USER MOD reduce.3.24.130724 H: found=0, std=0, add=883, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 883 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 THR OG1 : rot 180:sc= 1.6 USER MOD Set 1.2: A 46 THR OG1 : rot 86:sc= 1.26 USER MOD Set 2.1: A 23 GLN : amide:sc= 0.0124 K(o=-0.85,f=-3.9!) USER MOD Set 2.2: A 29 GLN : amide:sc= -0.859 K(o=-0.85,f=-1.4) USER MOD Set 3.1: A 13 GLN : amide:sc= 0.845 K(o=1.8,f=0.41) USER MOD Set 3.2: A 54 HIS : no HD1:sc= 0.924 K(o=1.8,f=-7.1!) USER MOD Single : A 1 MET CE :methyl -146:sc= 0 (180deg=-0.608) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 158:sc= -0.127 (180deg=-0.826) USER MOD Single : A 22 SER OG : rot -9:sc= 0.795 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -56:sc= 0.0729 USER MOD Single : A 34 CYS SG : rot -70:sc= 1.24 USER MOD Single : A 35 SER OG : rot -23:sc= 0.0974 USER MOD Single : A 39 LYS NZ :NH3+ -132:sc= 0.95 (180deg=-0.12) USER MOD Single : A 42 CYS SG : rot -169:sc= 0.0689 USER MOD Single : A 53 GLN : amide:sc= 0.267 K(o=0.27,f=-8.1!) USER MOD Single : A 58 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.322 X(o=-0.32,f=-0.17) USER MOD Single : A 74 LYS NZ :NH3+ 135:sc= -0.0962 (180deg=-0.525) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.145 X(o=0.14,f=-0.071) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -162:sc= -0.0869 (180deg=-0.392) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.031 -22.549 1.982 1.00 0.00 N ATOM 2 CA MET A 1 13.290 -22.212 3.399 1.00 0.00 C ATOM 3 C MET A 1 12.662 -20.867 3.728 1.00 0.00 C ATOM 4 O MET A 1 13.069 -19.835 3.196 1.00 0.00 O ATOM 5 CB MET A 1 14.795 -22.177 3.675 1.00 0.00 C ATOM 6 CG MET A 1 15.139 -21.936 5.134 1.00 0.00 C ATOM 7 SD MET A 1 16.918 -21.940 5.434 1.00 0.00 S ATOM 8 CE MET A 1 16.964 -21.734 7.215 1.00 0.00 C ATOM 0 H1 MET A 1 13.462 -23.469 1.760 1.00 0.00 H new ATOM 0 H2 MET A 1 12.005 -22.598 1.819 1.00 0.00 H new ATOM 0 H3 MET A 1 13.444 -21.817 1.370 1.00 0.00 H new ATOM 0 HA MET A 1 12.844 -22.979 4.032 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.236 -23.122 3.357 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.249 -21.393 3.069 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.723 -20.979 5.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.669 -22.705 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.837 -21.142 7.490 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.060 -21.222 7.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.023 -22.712 7.693 1.00 0.00 H new ATOM 20 N THR A 2 11.671 -20.886 4.606 1.00 0.00 N ATOM 21 CA THR A 2 10.877 -19.702 4.897 1.00 0.00 C ATOM 22 C THR A 2 11.588 -18.775 5.879 1.00 0.00 C ATOM 23 O THR A 2 11.414 -17.551 5.835 1.00 0.00 O ATOM 24 CB THR A 2 9.503 -20.096 5.474 1.00 0.00 C ATOM 25 OG1 THR A 2 8.928 -21.139 4.676 1.00 0.00 O ATOM 26 CG2 THR A 2 8.558 -18.903 5.507 1.00 0.00 C ATOM 0 H THR A 2 11.396 -21.715 5.133 1.00 0.00 H new ATOM 0 HA THR A 2 10.739 -19.170 3.956 1.00 0.00 H new ATOM 0 HB THR A 2 9.650 -20.446 6.496 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.055 -21.390 5.045 1.00 0.00 H new ATOM 0 HG21 THR A 2 7.597 -19.211 5.919 1.00 0.00 H new ATOM 0 HG22 THR A 2 8.985 -18.118 6.131 1.00 0.00 H new ATOM 0 HG23 THR A 2 8.414 -18.524 4.495 1.00 0.00 H new ATOM 34 N LYS A 3 12.397 -19.352 6.757 1.00 0.00 N ATOM 35 CA LYS A 3 13.088 -18.567 7.765 1.00 0.00 C ATOM 36 C LYS A 3 14.424 -18.045 7.246 1.00 0.00 C ATOM 37 O LYS A 3 15.443 -18.736 7.298 1.00 0.00 O ATOM 38 CB LYS A 3 13.301 -19.382 9.044 1.00 0.00 C ATOM 39 CG LYS A 3 13.932 -18.572 10.162 1.00 0.00 C ATOM 40 CD LYS A 3 14.184 -19.415 11.399 1.00 0.00 C ATOM 41 CE LYS A 3 14.854 -18.596 12.488 1.00 0.00 C ATOM 42 NZ LYS A 3 15.167 -19.408 13.690 1.00 0.00 N ATOM 0 H LYS A 3 12.589 -20.353 6.790 1.00 0.00 H new ATOM 0 HA LYS A 3 12.456 -17.710 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 3 12.342 -19.774 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 3 13.935 -20.240 8.821 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.873 -18.146 9.815 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.280 -17.737 10.418 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.240 -19.816 11.769 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.813 -20.267 11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.773 -18.159 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.203 -17.769 12.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.623 -18.807 14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 14.288 -19.804 14.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 15.810 -20.183 13.428 1.00 0.00 H new ATOM 56 N ASN A 4 14.399 -16.834 6.714 1.00 0.00 N ATOM 57 CA ASN A 4 15.622 -16.129 6.360 1.00 0.00 C ATOM 58 C ASN A 4 15.880 -15.063 7.409 1.00 0.00 C ATOM 59 O ASN A 4 14.952 -14.359 7.802 1.00 0.00 O ATOM 60 CB ASN A 4 15.510 -15.490 4.971 1.00 0.00 C ATOM 61 CG ASN A 4 16.805 -14.834 4.520 1.00 0.00 C ATOM 62 OD1 ASN A 4 17.056 -13.658 4.799 1.00 0.00 O ATOM 63 ND2 ASN A 4 17.632 -15.586 3.812 1.00 0.00 N ATOM 0 H ASN A 4 13.542 -16.316 6.517 1.00 0.00 H new ATOM 0 HA ASN A 4 16.451 -16.837 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 4 15.223 -16.253 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 4 14.715 -14.745 4.982 1.00 0.00 H new ATOM 0 HD21 ASN A 4 18.513 -15.198 3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 4 17.388 -16.554 3.602 1.00 0.00 H new ATOM 70 N THR A 5 17.120 -14.967 7.877 1.00 0.00 N ATOM 71 CA THR A 5 17.479 -14.015 8.923 1.00 0.00 C ATOM 72 C THR A 5 17.166 -12.575 8.509 1.00 0.00 C ATOM 73 O THR A 5 17.934 -11.936 7.787 1.00 0.00 O ATOM 74 CB THR A 5 18.973 -14.138 9.295 1.00 0.00 C ATOM 75 OG1 THR A 5 19.276 -15.501 9.625 1.00 0.00 O ATOM 76 CG2 THR A 5 19.317 -13.242 10.476 1.00 0.00 C ATOM 0 H THR A 5 17.897 -15.540 7.547 1.00 0.00 H new ATOM 0 HA THR A 5 16.874 -14.259 9.796 1.00 0.00 H new ATOM 0 HB THR A 5 19.567 -13.822 8.437 1.00 0.00 H new ATOM 0 HG1 THR A 5 20.225 -15.578 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 5 20.375 -13.348 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 5 19.106 -12.204 10.219 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.717 -13.531 11.339 1.00 0.00 H new ATOM 84 N ARG A 6 16.020 -12.083 8.959 1.00 0.00 N ATOM 85 CA ARG A 6 15.606 -10.715 8.677 1.00 0.00 C ATOM 86 C ARG A 6 14.736 -10.185 9.808 1.00 0.00 C ATOM 87 O ARG A 6 14.773 -8.995 10.126 1.00 0.00 O ATOM 88 CB ARG A 6 14.852 -10.629 7.339 1.00 0.00 C ATOM 89 CG ARG A 6 13.515 -11.357 7.321 1.00 0.00 C ATOM 90 CD ARG A 6 12.800 -11.182 5.987 1.00 0.00 C ATOM 91 NE ARG A 6 11.454 -11.755 6.003 1.00 0.00 N ATOM 92 CZ ARG A 6 10.804 -12.167 4.916 1.00 0.00 C ATOM 93 NH1 ARG A 6 11.355 -12.049 3.715 1.00 0.00 N ATOM 94 NH2 ARG A 6 9.587 -12.682 5.031 1.00 0.00 N ATOM 0 H ARG A 6 15.357 -12.614 9.524 1.00 0.00 H new ATOM 0 HA ARG A 6 16.502 -10.099 8.600 1.00 0.00 H new ATOM 0 HB2 ARG A 6 14.683 -9.579 7.098 1.00 0.00 H new ATOM 0 HB3 ARG A 6 15.485 -11.039 6.552 1.00 0.00 H new ATOM 0 HG2 ARG A 6 13.675 -12.418 7.512 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.884 -10.980 8.125 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.739 -10.121 5.746 1.00 0.00 H new ATOM 0 HD3 ARG A 6 13.385 -11.655 5.198 1.00 0.00 H new ATOM 0 HE ARG A 6 10.984 -11.845 6.904 1.00 0.00 H new ATOM 0 HH11 ARG A 6 12.284 -11.640 3.618 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.849 -12.367 2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.152 -12.762 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.087 -12.998 4.200 1.00 0.00 H new ATOM 108 N PHE A 7 13.966 -11.091 10.414 1.00 0.00 N ATOM 109 CA PHE A 7 13.070 -10.769 11.522 1.00 0.00 C ATOM 110 C PHE A 7 11.964 -9.805 11.095 1.00 0.00 C ATOM 111 O PHE A 7 11.923 -9.337 9.950 1.00 0.00 O ATOM 112 CB PHE A 7 13.854 -10.212 12.717 1.00 0.00 C ATOM 113 CG PHE A 7 14.708 -11.246 13.401 1.00 0.00 C ATOM 114 CD1 PHE A 7 15.962 -11.569 12.907 1.00 0.00 C ATOM 115 CD2 PHE A 7 14.253 -11.899 14.537 1.00 0.00 C ATOM 116 CE1 PHE A 7 16.746 -12.522 13.531 1.00 0.00 C ATOM 117 CE2 PHE A 7 15.034 -12.852 15.165 1.00 0.00 C ATOM 118 CZ PHE A 7 16.282 -13.164 14.661 1.00 0.00 C ATOM 0 H PHE A 7 13.948 -12.075 10.146 1.00 0.00 H new ATOM 0 HA PHE A 7 12.590 -11.697 11.832 1.00 0.00 H new ATOM 0 HB2 PHE A 7 14.488 -9.393 12.377 1.00 0.00 H new ATOM 0 HB3 PHE A 7 13.153 -9.793 13.439 1.00 0.00 H new ATOM 0 HD1 PHE A 7 16.332 -11.070 12.023 1.00 0.00 H new ATOM 0 HD2 PHE A 7 13.278 -11.661 14.936 1.00 0.00 H new ATOM 0 HE1 PHE A 7 17.721 -12.764 13.134 1.00 0.00 H new ATOM 0 HE2 PHE A 7 14.668 -13.352 16.049 1.00 0.00 H new ATOM 0 HZ PHE A 7 16.893 -13.908 15.150 1.00 0.00 H new ATOM 128 N SER A 8 11.060 -9.524 12.019 1.00 0.00 N ATOM 129 CA SER A 8 9.920 -8.674 11.739 1.00 0.00 C ATOM 130 C SER A 8 10.342 -7.219 11.562 1.00 0.00 C ATOM 131 O SER A 8 11.307 -6.759 12.184 1.00 0.00 O ATOM 132 CB SER A 8 8.900 -8.799 12.868 1.00 0.00 C ATOM 133 OG SER A 8 8.441 -10.136 12.976 1.00 0.00 O ATOM 0 H SER A 8 11.097 -9.876 12.976 1.00 0.00 H new ATOM 0 HA SER A 8 9.467 -9.001 10.803 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.351 -8.486 13.810 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.058 -8.133 12.681 1.00 0.00 H new ATOM 0 HG SER A 8 7.789 -10.200 13.705 1.00 0.00 H new ATOM 139 N PRO A 9 9.623 -6.479 10.699 1.00 0.00 N ATOM 140 CA PRO A 9 9.890 -5.063 10.434 1.00 0.00 C ATOM 141 C PRO A 9 9.952 -4.233 11.713 1.00 0.00 C ATOM 142 O PRO A 9 10.720 -3.284 11.801 1.00 0.00 O ATOM 143 CB PRO A 9 8.708 -4.613 9.562 1.00 0.00 C ATOM 144 CG PRO A 9 7.710 -5.721 9.628 1.00 0.00 C ATOM 145 CD PRO A 9 8.491 -6.971 9.898 1.00 0.00 C ATOM 0 HA PRO A 9 10.859 -4.925 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 9 8.282 -3.680 9.932 1.00 0.00 H new ATOM 0 HB3 PRO A 9 9.026 -4.433 8.535 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.979 -5.540 10.416 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.156 -5.802 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.900 -7.708 10.442 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.824 -7.447 8.976 1.00 0.00 H new ATOM 153 N GLU A 10 9.149 -4.615 12.704 1.00 0.00 N ATOM 154 CA GLU A 10 9.120 -3.928 13.995 1.00 0.00 C ATOM 155 C GLU A 10 10.532 -3.804 14.578 1.00 0.00 C ATOM 156 O GLU A 10 11.027 -2.697 14.819 1.00 0.00 O ATOM 157 CB GLU A 10 8.216 -4.698 14.965 1.00 0.00 C ATOM 158 CG GLU A 10 8.044 -4.033 16.323 1.00 0.00 C ATOM 159 CD GLU A 10 7.365 -2.683 16.229 1.00 0.00 C ATOM 160 OE1 GLU A 10 6.170 -2.639 15.877 1.00 0.00 O ATOM 161 OE2 GLU A 10 8.018 -1.661 16.519 1.00 0.00 O ATOM 0 H GLU A 10 8.505 -5.403 12.637 1.00 0.00 H new ATOM 0 HA GLU A 10 8.724 -2.923 13.848 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.234 -4.822 14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.628 -5.696 15.112 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.459 -4.685 16.971 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.021 -3.912 16.791 1.00 0.00 H new ATOM 168 N VAL A 11 11.180 -4.944 14.779 1.00 0.00 N ATOM 169 CA VAL A 11 12.517 -4.975 15.357 1.00 0.00 C ATOM 170 C VAL A 11 13.542 -4.426 14.374 1.00 0.00 C ATOM 171 O VAL A 11 14.392 -3.613 14.737 1.00 0.00 O ATOM 172 CB VAL A 11 12.925 -6.406 15.772 1.00 0.00 C ATOM 173 CG1 VAL A 11 14.292 -6.410 16.441 1.00 0.00 C ATOM 174 CG2 VAL A 11 11.879 -7.018 16.688 1.00 0.00 C ATOM 0 H VAL A 11 10.800 -5.862 14.549 1.00 0.00 H new ATOM 0 HA VAL A 11 12.494 -4.348 16.248 1.00 0.00 H new ATOM 0 HB VAL A 11 12.989 -7.014 14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 11 14.556 -7.429 16.724 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.038 -6.021 15.748 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.263 -5.783 17.332 1.00 0.00 H new ATOM 0 HG21 VAL A 11 12.186 -8.026 16.968 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.778 -6.407 17.585 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.921 -7.061 16.169 1.00 0.00 H new ATOM 184 N ARG A 12 13.435 -4.851 13.121 1.00 0.00 N ATOM 185 CA ARG A 12 14.404 -4.479 12.098 1.00 0.00 C ATOM 186 C ARG A 12 14.424 -2.969 11.849 1.00 0.00 C ATOM 187 O ARG A 12 15.497 -2.371 11.749 1.00 0.00 O ATOM 188 CB ARG A 12 14.126 -5.254 10.807 1.00 0.00 C ATOM 189 CG ARG A 12 15.023 -4.865 9.642 1.00 0.00 C ATOM 190 CD ARG A 12 15.183 -6.009 8.650 1.00 0.00 C ATOM 191 NE ARG A 12 13.921 -6.703 8.386 1.00 0.00 N ATOM 192 CZ ARG A 12 13.477 -7.018 7.169 1.00 0.00 C ATOM 193 NH1 ARG A 12 14.148 -6.632 6.087 1.00 0.00 N ATOM 194 NH2 ARG A 12 12.352 -7.711 7.037 1.00 0.00 N ATOM 0 H ARG A 12 12.684 -5.456 12.788 1.00 0.00 H new ATOM 0 HA ARG A 12 15.397 -4.747 12.460 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.245 -6.320 11.003 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.086 -5.097 10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.603 -3.998 9.133 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.002 -4.570 10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.583 -5.620 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.912 -6.721 9.036 1.00 0.00 H new ATOM 0 HE ARG A 12 13.344 -6.963 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.008 -6.092 6.186 