USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=19 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 : amide:sc= -3.7 K(o=-8.9,f=-8.3!) USER MOD Set 1.2: A 79 GLN : amide:sc= -5.18! C(o=-8.9!,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 156:sc= -0.24 (180deg=-0.963) USER MOD Single : A 1 MET N :NH3+ 159:sc= 1.02 (180deg=0.4) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0752) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -139:sc= -1.1 (180deg=-3.22!) USER MOD Single : A 30 SER OG : rot 68:sc= 0.00929 USER MOD Single : A 32 SER OG : rot -30:sc= 0.831 USER MOD Single : A 33 ASN : amide:sc= -1.95! C(o=-1.9!,f=-3.9!) USER MOD Single : A 50 GLN : amide:sc= -2.04! K(o=-2!,f=-0.93) USER MOD Single : A 60 LYS NZ :NH3+ 163:sc= -0.0295 (180deg=-0.277) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 68:sc= 0.916 USER MOD Single : A 89 MET CE :methyl 141:sc= -3.49! (180deg=-4.81!) USER MOD Single : A 91 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.583) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc=-0.000524 K(o=-0.00052,f=-0.74) USER MOD Single : A 107 TYR OH : rot -110:sc= -0.154 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.598 13.192 11.983 1.00 0.00 N ATOM 2 CA MET A 1 -20.078 12.124 11.092 1.00 0.00 C ATOM 3 C MET A 1 -18.592 12.327 10.815 1.00 0.00 C ATOM 4 O MET A 1 -18.040 11.745 9.881 1.00 0.00 O ATOM 5 CB MET A 1 -20.849 12.109 9.768 1.00 0.00 C ATOM 6 CG MET A 1 -22.319 11.737 9.912 1.00 0.00 C ATOM 7 SD MET A 1 -23.292 13.012 10.737 1.00 0.00 S ATOM 8 CE MET A 1 -23.051 14.400 9.631 1.00 0.00 C ATOM 0 H1 MET A 1 -21.631 13.258 11.880 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.362 12.966 12.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.166 14.102 11.723 1.00 0.00 H new ATOM 0 HA MET A 1 -20.215 11.168 11.598 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.777 13.094 9.306 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.371 11.403 9.089 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.739 11.550 8.924 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.399 10.806 10.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.880 15.100 9.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.116 14.904 9.878 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.010 14.043 8.602 1.00 0.00 H new ATOM 18 N ALA A 2 -17.955 13.159 11.639 1.00 0.00 N ATOM 19 CA ALA A 2 -16.531 13.454 11.501 1.00 0.00 C ATOM 20 C ALA A 2 -16.244 14.210 10.205 1.00 0.00 C ATOM 21 O ALA A 2 -16.907 14.001 9.190 1.00 0.00 O ATOM 22 CB ALA A 2 -15.708 12.174 11.566 1.00 0.00 C ATOM 0 H ALA A 2 -18.408 13.643 12.414 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.242 14.095 12.334 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.650 12.416 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -15.875 11.683 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.009 11.506 10.759 1.00 0.00 H new ATOM 28 N ASP A 3 -15.249 15.090 10.252 1.00 0.00 N ATOM 29 CA ASP A 3 -14.872 15.882 9.087 1.00 0.00 C ATOM 30 C ASP A 3 -13.769 15.191 8.289 1.00 0.00 C ATOM 31 O ASP A 3 -13.317 15.705 7.265 1.00 0.00 O ATOM 32 CB ASP A 3 -14.408 17.274 9.522 1.00 0.00 C ATOM 33 CG ASP A 3 -15.492 18.039 10.256 1.00 0.00 C ATOM 34 OD1 ASP A 3 -16.269 18.756 9.590 1.00 0.00 O ATOM 35 OD2 ASP A 3 -15.563 17.925 11.498 1.00 0.00 O ATOM 0 H ASP A 3 -14.689 15.273 11.085 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.749 15.980 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -13.534 17.178 10.166 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -14.097 17.841 8.645 1.00 0.00 H new ATOM 40 N GLU A 4 -13.339 14.026 8.765 1.00 0.00 N ATOM 41 CA GLU A 4 -12.290 13.265 8.093 1.00 0.00 C ATOM 42 C GLU A 4 -12.872 12.058 7.364 1.00 0.00 C ATOM 43 O GLU A 4 -12.164 11.357 6.639 1.00 0.00 O ATOM 44 CB GLU A 4 -11.235 12.801 9.100 1.00 0.00 C ATOM 45 CG GLU A 4 -10.309 13.911 9.575 1.00 0.00 C ATOM 46 CD GLU A 4 -11.039 14.995 10.344 1.00 0.00 C ATOM 47 OE1 GLU A 4 -11.325 14.783 11.541 1.00 0.00 O ATOM 48 OE2 GLU A 4 -11.322 16.056 9.749 1.00 0.00 O ATOM 0 H GLU A 4 -13.700 13.589 9.613 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.820 13.921 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.737 12.365 9.964 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.637 12.010 8.647 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.531 13.483 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.810 14.356 8.714 1.00 0.00 H new ATOM 55 N ASN A 5 -14.164 11.821 7.562 1.00 0.00 N ATOM 56 CA ASN A 5 -14.843 10.699 6.924 1.00 0.00 C ATOM 57 C ASN A 5 -16.261 11.084 6.520 1.00 0.00 C ATOM 58 O ASN A 5 -17.184 11.041 7.334 1.00 0.00 O ATOM 59 CB ASN A 5 -14.878 9.493 7.864 1.00 0.00 C ATOM 60 CG ASN A 5 -15.607 8.308 7.261 1.00 0.00 C ATOM 61 OD1 ASN A 5 -16.825 8.185 7.386 1.00 0.00 O ATOM 62 ND2 ASN A 5 -14.863 7.426 6.604 1.00 0.00 N ATOM 0 H ASN A 5 -14.763 12.391 8.160 1.00 0.00 H new ATOM 0 HA ASN A 5 -14.286 10.432 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -13.858 9.200 8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -15.364 9.778 8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -15.299 6.608 6.179 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -13.856 7.567 6.524 1.00 0.00 H new ATOM 69 N LYS A 6 -16.427 11.468 5.259 1.00 0.00 N ATOM 70 CA LYS A 6 -17.732 11.859 4.744 1.00 0.00 C ATOM 71 C LYS A 6 -18.364 10.704 3.976 1.00 0.00 C ATOM 72 O LYS A 6 -19.578 10.505 4.016 1.00 0.00 O ATOM 73 CB LYS A 6 -17.597 13.088 3.841 1.00 0.00 C ATOM 74 CG LYS A 6 -18.773 14.052 3.924 1.00 0.00 C ATOM 75 CD LYS A 6 -20.063 13.415 3.431 1.00 0.00 C ATOM 76 CE LYS A 6 -21.190 14.432 3.340 1.00 0.00 C ATOM 77 NZ LYS A 6 -21.487 15.054 4.660 1.00 0.00 N ATOM 0 H LYS A 6 -15.672 11.517 4.575 1.00 0.00 H new ATOM 0 HA LYS A 6 -18.379 12.113 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -16.684 13.622 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -17.485 12.757 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.901 14.381 4.955 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.557 14.941 3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -19.897 12.966 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -20.353 12.609 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -20.920 15.209 2.625 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -22.088 13.946 2.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.325 15.664 4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.670 14.309 5.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -20.673 15.625 4.966 1.00 0.00 H new ATOM 91 N TRP A 7 -17.527 9.939 3.280 1.00 0.00 N ATOM 92 CA TRP A 7 -17.998 8.798 2.503 1.00 0.00 C ATOM 93 C TRP A 7 -18.026 7.531 3.354 1.00 0.00 C ATOM 94 O TRP A 7 -17.170 7.330 4.215 1.00 0.00 O ATOM 95 CB TRP A 7 -17.114 8.583 1.269 1.00 0.00 C ATOM 96 CG TRP A 7 -15.649 8.797 1.519 1.00 0.00 C ATOM 97 CD1 TRP A 7 -14.887 8.226 2.497 1.00 0.00 C ATOM 98 CD2 TRP A 7 -14.768 9.639 0.764 1.00 0.00 C ATOM 99 NE1 TRP A 7 -13.588 8.666 2.402 1.00 0.00 N ATOM 100 CE2 TRP A 7 -13.490 9.533 1.346 1.00 0.00 C ATOM 101 CE3 TRP A 7 -14.937 10.472 -0.344 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -12.389 10.229 0.854 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -13.843 11.162 -0.832 1.00 0.00 C ATOM 104 CH2 TRP A 7 -12.583 11.037 -0.233 1.00 0.00 C ATOM 0 H TRP A 7 -16.519 10.089 3.239 1.00 0.00 H new ATOM 0 HA TRP A 7 -19.014 9.015 2.174 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -17.264 7.568 0.900 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -17.440 9.261 0.480 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -15.252 7.530 3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -12.822 8.392 3.017 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -15.905 10.575 -0.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -11.416 10.134 1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -13.962 11.808 -1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -11.748 11.590 -0.637 1.00 0.00 H new ATOM 115 N VAL A 8 -19.023 6.684 3.111 1.00 0.00 N ATOM 116 CA VAL A 8 -19.163 5.434 3.850 1.00 0.00 C ATOM 117 C VAL A 8 -20.322 4.595 3.312 1.00 0.00 C ATOM 118 O VAL A 8 -21.492 4.899 3.552 1.00 0.00 O ATOM 119 CB VAL A 8 -19.361 5.688 5.363 1.00 0.00 C ATOM 120 CG1 VAL A 8 -20.470 6.703 5.604 1.00 0.00 C ATOM 121 CG2 VAL A 8 -19.652 4.386 6.095 1.00 0.00 C ATOM 0 H VAL A 8 -19.745 6.841 2.408 1.00 0.00 H new ATOM 0 HA VAL A 8 -18.235 4.880 3.710 1.00 0.00 H new ATOM 0 HB VAL A 8 -18.434 6.102 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -20.589 6.864 6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -20.211 7.646 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -21.404 6.327 5.187 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -19.788 4.588 7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -20.560 3.937 5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -18.817 3.698 5.960 1.00 0.00 H new ATOM 131 N ARG A 9 -19.982 3.541 2.572 1.00 0.00 N ATOM 132 CA ARG A 9 -20.979 2.641 1.999 1.00 0.00 C ATOM 133 C ARG A 9 -21.932 3.380 1.069 1.00 0.00 C ATOM 134 O ARG A 9 -23.020 2.889 0.766 1.00 0.00 O ATOM 135 CB ARG A 9 -21.763 1.939 3.112 1.00 0.00 C ATOM 136 CG ARG A 9 -20.880 1.169 4.080 1.00 0.00 C ATOM 137 CD ARG A 9 -21.695 0.512 5.183 1.00 0.00 C ATOM 138 NE ARG A 9 -20.861 -0.278 6.084 1.00 0.00 N ATOM 139 CZ ARG A 9 -21.348 -1.123 6.990 1.00 0.00 C ATOM 140 NH1 ARG A 9 -22.658 -1.274 7.124 1.00 0.00 N ATOM 141 NH2 ARG A 9 -20.522 -1.814 7.765 1.00 0.00 N ATOM 0 H ARG A 9 -19.018 3.289 2.355 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.450 1.893 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -22.336 2.682 3.667 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.481 1.253 2.663 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -20.322 0.407 3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.148 1.845 4.522 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -22.218 1.280 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -22.456 -0.129 4.738 1.00 0.00 H new ATOM 0 HE ARG A 9 -19.848 -0.177 6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -23.296 -0.742 6.532 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -23.028 -1.922 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -19.513 -1.698 7.667 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -20.896 -2.461 8.459 1.00 0.00 H new ATOM 155 N ARG A 10 -21.520 4.557 0.611 1.00 0.00 N ATOM 156 CA ARG A 10 -22.340 5.339 -0.302 1.00 0.00 C ATOM 157 C ARG A 10 -22.478 4.612 -1.633 1.00 0.00 C ATOM 158 O ARG A 10 -21.534 4.564 -2.422 1.00 0.00 O ATOM 159 CB ARG A 10 -21.731 6.728 -0.515 1.00 0.00 C ATOM 160 CG ARG A 10 -20.250 6.703 -0.858 1.00 0.00 C ATOM 161 CD ARG A 10 -19.740 8.089 -1.211 1.00 0.00 C ATOM 162 NE ARG A 10 -19.930 9.036 -0.117 1.00 0.00 N ATOM 163 CZ ARG A 10 -19.652 10.333 -0.205 1.00 0.00 C ATOM 164 NH1 ARG A 10 -19.193 10.842 -1.339 1.00 0.00 N ATOM 165 NH2 ARG A 10 -19.839 11.122 0.844 1.00 0.00 N ATOM 0 H ARG A 10 -20.628 4.987 0.856 1.00 0.00 H new ATOM 0 HA ARG A 10 -23.330 5.462 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -22.271 7.232 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -21.875 7.320 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -19.686 6.310 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -20.080 6.027 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.681 8.033 -1.462 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -20.259 8.451 -2.098 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.297 8.682 0.766 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -19.052 10.238 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -18.981 11.838 -1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.196 10.734 1.717 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.626 12.117 0.778 1.00 0.00 H new ATOM 179 N ASP A 11 -23.653 4.024 -1.862 1.00 0.00 N ATOM 180 CA ASP A 11 -23.925 3.282 -3.093 1.00 0.00 C ATOM 181 C ASP A 11 -23.172 1.952 -3.107 1.00 0.00 C ATOM 182 O ASP A 11 -23.420 1.095 -3.955 1.00 0.00 O ATOM 183 CB ASP A 11 -23.538 4.114 -4.317 1.00 0.00 C ATOM 184 CG ASP A 11 -23.979 3.477 -5.620 1.00 0.00 C ATOM 185 OD1 ASP A 11 -25.143 3.689 -6.021 1.00 0.00 O ATOM 186 OD2 ASP A 11 -23.160 2.767 -6.241 1.00 0.00 O ATOM 0 H ASP A 11 -24.435 4.048 -1.207 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.994 3.074 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -23.983 5.105 -4.233 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.457 4.250 -4.332 1.00 0.00 H new ATOM 191 N VAL A 12 -22.252 1.788 -2.159 1.00 0.00 N ATOM 192 CA VAL A 12 -21.461 0.567 -2.054 1.00 0.00 C ATOM 193 C VAL A 12 -22.225 -0.501 -1.273 1.00 0.00 C ATOM 194 O VAL A 12 -23.285 -0.226 -0.709 1.00 0.00 O ATOM 195 CB VAL A 12 -20.108 0.841 -1.360 1.00 0.00 C ATOM 196 CG1 VAL A 12 -19.127 -0.294 -1.607 1.00 0.00 C ATOM 197 CG2 VAL A 12 -19.524 2.166 -1.830 1.00 0.00 C ATOM 0 H VAL A 12 -22.036 2.489 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 12 -21.271 0.208 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.287 0.903 