1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.406 7.962 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.534 7.894 -0.392 1.00 0.00 H new ATOM 888 N GLU A 57 -12.881 8.947 2.134 1.00 0.00 N ATOM 889 CA GLU A 57 -13.410 9.617 3.316 1.00 0.00 C ATOM 890 C GLU A 57 -12.283 10.022 4.262 1.00 0.00 C ATOM 891 O GLU A 57 -12.372 11.040 4.949 1.00 0.00 O ATOM 892 CB GLU A 57 -14.401 8.706 4.046 1.00 0.00 C ATOM 893 CG GLU A 57 -13.762 7.455 4.627 1.00 0.00 C ATOM 894 CD GLU A 57 -14.553 6.882 5.787 1.00 0.00 C ATOM 895 OE1 GLU A 57 -14.716 7.590 6.801 1.00 0.00 O ATOM 896 OE2 GLU A 57 -15.009 5.724 5.679 1.00 0.00 O ATOM 0 H GLU A 57 -13.151 7.967 2.047 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.929 10.518 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.875 9.269 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.190 8.413 3.354 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.672 6.701 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.751 7.689 4.962 1.00 0.00 H new ATOM 903 N MET A 58 -11.227 9.218 4.293 1.00 0.00 N ATOM 904 CA MET A 58 -10.082 9.493 5.155 1.00 0.00 C ATOM 905 C MET A 58 -9.216 10.602 4.569 1.00 0.00 C ATOM 906 O MET A 58 -8.662 11.421 5.302 1.00 0.00 O ATOM 907 CB MET A 58 -9.246 8.225 5.347 1.00 0.00 C ATOM 908 CG MET A 58 -9.832 7.261 6.365 1.00 0.00 C ATOM 909 SD MET A 58 -9.446 7.724 8.064 1.00 0.00 S ATOM 910 CE MET A 58 -7.721 7.252 8.161 1.00 0.00 C ATOM 0 H MET A 58 -11.139 8.371 3.732 1.00 0.00 H new ATOM 0 HA MET A 58 -10.458 9.823 6.124 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.149 7.715 4.389 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.241 8.506 5.661 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.914 7.221 6.241 1.00 0.00 H new ATOM 0 HG3 MET A 58 -9.452 6.258 6.171 1.00 0.00 H new ATOM 0 HE1 MET A 58 -7.603 6.454 8.894 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.384 6.901 7.185 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.125 8.113 8.463 1.00 0.00 H new ATOM 920 N GLN A 59 -9.103 10.623 3.245 1.00 0.00 N ATOM 921 CA GLN A 59 -8.303 11.633 2.562 1.00 0.00 C ATOM 922 C GLN A 59 -8.983 12.997 2.620 1.00 0.00 C ATOM 923 O GLN A 59 -8.326 14.021 2.819 1.00 0.00 O ATOM 924 CB GLN A 59 -8.068 11.230 1.106 1.00 0.00 C ATOM 925 CG GLN A 59 -6.843 10.353 0.907 1.00 0.00 C ATOM 926 CD GLN A 59 -6.186 10.565 -0.443 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.197 11.670 -0.986 1.00 0.00 O ATOM 928 NE2 GLN A 59 -5.608 9.504 -0.994 1.00 0.00 N ATOM 0 H GLN A 59 -9.555 9.952 2.624 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.342 11.704 3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -8.947 10.701 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.962 12.131 0.501 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.120 10.561 1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.130 9.306 1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.622 8.606 -0.510 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.150 9.587 -1.902 1.00 0.00 H new ATOM 937 N ARG A 60 -10.299 13.005 2.447 1.00 0.00 N ATOM 938 CA ARG A 60 -11.068 14.244 2.479 1.00 0.00 C ATOM 939 C ARG A 60 -11.044 14.862 3.874 1.00 0.00 C ATOM 940 O ARG A 60 -11.104 16.082 4.024 1.00 0.00 O ATOM 941 CB ARG A 60 -12.512 13.985 2.049 1.00 0.00 C ATOM 942 CG ARG A 60 -13.375 13.378 3.143 1.00 0.00 C ATOM 943 CD ARG A 60 -14.852 13.440 2.788 1.00 0.00 C ATOM 944 NE ARG A 60 -15.619 14.201 3.771 1.00 0.00 N ATOM 945 CZ ARG A 60 -16.037 13.696 4.927 1.00 0.00 C ATOM 946 NH1 ARG A 60 -15.765 12.438 5.243 1.00 0.00 N ATOM 947 NH2 ARG A 60 -16.731 14.452 5.769 1.00 0.00 N ATOM 0 H ARG A 60 -10.857 12.167 2.283 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.609 14.945 1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.959 14.925 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.511 13.318 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.082 12.341 3.305 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.203 13.908 4.080 