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.803 -6.876 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.831 -8.000 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.009 -7.954 6.108 1.00 0.00 H new ATOM 208 N GLN A 13 13.251 -2.347 11.769 1.00 0.00 N ATOM 209 CA GLN A 13 13.181 -0.901 11.586 1.00 0.00 C ATOM 210 C GLN A 13 13.806 -0.185 12.776 1.00 0.00 C ATOM 211 O GLN A 13 14.665 0.678 12.600 1.00 0.00 O ATOM 212 CB GLN A 13 11.738 -0.423 11.391 1.00 0.00 C ATOM 213 CG GLN A 13 11.148 -0.733 10.021 1.00 0.00 C ATOM 214 CD GLN A 13 11.914 -0.081 8.885 1.00 0.00 C ATOM 215 OE1 GLN A 13 12.550 0.961 9.060 1.00 0.00 O ATOM 216 NE2 GLN A 13 11.832 -0.670 7.701 1.00 0.00 N ATOM 0 H GLN A 13 12.346 -2.815 11.827 1.00 0.00 H new ATOM 0 HA GLN A 13 13.741 -0.659 10.683 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.110 -0.882 12.155 1.00 0.00 H new ATOM 0 HB3 GLN A 13 11.701 0.654 11.553 1.00 0.00 H new ATOM 0 HG2 GLN A 13 11.137 -1.813 9.872 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.112 -0.397 9.993 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.296 -1.531 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.305 -0.262 6.895 1.00 0.00 H new ATOM 225 N ARG A 14 13.390 -0.557 13.988 1.00 0.00 N ATOM 226 CA ARG A 14 13.926 0.066 15.197 1.00 0.00 C ATOM 227 C ARG A 14 15.445 -0.070 15.253 1.00 0.00 C ATOM 228 O ARG A 14 16.153 0.900 15.524 1.00 0.00 O ATOM 229 CB ARG A 14 13.312 -0.548 16.460 1.00 0.00 C ATOM 230 CG ARG A 14 13.886 0.040 17.743 1.00 0.00 C ATOM 231 CD ARG A 14 13.361 -0.660 18.986 1.00 0.00 C ATOM 232 NE ARG A 14 11.933 -0.430 19.197 1.00 0.00 N ATOM 233 CZ ARG A 14 11.445 0.386 20.133 1.00 0.00 C ATOM 234 NH1 ARG A 14 12.268 1.111 20.883 1.00 0.00 N ATOM 235 NH2 ARG A 14 10.133 0.492 20.311 1.00 0.00 N ATOM 0 H ARG A 14 12.690 -1.280 14.157 1.00 0.00 H new ATOM 0 HA ARG A 14 13.663 1.123 15.158 1.00 0.00 H new ATOM 0 HB2 ARG A 14 12.233 -0.393 16.446 1.00 0.00 H new ATOM 0 HB3 ARG A 14 13.479 -1.625 16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 14 14.973 -0.034 17.719 1.00 0.00 H new ATOM 0 HG3 ARG A 14 13.640 1.101 17.795 1.00 0.00 H new ATOM 0 HD2 ARG A 14 13.544 -1.731 18.901 1.00 0.00 H new ATOM 0 HD3 ARG A 14 13.915 -0.310 19.857 1.00 0.00 H new ATOM 0 HE ARG A 14 11.272 -0.921 18.595 1.00 0.00 H new ATOM 0 HH11 ARG A 14 13.276 1.045 20.744 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.891 1.734 21.598 1.00 0.00 H new ATOM 0 HH21 ARG A 14 9.494 -0.052 19.731 1.00 0.00 H new ATOM 0 HH22 ARG A 14 9.764 1.117 21.028 1.00 0.00 H new ATOM 249 N ALA A 15 15.932 -1.276 14.984 1.00 0.00 N ATOM 250 CA ALA A 15 17.357 -1.561 15.039 1.00 0.00 C ATOM 251 C ALA A 15 18.141 -0.667 14.089 1.00 0.00 C ATOM 252 O ALA A 15 19.014 0.090 14.514 1.00 0.00 O ATOM 253 CB ALA A 15 17.613 -3.029 14.720 1.00 0.00 C ATOM 0 H ALA A 15 15.355 -2.076 14.724 1.00 0.00 H new ATOM 0 HA ALA A 15 17.702 -1.352 16.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.683 -3.230 14.764 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.096 -3.655 15.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.243 -3.254 13.720 1.00 0.00 H new ATOM 259 N VAL A 16 17.801 -0.731 12.810 1.00 0.00 N ATOM 260 CA VAL A 16 18.544 -0.012 11.785 1.00 0.00 C ATOM 261 C VAL A 16 18.468 1.499 11.986 1.00 0.00 C ATOM 262 O VAL A 16 19.475 2.192 11.869 1.00 0.00 O ATOM 263 CB VAL A 16 18.053 -0.361 10.366 1.00 0.00 C ATOM 264 CG1 VAL A 16 18.884 0.370 9.323 1.00 0.00 C ATOM 265 CG2 VAL A 16 18.107 -1.862 10.131 1.00 0.00 C ATOM 0 H VAL A 16 17.014 -1.275 12.457 1.00 0.00 H new ATOM 0 HA VAL A 16 19.582 -0.331 11.885 1.00 0.00 H new ATOM 0 HB VAL A 16 17.016 -0.038 10.274 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.525 0.113 8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.794 1.446 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.929 0.076 9.419 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.756 -2.085 9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.133 -2.211 10.244 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.470 -2.367 10.857 1.00 0.00 H new ATOM 275 N ARG A 17 17.285 2.011 12.304 1.00 0.00 N ATOM 276 CA ARG A 17 17.118 3.451 12.473 1.00 0.00 C ATOM 277 C ARG A 17 17.930 3.953 13.663 1.00 0.00 C ATOM 278 O ARG A 17 18.417 5.084 13.663 1.00 0.00 O ATOM 279 CB ARG A 17 15.644 3.823 12.639 1.00 0.00 C ATOM 280 CG ARG A 17 14.781 3.438 11.446 1.00 0.00 C ATOM 281 CD ARG A 17 13.374 3.993 11.570 1.00 0.00 C ATOM 282 NE ARG A 17 13.325 5.422 11.267 1.00 0.00 N ATOM 283 CZ ARG A 17 12.538 6.298 11.888 1.00 0.00 C ATOM 284 NH1 ARG A 17 11.776 5.914 12.904 1.00 0.00 N ATOM 285 NH2 ARG A 17 12.530 7.562 11.491 1.00 0.00 N ATOM 0 H ARG A 17 16.438 1.461 12.448 1.00 0.00 H new ATOM 0 HA ARG A 17 17.489 3.935 11.570 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.253 3.335 13.532 1.00 0.00 H new ATOM 0 HB3 ARG A 17 15.565 4.898 12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 17 15.240 3.810 10.530 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.738 2.352 11.363 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.710 3.455 10.893 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.004 3.823 12.581 1.00 0.00 H new ATOM 0 HE ARG A 17 13.936 5.772 10.529 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.791 4.942 13.214 1.00 0.00 H new ATOM 0 HH12 ARG A 17 11.175 6.590 13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.124 7.857 10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 17 11.930 8.240 11.961 1.00 0.00 H new ATOM 299 N MET A 18 18.081 3.103 14.671 1.00 0.00 N ATOM 300 CA MET A 18 18.908 3.426 15.823 1.00 0.00 C ATOM 301 C MET A 18 20.382 3.385 15.434 1.00 0.00 C ATOM 302 O MET A 18 21.175 4.219 15.874 1.00 0.00 O ATOM 303 CB MET A 18 18.625 2.455 16.970 1.00 0.00 C ATOM 304 CG MET A 18 19.470 2.706 18.207 1.00 0.00 C ATOM 305 SD MET A 18 18.947 1.710 19.620 1.00 0.00 S ATOM 306 CE MET A 18 19.076 0.054 18.947 1.00 0.00 C ATOM 0 H MET A 18 17.640 2.184 14.712 1.00 0.00 H new ATOM 0 HA MET A 18 18.665 4.433 16.162 1.00 0.00 H new ATOM 0 HB2 MET A 18 17.571 2.524 17.241 1.00 0.00 H new ATOM 0 HB3 MET A 18 18.799 1.436 16.623 1.00 0.00 H new ATOM 0 HG2 MET A 18 20.514 2.488 17.980 1.00 0.00 H new ATOM 0 HG3 MET A 18 19.415 3.762 18.472 1.00 0.00 H new ATOM 0 HE1 MET A 18 19.172 -0.663 19.762 1.00 0.00 H new ATOM 0 HE2 MET A 18 18.182 -0.174 18.367 1.00 0.00 H new ATOM 0 HE3 MET A 18 19.953 -0.009 18.302 1.00 0.00 H new ATOM 316 N VAL A 19 20.742 2.421 14.593 1.00 0.00 N ATOM 317 CA VAL A 19 22.100 2.330 14.076 1.00 0.00 C ATOM 318 C VAL A 19 22.431 3.562 13.241 1.00 0.00 C ATOM 319 O VAL A 19 23.496 4.148 13.391 1.00 0.00 O ATOM 320 CB VAL A 19 22.312 1.062 13.217 1.00 0.00 C ATOM 321 CG1 VAL A 19 23.720 1.026 12.640 1.00 0.00 C ATOM 322 CG2 VAL A 19 22.046 -0.192 14.031 1.00 0.00 C ATOM 0 H VAL A 19 20.112 1.693 14.256 1.00 0.00 H new ATOM 0 HA VAL A 19 22.766 2.272 14.937 1.00 0.00 H new ATOM 0 HB VAL A 19 21.602 1.096 12.391 1.00 0.00 H new ATOM 0 HG11 VAL A 19 23.844 0.125 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 19 23.879 1.904 12.014 1.00 0.00 H new ATOM 0 HG13 VAL A 19 24.446 1.024 13.453 1.00 0.00 H new ATOM 0 HG21 VAL A 19 22.201 -1.071 13.406 1.00 0.00 H new ATOM 0 HG22 VAL A 19 22.728 -0.226 14.881 1.00 0.00 H new ATOM 0 HG23 VAL A 19 21.017 -0.180 14.392 1.00 0.00 H new ATOM 332 N LEU A 20 21.500 3.954 12.377 1.00 0.00 N ATOM 333 CA LEU A 20 21.677 5.128 11.521 1.00 0.00 C ATOM 334 C LEU A 20 21.800 6.401 12.354 1.00 0.00 C ATOM 335 O LEU A 20 22.558 7.309 12.008 1.00 0.00 O ATOM 336 CB LEU A 20 20.508 5.256 10.541 1.00 0.00 C ATOM 337 CG LEU A 20 20.341 4.087 9.566 1.00 0.00 C ATOM 338 CD1 LEU A 20 19.117 4.298 8.693 1.00 0.00 C ATOM 339 CD2 LEU A 20 21.586 3.918 8.708 1.00 0.00 C ATOM 0 H LEU A 20 20.609 3.474 12.249 1.00 0.00 H new ATOM 0 HA LEU A 20 22.601 4.995 10.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 19.586 5.365 11.113 1.00 0.00 H new ATOM 0 HB3 LEU A 20 20.637 6.172 9.965 1.00 0.00 H new ATOM 0 HG LEU A 20 20.201 3.174 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.012 3.459 8.005 1.00 0.00 H new ATOM 0 HD12 LEU A 20 18.229 4.366 9.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.230 5.221 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 20 21.445 3.082 8.023 1.00 0.00 H new ATOM 0 HD22 LEU A 20 21.761 4.830 8.137 1.00 0.00 H new ATOM 0 HD23 LEU A 20 22.445 3.721 9.349 1.00 0.00 H new ATOM 351 N GLU A 21 21.051 6.455 13.449 1.00 0.00 N ATOM 352 CA GLU A 21 21.103 7.582 14.371 1.00 0.00 C ATOM 353 C GLU A 21 22.535 7.785 14.860 1.00 0.00 C ATOM 354 O GLU A 21 23.135 8.843 14.652 1.00 0.00 O ATOM 355 CB GLU A 21 20.148 7.322 15.549 1.00 0.00 C ATOM 356 CG GLU A 21 19.900 8.522 16.460 1.00 0.00 C ATOM 357 CD GLU A 21 21.095 8.887 17.321 1.00 0.00 C ATOM 358 OE1 GLU A 21 21.647 7.989 17.993 1.00 0.00 O ATOM 359 OE2 GLU A 21 21.487 10.074 17.318 1.00 0.00 O ATOM 0 H GLU A 21 20.394 5.723 13.721 1.00 0.00 H new ATOM 0 HA GLU A 21 20.786 8.492 13.862 1.00 0.00 H new ATOM 0 HB2 GLU A 21 19.191 6.983 15.152 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.551 6.507 16.150 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.627 9.382 15.848 1.00 0.00 H new ATOM 0 HG3 GLU A 21 19.049 8.307 17.106 1.00 0.00 H new ATOM 366 N SER A 22 23.093 6.753 15.471 1.00 0.00 N ATOM 367 CA SER A 22 24.433 6.836 16.027 1.00 0.00 C ATOM 368 C SER A 22 25.500 6.674 14.938 1.00 0.00 C ATOM 369 O SER A 22 26.691 6.879 15.185 1.00 0.00 O ATOM 370 CB SER A 22 24.599 5.781 17.119 1.00 0.00 C ATOM 371 OG SER A 22 23.579 5.907 18.099 1.00 0.00 O ATOM 0 H SER A 22 22.639 5.848 15.594 1.00 0.00 H new ATOM 0 HA SER A 22 24.569 7.825 16.465 1.00 0.00 H new ATOM 0 HB2 SER A 22 24.565 4.785 16.677 1.00 0.00 H new ATOM 0 HB3 SER A 22 25.577 5.888 17.589 1.00 0.00 H new ATOM 0 HG SER A 22 23.077 6.735 17.945 1.00 0.00 H new ATOM 377 N GLN A 23 25.069 6.307 13.734 1.00 0.00 N ATOM 378 CA GLN A 23 25.961 6.254 12.577 1.00 0.00 C ATOM 379 C GLN A 23 26.383 7.665 12.203 1.00 0.00 C ATOM 380 O GLN A 23 27.522 7.903 11.810 1.00 0.00 O ATOM 381 CB GLN A 23 25.273 5.583 11.381 1.00 0.00 C ATOM 382 CG GLN A 23 26.152 5.466 10.144 1.00 0.00 C ATOM 383 CD GLN A 23 25.405 4.915 8.944 1.00 0.00 C ATOM 384 OE1 GLN A 23 25.353 3.704 8.729 1.00 0.00 O ATOM 385 NE2 GLN A 23 24.825 5.802 8.147 1.00 0.00 N ATOM 0 H GLN A 23 24.105 6.041 13.533 1.00 0.00 H new ATOM 0 HA GLN A 23 26.838 5.662 12.840 1.00 0.00 H new ATOM 0 HB2 GLN A 23 24.945 4.586 11.676 1.00 0.00 H new ATOM 0 HB3 GLN A 23 24.378 6.150 11.125 1.00 0.00 H new ATOM 0 HG2 GLN A 23 26.555 6.448 9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 23 27.001 4.819 10.366 1.00 0.00 H new ATOM 0 HE21 GLN A 23 24.890 6.798 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 23 24.313 5.489 7.322 1.00 0.00 H new ATOM 394 N GLY A 24 25.444 8.597 12.333 1.00 0.00 N ATOM 395 CA GLY A 24 25.749 9.996 12.103 1.00 0.00 C ATOM 396 C GLY A 24 26.617 10.567 13.204 1.00 0.00 C ATOM 397 O GLY A 24 27.367 11.519 12.988 1.00 0.00 O ATOM 0 H GLY A 24 24.476 8.407 12.594 1.00 0.00 H new ATOM 0 HA2 GLY A 24 26.257 10.105 11.145 1.00 0.00 H new ATOM 0 HA3 GLY A 24 24.822 10.565 12.038 1.00 0.00 H new ATOM 401 N GLU A 25 26.510 9.978 14.390 1.00 0.00 N ATOM 402 CA GLU A 25 27.327 10.378 15.527 1.00 0.00 C ATOM 403 C GLU A 25 28.779 9.955 15.320 1.00 0.00 C ATOM 404 O GLU A 25 29.702 10.754 15.484 1.00 0.00 O ATOM 405 CB GLU A 25 26.793 9.750 16.817 1.00 0.00 C ATOM 406 CG GLU A 25 25.385 10.185 17.188 1.00 0.00 C ATOM 407 CD GLU A 25 25.293 11.664 17.499 1.00 0.00 C ATOM 408 OE1 GLU A 25 25.927 12.110 18.477 1.00 0.00 O ATOM 409 OE2 GLU A 25 24.558 12.380 16.790 1.00 0.00 O ATOM 0 H GLU A 25 25.860 9.217 14.588 1.00 0.00 H new ATOM 0 HA GLU A 25 27.280 11.464 15.610 1.00 0.00 H new ATOM 0 HB2 GLU A 25 26.810 8.665 16.