USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 853 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 48 ASN :FLIP amide:sc= -0.637 F(o=-5.6!,f=-0.58) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.061 K(o=-0.58,f=-5.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0147 (180deg=-0.267) USER MOD Single : A 5 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.093) USER MOD Single : A 6 LYS NZ :NH3+ -171:sc= -2.09! (180deg=-2.63!) USER MOD Single : A 13 SER OG : rot 180:sc= -0.16 USER MOD Single : A 14 THR OG1 : rot 45:sc= 1.21 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 155:sc= -0.11 (180deg=-1.27) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.299 K(o=0.3,f=-5!) USER MOD Single : A 50 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.4!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -17:sc= 0.112 USER MOD Single : A 71 SER OG : rot -54:sc= 0.971 USER MOD Single : A 76 SER OG : rot -116:sc= -0.0214 USER MOD Single : A 89 MET CE :methyl 148:sc= -4.54! (180deg=-6.94!) USER MOD Single : A 91 LYS NZ :NH3+ -145:sc= -0.067 (180deg=-0.505) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -162:sc= -0.109 (180deg=-0.539) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 107 TYR OH : rot -108:sc= -1.51 USER MOD Single : A 110 THR OG1 : rot -48:sc= 0.8 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -0.371 F(o=-1.6!,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.751 -1.261 19.187 1.00 0.00 N ATOM 2 CA MET A 1 -12.934 -1.603 20.621 1.00 0.00 C ATOM 3 C MET A 1 -13.322 -0.369 21.429 1.00 0.00 C ATOM 4 O MET A 1 -12.506 0.530 21.631 1.00 0.00 O ATOM 5 CB MET A 1 -11.647 -2.206 21.189 1.00 0.00 C ATOM 6 CG MET A 1 -11.200 -3.472 20.476 1.00 0.00 C ATOM 7 SD MET A 1 -9.695 -4.168 21.182 1.00 0.00 S ATOM 8 CE MET A 1 -9.529 -5.667 20.214 1.00 0.00 C ATOM 0 H1 MET A 1 -12.706 -2.135 18.625 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.552 -0.682 18.863 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.867 -0.727 19.068 1.00 0.00 H new ATOM 0 HA MET A 1 -13.739 -2.335 20.694 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.851 -1.464 21.128 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.795 -2.428 22.246 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.997 -4.214 20.526 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.035 -3.252 19.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.640 -6.210 20.534 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.409 -6.293 20.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.437 -5.410 19.159 1.00 0.00 H new ATOM 18 N ALA A 2 -14.572 -0.338 21.886 1.00 0.00 N ATOM 19 CA ALA A 2 -15.083 0.781 22.675 1.00 0.00 C ATOM 20 C ALA A 2 -15.022 2.092 21.895 1.00 0.00 C ATOM 21 O ALA A 2 -16.012 2.510 21.293 1.00 0.00 O ATOM 22 CB ALA A 2 -14.317 0.903 23.985 1.00 0.00 C ATOM 0 H ALA A 2 -15.253 -1.079 21.722 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.130 0.578 22.898 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.711 1.741 24.560 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.430 -0.016 24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.261 1.071 23.775 1.00 0.00 H new ATOM 28 N ASP A 3 -13.858 2.735 21.909 1.00 0.00 N ATOM 29 CA ASP A 3 -13.671 3.998 21.201 1.00 0.00 C ATOM 30 C ASP A 3 -12.751 3.814 19.998 1.00 0.00 C ATOM 31 O ASP A 3 -12.353 2.695 19.677 1.00 0.00 O ATOM 32 CB ASP A 3 -13.091 5.052 22.145 1.00 0.00 C ATOM 33 CG ASP A 3 -11.757 4.634 22.733 1.00 0.00 C ATOM 34 OD1 ASP A 3 -10.719 4.866 22.077 1.00 0.00 O ATOM 35 OD2 ASP A 3 -11.750 4.072 23.848 1.00 0.00 O ATOM 0 H ASP A 3 -13.030 2.402 22.403 1.00 0.00 H new ATOM 0 HA ASP A 3 -14.644 4.336 20.844 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -12.968 5.991 21.605 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.798 5.240 22.953 1.00 0.00 H new ATOM 40 N GLU A 4 -12.422 4.924 19.339 1.00 0.00 N ATOM 41 CA GLU A 4 -11.545 4.901 18.167 1.00 0.00 C ATOM 42 C GLU A 4 -12.157 4.078 17.035 1.00 0.00 C ATOM 43 O GLU A 4 -12.792 4.626 16.134 1.00 0.00 O ATOM 44 CB GLU A 4 -10.167 4.347 18.540 1.00 0.00 C ATOM 45 CG GLU A 4 -9.174 4.356 17.389 1.00 0.00 C ATOM 46 CD GLU A 4 -7.807 3.839 17.795 1.00 0.00 C ATOM 47 OE1 GLU A 4 -6.992 4.643 18.294 1.00 0.00 O ATOM 48 OE2 GLU A 4 -7.552 2.629 17.614 1.00 0.00 O ATOM 0 H GLU A 4 -12.751 5.854 19.597 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.429 5.926 17.816 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.760 4.933 19.364 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.282 3.325 18.902 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.562 3.745 16.574 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.075 5.372 17.007 1.00 0.00 H new ATOM 55 N ASN A 5 -11.963 2.763 17.086 1.00 0.00 N ATOM 56 CA ASN A 5 -12.498 1.872 16.061 1.00 0.00 C ATOM 57 C ASN A 5 -13.984 1.613 16.290 1.00 0.00 C ATOM 58 O ASN A 5 -14.360 0.770 17.105 1.00 0.00 O ATOM 59 CB ASN A 5 -11.733 0.547 16.053 1.00 0.00 C ATOM 60 CG ASN A 5 -12.207 -0.385 14.955 1.00 0.00 C ATOM 61 OD1 ASN A 5 -13.143 -1.161 15.146 1.00 0.00 O ATOM 62 ND2 ASN A 5 -11.560 -0.315 13.797 1.00 0.00 N ATOM 0 H ASN A 5 -11.441 2.292 17.824 1.00 0.00 H new ATOM 0 HA ASN A 5 -12.375 2.358 15.093 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.669 0.745 15.924 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.851 0.056 17.019 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -11.834 -0.920 13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.789 0.343 13.682 1.00 0.00 H new ATOM 69 N LYS A 6 -14.824 2.348 15.568 1.00 0.00 N ATOM 70 CA LYS A 6 -16.270 2.198 15.687 1.00 0.00 C ATOM 71 C LYS A 6 -16.973 2.722 14.439 1.00 0.00 C ATOM 72 O LYS A 6 -18.094 2.318 14.129 1.00 0.00 O ATOM 73 CB LYS A 6 -16.782 2.925 16.936 1.00 0.00 C ATOM 74 CG LYS A 6 -16.331 4.376 17.035 1.00 0.00 C ATOM 75 CD LYS A 6 -17.284 5.318 16.313 1.00 0.00 C ATOM 76 CE LYS A 6 -18.473 5.700 17.185 1.00 0.00 C ATOM 77 NZ LYS A 6 -19.269 4.514 17.604 1.00 0.00 N ATOM 0 H LYS A 6 -14.528 3.054 14.894 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.497 1.136 15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.871 2.892 16.942 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.442 2.388 17.822 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.262 4.664 18.084 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -15.332 4.475 16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.748 6.219 16.015 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.641 4.843 15.399 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -18.117 6.227 18.070 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -19.115 6.391 16.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -20.147 4.830 18.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -19.503 3.940 16.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.714 3.942 18.273 1.00 0.00 H new ATOM 91 N TRP A 7 -16.304 3.625 13.728 1.00 0.00 N ATOM 92 CA TRP A 7 -16.854 4.205 12.508 1.00 0.00 C ATOM 93 C TRP A 7 -16.502 3.348 11.295 1.00 0.00 C ATOM 94 O TRP A 7 -16.607 3.795 10.153 1.00 0.00 O ATOM 95 CB TRP A 7 -16.331 5.631 12.319 1.00 0.00 C ATOM 96 CG TRP A 7 -14.859 5.765 12.564 1.00 0.00 C ATOM 97 CD1 TRP A 7 -14.256 6.157 13.725 1.00 0.00 C ATOM 98 CD2 TRP A 7 -13.803 5.510 11.630 1.00 0.00 C ATOM 99 NE1 TRP A 7 -12.892 6.161 13.571 1.00 0.00 N ATOM 100 CE2 TRP A 7 -12.587 5.767 12.294 1.00 0.00 C ATOM 101 CE3 TRP A 7 -13.765 5.087 10.299 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -11.352 5.616 11.671 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -12.538 4.938 9.681 1.00 0.00 C ATOM 104 CH2 TRP A 7 -11.346 5.202 10.367 1.00 0.00 C ATOM 0 H TRP A 7 -15.378 3.971 13.977 1.00 0.00 H new ATOM 0 HA TRP A 7 -17.940 4.236 12.601 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -16.554 5.960 11.304 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -16.866 6.298 12.995 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -14.777 6.425 14.632 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.215 6.416 14.290 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -14.679 4.880 9.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -10.431 5.818 12.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -12.498 4.613 8.652 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -10.403 5.076 9.856 1.00 0.00 H new ATOM 115 N VAL A 8 -16.091 2.112 11.557 1.00 0.00 N ATOM 116 CA VAL A 8 -15.717 1.180 10.498 1.00 0.00 C ATOM 117 C VAL A 8 -16.877 0.253 10.144 1.00 0.00 C ATOM 118 O VAL A 8 -16.824 -0.478 9.155 1.00 0.00 O ATOM 119 CB VAL A 8 -14.491 0.339 10.916 1.00 0.00 C ATOM 120 CG1 VAL A 8 -14.038 -0.574 9.786 1.00 0.00 C ATOM 121 CG2 VAL A 8 -13.352 1.245 11.359 1.00 0.00 C ATOM 0 H VAL A 8 -16.008 1.730 12.499 1.00 0.00 H new ATOM 0 HA VAL A 8 -15.461 1.771 9.618 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.785 -0.290 11.756 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.173 -1.153 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.849 -1.251 9.518 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.767 0.028 8.919 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.496 0.637 11.650 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -13.068 1.901 10.536 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -13.675 1.847 12.208 1.00 0.00 H new ATOM 131 N ARG A 9 -17.936 0.298 10.946 1.00 0.00 N ATOM 132 CA ARG A 9 -19.097 -0.551 10.708 1.00 0.00 C ATOM 133 C ARG A 9 -20.397 0.238 10.710 1.00 0.00 C ATOM 134 O ARG A 9 -21.474 -0.348 10.813 1.00 0.00 O ATOM 135 CB ARG A 9 -19.163 -1.669 11.747 1.00 0.00 C ATOM 136 CG ARG A 9 -18.119 -2.753 11.538 1.00 0.00 C ATOM 137 CD ARG A 9 -18.427 -3.994 12.362 1.00 0.00 C ATOM 138 NE ARG A 9 -17.609 -5.131 11.951 1.00 0.00 N ATOM 139 CZ ARG A 9 -18.105 -6.334 11.670 1.00 0.00 C ATOM 140 NH1 ARG A 9 -19.409 -6.559 11.770 1.00 0.00 N ATOM 141 NH2 ARG A 9 -17.296 -7.311 11.288 1.00 0.00 N ATOM 0 H ARG A 9 -18.014 0.908 11.760 1.00 0.00 H new ATOM 0 HA ARG A 9 -18.977 -0.985 9.715 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.035 -1.239 12.740 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -20.155 -2.121 11.721 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -18.076 -3.018 10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.136 -2.369 11.811 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -18.253 -3.783 13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -19.482 -4.248 12.258 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.601 -4.996 11.875 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -20.035 -5.809 12.063 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -19.785 -7.482 11.554 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.293 -7.141 11.209 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.676 -8.233 11.073 1.00 0.00 H new ATOM 155 N ARG A 10 -20.311 1.561 10.608 1.00 0.00 N ATOM 156 CA ARG A 10 -21.520 2.363 10.549 1.00 0.00 C ATOM 157 C ARG A 10 -22.261 1.972 9.282 1.00 0.00 C ATOM 158 O ARG A 10 -21.864 2.356 8.181 1.00 0.00 O ATOM 159 CB ARG A 10 -21.196 3.858 10.551 1.00 0.00 C ATOM 160 CG ARG A 10 -20.445 4.313 11.792 1.00 0.00 C ATOM 161 CD ARG A 10 -20.238 5.819 11.801 1.00 0.00 C ATOM 162 NE ARG A 10 -19.482 6.261 12.971 1.00 0.00 N ATOM 163 CZ ARG A 10 -19.350 7.536 13.329 1.00 0.00 C ATOM 164 NH1 ARG A 10 -19.924 8.493 12.613 1.00 0.00 N ATOM 165 NH2 ARG A 10 -18.644 7.854 14.405 1.00 0.00 N ATOM 0 H ARG A 10 -19.438 2.087 10.566 1.00 0.00 H new ATOM 0 HA ARG A 10 -22.137 2.177 11.428 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -20.601 4.094 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -22.124 4.423 10.470 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -20.999 4.016 12.682 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -19.478 3.812 11.837 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -19.711 6.118 10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -21.207 6.318 11.786 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.029 5.551 13.547 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.469 8.253 11.785 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.821 9.469 12.890 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.201 7.121 14.959 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.543 8.832 14.678 1.00 0.00 H new ATOM 179 N ASP A 11 -23.325 1.191 9.443 1.00 0.00 N ATOM 180 CA ASP A 11 -24.080 0.695 8.303 1.00 0.00 C ATOM 181 C ASP A 11 -23.182 -0.230 7.487 1.00 0.00 C ATOM 182 O ASP A 11 -23.310 -0.325 6.266 1.00 0.00 O ATOM 183 CB ASP A 11 -24.590 1.848 7.434 1.00 0.00 C ATOM 184 CG ASP A 11 -25.493 2.793 8.201 1.00 0.00 C ATOM 185 OD1 ASP A 11 -26.615 2.379 8.562 1.00 0.00 O ATOM 186 OD2 ASP A 11 -25.079 3.946 8.441 1.00 0.00 O ATOM 0 H ASP A 11 -23.681 0.890 10.350 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.951 0.146 8.661 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.740 2.404 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.133 1.443 6.580 1.00 0.00 H new ATOM 191 N VAL A 12 -22.268 -0.905 8.194 1.00 0.00 N ATOM 192 CA VAL A 12 -21.314 -1.828 7.580 1.00 0.00 C ATOM 193 C VAL A 12 -21.968 -2.651 6.486 1.00 0.00 C ATOM 194 O VAL A 12 -23.131 -3.039 6.596 1.00 0.00 O ATOM 195 CB VAL A 12 -20.688 -2.777 8.624 1.00 0.00 C ATOM 