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -18.184 -0.075 -1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.539 -1.223 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.954 -0.399 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -18.571 2.341 -1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -19.367 2.133 -2.908 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -20.215 2.974 -1.589 1.00 0.00 H new ATOM 207 N SER A 13 -21.691 -1.719 -1.247 1.00 0.00 N ATOM 208 CA SER A 13 -22.332 -2.817 -0.531 1.00 0.00 C ATOM 209 C SER A 13 -21.318 -3.896 -0.162 1.00 0.00 C ATOM 210 O SER A 13 -21.522 -4.651 0.789 1.00 0.00 O ATOM 211 CB SER A 13 -23.452 -3.419 -1.380 1.00 0.00 C ATOM 212 OG SER A 13 -24.134 -4.441 -0.675 1.00 0.00 O ATOM 0 H SER A 13 -20.819 -1.970 -1.712 1.00 0.00 H new ATOM 0 HA SER A 13 -22.757 -2.418 0.390 1.00 0.00 H new ATOM 0 HB2 SER A 13 -24.156 -2.638 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 13 -23.036 -3.825 -2.302 1.00 0.00 H new ATOM 0 HG SER A 13 -24.846 -4.808 -1.239 1.00 0.00 H new ATOM 218 N THR A 14 -20.227 -3.966 -0.920 1.00 0.00 N ATOM 219 CA THR A 14 -19.184 -4.952 -0.665 1.00 0.00 C ATOM 220 C THR A 14 -18.164 -4.405 0.333 1.00 0.00 C ATOM 221 O THR A 14 -18.396 -3.369 0.958 1.00 0.00 O ATOM 222 CB THR A 14 -18.465 -5.359 -1.966 1.00 0.00 C ATOM 223 OG1 THR A 14 -19.350 -5.203 -3.082 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.990 -6.804 -1.898 1.00 0.00 C ATOM 0 H THR A 14 -20.043 -3.353 -1.714 1.00 0.00 H new ATOM 0 HA THR A 14 -19.664 -5.836 -0.245 1.00 0.00 H new ATOM 0 HB THR A 14 -17.597 -4.711 -2.090 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.886 -5.462 -3.906 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.486 -7.066 -2.828 1.00 0.00 H new ATOM 0 HG22 THR A 14 -17.297 -6.920 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.847 -7.462 -1.752 1.00 0.00 H new ATOM 232 N ALA A 15 -17.037 -5.097 0.481 1.00 0.00 N ATOM 233 CA ALA A 15 -16.002 -4.670 1.415 1.00 0.00 C ATOM 234 C ALA A 15 -14.927 -3.832 0.727 1.00 0.00 C ATOM 235 O ALA A 15 -14.806 -2.635 0.980 1.00 0.00 O ATOM 236 CB ALA A 15 -15.371 -5.882 2.085 1.00 0.00 C ATOM 0 H ALA A 15 -16.819 -5.951 -0.032 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.476 -4.043 2.170 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.599 -5.553 2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.136 -6.437 2.628 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.925 -6.526 1.327 1.00 0.00 H new ATOM 242 N LEU A 16 -14.158 -4.467 -0.149 1.00 0.00 N ATOM 243 CA LEU A 16 -13.078 -3.788 -0.862 1.00 0.00 C ATOM 244 C LEU A 16 -13.602 -2.942 -2.024 1.00 0.00 C ATOM 245 O LEU A 16 -12.859 -2.144 -2.596 1.00 0.00 O ATOM 246 CB LEU A 16 -12.028 -4.805 -1.352 1.00 0.00 C ATOM 247 CG LEU A 16 -12.406 -5.687 -2.559 1.00 0.00 C ATOM 248 CD1 LEU A 16 -13.849 -6.171 -2.482 1.00 0.00 C ATOM 249 CD2 LEU A 16 -12.153 -4.952 -3.869 1.00 0.00 C ATOM 0 H LEU A 16 -14.261 -5.454 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.600 -3.106 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.121 -4.257 -1.606 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.781 -5.462 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.765 -6.568 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.073 -6.789 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.988 -6.759 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.520 -5.312 -2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.427 -5.595 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.753 -4.043 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.097 -4.692 -3.942 1.00 0.00 H new ATOM 261 N SER A 17 -14.874 -3.124 -2.371 1.00 0.00 N ATOM 262 CA SER A 17 -15.487 -2.386 -3.477 1.00 0.00 C ATOM 263 C SER A 17 -15.147 -0.897 -3.427 1.00 0.00 C ATOM 264 O SER A 17 -14.675 -0.333 -4.415 1.00 0.00 O ATOM 265 CB SER A 17 -17.004 -2.571 -3.460 1.00 0.00 C ATOM 266 OG SER A 17 -17.618 -1.842 -4.511 1.00 0.00 O ATOM 0 H SER A 17 -15.502 -3.777 -1.903 1.00 0.00 H new ATOM 0 HA SER A 17 -15.080 -2.791 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.246 -3.629 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.403 -2.240 -2.501 1.00 0.00 H new ATOM 0 HG SER A 17 -18.588 -1.978 -4.480 1.00 0.00 H new ATOM 272 N ARG A 18 -15.381 -0.262 -2.279 1.00 0.00 N ATOM 273 CA ARG A 18 -15.090 1.163 -2.126 1.00 0.00 C ATOM 274 C ARG A 18 -15.320 1.631 -0.692 1.00 0.00 C ATOM 275 O ARG A 18 -16.446 1.940 -0.303 1.00 0.00 O ATOM 276 CB ARG A 18 -15.951 1.995 -3.079 1.00 0.00 C ATOM 277 CG ARG A 18 -15.610 3.476 -3.064 1.00 0.00 C ATOM 278 CD ARG A 18 -16.530 4.272 -3.976 1.00 0.00 C ATOM 279 NE ARG A 18 -16.216 5.698 -3.955 1.00 0.00 N ATOM 280 CZ ARG A 18 -17.096 6.653 -4.243 1.00 0.00 C ATOM 281 NH1 ARG A 18 -18.342 6.336 -4.572 1.00 0.00 N ATOM 282 NH2 ARG A 18 -16.730 7.926 -4.199 1.00 0.00 N ATOM 0 H ARG A 18 -15.768 -0.708 -1.447 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.038 1.306 -2.371 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -15.831 1.612 -4.093 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -17.000 1.869 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.687 3.857 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.576 3.615 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.444 3.896 -4.996 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.565 4.123 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 18 -15.267 5.978 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.628 5.357 -4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -19.014 7.071 -4.792 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.774 8.173 -3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.405 8.659 -4.420 1.00 0.00 H new ATOM 296 N MET A 19 -14.245 1.676 0.089 1.00 0.00 N ATOM 297 CA MET A 19 -14.328 2.121 1.476 1.00 0.00 C ATOM 298 C MET A 19 -13.213 3.110 1.794 1.00 0.00 C ATOM 299 O MET A 19 -13.441 4.128 2.448 1.00 0.00 O ATOM 300 CB MET A 19 -14.252 0.928 2.428 1.00 0.00 C ATOM 301 CG MET A 19 -15.431 -0.023 2.309 1.00 0.00 C ATOM 302 SD MET A 19 -17.014 0.796 2.579 1.00 0.00 S ATOM 303 CE MET A 19 -18.146 -0.570 2.333 1.00 0.00 C ATOM 0 H MET A 19 -13.308 1.410 -0.214 1.00 0.00 H new ATOM 0 HA MET A 19 -15.287 2.621 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.331 0.378 2.234 1.00 0.00 H new ATOM 0 HB3 MET A 19 -14.194 1.295 3.453 1.00 0.00 H new ATOM 0 HG2 MET A 19 -15.426 -0.479 1.319 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.316 -0.830 3.032 1.00 0.00 H new ATOM 0 HE1 MET A 19 -19.011 -0.228 1.765 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.642 -1.365 1.784 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.474 -0.949 3.301 1.00 0.00 H new ATOM 313 N GLY A 20 -12.006 2.803 1.327 1.00 0.00 N ATOM 314 CA GLY A 20 -10.871 3.672 1.575 1.00 0.00 C ATOM 315 C GLY A 20 -10.561 3.807 3.052 1.00 0.00 C ATOM 316 O GLY A 20 -9.787 4.678 3.453 1.00 0.00 O ATOM 0 H GLY A 20 -11.795 1.968 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.996 3.280 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.073 4.658 1.157 1.00 0.00 H new ATOM 320 N ASP A 21 -11.165 2.943 3.864 1.00 0.00 N ATOM 321 CA ASP A 21 -10.957 2.973 5.308 1.00 0.00 C ATOM 322 C ASP A 21 -11.563 1.742 5.977 1.00 0.00 C ATOM 323 O ASP A 21 -10.862 0.971 6.633 1.00 0.00 O ATOM 324 CB ASP A 21 -11.571 4.242 5.901 1.00 0.00 C ATOM 325 CG ASP A 21 -11.491 4.274 7.414 1.00 0.00 C ATOM 326 OD1 ASP A 21 -12.421 3.757 8.068 1.00 0.00 O ATOM 327 OD2 ASP A 21 -10.500 4.817 7.945 1.00 0.00 O ATOM 0 H ASP A 21 -11.803 2.213 3.546 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.883 2.970 5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.058 5.114 5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.614 4.314 5.594 1.00 0.00 H new ATOM 332 N GLU A 22 -12.870 1.567 5.808 1.00 0.00 N ATOM 333 CA GLU A 22 -13.576 0.434 6.399 1.00 0.00 C ATOM 334 C GLU A 22 -13.121 -0.886 5.787 1.00 0.00 C ATOM 335 O GLU A 22 -13.362 -1.954 6.349 1.00 0.00 O ATOM 336 CB GLU A 22 -15.086 0.595 6.213 1.00 0.00 C ATOM 337 CG GLU A 22 -15.668 1.793 6.942 1.00 0.00 C ATOM 338 CD GLU A 22 -15.514 1.689 8.448 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.376 1.053 9.089 1.00 0.00 O ATOM 340 OE2 GLU A 22 -14.533 2.244 8.985 1.00 0.00 O ATOM 0 H GLU A 22 -13.463 2.196 5.266 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.341 0.416 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.304 0.688 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.584 -0.309 6.563 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.177 2.701 6.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -16.725 1.887 6.694 1.00 0.00 H new ATOM 347 N ALA A 23 -12.463 -0.809 4.635 1.00 0.00 N ATOM 348 CA ALA A 23 -11.983 -2.005 3.954 1.00 0.00 C ATOM 349 C ALA A 23 -10.506 -2.233 4.228 1.00 0.00 C ATOM 350 O ALA A 23 -9.926 -3.214 3.768 1.00 0.00 O ATOM 351 CB ALA A 23 -12.233 -1.903 2.459 1.00 0.00 C ATOM 0 H ALA A 23 -12.251 0.066 4.155 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.537 -2.859 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.868 -2.805 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.302 -1.796 2.275 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.708 -1.035 2.061 1.00 0.00 H new ATOM 357 N PHE A 24 -9.905 -1.320 4.980 1.00 0.00 N ATOM 358 CA PHE A 24 -8.499 -1.424 5.325 1.00 0.00 C ATOM 359 C PHE A 24 -8.253 -2.671 6.162 1.00 0.00 C ATOM 360 O PHE A 24 -7.368 -3.471 5.862 1.00 0.00 O ATOM 361 CB PHE A 24 -8.058 -0.178 6.090 1.00 0.00 C ATOM 362 CG PHE A 24 -6.592 0.107 5.967 1.00 0.00 C ATOM 363 CD1 PHE A 24 -5.970 0.064 4.732 1.00 0.00 C ATOM 364 CD2 PHE A 24 -5.839 0.415 7.084 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.623 0.322 4.611 1.00 0.00 C ATOM 366 CE2 PHE A 24 -4.489 0.676 6.970 1.00 0.00 C ATOM 367 CZ PHE A 24 -3.878 0.629 5.732 1.00 0.00 C ATOM 0 H PHE A 24 -10.373 -0.498 5.362 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.915 -1.501 4.408 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.620 0.682 5.725 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.310 -0.299 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.548 -0.175 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -6.311 0.452 8.055 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.150 0.284 3.641 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.910 0.917 7.849 1.00 0.00 H new ATOM 0 HZ PHE A 24 -2.821 0.832 5.641 1.00 0.00 H new ATOM 377 N GLU A 25 -9.036 -2.821 7.223 1.00 0.00 N ATOM 378 CA GLU A 25 -8.920 -3.978 8.101 1.00 0.00 C ATOM 379 C GLU A 25 -9.248 -5.281 7.371 1.00 0.00 C ATOM 380 O GLU A 25 -8.442 -6.206 7.386 1.00 0.00 O ATOM 381 CB GLU A 25 -9.831 -3.839 9.308 1.00 0.00 C ATOM 382 CG GLU A 25 -9.154 -3.238 10.528 1.00 0.00 C ATOM 383 CD GLU A 25 -10.092 -3.121 11.713 1.00 0.00 C ATOM 384 OE1 GLU A 25 -10.237 -4.114 12.457 1.00 0.00 O ATOM 385 OE2 GLU A 25 -10.683 -2.036 11.898 1.00 0.00 O ATOM 0 H GLU A 25 -9.759 -2.155 7.496 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.882 -4.017 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.685 -3.218 9.036 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.222 -4.822 9.570 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.298 -3.854 10.805 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.767 -2.251 10.276 1.00 0.00 H new ATOM 392 N PRO A 26 -10.445 -5.395 6.739 1.00 0.00 N ATOM 393 CA PRO A 26 -10.822 -6.612 6.012 1.00 0.00 C ATOM 394 C PRO A 26 -9.724 -7.010 5.045 1.00 0.00 C ATOM 395 O PRO A 26 -9.582 -8.173 4.669 1.00 0.00 O ATOM 396 CB PRO A 26 -12.085 -6.215 5.247 1.00 0.00 C ATOM 397 CG PRO A 26 -12.648 -5.048 5.983 1.00 0.00 C ATOM 398 CD PRO A 26 -11.497 -4.361 6.668 1.00 0.00 C ATOM 0 HA PRO A 26 -10.982 -7.463 6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -11.852 -5.953 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -12.798 -7.039 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.151 -4.366 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -13.391 -5.373 6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -11.161 -3.490 6.105 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.777 -4.010 7.661 1.00 0.00 H new ATOM 406 N LEU A 27 -8.954 -6.008 4.657 1.00 0.00 N ATOM 407 CA LEU A 27 -7.837 -6.175 3.757 1.00 0.00 C ATOM 408 C LEU A 27 -6.668 -6.792 4.517 1.00 0.00 C ATOM 409 O LEU A 27 -5.974 -7.676 4.014 1.00 0.00 O ATOM 410 CB LEU A 27 -7.489 -4.799 3.194 1.00 0.00 C ATOM 411 CG LEU A 27 -6.007 -4.488 3.030 1.00 0.00 C ATOM 412 CD1 LEU A 27 -5.424 -5.271 1.866 1.00 0.00 C ATOM 413 CD2 LEU A 27 -5.808 -2.993 2.832 1.00 0.00 C ATOM 0 H LEU A 27 -9.093 -5.045 4.965 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.079 -6.845 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.969 -4.697 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.926 -4.043 3.846 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.481 -4.790 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.365 -5.036 1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.543 -6.339 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.946 -5.001 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.745 -2.780 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.343 -2.670 1.939 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.193 -2.457 3.699 1.00 0.00 H new ATOM 425 N LEU A 28 -6.465 -6.306 5.739 1.00 0.00 N ATOM 426 CA LEU A 28 -5.415 -6.812 6.614 1.00 0.00 C ATOM 427 C LEU A 28 -5.763 -8.218 7.097 1.00 0.00 C ATOM 428 O LEU A 28 -4.881 -9.021 7.404 1.00 0.00 O ATOM 429 CB LEU A 28 -5.248 -5.877 7.819 1.00 0.00 C ATOM 430 CG LEU A 28 -4.444 -6.451 8.990 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.965 -6.505 8.648 1.00 0.00 C ATOM 432 CD2 LEU A 28 -4.676 -5.632 10.251 1.00 0.00 C ATOM 0 H LEU A 28 -7.021 -5.555 6.147 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.480 -6.852 6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.763 -4.961 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.238 -5.599 8.182 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.788 -7.468 9.176 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.411 -6.915 9.492 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.817 -7.139 7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.605 -5.499 8.432 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.097 -6.055 11.071 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.363 -4.602 10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.735 -5.651 10.507 1.00 0.00 H new ATOM 444 N GLU A 29 -7.061 -8.504 7.154 1.00 0.00 N ATOM 445 CA GLU A 29 -7.548 -9.799 7.610 1.00 0.00 C ATOM 446 C GLU A 29 -7.140 -10.911 6.646 1.00 0.00 C ATOM 447 O GLU A 29 -6.750 -12.000 7.067 1.00 0.00 O ATOM 448 CB GLU A 29 -9.074 -9.765 7.753 1.00 0.00 C ATOM 449 CG GLU A 29 -9.649 -10.928 8.550 1.00 0.00 C ATOM 450 CD GLU A 29 -9.592 -12.246 7.801 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.297 -12.379 6.779 1.00 0.00 O ATOM 452 OE2 GLU A 29 -8.843 -13.145 8.237 1.00 0.00 O ATOM 0 H GLU A 29 -7.797 -7.850 6.888 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.099 -10.008 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.362 -8.831 8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.522 -9.763 6.759 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.101 -11.025 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.685 -10.708 8.808 1.00 0.00 H new ATOM 459 N SER A 30 -7.233 -10.624 5.351 1.00 0.00 N ATOM 460 CA SER A 30 -6.894 -11.598 4.315 1.00 0.00 C ATOM 461 C SER A 30 -5.431 -12.031 4.393 1.00 0.00 C ATOM 462 O SER A 30 -5.054 -13.060 3.832 1.00 0.00 O ATOM 463 CB SER A 30 -7.186 -11.014 2.932 1.00 0.00 C ATOM 464 OG SER A 30 -8.564 -10.715 2.784 1.00 0.00 O ATOM 0 H SER A 30 -7.542 -9.721 4.991 1.00 0.00 H new ATOM 0 HA SER A 30 -7.511 -12.481 4.482 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.597 -10.109 2.784 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.880 -11.723 2.163 1.00 0.00 H new ATOM 0 HG SER A 30 -8.803 -9.972 3.376 1.00 0.00 H new ATOM 470 N LEU A 31 -4.610 -11.249 5.087 1.00 0.00 N ATOM 471 CA LEU A 31 -3.191 -11.565 5.219 1.00 0.00 C ATOM 472 C LEU A 31 -2.976 -12.799 6.089 1.00 0.00 C ATOM 473 O LEU A 31 -1.877 -13.349 6.141 1.00 0.00 O ATOM 474 CB LEU A 31 -2.429 -10.375 5.806 1.00 0.00 C ATOM 475 CG LEU A 31 -2.491 -9.089 4.980 1.00 0.00 C ATOM 476 CD1 LEU A 31 -1.655 -8.002 5.632 1.00 0.00 C ATOM 477 CD2 LEU A 31 -2.020 -9.340 3.555 1.00 0.00 C ATOM 0 H LEU A 31 -4.900 -10.396 5.565 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.806 -11.779 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.822 -10.168 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.384 -10.659 5.929 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.528 -8.755 4.942 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.709 -7.093 5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.037 -7.800 6.633 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.618 -8.331 5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.073 -8.412 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.991 -9.699 3.570 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.659 -10.089 3.087 1.00 0.00 H new ATOM 489 N SER A 32 -4.033 -13.229 6.770 1.00 0.00 N ATOM 490 CA SER A 32 -3.959 -14.399 7.637 1.00 0.00 C ATOM 491 C SER A 32 -4.742 -15.564 7.043 1.00 0.00 C ATOM 492 O SER A 32 -4.813 -16.643 7.634 1.00 0.00 O ATOM 493 CB SER A 32 -4.495 -14.062 9.029 1.00 0.00 C ATOM 494 OG SER A 32 -4.439 -15.189 9.885 1.00 0.00 O ATOM 0 H SER A 32 -4.951 -12.785 6.738 1.00 0.00 H new ATOM 0 HA SER A 32 -2.913 -14.694 7.722 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.913 -13.246 9.458 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.524 -13.712 8.951 1.00 0.00 H new ATOM 0 HG SER A 32 -4.537 -16.008 9.355 1.00 0.00 H new ATOM 500 N ASN A 33 -5.328 -15.342 5.870 1.00 0.00 N ATOM 501 CA ASN A 33 -6.105 -16.374 5.196 1.00 0.00 C ATOM 502 C ASN A 33 -5.201 -17.510 4.726 1.00 0.00 C ATOM 503 O ASN A 33 -4.100 -17.273 4.228 1.00 0.00 O ATOM 504 CB ASN A 33 -6.861 -15.779 4.005 1.00 0.00 C ATOM 505 CG ASN A 33 -7.887 -16.738 3.432 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.136 -16.749 2.227 1.00 0.00 O ATOM 507 ND2 ASN A 33 -8.494 -17.545 4.295 1.00 0.00 N ATOM 0 H ASN A 33 -5.279 -14.456 5.367 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.826 -16.776 5.907 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.360 -14.862 4.317 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.149 -15.506 3.226 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.197 -18.207 3.966 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.257 -17.503 5.286 1.00 0.00 H new ATOM 514 N GLU A 34 -5.673 -18.742 4.887 1.00 0.00 N ATOM 515 CA GLU A 34 -4.906 -19.916 4.487 1.00 0.00 C ATOM 516 C GLU A 34 -4.754 -19.989 2.970 1.00 0.00 C ATOM 517 O GLU A 34 -3.819 -20.608 2.460 1.00 0.00 O ATOM 518 CB GLU A 34 -5.579 -21.188 5.005 1.00 0.00 C ATOM 519 CG GLU A 34 -5.778 -21.198 6.511 1.00 0.00 C ATOM 520 CD GLU A 34 -6.361 -22.503 7.015 1.00 0.00 C ATOM 521 OE1 GLU A 34 -7.603 -22.625 7.046 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.576 -23.404 7.379 1.00 0.00 O ATOM 0 H GLU A 34 -6.585 -18.953 5.292 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.911 -19.831 4.924 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.547 -21.301 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.976 -22.050 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.821 -21.019 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.438 -20.377 6.792 1.00 0.00 H new ATOM 529 N ASP A 35 -5.676 -19.356 2.251 1.00 0.00 N ATOM 530 CA ASP A 35 -5.638 -19.355 0.792 1.00 0.00 C ATOM 531 C ASP A 35 -4.685 -18.284 0.273 1.00 0.00 C ATOM 532 O ASP A 35 -4.635 -17.175 0.804 1.00 0.00 O ATOM 533 CB ASP A 35 -7.039 -19.130 0.222 1.00 0.00 C ATOM 534 CG ASP A 35 -8.035 -20.162 0.714 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.000 -21.305 0.213 1.00 0.00 O ATOM 536 OD2 ASP A 35 -8.849 -19.825 1.598 1.00 0.00 O ATOM 0 H ASP A 35 -6.457 -18.838 2.654 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.274 -20.329 0.463 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.385 -18.134 0.498 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.995 -19.161 -0.867 1.00 0.00 H new ATOM 541 N TRP A 36 -3.931 -18.623 -0.769 1.00 0.00 N ATOM 542 CA TRP A 36 -2.977 -17.689 -1.355 1.00 0.00 C ATOM 543 C TRP A 36 -3.637 -16.828 -2.429 1.00 0.00 C ATOM 544 O TRP A 36 -3.196 -15.710 -2.695 1.00 0.00 O ATOM 545 CB TRP A 36 -1.784 -18.446 -1.946 1.00 0.00 C ATOM 546 CG TRP A 36 -2.162 -19.410 -3.029 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.584 -20.699 -2.871 1.00 0.00 C ATOM 548 CD2 TRP A 36 -2.149 -19.163 -4.441 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.833 -21.267 -4.097 1.00 0.00 N ATOM 550 CE2 TRP A 36 -2.574 -20.345 -5.075 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.819 -18.058 -5.230 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -2.678 -20.454 -6.457 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -1.923 -18.167 -6.604 1.00 0.00 C ATOM 554 CH2 TRP A 36 -2.350 -19.358 -7.204 1.00 0.00 C ATOM 0 H TRP A 36 -3.963 -19.536 -1.223 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.622 -17.031 -0.562 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.069 -17.726 -2.345 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.278 -18.989 -1.148 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.704 -21.199 -1.921 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -3.158 -22.221 -4.253 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.489 -17.136 -4.775 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.006 -21.371 -6.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.671 -17.320 -7.225 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.422 -19.411 -8.280 1.00 0.00 H new ATOM 565 N ARG A 37 -4.693 -17.353 -3.044 1.00 0.00 N ATOM 566 CA ARG A 37 -5.408 -16.628 -4.084 1.00 0.00 C ATOM 567 C ARG A 37 -6.055 -15.365 -3.524 1.00 0.00 C ATOM 568 O ARG A 37 -6.027 -14.310 -4.159 1.00 0.00 O ATOM 569 CB ARG A 37 -6.471 -17.527 -4.722 1.00 0.00 C ATOM 570 CG ARG A 37 -7.316 -16.815 -5.761 1.00 0.00 C ATOM 571 CD ARG A 37 -8.278 -17.767 -6.453 1.00 0.00 C ATOM 572 NE ARG A 37 -9.154 -17.070 -7.392 1.00 0.00 N ATOM 573 CZ ARG A 37 -10.249 -17.609 -7.920 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.590 -18.856 -7.623 1.00 0.00 N ATOM 575 NH2 ARG A 37 -11.002 -16.901 -8.751 1.00 0.00 N ATOM 0 H ARG A 37 -5.071 -18.278 -2.839 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.688 -16.333 -4.847 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.981 -18.383 -5.187 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.122 -17.918 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.879 -16.012 -5.284 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.666 -16.352 -6.503 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.712 -18.532 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.883 -18.280 -5.705 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.912 -16.115 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.011 -19.405 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.431 -19.266 -8.030 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.741 -15.943 -8.985 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.842 -17.314 -9.156 1.00 0.00 H new ATOM 589 N ILE A 38 -6.638 -15.475 -2.333 1.00 0.00 N ATOM 590 CA ILE A 38 -7.288 -14.336 -1.693 1.00 0.00 C ATOM 591 C ILE A 38 -6.265 -13.427 -1.018 1.00 0.00 C ATOM 592 O ILE A 38 -6.364 -12.202 -1.092 1.00 0.00 O ATOM 593 CB ILE A 38 -8.333 -14.787 -0.653 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.371 -15.703 -1.309 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.005 -13.575 -0.020 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.418 -16.227 -0.348 1.00 0.00 C ATOM 0 H ILE A 38 -6.673 -16.340 -1.793 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.797 -13.781 -2.481 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.828 -15.348 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.868 -15.157 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.858 -16.548 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.741 -13.908 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.254 -12.959 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.502 -12.989 -0.793 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.117 -16.868 -0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.933 -16.801 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.959 -15.390 0.093 1.00 0.00 H new ATOM 608 N ARG A 39 -5.284 -14.035 -0.356 1.00 0.00 N ATOM 609 CA ARG A 39 -4.239 -13.279 0.327 1.00 0.00 C ATOM 610 C ARG A 39 -3.482 -12.397 -0.661 1.00 0.00 C ATOM 611 O ARG A 39 -2.900 -11.379 -0.284 1.00 0.00 O ATOM 612 CB ARG A 39 -3.269 -14.232 1.030 1.00 0.00 C ATOM 613 CG ARG A 39 -2.108 -13.531 1.718 1.00 0.00 C ATOM 614 CD ARG A 39 -1.222 -14.519 2.461 1.00 0.00 C ATOM 615 NE ARG A 39 -0.771 -15.606 1.596 1.00 0.00 N ATOM 616 CZ ARG A 39 -0.063 -16.647 2.026 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.282 -16.737 3.303 1.00 0.00 N ATOM 618 NH2 ARG A 39 0.302 -17.597 1.177 1.00 0.00 N ATOM 0 H ARG A 39 -5.191 -15.048 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.710 -12.639 1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.819 -14.814 1.