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 27.466 10.002 17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 25 24.708 9.948 16.368 1.00 0.00 H new ATOM 0 HG3 GLU A 25 25.049 9.614 18.054 1.00 0.00 H new ATOM 416 N TYR A 26 28.974 8.693 14.960 1.00 0.00 N ATOM 417 CA TYR A 26 30.312 8.149 14.777 1.00 0.00 C ATOM 418 C TYR A 26 30.844 8.412 13.379 1.00 0.00 C ATOM 419 O TYR A 26 30.101 8.788 12.473 1.00 0.00 O ATOM 420 CB TYR A 26 30.324 6.647 15.055 1.00 0.00 C ATOM 421 CG TYR A 26 30.454 6.315 16.521 1.00 0.00 C ATOM 422 CD1 TYR A 26 31.705 6.265 17.119 1.00 0.00 C ATOM 423 CD2 TYR A 26 29.337 6.063 17.307 1.00 0.00 C ATOM 424 CE1 TYR A 26 31.841 5.969 18.460 1.00 0.00 C ATOM 425 CE2 TYR A 26 29.465 5.768 18.650 1.00 0.00 C ATOM 426 CZ TYR A 26 30.719 5.724 19.223 1.00 0.00 C ATOM 427 OH TYR A 26 30.852 5.432 20.561 1.00 0.00 O ATOM 0 H TYR A 26 28.221 8.027 14.789 1.00 0.00 H new ATOM 0 HA TYR A 26 30.963 8.656 15.489 1.00 0.00 H new ATOM 0 HB2 TYR A 26 29.405 6.205 14.669 1.00 0.00 H new ATOM 0 HB3 TYR A 26 31.150 6.190 14.511 1.00 0.00 H new ATOM 0 HD1 TYR A 26 32.586 6.461 16.526 1.00 0.00 H new ATOM 0 HD2 TYR A 26 28.354 6.098 16.861 1.00 0.00 H new ATOM 0 HE1 TYR A 26 32.822 5.929 18.910 1.00 0.00 H new ATOM 0 HE2 TYR A 26 28.588 5.573 19.249 1.00 0.00 H new ATOM 0 HH TYR A 26 29.966 5.287 20.954 1.00 0.00 H new ATOM 437 N ASP A 27 32.142 8.224 13.219 1.00 0.00 N ATOM 438 CA ASP A 27 32.777 8.368 11.924 1.00 0.00 C ATOM 439 C ASP A 27 32.620 7.095 11.105 1.00 0.00 C ATOM 440 O ASP A 27 32.112 7.120 9.983 1.00 0.00 O ATOM 441 CB ASP A 27 34.259 8.683 12.097 1.00 0.00 C ATOM 442 CG ASP A 27 34.992 8.723 10.775 1.00 0.00 C ATOM 443 OD1 ASP A 27 34.948 9.774 10.101 1.00 0.00 O ATOM 444 OD2 ASP A 27 35.604 7.702 10.395 1.00 0.00 O ATOM 0 H ASP A 27 32.778 7.970 13.975 1.00 0.00 H new ATOM 0 HA ASP A 27 32.292 9.189 11.396 1.00 0.00 H new ATOM 0 HB2 ASP A 27 34.368 9.644 12.600 1.00 0.00 H new ATOM 0 HB3 ASP A 27 34.716 7.932 12.741 1.00 0.00 H new ATOM 449 N SER A 28 33.057 5.986 11.681 1.00 0.00 N ATOM 450 CA SER A 28 33.042 4.706 10.994 1.00 0.00 C ATOM 451 C SER A 28 31.810 3.893 11.388 1.00 0.00 C ATOM 452 O SER A 28 31.489 3.767 12.571 1.00 0.00 O ATOM 453 CB SER A 28 34.320 3.943 11.325 1.00 0.00 C ATOM 454 OG SER A 28 35.462 4.749 11.083 1.00 0.00 O ATOM 0 H SER A 28 33.429 5.948 12.630 1.00 0.00 H new ATOM 0 HA SER A 28 32.994 4.878 9.919 1.00 0.00 H new ATOM 0 HB2 SER A 28 34.303 3.631 12.369 1.00 0.00 H new ATOM 0 HB3 SER A 28 34.374 3.036 10.723 1.00 0.00 H new ATOM 0 HG SER A 28 36.272 4.243 11.303 1.00 0.00 H new ATOM 460 N GLN A 29 31.142 3.340 10.385 1.00 0.00 N ATOM 461 CA GLN A 29 29.887 2.617 10.575 1.00 0.00 C ATOM 462 C GLN A 29 30.064 1.404 11.489 1.00 0.00 C ATOM 463 O GLN A 29 29.244 1.160 12.378 1.00 0.00 O ATOM 464 CB GLN A 29 29.354 2.159 9.219 1.00 0.00 C ATOM 465 CG GLN A 29 27.931 1.635 9.262 1.00 0.00 C ATOM 466 CD GLN A 29 27.502 1.027 7.945 1.00 0.00 C ATOM 467 OE1 GLN A 29 28.312 0.454 7.219 1.00 0.00 O ATOM 468 NE2 GLN A 29 26.231 1.162 7.618 1.00 0.00 N ATOM 0 H GLN A 29 31.453 3.379 9.414 1.00 0.00 H new ATOM 0 HA GLN A 29 29.178 3.295 11.051 1.00 0.00 H new ATOM 0 HB2 GLN A 29 29.402 2.994 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 29 30.006 1.378 8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 29 27.846 0.887 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 29 27.254 2.449 9.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 25.591 1.644 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 29 25.889 0.784 6.735 1.00 0.00 H new ATOM 477 N TRP A 30 31.140 0.649 11.269 1.00 0.00 N ATOM 478 CA TRP A 30 31.390 -0.575 12.030 1.00 0.00 C ATOM 479 C TRP A 30 31.495 -0.287 13.528 1.00 0.00 C ATOM 480 O TRP A 30 31.164 -1.140 14.355 1.00 0.00 O ATOM 481 CB TRP A 30 32.664 -1.284 11.537 1.00 0.00 C ATOM 482 CG TRP A 30 33.938 -0.546 11.840 1.00 0.00 C ATOM 483 CD1 TRP A 30 34.514 0.445 11.098 1.00 0.00 C ATOM 484 CD2 TRP A 30 34.799 -0.754 12.967 1.00 0.00 C ATOM 485 NE1 TRP A 30 35.672 0.873 11.701 1.00 0.00 N ATOM 486 CE2 TRP A 30 35.870 0.149 12.845 1.00 0.00 C ATOM 487 CE3 TRP A 30 34.767 -1.617 14.068 1.00 0.00 C ATOM 488 CZ2 TRP A 30 36.896 0.219 13.782 1.00 0.00 C ATOM 489 CZ3 TRP A 30 35.790 -1.548 14.995 1.00 0.00 C ATOM 490 CH2 TRP A 30 36.841 -0.637 14.846 1.00 0.00 C ATOM 0 H TRP A 30 31.852 0.863 10.571 1.00 0.00 H new ATOM 0 HA TRP A 30 30.539 -1.237 11.867 1.00 0.00 H new ATOM 0 HB2 TRP A 30 32.714 -2.274 11.991 1.00 0.00 H new ATOM 0 HB3 TRP A 30 32.590 -1.431 10.459 1.00 0.00 H new ATOM 0 HD1 TRP A 30 34.117 0.835 10.172 1.00 0.00 H new ATOM 0 HE1 TRP A 30 36.284 1.610 11.353 1.00 0.00 H new ATOM 0 HE3 TRP A 30 33.959 -2.323 14.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 37.707 0.924 13.673 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 35.778 -2.209 15.849 1.00 0.00 H new ATOM 0 HH2 TRP A 30 37.626 -0.609 15.588 1.00 0.00 H new ATOM 501 N ALA A 31 31.930 0.922 13.869 1.00 0.00 N ATOM 502 CA ALA A 31 32.114 1.312 15.262 1.00 0.00 C ATOM 503 C ALA A 31 30.773 1.411 15.978 1.00 0.00 C ATOM 504 O ALA A 31 30.675 1.151 17.178 1.00 0.00 O ATOM 505 CB ALA A 31 32.867 2.631 15.344 1.00 0.00 C ATOM 0 H ALA A 31 32.163 1.652 13.195 1.00 0.00 H new ATOM 0 HA ALA A 31 32.705 0.544 15.761 1.00 0.00 H new ATOM 0 HB1 ALA A 31 32.998 2.911 16.389 1.00 0.00 H new ATOM 0 HB2 ALA A 31 33.844 2.522 14.873 1.00 0.00 H new ATOM 0 HB3 ALA A 31 32.300 3.406 14.829 1.00 0.00 H new ATOM 511 N THR A 32 29.742 1.778 15.235 1.00 0.00 N ATOM 512 CA THR A 32 28.399 1.867 15.784 1.00 0.00 C ATOM 513 C THR A 32 27.756 0.482 15.853 1.00 0.00 C ATOM 514 O THR A 32 27.159 0.102 16.863 1.00 0.00 O ATOM 515 CB THR A 32 27.521 2.791 14.919 1.00 0.00 C ATOM 516 OG1 THR A 32 28.197 4.034 14.693 1.00 0.00 O ATOM 517 CG2 THR A 32 26.180 3.053 15.585 1.00 0.00 C ATOM 0 H THR A 32 29.810 2.020 14.246 1.00 0.00 H new ATOM 0 HA THR A 32 28.474 2.280 16.790 1.00 0.00 H new ATOM 0 HB THR A 32 27.340 2.293 13.966 1.00 0.00 H new ATOM 0 HG1 THR A 32 28.429 4.441 15.554 1.00 0.00 H new ATOM 0 HG21 THR A 32 25.581 3.708 14.952 1.00 0.00 H new ATOM 0 HG22 THR A 32 25.655 2.109 15.730 1.00 0.00 H new ATOM 0 HG23 THR A 32 26.341 3.530 16.552 1.00 0.00 H new ATOM 525 N ILE A 33 27.919 -0.274 14.776 1.00 0.00 N ATOM 526 CA ILE A 33 27.289 -1.581 14.631 1.00 0.00 C ATOM 527 C ILE A 33 27.735 -2.560 15.719 1.00 0.00 C ATOM 528 O ILE A 33 26.903 -3.229 16.338 1.00 0.00 O ATOM 529 CB ILE A 33 27.579 -2.167 13.232 1.00 0.00 C ATOM 530 CG1 ILE A 33 26.925 -1.280 12.168 1.00 0.00 C ATOM 531 CG2 ILE A 33 27.083 -3.603 13.119 1.00 0.00 C ATOM 532 CD1 ILE A 33 27.168 -1.731 10.746 1.00 0.00 C ATOM 0 H ILE A 33 28.491 0.001 13.978 1.00 0.00 H new ATOM 0 HA ILE A 33 26.215 -1.436 14.743 1.00 0.00 H new ATOM 0 HB ILE A 33 28.657 -2.185 13.075 1.00 0.00 H new ATOM 0 HG12 ILE A 33 25.850 -1.249 12.348 1.00 0.00 H new ATOM 0 HG13 ILE A 33 27.297 -0.262 12.282 1.00 0.00 H new ATOM 0 HG21 ILE A 33 27.302 -3.986 12.122 1.00 0.00 H new ATOM 0 HG22 ILE A 33 27.584 -4.221 13.864 1.00 0.00 H new ATOM 0 HG23 ILE A 33 26.007 -3.631 13.290 1.00 0.00 H new ATOM 0 HD11 ILE A 33 26.670 -1.048 10.058 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.239 -1.734 10.543 1.00 0.00 H new ATOM 0 HD13 ILE A 33 26.770 -2.737 10.610 1.00 0.00 H new ATOM 544 N CYS A 34 29.036 -2.618 15.982 1.00 0.00 N ATOM 545 CA CYS A 34 29.570 -3.568 16.959 1.00 0.00 C ATOM 546 C CYS A 34 29.172 -3.194 18.391 1.00 0.00 C ATOM 547 O CYS A 34 29.373 -3.970 19.325 1.00 0.00 O ATOM 548 CB CYS A 34 31.092 -3.656 16.842 1.00 0.00 C ATOM 549 SG CYS A 34 31.941 -2.074 17.041 1.00 0.00 S ATOM 0 H CYS A 34 29.737 -2.025 15.538 1.00 0.00 H new ATOM 0 HA CYS A 34 29.137 -4.543 16.737 1.00 0.00 H new ATOM 0 HB2 CYS A 34 31.464 -4.352 17.594 1.00 0.00 H new ATOM 0 HB3 CYS A 34 31.347 -4.073 15.868 1.00 0.00 H new ATOM 0 HG CYS A 34 31.704 -1.321 16.008 1.00 0.00 H new ATOM 555 N SER A 35 28.601 -2.011 18.559 1.00 0.00 N ATOM 556 CA SER A 35 28.183 -1.548 19.871 1.00 0.00 C ATOM 557 C SER A 35 26.685 -1.783 20.079 1.00 0.00 C ATOM 558 O SER A 35 26.180 -1.702 21.199 1.00 0.00 O ATOM 559 CB SER A 35 28.529 -0.060 20.029 1.00 0.00 C ATOM 560 OG SER A 35 28.190 0.422 21.321 1.00 0.00 O ATOM 0 H SER A 35 28.417 -1.354 17.801 1.00 0.00 H new ATOM 0 HA SER A 35 28.717 -2.117 20.632 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.595 0.087 19.854 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.999 0.520 19.273 1.00 0.00 H new ATOM 0 HG SER A 35 27.500 -0.152 21.714 1.00 0.00 H new ATOM 566 N ILE A 36 25.974 -2.091 19.003 1.00 0.00 N ATOM 567 CA ILE A 36 24.528 -2.267 19.079 1.00 0.00 C ATOM 568 C ILE A 36 24.132 -3.737 18.924 1.00 0.00 C ATOM 569 O ILE A 36 23.197 -4.207 19.578 1.00 0.00 O ATOM 570 CB ILE A 36 23.802 -1.413 18.013 1.00 0.00 C ATOM 571 CG1 ILE A 36 24.129 0.069 18.215 1.00 0.00 C ATOM 572 CG2 ILE A 36 22.299 -1.639 18.070 1.00 0.00 C ATOM 573 CD1 ILE A 36 23.455 0.984 17.216 1.00 0.00 C ATOM 0 H ILE A 36 26.370 -2.224 18.073 1.00 0.00 H new ATOM 0 HA ILE A 36 24.219 -1.929 20.068 1.00 0.00 H new ATOM 0 HB ILE A 36 24.152 -1.720 17.028 1.00 0.00 H new ATOM 0 HG12 ILE A 36 23.832 0.363 19.222 1.00 0.00 H new ATOM 0 HG13 ILE A 36 25.208 0.206 18.149 1.00 0.00 H new ATOM 0 HG21 ILE A 36 21.810 -1.028 17.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 22.082 -2.691 17.884 1.00 0.00 H new ATOM 0 HG23 ILE A 36 21.926 -1.360 19.056 1.00 0.00 H new ATOM 0 HD11 ILE A 36 23.734 2.017 17.423 1.00 0.00 H new ATOM 0 HD12 ILE A 36 23.771 0.717 16.207 1.00 0.00 H new ATOM 0 HD13 ILE A 36 22.373 0.877 17.297 1.00 0.00 H new ATOM 585 N ALA A 37 24.865 -4.457 18.077 1.00 0.00 N ATOM 586 CA ALA A 37 24.569 -5.863 17.785 1.00 0.00 C ATOM 587 C ALA A 37 24.451 -6.720 19.056 1.00 0.00 C ATOM 588 O ALA A 37 23.435 -7.395 19.249 1.00 0.00 O ATOM 589 CB ALA A 37 25.616 -6.441 16.835 1.00 0.00 C ATOM 0 H ALA A 37 25.674 -4.089 17.577 1.00 0.00 H new ATOM 0 HA ALA A 37 23.594 -5.891 17.299 1.00 0.00 H new ATOM 0 HB1 ALA A 37 25.382 -7.485 16.628 1.00 0.00 H new ATOM 0 HB2 ALA A 37 25.612 -5.877 15.903 1.00 0.00 H new ATOM 0 HB3 ALA A 37 26.602 -6.374 17.296 1.00 0.00 H new ATOM 595 N PRO A 38 25.459 -6.705 19.960 1.00 0.00 N ATOM 596 CA PRO A 38 25.418 -7.519 21.179 1.00 0.00 C ATOM 597 C PRO A 38 24.400 -7.006 22.195 1.00 0.00 C ATOM 598 O PRO A 38 24.068 -7.697 23.158 1.00 0.00 O ATOM 599 CB PRO A 38 26.836 -7.403 21.738 1.00 0.00 C ATOM 600 CG PRO A 38 27.338 -6.099 21.225 1.00 0.00 C ATOM 601 CD PRO A 38 26.714 -5.921 19.873 1.00 0.00 C ATOM 0 HA PRO A 38 25.112 -8.543 20.967 1.00 0.00 H new ATOM 0 HB2 PRO A 38 26.835 -7.426 22.828 1.00 0.00 H new ATOM 0 HB3 PRO A 38 27.463 -8.229 21.402 1.00 0.00 H new ATOM 0 HG2 PRO A 38 27.061 -5.284 21.893 1.00 0.00 H new ATOM 0 HG3 PRO A 38 28.426 -6.099 21.156 1.00 0.00 H new ATOM 0 HD2 PRO A 38 26.516 -4.871 19.658 1.00 0.00 H new ATOM 0 HD3 PRO A 38 27.364 -6.292 19.080 1.00 0.00 H new ATOM 609 N LYS A 39 23.903 -5.797 21.972 1.00 0.00 N ATOM 610 CA LYS A 39 22.926 -5.196 22.869 1.00 0.00 C ATOM 611 C LYS A 39 21.521 -5.690 22.538 1.00 0.00 C ATOM 612 O LYS A 39 20.704 -5.909 23.432 1.00 0.00 O ATOM 613 CB LYS A 39 22.996 -3.664 22.797 1.00 0.00 C ATOM 614 CG LYS A 39 21.843 -2.959 23.502 1.00 0.00 C ATOM 615 CD LYS A 39 22.144 -1.492 23.782 1.00 0.00 C ATOM 616 CE LYS A 39 22.671 -0.759 22.557 1.00 0.00 C ATOM 617 NZ LYS A 39 24.130 -0.488 22.667 1.00 0.00 N ATOM 0 H LYS A 39 24.161 -5.213 21.177 1.00 0.00 H new ATOM 0 HA LYS A 39 23.163 -5.499 23.889 1.00 0.00 H new ATOM 0 HB2 LYS A 39 23.936 -3.332 23.238 1.00 0.00 H new ATOM 0 HB3 LYS A 39 23.010 -3.360 21.750 1.00 0.00 H new ATOM 0 HG2 LYS A 39 20.946 -3.032 22.888 1.00 0.00 H new ATOM 0 HG3 LYS A 39 21.629 -3.469 24.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.237 -0.999 24.133 1.00 0.00 H new ATOM 0 HD3 LYS A 39 22.877 -1.422 24.586 1.00 0.00 H new ATOM 0 HE2 LYS A 39 22.477 -1.354 21.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 22.134 0.182 22.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 24.318 0.506 22.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 24.445 -0.674 23.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 24.648 -1.107 22.011 1.00 0.00 H new ATOM 631 N ILE A 40 21.252 -5.876 21.254 1.00 0.00 N ATOM 632 CA ILE A 40 19.953 -6.374 20.816 1.00 0.00 C ATOM 633 C ILE A 40 19.910 -7.897 20.896 1.00 0.00 C ATOM 634 O ILE A 40 19.003 -8.475 21.500 1.00 0.00 O ATOM 635 CB ILE A 40 19.631 -5.933 19.370 1.00 0.00 C ATOM 636 CG1 ILE A 40 19.657 -4.406 19.263 1.00 0.00 C ATOM 637 CG2 ILE A 40 18.276 -6.477 18.929 1.00 0.00 C ATOM 638 CD1 ILE A 40 19.418 -3.892 17.861 1.00 0.00 C ATOM 0 H ILE A 40 21.912 -5.691 20.499 1.00 0.00 H new ATOM 0 HA ILE A 40 19.204 -5.948 21.484 1.00 0.00 H new ATOM 0 HB ILE A 40 20.394 -6.342 18.707 1.00 0.00 H new ATOM 0 HG12 ILE A 40 18.899 -3.991 19.927 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.622 -4.042 19.615 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.069 -6.155 17.908 1.00 0.00 H new ATOM 0 HG22 ILE A 40 18.290 -7.566 18.970 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.499 -6.099 19.593 1.00 0.00 H new ATOM 0 HD11 ILE A 40 19.451 -2.802 17.862 1.00 0.00 H new ATOM 0 HD12 ILE A 40 20.191 -4.277 17.196 1.00 0.00 H new ATOM 0 HD13 ILE A 40 18.440 -4.225 17.513 1.00 0.00 H new ATOM 650 N GLY A 41 20.901 -8.541 20.292 1.00 0.00 N ATOM 651 CA GLY A 41 20.948 -9.989 20.280 1.00 0.00 C ATOM 652 C GLY A 41 21.228 -10.534 18.898 1.00 0.00 C ATOM 653 O GLY A 41 20.547 -11.448 18.429 1.00 0.00 O ATOM 0 H GLY A 41 21.675 -8.084 19.809 1.00 0.00 H new ATOM 0 HA2 GLY A 41 21.720 -10.333 20.969 1.00 0.00 H new ATOM 0 HA3 GLY A 41 19.999 -10.386 20.641 1.00 0.00 H new ATOM 657 N CYS A 42 22.222 -9.962 18.241 1.00 0.00 N ATOM 658 CA CYS A 42 22.608 -10.396 16.912 1.00 0.00 C ATOM 659 C CYS A 42 24.111 -10.229 16.733 1.00 0.00 C ATOM 660 O CYS A 42 24.783 -9.645 17.585 1.00 0.00 O ATOM 661 CB CYS A 42 21.851 -9.595 15.849 1.00 0.00 C ATOM 662 SG CYS A 42 22.039 -7.802 15.994 1.00 0.00 S ATOM 0 H CYS A 42 22.779 -9.191 18.610 1.00 0.00 H new ATOM 0 HA CYS A 42 22.352 -11.449 16.794 1.00 0.00 H new ATOM 0 HB2 CYS A 42 22.195 -9.906 14.863 1.00 0.00 H new ATOM 0 HB3 CYS A 42 20.791 -9.844 15.910 1.00 0.00 H new ATOM 0 HG CYS A 42 21.196 -7.212 15.200 1.00 0.00 H new ATOM 668 N THR A 43 24.638 -10.741 15.633 1.00 0.00 N ATOM 669 CA THR A 43 26.059 -10.625 15.360 1.00 0.00 C ATOM 670 C THR A 43 26.345 -9.321 14.624 1.00 0.00 C ATOM 671 O THR A 43 25.438 -8.735 14.024 1.00 0.00 O ATOM 672 CB THR A 43 26.573 -11.814 14.518 1.00 0.00 C ATOM 673 OG1 THR A 43 26.011 -11.766 13.200 1.00 