196 CG1 VAL A 12 -21.770 -3.469 9.438 1.00 0.00 C ATOM 197 CG2 VAL A 12 -19.782 -3.798 7.953 1.00 0.00 C ATOM 0 H VAL A 12 -22.171 -0.825 9.206 1.00 0.00 H new ATOM 0 HA VAL A 12 -20.525 -1.216 7.143 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.079 -2.180 9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -21.307 -4.133 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.369 -2.721 9.957 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -22.410 -4.050 8.774 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -19.352 -4.456 8.709 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -20.362 -4.390 7.245 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -18.981 -3.282 7.424 1.00 0.00 H new ATOM 207 N SER A 13 -21.206 -2.921 5.433 1.00 0.00 N ATOM 208 CA SER A 13 -21.718 -3.674 4.304 1.00 0.00 C ATOM 209 C SER A 13 -20.627 -3.903 3.260 1.00 0.00 C ATOM 210 O SER A 13 -19.959 -4.937 3.266 1.00 0.00 O ATOM 211 CB SER A 13 -22.886 -2.905 3.701 1.00 0.00 C ATOM 212 OG SER A 13 -23.224 -3.397 2.416 1.00 0.00 O ATOM 0 H SER A 13 -20.233 -2.628 5.341 1.00 0.00 H new ATOM 0 HA SER A 13 -22.055 -4.654 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 13 -23.751 -2.980 4.360 1.00 0.00 H new ATOM 0 HB3 SER A 13 -22.630 -1.848 3.631 1.00 0.00 H new ATOM 0 HG SER A 13 -23.978 -2.884 2.057 1.00 0.00 H new ATOM 218 N THR A 14 -20.454 -2.934 2.366 1.00 0.00 N ATOM 219 CA THR A 14 -19.436 -3.023 1.326 1.00 0.00 C ATOM 220 C THR A 14 -18.192 -2.245 1.745 1.00 0.00 C ATOM 221 O THR A 14 -18.156 -1.018 1.654 1.00 0.00 O ATOM 222 CB THR A 14 -19.954 -2.478 -0.018 1.00 0.00 C ATOM 223 OG1 THR A 14 -20.241 -1.080 0.094 1.00 0.00 O ATOM 224 CG2 THR A 14 -21.209 -3.220 -0.452 1.00 0.00 C ATOM 0 H THR A 14 -21.007 -2.077 2.342 1.00 0.00 H new ATOM 0 HA THR A 14 -19.186 -4.076 1.195 1.00 0.00 H new ATOM 0 HB THR A 14 -19.178 -2.630 -0.768 1.00 0.00 H new ATOM 0 HG1 THR A 14 -19.506 -0.632 0.562 1.00 0.00 H new ATOM 0 HG21 THR A 14 -21.558 -2.819 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 14 -20.984 -4.280 -0.566 1.00 0.00 H new ATOM 0 HG23 THR A 14 -21.986 -3.093 0.302 1.00 0.00 H new ATOM 232 N ALA A 15 -17.173 -2.964 2.206 1.00 0.00 N ATOM 233 CA ALA A 15 -15.945 -2.330 2.671 1.00 0.00 C ATOM 234 C ALA A 15 -14.933 -2.115 1.549 1.00 0.00 C ATOM 235 O ALA A 15 -14.666 -0.981 1.152 1.00 0.00 O ATOM 236 CB ALA A 15 -15.321 -3.159 3.782 1.00 0.00 C ATOM 0 H ALA A 15 -17.173 -3.982 2.267 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.217 -1.345 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.404 -2.678 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.021 -3.238 4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.090 -4.156 3.406 1.00 0.00 H new ATOM 242 N LEU A 16 -14.379 -3.208 1.035 1.00 0.00 N ATOM 243 CA LEU A 16 -13.376 -3.131 -0.024 1.00 0.00 C ATOM 244 C LEU A 16 -13.928 -2.452 -1.277 1.00 0.00 C ATOM 245 O LEU A 16 -13.169 -2.074 -2.170 1.00 0.00 O ATOM 246 CB LEU A 16 -12.851 -4.531 -0.358 1.00 0.00 C ATOM 247 CG LEU A 16 -13.716 -5.347 -1.325 1.00 0.00 C ATOM 248 CD1 LEU A 16 -13.031 -6.660 -1.671 1.00 0.00 C ATOM 249 CD2 LEU A 16 -15.090 -5.610 -0.725 1.00 0.00 C ATOM 0 H LEU A 16 -14.606 -4.157 1.333 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.551 -2.520 0.342 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.853 -4.433 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -12.747 -5.092 0.571 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.845 -4.769 -2.240 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -13.658 -7.228 -2.358 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.069 -6.456 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.874 -7.239 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -15.689 -6.191 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.980 -6.167 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -15.587 -4.661 -0.523 1.00 0.00 H new ATOM 261 N SER A 17 -15.247 -2.301 -1.341 1.00 0.00 N ATOM 262 CA SER A 17 -15.883 -1.662 -2.489 1.00 0.00 C ATOM 263 C SER A 17 -15.524 -0.178 -2.554 1.00 0.00 C ATOM 264 O SER A 17 -15.096 0.320 -3.596 1.00 0.00 O ATOM 265 CB SER A 17 -17.400 -1.832 -2.424 1.00 0.00 C ATOM 266 OG SER A 17 -18.024 -1.284 -3.574 1.00 0.00 O ATOM 0 H SER A 17 -15.894 -2.610 -0.616 1.00 0.00 H new ATOM 0 HA SER A 17 -15.513 -2.147 -3.392 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.647 -2.890 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.786 -1.344 -1.529 1.00 0.00 H new ATOM 0 HG SER A 17 -18.994 -1.407 -3.509 1.00 0.00 H new ATOM 272 N ARG A 18 -15.700 0.523 -1.433 1.00 0.00 N ATOM 273 CA ARG A 18 -15.392 1.950 -1.364 1.00 0.00 C ATOM 274 C ARG A 18 -15.471 2.465 0.073 1.00 0.00 C ATOM 275 O ARG A 18 -16.540 2.847 0.550 1.00 0.00 O ATOM 276 CB ARG A 18 -16.340 2.748 -2.264 1.00 0.00 C ATOM 277 CG ARG A 18 -17.809 2.412 -2.062 1.00 0.00 C ATOM 278 CD ARG A 18 -18.693 3.193 -3.021 1.00 0.00 C ATOM 279 NE ARG A 18 -18.377 2.900 -4.417 1.00 0.00 N ATOM 280 CZ ARG A 18 -18.802 3.634 -5.442 1.00 0.00 C ATOM 281 NH1 ARG A 18 -19.555 4.704 -5.229 1.00 0.00 N ATOM 282 NH2 ARG A 18 -18.470 3.300 -6.681 1.00 0.00 N ATOM 0 H ARG A 18 -16.054 0.126 -0.563 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.370 2.087 -1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.192 3.812 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.076 2.566 -3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.963 1.343 -2.211 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -18.097 2.636 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -19.739 2.953 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -18.572 4.261 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.797 2.085 -4.617 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -19.810 4.967 -4.277 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.879 5.265 -6.017 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.888 2.479 -6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.796 3.864 -7.466 1.00 0.00 H new ATOM 296 N MET A 19 -14.331 2.468 0.760 1.00 0.00 N ATOM 297 CA MET A 19 -14.270 2.938 2.140 1.00 0.00 C ATOM 298 C MET A 19 -13.089 3.879 2.349 1.00 0.00 C ATOM 299 O MET A 19 -13.216 4.918 2.997 1.00 0.00 O ATOM 300 CB MET A 19 -14.158 1.754 3.099 1.00 0.00 C ATOM 301 CG MET A 19 -15.457 0.987 3.276 1.00 0.00 C ATOM 302 SD MET A 19 -16.720 1.947 4.134 1.00 0.00 S ATOM 303 CE MET A 19 -18.011 0.720 4.325 1.00 0.00 C ATOM 0 H MET A 19 -13.438 2.150 0.383 1.00 0.00 H new ATOM 0 HA MET A 19 -15.190 3.485 2.346 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.391 1.072 2.732 1.00 0.00 H new ATOM 0 HB3 MET A 19 -13.824 2.116 4.072 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.835 0.689 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.261 0.071 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 19 -18.638 0.981 5.178 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.621 0.690 3.422 1.00 0.00 H new ATOM 0 HE3 MET A 19 -17.561 -0.259 4.492 1.00 0.00 H new ATOM 313 N GLY A 20 -11.940 3.507 1.794 1.00 0.00 N ATOM 314 CA GLY A 20 -10.749 4.324 1.933 1.00 0.00 C ATOM 315 C GLY A 20 -9.949 3.978 3.173 1.00 0.00 C ATOM 316 O GLY A 20 -8.720 4.045 3.165 1.00 0.00 O ATOM 0 H GLY A 20 -11.813 2.654 1.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.120 4.197 1.052 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.036 5.375 1.971 1.00 0.00 H new ATOM 320 N ASP A 21 -10.648 3.605 4.242 1.00 0.00 N ATOM 321 CA ASP A 21 -9.994 3.247 5.497 1.00 0.00 C ATOM 322 C ASP A 21 -10.695 2.065 6.155 1.00 0.00 C ATOM 323 O ASP A 21 -10.047 1.175 6.706 1.00 0.00 O ATOM 324 CB ASP A 21 -9.988 4.440 6.455 1.00 0.00 C ATOM 325 CG ASP A 21 -9.418 5.691 5.818 1.00 0.00 C ATOM 326 OD1 ASP A 21 -8.187 5.888 5.896 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.202 6.475 5.243 1.00 0.00 O ATOM 0 H ASP A 21 -11.666 3.543 4.264 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.966 2.964 5.272 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.006 4.638 6.790 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.404 4.188 7.340 1.00 0.00 H new ATOM 332 N GLU A 22 -12.024 2.064 6.096 1.00 0.00 N ATOM 333 CA GLU A 22 -12.815 0.992 6.687 1.00 0.00 C ATOM 334 C GLU A 22 -12.616 -0.311 5.923 1.00 0.00 C ATOM 335 O GLU A 22 -13.100 -1.365 6.337 1.00 0.00 O ATOM 336 CB GLU A 22 -14.298 1.364 6.699 1.00 0.00 C ATOM 337 CG GLU A 22 -14.587 2.687 7.383 1.00 0.00 C ATOM 338 CD GLU A 22 -14.476 3.872 6.443 1.00 0.00 C ATOM 339 OE1 GLU A 22 -15.482 4.198 5.779 1.00 0.00 O ATOM 340 OE2 GLU A 22 -13.385 4.476 6.374 1.00 0.00 O ATOM 0 H GLU A 22 -12.575 2.794 5.645 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.476 0.851 7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.661 1.408 5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.858 0.575 7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.590 2.659 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.893 2.821 8.213 1.00 0.00 H new ATOM 347 N ALA A 23 -11.904 -0.228 4.805 1.00 0.00 N ATOM 348 CA ALA A 23 -11.642 -1.396 3.977 1.00 0.00 C ATOM 349 C ALA A 23 -10.209 -1.881 4.144 1.00 0.00 C ATOM 350 O ALA A 23 -9.854 -2.964 3.679 1.00 0.00 O ATOM 351 CB ALA A 23 -11.927 -1.075 2.522 1.00 0.00 C ATOM 0 H ALA A 23 -11.498 0.638 4.452 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.304 -2.199 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.728 -1.955 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.972 -0.784 2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.286 -0.255 2.198 1.00 0.00 H new ATOM 357 N PHE A 24 -9.390 -1.075 4.810 1.00 0.00 N ATOM 358 CA PHE A 24 -7.998 -1.428 5.045 1.00 0.00 C ATOM 359 C PHE A 24 -7.901 -2.698 5.880 1.00 0.00 C ATOM 360 O PHE A 24 -7.154 -3.616 5.547 1.00 0.00 O ATOM 361 CB PHE A 24 -7.272 -0.286 5.748 1.00 0.00 C ATOM 362 CG PHE A 24 -5.808 -0.250 5.441 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.989 -1.307 5.800 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.251 0.832 4.785 1.00 0.00 C ATOM 365 CE1 PHE A 24 -3.641 -1.283 5.511 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.904 0.862 4.495 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.096 -0.197 4.858 1.00 0.00 C ATOM 0 H PHE A 24 -9.668 -0.173 5.196 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.524 -1.607 4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.723 0.661 5.453 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.410 -0.383 6.825 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.411 -2.159 6.312 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.878 1.663 4.497 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.012 -2.114 5.796 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.481 1.714 3.984 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.040 -0.175 4.631 1.00 0.00 H new ATOM 377 N GLU A 25 -8.650 -2.735 6.976 1.00 0.00 N ATOM 378 CA GLU A 25 -8.654 -3.895 7.856 1.00 0.00 C ATOM 379 C GLU A 25 -9.191 -5.142 7.148 1.00 0.00 C ATOM 380 O GLU A 25 -8.518 -6.169 7.132 1.00 0.00 O ATOM 381 CB GLU A 25 -9.478 -3.624 9.104 1.00 0.00 C ATOM 382 CG GLU A 25 -8.652 -3.186 10.302 1.00 0.00 C ATOM 383 CD GLU A 25 -9.508 -2.727 11.466 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.919 -3.586 12.274 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.764 -1.509 11.572 1.00 0.00 O ATOM 0 H GLU A 25 -9.261 -1.975 7.275 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.619 -4.082 8.142 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.215 -2.852 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.031 -4.526 9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.020 -4.014 10.625 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.987 -2.375 10.003 1.00 0.00 H new ATOM 392 N PRO A 26 -10.420 -5.093 6.570 1.00 0.00 N ATOM 393 CA PRO A 26 -10.987 -6.244 5.858 1.00 0.00 C ATOM 394 C PRO A 26 -9.993 -6.783 4.846 1.00 0.00 C ATOM 395 O PRO A 26 -10.067 -7.932 4.412 1.00 0.00 O ATOM 396 CB PRO A 26 -12.209 -5.671 5.138 1.00 0.00 C ATOM 397 CG PRO A 26 -12.578 -4.436 5.883 1.00 0.00 C ATOM 398 CD PRO A 26 -11.331 -3.932 6.563 1.00 0.00 C ATOM 0 HA PRO A 26 -11.236 -7.068 6.527 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.979 -5.445 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.032 -6.386 5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.976 -3.682 5.204 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.356 -4.648 6.616 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.897 -3.090 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.542 -3.587 7.575 1.00 0.00 H new ATOM 406 N LEU A 27 -9.065 -5.913 4.483 1.00 0.00 N ATOM 407 CA LEU A 27 -8.018 -6.213 3.537 1.00 0.00 C ATOM 408 C LEU A 27 -6.834 -6.855 4.256 1.00 0.00 C ATOM 409 O LEU A 27 -6.189 -7.767 3.738 1.00 0.00 O ATOM 410 CB LEU A 27 -7.619 -4.900 2.870 1.00 0.00 C ATOM 411 CG LEU A 27 -6.147 -4.752 2.503 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.773 -5.714 1.389 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.851 -3.318 2.099 1.00 0.00 C ATOM 0 H LEU A 27 -9.023 -4.962 4.848 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.359 -6.922 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.212 -4.783 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.890 -4.081 3.536 