USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 857 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 44 ASN : amide:sc= -0.0898 K(o=1.2,f=-1.4) USER MOD Set 1.2: A 55 SER OG : rot -93:sc= 1.29 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.231 (180deg=-0.882) USER MOD Single : A 1 MET N :NH3+ 134:sc= 1.31 (180deg=0.382) USER MOD Single : A 2 SER OG : rot -126:sc= -1.24! USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0133 F(o=-1.1,f=-0.013) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= -0.783 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -150:sc= 0 USER MOD Single : A 20 CYS SG : rot 41:sc= 0.00611 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.798 F(o=-2.1!,f=-0.8) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0027) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.029 X(o=-0.029,f=-0.43) USER MOD Single : A 43 SER OG : rot -139:sc= 0.0744 USER MOD Single : A 51 SER OG : rot 78:sc= 1.04 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= 1.14 K(o=1.1,f=-5.5!) USER MOD Single : A 63 GLN : amide:sc= -0.51 X(o=-0.51,f=-0.44) USER MOD Single : A 70 SER OG : rot 180:sc= 0.012 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.02! C(o=-1!,f=-8.9!) USER MOD Single : A 80 SER OG : rot 40:sc= 0.00292 USER MOD Single : A 84 CYS SG : rot -89:sc= 1.19 USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0.824 K(o=0.82,f=-6.7!) USER MOD Single : A 91 SER OG : rot 90:sc= 0.714 USER MOD Single : A 93 LYS NZ :NH3+ -147:sc= 1.21 (180deg=0.989) USER MOD Single : A 94 HIS : +bothHN:sc= 1.09 K(o=1.1,f=-5.5!) USER MOD Single : A 95 TYR OH : rot 165:sc= -0.609 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.00743 K(o=0.0074,f=-8.3!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.824 9.786 11.866 1.00 0.00 N ATOM 2 CA MET A 1 -15.607 9.730 10.403 1.00 0.00 C ATOM 3 C MET A 1 -14.895 8.438 10.034 1.00 0.00 C ATOM 4 O MET A 1 -14.230 7.828 10.873 1.00 0.00 O ATOM 5 CB MET A 1 -14.783 10.930 9.920 1.00 0.00 C ATOM 6 CG MET A 1 -15.431 12.283 10.186 1.00 0.00 C ATOM 7 SD MET A 1 -15.433 12.732 11.936 1.00 0.00 S ATOM 8 CE MET A 1 -13.674 12.839 12.262 1.00 0.00 C ATOM 0 H1 MET A 1 -15.555 10.726 12.221 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.828 9.611 12.075 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.242 9.060 12.331 1.00 0.00 H new ATOM 0 HA MET A 1 -16.581 9.763 9.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.808 10.905 10.406 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.608 10.828 8.849 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.903 13.050 9.620 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.457 12.267 9.819 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.503 13.478 13.128 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.280 11.843 12.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.168 13.261 11.394 1.00 0.00 H new ATOM 17 N SER A 2 -15.039 8.024 8.785 1.00 0.00 N ATOM 18 CA SER A 2 -14.425 6.792 8.313 1.00 0.00 C ATOM 19 C SER A 2 -14.268 6.826 6.800 1.00 0.00 C ATOM 20 O SER A 2 -13.152 6.904 6.284 1.00 0.00 O ATOM 21 CB SER A 2 -15.280 5.588 8.725 1.00 0.00 C ATOM 22 OG SER A 2 -14.716 4.370 8.281 1.00 0.00 O ATOM 0 H SER A 2 -15.577 8.524 8.078 1.00 0.00 H new ATOM 0 HA SER A 2 -13.438 6.698 8.765 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.381 5.568 9.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.283 5.696 8.313 1.00 0.00 H new ATOM 0 HG SER A 2 -15.380 3.873 7.760 1.00 0.00 H new ATOM 28 N GLN A 3 -15.405 6.787 6.108 1.00 0.00 N ATOM 29 CA GLN A 3 -15.446 6.748 4.651 1.00 0.00 C ATOM 30 C GLN A 3 -14.650 5.561 4.106 1.00 0.00 C ATOM 31 O GLN A 3 -13.524 5.717 3.631 1.00 0.00 O ATOM 32 CB GLN A 3 -14.928 8.060 4.046 1.00 0.00 C ATOM 33 CG GLN A 3 -15.132 8.156 2.540 1.00 0.00 C ATOM 34 CD GLN A 3 -14.531 9.410 1.936 1.00 0.00 C ATOM 35 OE1 GLN A 3 -13.427 9.878 2.501 1.00 0.00 O flip ATOM 36 NE2 GLN A 3 -15.044 9.942 0.950 1.00 0.00 N flip ATOM 0 H GLN A 3 -16.326 6.782 6.546 1.00 0.00 H new ATOM 0 HA GLN A 3 -16.489 6.624 4.358 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.433 8.897 4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.865 8.159 4.268 