0.00 O ATOM 674 CG2 THR A 43 26.214 -13.137 15.175 1.00 0.00 C ATOM 0 H THR A 43 24.106 -11.238 14.919 1.00 0.00 H new ATOM 0 HA THR A 43 26.581 -10.632 16.317 1.00 0.00 H new ATOM 0 HB THR A 43 27.658 -11.738 14.453 1.00 0.00 H new ATOM 0 HG1 THR A 43 26.344 -12.523 12.675 1.00 0.00 H new ATOM 0 HG21 THR A 43 26.586 -13.959 14.564 1.00 0.00 H new ATOM 0 HG22 THR A 43 26.667 -13.186 16.165 1.00 0.00 H new ATOM 0 HG23 THR A 43 25.131 -13.215 15.268 1.00 0.00 H new ATOM 682 N PRO A 44 27.597 -8.835 14.669 1.00 0.00 N ATOM 683 CA PRO A 44 28.009 -7.649 13.912 1.00 0.00 C ATOM 684 C PRO A 44 27.683 -7.797 12.427 1.00 0.00 C ATOM 685 O PRO A 44 27.322 -6.831 11.758 1.00 0.00 O ATOM 686 CB PRO A 44 29.523 -7.590 14.131 1.00 0.00 C ATOM 687 CG PRO A 44 29.749 -8.307 15.415 1.00 0.00 C ATOM 688 CD PRO A 44 28.702 -9.385 15.478 1.00 0.00 C ATOM 0 HA PRO A 44 27.494 -6.745 14.238 1.00 0.00 H new ATOM 0 HB2 PRO A 44 30.060 -8.067 13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 44 29.875 -6.560 14.186 1.00 0.00 H new ATOM 0 HG2 PRO A 44 30.751 -8.734 15.452 1.00 0.00 H new ATOM 0 HG3 PRO A 44 29.660 -7.627 16.262 1.00 0.00 H new ATOM 0 HD2 PRO A 44 29.069 -10.326 15.070 1.00 0.00 H new ATOM 0 HD3 PRO A 44 28.390 -9.583 16.503 1.00 0.00 H new ATOM 696 N GLU A 45 27.790 -9.027 11.936 1.00 0.00 N ATOM 697 CA GLU A 45 27.455 -9.345 10.557 1.00 0.00 C ATOM 698 C GLU A 45 25.964 -9.149 10.312 1.00 0.00 C ATOM 699 O GLU A 45 25.567 -8.450 9.380 1.00 0.00 O ATOM 700 CB GLU A 45 27.841 -10.791 10.249 1.00 0.00 C ATOM 701 CG GLU A 45 27.512 -11.225 8.831 1.00 0.00 C ATOM 702 CD GLU A 45 27.761 -12.698 8.610 1.00 0.00 C ATOM 703 OE1 GLU A 45 28.937 -13.086 8.467 1.00 0.00 O ATOM 704 OE2 GLU A 45 26.779 -13.473 8.590 1.00 0.00 O ATOM 0 H GLU A 45 28.110 -9.827 12.482 1.00 0.00 H new ATOM 0 HA GLU A 45 28.010 -8.674 9.901 1.00 0.00 H new ATOM 0 HB2 GLU A 45 28.911 -10.916 10.418 1.00 0.00 H new ATOM 0 HB3 GLU A 45 27.329 -11.451 10.949 1.00 0.00 H new ATOM 0 HG2 GLU A 45 26.467 -10.999 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 45 28.113 -10.648 8.128 1.00 0.00 H new ATOM 711 N THR A 46 25.151 -9.764 11.165 1.00 0.00 N ATOM 712 CA THR A 46 23.700 -9.704 11.038 1.00 0.00 C ATOM 713 C THR A 46 23.197 -8.261 11.030 1.00 0.00 C ATOM 714 O THR A 46 22.329 -7.902 10.234 1.00 0.00 O ATOM 715 CB THR A 46 23.016 -10.483 12.181 1.00 0.00 C ATOM 716 OG1 THR A 46 23.519 -11.826 12.221 1.00 0.00 O ATOM 717 CG2 THR A 46 21.507 -10.516 11.997 1.00 0.00 C ATOM 0 H THR A 46 25.477 -10.315 11.959 1.00 0.00 H new ATOM 0 HA THR A 46 23.442 -10.165 10.085 1.00 0.00 H new ATOM 0 HB THR A 46 23.239 -9.974 13.118 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.337 -11.853 12.760 1.00 0.00 H new ATOM 0 HG21 THR A 46 21.053 -11.072 12.817 1.00 0.00 H new ATOM 0 HG22 THR A 46 21.119 -9.497 11.990 1.00 0.00 H new ATOM 0 HG23 THR A 46 21.266 -11.003 11.052 1.00 0.00 H new ATOM 725 N LEU A 47 23.757 -7.430 11.899 1.00 0.00 N ATOM 726 CA LEU A 47 23.339 -6.040 11.979 1.00 0.00 C ATOM 727 C LEU A 47 23.757 -5.277 10.723 1.00 0.00 C ATOM 728 O LEU A 47 23.019 -4.421 10.236 1.00 0.00 O ATOM 729 CB LEU A 47 23.907 -5.372 13.232 1.00 0.00 C ATOM 730 CG LEU A 47 23.335 -3.985 13.545 1.00 0.00 C ATOM 731 CD1 LEU A 47 21.824 -4.049 13.712 1.00 0.00 C ATOM 732 CD2 LEU A 47 23.976 -3.413 14.798 1.00 0.00 C ATOM 0 H LEU A 47 24.495 -7.692 12.552 1.00 0.00 H new ATOM 0 HA LEU A 47 22.251 -6.017 12.046 1.00 0.00 H new ATOM 0 HB2 LEU A 47 23.726 -6.024 14.086 1.00 0.00 H new ATOM 0 HB3 LEU A 47 24.988 -5.286 13.121 1.00 0.00 H new ATOM 0 HG LEU A 47 23.563 -3.329 12.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 21.440 -3.053 13.934 1.00 0.00 H new ATOM 0 HD12 LEU A 47 21.371 -4.416 12.791 1.00 0.00 H new ATOM 0 HD13 LEU A 47 21.577 -4.724 14.531 1.00 0.00 H new ATOM 0 HD21 LEU A 47 23.557 -2.428 15.004 1.00 0.00 H new ATOM 0 HD22 LEU A 47 23.779 -4.075 15.642 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.052 -3.325 14.649 1.00 0.00 H new ATOM 744 N ARG A 48 24.935 -5.595 10.186 1.00 0.00 N ATOM 745 CA ARG A 48 25.373 -4.997 8.926 1.00 0.00 C ATOM 746 C ARG A 48 24.405 -5.356 7.808 1.00 0.00 C ATOM 747 O ARG A 48 24.074 -4.518 6.968 1.00 0.00 O ATOM 748 CB ARG A 48 26.784 -5.449 8.535 1.00 0.00 C ATOM 749 CG ARG A 48 27.882 -4.905 9.427 1.00 0.00 C ATOM 750 CD ARG A 48 29.234 -4.936 8.732 1.00 0.00 C ATOM 751 NE ARG A 48 29.271 -4.037 7.573 1.00 0.00 N ATOM 752 CZ ARG A 48 30.246 -3.156 7.335 1.00 0.00 C ATOM 753 NH1 ARG A 48 31.288 -3.074 8.154 1.00 0.00 N ATOM 754 NH2 ARG A 48 30.185 -2.367 6.268 1.00 0.00 N ATOM 0 H ARG A 48 25.595 -6.255 10.598 1.00 0.00 H new ATOM 0 HA ARG A 48 25.390 -3.917 9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 48 26.822 -6.538 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.980 -5.141 7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.644 -3.881 9.715 1.00 0.00 H new ATOM 0 HG3 ARG A 48 27.930 -5.491 10.345 1.00 0.00 H new ATOM 0 HD2 ARG A 48 30.013 -4.650 9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 48 29.454 -5.954 8.410 1.00 0.00 H new ATOM 0 HE ARG A 48 28.502 -4.088 6.905 1.00 0.00 H new ATOM 0 HH11 ARG A 48 31.346 -3.685 8.968 1.00 0.00 H new ATOM 0 HH12 ARG A 48 32.031 -2.400 7.969 1.00 0.00 H new ATOM 0 HH21 ARG A 48 29.393 -2.434 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 48 30.930 -1.695 6.088 1.00 0.00 H new ATOM 768 N VAL A 49 23.948 -6.605 7.809 1.00 0.00 N ATOM 769 CA VAL A 49 22.991 -7.074 6.814 1.00 0.00 C ATOM 770 C VAL A 49 21.698 -6.267 6.886 1.00 0.00 C ATOM 771 O VAL A 49 21.164 -5.851 5.861 1.00 0.00 O ATOM 772 CB VAL A 49 22.665 -8.575 6.996 1.00 0.00 C ATOM 773 CG1 VAL A 49 21.618 -9.033 5.989 1.00 0.00 C ATOM 774 CG2 VAL A 49 23.925 -9.417 6.869 1.00 0.00 C ATOM 0 H VAL A 49 24.226 -7.311 8.490 1.00 0.00 H new ATOM 0 HA VAL A 49 23.454 -6.936 5.837 1.00 0.00 H new ATOM 0 HB VAL A 49 22.256 -8.710 7.997 1.00 0.00 H new ATOM 0 HG11 VAL A 49 21.407 -10.092 6.139 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.703 -8.458 6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 49 21.993 -8.878 4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 49 23.674 -10.470 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 49 24.364 -9.269 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 49 24.642 -9.117 7.633 1.00 0.00 H new ATOM 784 N TRP A 50 21.213 -6.028 8.098 1.00 0.00 N ATOM 785 CA TRP A 50 19.983 -5.268 8.294 1.00 0.00 C ATOM 786 C TRP A 50 20.125 -3.833 7.796 1.00 0.00 C ATOM 787 O TRP A 50 19.224 -3.304 7.144 1.00 0.00 O ATOM 788 CB TRP A 50 19.565 -5.276 9.766 1.00 0.00 C ATOM 789 CG TRP A 50 19.064 -6.607 10.235 1.00 0.00 C ATOM 790 CD1 TRP A 50 18.568 -7.614 9.459 1.00 0.00 C ATOM 791 CD2 TRP A 50 18.988 -7.068 11.587 1.00 0.00 C ATOM 792 NE1 TRP A 50 18.198 -8.676 10.245 1.00 0.00 N ATOM 793 CE2 TRP A 50 18.447 -8.366 11.556 1.00 0.00 C ATOM 794 CE3 TRP A 50 19.331 -6.512 12.821 1.00 0.00 C ATOM 795 CZ2 TRP A 50 18.238 -9.113 12.712 1.00 0.00 C ATOM 796 CZ3 TRP A 50 19.126 -7.254 13.966 1.00 0.00 C ATOM 797 CH2 TRP A 50 18.584 -8.543 13.905 1.00 0.00 C ATOM 0 H TRP A 50 21.652 -6.349 8.961 1.00 0.00 H new ATOM 0 HA TRP A 50 19.205 -5.755 7.706 1.00 0.00 H new ATOM 0 HB2 TRP A 50 20.416 -4.980 10.379 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.786 -4.529 9.919 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.480 -7.580 8.383 1.00 0.00 H new ATOM 0 HE1 TRP A 50 17.802 -9.554 9.908 1.00 0.00 H new ATOM 0 HE3 TRP A 50 19.750 -5.518 12.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 17.818 -10.107 12.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 19.388 -6.833 14.925 1.00 0.00 H new ATOM 0 HH2 TRP A 50 18.436 -9.099 14.819 1.00 0.00 H new ATOM 808 N VAL A 51 21.255 -3.205 8.098 1.00 0.00 N ATOM 809 CA VAL A 51 21.512 -1.848 7.629 1.00 0.00 C ATOM 810 C VAL A 51 21.588 -1.822 6.106 1.00 0.00 C ATOM 811 O VAL A 51 20.969 -0.976 5.456 1.00 0.00 O ATOM 812 CB VAL A 51 22.818 -1.270 8.220 1.00 0.00 C ATOM 813 CG1 VAL A 51 23.056 0.151 7.722 1.00 0.00 C ATOM 814 CG2 VAL A 51 22.777 -1.300 9.742 1.00 0.00 C ATOM 0 H VAL A 51 22.003 -3.609 8.661 1.00 0.00 H new ATOM 0 HA VAL A 51 20.684 -1.226 7.969 1.00 0.00 H new ATOM 0 HB VAL A 51 23.647 -1.893 7.884 1.00 0.00 H new ATOM 0 HG11 VAL A 51 23.981 0.537 8.151 1.00 0.00 H new ATOM 0 HG12 VAL A 51 23.134 0.147 6.635 1.00 0.00 H new ATOM 0 HG13 VAL A 51 22.223 0.786 8.023 1.00 0.00 H new ATOM 0 HG21 VAL A 51 23.705 -0.889 10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 51 21.936 -0.704 10.095 1.00 0.00 H new ATOM 0 HG23 VAL A 51 22.661 -2.329 10.083 1.00 0.00 H new ATOM 824 N ARG A 52 22.326 -2.774 5.545 1.00 0.00 N ATOM 825 CA ARG A 52 22.455 -2.899 4.099 1.00 0.00 C ATOM 826 C ARG A 52 21.087 -3.143 3.463 1.00 0.00 C ATOM 827 O ARG A 52 20.772 -2.601 2.401 1.00 0.00 O ATOM 828 CB ARG A 52 23.410 -4.049 3.757 1.00 0.00 C ATOM 829 CG ARG A 52 23.590 -4.285 2.267 1.00 0.00 C ATOM 830 CD ARG A 52 24.522 -5.453 2.000 1.00 0.00 C ATOM 831 NE ARG A 52 24.629 -5.742 0.573 1.00 0.00 N ATOM 832 CZ ARG A 52 25.641 -6.400 0.016 1.00 0.00 C ATOM 833 NH1 ARG A 52 26.637 -6.852 0.767 1.00 0.00 N ATOM 834 NH2 ARG A 52 25.652 -6.611 -1.293 1.00 0.00 N ATOM 0 H ARG A 52 22.846 -3.474 6.074 1.00 0.00 H new ATOM 0 HA ARG A 52 22.862 -1.970 3.701 1.00 0.00 H new ATOM 0 HB2 ARG A 52 24.384 -3.842 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.038 -4.965 4.216 1.00 0.00 H new ATOM 0 HG2 ARG A 52 22.621 -4.479 1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 52 23.989 -3.385 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 52 25.510 -5.229 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 52 24.158 -6.337 2.524 1.00 0.00 H new ATOM 0 HE ARG A 52 23.878 -5.418 -0.037 1.00 0.00 H new ATOM 0 HH11 ARG A 52 26.628 -6.695 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 52 27.412 -7.357 0.337 1.00 0.00 H new ATOM 0 HH21 ARG A 52 24.885 -6.269 -1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 52 26.428 -7.116 -1.722 1.00 0.00 H new ATOM 848 N GLN A 53 20.275 -3.950 4.139 1.00 0.00 N ATOM 849 CA GLN A 53 18.935 -4.277 3.667 1.00 0.00 C ATOM 850 C GLN A 53 18.019 -3.059 3.722 1.00 0.00 C ATOM 851 O GLN A 53 17.136 -2.896 2.882 1.00 0.00 O ATOM 852 CB GLN A 53 18.337 -5.412 4.507 1.00 0.00 C ATOM 853 CG GLN A 53 16.945 -5.834 4.062 1.00 0.00 C ATOM 854 CD GLN A 53 16.941 -6.496 2.697 1.00 0.00 C ATOM 855 OE1 GLN A 53 17.889 -7.189 2.324 1.00 0.00 O ATOM 856 NE2 GLN A 53 15.892 -6.257 1.926 1.00 0.00 N ATOM 0 H GLN A 53 20.525 -4.393 5.023 1.00 0.00 H new ATOM 0 HA GLN A 53 19.017 -4.600 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.001 -6.275 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.296 -5.097 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.527 -6.523 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 53 16.295 -4.959 4.039 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.127 -5.678 2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.849 -6.652 0.987 1.00 0.00 H new ATOM 865 N HIS A 54 18.222 -2.202 4.713 1.00 0.00 N ATOM 866 CA HIS A 54 17.396 -1.010 4.848 1.00 0.00 C ATOM 867 C HIS A 54 17.603 -0.099 3.649 1.00 0.00 C ATOM 868 O HIS A 54 16.647 0.427 3.086 1.00 0.00 O ATOM 869 CB HIS A 54 17.717 -0.262 6.139 1.00 0.00 C ATOM 870 CG HIS A 54 16.588 0.599 6.623 1.00 0.00 C ATOM 871 ND1 HIS A 54 16.558 1.972 6.478 1.00 0.00 N ATOM 872 CD2 HIS A 54 15.445 0.269 7.269 1.00 0.00 C ATOM 873 CE1 HIS A 54 15.447 2.443 7.014 1.00 0.00 C ATOM 874 NE2 HIS A 54 14.757 1.431 7.498 1.00 0.00 N ATOM 0 H HIS A 54 18.942 -2.307 5.427 1.00 0.00 H new ATOM 0 HA HIS A 54 16.352 -1.320 4.889 1.00 0.00 H new ATOM 0 HB2 HIS A 54 17.973 -0.984 6.915 1.00 0.00 H new ATOM 0 HB3 HIS A 54 18.597 0.361 5.980 1.00 0.00 H new ATOM 0 HD2 HIS A 54 15.133 -0.726 7.551 1.00 0.00 H new ATOM 0 HE1 HIS A 54 15.154 3.482 7.049 1.00 0.00 H new ATOM 0 HE2 HIS A 54 13.855 1.501 7.968 1.00 0.00 H new ATOM 883 N GLU A 55 18.857 0.057 3.251 1.00 0.00 N ATOM 884 CA GLU A 55 19.200 0.824 2.059 1.00 0.00 C ATOM 885 C GLU A 55 18.657 0.129 0.814 1.00 0.00 C ATOM 886 O GLU A 55 18.214 0.771 -0.135 1.00 0.00 O ATOM 887 CB GLU A 55 20.717 0.956 1.952 1.00 0.00 C ATOM 888 CG GLU A 55 21.354 1.620 3.159 1.00 0.00 C ATOM 889 CD GLU A 55 21.023 3.092 3.260 1.00 0.00 C ATOM 890 OE1 GLU A 55 19.882 3.430 3.634 1.00 0.00 O ATOM 891 OE2 GLU A 55 21.909 3.924 2.961 1.00 0.00 O ATOM 0 H GLU A 55 19.660 -0.340 3.739 1.00 0.00 H new ATOM 0 HA GLU A 55 18.754 1.816 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 55 21.152 -0.035 1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 55 20.962 1.532 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 55 21.020 1.114 4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.436 1.498 3.106 1.00 0.00 H new ATOM 898 N ARG A 56 18.692 -1.196 0.847 1.00 0.00 N ATOM 899 CA ARG A 56 18.204 -2.030 -0.246 1.00 0.00 C ATOM 900 C ARG A 56 16.717 -1.768 -0.513 1.00 0.00 C ATOM 901 O ARG A 56 16.271 -1.765 -1.661 1.00 0.00 O ATOM 902 CB ARG A 56 18.432 -3.497 0.126 1.00 0.00 C ATOM 903 CG ARG A 56 18.195 -4.497 -0.990 1.00 0.00 C ATOM 904 CD ARG A 56 18.436 -5.908 -0.478 1.00 0.00 C ATOM 905 NE ARG A 56 18.443 -6.917 -1.534 1.00 0.00 N ATOM 906 CZ ARG A 56 18.474 -8.233 -1.298 