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.873 -14.937 0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.515 -12.994 0.977 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.493 -12.788 2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.356 -13.996 2.867 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.770 -14.933 3.307 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.013 -15.565 0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.005 -16.007 3.959 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.825 -17.536 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.040 -17.530 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.845 -18.395 1.507 1.00 0.00 H new ATOM 632 N GLY A 40 -3.501 -12.795 -1.930 1.00 0.00 N ATOM 633 CA GLY A 40 -2.816 -12.038 -2.959 1.00 0.00 C ATOM 634 C GLY A 40 -3.433 -10.673 -3.187 1.00 0.00 C ATOM 635 O GLY A 40 -2.790 -9.651 -2.952 1.00 0.00 O ATOM 0 H GLY A 40 -3.981 -13.631 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.769 -11.917 -2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.834 -12.601 -3.892 1.00 0.00 H new ATOM 639 N ALA A 41 -4.686 -10.658 -3.641 1.00 0.00 N ATOM 640 CA ALA A 41 -5.398 -9.411 -3.908 1.00 0.00 C ATOM 641 C ALA A 41 -5.214 -8.414 -2.768 1.00 0.00 C ATOM 642 O ALA A 41 -5.085 -7.213 -3.000 1.00 0.00 O ATOM 643 CB ALA A 41 -6.876 -9.685 -4.137 1.00 0.00 C ATOM 0 H ALA A 41 -5.230 -11.500 -3.832 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.976 -8.970 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.394 -8.746 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.994 -10.352 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.301 -10.154 -3.249 1.00 0.00 H new ATOM 649 N ALA A 42 -5.202 -8.921 -1.539 1.00 0.00 N ATOM 650 CA ALA A 42 -5.018 -8.070 -0.371 1.00 0.00 C ATOM 651 C ALA A 42 -3.708 -7.299 -0.479 1.00 0.00 C ATOM 652 O ALA A 42 -3.688 -6.075 -0.390 1.00 0.00 O ATOM 653 CB ALA A 42 -5.045 -8.902 0.902 1.00 0.00 C ATOM 0 H ALA A 42 -5.317 -9.912 -1.328 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.838 -7.353 -0.330 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.906 -8.251 1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.005 -9.412 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.243 -9.640 0.871 1.00 0.00 H new ATOM 659 N ALA A 43 -2.616 -8.029 -0.683 1.00 0.00 N ATOM 660 CA ALA A 43 -1.297 -7.422 -0.819 1.00 0.00 C ATOM 661 C ALA A 43 -1.241 -6.524 -2.051 1.00 0.00 C ATOM 662 O ALA A 43 -0.517 -5.529 -2.078 1.00 0.00 O ATOM 663 CB ALA A 43 -0.239 -8.504 -0.927 1.00 0.00 C ATOM 0 H ALA A 43 -2.619 -9.046 -0.758 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.105 -6.814 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.744 -8.043 -1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.259 -9.123 -0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.441 -9.124 -1.800 1.00 0.00 H new ATOM 669 N TRP A 44 -2.016 -6.890 -3.068 1.00 0.00 N ATOM 670 CA TRP A 44 -2.057 -6.145 -4.321 1.00 0.00 C ATOM 671 C TRP A 44 -2.702 -4.769 -4.146 1.00 0.00 C ATOM 672 O TRP A 44 -2.306 -3.804 -4.800 1.00 0.00 O ATOM 673 CB TRP A 44 -2.815 -6.949 -5.383 1.00 0.00 C ATOM 674 CG TRP A 44 -1.948 -7.949 -6.085 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.296 -9.003 -5.520 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.634 -7.987 -7.484 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.587 -9.688 -6.475 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.778 -9.085 -7.688 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.990 -7.199 -8.582 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.272 -9.416 -8.942 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.489 -7.527 -9.829 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.637 -8.627 -9.999 1.00 0.00 C ATOM 0 H TRP A 44 -2.629 -7.705 -3.047 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.029 -5.988 -4.646 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.650 -7.467 -4.912 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.238 -6.263 -6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.332 -9.262 -4.472 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.011 -10.513 -6.307 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.645 -6.349 -8.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.384 -10.264 -9.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.759 -6.926 -10.685 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.261 -8.857 -10.985 1.00 0.00 H new ATOM 693 N ILE A 45 -3.693 -4.683 -3.262 1.00 0.00 N ATOM 694 CA ILE A 45 -4.400 -3.427 -3.024 1.00 0.00 C ATOM 695 C ILE A 45 -3.886 -2.716 -1.774 1.00 0.00 C ATOM 696 O ILE A 45 -4.085 -1.513 -1.606 1.00 0.00 O ATOM 697 CB ILE A 45 -5.918 -3.666 -2.881 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.435 -4.499 -4.056 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.660 -2.338 -2.796 1.00 0.00 C ATOM 700 CD1 ILE A 45 -7.900 -4.864 -3.946 1.00 0.00 C ATOM 0 H ILE A 45 -4.024 -5.467 -2.699 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.211 -2.792 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.100 -4.218 -1.959 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.277 -3.944 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.846 -5.414 -4.128 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.729 -2.524 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.306 -1.778 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.476 -1.760 -3.702 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.194 -5.454 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.063 -5.447 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.499 -3.955 -3.905 1.00 0.00 H new ATOM 712 N ILE A 46 -3.219 -3.466 -0.905 1.00 0.00 N ATOM 713 CA ILE A 46 -2.704 -2.916 0.342 1.00 0.00 C ATOM 714 C ILE A 46 -1.741 -1.751 0.109 1.00 0.00 C ATOM 715 O ILE A 46 -1.713 -0.798 0.889 1.00 0.00 O ATOM 716 CB ILE A 46 -2.019 -4.010 1.195 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.182 -3.690 2.678 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.546 -4.153 0.836 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.062 -4.901 3.576 1.00 0.00 C ATOM 0 H ILE A 46 -3.022 -4.457 -1.042 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.564 -2.530 0.889 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.503 -4.963 0.981 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.429 -2.957 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.156 -3.226 2.836 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.095 -4.930 1.453 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.452 -4.425 -0.215 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.035 -3.207 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.189 -4.597 4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.832 -5.626 3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.079 -5.353 3.447 1.00 0.00 H new ATOM 731 N GLY A 47 -0.961 -1.820 -0.967 1.00 0.00 N ATOM 732 CA GLY A 47 -0.011 -0.761 -1.261 1.00 0.00 C ATOM 733 C GLY A 47 -0.667 0.493 -1.814 1.00 0.00 C ATOM 734 O GLY A 47 -0.060 1.563 -1.821 1.00 0.00 O ATOM 0 H GLY A 47 -0.970 -2.588 -1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.534 -0.508 -0.352 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.721 -1.128 -1.980 1.00 0.00 H new ATOM 738 N ASN A 48 -1.904 0.360 -2.282 1.00 0.00 N ATOM 739 CA ASN A 48 -2.637 1.491 -2.849 1.00 0.00 C ATOM 740 C ASN A 48 -3.042 2.502 -1.779 1.00 0.00 C ATOM 741 O ASN A 48 -3.552 3.578 -2.095 1.00 0.00 O ATOM 742 CB ASN A 48 -3.884 0.997 -3.585 1.00 0.00 C ATOM 743 CG ASN A 48 -3.566 -0.037 -4.648 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.395 -0.889 -4.966 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.362 0.032 -5.205 1.00 0.00 N ATOM 0 H ASN A 48 -2.422 -0.519 -2.281 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.969 1.992 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.580 0.568 -2.864 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.387 1.846 -4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.095 -0.638 -5.926 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.705 0.755 -4.911 1.00 0.00 H new ATOM 752 N PHE A 49 -2.817 2.157 -0.515 1.00 0.00 N ATOM 753 CA PHE A 49 -3.178 3.040 0.592 1.00 0.00 C ATOM 754 C PHE A 49 -1.973 3.825 1.105 1.00 0.00 C ATOM 755 O PHE A 49 -2.129 4.878 1.724 1.00 0.00 O ATOM 756 CB PHE A 49 -3.800 2.230 1.731 1.00 0.00 C ATOM 757 CG PHE A 49 -5.201 1.768 1.443 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.436 0.729 0.556 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.284 2.374 2.061 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.725 0.305 0.290 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.574 1.954 1.799 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.794 0.918 0.912 1.00 0.00 C ATOM 0 H PHE A 49 -2.388 1.276 -0.231 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.908 3.758 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.174 1.361 1.932 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.805 2.836 2.637 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.603 0.245 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.117 3.184 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.895 -0.505 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.409 2.435 2.287 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.801 0.588 0.705 1.00 0.00 H new ATOM 772 N GLN A 50 -0.776 3.308 0.844 1.00 0.00 N ATOM 773 CA GLN A 50 0.455 3.964 1.279 1.00 0.00 C ATOM 774 C GLN A 50 0.458 4.198 2.786 1.00 0.00 C ATOM 775 O GLN A 50 0.652 5.322 3.252 1.00 0.00 O ATOM 776 CB GLN A 50 0.649 5.288 0.540 1.00 0.00 C ATOM 777 CG GLN A 50 1.056 5.107 -0.908 1.00 0.00 C ATOM 778 CD GLN A 50 -0.119 4.812 -1.824 1.00 0.00 C ATOM 779 OE1 GLN A 50 0.016 4.091 -2.812 1.00 0.00 O ATOM 780 NE2 GLN A 50 -1.278 5.378 -1.504 1.00 0.00 N ATOM 0 H GLN A 50 -0.631 2.437 0.334 1.00 0.00 H new ATOM 0 HA GLN A 50 1.285 3.300 1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.278 5.860 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.409 5.876 1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.561 6.010 -1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.777 4.292 -0.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.345 5.969 -0.675 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.100 5.221 -2.087 1.00 0.00 H new ATOM 789 N ASP A 51 0.246 3.128 3.540 1.00 0.00 N ATOM 790 CA ASP A 51 0.227 3.208 4.998 1.00 0.00 C ATOM 791 C ASP A 51 1.178 2.182 5.610 1.00 0.00 C ATOM 792 O ASP A 51 1.651 1.274 4.924 1.00 0.00 O ATOM 793 CB ASP A 51 -1.191 2.988 5.528 1.00 0.00 C ATOM 794 CG ASP A 51 -1.326 3.362 6.992 1.00 0.00 C ATOM 795 OD1 ASP A 51 -1.548 4.557 7.281 1.00 0.00 O ATOM 796 OD2 ASP A 51 -1.212 2.461 7.849 1.00 0.00 O ATOM 0 H ASP A 51 0.084 2.192 3.168 1.00 0.00 H new ATOM 0 HA ASP A 51 0.560 4.205 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.892 3.579 4.939 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.467 1.942 5.396 1.00 0.00 H new ATOM 801 N GLU A 52 1.454 2.332 6.903 1.00 0.00 N ATOM 802 CA GLU A 52 2.348 1.417 7.609 1.00 0.00 C ATOM 803 C GLU A 52 1.771 0.004 7.636 1.00 0.00 C ATOM 804 O GLU A 52 2.510 -0.980 7.677 1.00 0.00 O ATOM 805 CB GLU A 52 2.594 1.910 9.036 1.00 0.00 C ATOM 806 CG GLU A 52 1.338 1.947 9.894 1.00 0.00 C ATOM 807 CD GLU A 52 1.608 2.439 11.303 1.00 0.00 C ATOM 808 OE1 GLU A 52 1.529 3.665 11.529 1.00 0.00 O ATOM 809 OE2 GLU A 52 1.899 1.599 12.180 1.00 0.00 O ATOM 0 H GLU A 52 1.072 3.078 7.484 1.00 0.00 H new ATOM 0 HA GLU A 52 3.297 1.391 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.330 1.263 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.026 2.910 8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.599 2.595 9.422 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.904 0.948 9.939 1.00 0.00 H new ATOM 816 N ARG A 53 0.445 -0.083 7.613 1.00 0.00 N ATOM 817 CA ARG A 53 -0.247 -1.368 7.635 1.00 0.00 C ATOM 818 C ARG A 53 0.023 -2.156 6.355 1.00 0.00 C ATOM 819 O ARG A 53 -0.282 -3.347 6.268 1.00 0.00 O ATOM 820 CB ARG A 53 -1.752 -1.136 7.806 1.00 0.00 C ATOM 821 CG ARG A 53 -2.587 -2.406 7.853 1.00 0.00 C ATOM 822 CD ARG A 53 -3.375 -2.503 9.147 1.00 0.00 C ATOM 823 NE ARG A 53 -4.047 -1.249 9.477 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.958 -0.654 10.662 1.00 0.00 C ATOM 825 NH1 ARG A 53 -3.242 -1.205 11.633 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.590 0.492 10.878 1.00 0.00 N ATOM 0 H ARG A 53 -0.175 0.726 7.579 1.00 0.00 H new ATOM 0 HA ARG A 53 0.128 -1.952 8.475 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.918 -0.574 8.725 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.106 -0.514 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.272 -2.424 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.936 -3.275 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.115 -3.299 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.703 -2.779 9.960 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.617 -0.805 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.758 -2.088 11.471 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.176 -0.746 12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.144 0.917 10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.522 0.949 11.788 1.00 0.00 H new ATOM 840 N ALA A 54 0.606 -1.487 5.365 1.00 0.00 N ATOM 841 CA ALA A 54 0.911 -2.120 4.088 1.00 0.00 C ATOM 842 C ALA A 54 2.399 -2.409 3.968 1.00 0.00 C ATOM 843 O ALA A 54 2.830 -3.157 3.092 1.00 0.00 O ATOM 844 CB ALA A 54 0.454 -1.237 2.937 1.00 0.00 C ATOM 0 H ALA A 54 0.877 -0.505 5.424 1.00 0.00 H new ATOM 0 HA ALA A 54 0.373 -3.067 4.042 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.689 -1.723 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.622 -1.077 3.006 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.967 -0.277 2.989 1.00 0.00 H new ATOM 850 N VAL A 55 3.176 -1.811 4.860 1.00 0.00 N ATOM 851 CA VAL A 55 4.621 -1.981 4.861 1.00 0.00 C ATOM 852 C VAL A 55 5.033 -3.398 