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.689 7.282 2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -16.200 8.131 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -15.894 9.551 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -14.618 10.773 0.540 1.00 0.00 H new ATOM 45 N TRP A 4 -15.222 4.367 4.220 1.00 0.00 N ATOM 46 CA TRP A 4 -14.655 3.191 3.573 1.00 0.00 C ATOM 47 C TRP A 4 -14.874 3.289 2.072 1.00 0.00 C ATOM 48 O TRP A 4 -15.880 2.809 1.546 1.00 0.00 O ATOM 49 CB TRP A 4 -15.288 1.897 4.100 1.00 0.00 C ATOM 50 CG TRP A 4 -14.891 1.545 5.500 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.558 1.862 6.646 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.737 0.797 5.902 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.890 1.361 7.736 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.769 0.702 7.305 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.681 0.196 5.212 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.785 0.036 8.029 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.706 -0.466 5.933 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.765 -0.543 7.329 1.00 0.00 C ATOM 0 H TRP A 4 -16.074 4.189 4.752 1.00 0.00 H new ATOM 0 HA TRP A 4 -13.589 3.159 3.798 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.373 1.992 4.055 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.012 1.075 3.439 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.478 2.425 6.690 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -15.181 1.463 8.708 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.628 0.248 4.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.826 -0.021 9.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.884 -0.932 5.410 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.989 -1.071 7.863 1.00 0.00 H new ATOM 69 N LYS A 5 -13.948 3.940 1.390 1.00 0.00 N ATOM 70 CA LYS A 5 -14.095 4.192 -0.026 1.00 0.00 C ATOM 71 C LYS A 5 -13.887 2.911 -0.818 1.00 0.00 C ATOM 72 O LYS A 5 -12.794 2.346 -0.827 1.00 0.00 O ATOM 73 CB LYS A 5 -13.109 5.270 -0.481 1.00 0.00 C ATOM 74 CG LYS A 5 -13.457 5.869 -1.832 1.00 0.00 C ATOM 75 CD LYS A 5 -14.868 6.433 -1.821 1.00 0.00 C ATOM 76 CE LYS A 5 -15.261 7.016 -3.166 1.00 0.00 C ATOM 77 NZ LYS A 5 -16.671 7.478 -3.168 1.00 0.00 N ATOM 0 H LYS A 5 -13.086 4.303 1.798 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.108 4.550 -0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -13.080 6.065 0.265 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.108 4.841 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -12.747 6.658 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -13.370 5.107 -2.607 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -15.571 5.645 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -14.943 7.206 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -14.603 7.851 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -15.122 6.265 -3.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.906 7.871 -4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -17.300 6.676 -2.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.797 8.212 -2.442 1.00 0.00 H new ATOM 91 N ASP A 6 -14.951 2.438 -1.446 1.00 0.00 N ATOM 92 CA ASP A 6 -14.887 1.243 -2.273 1.00 0.00 C ATOM 93 C ASP A 6 -14.179 1.553 -3.584 1.00 0.00 C ATOM 94 O ASP A 6 -14.648 2.359 -4.386 1.00 0.00 O ATOM 95 CB ASP A 6 -16.294 0.686 -2.524 1.00 0.00 C ATOM 96 CG ASP A 6 -17.259 1.730 -3.053 1.00 0.00 C ATOM 97 OD1 ASP A 6 -17.750 2.553 -2.246 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.539 1.729 -4.270 1.00 0.00 O ATOM 0 H ASP A 6 -15.875 2.866 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.315 0.479 -1.746 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.231 -0.137 -3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.687 0.274 -1.594 1.00 0.00 H new ATOM 103 N ILE A 7 -13.029 0.930 -3.782 1.00 0.00 N ATOM 104 CA ILE A 7 -12.203 1.206 -4.948 1.00 0.00 C ATOM 105 C ILE A 7 -12.554 0.271 -6.094 1.00 0.00 C ATOM 106 O ILE A 7 -13.306 0.626 -7.000 1.00 0.00 O ATOM 107 CB ILE A 7 -10.701 1.046 -4.628 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.336 1.796 -3.343 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.854 