1.00 0.00 C ATOM 907 NH1 ARG A 56 18.408 -8.693 -0.049 1.00 0.00 N ATOM 908 NH2 ARG A 56 18.563 -9.087 -2.309 1.00 0.00 N ATOM 0 H ARG A 56 19.061 -1.727 1.636 1.00 0.00 H new ATOM 0 HA ARG A 56 18.747 -1.789 -1.160 1.00 0.00 H new ATOM 0 HB2 ARG A 56 19.457 -3.609 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 56 17.778 -3.748 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.175 -4.405 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 56 18.860 -4.286 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.390 -5.937 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.664 -6.159 0.249 1.00 0.00 H new ATOM 0 HE ARG A 56 18.423 -6.601 -2.504 1.00 0.00 H new ATOM 0 HH11 ARG A 56 18.333 -8.041 0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 56 18.432 -9.698 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.608 -8.740 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 56 18.587 -10.091 -2.128 1.00 0.00 H new ATOM 922 N ASP A 57 15.964 -1.521 0.556 1.00 0.00 N ATOM 923 CA ASP A 57 14.517 -1.315 0.452 1.00 0.00 C ATOM 924 C ASP A 57 14.135 0.164 0.386 1.00 0.00 C ATOM 925 O ASP A 57 13.132 0.516 -0.232 1.00 0.00 O ATOM 926 CB ASP A 57 13.788 -1.963 1.636 1.00 0.00 C ATOM 927 CG ASP A 57 13.677 -3.471 1.515 1.00 0.00 C ATOM 928 OD1 ASP A 57 13.128 -3.950 0.502 1.00 0.00 O ATOM 929 OD2 ASP A 57 14.121 -4.184 2.443 1.00 0.00 O ATOM 0 H ASP A 57 16.330 -1.458 1.506 1.00 0.00 H new ATOM 0 HA ASP A 57 14.211 -1.787 -0.482 1.00 0.00 H new ATOM 0 HB2 ASP A 57 14.315 -1.717 2.558 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.788 -1.537 1.716 1.00 0.00 H new ATOM 934 N THR A 58 14.918 1.028 1.017 1.00 0.00 N ATOM 935 CA THR A 58 14.526 2.429 1.167 1.00 0.00 C ATOM 936 C THR A 58 15.311 3.361 0.238 1.00 0.00 C ATOM 937 O THR A 58 14.968 4.535 0.093 1.00 0.00 O ATOM 938 CB THR A 58 14.713 2.887 2.630 1.00 0.00 C ATOM 939 OG1 THR A 58 14.366 1.813 3.516 1.00 0.00 O ATOM 940 CG2 THR A 58 13.843 4.095 2.947 1.00 0.00 C ATOM 0 H THR A 58 15.820 0.791 1.431 1.00 0.00 H new ATOM 0 HA THR A 58 13.474 2.491 0.889 1.00 0.00 H new ATOM 0 HB THR A 58 15.757 3.168 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.093 1.157 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.998 4.393 3.984 1.00 0.00 H new ATOM 0 HG22 THR A 58 14.113 4.921 2.288 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.795 3.838 2.796 1.00 0.00 H new ATOM 948 N GLY A 59 16.355 2.841 -0.398 1.00 0.00 N ATOM 949 CA GLY A 59 17.200 3.671 -1.240 1.00 0.00 C ATOM 950 C GLY A 59 16.491 4.170 -2.486 1.00 0.00 C ATOM 951 O GLY A 59 16.243 3.401 -3.417 1.00 0.00 O ATOM 0 H GLY A 59 16.632 1.861 -0.346 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.551 4.526 -0.662 1.00 0.00 H new ATOM 0 HA3 GLY A 59 18.081 3.101 -1.534 1.00 0.00 H new ATOM 955 N GLY A 60 16.147 5.451 -2.499 1.00 0.00 N ATOM 956 CA GLY A 60 15.500 6.036 -3.656 1.00 0.00 C ATOM 957 C GLY A 60 14.882 7.387 -3.349 1.00 0.00 C ATOM 958 O GLY A 60 13.845 7.467 -2.691 1.00 0.00 O ATOM 0 H GLY A 60 16.305 6.097 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.228 6.146 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.726 5.359 -4.018 1.00 0.00 H new ATOM 962 N ASP A 61 15.524 8.451 -3.814 1.00 0.00 N ATOM 963 CA ASP A 61 15.036 9.808 -3.565 1.00 0.00 C ATOM 964 C ASP A 61 14.161 10.287 -4.718 1.00 0.00 C ATOM 965 O ASP A 61 13.007 10.677 -4.517 1.00 0.00 O ATOM 966 CB ASP A 61 16.203 10.787 -3.380 1.00 0.00 C ATOM 967 CG ASP A 61 17.157 10.374 -2.275 1.00 0.00 C ATOM 968 OD1 ASP A 61 16.771 10.424 -1.091 1.00 0.00 O ATOM 969 OD2 ASP A 61 18.305 9.998 -2.591 1.00 0.00 O ATOM 0 H ASP A 61 16.382 8.405 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 61 14.445 9.780 -2.649 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.754 10.867 -4.317 1.00 0.00 H new ATOM 0 HB3 ASP A 61 15.807 11.778 -3.158 1.00 0.00 H new ATOM 974 N ASP A 62 14.737 10.256 -5.922 1.00 0.00 N ATOM 975 CA ASP A 62 14.070 10.684 -7.157 1.00 0.00 C ATOM 976 C ASP A 62 13.941 12.206 -7.221 1.00 0.00 C ATOM 977 O ASP A 62 14.680 12.859 -7.959 1.00 0.00 O ATOM 978 CB ASP A 62 12.704 10.015 -7.335 1.00 0.00 C ATOM 979 CG ASP A 62 12.066 10.374 -8.659 1.00 0.00 C ATOM 980 OD1 ASP A 62 12.629 10.015 -9.715 1.00 0.00 O ATOM 981 OD2 ASP A 62 11.002 11.021 -8.652 1.00 0.00 O ATOM 0 H ASP A 62 15.692 9.929 -6.070 1.00 0.00 H new ATOM 0 HA ASP A 62 14.702 10.361 -7.984 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.819 8.933 -7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 62 12.044 10.316 -6.521 1.00 0.00 H new ATOM 986 N GLY A 63 13.021 12.780 -6.455 1.00 0.00 N ATOM 987 CA GLY A 63 12.923 14.228 -6.413 1.00 0.00 C ATOM 988 C GLY A 63 11.512 14.757 -6.237 1.00 0.00 C ATOM 989 O GLY A 63 11.052 15.571 -7.039 1.00 0.00 O ATOM 0 H GLY A 63 12.351 12.280 -5.871 1.00 0.00 H new ATOM 0 HA2 GLY A 63 13.541 14.598 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 63 13.338 14.635 -7.335 1.00 0.00 H new ATOM 993 N GLY A 64 10.822 14.291 -5.201 1.00 0.00 N ATOM 994 CA GLY A 64 9.551 14.890 -4.808 1.00 0.00 C ATOM 995 C GLY A 64 8.376 14.550 -5.716 1.00 0.00 C ATOM 996 O GLY A 64 7.475 13.814 -5.314 1.00 0.00 O ATOM 0 H GLY A 64 11.119 13.506 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.313 14.570 -3.794 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.669 15.973 -4.781 1.00 0.00 H new ATOM 1000 N LEU A 65 8.380 15.093 -6.933 1.00 0.00 N ATOM 1001 CA LEU A 65 7.241 14.980 -7.844 1.00 0.00 C ATOM 1002 C LEU A 65 7.009 13.541 -8.291 1.00 0.00 C ATOM 1003 O LEU A 65 7.647 13.055 -9.225 1.00 0.00 O ATOM 1004 CB LEU A 65 7.428 15.880 -9.077 1.00 0.00 C ATOM 1005 CG LEU A 65 7.210 17.383 -8.852 1.00 0.00 C ATOM 1006 CD1 LEU A 65 8.317 17.982 -8.002 1.00 0.00 C ATOM 1007 CD2 LEU A 65 7.111 18.109 -10.184 1.00 0.00 C ATOM 0 H LEU A 65 9.166 15.620 -7.313 1.00 0.00 H new ATOM 0 HA LEU A 65 6.363 15.310 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.438 15.733 -9.460 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.741 15.546 -9.854 1.00 0.00 H new ATOM 0 HG LEU A 65 6.271 17.508 -8.312 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.132 19.047 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.339 17.487 -7.031 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.275 17.843 -8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.957 19.173 -10.008 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.033 17.965 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.272 17.710 -10.754 1.00 0.00 H new ATOM 1019 N THR A 66 6.099 12.866 -7.607 1.00 0.00 N ATOM 1020 CA THR A 66 5.726 11.506 -7.946 1.00 0.00 C ATOM 1021 C THR A 66 4.514 11.091 -7.116 1.00 0.00 C ATOM 1022 O THR A 66 4.197 11.735 -6.113 1.00 0.00 O ATOM 1023 CB THR A 66 6.898 10.525 -7.703 1.00 0.00 C ATOM 1024 OG1 THR A 66 6.611 9.242 -8.274 1.00 0.00 O ATOM 1025 CG2 THR A 66 7.189 10.367 -6.216 1.00 0.00 C ATOM 0 H THR A 66 5.600 13.247 -6.803 1.00 0.00 H new ATOM 0 HA THR A 66 5.476 11.470 -9.006 1.00 0.00 H new ATOM 0 HB THR A 66 7.780 10.945 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.364 8.636 -8.112 1.00 0.00 H new ATOM 0 HG21 THR A 66 8.017 9.672 -6.079 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.455 11.336 -5.792 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.304 9.981 -5.711 1.00 0.00 H new ATOM 1033 N THR A 67 3.826 10.042 -7.538 1.00 0.00 N ATOM 1034 CA THR A 67 2.686 9.537 -6.797 1.00 0.00 C ATOM 1035 C THR A 67 3.162 8.607 -5.682 1.00 0.00 C ATOM 1036 O THR A 67 3.212 7.385 -5.846 1.00 0.00 O ATOM 1037 CB THR A 67 1.697 8.799 -7.717 1.00 0.00 C ATOM 1038 OG1 THR A 67 1.436 9.594 -8.886 1.00 0.00 O ATOM 1039 CG2 THR A 67 0.389 8.522 -6.992 1.00 0.00 C ATOM 0 H THR A 67 4.039 9.525 -8.391 1.00 0.00 H new ATOM 0 HA THR A 67 2.163 10.388 -6.361 1.00 0.00 H new ATOM 0 HB THR A 67 2.143 7.848 -8.009 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.808 9.120 -9.470 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.295 8.000 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.583 7.903 -6.116 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.060 9.464 -6.678 1.00 0.00 H new ATOM 1047 N ALA A 68 3.556 9.211 -4.569 1.00 0.00 N ATOM 1048 CA ALA A 68 4.071 8.480 -3.420 1.00 0.00 C ATOM 1049 C ALA A 68 4.112 9.399 -2.207 1.00 0.00 C ATOM 1050 O ALA A 68 3.605 10.524 -2.266 1.00 0.00 O ATOM 1051 CB ALA A 68 5.460 7.922 -3.712 1.00 0.00 C ATOM 0 H ALA A 68 3.527 10.222 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 68 3.408 7.640 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.825 7.380 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.408 7.245 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.141 8.742 -3.941 1.00 0.00 H new ATOM 1057 N GLU A 69 4.700 8.912 -1.110 1.00 0.00 N ATOM 1058 CA GLU A 69 4.825 9.691 0.124 1.00 0.00 C ATOM 1059 C GLU A 69 3.440 10.052 0.665 1.00 0.00 C ATOM 1060 O GLU A 69 3.273 11.035 1.386 1.00 0.00 O ATOM 1061 CB GLU A 69 5.650 10.963 -0.126 1.00 0.00 C ATOM 1062 CG GLU A 69 7.049 10.692 -0.666 1.00 0.00 C ATOM 1063 CD GLU A 69 7.966 10.055 0.358 1.00 0.00 C ATOM 1064 OE1 GLU A 69 8.408 10.766 1.282 1.00 0.00 O ATOM 1065 OE2 GLU A 69 8.260 8.847 0.235 1.00 0.00 O ATOM 0 H GLU A 69 5.099 7.975 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 69 5.342 9.084 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.115 11.599 -0.831 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.732 11.521 0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.976 10.040 -1.536 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.489 11.629 -1.006 1.00 0.00 H new ATOM 1072 N ARG A 70 2.456 9.220 0.341 1.00 0.00 N ATOM 1073 CA ARG A 70 1.062 9.496 0.682 1.00 0.00 C ATOM 1074 C ARG A 70 0.714 9.003 2.086 1.00 0.00 C ATOM 1075 O ARG A 70 -0.408 8.559 2.338 1.00 0.00 O ATOM 1076 CB ARG A 70 0.126 8.842 -0.341 1.00 0.00 C ATOM 1077 CG ARG A 70 0.421 7.372 -0.587 1.00 0.00 C ATOM 1078 CD ARG A 70 -0.852 6.549 -0.660 1.00 0.00 C ATOM 1079 NE ARG A 70 -1.554 6.517 0.625 1.00 0.00 N ATOM 1080 CZ ARG A 70 -2.164 5.435 1.114 1.00 0.00 C ATOM 1081 NH1 ARG A 70 -2.162 4.301 0.430 1.00 0.00 N ATOM 1082 NH2 ARG A 70 -2.770 5.482 2.290 1.00 0.00 N ATOM 0 H ARG A 70 2.598 8.343 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 70 0.929 10.578 0.661 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.903 8.944 0.004 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.201 9.381 -1.285 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.978 7.263 -1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.056 6.990 0.212 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.510 6.964 -1.423 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.610 5.532 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.578 7.373 1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.693 4.252 -0.474 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.629 3.477 0.808 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.773 6.349 2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.234 4.652 2.658 1.00 0.00 H new ATOM 1096 N GLN A 71 1.664 9.101 3.000 1.00 0.00 N ATOM 1097 CA GLN A 71 1.441 8.659 4.367 1.00 0.00 C ATOM 1098 C GLN A 71 0.743 9.739 5.187 1.00 0.00 C ATOM 1099 O GLN A 71 1.359 10.403 6.025 1.00 0.00 O ATOM 1100 CB GLN A 71 2.758 8.255 5.031 1.00 0.00 C ATOM 1101 CG GLN A 71 3.382 6.996 4.450 1.00 0.00 C ATOM 1102 CD GLN A 71 2.493 5.777 4.597 1.00 0.00 C ATOM 1103 OE1 GLN A 71 2.544 5.077 5.608 1.00 0.00 O ATOM 1104 NE2 GLN A 71 1.685 5.503 3.584 1.00 0.00 N ATOM 0 H GLN A 71 2.594 9.481 2.822 1.00 0.00 H new ATOM 0 HA GLN A 71 0.790 7.785 4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.468 9.077 4.937 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.585 8.104 6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.598 7.157 3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.335 6.807 4.945 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.673 6.109 2.763 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.075 4.686 3.625 1.00 0.00 H new ATOM 1113 N ARG A 72 -0.539 9.927 4.912 1.00 0.00 N ATOM 1114 CA ARG A 72 -1.362 10.852 5.670 1.00 0.00 C ATOM 1115 C ARG A 72 -2.367 10.076 6.511 1.00 0.00 C ATOM 1116 O ARG A 72 -3.106 9.241 5.993 1.00 0.00 O ATOM 1117 CB ARG A 72 -2.105 11.814 4.743 1.00 0.00 C ATOM 1118 CG ARG A 72 -1.196 12.769 3.988 1.00 0.00 C ATOM 1119 CD ARG A 72 -2.000 13.721 3.118 1.00 0.00 C ATOM 1120 NE ARG A 72 -1.162 14.747 2.500 1.00 0.00 N ATOM 1121 CZ ARG A 72 -1.646 15.826 1.888 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -2.959 16.019 1.822 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -0.821 16.710 1.341 1.00 0.00 N ATOM 0 H ARG A 72 -1.034 9.445 4.162 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.709 11.435 6.320 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.684 11.235 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -2.816 12.394 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.595 13.339 4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.503 12.201 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.511 13.155 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.771 14.199 3.722 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.150 14.630 2.540 