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.543 -4.998 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.718 -5.592 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.953 -6.738 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.379 -5.503 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.797 -3.224 1.839 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.463 -3.049 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.081 -2.651 2.930 1.00 0.00 H new ATOM 425 N LEU A 28 -6.562 -6.358 5.459 1.00 0.00 N ATOM 426 CA LEU A 28 -5.476 -6.867 6.288 1.00 0.00 C ATOM 427 C LEU A 28 -5.855 -8.217 6.892 1.00 0.00 C ATOM 428 O LEU A 28 -4.990 -9.009 7.268 1.00 0.00 O ATOM 429 CB LEU A 28 -5.160 -5.855 7.398 1.00 0.00 C ATOM 430 CG LEU A 28 -4.375 -6.401 8.594 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.957 -6.768 8.191 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.361 -5.384 9.725 1.00 0.00 C ATOM 0 H LEU A 28 -7.087 -5.594 5.885 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.590 -7.007 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.595 -5.031 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.099 -5.440 7.763 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.872 -7.306 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.420 -7.153 9.058 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.986 -7.531 7.414 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.446 -5.883 7.812 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.800 -5.786 10.569 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.890 -4.463 9.381 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.384 -5.173 10.037 1.00 0.00 H new ATOM 444 N GLU A 29 -7.158 -8.474 6.966 1.00 0.00 N ATOM 445 CA GLU A 29 -7.664 -9.720 7.525 1.00 0.00 C ATOM 446 C GLU A 29 -7.344 -10.897 6.608 1.00 0.00 C ATOM 447 O GLU A 29 -7.073 -12.005 7.070 1.00 0.00 O ATOM 448 CB GLU A 29 -9.178 -9.633 7.740 1.00 0.00 C ATOM 449 CG GLU A 29 -9.585 -8.667 8.839 1.00 0.00 C ATOM 450 CD GLU A 29 -11.071 -8.720 9.139 1.00 0.00 C ATOM 451 OE1 GLU A 29 -11.855 -8.141 8.359 1.00 0.00 O ATOM 452 OE2 GLU A 29 -11.450 -9.342 10.154 1.00 0.00 O ATOM 0 H GLU A 29 -7.883 -7.833 6.644 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.174 -9.880 8.485 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.651 -9.328 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.559 -10.625 7.981 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.026 -8.898 9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.313 -7.653 8.546 1.00 0.00 H new ATOM 459 N SER A 30 -7.379 -10.643 5.302 1.00 0.00 N ATOM 460 CA SER A 30 -7.102 -11.673 4.304 1.00 0.00 C ATOM 461 C SER A 30 -5.668 -12.180 4.407 1.00 0.00 C ATOM 462 O SER A 30 -5.367 -13.301 3.996 1.00 0.00 O ATOM 463 CB SER A 30 -7.358 -11.126 2.899 1.00 0.00 C ATOM 464 OG SER A 30 -8.740 -10.900 2.683 1.00 0.00 O ATOM 0 H SER A 30 -7.598 -9.728 4.909 1.00 0.00 H new ATOM 0 HA SER A 30 -7.772 -12.511 4.497 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.808 -10.195 2.762 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.981 -11.830 2.157 1.00 0.00 H new ATOM 0 HG SER A 30 -8.877 -10.549 1.778 1.00 0.00 H new ATOM 470 N LEU A 31 -4.786 -11.350 4.953 1.00 0.00 N ATOM 471 CA LEU A 31 -3.382 -11.719 5.104 1.00 0.00 C ATOM 472 C LEU A 31 -3.216 -12.846 6.118 1.00 0.00 C ATOM 473 O LEU A 31 -2.174 -13.499 6.170 1.00 0.00 O ATOM 474 CB LEU A 31 -2.556 -10.504 5.527 1.00 0.00 C ATOM 475 CG LEU A 31 -2.432 -9.405 4.470 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.822 -8.151 5.077 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.596 -9.888 3.294 1.00 0.00 C ATOM 0 H LEU A 31 -5.017 -10.418 5.298 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.022 -12.074 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.002 -10.075 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.555 -10.841 5.798 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.430 -9.162 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.741 -7.379 4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.457 -7.793 5.888 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.831 -8.381 5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.518 -9.093 2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.599 -10.157 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.071 -10.760 2.844 1.00 0.00 H new ATOM 489 N SER A 32 -4.250 -13.066 6.924 1.00 0.00 N ATOM 490 CA SER A 32 -4.222 -14.116 7.937 1.00 0.00 C ATOM 491 C SER A 32 -4.977 -15.352 7.457 1.00 0.00 C ATOM 492 O SER A 32 -5.260 -16.261 8.237 1.00 0.00 O ATOM 493 CB SER A 32 -4.829 -13.610 9.246 1.00 0.00 C ATOM 494 OG SER A 32 -4.087 -12.522 9.766 1.00 0.00 O ATOM 0 H SER A 32 -5.118 -12.531 6.895 1.00 0.00 H new ATOM 0 HA SER A 32 -3.182 -14.391 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.861 -13.302 9.077 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.853 -14.419 9.976 1.00 0.00 H new ATOM 0 HG SER A 32 -4.497 -12.216 10.602 1.00 0.00 H new ATOM 500 N ASN A 33 -5.298 -15.378 6.166 1.00 0.00 N ATOM 501 CA ASN A 33 -6.021 -16.498 5.581 1.00 0.00 C ATOM 502 C ASN A 33 -5.064 -17.614 5.170 1.00 0.00 C ATOM 503 O ASN A 33 -3.945 -17.354 4.726 1.00 0.00 O ATOM 504 CB ASN A 33 -6.823 -16.030 4.368 1.00 0.00 C ATOM 505 CG ASN A 33 -7.944 -16.982 4.015 1.00 0.00 C ATOM 506 OD1 ASN A 33 -7.775 -17.886 3.199 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.099 -16.783 4.635 1.00 0.00 N ATOM 0 H ASN A 33 -5.068 -14.635 5.507 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.703 -16.891 6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.239 -15.043 4.570 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.155 -15.926 3.513 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.893 -17.393 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.193 -16.020 5.305 1.00 0.00 H new ATOM 514 N GLU A 34 -5.509 -18.856 5.328 1.00 0.00 N ATOM 515 CA GLU A 34 -4.704 -20.014 4.980 1.00 0.00 C ATOM 516 C GLU A 34 -4.491 -20.100 3.469 1.00 0.00 C ATOM 517 O GLU A 34 -3.474 -20.617 3.005 1.00 0.00 O ATOM 518 CB GLU A 34 -5.386 -21.280 5.492 1.00 0.00 C ATOM 519 CG GLU A 34 -4.654 -22.554 5.128 1.00 0.00 C ATOM 520 CD GLU A 34 -3.327 -22.692 5.849 1.00 0.00 C ATOM 521 OE1 GLU A 34 -3.323 -23.190 6.995 1.00 0.00 O ATOM 522 OE2 GLU A 34 -2.293 -22.303 5.267 1.00 0.00 O ATOM 0 H GLU A 34 -6.432 -19.084 5.698 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.726 -19.914 5.450 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.476 -21.220 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.398 -21.325 5.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.284 -23.411 5.367 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.482 -22.575 4.052 1.00 0.00 H new ATOM 529 N ASP A 35 -5.455 -19.592 2.709 1.00 0.00 N ATOM 530 CA ASP A 35 -5.376 -19.614 1.252 1.00 0.00 C ATOM 531 C ASP A 35 -4.406 -18.555 0.740 1.00 0.00 C ATOM 532 O ASP A 35 -4.297 -17.470 1.313 1.00 0.00 O ATOM 533 CB ASP A 35 -6.761 -19.388 0.643 1.00 0.00 C ATOM 534 CG ASP A 35 -7.763 -20.439 1.081 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.202 -20.391 2.250 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.105 -21.313 0.256 1.00 0.00 O ATOM 0 H ASP A 35 -6.302 -19.159 3.078 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.007 -20.594 0.950 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.125 -18.401 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.683 -19.395 -0.444 1.00 0.00 H new ATOM 541 N TRP A 36 -3.702 -18.878 -0.341 1.00 0.00 N ATOM 542 CA TRP A 36 -2.741 -17.953 -0.934 1.00 0.00 C ATOM 543 C TRP A 36 -3.417 -17.064 -1.973 1.00 0.00 C ATOM 544 O TRP A 36 -3.026 -15.914 -2.167 1.00 0.00 O ATOM 545 CB TRP A 36 -1.583 -18.721 -1.572 1.00 0.00 C ATOM 546 CG TRP A 36 -2.027 -19.806 -2.504 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.294 -21.106 -2.179 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.256 -19.690 -3.912 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.674 -21.802 -3.301 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.659 -20.956 -4.375 1.00 0.00 C ATOM 551 CE3 TRP A 36 -2.160 -18.639 -4.828 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.966 -21.200 -5.709 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -2.466 -18.882 -6.154 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.865 -20.155 -6.583 1.00 0.00 C ATOM 0 H TRP A 36 -3.779 -19.773 -0.824 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.346 -17.319 -0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.950 -18.021 -2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.970 -19.158 -0.784 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.218 -21.525 -1.186 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.926 -22.790 -3.328 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.852 -17.655 -4.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.273 -22.180 -6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.396 -18.077 -6.871 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.097 -20.313 -7.626 1.00 0.00 H new ATOM 565 N ARG A 37 -4.428 -17.609 -2.642 1.00 0.00 N ATOM 566 CA ARG A 37 -5.167 -16.870 -3.656 1.00 0.00 C ATOM 567 C ARG A 37 -5.793 -15.613 -3.057 1.00 0.00 C ATOM 568 O ARG A 37 -5.884 -14.577 -3.717 1.00 0.00 O ATOM 569 CB ARG A 37 -6.250 -17.765 -4.266 1.00 0.00 C ATOM 570 CG ARG A 37 -6.842 -17.223 -5.558 1.00 0.00 C ATOM 571 CD ARG A 37 -8.031 -16.312 -5.296 1.00 0.00 C ATOM 572 NE ARG A 37 -8.608 -15.792 -6.532 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.690 -15.020 -6.575 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.316 -14.687 -5.455 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.149 -14.582 -7.740 1.00 0.00 N ATOM 0 H ARG A 37 -4.754 -18.565 -2.498 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.474 -16.565 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.827 -18.751 -4.457 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.051 -17.897 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.077 -16.673 -6.106 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.153 -18.053 -6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.793 -16.862 -4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.718 -15.480 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.155 -16.035 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.968 -15.023 -4.557 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.146 -14.095 -5.491 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.672 -14.837 -8.605 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -10.979 -13.990 -7.771 1.00 0.00 H new ATOM 589 N ILE A 38 -6.228 -15.713 -1.804 1.00 0.00 N ATOM 590 CA ILE A 38 -6.848 -14.586 -1.113 1.00 0.00 C ATOM 591 C ILE A 38 -5.799 -13.644 -0.522 1.00 0.00 C ATOM 592 O ILE A 38 -5.888 -12.426 -0.678 1.00 0.00 O ATOM 593 CB ILE A 38 -7.781 -15.067 0.015 1.00 0.00 C ATOM 594 CG1 ILE A 38 -8.731 -16.155 -0.498 1.00 0.00 C ATOM 595 CG2 ILE A 38 -8.567 -13.895 0.589 1.00 0.00 C ATOM 596 CD1 ILE A 38 -9.658 -15.691 -1.604 1.00 0.00 C ATOM 0 H ILE A 38 -6.163 -16.564 -1.246 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.432 -14.046 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.170 -15.495 0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -8.141 -16.997 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.331 -16.522 0.335 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.222 -14.251 1.385 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.875 -13.155 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.168 -13.439 -0.198 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.298 -16.517 -1.913 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.276 -14.870 -1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.068 -15.352 -2.455 1.00 0.00 H new ATOM 608 N ARG A 39 -4.809 -14.218 0.159 1.00 0.00 N ATOM 609 CA ARG A 39 -3.749 -13.433 0.789 1.00 0.00 C ATOM 610 C ARG A 39 -3.015 -12.558 -0.223 1.00 0.00 C ATOM 611 O ARG A 39 -2.704 -11.401 0.058 1.00 0.00 O ATOM 612 CB ARG A 39 -2.750 -14.355 1.491 1.00 0.00 C ATOM 613 CG ARG A 39 -1.601 -13.612 2.156 1.00 0.00 C ATOM 614 CD ARG A 39 -0.581 -14.572 2.745 1.00 0.00 C ATOM 615 NE ARG A 39 -0.055 -15.494 1.742 1.00 0.00 N ATOM 616 CZ ARG A 39 0.346 -16.732 2.015 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.296 -17.191 3.260 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.799 -17.512 1.045 1.00 0.00 N ATOM 0 H ARG A 39 -4.719 -15.226 0.289 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.221 -12.779 1.523 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.276 -14.942 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.345 -15.059 0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.114 -12.966 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.991 -12.967 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.241 -14.005 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.042 -15.140 3.553 1.00 0.00 H new ATOM 0 HE ARG A 39 0.008 -15.170 0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.051 -16.593 4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.604 -18.141 3.466 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.841 -17.163 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.106 -18.462 1.256 1.00 0.00 H new ATOM 632 N GLY A 40 -2.732 -13.116 -1.394 1.00 0.00 N ATOM 633 CA GLY A 40 -2.029 -12.367 -2.421 1.00 0.00 C ATOM 634 C GLY A 40 -2.728 -11.070 -2.783 1.00 0.00 C ATOM 635 O GLY A 40 -2.176 -9.987 -2.584 1.00 0.00 O ATOM 0 H GLY A 40 -2.976 -14.072 -1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.019 -12.146 -2.