5.262 1.00 0.00 C ATOM 853 O VAL A 55 5.813 -4.043 4.561 1.00 0.00 O ATOM 854 CB VAL A 55 5.290 -0.970 5.810 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.789 -1.194 5.858 1.00 0.00 C ATOM 856 CG2 VAL A 55 4.975 0.455 5.382 1.00 0.00 C ATOM 0 H VAL A 55 2.826 -1.199 5.597 1.00 0.00 H new ATOM 0 HA VAL A 55 4.957 -1.803 3.840 1.00 0.00 H new ATOM 0 HB VAL A 55 4.889 -1.123 6.812 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.244 -0.470 6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.995 -2.203 6.215 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.208 -1.071 4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.457 1.155 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.346 0.622 4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.896 0.611 5.403 1.00 0.00 H new ATOM 866 N GLU A 56 4.509 -3.878 6.388 1.00 0.00 N ATOM 867 CA GLU A 56 4.846 -5.216 6.875 1.00 0.00 C ATOM 868 C GLU A 56 4.471 -6.310 5.868 1.00 0.00 C ATOM 869 O GLU A 56 5.293 -7.175 5.572 1.00 0.00 O ATOM 870 CB GLU A 56 4.171 -5.494 8.220 1.00 0.00 C ATOM 871 CG GLU A 56 4.643 -6.785 8.870 1.00 0.00 C ATOM 872 CD GLU A 56 3.690 -7.284 9.939 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.662 -7.897 9.578 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.970 -7.063 11.135 1.00 0.00 O ATOM 0 H GLU A 56 3.854 -3.365 6.978 1.00 0.00 H new ATOM 0 HA GLU A 56 5.928 -5.239 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.366 -4.662 8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.092 -5.541 8.075 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.757 -7.552 8.104 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.627 -6.626 9.311 1.00 0.00 H new ATOM 881 N PRO A 57 3.226 -6.305 5.339 1.00 0.00 N ATOM 882 CA PRO A 57 2.782 -7.309 4.367 1.00 0.00 C ATOM 883 C PRO A 57 3.845 -7.639 3.329 1.00 0.00 C ATOM 884 O PRO A 57 4.180 -8.803 3.123 1.00 0.00 O ATOM 885 CB PRO A 57 1.590 -6.635 3.702 1.00 0.00 C ATOM 886 CG PRO A 57 1.005 -5.776 4.769 1.00 0.00 C ATOM 887 CD PRO A 57 2.153 -5.335 5.642 1.00 0.00 C ATOM 0 HA PRO A 57 2.554 -8.262 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.898 -6.043 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.868 -7.369 3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.493 -4.916 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.266 -6.328 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.460 -4.315 5.412 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.883 -5.356 6.698 1.00 0.00 H new ATOM 895 N LEU A 58 4.377 -6.606 2.690 1.00 0.00 N ATOM 896 CA LEU A 58 5.395 -6.786 1.663 1.00 0.00 C ATOM 897 C LEU A 58 6.634 -7.480 2.223 1.00 0.00 C ATOM 898 O LEU A 58 7.254 -8.297 1.547 1.00 0.00 O ATOM 899 CB LEU A 58 5.779 -5.434 1.055 1.00 0.00 C ATOM 900 CG LEU A 58 4.628 -4.433 0.920 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.107 -3.149 0.261 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.476 -5.041 0.134 1.00 0.00 C ATOM 0 H LEU A 58 4.121 -5.634 2.864 1.00 0.00 H new ATOM 0 HA LEU A 58 4.975 -7.423 0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.560 -4.986 1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.209 -5.606 0.068 1.00 0.00 H new ATOM 0 HG LEU A 58 4.269 -4.191 1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.274 -2.452 0.175 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.894 -2.701 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.497 -3.373 -0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.669 -4.313 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.821 -5.317 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.112 -5.929 0.651 1.00 0.00 H new ATOM 914 N ILE A 59 6.984 -7.157 3.462 1.00 0.00 N ATOM 915 CA ILE A 59 8.156 -7.747 4.103 1.00 0.00 C ATOM 916 C ILE A 59 8.102 -9.277 4.093 1.00 0.00 C ATOM 917 O ILE A 59 8.985 -9.930 3.537 1.00 0.00 O ATOM 918 CB ILE A 59 8.309 -7.249 5.557 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.477 -5.723 5.588 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.488 -7.931 6.238 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.724 -5.228 4.883 1.00 0.00 C ATOM 0 H ILE A 59 6.475 -6.491 4.043 1.00 0.00 H new ATOM 0 HA ILE A 59 9.021 -7.427 3.522 1.00 0.00 H new ATOM 0 HB ILE A 59 7.403 -7.507 6.105 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.604 -5.262 5.127 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.502 -5.391 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.578 -7.566 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.327 -9.009 6.250 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.404 -7.707 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.772 -4.141 4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.606 -5.659 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.693 -5.528 3.835 1.00 0.00 H new ATOM 933 N LYS A 60 7.067 -9.843 4.709 1.00 0.00 N ATOM 934 CA LYS A 60 6.915 -11.298 4.776 1.00 0.00 C ATOM 935 C LYS A 60 6.560 -11.903 3.417 1.00 0.00 C ATOM 936 O LYS A 60 7.058 -12.967 3.048 1.00 0.00 O ATOM 937 CB LYS A 60 5.844 -11.678 5.802 1.00 0.00 C ATOM 938 CG LYS A 60 4.526 -10.947 5.606 1.00 0.00 C ATOM 939 CD LYS A 60 3.345 -11.793 6.057 1.00 0.00 C ATOM 940 CE LYS A 60 3.310 -11.956 7.569 1.00 0.00 C ATOM 941 NZ LYS A 60 3.094 -10.657 8.263 1.00 0.00 N ATOM 0 H LYS A 60 6.322 -9.320 5.168 1.00 0.00 H new ATOM 0 HA LYS A 60 7.878 -11.705 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.666 -12.752 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.221 -11.468 6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.540 -10.013 6.167 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.407 -10.686 4.555 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.417 -11.331 5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.401 -12.775 5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.514 -12.649 7.841 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.247 -12.397 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.792 -10.833 9.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.981 -10.114 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.358 -10.116 7.766 1.00 0.00 H new ATOM 955 N LEU A 61 5.694 -11.215 2.685 1.00 0.00 N ATOM 956 CA LEU A 61 5.229 -11.676 1.379 1.00 0.00 C ATOM 957 C LEU A 61 6.364 -11.898 0.388 1.00 0.00 C ATOM 958 O LEU A 61 6.452 -12.956 -0.233 1.00 0.00 O ATOM 959 CB LEU A 61 4.234 -10.670 0.809 1.00 0.00 C ATOM 960 CG LEU A 61 2.764 -10.925 1.153 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.612 -11.553 2.534 1.00 0.00 C ATOM 962 CD2 LEU A 61 1.978 -9.630 1.082 1.00 0.00 C ATOM 0 H LEU A 61 5.294 -10.323 2.977 1.00 0.00 H new ATOM 0 HA LEU A 61 4.749 -12.643 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.505 -9.676 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.338 -10.658 -0.276 1.00 0.00 H new ATOM 0 HG LEU A 61 2.369 -11.628 0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.555 -11.719 2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.142 -12.505 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.030 -10.884 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.934 -9.824 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.392 -8.914 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.043 -9.220 0.074 1.00 0.00 H new ATOM 974 N LEU A 62 7.219 -10.897 0.229 1.00 0.00 N ATOM 975 CA LEU A 62 8.341 -10.989 -0.697 1.00 0.00 C ATOM 976 C LEU A 62 9.220 -12.199 -0.392 1.00 0.00 C ATOM 977 O LEU A 62 10.102 -12.549 -1.176 1.00 0.00 O ATOM 978 CB LEU A 62 9.162 -9.703 -0.648 1.00 0.00 C ATOM 979 CG LEU A 62 8.422 -8.460 -1.143 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.093 -7.196 -0.632 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.357 -8.453 -2.664 1.00 0.00 C ATOM 0 H LEU A 62 7.157 -10.010 0.730 1.00 0.00 H new ATOM 0 HA LEU A 62 7.942 -11.120 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.486 -9.533 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.062 -9.838 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 62 7.405 -8.487 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.550 -6.323 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.089 -7.197 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.122 -7.159 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.827 -7.562 -3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.368 -8.450 -3.071 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.829 -9.342 -3.010 1.00 0.00 H new ATOM 993 N GLU A 63 8.976 -12.835 0.750 1.00 0.00 N ATOM 994 CA GLU A 63 9.738 -14.008 1.149 1.00 0.00 C ATOM 995 C GLU A 63 8.900 -15.278 1.011 1.00 0.00 C ATOM 996 O GLU A 63 9.438 -16.382 0.937 1.00 0.00 O ATOM 997 CB GLU A 63 10.217 -13.857 2.593 1.00 0.00 C ATOM 998 CG GLU A 63 11.700 -14.132 2.771 1.00 0.00 C ATOM 999 CD GLU A 63 12.077 -15.553 2.402 1.00 0.00 C ATOM 1000 OE1 GLU A 63 11.801 -16.468 3.205 1.00 0.00 O ATOM 1001 OE2 GLU A 63 12.647 -15.751 1.308 1.00 0.00 O ATOM 0 H GLU A 63 8.255 -12.555 1.415 1.00 0.00 H new ATOM 0 HA GLU A 63 10.602 -14.092 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.999 -12.845 2.936 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.650 -14.538 3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.271 -13.437 2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.979 -13.943 3.808 1.00 0.00 H new ATOM 1008 N ASP A 64 7.579 -15.111 0.980 1.00 0.00 N ATOM 1009 CA ASP A 64 6.666 -16.244 0.861 1.00 0.00 C ATOM 1010 C ASP A 64 6.887 -17.011 -0.433 1.00 0.00 C ATOM 1011 O ASP A 64 6.843 -18.241 -0.457 1.00 0.00 O ATOM 1012 CB ASP A 64 5.213 -15.776 0.957 1.00 0.00 C ATOM 1013 CG ASP A 64 4.779 -15.538 2.390 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.502 -16.529 3.098 1.00 0.00 O ATOM 1015 OD2 ASP A 64 4.716 -14.362 2.806 1.00 0.00 O ATOM 0 H ASP A 64 7.118 -14.203 1.036 1.00 0.00 H new ATOM 0 HA ASP A 64 6.876 -16.921 1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.091 -14.856 0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.562 -16.523 0.502 1.00 0.00 H new ATOM 1020 N ASP A 65 7.120 -16.269 -1.499 1.00 0.00 N ATOM 1021 CA ASP A 65 7.350 -16.853 -2.817 1.00 0.00 C ATOM 1022 C ASP A 65 6.119 -17.624 -3.276 1.00 0.00 C ATOM 1023 O ASP A 65 6.213 -18.566 -4.063 1.00 0.00 O ATOM 1024 CB ASP A 65 8.576 -17.773 -2.790 1.00 0.00 C ATOM 1025 CG ASP A 65 8.994 -18.225 -4.176 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.474 -17.376 -4.957 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.843 -19.426 -4.479 1.00 0.00 O ATOM 0 H ASP A 65 7.156 -15.250 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 65 7.540 -16.046 -3.525 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.407 -17.251 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.357 -18.647 -2.177 1.00 0.00 H new ATOM 1032 N SER A 66 4.957 -17.206 -2.781 1.00 0.00 N ATOM 1033 CA SER A 66 3.698 -17.852 -3.130 1.00 0.00 C ATOM 1034 C SER A 66 3.135 -17.308 -4.442 1.00 0.00 C ATOM 1035 O SER A 66 1.956 -17.493 -4.743 1.00 0.00 O ATOM 1036 CB SER A 66 2.688 -17.659 -2.001 1.00 0.00 C ATOM 1037 OG SER A 66 2.900 -18.594 -0.958 1.00 0.00 O ATOM 0 H SER A 66 4.863 -16.421 -2.136 1.00 0.00 H new ATOM 0 HA SER A 66 3.889 -18.916 -3.268 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.769 -16.646 -1.607 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.676 -17.769 -2.392 1.00 0.00 H new ATOM 0 HG SER A 66 2.241 -18.447 -0.248 1.00 0.00 H new ATOM 1043 N GLY A 67 3.984 -16.642 -5.219 1.00 0.00 N ATOM 1044 CA GLY A 67 3.552 -16.090 -6.492 1.00 0.00 C ATOM 1045 C GLY A 67 2.639 -14.888 -6.331 1.00 0.00 C ATOM 1046 O GLY A 67 3.107 -13.767 -6.161 1.00 0.00 O ATOM 0 H GLY A 67 4.964 -16.474 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.427 -15.801 -7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.033 -16.862 -7.060 1.00 0.00 H new ATOM 1050 N PHE A 68 1.334 -15.125 -6.395 1.00 0.00 N ATOM 1051 CA PHE A 68 0.349 -14.055 -6.254 1.00 0.00 C ATOM 1052 C PHE A 68 0.611 -13.247 -4.985 1.00 0.00 C ATOM 1053 O PHE A 68 0.565 -12.017 -4.995 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.059 -14.656 -6.199 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.157 -13.761 -6.719 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.052 -12.373 -6.680 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.308 -14.323 -7.247 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.076 -11.576 -7.159 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.332 -13.529 -7.724 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.215 -12.155 -7.680 1.00 0.00 C ATOM 0 H PHE A 68 0.931 -16.050 -6.544 1.00 0.00 H new ATOM 0 HA PHE A 68 0.431 -13.390 -7.114 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.064 -15.583 -6.773 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.285 -14.919 -5.166 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.163 -11.915 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.406 -15.398 -7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.984 -10.500 -7.125 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.223 -13.983 -8.131 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.015 -11.533 -8.053 1.00 0.00 H new ATOM 1070 N VAL A 69 0.894 -13.955 -3.900 1.00 0.00 N ATOM 1071 CA VAL A 69 1.150 -13.326 -2.611 1.00 0.00 C ATOM 1072 C VAL A 69 2.517 -12.640 -2.568 1.00 0.00 C ATOM 1073 O VAL A 69 2.656 -11.558 -1.995 1.00 0.00 O ATOM 1074 CB VAL A 69 1.065 -14.365 -1.476 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.140 -13.694 -0.117 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.208 -15.188 -1.603 1.00 0.00 C ATOM 0 H VAL A 69 0.952 -14.973 -3.887 1.00 0.00 H new ATOM 0 HA VAL A 69 0.383 -12.564 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 69 1.919 -15.036 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.078 -14.450 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.084 -13.157 -0.028 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.312 -12.993 -0.011 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.252 -15.917 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.074 -14.529 -1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.211 -15.709 -2.561 1.00 0.00 H new ATOM 1086 N ARG A 70 3.523 -13.268 -3.173 1.00 0.00 N ATOM 1087 CA ARG A 70 4.875 -12.711 -3.187 1.00 0.00 C ATOM 1088 C ARG A 70 5.007 -11.590 -4.219 1.00 0.00 C ATOM 1089 O ARG A 70 5.263 -10.438 -3.866 1.00 0.00 O ATOM 1090 CB ARG A 70 5.894 -13.816 -3.477 1.00 0.00 C ATOM 1091 CG ARG A 70 7.321 -13.448 -3.104 1.00 0.00 C ATOM 1092 CD ARG A 70 8.074 -12.857 -4.282 1.00 0.00 C ATOM 1093 NE ARG A 70 8.078 -13.755 -5.434 1.00 0.00 N ATOM 1094 CZ ARG A 70 9.170 -14.358 -5.897 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.343 -14.161 -5.310 1.00 0.00 N ATOM 1096 NH2 ARG A 70 9.088 -15.162 -6.949 1.00 0.00 N ATOM 0 H ARG A 70 3.429 -14.160 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 70 5.074 -12.285 -2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.606 -14.715 -2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.858 -14.062 -4.538 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.309 -12.731 -2.283 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.844 -14.335 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.619 -11.908 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.101 -12.643 -3.986 1.00 0.00 H new ATOM 0 HE ARG A 70 7.193 -13.930 -5.911 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.411 -13.545 -4.500 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.177 -14.626 -5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 70 8.188 -15.318 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.925 -15.624 -7.304 1.00 0.00 H new ATOM 1110 N SER A 71 4.836 -11.938 -5.492 1.00 0.00 N ATOM 1111 CA SER A 71 4.929 -10.965 -6.580 1.00 0.00 C ATOM 1112 C SER A 71 4.044 -9.753 -6.316 1.00 0.00 C ATOM 1113 O SER A 71 4.370 -8.635 -6.717 1.00 0.00 O ATOM 1114 CB SER A 71 4.535 -11.615 -7.907 1.00 0.00 C ATOM 1115 OG SER A 71 5.379 -12.714 -8.205 1.00 0.00 O ATOM 0 H SER A 71 4.632 -12.890 -5.797 1.00 0.00 H new ATOM 0 HA SER A 71 5.964 -10.627 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.499 -11.950 -7.858 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.594 -10.879 -8.708 1.00 0.00 H new ATOM 0 HG SER A 71 5.106 -13.114 -9.057 1.00 0.00 H new ATOM 1121 N GLY A 72 2.924 -9.981 -5.640 1.00 0.00 N ATOM 1122 CA GLY A 72 2.013 -8.897 -5.332 1.00 0.00 C ATOM 1123 C GLY A 72 2.637 -7.858 -4.427 1.00 0.00 C ATOM 1124 O GLY A 72 2.402 -6.661 -4.588 1.00 0.00 O ATOM 0 H GLY A 72 2.631 -10.897 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.692 -8.422 -6.259 1.00 0.00 H new ATOM 0 HA3 GLY A 72 1.120 -9.301 -4.855 1.00 0.00 H new ATOM 1128 N ALA A 73 3.429 -8.319 -3.471 1.00 0.00 N ATOM 1129 CA ALA A 73 4.093 -7.425 -2.537 1.00 0.00 C ATOM 1130 C ALA A 73 5.081 -6.518 -3.257 1.00 0.00 C ATOM 1131 O ALA A 73 5.219 -5.346 -2.917 1.00 0.00 O ATOM 1132 CB ALA A 73 4.806 -8.228 -1.465 1.00 0.00 C ATOM 0 H ALA A 73 3.627 -9.308 -3.322 1.00 0.00 H new ATOM 0 HA ALA A 73 3.335 -6.797 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.300 -7.549 -0.770 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.081 -8.837 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.549 -8.876 -1.930 1.00 0.00 H new ATOM 1138 N ALA A 74 5.757 -7.067 -4.261 1.00 0.00 N ATOM 1139 CA ALA A 74 6.747 -6.316 -5.024 1.00 0.00 C ATOM 1140 C ALA A 74 6.141 -5.072 -5.667 1.00 0.00 C ATOM 1141 O ALA A 74 6.603 -3.954 -5.433 1.00 0.00 O ATOM 1142 CB ALA A 74 7.370 -7.205 -6.088 1.00 0.00 C ATOM 0 H ALA A 74 5.636 -8.033 -4.566 1.00 0.00 H new ATOM 0 HA ALA A 74 7.520 -5.986 -4.330 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.108 -6.635 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.856 -8.056 -5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.593 -7.562 -6.764 1.00 0.00 H new ATOM 1148 N ARG A 75 5.107 -5.272 -6.476 1.00 0.00 N ATOM 1149 CA ARG A 75 4.445 -4.170 -7.166 1.00 0.00 C ATOM 1150 C ARG A 75 3.900 -3.136 -6.182 1.00 0.00 C ATOM 1151 O ARG A 75 3.764 -1.961 -6.521 1.00 0.00 O ATOM 1152 CB ARG A 75 3.310 -4.700 -8.044 1.00 0.00 C ATOM 1153 CG ARG A 75 2.157 -5.298 -7.256 1.00 0.00 C ATOM 1154 CD ARG A 75 1.054 -5.799 -8.174 1.00 0.00 C ATOM 1155 NE ARG A 75 0.858 -4.916 -9.322 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.099 -5.274 -10.580 1.00 0.00 C ATOM 1157 NH1 ARG A 75 1.531 -6.499 -10.854 1.00 0.00 N ATOM 1158 NH2 ARG A 75 0.907 -4.408 -11.566 1.00 0.00 N ATOM 0 H ARG A 75 4.708 -6.190 -6.671 1.00 0.00 H new ATOM 0 HA ARG A 75 5.190 -3.679 -7.793 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.932 -3.887 -8.664 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.708 -5.457 -8.720 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.523 -6.121 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.753 -4.549 -6.576 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.301 -6.801 -8.525 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.123 -5.878 -7.613 1.00 0.00 H new ATOM 0 HE ARG A 75 0.517 -3.971 -9.148 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.679 -7.168 -10.099 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.715 -6.771 -11.820 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.574 -3.466 -11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.092 -4.684 -12.530 1.00 0.00 H new ATOM 1172 N SER A 76 3.588 -3.577 -4.967 1.00 0.00 N ATOM 1173 CA SER A 76 3.051 -2.682 -3.946 1.00 0.00 C ATOM 1174 C SER A 76 4.007 -1.529 -3.656 1.00 0.00 C ATOM 1175 O SER A 76 3.577 -0.392 -3.468 1.00 0.00 O ATOM 1176 CB SER A 76 2.761 -3.454 -2.660 1.00 0.00 C ATOM 1177 OG SER A 76 1.875 -4.533 -2.903 1.00 0.00 O ATOM 0 H SER A 76 3.697 -4.545 -4.666 1.00 0.00 H new ATOM 0 HA SER A 76 2.121 -2.263 -4.330 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.693 -3.832 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.327 -2.783 -1.919 1.00 0.00 H new ATOM 0 HG SER A 76 2.322 -5.205 -3.459 1.00 0.00 H new ATOM 1183 N LEU A 77 5.305 -1.823 -3.618 1.00 0.00 N ATOM 1184 CA LEU A 77 6.307 -0.795 -3.352 1.00 0.00 C ATOM 1185 C LEU A 77 6.243 0.304 -4.408 1.00 0.00 C ATOM 1186 O LEU A 77 6.045 1.475 -4.086 1.00 0.00 O ATOM 1187 CB LEU A 77 7.713 -1.400 -3.306 1.00 0.00 C ATOM 1188 CG LEU A 77 8.006 -2.263 -2.078 1.00 0.00 C ATOM 1189 CD1 LEU A 77 7.530 -3.687 -2.300 1.00 0.00 C ATOM 1190 CD2 LEU A 77 9.490 -2.240 -1.747 1.00 0.00 C ATOM 0 H LEU A 77 5.685 -2.758 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 77 6.088 -0.358 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.861 -2.005 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.442 -0.590 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 77 7.461 -1.847 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.747 -4.285 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.455 -3.687 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.045 -4.113 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.677 -2.860 -0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.058 -2.627 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.801 -1.216 -1.540 1.00 0.00 H new ATOM 1202 N GLU A 78 6.421 -0.087 -5.666 1.00 0.00 N ATOM 1203 CA GLU A 78 6.372 0.854 -6.783 1.00 0.00 C ATOM 1204 C GLU A 78 5.132 1.741 -6.708 1.00 0.00 C ATOM 1205 O GLU A 78 5.154 2.894 -7.140 1.00 0.00 O ATOM 1206 CB GLU A 78 6.389 0.094 -8.109 1.00 0.00 C ATOM 1207 CG GLU A 78 7.663 -0.699 -8.337 1.00 0.00 C ATOM 1208 CD GLU A 78 7.696 -1.373 -9.694 1.00 0.00 C ATOM 1209 OE1 GLU A 78 6.822 -2.226 -9.956 1.00 0.00 O ATOM 1210 OE2 GLU A 78 8.594 -1.045 -10.499 1.00 0.00 O ATOM 0 H GLU A 78 6.601 -1.053 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 78 7.251 1.495 -6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.537 -0.585 -8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.261 0.803 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.522 -0.034 -8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.760 -1.455 -7.558 1.00 0.00 H new ATOM 1217 N GLN A 79 4.053 1.196 -6.156 1.00 0.00 N ATOM 1218 CA GLN A 79 2.802 1.936 -6.022 1.00 0.00 C ATOM 1219 C GLN A 79 2.937 3.065 -5.006 1.00 0.00 C ATOM 1220 O GLN A 79 2.447 4.173 -5.226 1.00 0.00 O ATOM 1221 CB GLN A 79 1.675 0.993 -5.604 1.00 0.00 C ATOM 1222 CG GLN A 79 1.337 -0.049 -6.655 1.00 0.00 C ATOM 1223 CD GLN A 79 0.746 -1.312 -6.060 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.902 -2.402 -6.609 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.065 -1.174 -4.926 1.00 0.00 N ATOM 0 H GLN A 79 4.019 0.243 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 79 2.564 2.375 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.958 0.488 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 79 0.783 1.580 -5.385 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.631 0.376 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.239 -0.303 -7.212 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.041 -0.252 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.351 -1.991 -4.479 1.00 0.00 H new ATOM 1234 N ILE A 80 3.604 2.777 -3.893 1.00 0.00 N ATOM 1235 CA ILE A 80 3.800 3.769 -2.844 1.00 0.00 C ATOM 1236 C ILE A 80 4.847 4.798 -3.256 1.00 0.00 C ATOM 1237 O ILE A 80 4.550 5.988 -3.360 1.00 0.00 O ATOM 1238 CB ILE A 80 4.231 3.104 -1.520 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.216 2.028 -1.118 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.382 4.150 -0.422 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.504 1.380 0.221 1.00 0.00 C ATOM 0 H ILE A 80 4.017 1.866 -3.695 1.00 0.00 H new ATOM 0 HA ILE A 80 2.845 4.271 -2.692 1.00 0.00 H new ATOM 0 HB ILE A 80 5.200 2.626 -1.663 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.222 2.474 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.196 1.256 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.686 3.663 0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.138 4.878 -0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.429 4.657 -0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.742 0.630 0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.484 0.903 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.494 2.140 1.003 1.00 0.00 H new ATOM 1253 N GLY A 81 6.067 4.328 -3.502 1.00 0.00 N ATOM 1254 CA GLY A 81 7.142 5.216 -3.910 1.00 0.00 C ATOM 1255 C GLY A 81 7.494 6.245 -2.852 1.00 0.00 C ATOM 1256 O GLY A 81 6.667 7.080 -2.489 1.00 0.00 O ATOM 0 H GLY A 81 6.331 3.346 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.027 4.624 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.853 5.730 -4.827 1.00 0.00 H new ATOM 1260 N GLY A 82 8.727 6.187 -2.359 1.00 0.00 N ATOM 1261 CA GLY A 82 9.162 7.132 -1.348 1.00 0.00 C ATOM 1262 C GLY A 82 10.122 6.521 -0.350 1.00 0.00 C ATOM 1263 O GLY A 82 10.556 5.381 -0.512 1.00 0.00 O ATOM 0 H GLY A 82 9.431 5.504 -2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.642 7.982 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.291 7.518 -0.818 1.00 0.00 H new ATOM 1267 N GLU A 83 10.453 7.283 0.688 1.00 0.00 N ATOM 1268 CA GLU A 83 11.369 6.816 1.722 1.00 0.00 C ATOM 1269 C GLU A 83 10.729 5.713 2.558 1.00 0.00 C ATOM 1270 O GLU A 83 11.418 4.834 3.076 1.00 0.00 O ATOM 1271 CB GLU A 83 11.790 7.980 2.623 1.00 0.00 C ATOM 1272 CG GLU A 83 10.647 8.571 3.432 1.00 0.00 C ATOM 1273 CD GLU A 83 11.085 9.737 4.297 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.092 10.879 3.794 1.00 0.00 O ATOM 1275 OE2 GLU A 83 11.422 9.506 5.477 1.00 0.00 O ATOM 0 H GLU A 83 10.099 8.228 0.835 1.00 0.00 H new ATOM 0 HA GLU A 83 12.253 6.407 1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.567 7.637 3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.231 8.764 2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.860 8.902 2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.216 7.795 4.065 1.00 0.00 H new ATOM 1282 N ARG A 84 9.406 5.773 2.689 1.00 0.00 N ATOM 1283 CA ARG A 84 8.664 4.780 3.462 1.00 0.00 C ATOM 1284 C ARG A 84 9.002 3.370 2.999 1.00 0.00 C ATOM 1285 O ARG A 84 9.550 2.567 3.755 1.00 0.00 O ATOM 1286 CB ARG A 84 7.145 4.996 3.341 1.00 0.00 C ATOM 1287 CG ARG A 84 6.725 6.344 2.762 1.00 0.00 C ATOM 1288 CD ARG A 84 6.845 6.379 1.242 1.00 0.00 C ATOM 1289 NE ARG A 84 6.086 7.486 0.661 1.00 0.00 N ATOM 1290 CZ ARG A 84 6.580 8.707 0.475 1.00 0.00 C ATOM 1291 NH1 ARG A 84 7.828 8.985 0.828 1.00 0.00 