1.541 -5.792 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.617 3.280 -3.399 1.00 0.00 C ATOM 0 H ILE A 7 -12.645 0.228 -3.149 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.401 2.238 -5.237 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.496 -0.013 -4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.891 1.362 -2.511 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.277 1.644 -3.134 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.798 1.421 -5.550 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.090 0.963 -6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.067 2.594 -5.975 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.332 3.740 -2.453 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.042 3.729 -4.209 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.680 3.443 -3.576 1.00 0.00 H new ATOM 122 N CYS A 8 -12.009 -0.930 -6.031 1.00 0.00 N ATOM 123 CA CYS A 8 -12.216 -1.928 -7.060 1.00 0.00 C ATOM 124 C CYS A 8 -12.387 -3.285 -6.409 1.00 0.00 C ATOM 125 O CYS A 8 -12.170 -3.430 -5.207 1.00 0.00 O ATOM 126 CB CYS A 8 -11.026 -1.963 -8.024 1.00 0.00 C ATOM 127 SG CYS A 8 -10.741 -0.418 -8.914 1.00 0.00 S ATOM 0 H CYS A 8 -11.411 -1.239 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.111 -1.673 -7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.127 -2.216 -7.463 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.184 -2.762 -8.749 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.714 -0.553 -9.699 1.00 0.00 H new ATOM 133 N LYS A 9 -12.774 -4.273 -7.189 1.00 0.00 N ATOM 134 CA LYS A 9 -12.873 -5.623 -6.676 1.00 0.00 C ATOM 135 C LYS A 9 -11.491 -6.254 -6.613 1.00 0.00 C ATOM 136 O LYS A 9 -10.643 -5.999 -7.466 1.00 0.00 O ATOM 137 CB LYS A 9 -13.811 -6.467 -7.538 1.00 0.00 C ATOM 138 CG LYS A 9 -15.249 -5.974 -7.518 1.00 0.00 C ATOM 139 CD LYS A 9 -16.172 -6.891 -8.302 1.00 0.00 C ATOM 140 CE LYS A 9 -16.220 -8.288 -7.702 1.00 0.00 C ATOM 141 NZ LYS A 9 -17.195 -9.157 -8.408 1.00 0.00 N ATOM 0 H LYS A 9 -13.023 -4.168 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.290 -5.583 -5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.448 -6.467 -8.566 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.783 -7.500 -7.190 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.595 -5.906 -6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -15.294 -4.969 -7.937 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.176 -6.468 -8.320 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -15.833 -6.951 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.229 -8.739 -7.751 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -16.489 -8.222 -6.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.199 -10.101 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -18.145 -8.739 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.925 -9.241 -9.409 1.00 0.00 H new ATOM 155 N ILE A 10 -11.274 -7.078 -5.598 1.00 0.00 N ATOM 156 CA ILE A 10 -9.988 -7.739 -5.401 1.00 0.00 C ATOM 157 C ILE A 10 -9.748 -8.773 -6.505 1.00 0.00 C ATOM 158 O ILE A 10 -8.666 -9.342 -6.631 1.00 0.00 O ATOM 159 CB ILE A 10 -9.927 -8.409 -4.008 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.494 -8.822 -3.667 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.862 -9.611 -3.948 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.331 -9.306 -2.245 1.00 0.00 C ATOM 0 H ILE A 10 -11.975 -7.307 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 10 -9.201 -6.986 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.257 -7.682 -3.266 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -8.179 -9.611 -4.350 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.830 -7.973 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.804 -10.068 -2.960 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.885 -9.286 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.567 -10.340 -4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.291 -9.582 -2.072 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.615 -8.511 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.969 -10.174 -2.081 1.00 0.00 H new ATOM 174 N ASP A 11 -10.777 -8.986 -7.311 1.00 0.00 N ATOM 175 CA ASP A 11 -10.705 -9.900 -8.442 