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.933 -12.985 -3.314 1.00 0.00 H new ATOM 639 N ALA A 41 -3.945 -11.183 -3.316 1.00 0.00 N ATOM 640 CA ALA A 41 -4.728 -10.016 -3.714 1.00 0.00 C ATOM 641 C ALA A 41 -4.725 -8.943 -2.632 1.00 0.00 C ATOM 642 O ALA A 41 -4.898 -7.758 -2.922 1.00 0.00 O ATOM 643 CB ALA A 41 -6.156 -10.427 -4.044 1.00 0.00 C ATOM 0 H ALA A 41 -4.410 -12.075 -3.482 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.263 -9.592 -4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.729 -9.548 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.148 -11.146 -4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.616 -10.882 -3.167 1.00 0.00 H new ATOM 649 N ALA A 42 -4.532 -9.358 -1.383 1.00 0.00 N ATOM 650 CA ALA A 42 -4.500 -8.418 -0.272 1.00 0.00 C ATOM 651 C ALA A 42 -3.317 -7.468 -0.414 1.00 0.00 C ATOM 652 O ALA A 42 -3.489 -6.251 -0.463 1.00 0.00 O ATOM 653 CB ALA A 42 -4.434 -9.159 1.054 1.00 0.00 C ATOM 0 H ALA A 42 -4.396 -10.334 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.418 -7.831 -0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.411 -8.439 1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.311 -9.798 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.533 -9.772 1.084 1.00 0.00 H new ATOM 659 N ALA A 43 -2.116 -8.032 -0.500 1.00 0.00 N ATOM 660 CA ALA A 43 -0.909 -7.229 -0.650 1.00 0.00 C ATOM 661 C ALA A 43 -0.944 -6.451 -1.964 1.00 0.00 C ATOM 662 O ALA A 43 -0.307 -5.408 -2.099 1.00 0.00 O ATOM 663 CB ALA A 43 0.324 -8.115 -0.603 1.00 0.00 C ATOM 0 H ALA A 43 -1.954 -9.039 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.864 -6.519 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.218 -7.501 -0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.361 -8.637 0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.279 -8.844 -1.412 1.00 0.00 H new ATOM 669 N TRP A 44 -1.701 -6.975 -2.928 1.00 0.00 N ATOM 670 CA TRP A 44 -1.827 -6.353 -4.244 1.00 0.00 C ATOM 671 C TRP A 44 -2.427 -4.948 -4.163 1.00 0.00 C ATOM 672 O TRP A 44 -1.939 -4.020 -4.809 1.00 0.00 O ATOM 673 CB TRP A 44 -2.686 -7.234 -5.156 1.00 0.00 C ATOM 674 CG TRP A 44 -1.874 -8.185 -5.976 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.337 -9.366 -5.560 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.499 -8.034 -7.350 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.639 -9.953 -6.586 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.727 -9.158 -7.696 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.739 -7.058 -8.322 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.192 -9.333 -8.969 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.209 -7.233 -9.588 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.442 -8.363 -9.901 1.00 0.00 C ATOM 0 H TRP A 44 -2.239 -7.835 -2.820 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.824 -6.257 -4.659 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.393 -7.798 -4.548 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.273 -6.599 -5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.445 -9.780 -4.568 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.136 -10.839 -6.530 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.328 -6.183 -8.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.399 -10.203 -9.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.389 -6.486 -10.347 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.040 -8.470 -10.898 1.00 0.00 H new ATOM 693 N ILE A 45 -3.487 -4.800 -3.373 1.00 0.00 N ATOM 694 CA ILE A 45 -4.167 -3.513 -3.228 1.00 0.00 C ATOM 695 C ILE A 45 -3.732 -2.772 -1.963 1.00 0.00 C ATOM 696 O ILE A 45 -3.913 -1.559 -1.850 1.00 0.00 O ATOM 697 CB ILE A 45 -5.704 -3.693 -3.203 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.160 -4.594 -4.358 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.402 -2.342 -3.271 1.00 0.00 C ATOM 700 CD1 ILE A 45 -5.806 -4.063 -5.734 1.00 0.00 C ATOM 0 H ILE A 45 -3.895 -5.555 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.883 -2.917 -4.095 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.978 -4.174 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.712 -5.580 -4.234 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.240 -4.725 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.482 -2.489 -3.252 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.104 -1.735 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.121 -1.833 -4.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.163 -4.757 -6.495 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.276 -3.091 -5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.724 -3.959 -5.817 1.00 0.00 H new ATOM 712 N ILE A 46 -3.154 -3.505 -1.016 1.00 0.00 N ATOM 713 CA ILE A 46 -2.723 -2.922 0.252 1.00 0.00 C ATOM 714 C ILE A 46 -1.749 -1.755 0.064 1.00 0.00 C ATOM 715 O ILE A 46 -1.770 -0.796 0.835 1.00 0.00 O ATOM 716 CB ILE A 46 -2.086 -3.992 1.171 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.350 -3.655 2.639 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.589 -4.122 0.912 1.00 0.00 C ATOM 719 CD1 ILE A 46 -1.998 -4.777 3.590 1.00 0.00 C ATOM 0 H ILE A 46 -2.973 -4.505 -1.102 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.622 -2.529 0.727 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.548 -4.953 0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.776 -2.768 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.403 -3.403 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.170 -4.881 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.423 -4.412 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.102 -3.166 1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.211 -4.467 4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.590 -5.659 3.347 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.938 -5.014 3.496 1.00 0.00 H new ATOM 731 N GLY A 47 -0.905 -1.833 -0.961 1.00 0.00 N ATOM 732 CA GLY A 47 0.063 -0.777 -1.203 1.00 0.00 C ATOM 733 C GLY A 47 -0.553 0.471 -1.807 1.00 0.00 C ATOM 734 O GLY A 47 0.034 1.552 -1.748 1.00 0.00 O ATOM 0 H GLY A 47 -0.874 -2.606 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.549 -0.516 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.840 -1.151 -1.870 1.00 0.00 H new ATOM 738 N ASN A 48 -1.738 0.323 -2.385 1.00 0.00 N ATOM 739 CA ASN A 48 -2.433 1.443 -3.016 1.00 0.00 C ATOM 740 C ASN A 48 -2.960 2.451 -1.991 1.00 0.00 C ATOM 741 O ASN A 48 -3.605 3.431 -2.363 1.00 0.00 O ATOM 742 CB ASN A 48 -3.590 0.922 -3.869 1.00 0.00 C ATOM 743 CG ASN A 48 -3.112 0.206 -5.119 1.00 0.00 C ATOM 744 OD1 ASN A 48 -2.817 -1.083 -4.989 1.00 0.00 O flip ATOM 745 ND2 ASN A 48 -3.007 0.807 -6.188 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.241 -0.563 -2.431 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.710 1.962 -3.645 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.198 0.241 -3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.231 1.756 -4.154 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.245 1.797 -6.242 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.682 0.315 -7.020 1.00 0.00 H new ATOM 752 N PHE A 49 -2.687 2.218 -0.710 1.00 0.00 N ATOM 753 CA PHE A 49 -3.157 3.120 0.341 1.00 0.00 C ATOM 754 C PHE A 49 -2.024 3.960 0.933 1.00 0.00 C ATOM 755 O PHE A 49 -2.276 4.985 1.568 1.00 0.00 O ATOM 756 CB PHE A 49 -3.840 2.322 1.451 1.00 0.00 C ATOM 757 CG PHE A 49 -5.092 1.623 1.004 1.00 0.00 C ATOM 758 CD1 PHE A 49 -6.317 2.265 1.066 1.00 0.00 C ATOM 759 CD2 PHE A 49 -5.041 0.324 0.522 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.472 1.626 0.655 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.192 -0.320 0.110 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.409 0.331 0.175 1.00 0.00 C ATOM 0 H PHE A 49 -2.148 1.420 -0.375 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.871 3.804 -0.117 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.140 1.583 1.839 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.083 2.994 2.274 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.371 3.277 1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.092 -0.189 0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.422 2.137 0.709 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.140 -1.332 -0.263 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.309 -0.171 -0.148 1.00 0.00 H new ATOM 772 N GLN A 50 -0.784 3.526 0.726 1.00 0.00 N ATOM 773 CA GLN A 50 0.377 4.246 1.252 1.00 0.00 C ATOM 774 C GLN A 50 0.276 4.429 2.763 1.00 0.00 C ATOM 775 O GLN A 50 0.323 5.552 3.267 1.00 0.00 O ATOM 776 CB GLN A 50 0.518 5.615 0.582 1.00 0.00 C ATOM 777 CG GLN A 50 1.243 5.562 -0.748 1.00 0.00 C ATOM 778 CD GLN A 50 0.325 5.233 -1.911 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.745 4.623 -2.894 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.936 5.640 -1.807 1.00 0.00 N ATOM 0 H GLN A 50 -0.555 2.683 0.200 1.00 0.00 H new ATOM 0 HA GLN A 50 1.259 3.645 1.030 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.474 6.041 0.430 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.054 6.286 1.253 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.724 6.523 -0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.035 4.815 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.243 6.143 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.597 5.449 -2.560 1.00 0.00 H new ATOM 789 N ASP A 51 0.135 3.323 3.482 1.00 0.00 N ATOM 790 CA ASP A 51 0.028 3.372 4.937 1.00 0.00 C ATOM 791 C ASP A 51 1.040 2.437 5.592 1.00 0.00 C ATOM 792 O ASP A 51 1.563 1.525 4.951 1.00 0.00 O ATOM 793 CB ASP A 51 -1.390 3.005 5.378 1.00 0.00 C ATOM 794 CG ASP A 51 -1.634 3.299 6.846 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.717 4.491 7.206 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.740 2.336 7.634 1.00 0.00 O ATOM 0 H ASP A 51 0.092 2.384 3.085 1.00 0.00 H new ATOM 0 HA ASP A 51 0.247 4.391 5.258 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.110 3.559 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.564 1.946 5.189 1.00 0.00 H new ATOM 801 N GLU A 52 1.311 2.670 6.874 1.00 0.00 N ATOM 802 CA GLU A 52 2.260 1.848 7.619 1.00 0.00 C ATOM 803 C GLU A 52 1.738 0.422 7.767 1.00 0.00 C ATOM 804 O GLU A 52 2.512 -0.533 7.832 1.00 0.00 O ATOM 805 CB GLU A 52 2.524 2.457 8.998 1.00 0.00 C ATOM 806 CG GLU A 52 1.333 2.374 9.939 1.00 0.00 C ATOM 807 CD GLU A 52 1.604 3.019 11.283 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.221 2.360 12.147 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.195 4.185 11.474 1.00 0.00 O ATOM 0 H GLU A 52 0.887 3.421 7.418 1.00 0.00 H new ATOM 0 HA GLU A 52 3.196 1.818 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.373 1.948 9.454 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.808 3.502 8.876 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.474 2.858 9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.066 1.328 10.090 1.00 0.00 H new ATOM 816 N ARG A 53 0.416 0.292 7.820 1.00 0.00 N ATOM 817 CA ARG A 53 -0.230 -1.009 7.958 1.00 0.00 C ATOM 818 C ARG A 53 -0.055 -1.836 6.686 1.00 0.00 C ATOM 819 O ARG A 53 -0.348 -3.032 6.664 1.00 0.00 O ATOM 820 CB ARG A 53 -1.720 -0.810 8.268 1.00 0.00 C ATOM 821 CG ARG A 53 -2.467 -2.090 8.610 1.00 0.00 C ATOM 822 CD ARG A 53 -3.718 -1.798 9.422 1.00 0.00 C ATOM 823 NE ARG A 53 -3.419 -1.035 10.631 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.245 -0.941 11.669 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.414 -1.566 11.649 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.900 -0.222 12.729 1.00 0.00 N ATOM 0 H ARG A 53 -0.233 1.078 7.769 1.00 0.00 H new ATOM 0 HA ARG A 53 0.238 -1.552 8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.815 -0.114 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.199 -0.343 7.407 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.740 -2.611 7.692 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.813 -2.756 9.172 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.427 -1.242 8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.200 -2.737 9.695 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.525 -0.546 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.682 -2.121 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.046 -1.492 12.447 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.001 0.259 12.748 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.534 -0.150 13.525 1.00 0.00 H new ATOM 840 N ALA A 54 0.427 -1.186 5.629 1.00 0.00 N ATOM 841 CA ALA A 54 0.636 -1.849 4.347 1.00 0.00 C ATOM 842 C ALA A 54 2.116 -2.084 4.088 1.00 0.00 C ATOM 843 O ALA A 54 2.501 -2.576 3.029 1.00 0.00 O ATOM 844 CB ALA A 54 0.034 -1.019 3.224 1.00 0.00 C ATOM 0 H ALA A 54 0.680 -0.198 5.637 1.00 0.00 H new ATOM 0 HA ALA A 54 0.139 -2.818 4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.196 -1.524 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.036 -0.899 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.510 -0.039 3.201 