N ATOM 1292 NH2 ARG A 84 5.824 9.654 -0.066 1.00 0.00 N ATOM 0 H ARG A 84 8.825 6.499 2.270 1.00 0.00 H new ATOM 0 HA ARG A 84 8.958 4.902 4.505 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.730 4.205 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.699 4.888 4.330 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.695 6.556 3.049 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.344 7.131 3.192 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.894 6.472 0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.487 5.436 0.828 1.00 0.00 H new ATOM 0 HE ARG A 84 5.121 7.311 0.382 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.414 8.261 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.202 9.923 0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.864 9.446 -0.339 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.203 10.590 -0.208 1.00 0.00 H new ATOM 1306 N VAL A 85 8.672 3.081 1.748 1.00 0.00 N ATOM 1307 CA VAL A 85 8.938 1.771 1.165 1.00 0.00 C ATOM 1308 C VAL A 85 10.429 1.573 0.932 1.00 0.00 C ATOM 1309 O VAL A 85 10.902 0.444 0.805 1.00 0.00 O ATOM 1310 CB VAL A 85 8.186 1.562 -0.164 1.00 0.00 C ATOM 1311 CG1 VAL A 85 7.121 0.490 -0.006 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.567 2.863 -0.653 1.00 0.00 C ATOM 0 H VAL A 85 8.218 3.738 1.114 1.00 0.00 H new ATOM 0 HA VAL A 85 8.578 1.034 1.882 1.00 0.00 H new ATOM 0 HB VAL A 85 8.906 1.231 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.599 0.354 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.591 -0.449 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.409 0.795 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.043 2.686 -1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.862 3.233 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.352 3.603 -0.809 1.00 0.00 H new ATOM 1322 N ARG A 86 11.164 2.679 0.870 1.00 0.00 N ATOM 1323 CA ARG A 86 12.604 2.624 0.650 1.00 0.00 C ATOM 1324 C ARG A 86 13.269 1.770 1.722 1.00 0.00 C ATOM 1325 O ARG A 86 14.331 1.194 1.500 1.00 0.00 O ATOM 1326 CB ARG A 86 13.203 4.032 0.655 1.00 0.00 C ATOM 1327 CG ARG A 86 14.612 4.095 0.089 1.00 0.00 C ATOM 1328 CD ARG A 86 15.212 5.484 0.238 1.00 0.00 C ATOM 1329 NE ARG A 86 15.340 5.881 1.638 1.00 0.00 N ATOM 1330 CZ ARG A 86 15.638 7.116 2.031 1.00 0.00 C ATOM 1331 NH1 ARG A 86 15.837 8.071 1.133 1.00 0.00 N ATOM 1332 NH2 ARG A 86 15.736 7.398 3.323 1.00 0.00 N ATOM 0 H ARG A 86 10.787 3.622 0.969 1.00 0.00 H new ATOM 0 HA ARG A 86 12.786 2.172 -0.325 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.558 4.694 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.214 4.410 1.677 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.243 3.368 0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.595 3.816 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 86 16.193 5.507 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 86 14.587 6.206 -0.287 1.00 0.00 H new ATOM 0 HE ARG A 86 15.192 5.171 2.355 1.00 0.00 H new ATOM 0 HH11 ARG A 86 15.762 7.859 0.138 1.00 0.00 H new ATOM 0 HH12 ARG A 86 16.065 9.017 1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 86 15.583 6.667 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 86 15.965 8.346 3.622 1.00 0.00 H new ATOM 1346 N ALA A 87 12.630 1.696 2.886 1.00 0.00 N ATOM 1347 CA ALA A 87 13.147 0.908 3.995 1.00 0.00 C ATOM 1348 C ALA A 87 12.706 -0.543 3.860 1.00 0.00 C ATOM 1349 O ALA A 87 13.359 -1.456 4.367 1.00 0.00 O ATOM 1350 CB ALA A 87 12.675 1.488 5.321 1.00 0.00 C ATOM 0 H ALA A 87 11.751 2.174 3.084 1.00 0.00 H new ATOM 0 HA ALA A 87 14.236 0.943 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.069 0.888 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.032 2.514 5.417 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.586 1.478 5.355 1.00 0.00 H new ATOM 1356 N ALA A 88 11.586 -0.742 3.170 1.00 0.00 N ATOM 1357 CA ALA A 88 11.047 -2.072 2.947 1.00 0.00 C ATOM 1358 C ALA A 88 11.951 -2.870 2.018 1.00 0.00 C ATOM 1359 O ALA A 88 12.268 -4.027 2.291 1.00 0.00 O ATOM 1360 CB ALA A 88 9.641 -1.981 2.372 1.00 0.00 C ATOM 0 H ALA A 88 11.034 0.009 2.755 1.00 0.00 H new ATOM 0 HA ALA A 88 11.000 -2.590 3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.249 -2.985 2.210 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.996 -1.448 3.071 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.670 -1.445 1.423 1.00 0.00 H new ATOM 1366 N MET A 89 12.367 -2.244 0.918 1.00 0.00 N ATOM 1367 CA MET A 89 13.241 -2.906 -0.038 1.00 0.00 C ATOM 1368 C MET A 89 14.622 -3.112 0.566 1.00 0.00 C ATOM 1369 O MET A 89 15.348 -4.026 0.179 1.00 0.00 O ATOM 1370 CB MET A 89 13.328 -2.119 -1.353 1.00 0.00 C ATOM 1371 CG MET A 89 14.051 -0.785 -1.264 1.00 0.00 C ATOM 1372 SD MET A 89 15.842 -0.951 -1.113 1.00 0.00 S ATOM 1373 CE MET A 89 16.343 0.768 -1.096 1.00 0.00 C ATOM 0 H MET A 89 12.113 -1.287 0.672 1.00 0.00 H new ATOM 0 HA MET A 89 12.815 -3.882 -0.270 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.832 -2.738 -2.095 1.00 0.00 H new ATOM 0 HB3 MET A 89 12.317 -1.942 -1.719 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.821 -0.196 -2.152 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.671 -0.230 -0.406 1.00 0.00 H new ATOM 0 HE1 MET A 89 17.155 0.903 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 89 16.682 1.058 -2.090 1.00 0.00 H new ATOM 0 HE3 MET A 89 15.497 1.391 -0.806 1.00 0.00 H new ATOM 1383 N GLU A 90 14.987 -2.250 1.512 1.00 0.00 N ATOM 1384 CA GLU A 90 16.275 -2.365 2.183 1.00 0.00 C ATOM 1385 C GLU A 90 16.274 -3.593 3.078 1.00 0.00 C ATOM 1386 O GLU A 90 17.304 -4.237 3.274 1.00 0.00 O ATOM 1387 CB GLU A 90 16.577 -1.111 3.007 1.00 0.00 C ATOM 1388 CG GLU A 90 17.036 0.072 2.172 1.00 0.00 C ATOM 1389 CD GLU A 90 17.350 1.296 3.009 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.401 2.019 3.383 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.542 1.532 3.293 1.00 0.00 O ATOM 0 H GLU A 90 14.412 -1.469 1.828 1.00 0.00 H new ATOM 0 HA GLU A 90 17.054 -2.467 1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 90 15.683 -0.828 3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.347 -1.346 3.742 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.923 -0.212 1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.261 0.322 1.448 1.00 0.00 H new ATOM 1398 N LYS A 91 15.100 -3.909 3.618 1.00 0.00 N ATOM 1399 CA LYS A 91 14.945 -5.072 4.483 1.00 0.00 C ATOM 1400 C LYS A 91 14.907 -6.352 3.659 1.00 0.00 C ATOM 1401 O LYS A 91 15.302 -7.418 4.135 1.00 0.00 O ATOM 1402 CB LYS A 91 13.670 -4.953 5.320 1.00 0.00 C ATOM 1403 CG LYS A 91 13.563 -5.999 6.417 1.00 0.00 C ATOM 1404 CD LYS A 91 14.580 -5.756 7.521 1.00 0.00 C ATOM 1405 CE LYS A 91 14.625 -6.917 8.501 1.00 0.00 C ATOM 1406 NZ LYS A 91 14.945 -8.203 7.821 1.00 0.00 N ATOM 0 H LYS A 91 14.243 -3.375 3.471 1.00 0.00 H new ATOM 0 HA LYS A 91 15.803 -5.112 5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.632 -3.961 5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.805 -5.038 4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.558 -5.985 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.716 -6.991 5.992 1.00 0.00 H new ATOM 0 HD2 LYS A 91 15.567 -5.610 7.082 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.329 -4.839 8.053 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.372 -6.716 9.269 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.663 -7.003 9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.344 -8.871 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.077 -8.605 7.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.637 -8.032 7.064 1.00 0.00 H new ATOM 1420 N LEU A 92 14.432 -6.245 2.420 1.00 0.00 N ATOM 1421 CA LEU A 92 14.357 -7.393 1.538 1.00 0.00 C ATOM 1422 C LEU A 92 15.701 -7.592 0.846 1.00 0.00 C ATOM 1423 O LEU A 92 16.089 -8.713 0.526 1.00 0.00 O ATOM 1424 CB LEU A 92 13.228 -7.193 0.518 1.00 0.00 C ATOM 1425 CG LEU A 92 13.523 -7.679 -0.900 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.567 -9.199 -0.954 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.485 -7.143 -1.873 1.00 0.00 C ATOM 0 H LEU A 92 14.095 -5.374 2.010 1.00 0.00 H new ATOM 0 HA LEU A 92 14.133 -8.290 2.116 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.339 -7.709 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.986 -6.131 0.475 1.00 0.00 H new ATOM 0 HG LEU A 92 14.502 -7.299 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.779 -9.521 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.349 -9.564 -0.289 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.605 -9.602 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.711 -7.499 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.495 -7.492 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.504 -6.053 -1.861 1.00 0.00 H new ATOM 1439 N ALA A 93 16.413 -6.488 0.637 1.00 0.00 N ATOM 1440 CA ALA A 93 17.720 -6.529 -0.002 1.00 0.00 C ATOM 1441 C ALA A 93 18.710 -7.296 0.866 1.00 0.00 C ATOM 1442 O ALA A 93 19.739 -7.771 0.384 1.00 0.00 O ATOM 1443 CB ALA A 93 18.222 -5.118 -0.268 1.00 0.00 C ATOM 0 H ALA A 93 16.104 -5.553 0.902 1.00 0.00 H new ATOM 0 HA ALA A 93 17.626 -7.047 -0.957 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.200 -5.164 -0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.522 -4.600 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.304 -4.577 0.675 1.00 0.00 H new ATOM 1449 N GLU A 94 18.389 -7.413 2.153 1.00 0.00 N ATOM 1450 CA GLU A 94 19.238 -8.135 3.092 1.00 0.00 C ATOM 1451 C GLU A 94 18.990 -9.632 2.961 1.00 0.00 C ATOM 1452 O GLU A 94 19.864 -10.450 3.250 1.00 0.00 O ATOM 1453 CB GLU A 94 18.963 -7.676 4.526 1.00 0.00 C ATOM 1454 CG GLU A 94 19.976 -8.195 5.534 1.00 0.00 C ATOM 1455 CD GLU A 94 19.670 -7.747 6.951 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.049 -6.611 7.310 1.00 0.00 O ATOM 1457 OE2 GLU A 94 19.054 -8.532 7.702 1.00 0.00 O ATOM 0 H GLU A 94 17.546 -7.016 2.567 1.00 0.00 H new ATOM 0 HA GLU A 94 20.282 -7.923 2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.958 -6.586 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 94 17.967 -8.007 4.820 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.995 -9.284 5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.971 -7.850 5.254 1.00 0.00 H new ATOM 1464 N THR A 95 17.782 -9.977 2.522 1.00 0.00 N ATOM 1465 CA THR A 95 17.399 -11.367 2.320 1.00 0.00 C ATOM 1466 C THR A 95 17.065 -11.603 0.852 1.00 0.00 C ATOM 1467 O THR A 95 16.322 -12.522 0.507 1.00 0.00 O ATOM 1468 CB THR A 95 16.180 -11.749 3.182 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.089 -10.861 2.911 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.525 -11.698 4.663 1.00 0.00 C ATOM 0 H THR A 95 17.048 -9.305 2.299 1.00 0.00 H new ATOM 0 HA THR A 95 18.242 -11.990 2.619 1.00 0.00 H new ATOM 0 HB THR A 95 15.890 -12.769 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.318 -11.112 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.649 -11.972 5.250 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.335 -12.397 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.839 -10.689 4.929 1.00 0.00 H new ATOM 1478 N GLY A 96 17.634 -10.759 -0.004 1.00 0.00 N ATOM 1479 CA GLY A 96 17.392 -10.852 -1.432 1.00 0.00 C ATOM 1480 C GLY A 96 17.719 -12.213 -2.006 1.00 0.00 C ATOM 1481 O GLY A 96 18.872 -12.645 -1.989 1.00 0.00 O ATOM 0 H GLY A 96 18.264 -10.005 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.345 -10.623 -1.632 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.987 -10.096 -1.945 1.00 0.00 H new ATOM 1485 N THR A 97 16.697 -12.887 -2.517 1.00 0.00 N ATOM 1486 CA THR A 97 16.867 -14.203 -3.115 1.00 0.00 C ATOM 1487 C THR A 97 16.002 -14.348 -4.362 1.00 0.00 C ATOM 1488 O THR A 97 14.805 -14.055 -4.338 1.00 0.00 O ATOM 1489 CB THR A 97 16.519 -15.326 -2.120 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.537 -16.595 -2.783 1.00 0.00 O ATOM 1491 CG2 THR A 97 15.150 -15.093 -1.494 1.00 0.00 C ATOM 0 H THR A 97 15.737 -12.541 -2.529 1.00 0.00 H new ATOM 0 HA THR A 97 17.917 -14.295 -3.391 1.00 0.00 H new ATOM 0 HB THR A 97 17.268 -15.321 -1.328 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.316 -17.302 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.927 -15.899 -0.795 1.00 0.00 H new ATOM 0 HG22 THR A 97 15.150 -14.142 -0.962 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.391 -15.071 -2.276 1.00 0.00 H new ATOM 1499 N GLY A 98 16.614 -14.801 -5.451 1.00 0.00 N ATOM 1500 CA GLY A 98 15.887 -14.976 -6.695 1.00 0.00 C ATOM 1501 C GLY A 98 15.259 -13.686 -7.191 1.00 0.00 C ATOM 1502 O GLY A 98 15.893 -12.631 -7.178 1.00 0.00 O ATOM 0 H GLY A 98 17.602 -15.050 -5.494 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.565 -15.362 -7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.107 -15.724 -6.554 1.00 0.00 H new ATOM 1506 N PHE A 99 14.007 -13.776 -7.629 1.00 0.00 N ATOM 1507 CA PHE A 99 13.279 -12.617 -8.140 1.00 0.00 C ATOM 1508 C PHE A 99 12.992 -11.607 -7.029 1.00 0.00 C ATOM 1509 O PHE A 99 12.947 -10.401 -7.274 1.00 0.00 O ATOM 1510 CB PHE A 99 11.970 -13.074 -8.792 1.00 0.00 C ATOM 1511 CG PHE A 99 10.984 -11.966 -9.035 1.00 0.00 C ATOM 1512 CD1 PHE A 99 11.103 -11.140 -10.142 