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.970 13.895 1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.252 12.428 2.721 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.846 15.172 3.559 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.233 11.854 4.598 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.088 12.054 6.131 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.943 15.420 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.052 14.065 6.656 1.00 0.00 H new ATOM 961 N SER A 61 -10.957 14.011 4.892 1.00 0.00 N ATOM 962 CA SER A 61 -10.930 14.474 6.274 1.00 0.00 C ATOM 963 C SER A 61 -9.500 14.529 6.801 1.00 0.00 C ATOM 964 O SER A 61 -8.850 13.499 6.974 1.00 0.00 O ATOM 965 CB SER A 61 -11.776 13.555 7.158 1.00 0.00 C ATOM 966 OG SER A 61 -11.677 13.926 8.522 1.00 0.00 O ATOM 0 H SER A 61 -10.904 12.998 4.785 1.00 0.00 H new ATOM 0 HA SER A 61 -11.348 15.480 6.302 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.818 13.599 6.841 1.00 0.00 H new ATOM 0 HB3 SER A 61 -11.448 12.523 7.034 1.00 0.00 H new ATOM 0 HG SER A 61 -12.228 13.325 9.065 1.00 0.00 H new ATOM 972 N GLY A 62 -9.016 15.742 7.054 1.00 0.00 N ATOM 973 CA GLY A 62 -7.665 15.910 7.557 1.00 0.00 C ATOM 974 C GLY A 62 -7.015 17.187 7.060 1.00 0.00 C ATOM 975 O GLY A 62 -7.364 18.291 7.480 1.00 0.00 O ATOM 0 H GLY A 62 -9.535 16.610 6.920 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -7.685 15.916 8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.059 15.056 7.254 1.00 0.00 H new ATOM 979 N PRO A 63 -6.048 17.044 6.143 1.00 0.00 N ATOM 980 CA PRO A 63 -5.327 18.184 5.568 1.00 0.00 C ATOM 981 C PRO A 63 -6.209 19.024 4.649 1.00 0.00 C ATOM 982 O PRO A 63 -7.195 18.532 4.101 1.00 0.00 O ATOM 983 CB PRO A 63 -4.199 17.525 4.770 1.00 0.00 C ATOM 984 CG PRO A 63 -4.713 16.166 4.437 1.00 0.00 C ATOM 985 CD PRO A 63 -5.583 15.759 5.595 1.00 0.00 C ATOM 0 HA PRO A 63 -4.978 18.874 6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.968 18.093 3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.281 17.469 5.355 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.282 16.181 3.507 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.893 15.461 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -6.416 15.135 5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.024 15.186 6.335 1.00 0.00 H new ATOM 993 N SER A 64 -5.847 20.291 4.486 1.00 0.00 N ATOM 994 CA SER A 64 -6.607 21.200 3.636 1.00 0.00 C ATOM 995 C SER A 64 -5.950 22.577 3.588 1.00 0.00 C ATOM 996 O SER A 64 -5.791 23.164 2.517 1.00 0.00 O ATOM 997 CB SER A 64 -8.044 21.326 4.146 1.00 0.00 C ATOM 998 OG SER A 64 -8.869 21.971 3.190 1.00 0.00 O ATOM 0 H SER A 64 -5.032 20.712 4.931 1.00 0.00 H new ATOM 0 HA SER A 64 -6.621 20.788 2.627 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.443 20.336 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.054 21.889 5.079 1.00 0.00 H new ATOM 0 HG SER A 64 -9.782 22.038 3.538 1.00 0.00 H new ATOM 1004 N SER A 65 -5.570 23.086 4.755 1.00 0.00 N ATOM 1005 CA SER A 65 -4.933 24.394 4.848 1.00 0.00 C ATOM 1006 C SER A 65 -5.877 25.492 4.368 1.00 0.00 C ATOM 1007 O SER A 65 -6.770 25.248 3.558 1.00 0.00 O ATOM 1008 CB SER A 65 -3.644 24.417 4.026 1.00 0.00 C ATOM 1009 OG SER A 65 -2.504 24.296 4.859 1.00 0.00 O ATOM 0 H SER A 65 -5.692 22.612 5.650 1.00 0.00 H new ATOM 0 HA SER A 65 -4.690 24.579 5.894 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.657 23.603 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.587 25.347 3.460 1.00 0.00 H new ATOM 0 HG SER A 65 -1.693 24.312 4.308 1.00 0.00 H new ATOM 1015 N GLY A 66 -5.670 26.704 4.873 1.00 0.00 N ATOM 1016 CA GLY A 66 -6.509 27.823 4.485 1.00 0.00 C ATOM 1017 C GLY A 66 -7.925 27.697 5.013 1.00 0.00 C ATOM 1018 O GLY A 66 -8.140 27.641 6.223 1.00 0.00 O ATOM 0 H GLY A 66 -4.936 26.931 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.068 28.749 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.535 27.894 3.398 1.00 0.00 H new TER 1022 GLY A 66