1.00 0.00 H new ATOM 850 N VAL A 55 2.941 -1.724 5.061 1.00 0.00 N ATOM 851 CA VAL A 55 4.384 -1.872 4.939 1.00 0.00 C ATOM 852 C VAL A 55 4.850 -3.284 5.287 1.00 0.00 C ATOM 853 O VAL A 55 5.521 -3.935 4.486 1.00 0.00 O ATOM 854 CB VAL A 55 5.113 -0.857 5.838 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.615 -1.012 5.716 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.692 0.561 5.489 1.00 0.00 C ATOM 0 H VAL A 55 2.633 -1.325 5.948 1.00 0.00 H new ATOM 0 HA VAL A 55 4.632 -1.681 3.895 1.00 0.00 H new ATOM 0 HB VAL A 55 4.834 -1.055 6.873 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.109 -0.285 6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.903 -2.019 6.018 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.915 -0.844 4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.217 1.266 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.940 0.768 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.617 0.668 5.634 1.00 0.00 H new ATOM 866 N GLU A 56 4.495 -3.754 6.480 1.00 0.00 N ATOM 867 CA GLU A 56 4.892 -5.090 6.919 1.00 0.00 C ATOM 868 C GLU A 56 4.373 -6.175 5.970 1.00 0.00 C ATOM 869 O GLU A 56 5.138 -7.048 5.559 1.00 0.00 O ATOM 870 CB GLU A 56 4.409 -5.364 8.344 1.00 0.00 C ATOM 871 CG GLU A 56 5.043 -6.600 8.960 1.00 0.00 C ATOM 872 CD GLU A 56 4.294 -7.097 10.181 1.00 0.00 C ATOM 873 OE1 GLU A 56 4.461 -6.497 11.264 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.540 -8.085 10.053 1.00 0.00 O ATOM 0 H GLU A 56 3.937 -3.234 7.157 1.00 0.00 H new ATOM 0 HA GLU A 56 5.981 -5.122 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.631 -4.499 8.969 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.326 -5.483 8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.080 -7.394 8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.073 -6.375 9.238 1.00 0.00 H new ATOM 881 N PRO A 57 3.067 -6.149 5.610 1.00 0.00 N ATOM 882 CA PRO A 57 2.479 -7.143 4.703 1.00 0.00 C ATOM 883 C PRO A 57 3.373 -7.453 3.511 1.00 0.00 C ATOM 884 O PRO A 57 3.383 -8.576 3.009 1.00 0.00 O ATOM 885 CB PRO A 57 1.197 -6.466 4.238 1.00 0.00 C ATOM 886 CG PRO A 57 0.786 -5.618 5.391 1.00 0.00 C ATOM 887 CD PRO A 57 2.058 -5.162 6.057 1.00 0.00 C ATOM 0 HA PRO A 57 2.326 -8.103 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.366 -5.866 3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.429 -7.198 3.990 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.196 -4.765 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.164 -6.182 6.086 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.327 -4.150 5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.960 -5.154 7.143 1.00 0.00 H new ATOM 895 N LEU A 58 4.122 -6.454 3.065 1.00 0.00 N ATOM 896 CA LEU A 58 5.017 -6.627 1.930 1.00 0.00 C ATOM 897 C LEU A 58 6.234 -7.454 2.324 1.00 0.00 C ATOM 898 O LEU A 58 6.547 -8.453 1.682 1.00 0.00 O ATOM 899 CB LEU A 58 5.468 -5.268 1.390 1.00 0.00 C ATOM 900 CG LEU A 58 4.410 -4.164 1.431 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.919 -2.912 0.734 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.109 -4.637 0.799 1.00 0.00 C ATOM 0 H LEU A 58 4.128 -5.518 3.471 1.00 0.00 H new ATOM 0 HA LEU A 58 4.471 -7.156 1.149 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.336 -4.938 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.796 -5.396 0.358 1.00 0.00 H new ATOM 0 HG LEU A 58 4.211 -3.921 2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.153 -2.137 0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.820 -2.557 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.149 -3.143 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.372 -3.835 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.288 -4.912 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.733 -5.503 1.344 1.00 0.00 H new ATOM 914 N ILE A 59 6.904 -7.034 3.390 1.00 0.00 N ATOM 915 CA ILE A 59 8.095 -7.723 3.874 1.00 0.00 C ATOM 916 C ILE A 59 7.870 -9.226 4.008 1.00 0.00 C ATOM 917 O ILE A 59 8.659 -10.029 3.508 1.00 0.00 O ATOM 918 CB ILE A 59 8.547 -7.166 5.241 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.745 -5.647 5.163 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.827 -7.852 5.700 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.856 -5.218 4.225 1.00 0.00 C ATOM 0 H ILE A 59 6.641 -6.215 3.939 1.00 0.00 H new ATOM 0 HA ILE A 59 8.873 -7.547 3.131 1.00 0.00 H new ATOM 0 HB ILE A 59 7.767 -7.373 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.812 -5.185 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.960 -5.267 6.162 1.00 0.00 H new ATOM 0 HG21 ILE A 59 10.131 -7.447 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.652 -8.924 5.795 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.616 -7.677 4.968 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.933 -4.131 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.800 -5.649 4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.635 -5.566 3.216 1.00 0.00 H new ATOM 933 N LYS A 60 6.791 -9.599 4.686 1.00 0.00 N ATOM 934 CA LYS A 60 6.470 -11.004 4.916 1.00 0.00 C ATOM 935 C LYS A 60 6.036 -11.734 3.642 1.00 0.00 C ATOM 936 O LYS A 60 6.306 -12.924 3.486 1.00 0.00 O ATOM 937 CB LYS A 60 5.375 -11.119 5.978 1.00 0.00 C ATOM 938 CG LYS A 60 4.162 -10.242 5.703 1.00 0.00 C ATOM 939 CD LYS A 60 2.950 -11.068 5.297 1.00 0.00 C ATOM 940 CE LYS A 60 2.431 -11.907 6.455 1.00 0.00 C ATOM 941 NZ LYS A 60 1.228 -12.696 6.074 1.00 0.00 N ATOM 0 H LYS A 60 6.120 -8.945 5.088 1.00 0.00 H new ATOM 0 HA LYS A 60 7.384 -11.486 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.053 -12.158 6.045 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.793 -10.852 6.949 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.924 -9.660 6.594 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.399 -9.531 4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.160 -10.406 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.215 -11.720 4.465 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.216 -12.583 6.794 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.187 -11.256 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.906 -13.254 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.470 -12.050 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.467 -13.336 5.290 1.00 0.00 H new ATOM 955 N LEU A 61 5.371 -11.026 2.733 1.00 0.00 N ATOM 956 CA LEU A 61 4.875 -11.647 1.504 1.00 0.00 C ATOM 957 C LEU A 61 5.881 -11.600 0.349 1.00 0.00 C ATOM 958 O LEU A 61 5.692 -12.278 -0.662 1.00 0.00 O ATOM 959 CB LEU A 61 3.563 -10.987 1.077 1.00 0.00 C ATOM 960 CG LEU A 61 2.492 -11.955 0.573 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.140 -12.971 1.647 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.251 -11.199 0.130 1.00 0.00 C ATOM 0 H LEU A 61 5.164 -10.031 2.821 1.00 0.00 H new ATOM 0 HA LEU A 61 4.712 -12.700 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.160 -10.431 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.776 -10.262 0.291 1.00 0.00 H new ATOM 0 HG LEU A 61 2.894 -12.489 -0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.376 -13.651 1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.030 -13.539 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.760 -12.453 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.501 -11.906 -0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.848 -10.636 0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.512 -10.512 -0.675 1.00 0.00 H new ATOM 974 N LEU A 62 6.940 -10.812 0.489 1.00 0.00 N ATOM 975 CA LEU A 62 7.945 -10.703 -0.562 1.00 0.00 C ATOM 976 C LEU A 62 8.800 -11.960 -0.635 1.00 0.00 C ATOM 977 O LEU A 62 9.526 -12.175 -1.606 1.00 0.00 O ATOM 978 CB LEU A 62 8.828 -9.481 -0.322 1.00 0.00 C ATOM 979 CG LEU A 62 8.191 -8.148 -0.707 1.00 0.00 C ATOM 980 CD1 LEU A 62 8.835 -7.004 0.061 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.310 -7.919 -2.205 1.00 0.00 C ATOM 0 H LEU A 62 7.125 -10.242 1.314 1.00 0.00 H new ATOM 0 HA LEU A 62 7.427 -10.588 -1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.099 -9.447 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.753 -9.602 -0.885 1.00 0.00 H new ATOM 0 HG LEU A 62 7.134 -8.182 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.367 -6.063 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.701 -7.163 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.900 -6.965 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.851 -6.965 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.362 -7.905 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.802 -8.723 -2.737 1.00 0.00 H new ATOM 993 N GLU A 63 8.706 -12.789 0.397 1.00 0.00 N ATOM 994 CA GLU A 63 9.470 -14.027 0.453 1.00 0.00 C ATOM 995 C GLU A 63 8.548 -15.242 0.447 1.00 0.00 C ATOM 996 O GLU A 63 8.990 -16.369 0.672 1.00 0.00 O ATOM 997 CB GLU A 63 10.353 -14.040 1.702 1.00 0.00 C ATOM 998 CG GLU A 63 9.613 -13.674 2.977 1.00 0.00 C ATOM 999 CD GLU A 63 10.489 -13.770 4.211 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.570 -14.871 4.795 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.093 -12.746 4.592 1.00 0.00 O ATOM 0 H GLU A 63 8.108 -12.626 1.207 1.00 0.00 H new ATOM 0 HA GLU A 63 10.102 -14.079 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.789 -15.032 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.179 -13.344 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.227 -12.659 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.753 -14.333 3.095 1.00 0.00 H new ATOM 1008 N ASP A 64 7.265 -15.005 0.192 1.00 0.00 N ATOM 1009 CA ASP A 64 6.278 -16.081 0.155 1.00 0.00 C ATOM 1010 C ASP A 64 6.617 -17.093 -0.931 1.00 0.00 C ATOM 1011 O ASP A 64 6.338 -18.285 -0.803 1.00 0.00 O ATOM 1012 CB ASP A 64 4.878 -15.508 -0.067 1.00 0.00 C ATOM 1013 CG ASP A 64 3.784 -16.464 0.365 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.752 -16.827 1.560 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.957 -16.844 -0.489 1.00 0.00 O ATOM 0 H ASP A 64 6.883 -14.077 0.008 1.00 0.00 H new ATOM 0 HA ASP A 64 6.298 -16.596 1.115 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.779 -14.574 0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.750 -15.268 -1.123 1.00 0.00 H new ATOM 1020 N ASP A 65 7.222 -16.594 -1.995 1.00 0.00 N ATOM 1021 CA ASP A 65 7.629 -17.421 -3.131 1.00 0.00 C ATOM 1022 C ASP A 65 6.481 -18.282 -3.661 1.00 0.00 C ATOM 1023 O ASP A 65 6.715 -19.325 -4.273 1.00 0.00 O ATOM 1024 CB ASP A 65 8.806 -18.316 -2.734 1.00 0.00 C ATOM 1025 CG ASP A 65 10.076 -17.525 -2.486 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.709 -17.094 -3.473 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.438 -17.338 -1.306 1.00 0.00 O ATOM 0 H ASP A 65 7.447 -15.605 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 65 7.931 -16.745 -3.931 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.547 -18.874 -1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.985 -19.047 -3.522 1.00 0.00 H new ATOM 1032 N SER A 66 5.244 -17.844 -3.438 1.00 0.00 N ATOM 1033 CA SER A 66 4.081 -18.594 -3.908 1.00 0.00 C ATOM 1034 C SER A 66 3.739 -18.219 -5.348 1.00 0.00 C ATOM 1035 O SER A 66 3.013 -18.941 -6.031 1.00 0.00 O ATOM 1036 CB SER A 66 2.876 -18.340 -3.004 1.00 0.00 C ATOM 1037 OG SER A 66 1.724 -19.009 -3.488 1.00 0.00 O ATOM 0 H SER A 66 5.022 -16.982 -2.940 1.00 0.00 H new ATOM 0 HA SER A 66 4.330 -19.655 -3.874 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.099 -18.679 -1.992 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.681 -17.269 -2.946 1.00 0.00 H new ATOM 0 HG SER A 66 1.860 -19.257 -4.426 1.00 0.00 H new ATOM 1043 N GLY A 67 4.270 -17.087 -5.799 1.00 0.00 N ATOM 1044 CA GLY A 67 4.015 -16.629 -7.153 1.00 0.00 C ATOM 1045 C GLY A 67 3.381 -15.255 -7.185 1.00 0.00 C ATOM 1046 O GLY A 67 4.035 -14.262 -6.869 1.00 0.00 O ATOM 0 H GLY A 67 4.874 -16.477 -5.249 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.952 -16.607 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.361 -17.340 -7.658 1.00 0.00 H new ATOM 1050 N PHE A 68 2.109 -15.186 -7.575 1.00 0.00 N ATOM 1051 CA PHE A 68 1.412 -13.907 -7.626 1.00 0.00 C ATOM 1052 C PHE A 68 1.385 -13.286 -6.237 1.00 0.00 C ATOM 1053 O PHE A 68 1.311 -12.066 -6.087 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.007 -14.075 -8.194 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.113 -14.023 -7.172 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.658 -12.808 -6.773 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -1.619 -15.191 -6.623 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.681 -12.764 -5.846 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -2.643 -15.151 -5.697 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.174 -13.937 -5.309 1.00 0.00 C ATOM 0 H PHE A 68 1.548 -15.990 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 68 1.948 -13.236 -8.297 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.180 -13.294 -8.935 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.062 -15.029 -8.718 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.277 -11.888 -7.192 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.208 -16.143 -6.923 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.095 -11.814 -5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.028 -16.068 -5.277 