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.934 -11.753 -8.156 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.193 -10.124 -10.366 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.022 -10.738 -8.375 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.152 -9.922 -9.481 1.00 0.00 C ATOM 0 H PHE A 99 13.472 -14.644 -7.641 1.00 0.00 H new ATOM 0 HA PHE A 99 13.902 -12.123 -8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.199 -13.556 -9.742 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.504 -13.827 -8.157 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.916 -11.292 -10.837 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.827 -12.388 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.296 -9.488 -11.233 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.208 -10.583 -7.682 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.441 -9.127 -9.654 1.00 0.00 H new ATOM 1526 N ALA A 100 12.800 -12.107 -5.812 1.00 0.00 N ATOM 1527 CA ALA A 100 12.509 -11.251 -4.666 1.00 0.00 C ATOM 1528 C ALA A 100 13.556 -10.153 -4.502 1.00 0.00 C ATOM 1529 O ALA A 100 13.259 -9.073 -3.996 1.00 0.00 O ATOM 1530 CB ALA A 100 12.422 -12.083 -3.396 1.00 0.00 C ATOM 0 H ALA A 100 12.841 -13.102 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 100 11.548 -10.771 -4.849 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.205 -11.432 -2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.628 -12.822 -3.499 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.371 -12.592 -3.228 1.00 0.00 H new ATOM 1536 N ARG A 101 14.780 -10.429 -4.938 1.00 0.00 N ATOM 1537 CA ARG A 101 15.866 -9.461 -4.825 1.00 0.00 C ATOM 1538 C ARG A 101 15.730 -8.349 -5.857 1.00 0.00 C ATOM 1539 O ARG A 101 15.716 -7.168 -5.505 1.00 0.00 O ATOM 1540 CB ARG A 101 17.211 -10.156 -4.994 1.00 0.00 C ATOM 1541 CG ARG A 101 18.399 -9.218 -4.859 1.00 0.00 C ATOM 1542 CD ARG A 101 19.600 -9.928 -4.260 1.00 0.00 C ATOM 1543 NE ARG A 101 19.948 -11.139 -4.999 1.00 0.00 N ATOM 1544 CZ ARG A 101 20.943 -11.950 -4.656 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.680 -11.684 -3.585 1.00 0.00 N ATOM 1546 NH2 ARG A 101 21.201 -13.031 -5.381 1.00 0.00 N ATOM 0 H ARG A 101 15.045 -11.313 -5.372 1.00 0.00 H new ATOM 0 HA ARG A 101 15.809 -9.014 -3.832 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.298 -10.948 -4.251 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.244 -10.633 -5.974 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.662 -8.818 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.125 -8.370 -4.231 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.454 -9.251 -4.252 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.388 -10.186 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 101 19.397 -11.375 -5.824 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.483 -10.856 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.443 -12.308 -3.323 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.635 -13.241 -6.203 1.00 0.00 H new ATOM 0 HH22 ARG A 101 21.965 -13.652 -5.116 1.00 0.00 H new ATOM 1560 N LYS A 102 15.642 -8.730 -7.131 1.00 0.00 N ATOM 1561 CA LYS A 102 15.503 -7.758 -8.213 1.00 0.00 C ATOM 1562 C LYS A 102 14.410 -6.751 -7.880 1.00 0.00 C ATOM 1563 O LYS A 102 14.431 -5.612 -8.342 1.00 0.00 O ATOM 1564 CB LYS A 102 15.185 -8.468 -9.531 1.00 0.00 C ATOM 1565 CG LYS A 102 14.870 -7.517 -10.676 1.00 0.00 C ATOM 1566 CD LYS A 102 14.582 -8.269 -11.965 1.00 0.00 C ATOM 1567 CE LYS A 102 13.975 -7.355 -13.017 1.00 0.00 C ATOM 1568 NZ LYS A 102 13.641 -8.089 -14.268 1.00 0.00 N ATOM 0 H LYS A 102 15.664 -9.702 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 102 16.448 -7.226 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.033 -9.092 -9.811 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.336 -9.134 -9.379 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.009 -6.902 -10.413 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.710 -6.840 -10.829 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.505 -8.704 -12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.900 -9.095 -11.762 1.00 0.00 H new ATOM 0 HE2 LYS A 102 13.073 -6.891 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.674 -6.550 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.230 -7.429 -14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.505 -8.511 -14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.954 -8.841 -14.057 1.00 0.00 H new ATOM 1582 N VAL A 103 13.460 -7.190 -7.067 1.00 0.00 N ATOM 1583 CA VAL A 103 12.357 -6.343 -6.643 1.00 0.00 C ATOM 1584 C VAL A 103 12.871 -5.109 -5.907 1.00 0.00 C ATOM 1585 O VAL A 103 12.639 -3.981 -6.333 1.00 0.00 O ATOM 1586 CB VAL A 103 11.402 -7.126 -5.721 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.452 -6.187 -4.990 1.00 0.00 C ATOM 1588 CG2 VAL A 103 10.624 -8.162 -6.519 1.00 0.00 C ATOM 0 H VAL A 103 13.432 -8.136 -6.686 1.00 0.00 H new ATOM 0 HA VAL A 103 11.819 -6.024 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 103 12.002 -7.643 -4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.790 -6.767 -4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.027 -5.488 -4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.858 -5.633 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 103 9.954 -8.706 -5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.040 -7.662 -7.292 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.320 -8.860 -6.984 1.00 0.00 H new ATOM 1598 N ALA A 104 13.578 -5.339 -4.806 1.00 0.00 N ATOM 1599 CA ALA A 104 14.129 -4.258 -3.991 1.00 0.00 C ATOM 1600 C ALA A 104 15.145 -3.420 -4.765 1.00 0.00 C ATOM 1601 O ALA A 104 15.011 -2.203 -4.890 1.00 0.00 O ATOM 1602 CB ALA A 104 14.792 -4.842 -2.753 1.00 0.00 C ATOM 0 H ALA A 104 13.785 -6.273 -4.453 1.00 0.00 H new ATOM 0 HA ALA A 104 13.305 -3.604 -3.706 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.203 -4.036 -2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.054 -5.395 -2.171 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.595 -5.515 -3.054 1.00 0.00 H new ATOM 1608 N VAL A 105 16.157 -4.103 -5.271 1.00 0.00 N ATOM 1609 CA VAL A 105 17.252 -3.481 -6.015 1.00 0.00 C ATOM 1610 C VAL A 105 16.770 -2.592 -7.164 1.00 0.00 C ATOM 1611 O VAL A 105 17.161 -1.433 -7.262 1.00 0.00 O ATOM 1612 CB VAL A 105 18.202 -4.554 -6.584 1.00 0.00 C ATOM 1613 CG1 VAL A 105 19.371 -3.910 -7.316 1.00 0.00 C ATOM 1614 CG2 VAL A 105 18.698 -5.467 -5.473 1.00 0.00 C ATOM 0 H VAL A 105 16.248 -5.115 -5.179 1.00 0.00 H new ATOM 0 HA VAL A 105 17.776 -2.848 -5.299 1.00 0.00 H new ATOM 0 HB VAL A 105 17.647 -5.157 -7.303 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.027 -4.687 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 105 18.995 -3.303 -8.139 1.00 0.00 H new ATOM 0 HG13 VAL A 105 19.929 -3.278 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.367 -6.219 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.234 -4.877 -4.730 1.00 0.00 H new ATOM 0 HG23 VAL A 105 17.848 -5.960 -5.001 1.00 0.00 H new ATOM 1624 N ASN A 106 15.957 -3.146 -8.051 1.00 0.00 N ATOM 1625 CA ASN A 106 15.455 -2.392 -9.197 1.00 0.00 C ATOM 1626 C ASN A 106 14.439 -1.322 -8.797 1.00 0.00 C ATOM 1627 O ASN A 106 14.349 -0.276 -9.441 1.00 0.00 O ATOM 1628 CB ASN A 106 14.824 -3.341 -10.217 1.00 0.00 C ATOM 1629 CG ASN A 106 14.286 -2.609 -11.432 1.00 0.00 C ATOM 1630 OD1 ASN A 106 14.835 -1.590 -11.852 1.00 0.00 O ATOM 1631 ND2 ASN A 106 13.202 -3.123 -11.999 1.00 0.00 N ATOM 0 H ASN A 106 15.630 -4.111 -8.003 1.00 0.00 H new ATOM 0 HA ASN A 106 16.311 -1.882 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.566 -4.073 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 106 14.014 -3.895 -9.742 1.00 0.00 H new ATOM 0 HD21 ASN A 106 12.791 -2.672 -12.816 1.00 0.00 H new ATOM 0 HD22 ASN A 106 12.780 -3.969 -11.618 1.00 0.00 H new ATOM 1638 N TYR A 107 13.676 -1.580 -7.739 1.00 0.00 N ATOM 1639 CA TYR A 107 12.647 -0.657 -7.298 1.00 0.00 C ATOM 1640 C TYR A 107 13.230 0.675 -6.844 1.00 0.00 C ATOM 1641 O TYR A 107 12.782 1.738 -7.272 1.00 0.00 O ATOM 1642 CB TYR A 107 11.835 -1.283 -6.172 1.00 0.00 C ATOM 1643 CG TYR A 107 11.064 -0.274 -5.369 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.006 0.431 -5.921 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.414 -0.015 -4.060 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.317 1.368 -5.181 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.734 0.920 -3.310 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.683 1.610 -3.877 1.00 0.00 C ATOM 1649 OH TYR A 107 9.002 2.548 -3.140 1.00 0.00 O ATOM 0 H TYR A 107 13.755 -2.425 -7.173 1.00 0.00 H new ATOM 0 HA TYR A 107 11.998 -0.456 -8.150 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.141 -2.010 -6.594 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.506 -1.830 -5.509 1.00 0.00 H new ATOM 0 HD1 TYR A 107 9.717 0.244 -6.945 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.236 -0.555 -3.615 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.494 1.910 -5.623 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.022 1.111 -2.287 1.00 0.00 H new ATOM 0 HH TYR A 107 9.580 3.324 -2.983 1.00 0.00 H new ATOM 1659 N LEU A 108 14.220 0.601 -5.963 1.00 0.00 N ATOM 1660 CA LEU A 108 14.858 1.789 -5.408 1.00 0.00 C ATOM 1661 C LEU A 108 15.335 2.755 -6.491 1.00 0.00 C ATOM 1662 O LEU A 108 15.645 3.910 -6.201 1.00 0.00 O ATOM 1663 CB LEU A 108 16.021 1.383 -4.503 1.00 0.00 C ATOM 1664 CG LEU A 108 17.143 0.599 -5.179 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.190 1.538 -5.757 1.00 0.00 C ATOM 1666 CD2 LEU A 108 17.780 -0.370 -4.195 1.00 0.00 C ATOM 0 H LEU A 108 14.602 -0.278 -5.615 1.00 0.00 H new ATOM 0 HA LEU A 108 14.107 2.318 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 108 16.447 2.285 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.627 0.783 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 108 16.712 0.027 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.978 0.955 -6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 108 17.725 2.191 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.618 2.142 -4.957 1.00 0.00 H new ATOM 0 HD21 LEU A 108 18.578 -0.921 -4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 108 18.193 0.185 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 108 17.026 -1.070 -3.834 1.00 0.00 H new ATOM 1678 N GLU A 109 15.401 2.284 -7.732 1.00 0.00 N ATOM 1679 CA GLU A 109 15.828 3.133 -8.838 1.00 0.00 C ATOM 1680 C GLU A 109 14.859 4.299 -9.010 1.00 0.00 C ATOM 1681 O GLU A 109 15.151 5.271 -9.708 1.00 0.00 O ATOM 1682 CB GLU A 109 15.909 2.325 -10.134 1.00 0.00 C ATOM 1683 CG GLU A 109 16.568 3.077 -11.278 1.00 0.00 C ATOM 1684 CD GLU A 109 16.564 2.290 -12.574 1.00 0.00 C ATOM 1685 OE1 GLU A 109 15.508 2.246 -13.239 1.00 0.00 O ATOM 1686 OE2 GLU A 109 17.617 1.715 -12.922 1.00 0.00 O ATOM 0 H GLU A 109 15.166 1.327 -7.996 1.00 0.00 H new ATOM 0 HA GLU A 109 16.819 3.525 -8.610 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.465 1.406 -9.946 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.903 2.033 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 109 16.050 4.024 -11.431 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.596 3.316 -11.006 1.00 0.00 H new ATOM 1693 N THR A 110 13.703 4.188 -8.362 1.00 0.00 N ATOM 1694 CA THR A 110 12.677 5.219 -8.426 1.00 0.00 C ATOM 1695 C THR A 110 12.236 5.631 -7.025 1.00 0.00 C ATOM 1696 O THR A 110 11.219 6.307 -6.857 1.00 0.00 O ATOM 1697 CB THR A 110 11.445 4.737 -9.214 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.772 3.558 -9.960 1.00 0.00 O ATOM 1699 CG2 THR A 110 10.955 5.819 -10.163 1.00 0.00 C ATOM 0 H THR A 110 13.454 3.386 -7.782 1.00 0.00 H new ATOM 0 HA THR A 110 13.115 6.075 -8.939 1.00 0.00 H new ATOM 0 HB THR A 110 10.651 4.510 -8.502 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.983 3.256 -10.457 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.084 5.457 -10.709 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.682 6.707 -9.593 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.747 6.070 -10.868 1.00 0.00 H new ATOM 1707 N HIS A 111 13.011 5.213 -6.022 1.00 0.00 N ATOM 1708 CA HIS A 111 12.718 5.531 -4.625 1.00 0.00 C ATOM 1709 C HIS A 111 11.427 4.862 -4.170 1.00 0.00 C ATOM 1710 O HIS A 111 11.514 3.864 -3.427 1.00 0.00 O ATOM 1711 CB HIS A 111 12.620 7.043 -4.419 1.00 0.00 C ATOM 1712 CG HIS A 111 13.829 7.792 -4.890 1.00 0.00 C ATOM 1713 ND1 HIS A 111 14.911 8.062 -4.080 1.00 0.00 N ATOM 1714 CD2 HIS A 111 14.124 8.327 -6.099 1.00 0.00 C ATOM 1715 CE1 HIS A 111 15.818 8.732 -4.769 1.00 0.00 C ATOM 1716 NE2 HIS A 111 15.365 8.905 -5.997 1.00 0.00 N ATOM 1717 OXT HIS A 111 10.341 5.341 -4.559 1.00 0.00 O ATOM 0 H HIS A 111 13.851 4.650 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 111 13.540 5.147 -4.021 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.743 7.417 -4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 111 12.466 7.248 -3.360 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.499 8.303 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 111 16.769 9.079 -4.392 1.00 0.00 H new ATOM 0 HE2 HIS A 111 15.857 9.389 -6.748 1.00 0.00 H new TER 1726 HIS A 111