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.596 15.341 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.330 16.845 1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.187 16.564 1.389 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.195 17.535 0.873 1.00 0.00 H new ATOM 1137 N LEU A 73 -2.400 10.355 7.801 1.00 0.00 N ATOM 1138 CA LEU A 73 -3.282 9.634 8.713 1.00 0.00 C ATOM 1139 C LEU A 73 -4.712 10.164 8.628 1.00 0.00 C ATOM 1140 O LEU A 73 -5.628 9.598 9.227 1.00 0.00 O ATOM 1141 CB LEU A 73 -2.768 9.716 10.157 1.00 0.00 C ATOM 1142 CG LEU A 73 -1.590 8.790 10.505 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.336 9.180 9.738 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -1.330 8.814 12.004 1.00 0.00 C ATOM 0 H LEU A 73 -1.829 11.074 8.245 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.286 8.587 8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -2.468 10.745 10.357 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.595 9.488 10.830 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.857 7.775 10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.478 8.507 10.006 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.528 9.110 8.667 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.059 10.203 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.494 8.155 12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.089 9.830 12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -2.220 8.474 12.533 1.00 0.00 H new ATOM 1156 N LYS A 74 -4.903 11.238 7.868 1.00 0.00 N ATOM 1157 CA LYS A 74 -6.231 11.810 7.675 1.00 0.00 C ATOM 1158 C LYS A 74 -6.869 11.239 6.409 1.00 0.00 C ATOM 1159 O LYS A 74 -7.509 11.953 5.632 1.00 0.00 O ATOM 1160 CB LYS A 74 -6.159 13.339 7.583 1.00 0.00 C ATOM 1161 CG LYS A 74 -7.514 14.012 7.789 1.00 0.00 C ATOM 1162 CD LYS A 74 -7.463 15.506 7.513 1.00 0.00 C ATOM 1163 CE LYS A 74 -7.301 15.803 6.029 1.00 0.00 C ATOM 1164 NZ LYS A 74 -8.390 15.203 5.211 1.00 0.00 N ATOM 0 H LYS A 74 -4.156 11.729 7.376 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.846 11.547 8.536 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.458 13.710 8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.764 13.621 6.607 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.251 13.548 7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.848 13.845 8.813 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.376 15.974 7.880 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.634 15.949 8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.287 16.882 5.876 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.339 15.420 5.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.731 15.902 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.027 14.368 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.174 14.919 5.832 1.00 0.00 H new ATOM 1178 N GLU A 75 -6.685 9.944 6.210 1.00 0.00 N ATOM 1179 CA GLU A 75 -7.271 9.249 5.077 1.00 0.00 C ATOM 1180 C GLU A 75 -8.761 9.024 5.313 1.00 0.00 C ATOM 1181 O GLU A 75 -9.199 8.936 6.463 1.00 0.00 O ATOM 1182 CB GLU A 75 -6.563 7.909 4.856 1.00 0.00 C ATOM 1183 CG GLU A 75 -6.545 7.019 6.088 1.00 0.00 C ATOM 1184 CD GLU A 75 -5.866 5.692 5.836 1.00 0.00 C ATOM 1185 OE1 GLU A 75 -4.619 5.646 5.854 1.00 0.00 O ATOM 1186 OE2 GLU A 75 -6.578 4.688 5.629 1.00 0.00 O ATOM 0 H GLU A 75 -6.129 9.349 6.825 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.146 9.863 4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.055 7.378 4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.537 8.098 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.033 7.537 6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.568 6.842 6.419 1.00 0.00 H new ATOM 1193 N PRO A 76 -9.555 8.947 4.229 1.00 0.00 N ATOM 1194 CA PRO A 76 -10.997 8.702 4.317 1.00 0.00 C ATOM 1195 C PRO A 76 -11.309 7.464 5.148 1.00 0.00 C ATOM 1196 O PRO A 76 -10.965 6.340 4.770 1.00 0.00 O ATOM 1197 CB PRO A 76 -11.433 8.502 2.856 1.00 0.00 C ATOM 1198 CG PRO A 76 -10.168 8.343 2.079 1.00 0.00 C ATOM 1199 CD PRO A 76 -9.117 9.096 2.838 1.00 0.00 C ATOM 0 HA PRO A 76 -11.521 9.522 4.808 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -12.069 7.623 2.753 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.008 9.356 2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.900 7.291 1.982 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -10.278 8.739 1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -8.124 8.676 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -9.072 10.143 2.537 1.00 0.00 H new ATOM 1207 N GLU A 77 -11.946 7.685 6.286 1.00 0.00 N ATOM 1208 CA GLU A 77 -12.226 6.619 7.235 1.00 0.00 C ATOM 1209 C GLU A 77 -13.355 7.034 8.175 1.00 0.00 C ATOM 1210 O GLU A 77 -14.293 6.274 8.415 1.00 0.00 O ATOM 1211 CB GLU A 77 -10.941 6.287 8.013 1.00 0.00 C ATOM 1212 CG GLU A 77 -11.089 5.229 9.099 1.00 0.00 C ATOM 1213 CD GLU A 77 -11.539 5.806 10.427 1.00 0.00 C ATOM 1214 OE1 GLU A 77 -10.832 6.683 10.968 1.00 0.00 O ATOM 1215 OE2 GLU A 77 -12.595 5.388 10.938 1.00 0.00 O ATOM 0 H GLU A 77 -12.282 8.603 6.577 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.553 5.725 6.704 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.184 5.952 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.567 7.203 8.470 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.809 4.478 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.135 4.719 9.235 1.00 0.00 H new ATOM 1222 N ARG A 78 -13.271 8.254 8.679 1.00 0.00 N ATOM 1223 CA ARG A 78 -14.250 8.758 9.632 1.00 0.00 C ATOM 1224 C ARG A 78 -15.313 9.592 8.929 1.00 0.00 C ATOM 1225 O ARG A 78 -16.372 9.880 9.494 1.00 0.00 O ATOM 1226 CB ARG A 78 -13.554 9.596 10.699 1.00 0.00 C ATOM 1227 CG ARG A 78 -12.800 10.788 10.135 1.00 0.00 C ATOM 1228 CD ARG A 78 -12.016 11.504 11.217 1.00 0.00 C ATOM 1229 NE ARG A 78 -11.017 10.628 11.831 1.00 0.00 N ATOM 1230 CZ ARG A 78 -10.712 10.639 13.127 1.00 0.00 C ATOM 1231 NH1 ARG A 78 -11.358 11.455 13.957 1.00 0.00 N ATOM 1232 NH2 ARG A 78 -9.780 9.819 13.596 1.00 0.00 N ATOM 0 H ARG A 78 -12.532 8.917 8.444 1.00 0.00 H new ATOM 0 HA ARG A 78 -14.739 7.906 10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -14.297 9.951 11.413 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -12.858 8.963 11.250 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.121 10.454 9.351 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.503 11.481 9.673 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.522 12.377 10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.701 11.868 11.983 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.524 9.968 11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.087 12.072 13.600 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.124 11.463 14.950 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.297 9.180 12.964 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.546 9.827 14.589 1.00 0.00 H new ATOM 1246 N GLU A 79 -15.018 9.981 7.698 1.00 0.00 N ATOM 1247 CA GLU A 79 -15.917 10.805 6.911 1.00 0.00 C ATOM 1248 C GLU A 79 -17.060 9.966 6.347 1.00 0.00 C ATOM 1249 O GLU A 79 -17.093 9.646 5.159 1.00 0.00 O ATOM 1250 CB GLU A 79 -15.156 11.500 5.776 1.00 0.00 C ATOM 1251 CG GLU A 79 -13.917 12.256 6.242 1.00 0.00 C ATOM 1252 CD GLU A 79 -12.647 11.422 6.190 1.00 0.00 C ATOM 1253 OE1 GLU A 79 -12.671 10.249 6.626 1.00 0.00 O ATOM 1254 OE2 GLU A 79 -11.619 11.950 5.720 1.00 0.00 O ATOM 0 H GLU A 79 -14.152 9.735 7.220 1.00 0.00 H new ATOM 0 HA GLU A 79 -16.339 11.569 7.564 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -14.860 10.754 5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.828 12.196 5.273 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.786 13.143 5.622 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.074 12.602 7.264 1.00 0.00 H new ATOM 1261 N ASN A 80 -17.975 9.582 7.226 1.00 0.00 N ATOM 1262 CA ASN A 80 -19.139 8.798 6.843 1.00 0.00 C ATOM 1263 C ASN A 80 -20.294 9.724 6.483 1.00 0.00 C ATOM 1264 O ASN A 80 -20.877 9.617 5.407 1.00 0.00 O ATOM 1265 CB ASN A 80 -19.535 7.861 7.991 1.00 0.00 C ATOM 1266 CG ASN A 80 -20.803 7.074 7.718 1.00 0.00 C ATOM 1267 OD1 ASN A 80 -21.132 6.760 6.572 1.00 0.00 O ATOM 1268 ND2 ASN A 80 -21.520 6.743 8.781 1.00 0.00 N ATOM 0 H ASN A 80 -17.931 9.804 8.221 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.895 8.194 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -18.718 7.165 8.180 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -19.670 8.448 8.899 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -22.381 6.208 8.669 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -21.211 7.023 9.712 1.00 0.00 H new ATOM 1275 N ARG A 81 -20.607 10.646 7.384 1.00 0.00 N ATOM 1276 CA ARG A 81 -21.654 11.626 7.125 1.00 0.00 C ATOM 1277 C ARG A 81 -21.075 12.838 6.409 1.00 0.00 C ATOM 1278 O ARG A 81 -21.803 13.625 5.805 1.00 0.00 O ATOM 1279 CB ARG A 81 -22.340 12.052 8.422 1.00 0.00 C ATOM 1280 CG ARG A 81 -23.070 10.922 9.126 1.00 0.00 C ATOM 1281 CD ARG A 81 -24.006 11.461 10.190 1.00 0.00 C ATOM 1282 NE ARG A 81 -25.023 12.336 9.611 1.00 0.00 N ATOM 1283 CZ ARG A 81 -25.303 13.558 10.061 1.00 0.00 C ATOM 1284 NH1 ARG A 81 -24.666 14.037 11.119 1.00 0.00 N ATOM 1285 NH2 ARG A 81 -26.229 14.291 9.459 1.00 0.00 N ATOM 0 H ARG A 81 -20.155 10.736 8.294 1.00 0.00 H new ATOM 0 HA ARG A 81 -22.403 11.162 6.484 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -21.593 12.467 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -23.049 12.850 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -23.637 10.341 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -22.347 10.245 9.581 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -24.489 10.631 10.706 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -23.433 12.011 10.936 1.00 0.00 H new ATOM 0 HE ARG A 81 -25.552 11.989 8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -23.961 13.470 11.590 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -24.881 14.973 11.463 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -26.728 13.919 8.651 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -26.443 15.227 9.804 1.00 0.00 H new ATOM 1299 N GLU A 82 -19.758 12.976 6.484 1.00 0.00 N ATOM 1300 CA GLU A 82 -19.048 14.024 5.768 1.00 0.00 C ATOM 1301 C GLU A 82 -18.954 13.630 4.296 1.00 0.00 C ATOM 1302 O GLU A 82 -18.139 12.787 3.920 1.00 0.00 O ATOM 1303 CB GLU A 82 -17.651 14.213 6.373 1.00 0.00 C ATOM 1304 CG GLU A 82 -16.982 15.523 5.999 1.00 0.00 C ATOM 1305 CD GLU A 82 -17.771 16.733 6.458 1.00 0.00 C ATOM 1306 OE1 GLU A 82 -18.004 16.876 7.678 1.00 0.00 O ATOM 1307 OE2 GLU A 82 -18.154 17.551 5.599 1.00 0.00 O ATOM 0 H GLU A 82 -19.156 12.368 7.040 1.00 0.00 H new ATOM 0 HA GLU A 82 -19.583 14.970 5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -17.727 14.154 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -17.014 13.388 6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -15.985 15.556 6.439 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -16.855 15.566 4.917 1.00 0.00 H new ATOM 1314 N LEU A 83 -19.813 14.213 3.474 1.00 0.00 N ATOM 1315 CA LEU A 83 -19.962 13.765 2.096 1.00 0.00 C ATOM 1316 C LEU A 83 -19.799 14.917 1.108 1.00 0.00 C ATOM 1317 O LEU A 83 -19.387 14.700 -0.034 1.00 0.00 O ATOM 1318 CB LEU A 83 -21.332 13.104 1.919 1.00 0.00 C ATOM 1319 CG LEU A 83 -21.548 12.378 0.592 1.00 0.00 C ATOM 1320 CD1 LEU A 83 -20.544 11.246 0.436 1.00 0.00 C ATOM 1321 CD2 LEU A 83 -22.969 11.840 0.513 1.00 0.00 C ATOM 0 H LEU A 83 -20.415 14.994 3.734 1.00 0.00 H new ATOM 0 HA LEU A 83 -19.175 13.041 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -21.479 12.391 2.731 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -22.101 13.869 2.023 1.00 0.00 H new ATOM 0 HG LEU A 83 -21.397 13.087 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -20.712 10.739 -0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -19.532 11.651 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -20.667 10.535 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -23.111 11.325 -0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -23.140 11.143 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -23.676 12.667 0.586 1.00 0.00 H new ATOM 1333 N ARG A 84 -20.109 16.132 1.563 1.00 0.00 N ATOM 1334 CA ARG A 84 -20.041 17.347 0.738 1.00 0.00 C ATOM 1335 C ARG A 84 -21.102 17.349 -0.360 1.00 0.00 C ATOM 1336 O ARG A 84 -22.149 17.984 -0.218 1.00 0.00 O ATOM 1337 CB ARG A 84 -18.662 17.523 0.088 1.00 0.00 C ATOM 1338 CG ARG A 84 -17.492 17.514 1.052 1.00 0.00 C ATOM 1339 CD ARG A 84 -16.193 17.728 0.300 1.00 0.00 C ATOM 1340 NE ARG A 84 -15.009 17.553 1.137 1.00 0.00 N ATOM 1341 CZ ARG A 84 -13.767 17.698 0.680 1.00 0.00 C ATOM 1342 NH1 ARG A 84 -13.567 18.130 -0.561 1.00 0.00 N ATOM 1343 NH2 ARG A 84 -12.728 17.437 1.461 1.00 0.00 N ATOM 0 H ARG A 84 -20.417 16.306 2.520 1.00 0.00 H new ATOM 0 HA ARG A 84 -20.225 18.178 1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -18.517 16.727 -0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -18.654 18.465 -0.461 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -17.621 18.297 1.800 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -17.459 16.565 1.587 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -16.145 