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.975 -13.905 -4.585 1.00 0.00 H new ATOM 1070 N VAL A 69 1.448 -14.142 -5.222 1.00 0.00 N ATOM 1071 CA VAL A 69 1.460 -13.689 -3.840 1.00 0.00 C ATOM 1072 C VAL A 69 2.780 -12.991 -3.542 1.00 0.00 C ATOM 1073 O VAL A 69 2.849 -12.086 -2.711 1.00 0.00 O ATOM 1074 CB VAL A 69 1.268 -14.862 -2.862 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.111 -14.356 -1.438 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.073 -15.710 -3.268 1.00 0.00 C ATOM 0 H VAL A 69 1.492 -15.155 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 69 0.631 -12.994 -3.705 1.00 0.00 H new ATOM 0 HB VAL A 69 2.159 -15.488 -2.903 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.977 -15.202 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.003 -13.800 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.241 -13.702 -1.378 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.045 -16.533 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.828 -15.096 -3.262 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.234 -16.109 -4.269 1.00 0.00 H new ATOM 1086 N ARG A 70 3.828 -13.429 -4.238 1.00 0.00 N ATOM 1087 CA ARG A 70 5.156 -12.856 -4.078 1.00 0.00 C ATOM 1088 C ARG A 70 5.260 -11.532 -4.830 1.00 0.00 C ATOM 1089 O ARG A 70 5.597 -10.498 -4.253 1.00 0.00 O ATOM 1090 CB ARG A 70 6.220 -13.829 -4.589 1.00 0.00 C ATOM 1091 CG ARG A 70 7.639 -13.286 -4.497 1.00 0.00 C ATOM 1092 CD ARG A 70 8.639 -14.239 -5.130 1.00 0.00 C ATOM 1093 NE ARG A 70 8.289 -14.553 -6.514 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.869 -15.518 -7.223 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.833 -16.254 -6.688 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.484 -15.745 -8.471 1.00 0.00 N ATOM 0 H ARG A 70 3.778 -14.184 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 70 5.325 -12.672 -3.017 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.157 -14.755 -4.018 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.003 -14.079 -5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.692 -12.317 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.901 -13.123 -3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.634 -13.795 -5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.682 -15.160 -4.548 1.00 0.00 H new ATOM 0 HE ARG A 70 7.558 -14.000 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.133 -16.082 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.274 -16.993 -7.236 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.744 -15.180 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.928 -16.485 -9.015 1.00 0.00 H new ATOM 1110 N SER A 71 4.965 -11.580 -6.127 1.00 0.00 N ATOM 1111 CA SER A 71 5.017 -10.395 -6.976 1.00 0.00 C ATOM 1112 C SER A 71 4.017 -9.347 -6.510 1.00 0.00 C ATOM 1113 O SER A 71 4.221 -8.151 -6.710 1.00 0.00 O ATOM 1114 CB SER A 71 4.735 -10.774 -8.430 1.00 0.00 C ATOM 1115 OG SER A 71 5.658 -11.744 -8.893 1.00 0.00 O ATOM 0 H SER A 71 4.686 -12.432 -6.614 1.00 0.00 H new ATOM 0 HA SER A 71 6.019 -9.971 -6.904 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.720 -11.162 -8.517 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.791 -9.885 -9.058 1.00 0.00 H new ATOM 0 HG SER A 71 6.572 -11.424 -8.742 1.00 0.00 H new ATOM 1121 N GLY A 72 2.938 -9.806 -5.886 1.00 0.00 N ATOM 1122 CA GLY A 72 1.916 -8.897 -5.403 1.00 0.00 C ATOM 1123 C GLY A 72 2.467 -7.853 -4.458 1.00 0.00 C ATOM 1124 O GLY A 72 2.370 -6.653 -4.720 1.00 0.00 O ATOM 0 H GLY A 72 2.753 -10.793 -5.706 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.445 -8.401 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.138 -9.467 -4.895 1.00 0.00 H new ATOM 1128 N ALA A 73 3.044 -8.311 -3.355 1.00 0.00 N ATOM 1129 CA ALA A 73 3.615 -7.413 -2.363 1.00 0.00 C ATOM 1130 C ALA A 73 4.732 -6.573 -2.969 1.00 0.00 C ATOM 1131 O ALA A 73 4.992 -5.455 -2.524 1.00 0.00 O ATOM 1132 CB ALA A 73 4.138 -8.208 -1.180 1.00 0.00 C ATOM 0 H ALA A 73 3.129 -9.301 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 73 2.831 -6.738 -2.019 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.563 -7.527 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.319 -8.767 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.907 -8.902 -1.519 1.00 0.00 H new ATOM 1138 N ALA A 74 5.385 -7.118 -3.990 1.00 0.00 N ATOM 1139 CA ALA A 74 6.479 -6.426 -4.660 1.00 0.00 C ATOM 1140 C ALA A 74 6.010 -5.124 -5.301 1.00 0.00 C ATOM 1141 O ALA A 74 6.666 -4.088 -5.176 1.00 0.00 O ATOM 1142 CB ALA A 74 7.105 -7.332 -5.710 1.00 0.00 C ATOM 0 H ALA A 74 5.174 -8.040 -4.372 1.00 0.00 H new ATOM 0 HA ALA A 74 7.227 -6.176 -3.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.921 -6.806 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.491 -8.232 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.352 -7.609 -6.448 1.00 0.00 H new ATOM 1148 N ARG A 75 4.873 -5.180 -5.988 1.00 0.00 N ATOM 1149 CA ARG A 75 4.321 -4.005 -6.657 1.00 0.00 C ATOM 1150 C ARG A 75 3.980 -2.907 -5.660 1.00 0.00 C ATOM 1151 O ARG A 75 4.109 -1.724 -5.964 1.00 0.00 O ATOM 1152 CB ARG A 75 3.057 -4.372 -7.437 1.00 0.00 C ATOM 1153 CG ARG A 75 3.201 -5.604 -8.309 1.00 0.00 C ATOM 1154 CD ARG A 75 1.867 -5.996 -8.920 1.00 0.00 C ATOM 1155 NE ARG A 75 1.586 -5.253 -10.145 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.622 -5.791 -11.362 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.930 -7.072 -11.517 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.351 -5.047 -12.426 1.00 0.00 N ATOM 0 H ARG A 75 4.315 -6.027 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 75 5.085 -3.638 -7.343 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.242 -4.533 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.773 -3.527 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.925 -5.411 -9.101 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.590 -6.431 -7.715 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.867 -7.064 -9.136 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.071 -5.817 -8.197 1.00 0.00 H new ATOM 0 HE ARG A 75 1.348 -4.264 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.140 -7.648 -10.702 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.957 -7.481 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.115 -4.061 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.379 -5.461 -13.358 1.00 0.00 H new ATOM 1172 N SER A 76 3.559 -3.309 -4.465 1.00 0.00 N ATOM 1173 CA SER A 76 3.165 -2.363 -3.427 1.00 0.00 C ATOM 1174 C SER A 76 4.226 -1.291 -3.204 1.00 0.00 C ATOM 1175 O SER A 76 3.907 -0.105 -3.122 1.00 0.00 O ATOM 1176 CB SER A 76 2.894 -3.100 -2.119 1.00 0.00 C ATOM 1177 OG SER A 76 1.918 -4.110 -2.300 1.00 0.00 O ATOM 0 H SER A 76 3.482 -4.288 -4.191 1.00 0.00 H new ATOM 0 HA SER A 76 2.254 -1.868 -3.764 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.818 -3.544 -1.749 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.555 -2.393 -1.362 1.00 0.00 H new ATOM 0 HG SER A 76 1.122 -3.894 -1.771 1.00 0.00 H new ATOM 1183 N LEU A 77 5.483 -1.709 -3.101 1.00 0.00 N ATOM 1184 CA LEU A 77 6.572 -0.765 -2.888 1.00 0.00 C ATOM 1185 C LEU A 77 6.588 0.277 -4.000 1.00 0.00 C ATOM 1186 O LEU A 77 6.532 1.477 -3.740 1.00 0.00 O ATOM 1187 CB LEU A 77 7.916 -1.495 -2.819 1.00 0.00 C ATOM 1188 CG LEU A 77 8.072 -2.449 -1.634 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.469 -3.806 -1.957 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.538 -2.591 -1.250 1.00 0.00 C ATOM 0 H LEU A 77 5.771 -2.686 -3.161 1.00 0.00 H new ATOM 0 HA LEU A 77 6.411 -0.260 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.054 -2.059 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.714 -0.753 -2.777 1.00 0.00 H new ATOM 0 HG LEU A 77 7.535 -2.030 -0.783 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.590 -4.471 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.408 -3.689 -2.179 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.976 -4.233 -2.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.628 -3.274 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.099 -2.986 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.938 -1.616 -0.973 1.00 0.00 H new ATOM 1202 N GLU A 78 6.664 -0.193 -5.241 1.00 0.00 N ATOM 1203 CA GLU A 78 6.669 0.695 -6.399 1.00 0.00 C ATOM 1204 C GLU A 78 5.404 1.551 -6.447 1.00 0.00 C ATOM 1205 O GLU A 78 5.439 2.695 -6.902 1.00 0.00 O ATOM 1206 CB GLU A 78 6.796 -0.117 -7.689 1.00 0.00 C ATOM 1207 CG GLU A 78 6.837 0.740 -8.943 1.00 0.00 C ATOM 1208 CD GLU A 78 6.922 -0.086 -10.211 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.039 -0.516 -10.565 1.00 0.00 O ATOM 1210 OE2 GLU A 78 5.871 -0.300 -10.851 1.00 0.00 O ATOM 0 H GLU A 78 6.723 -1.185 -5.471 1.00 0.00 H new ATOM 0 HA GLU A 78 7.528 1.360 -6.306 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.702 -0.721 -7.641 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.956 -0.808 -7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.945 1.366 -8.980 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.695 1.411 -8.892 1.00 0.00 H new ATOM 1217 N GLN A 79 4.289 0.996 -5.975 1.00 0.00 N ATOM 1218 CA GLN A 79 3.018 1.718 -5.975 1.00 0.00 C ATOM 1219 C GLN A 79 3.081 2.924 -5.044 1.00 0.00 C ATOM 1220 O GLN A 79 2.423 3.938 -5.280 1.00 0.00 O ATOM 1221 CB GLN A 79 1.865 0.796 -5.554 1.00 0.00 C ATOM 1222 CG GLN A 79 1.530 -0.280 -6.576 1.00 0.00 C ATOM 1223 CD GLN A 79 0.099 -0.774 -6.459 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -0.803 -0.249 -7.110 1.00 0.00 O ATOM 1225 NE2 GLN A 79 -0.119 -1.789 -5.626 1.00 0.00 N ATOM 0 H GLN A 79 4.240 0.053 -5.589 1.00 0.00 H new ATOM 0 HA GLN A 79 2.834 2.067 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.122 0.318 -4.609 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.976 1.401 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.693 0.114 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.212 -1.121 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.657 -2.196 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.062 -2.159 -5.509 1.00 0.00 H new ATOM 1234 N ILE A 80 3.878 2.806 -3.988 1.00 0.00 N ATOM 1235 CA ILE A 80 4.029 3.883 -3.020 1.00 0.00 C ATOM 1236 C ILE A 80 5.170 4.822 -3.408 1.00 0.00 C ATOM 1237 O ILE A 80 4.953 6.012 -3.637 1.00 0.00 O ATOM 1238 CB ILE A 80 4.288 3.321 -1.611 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.107 2.454 -1.163 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.535 4.452 -0.625 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.369 1.676 0.108 1.00 0.00 C ATOM 0 H ILE A 80 4.430 1.973 -3.781 1.00 0.00 H new ATOM 0 HA ILE A 80 3.096 4.447 -3.016 1.00 0.00 H new ATOM 0 HB ILE A 80 5.181 2.697 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.236 3.092 -1.015 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.858 1.755 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.716 4.037 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.405 5.028 -0.942 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.661 5.103 -0.592 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.488 1.086 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.220 1.011 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.588 2.369 0.920 1.00 0.00 H new ATOM 1253 N GLY A 81 6.381 4.275 -3.482 1.00 0.00 N ATOM 1254 CA GLY A 81 7.542 5.069 -3.847 1.00 0.00 C ATOM 1255 C GLY A 81 7.835 6.182 -2.857 1.00 0.00 C ATOM 1256 O GLY A 81 7.057 7.126 -2.723 1.00 0.00 O ATOM 0 H GLY A 81 6.579 3.292 -3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.413 4.417 -3.920 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.383 5.501 -4.835 1.00 0.00 H new ATOM 1260 N GLY A 82 8.967 6.074 -2.165 1.00 0.00 N ATOM 1261 CA GLY A 82 9.344 7.085 -1.195 1.00 0.00 C ATOM 1262 C GLY A 82 10.362 6.580 -0.192 1.00 0.00 C ATOM 1263 O GLY A 82 10.714 5.400 -0.196 1.00 0.00 O ATOM 0 H GLY A 82 9.629 5.304 -2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.753 7.950 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.454 7.424 -0.665 1.00 0.00 H new ATOM 1267 N GLU A 83 10.838 7.476 0.666 1.00 0.00 N ATOM 1268 CA GLU A 83 11.823 7.118 1.682 1.00 0.00 C ATOM 1269 C GLU A 83 11.250 6.100 2.665 1.00 0.00 C ATOM 1270 O GLU A 83 11.972 5.247 3.182 1.00 0.00 O ATOM 1271 CB GLU A 83 12.284 8.368 2.434 1.00 0.00 C ATOM 1272 CG GLU A 83 13.141 8.063 3.650 1.00 0.00 C ATOM 1273 CD GLU A 83 13.658 9.316 4.330 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.906 9.911 5.130 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.816 9.701 4.064 1.00 0.00 O ATOM 0 H GLU A 83 10.558 8.457 0.679 1.00 0.00 H new ATOM 0 HA GLU A 83 12.679 6.666 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.848 9.005 1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.409 8.936 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.558 7.481 4.364 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.985 7.443 3.348 1.00 0.00 H new ATOM 1282 N ARG A 84 9.950 6.197 2.917 1.00 0.00 N ATOM 1283 CA ARG A 84 9.278 5.287 3.835 1.00 0.00 C ATOM 1284 C ARG A 84 9.380 3.850 3.332 1.00 0.00 C ATOM 1285 O ARG A 84 9.847 2.964 4.047 1.00 0.00 O ATOM 1286 CB ARG A 84 7.810 5.702 4.012 1.00 0.00 C ATOM 1287 CG ARG A 84 7.098 6.022 2.704 1.00 0.00 C ATOM 1288 CD ARG A 84 6.297 4.838 2.202 1.00 0.00 C ATOM 1289 NE ARG A 84 4.946 4.814 2.756 