17.030 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -16.186 18.733 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 84 -15.140 17.308 2.118 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.363 18.349 -1.159 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.617 18.242 -0.915 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.877 17.123 2.420 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -11.780 17.551 1.103 1.00 0.00 H new ATOM 1357 N ARG A 85 -20.817 16.614 -1.441 1.00 0.00 N ATOM 1358 CA ARG A 85 -21.631 16.617 -2.662 1.00 0.00 C ATOM 1359 C ARG A 85 -21.575 17.984 -3.344 1.00 0.00 C ATOM 1360 O ARG A 85 -20.881 18.897 -2.885 1.00 0.00 O ATOM 1361 CB ARG A 85 -23.086 16.236 -2.380 1.00 0.00 C ATOM 1362 CG ARG A 85 -23.254 14.907 -1.668 1.00 0.00 C ATOM 1363 CD ARG A 85 -24.724 14.576 -1.464 1.00 0.00 C ATOM 1364 NE ARG A 85 -25.458 15.697 -0.882 1.00 0.00 N ATOM 1365 CZ ARG A 85 -25.871 15.747 0.386 1.00 0.00 C ATOM 1366 NH1 ARG A 85 -25.645 14.724 1.204 1.00 0.00 N ATOM 1367 NH2 ARG A 85 -26.528 16.812 0.832 1.00 0.00 N ATOM 0 H ARG A 85 -20.008 15.995 -1.493 1.00 0.00 H new ATOM 0 HA ARG A 85 -21.210 15.865 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -23.544 17.019 -1.776 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -23.630 16.201 -3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -22.778 14.117 -2.249 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -22.749 14.942 -0.703 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -25.172 14.306 -2.420 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -24.814 13.706 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 85 -25.668 16.493 -1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -25.154 13.897 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -25.962 14.766 2.173 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -26.718 17.594 0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -26.843 16.848 1.802 1.00 0.00 H new ATOM 1381 N SER A 86 -22.300 18.124 -4.438 1.00 0.00 N ATOM 1382 CA SER A 86 -22.330 19.377 -5.169 1.00 0.00 C ATOM 1383 C SER A 86 -23.593 20.166 -4.832 1.00 0.00 C ATOM 1384 O SER A 86 -24.656 19.933 -5.405 1.00 0.00 O ATOM 1385 CB SER A 86 -22.255 19.114 -6.673 1.00 0.00 C ATOM 1386 OG SER A 86 -21.070 18.409 -7.014 1.00 0.00 O ATOM 0 H SER A 86 -22.876 17.385 -4.840 1.00 0.00 H new ATOM 0 HA SER A 86 -21.465 19.970 -4.873 1.00 0.00 H new ATOM 0 HB2 SER A 86 -23.126 18.540 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 86 -22.286 20.061 -7.212 1.00 0.00 H new ATOM 0 HG SER A 86 -21.049 18.253 -7.981 1.00 0.00 H new ATOM 1392 N ASN A 87 -23.479 21.077 -3.878 1.00 0.00 N ATOM 1393 CA ASN A 87 -24.604 21.919 -3.479 1.00 0.00 C ATOM 1394 C ASN A 87 -24.096 23.185 -2.805 1.00 0.00 C ATOM 1395 O ASN A 87 -22.896 23.325 -2.550 1.00 0.00 O ATOM 1396 CB ASN A 87 -25.547 21.166 -2.529 1.00 0.00 C ATOM 1397 CG ASN A 87 -24.888 20.789 -1.214 1.00 0.00 C ATOM 1398 OD1 ASN A 87 -24.896 21.561 -0.254 1.00 0.00 O ATOM 1399 ND2 ASN A 87 -24.333 19.588 -1.158 1.00 0.00 N ATOM 0 H ASN A 87 -22.617 21.255 -3.362 1.00 0.00 H new ATOM 0 HA ASN A 87 -25.162 22.186 -4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -26.421 21.786 -2.327 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -25.905 20.262 -3.022 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -23.890 19.271 -0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -24.349 18.980 -1.977 1.00 0.00 H new ATOM 1406 N ASP A 88 -25.006 24.107 -2.527 1.00 0.00 N ATOM 1407 CA ASP A 88 -24.651 25.343 -1.850 1.00 0.00 C ATOM 1408 C ASP A 88 -24.519 25.101 -0.352 1.00 0.00 C ATOM 1409 O ASP A 88 -25.506 24.938 0.366 1.00 0.00 O ATOM 1410 CB ASP A 88 -25.672 26.451 -2.151 1.00 0.00 C ATOM 1411 CG ASP A 88 -27.097 26.084 -1.778 1.00 0.00 C ATOM 1412 OD1 ASP A 88 -27.675 25.181 -2.425 1.00 0.00 O ATOM 1413 OD2 ASP A 88 -27.663 26.722 -0.865 1.00 0.00 O ATOM 0 H ASP A 88 -25.995 24.022 -2.760 1.00 0.00 H new ATOM 0 HA ASP A 88 -23.686 25.681 -2.228 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -25.385 27.354 -1.611 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -25.634 26.689 -3.214 1.00 0.00 H new ATOM 1418 N ILE A 89 -23.280 25.045 0.106 1.00 0.00 N ATOM 1419 CA ILE A 89 -23.001 24.772 1.501 1.00 0.00 C ATOM 1420 C ILE A 89 -22.939 26.060 2.317 1.00 0.00 C ATOM 1421 O ILE A 89 -21.957 26.805 2.276 1.00 0.00 O ATOM 1422 CB ILE A 89 -21.698 23.951 1.674 1.00 0.00 C ATOM 1423 CG1 ILE A 89 -21.344 23.808 3.161 1.00 0.00 C ATOM 1424 CG2 ILE A 89 -20.548 24.580 0.897 1.00 0.00 C ATOM 1425 CD1 ILE A 89 -20.118 22.958 3.416 1.00 0.00 C ATOM 0 H ILE A 89 -22.451 25.186 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 89 -23.826 24.170 1.880 1.00 0.00 H new ATOM 0 HB ILE A 89 -21.868 22.954 1.267 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -21.182 24.800 3.584 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -22.193 23.372 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -19.646 23.984 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -20.801 24.614 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -20.373 25.592 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -19.930 22.903 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -20.283 21.954 3.024 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -19.256 23.404 2.919 1.00 0.00 H new ATOM 1437 N LEU A 90 -24.017 26.329 3.031 1.00 0.00 N ATOM 1438 CA LEU A 90 -24.065 27.436 3.967 1.00 0.00 C ATOM 1439 C LEU A 90 -24.471 26.884 5.327 1.00 0.00 C ATOM 1440 O LEU A 90 -25.656 26.673 5.596 1.00 0.00 O ATOM 1441 CB LEU A 90 -25.051 28.514 3.487 1.00 0.00 C ATOM 1442 CG LEU A 90 -24.761 29.950 3.952 1.00 0.00 C ATOM 1443 CD1 LEU A 90 -25.682 30.930 3.245 1.00 0.00 C ATOM 1444 CD2 LEU A 90 -24.925 30.089 5.455 1.00 0.00 C ATOM 0 H LEU A 90 -24.880 25.788 2.978 1.00 0.00 H new ATOM 0 HA LEU A 90 -23.087 27.911 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -25.068 28.503 2.397 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -26.051 28.239 3.824 1.00 0.00 H new ATOM 0 HG LEU A 90 -23.726 30.177 3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -25.465 31.943 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -25.524 30.866 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -26.719 30.685 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -24.713 31.116 5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -25.947 29.835 5.734 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -24.233 29.416 5.960 1.00 0.00 H new ATOM 1456 N ARG A 91 -23.471 26.620 6.161 1.00 0.00 N ATOM 1457 CA ARG A 91 -23.672 25.907 7.418 1.00 0.00 C ATOM 1458 C ARG A 91 -24.527 26.709 8.394 1.00 0.00 C ATOM 1459 O ARG A 91 -25.282 26.137 9.182 1.00 0.00 O ATOM 1460 CB ARG A 91 -22.321 25.561 8.053 1.00 0.00 C ATOM 1461 CG ARG A 91 -22.438 24.707 9.306 1.00 0.00 C ATOM 1462 CD ARG A 91 -21.087 24.165 9.745 1.00 0.00 C ATOM 1463 NE ARG A 91 -20.149 25.222 10.115 1.00 0.00 N ATOM 1464 CZ ARG A 91 -18.926 24.993 10.588 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -18.465 23.749 10.675 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -18.152 26.013 10.938 1.00 0.00 N ATOM 0 H ARG A 91 -22.504 26.892 5.987 1.00 0.00 H new ATOM 0 HA ARG A 91 -24.208 24.985 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -21.709 25.035 7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -21.798 26.485 8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -22.871 25.300 10.111 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -23.120 23.877 9.119 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -21.227 23.496 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -20.659 23.571 8.938 1.00 0.00 H new ATOM 0 HE ARG A 91 -20.448 26.191 10.005 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -19.049 22.967 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -17.527 23.577 11.038 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -18.495 26.969 10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.214 25.841 11.301 1.00 0.00 H new ATOM 1480 N LEU A 92 -24.410 28.029 8.348 1.00 0.00 N ATOM 1481 CA LEU A 92 -25.226 28.884 9.196 1.00 0.00 C ATOM 1482 C LEU A 92 -26.667 28.923 8.682 1.00 0.00 C ATOM 1483 O LEU A 92 -27.074 29.856 7.990 1.00 0.00 O ATOM 1484 CB LEU A 92 -24.645 30.301 9.276 1.00 0.00 C ATOM 1485 CG LEU A 92 -25.380 31.251 10.226 1.00 0.00 C ATOM 1486 CD1 LEU A 92 -25.346 30.728 11.658 1.00 0.00 C ATOM 1487 CD2 LEU A 92 -24.775 32.643 10.151 1.00 0.00 C ATOM 0 H LEU A 92 -23.763 28.527 7.737 1.00 0.00 H new ATOM 0 HA LEU A 92 -25.224 28.464 10.202 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -23.603 30.233 9.589 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -24.650 30.736 8.277 1.00 0.00 H new ATOM 0 HG LEU A 92 -26.423 31.306 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -25.875 31.422 12.311 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -25.828 29.751 11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -24.311 30.637 11.988 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -25.307 33.308 10.831 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -23.724 32.599 10.435 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -24.860 33.022 9.133 1.00 0.00 H new ATOM 1499 N ALA A 93 -27.415 27.875 8.989 1.00 0.00 N ATOM 1500 CA ALA A 93 -28.819 27.791 8.615 1.00 0.00 C ATOM 1501 C ALA A 93 -29.693 27.872 9.856 1.00 0.00 C ATOM 1502 O ALA A 93 -30.905 27.657 9.798 1.00 0.00 O ATOM 1503 CB ALA A 93 -29.085 26.496 7.858 1.00 0.00 C ATOM 0 H ALA A 93 -27.069 27.063 9.501 1.00 0.00 H new ATOM 0 HA ALA A 93 -29.063 28.629 7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -30.139 26.445 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -28.474 26.470 6.956 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -28.833 25.646 8.492 1.00 0.00 H new ATOM 1509 N SER A 94 -29.057 28.174 10.982 1.00 0.00 N ATOM 1510 CA SER A 94 -29.749 28.300 12.255 1.00 0.00 C ATOM 1511 C SER A 94 -30.788 29.419 12.189 1.00 0.00 C ATOM 1512 O SER A 94 -31.992 29.170 12.288 1.00 0.00 O ATOM 1513 CB SER A 94 -28.731 28.583 13.360 1.00 0.00 C ATOM 1514 OG SER A 94 -27.559 27.800 13.183 1.00 0.00 O ATOM 0 H SER A 94 -28.052 28.337 11.036 1.00 0.00 H new ATOM 0 HA SER A 94 -30.268 27.367 12.475 1.00 0.00 H new ATOM 0 HB2 SER A 94 -28.470 29.641 13.357 1.00 0.00 H new ATOM 0 HB3 SER A 94 -29.174 28.367 14.332 1.00 0.00 H new ATOM 0 HG SER A 94 -26.921 27.999 13.900 1.00 0.00 H new ATOM 1520 N ALA A 95 -30.310 30.645 11.998 1.00 0.00 N ATOM 1521 CA ALA A 95 -31.174 31.811 11.852 1.00 0.00 C ATOM 1522 C ALA A 95 -30.343 33.033 11.484 1.00 0.00 C ATOM 1523 O ALA A 95 -30.398 33.518 10.353 1.00 0.00 O ATOM 1524 CB ALA A 95 -31.964 32.074 13.131 1.00 0.00 C ATOM 0 H ALA A 95 -29.314 30.858 11.940 1.00 0.00 H new ATOM 0 HA ALA A 95 -31.887 31.610 11.052 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -32.599 32.949 12.993 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -32.584 31.208 13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -31.273 32.254 13.955 1.00 0.00 H new ATOM 1530 N TYR A 96 -29.561 33.503 12.446 1.00 0.00 N ATOM 1531 CA TYR A 96 -28.697 34.659 12.256 1.00 0.00 C ATOM 1532 C TYR A 96 -27.579 34.618 13.289 1.00 0.00 C ATOM 1533 O TYR A 96 -27.722 33.967 14.324 1.00 0.00 O ATOM 1534 CB TYR A 96 -29.506 35.963 12.372 1.00 0.00 C ATOM 1535 CG TYR A 96 -30.228 36.144 13.691 1.00 0.00 C ATOM 1536 CD1 TYR A 96 -31.490 35.602 13.894 1.00 0.00 C ATOM 1537 CD2 TYR A 96 -29.651 36.861 14.729 1.00 0.00 C ATOM 1538 CE1 TYR A 96 -32.154 35.767 15.095 1.00 0.00 C ATOM 1539 CE2 TYR A 96 -30.308 37.028 15.932 1.00 0.00 C ATOM 1540 CZ TYR A 96 -31.558 36.482 16.109 1.00 0.00 C ATOM 1541 OH TYR A 96 -32.213 36.644 17.309 1.00 0.00 O ATOM 0 H TYR A 96 -29.508 33.094 13.379 1.00 0.00 H new ATOM 0 HA TYR A 96 -28.262 34.629 11.257 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -28.832 36.807 12.223 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -30.238 35.993 11.565 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -31.961 35.042 13.100 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -28.672 37.296 14.594 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -33.135 35.337 15.237 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -29.842 37.585 16.731 1.00 0.00 H new ATOM 0 HH TYR A 96 -31.655 37.172 17.917 1.00 0.00 H new ATOM 1551 N PHE A 97 -26.467 35.292 13.017 1.00 0.00 N ATOM 1552 CA PHE A 97 -25.337 35.260 13.938 1.00 0.00 C ATOM 1553 C PHE A 97 -25.506 36.289 15.052 1.00 0.00 C ATOM 1554 O PHE A 97 -25.232 37.476 14.883 1.00 0.00 O ATOM 1555 CB PHE A 97 -23.987 35.429 13.209 1.00 0.00 C ATOM 1556 CG PHE A 97 -23.948 36.493 12.138 1.00 0.00 C ATOM 1557 CD1 PHE A 97 -23.722 37.822 12.458 1.00 0.00 C ATOM 1558 CD2 PHE A 97 -24.117 36.152 10.803 1.00 0.00 C ATOM 1559 CE1 PHE A 97 -23.670 38.789 11.471 1.00 0.00 C ATOM 1560 CE2 PHE A 97 -24.068 37.115 9.813 1.00 0.00 C ATOM 1561 CZ PHE A 97 -23.845 38.435 10.148 1.00 0.00 C ATOM 0 H PHE A 97 -26.324 35.858 12.181 1.00 0.00 H new ATOM 0 HA PHE A 97 -25.323 34.271 14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -23.221 35.658 13.950 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -23.718 