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.308 3.701 3.104 1.00 0.00 C ATOM 1291 NH1 ARG A 84 4.902 2.523 2.970 1.00 0.00 N ATOM 1292 NH2 ARG A 84 3.076 3.764 3.590 1.00 0.00 N ATOM 0 H ARG A 84 9.340 6.898 2.497 1.00 0.00 H new ATOM 0 HA ARG A 84 9.770 5.341 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.274 4.900 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.765 6.576 4.662 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.435 6.875 2.849 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.831 6.312 1.951 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.242 4.874 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.813 3.914 2.465 1.00 0.00 H new ATOM 0 HE ARG A 84 4.464 5.704 2.883 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.851 2.469 2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.410 1.670 3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 84 2.616 4.668 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 84 2.588 2.909 3.856 1.00 0.00 H new ATOM 1306 N VAL A 85 8.943 3.630 2.099 1.00 0.00 N ATOM 1307 CA VAL A 85 8.997 2.308 1.487 1.00 0.00 C ATOM 1308 C VAL A 85 10.433 1.917 1.169 1.00 0.00 C ATOM 1309 O VAL A 85 10.748 0.737 1.020 1.00 0.00 O ATOM 1310 CB VAL A 85 8.151 2.229 0.197 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.757 1.710 0.504 1.00 0.00 C ATOM 1312 CG2 VAL A 85 8.078 3.586 -0.488 1.00 0.00 C ATOM 0 H VAL A 85 8.545 4.354 1.500 1.00 0.00 H new ATOM 0 HA VAL A 85 8.579 1.611 2.214 1.00 0.00 H new ATOM 0 HB VAL A 85 8.637 1.531 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.176 1.661 -0.417 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.828 0.714 0.942 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.266 2.382 1.208 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.477 3.505 -1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.621 4.310 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.083 3.917 -0.748 1.00 0.00 H new ATOM 1322 N ARG A 86 11.301 2.920 1.059 1.00 0.00 N ATOM 1323 CA ARG A 86 12.709 2.688 0.759 1.00 0.00 C ATOM 1324 C ARG A 86 13.332 1.749 1.787 1.00 0.00 C ATOM 1325 O ARG A 86 14.282 1.027 1.486 1.00 0.00 O ATOM 1326 CB ARG A 86 13.470 4.018 0.725 1.00 0.00 C ATOM 1327 CG ARG A 86 14.895 3.901 0.206 1.00 0.00 C ATOM 1328 CD ARG A 86 15.886 3.660 1.334 1.00 0.00 C ATOM 1329 NE ARG A 86 15.926 4.776 2.275 1.00 0.00 N ATOM 1330 CZ ARG A 86 16.934 5.006 3.111 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.994 4.207 3.118 1.00 0.00 N ATOM 1332 NH2 ARG A 86 16.886 6.040 3.939 1.00 0.00 N ATOM 0 H ARG A 86 11.052 3.902 1.174 1.00 0.00 H new ATOM 0 HA ARG A 86 12.778 2.218 -0.222 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.923 4.722 0.099 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.494 4.437 1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.955 3.083 -0.512 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.164 4.813 -0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.616 2.747 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 86 16.880 3.503 0.916 1.00 0.00 H new ATOM 0 HE ARG A 86 15.133 5.417 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 86 18.038 3.412 2.480 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.765 4.388 3.761 1.00 0.00 H new ATOM 0 HH21 ARG A 86 16.076 6.659 3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 86 17.659 6.216 4.580 1.00 0.00 H new ATOM 1346 N ALA A 87 12.785 1.758 2.998 1.00 0.00 N ATOM 1347 CA ALA A 87 13.282 0.904 4.066 1.00 0.00 C ATOM 1348 C ALA A 87 12.770 -0.517 3.885 1.00 0.00 C ATOM 1349 O ALA A 87 13.406 -1.480 4.314 1.00 0.00 O ATOM 1350 CB ALA A 87 12.867 1.452 5.423 1.00 0.00 C ATOM 0 H ALA A 87 11.997 2.349 3.263 1.00 0.00 H new ATOM 0 HA ALA A 87 14.371 0.889 4.021 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.247 0.801 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.277 2.454 5.552 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.779 1.494 5.481 1.00 0.00 H new ATOM 1356 N ALA A 88 11.611 -0.638 3.244 1.00 0.00 N ATOM 1357 CA ALA A 88 11.009 -1.938 2.991 1.00 0.00 C ATOM 1358 C ALA A 88 11.883 -2.762 2.055 1.00 0.00 C ATOM 1359 O ALA A 88 12.146 -3.937 2.315 1.00 0.00 O ATOM 1360 CB ALA A 88 9.613 -1.775 2.409 1.00 0.00 C ATOM 0 H ALA A 88 11.071 0.152 2.891 1.00 0.00 H new ATOM 0 HA ALA A 88 10.928 -2.468 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.178 -2.758 2.226 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.987 -1.226 3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.672 -1.224 1.470 1.00 0.00 H new ATOM 1366 N MET A 89 12.335 -2.144 0.964 1.00 0.00 N ATOM 1367 CA MET A 89 13.184 -2.839 0.005 1.00 0.00 C ATOM 1368 C MET A 89 14.537 -3.150 0.629 1.00 0.00 C ATOM 1369 O MET A 89 15.213 -4.094 0.226 1.00 0.00 O ATOM 1370 CB MET A 89 13.350 -2.029 -1.291 1.00 0.00 C ATOM 1371 CG MET A 89 13.952 -0.641 -1.120 1.00 0.00 C ATOM 1372 SD MET A 89 15.689 -0.661 -0.627 1.00 0.00 S ATOM 1373 CE MET A 89 16.406 -1.685 -1.909 1.00 0.00 C ATOM 0 H MET A 89 12.129 -1.174 0.726 1.00 0.00 H new ATOM 0 HA MET A 89 12.697 -3.778 -0.259 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.978 -2.597 -1.977 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.373 -1.927 -1.764 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.856 -0.094 -2.058 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.377 -0.095 -0.372 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.428 -1.360 -2.105 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.412 -2.725 -1.583 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.815 -1.594 -2.820 1.00 0.00 H new ATOM 1383 N GLU A 90 14.928 -2.348 1.615 1.00 0.00 N ATOM 1384 CA GLU A 90 16.190 -2.562 2.308 1.00 0.00 C ATOM 1385 C GLU A 90 16.105 -3.830 3.139 1.00 0.00 C ATOM 1386 O GLU A 90 17.060 -4.601 3.222 1.00 0.00 O ATOM 1387 CB GLU A 90 16.526 -1.369 3.206 1.00 0.00 C ATOM 1388 CG GLU A 90 17.068 -0.167 2.451 1.00 0.00 C ATOM 1389 CD GLU A 90 17.529 0.941 3.376 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.688 1.778 3.764 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.731 0.971 3.713 1.00 0.00 O ATOM 0 H GLU A 90 14.391 -1.548 1.949 1.00 0.00 H new ATOM 0 HA GLU A 90 16.983 -2.665 1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.629 -1.071 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.260 -1.681 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.902 -0.482 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.296 0.218 1.785 1.00 0.00 H new ATOM 1398 N LYS A 91 14.945 -4.034 3.753 1.00 0.00 N ATOM 1399 CA LYS A 91 14.711 -5.217 4.574 1.00 0.00 C ATOM 1400 C LYS A 91 14.635 -6.472 3.711 1.00 0.00 C ATOM 1401 O LYS A 91 15.010 -7.560 4.149 1.00 0.00 O ATOM 1402 CB LYS A 91 13.415 -5.058 5.371 1.00 0.00 C ATOM 1403 CG LYS A 91 13.028 -6.292 6.172 1.00 0.00 C ATOM 1404 CD LYS A 91 14.065 -6.625 7.231 1.00 0.00 C ATOM 1405 CE LYS A 91 13.661 -7.847 8.040 1.00 0.00 C ATOM 1406 NZ LYS A 91 12.354 -7.652 8.726 1.00 0.00 N ATOM 0 H LYS A 91 14.151 -3.395 3.698 1.00 0.00 H new ATOM 0 HA LYS A 91 15.548 -5.321 5.264 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.520 -4.213 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.605 -4.814 4.684 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.062 -6.128 6.649 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.911 -7.141 5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.029 -6.805 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.193 -5.772 7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.600 -8.714 7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.431 -8.063 8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.370 -8.136 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.186 -6.636 8.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.592 -8.048 8.140 1.00 0.00 H new ATOM 1420 N LEU A 92 14.152 -6.314 2.483 1.00 0.00 N ATOM 1421 CA LEU A 92 14.028 -7.430 1.566 1.00 0.00 C ATOM 1422 C LEU A 92 15.343 -7.646 0.822 1.00 0.00 C ATOM 1423 O LEU A 92 15.634 -8.747 0.362 1.00 0.00 O ATOM 1424 CB LEU A 92 12.868 -7.169 0.595 1.00 0.00 C ATOM 1425 CG LEU A 92 13.075 -7.648 -0.836 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.025 -9.168 -0.902 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.028 -7.035 -1.754 1.00 0.00 C ATOM 0 H LEU A 92 13.841 -5.420 2.104 1.00 0.00 H new ATOM 0 HA LEU A 92 13.809 -8.341 2.123 1.00 0.00 H new ATOM 0 HB2 LEU A 92 11.973 -7.649 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.672 -6.097 0.574 1.00 0.00 H new ATOM 0 HG LEU A 92 14.060 -7.325 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.175 -9.493 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 92 13.810 -9.586 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.054 -9.516 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.188 -7.386 -2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.033 -7.331 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.112 -5.949 -1.727 1.00 0.00 H new ATOM 1439 N ALA A 93 16.141 -6.589 0.721 1.00 0.00 N ATOM 1440 CA ALA A 93 17.431 -6.667 0.046 1.00 0.00 C ATOM 1441 C ALA A 93 18.368 -7.619 0.783 1.00 0.00 C ATOM 1442 O ALA A 93 19.242 -8.238 0.178 1.00 0.00 O ATOM 1443 CB ALA A 93 18.058 -5.285 -0.063 1.00 0.00 C ATOM 0 H ALA A 93 15.917 -5.668 1.098 1.00 0.00 H new ATOM 0 HA ALA A 93 17.268 -7.055 -0.959 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.020 -5.361 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.399 -4.630 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.205 -4.872 0.935 1.00 0.00 H new ATOM 1449 N GLU A 94 18.175 -7.736 2.098 1.00 0.00 N ATOM 1450 CA GLU A 94 18.999 -8.620 2.915 1.00 0.00 C ATOM 1451 C GLU A 94 18.511 -10.053 2.785 1.00 0.00 C ATOM 1452 O GLU A 94 19.269 -11.003 2.986 1.00 0.00 O ATOM 1453 CB GLU A 94 18.957 -8.196 4.385 1.00 0.00 C ATOM 1454 CG GLU A 94 19.084 -6.698 4.588 1.00 0.00 C ATOM 1455 CD GLU A 94 20.365 -6.135 4.004 1.00 0.00 C ATOM 1456 OE1 GLU A 94 21.417 -6.233 4.670 1.00 0.00 O ATOM 1457 OE2 GLU A 94 20.315 -5.594 2.879 1.00 0.00 O ATOM 0 H GLU A 94 17.457 -7.230 2.616 1.00 0.00 H new ATOM 0 HA GLU A 94 20.028 -8.552 2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.020 -8.536 4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 94 19.762 -8.697 4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 94 18.230 -6.200 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.047 -6.476 5.654 1.00 0.00 H new ATOM 1464 N THR A 95 17.234 -10.199 2.447 1.00 0.00 N ATOM 1465 CA THR A 95 16.638 -11.509 2.271 1.00 0.00 C ATOM 1466 C THR A 95 16.299 -11.716 0.805 1.00 0.00 C ATOM 1467 O THR A 95 15.513 -12.594 0.448 1.00 0.00 O ATOM 1468 CB THR A 95 15.362 -11.675 3.121 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.438 -10.620 2.829 1.00 0.00 O ATOM 1470 CG2 THR A 95 15.696 -11.668 4.605 1.00 0.00 C ATOM 0 H THR A 95 16.594 -9.420 2.290 1.00 0.00 H new ATOM 0 HA THR A 95 17.361 -12.255 2.602 1.00 0.00 H new ATOM 0 HB THR A 95 14.908 -12.634 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 95 13.630 -10.733 3.372 1.00 0.00 H new ATOM 0 HG21 THR A 95 14.780 -11.786 5.185 1.00 0.00 H new ATOM 0 HG22 THR A 95 16.376 -12.490 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.171 -10.723 4.867 1.00 0.00 H new ATOM 1478 N GLY A 96 16.912 -10.889 -0.037 1.00 0.00 N ATOM 1479 CA GLY A 96 16.678 -10.957 -1.459 1.00 0.00 C ATOM 1480 C GLY A 96 16.948 -12.325 -2.033 1.00 0.00 C ATOM 1481 O GLY A 96 18.056 -12.851 -1.928 1.00 0.00 O ATOM 0 H GLY A 96 17.573 -10.167 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.644 -10.679 -1.666 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.311 -10.226 -1.962 1.00 0.00 H new ATOM 1485 N THR A 97 15.925 -12.896 -2.644 1.00 0.00 N ATOM 1486 CA THR A 97 16.039 -14.213 -3.258 1.00 0.00 C ATOM 1487 C THR A 97 15.296 -14.269 -4.590 1.00 0.00 C ATOM 1488 O THR A 97 14.131 -13.880 -4.680 1.00 0.00 O ATOM 1489 CB THR A 97 15.494 -15.314 -2.329 1.00 0.00 C ATOM 1490 OG1 THR A 97 15.513 -16.578 -3.003 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.076 -14.993 -1.880 1.00 0.00 C ATOM 0 H THR A 97 15.002 -12.469 -2.730 1.00 0.00 H new ATOM 0 HA THR A 97 17.100 -14.389 -3.433 1.00 0.00 H new ATOM 0 HB THR A 97 16.133 -15.363 -1.448 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.167 -17.273 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.714 -15.785 -1.225 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.071 -14.046 -1.341 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.426 -14.918 -2.752 1.00 0.00 H new ATOM 1499 N GLY A 98 15.982 -14.758 -5.619 1.00 0.00 N ATOM 1500 CA GLY A 98 15.382 -14.864 -6.938 1.00 0.00 C ATOM 1501 C GLY A 98 14.755 -13.564 -7.403 1.00 0.00 C ATOM 1502 O GLY A 98 15.453 -12.580 -7.646 1.00 0.00 O ATOM 0 H GLY A 98 16.947 -15.084 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.143 -15.172 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.622 -15.645 -6.925 1.00 0.00 H new ATOM 1506 N PHE A 99 13.432 -13.566 -7.528 1.00 0.00 N ATOM 1507 CA PHE A 99 12.697 -12.385 -7.967 1.00 0.00 C ATOM 1508 C PHE A 99 12.536 -11.387 -6.823 1.00 0.00 C ATOM 1509 O PHE A 99 12.535 -10.176 -7.040 1.00 0.00 O ATOM 1510 CB PHE A 99 11.326 -12.803 -8.509 1.00 0.00 C ATOM 1511 CG PHE A 99 10.401 -11.654 -8.797 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.600 -10.841 -9.902 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.325 -11.394 -7.963 1.00 0.00 C ATOM 1514 CE1 PHE A 99 9.744 -9.788 -10.167 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.465 -10.345 -8.224 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.674 -9.541 -9.327 1.00 0.00 C ATOM 0 H PHE A 99 12.845 -14.376 -7.331 1.00 0.00 H new ATOM 0 HA PHE A 99 13.262 -11.897 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.469 -13.378 -9.424 1.00 0.00 H new ATOM 0 HB3 PHE A 99 10.849 -13.466 -7.787 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.432 -11.032 -10.563 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.157 -12.019 -7.099 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.911 -9.159 -11.029 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.630 -10.154 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.003 -8.721 -9.533 1.00 0.00 H new ATOM 1526 N ALA A 100 12.408 -11.908 -5.605 1.00 0.00 N ATOM 1527 CA ALA A 100 12.245 -11.072 -4.419 1.00 0.00 C ATOM 1528 C ALA A 100 13.353 -10.027 -4.311 1.00 0.00 C ATOM 1529 O ALA A 100 13.103 -8.884 -3.934 1.00 0.00 O ATOM 1530 CB ALA A 100 12.213 -11.939 -3.170 1.00 0.00 C ATOM 0 H ALA A 100 12.414 -12.910 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 100 11.298 -10.540 -4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.091 -11.306 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.378 -12.637 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.147 -12.496 -3.090 1.00 0.00 H new ATOM 1536 N ARG A 101 14.577 -10.421 -4.645 1.00 0.00 N ATOM 1537 CA ARG A 101 15.720 -9.512 -4.575 1.00 0.00 C ATOM 1538 C ARG A 101 15.598 -8.386 -5.599 1.00 0.00 C ATOM 1539 O ARG A 101 15.551 -7.210 -5.237 1.00 0.00 O ATOM 1540 CB ARG A 101 17.019 -10.280 -4.815 1.00 0.00 C ATOM 1541 CG ARG A 101 18.259 -9.396 -4.867 1.00 0.00 C ATOM 1542 CD ARG A 101 18.673 -8.918 -3.485 1.00 0.00 C ATOM 1543 NE ARG A 101 19.792 -7.980 -3.542 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.850 -8.046 -2.740 1.00 0.00 C ATOM 1545 NH1 ARG A 101 20.937 -9.006 -1.829 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.825 -7.154 -2.851 1.00 0.00 N ATOM 0 H ARG A 101 14.805 -11.362 -4.967 1.00 0.00 H new ATOM 0 HA ARG A 101 15.733 -9.072 -3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.144 -11.019 -4.023 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.937 -10.829 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 101 19.081 -9.950 -5.321 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.064 -8.535 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 101 17.824 -8.440 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 101 18.950 -9.776 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 101 19.759 -7.233 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.191 -9.696 -1.742 1.00 0.00 H new ATOM 0 HH12 ARG A 101 21.750 -9.054 -1.215 1.00 0.00 H new ATOM 0 HH21 ARG A 101 21.764 -6.416 -3.552 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.636 -7.206 -2.235 1.00 0.00 H new ATOM 1560 N LYS A 102 15.560 -8.757 -6.880 1.00 0.00 N ATOM 1561 CA LYS A 102 15.452 -7.780 -7.964 1.00 0.00 C ATOM 1562 C LYS A 102 14.342 -6.777 -7.682 1.00 0.00 C ATOM 1563 O LYS A 102 14.379 -5.642 -8.157 1.00 0.00 O ATOM 1564 CB LYS A 102 15.193 -8.490 -9.296 1.00 0.00 C ATOM 1565 CG LYS A 102 15.118 -7.545 -10.486 1.00 0.00 C ATOM 1566 CD LYS A 102 14.933 -8.299 -11.794 1.00 0.00 C ATOM 1567 CE LYS A 102 16.182 -9.079 -12.174 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.377 -8.197 -12.281 1.00 0.00 N ATOM 0 H LYS A 102 15.602 -9.727 -7.192 1.00 0.00 H new ATOM 0 HA LYS A 102 16.396 -7.239 -8.028 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.985 -9.218 -9.470 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.259 -9.047 -9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.290 -6.850 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 102 16.029 -6.949 -10.535 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.090 -8.984 -11.703 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.688 -7.595 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 102 16.367 -9.853 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.018 -9.585 -13.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.120 -8.683 -12.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 17.115 -7.315 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.732 -7.976 -11.329 1.00 0.00 H new ATOM 1582 N VAL A 103 13.354 -7.205 -6.907 1.00 0.00 N ATOM 1583 CA VAL A 103 12.235 -6.348 -6.549 1.00 0.00 C ATOM 1584 C VAL A 103 12.710 -5.123 -5.774 1.00 0.00 C ATOM 1585 O VAL A 103 12.397 -3.993 -6.134 1.00 0.00 O ATOM 1586 CB VAL A 103 11.200 -7.122 -5.707 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.304 -6.172 -4.921 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.364 -8.025 -6.599 1.00 0.00 C ATOM 0 H VAL A 103 13.306 -8.145 -6.514 1.00 0.00 H new ATOM 0 HA VAL A 103 11.765 -6.018 -7.475 1.00 0.00 H new ATOM 0 HB VAL A 103 11.742 -7.739 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.586 -6.748 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.914 -5.568 -4.250 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.770 -5.520 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.638 -8.565 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.840 -7.421 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.014 -8.738 -7.107 1.00 0.00 H new ATOM 1598 N ALA A 104 13.471 -5.363 -4.712 1.00 0.00 N ATOM 1599 CA ALA A 104 13.988 -4.290 -3.870 1.00 0.00 C ATOM 1600 C ALA A 104 14.966 -3.389 -4.622 1.00 0.00 C ATOM 1601 O ALA A 104 14.749 -2.185 -4.753 1.00 0.00 O ATOM 1602 CB ALA A 104 14.673 -4.886 -2.650 1.00 0.00 C ATOM 0 H ALA A 104 13.745 -6.299 -4.412 1.00 0.00 H new ATOM 0 HA ALA A 104 13.143 -3.673 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.059 -4.084 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.955 -5.478 -2.083 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.497 -5.524 -2.971 1.00 0.00 H new ATOM 1608 N VAL A 105 16.042 -3.993 -5.106 1.00 0.00 N ATOM 1609 CA VAL A 105 17.091 -3.274 -5.826 1.00 0.00 C ATOM 1610 C VAL A 105 16.551 -2.433 -6.981 1.00 0.00 C ATOM 1611 O VAL A 105 16.684 -1.211 -6.979 1.00 0.00 O ATOM 1612 CB VAL A 105 18.151 -4.250 -6.377 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.269 -3.493 -7.077 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.705 -5.122 -5.261 1.00 0.00 C ATOM 0 H VAL A 105 16.215 -4.994 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 105 17.542 -2.600 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 105 17.671 -4.898 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.005 -4.201 -7.458 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.856 -2.918 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.748 -2.816 -6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.451 -5.804 -5.669 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.166 -4.491 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.895 -5.697 -4.812 1.00 0.00 H new ATOM 1624 N ASN A 106 15.956 -3.089 -7.970 1.00 0.00 N ATOM 1625 CA ASN A 106 15.423 -2.394 -9.139 1.00 0.00 C ATOM 1626 C ASN A 106 14.420 -1.313 -8.747 1.00 0.00 C ATOM 1627 O ASN A 106 14.329 -0.274 -9.404 1.00 0.00 O ATOM 1628 CB ASN A 106 14.764 -3.392 -10.094 1.00 0.00 C ATOM 1629 CG ASN A 106 14.255 -2.731 -11.359 1.00 0.00 C ATOM 1630 OD1 ASN A 106 13.119 -2.261 -11.414 1.00 0.00 O ATOM 1631 ND2 ASN A 106 15.096 -2.693 -12.387 1.00 0.00 N ATOM 0 H ASN A 106 15.830 -4.101 -7.987 1.00 0.00 H new ATOM 0 HA ASN A 106 16.260 -1.908 -9.641 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.483 -4.168 -10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 106 13.935 -3.884 -9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 106 14.808 -2.262 -13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 106 16.029 -3.095 -12.298 1.00 0.00 H new ATOM 1638 N TYR A 107 13.665 -1.559 -7.683 1.00 0.00 N ATOM 1639 CA TYR A 107 12.664 -0.615 -7.216 1.00 0.00 C ATOM 1640 C TYR A 107 13.304 0.713 -6.822 1.00 0.00 C ATOM 1641 O TYR A 107 12.659 1.762 -6.851 1.00 0.00 O ATOM 1642 CB TYR A 107 11.897 -1.221 -6.041 1.00 0.00 C ATOM 1643 CG TYR A 107 11.236 -0.203 -5.151 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.198 0.590 -5.613 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.671 -0.030 -3.851 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.609 1.531 -4.794 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.091 0.908 -3.026 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.060 1.687 -3.503 1.00 0.00 C ATOM 1649 OH TYR A 107 9.482 2.627 -2.690 1.00 0.00 O ATOM 0 H TYR A 107 13.730 -2.411 -7.126 1.00 0.00 H new ATOM 0 HA TYR A 107 11.966 -0.413 -8.028 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.136 -1.899 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.583 -1.820 -5.443 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.846 0.470 -6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.479 -0.640 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.799 2.142 -5.164 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.442 1.032 -2.012 1.00 0.00 H new ATOM 0 HH TYR A 107 10.104 3.373 -2.559 1.00 0.00 H new ATOM 1659 N LEU A 108 14.577 0.656 -6.455 1.00 0.00 N ATOM 1660 CA LEU A 108 15.317 1.844 -6.046 1.00 0.00 C ATOM 1661 C LEU A 108 15.326 2.909 -7.140 1.00 0.00 C ATOM 1662 O LEU A 108 15.540 4.090 -6.866 1.00 0.00 O ATOM 1663 CB LEU A 108 16.755 1.466 -5.692 1.00 0.00 C ATOM 1664 CG LEU A 108 16.922 0.678 -4.393 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.347 0.163 -4.264 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.557 1.544 -3.197 1.00 0.00 C ATOM 0 H LEU A 108 15.122 -0.206 -6.432 1.00 0.00 H new ATOM 0 HA LEU A 108 14.816 2.260 -5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.171 0.878 -6.510 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.347 2.379 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 108 16.248 -0.178 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.449 -0.396 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.576 -0.490 -5.106 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.039 1.005 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.681 0.968 -2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.208 2.418 -3.168 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.520 1.867 -3.285 1.00 0.00 H new ATOM 1678 N GLU A 109 15.094 2.486 -8.376 1.00 0.00 N ATOM 1679 CA GLU A 109 15.094 3.405 -9.513 1.00 0.00 C ATOM 1680 C GLU A 109 13.679 3.869 -9.868 1.00 0.00 C ATOM 1681 O GLU A 109 13.478 4.547 -10.876 1.00 0.00 O ATOM 1682 CB GLU A 109 15.743 2.729 -10.726 1.00 0.00 C ATOM 1683 CG GLU A 109 16.130 3.697 -11.834 1.00 0.00 C ATOM 1684 CD GLU A 109 17.138 4.733 -11.377 1.00 0.00 C ATOM 1685 OE1 GLU A 109 16.715 5.773 -10.829 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.351 4.506 -11.567 1.00 0.00 O ATOM 0 H GLU A 109 14.903 1.514 -8.619 1.00 0.00 H new ATOM 0 HA GLU A 109 15.670 4.286 -9.231 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.633 2.192 -10.398 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.054 1.987 -11.129 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.545 3.137 -12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.236 4.202 -12.199 1.00 0.00 H new ATOM 1693 N THR A 110 12.701 3.510 -9.040 1.00 0.00 N ATOM 1694 CA THR A 110 11.315 3.888 -9.303 1.00 0.00 C ATOM 1695 C THR A 110 10.710 4.741 -8.185 1.00 0.00 C ATOM 1696 O THR A 110 9.680 5.384 -8.385 1.00 0.00 O ATOM 1697 CB THR A 110 10.429 2.646 -9.512 1.00 0.00 C ATOM 1698 OG1 THR A 110 10.418 1.848 -8.324 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.934 1.813 -10.681 1.00 0.00 C ATOM 0 H THR A 110 12.840 2.964 -8.190 1.00 0.00 H new ATOM 0 HA THR A 110 11.340 4.486 -10.214 1.00 0.00 H new ATOM 0 HB THR A 110 9.416 2.982 -9.734 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.337 1.720 -8.008 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.293 0.941 -10.810 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.917 2.414 -11.590 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.955 1.487 -10.481 1.00 0.00 H new ATOM 1707 N HIS A 111 11.343 4.751 -7.013 1.00 0.00 N ATOM 1708 CA HIS A 111 10.830 5.535 -5.889 1.00 0.00 C ATOM 1709 C HIS A 111 11.361 6.968 -5.939 1.00 0.00 C ATOM 1710 O HIS A 111 10.558 7.900 -5.724 1.00 0.00 O ATOM 1711 CB HIS A 111 11.192 4.874 -4.550 1.00 0.00 C ATOM 1712 CG HIS A 111 12.572 5.192 -4.062 1.00 0.00 C ATOM 1713 ND1 HIS A 111 13.760 4.587 -4.302 1.00 0.00 N flip ATOM 1714 CD2 HIS A 111 12.847 6.247 -3.219 1.00 0.00 C flip ATOM 1715 CE1 HIS A 111 14.719 5.283 -3.609 1.00 0.00 C flip ATOM 1716 NE2 HIS A 111 14.142 6.281 -2.964 1.00 0.00 N flip ATOM 1717 OXT HIS A 111 12.568 7.145 -6.206 1.00 0.00 O ATOM 0 H HIS A 111 12.200 4.233 -6.817 1.00 0.00 H new ATOM 0 HA HIS A 111 9.744 5.568 -5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.471 5.188 -3.796 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.095 3.793 -4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 111 12.116 6.939 -2.827 1.00 0.00 H new ATOM 0 HE1 HIS A 111 15.774 5.052 -3.594 1.00 0.00 H new ATOM 0 HE2 HIS A 111 14.616 6.962 -2.370 1.00 0.00 H new TER 1726 HIS A 111