34.475 12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -23.585 38.106 13.491 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -24.289 35.120 10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -23.493 39.821 11.735 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -24.204 36.835 8.779 1.00 0.00 H new ATOM 0 HZ PHE A 97 -23.807 39.190 9.377 1.00 0.00 H new ATOM 1571 N ALA A 98 -25.988 35.820 16.191 1.00 0.00 N ATOM 1572 CA ALA A 98 -26.182 36.674 17.349 1.00 0.00 C ATOM 1573 C ALA A 98 -25.074 36.445 18.366 1.00 0.00 C ATOM 1574 O ALA A 98 -24.359 35.443 18.299 1.00 0.00 O ATOM 1575 CB ALA A 98 -27.543 36.411 17.979 1.00 0.00 C ATOM 0 H ALA A 98 -26.253 34.846 16.338 1.00 0.00 H new ATOM 0 HA ALA A 98 -26.146 37.714 17.024 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -27.674 37.059 18.846 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -28.327 36.617 17.250 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -27.604 35.369 18.292 1.00 0.00 H new ATOM 1581 N LYS A 99 -24.929 37.370 19.303 1.00 0.00 N ATOM 1582 CA LYS A 99 -23.918 37.240 20.341 1.00 0.00 C ATOM 1583 C LYS A 99 -24.393 36.292 21.440 1.00 0.00 C ATOM 1584 O LYS A 99 -25.097 36.699 22.368 1.00 0.00 O ATOM 1585 CB LYS A 99 -23.548 38.615 20.916 1.00 0.00 C ATOM 1586 CG LYS A 99 -24.746 39.440 21.356 1.00 0.00 C ATOM 1587 CD LYS A 99 -24.337 40.829 21.809 1.00 0.00 C ATOM 1588 CE LYS A 99 -25.549 41.670 22.169 1.00 0.00 C ATOM 1589 NZ LYS A 99 -26.481 41.816 21.018 1.00 0.00 N ATOM 0 H LYS A 99 -25.496 38.215 19.366 1.00 0.00 H new ATOM 0 HA LYS A 99 -23.020 36.813 19.894 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -22.883 38.475 21.768 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -22.990 39.174 20.165 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -25.455 39.520 20.532 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -25.260 38.929 22.170 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -23.675 40.753 22.672 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -23.772 41.321 21.017 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -26.074 41.211 23.006 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -25.222 42.656 22.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -27.119 42.619 21.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -25.935 41.985 20.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -27.041 40.946 20.912 1.00 0.00 H new ATOM 1603 N ALA A 100 -24.042 35.015 21.278 1.00 0.00 N ATOM 1604 CA ALA A 100 -24.328 33.965 22.262 1.00 0.00 C ATOM 1605 C ALA A 100 -25.817 33.630 22.348 1.00 0.00 C ATOM 1606 O ALA A 100 -26.657 34.483 22.646 1.00 0.00 O ATOM 1607 CB ALA A 100 -23.787 34.345 23.635 1.00 0.00 C ATOM 0 H ALA A 100 -23.547 34.676 20.453 1.00 0.00 H new ATOM 0 HA ALA A 100 -23.817 33.066 21.917 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -24.011 33.551 24.347 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -22.708 34.484 23.575 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -24.254 35.272 23.966 1.00 0.00 H new ATOM 1613 N GLU A 101 -26.139 32.371 22.090 1.00 0.00 N ATOM 1614 CA GLU A 101 -27.496 31.876 22.268 1.00 0.00 C ATOM 1615 C GLU A 101 -27.780 31.718 23.753 1.00 0.00 C ATOM 1616 O GLU A 101 -28.810 32.170 24.260 1.00 0.00 O ATOM 1617 CB GLU A 101 -27.670 30.529 21.569 1.00 0.00 C ATOM 1618 CG GLU A 101 -27.475 30.588 20.066 1.00 0.00 C ATOM 1619 CD GLU A 101 -27.402 29.211 19.446 1.00 0.00 C ATOM 1620 OE1 GLU A 101 -26.288 28.645 19.379 1.00 0.00 O ATOM 1621 OE2 GLU A 101 -28.453 28.684 19.024 1.00 0.00 O ATOM 0 H GLU A 101 -25.476 31.671 21.756 1.00 0.00 H new ATOM 0 HA GLU A 101 -28.194 32.589 21.829 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -26.960 29.818 21.990 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -28.668 30.147 21.781 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -28.297 31.144 19.616 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -26.559 31.135 19.841 1.00 0.00 H new ATOM 1628 N PHE A 102 -26.843 31.085 24.447 1.00 0.00 N ATOM 1629 CA PHE A 102 -26.968 30.865 25.878 1.00 0.00 C ATOM 1630 C PHE A 102 -25.747 31.396 26.618 1.00 0.00 C ATOM 1631 O PHE A 102 -24.749 30.695 26.772 1.00 0.00 O ATOM 1632 CB PHE A 102 -27.147 29.377 26.193 1.00 0.00 C ATOM 1633 CG PHE A 102 -28.366 28.757 25.571 1.00 0.00 C ATOM 1634 CD1 PHE A 102 -29.614 28.920 26.148 1.00 0.00 C ATOM 1635 CD2 PHE A 102 -28.260 28.003 24.411 1.00 0.00 C ATOM 1636 CE1 PHE A 102 -30.733 28.343 25.583 1.00 0.00 C ATOM 1637 CE2 PHE A 102 -29.377 27.425 23.841 1.00 0.00 C ATOM 1638 CZ PHE A 102 -30.614 27.594 24.428 1.00 0.00 C ATOM 0 H PHE A 102 -25.985 30.714 24.038 1.00 0.00 H new ATOM 0 HA PHE A 102 -27.852 31.406 26.214 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -26.264 28.836 25.852 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -27.200 29.250 27.274 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -29.713 29.505 27.050 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -27.293 27.867 23.949 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -31.701 28.477 26.043 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -29.282 26.842 22.937 1.00 0.00 H new ATOM 0 HZ PHE A 102 -31.489 27.141 23.985 1.00 0.00 H new ATOM 1648 N ASP A 103 -25.820 32.645 27.048 1.00 0.00 N ATOM 1649 CA ASP A 103 -24.783 33.212 27.902 1.00 0.00 C ATOM 1650 C ASP A 103 -24.893 32.597 29.288 1.00 0.00 C ATOM 1651 O ASP A 103 -23.894 32.261 29.926 1.00 0.00 O ATOM 1652 CB ASP A 103 -24.926 34.733 27.984 1.00 0.00 C ATOM 1653 CG ASP A 103 -24.046 35.340 29.057 1.00 0.00 C ATOM 1654 OD1 ASP A 103 -22.846 35.570 28.796 1.00 0.00 O ATOM 1655 OD2 ASP A 103 -24.552 35.596 30.169 1.00 0.00 O ATOM 0 H ASP A 103 -26.582 33.285 26.822 1.00 0.00 H new ATOM 0 HA ASP A 103 -23.804 32.988 27.478 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -24.672 35.171 27.019 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -25.967 34.987 28.185 1.00 0.00 H new ATOM 1660 N ARG A 104 -26.132 32.448 29.730 1.00 0.00 N ATOM 1661 CA ARG A 104 -26.454 31.787 30.983 1.00 0.00 C ATOM 1662 C ARG A 104 -27.881 31.263 30.899 1.00 0.00 C ATOM 1663 O ARG A 104 -28.614 31.629 29.980 1.00 0.00 O ATOM 1664 CB ARG A 104 -26.276 32.748 32.161 1.00 0.00 C ATOM 1665 CG ARG A 104 -25.063 32.419 33.022 1.00 0.00 C ATOM 1666 CD ARG A 104 -24.372 33.672 33.539 1.00 0.00 C ATOM 1667 NE ARG A 104 -23.700 34.407 32.465 1.00 0.00 N ATOM 1668 CZ ARG A 104 -22.471 34.911 32.561 1.00 0.00 C ATOM 1669 NH1 ARG A 104 -21.796 34.807 33.701 1.00 0.00 N ATOM 1670 NH2 ARG A 104 -21.924 35.529 31.519 1.00 0.00 N ATOM 0 H ARG A 104 -26.950 32.786 29.223 1.00 0.00 H new ATOM 0 HA ARG A 104 -25.775 30.951 31.151 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -26.179 33.765 31.781 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -27.172 32.723 32.781 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -25.374 31.803 33.866 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -24.355 31.829 32.440 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -25.106 34.320 34.018 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -23.644 33.397 34.302 1.00 0.00 H new ATOM 0 HE ARG A 104 -24.205 34.541 31.589 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -22.219 34.341 34.504 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -20.855 35.193 33.773 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -22.445 35.617 30.647 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -20.983 35.915 31.592 1.00 0.00 H new ATOM 1684 N LEU A 105 -28.283 30.428 31.850 1.00 0.00 N ATOM 1685 CA LEU A 105 -29.574 29.735 31.768 1.00 0.00 C ATOM 1686 C LEU A 105 -30.745 30.619 32.206 1.00 0.00 C ATOM 1687 O LEU A 105 -31.690 30.142 32.838 1.00 0.00 O ATOM 1688 CB LEU A 105 -29.541 28.454 32.602 1.00 0.00 C ATOM 1689 CG LEU A 105 -28.581 27.378 32.088 1.00 0.00 C ATOM 1690 CD1 LEU A 105 -28.697 26.115 32.923 1.00 0.00 C ATOM 1691 CD2 LEU A 105 -28.857 27.068 30.625 1.00 0.00 C ATOM 0 H LEU A 105 -27.740 30.211 32.686 1.00 0.00 H new ATOM 0 HA LEU A 105 -29.735 29.485 30.719 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -29.264 28.710 33.625 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -30.547 28.036 32.640 1.00 0.00 H new ATOM 0 HG LEU A 105 -27.564 27.760 32.176 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -28.007 25.362 32.542 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -28.451 26.341 33.961 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -29.717 25.734 32.867 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -28.164 26.301 30.279 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -29.880 26.709 30.516 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -28.725 27.972 30.030 1.00 0.00 H new ATOM 1703 N TRP A 106 -30.665 31.896 31.844 1.00 0.00 N ATOM 1704 CA TRP A 106 -31.750 32.861 32.019 1.00 0.00 C ATOM 1705 C TRP A 106 -32.227 32.956 33.469 1.00 0.00 C ATOM 1706 O TRP A 106 -33.211 32.324 33.863 1.00 0.00 O ATOM 1707 CB TRP A 106 -32.923 32.521 31.091 1.00 0.00 C ATOM 1708 CG TRP A 106 -33.897 33.643 30.918 1.00 0.00 C ATOM 1709 CD1 TRP A 106 -35.096 33.794 31.549 1.00 0.00 C ATOM 1710 CD2 TRP A 106 -33.751 34.777 30.054 1.00 0.00 C ATOM 1711 NE1 TRP A 106 -35.708 34.948 31.127 1.00 0.00 N ATOM 1712 CE2 TRP A 106 -34.901 35.571 30.213 1.00 0.00 C ATOM 1713 CE3 TRP A 106 -32.756 35.201 29.167 1.00 0.00 C ATOM 1714 CZ2 TRP A 106 -35.087 36.760 29.513 1.00 0.00 C ATOM 1715 CZ3 TRP A 106 -32.943 36.380 28.472 1.00 0.00 C ATOM 1716 CH2 TRP A 106 -34.100 37.148 28.650 1.00 0.00 C ATOM 0 H TRP A 106 -29.832 32.298 31.414 1.00 0.00 H new ATOM 0 HA TRP A 106 -31.350 33.839 31.752 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -32.532 32.237 30.114 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -33.449 31.653 31.488 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -35.505 33.106 32.275 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -36.617 35.287 31.443 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -31.858 34.617 29.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -35.979 37.354 29.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -32.184 36.715 27.780 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -34.215 38.067 28.094 1.00 0.00 H new ATOM 1727 N LYS A 107 -31.506 33.737 34.260 1.00 0.00 N ATOM 1728 CA LYS A 107 -31.912 34.047 35.624 1.00 0.00 C ATOM 1729 C LYS A 107 -31.874 35.556 35.816 1.00 0.00 C ATOM 1730 O LYS A 107 -32.832 36.161 36.304 1.00 0.00 O ATOM 1731 CB LYS A 107 -31.001 33.350 36.641 1.00 0.00 C ATOM 1732 CG LYS A 107 -31.116 31.835 36.612 1.00 0.00 C ATOM 1733 CD LYS A 107 -30.180 31.182 37.613 1.00 0.00 C ATOM 1734 CE LYS A 107 -30.274 29.668 37.548 1.00 0.00 C ATOM 1735 NZ LYS A 107 -29.303 29.017 38.464 1.00 0.00 N ATOM 0 H LYS A 107 -30.628 34.172 33.977 1.00 0.00 H new ATOM 0 HA LYS A 107 -32.925 33.681 35.790 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -29.967 33.633 36.445 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -31.245 33.707 37.642 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -32.143 31.544 36.831 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -30.888 31.472 35.610 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -29.155 31.494 37.413 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -30.426 31.521 38.619 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -31.285 29.355 37.808 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -30.090 29.336 36.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -29.397 27.984 38.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -28.336 29.296 38.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -29.495 29.315 39.442 1.00 0.00 H new ATOM 1749 N LYS A 108 -30.757 36.150 35.411 1.00 0.00 N ATOM 1750 CA LYS A 108 -30.602 37.598 35.365 1.00 0.00 C ATOM 1751 C LYS A 108 -29.331 37.948 34.598 1.00 0.00 C ATOM 1752 O LYS A 108 -28.463 38.657 35.139 1.00 0.00 O ATOM 1753 CB LYS A 108 -30.580 38.207 36.774 1.00 0.00 C ATOM 1754 CG LYS A 108 -29.569 37.587 37.727 1.00 0.00 C ATOM 1755 CD LYS A 108 -29.581 38.312 39.057 1.00 0.00 C ATOM 1756 CE LYS A 108 -28.630 37.685 40.059 1.00 0.00 C ATOM 1757 NZ LYS A 108 -28.661 38.403 41.358 1.00 0.00 N ATOM 1758 OXT LYS A 108 -29.193 37.468 33.453 1.00 0.00 O ATOM 0 H LYS A 108 -29.930 35.638 35.104 1.00 0.00 H new ATOM 0 HA LYS A 108 -31.461 38.024 34.847 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -30.370 39.273 36.689 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -31.574 38.111 37.210 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -29.802 36.533 37.878 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -28.572 37.634 37.290 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -29.307 39.356 38.903 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -30.592 38.304 39.464 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -28.898 36.640 40.213 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -27.616 37.698 39.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -28.000 37.950 42.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -28.381 39.394 41.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -29.623 38.369 41.751 1.00 0.00 H new TER 1772 LYS A 108