1.00 0.00 C ATOM 176 C ASP A 11 -9.902 -9.267 -9.575 1.00 0.00 C ATOM 177 O ASP A 11 -9.400 -9.957 -10.460 1.00 0.00 O ATOM 178 CB ASP A 11 -12.120 -10.238 -8.919 1.00 0.00 C ATOM 179 CG ASP A 11 -12.145 -11.362 -9.932 1.00 0.00 C ATOM 180 OD1 ASP A 11 -12.098 -12.538 -9.514 1.00 0.00 O ATOM 181 OD2 ASP A 11 -12.234 -11.077 -11.142 1.00 0.00 O ATOM 0 H ASP A 11 -11.684 -8.532 -7.200 1.00 0.00 H new ATOM 0 HA ASP A 11 -10.205 -10.818 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -12.731 -10.515 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -12.572 -9.349 -9.358 1.00 0.00 H new ATOM 186 N ASP A 12 -9.776 -7.944 -9.527 1.00 0.00 N ATOM 187 CA ASP A 12 -9.037 -7.198 -10.541 1.00 0.00 C ATOM 188 C ASP A 12 -7.558 -7.142 -10.185 1.00 0.00 C ATOM 189 O ASP A 12 -6.687 -7.327 -11.038 1.00 0.00 O ATOM 190 CB ASP A 12 -9.601 -5.781 -10.669 1.00 0.00 C ATOM 191 CG ASP A 12 -8.921 -4.975 -11.757 1.00 0.00 C ATOM 192 OD1 ASP A 12 -9.289 -5.143 -12.941 1.00 0.00 O ATOM 193 OD2 ASP A 12 -8.038 -4.155 -11.440 1.00 0.00 O ATOM 0 H ASP A 12 -10.179 -7.363 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.147 -7.709 -11.497 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.669 -5.837 -10.879 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.490 -5.263 -9.716 1.00 0.00 H new ATOM 198 N ILE A 13 -7.287 -6.900 -8.910 1.00 0.00 N ATOM 199 CA ILE A 13 -5.921 -6.829 -8.409 1.00 0.00 C ATOM 200 C ILE A 13 -5.371 -8.232 -8.193 1.00 0.00 C ATOM 201 O ILE A 13 -5.745 -8.925 -7.243 1.00 0.00 O ATOM 202 CB ILE A 13 -5.837 -6.036 -7.086 1.00 0.00 C ATOM 203 CG1 ILE A 13 -6.563 -4.692 -7.223 1.00 0.00 C ATOM 204 CG2 ILE A 13 -4.380 -5.817 -6.690 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.635 -3.905 -5.932 1.00 0.00 C ATOM 0 H ILE A 13 -8.002 -6.748 -8.198 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.324 -6.307 -9.157 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.325 -6.615 -6.302 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.056 -4.090 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.575 -4.871 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.337 -5.257 -5.756 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.890 -6.782 -6.558 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.870 -5.256 -7.473 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.162 -2.967 -6.107 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.169 -4.487 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.626 -3.694 -5.578 1.00 0.00 H new ATOM 217 N LEU A 14 -4.503 -8.649 -9.096 1.00 0.00 N ATOM 218 CA LEU A 14 -3.883 -9.961 -9.022 1.00 0.00 C ATOM 219 C LEU A 14 -2.877 -10.016 -7.876 1.00 0.00 C ATOM 220 O LEU A 14 -2.381 -8.981 -7.429 1.00 0.00 O ATOM 221 CB LEU A 14 -3.188 -10.280 -10.347 1.00 0.00 C ATOM 222 CG LEU A 14 -4.105 -10.296 -11.572 1.00 0.00 C ATOM 223 CD1 LEU A 14 -3.303 -10.592 -12.827 1.00 0.00 C ATOM 224 CD2 LEU A 14 -5.220 -11.319 -11.399 1.00 0.00 C ATOM 0 H LEU A 14 -4.208 -8.092 -9.898 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.658 -10.704 -8.835 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.399 -9.546 -10.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.705 -11.253 -10.261 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.560 -9.311 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.968 -10.600 -13.690 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.542 -9.823 -12.962 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.822 -11.565 -12.730 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.859 -11.313 -12.282 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.787 -12.311 -11.271 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.813 -11.066 -10.520 1.00 0.00 H new ATOM 236 N PRO A 15 -2.581 -11.220 -7.365 1.00 0.00 N ATOM 237 CA PRO A 15 -1.564 -11.406 -6.326 1.00 0.00 C ATOM 238 C PRO A 15 -0.200 -10.884 -6.767 1.00 0.00 C ATOM 239 O PRO A 15 0.167 -11.001 -7.941 1.00 0.00 O ATOM 240 CB PRO A 15 -1.520 -12.923 -6.129 1.00 0.00 C ATOM 241 CG PRO A 15 -2.846 -13.403 -6.610 1.00 0.00 C ATOM 242 CD PRO A 15 -3.220 -12.491 -7.742 1.00 0.00 C ATOM 0 HA PRO A 15 -1.804 -10.858 -5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.706 -13.373 -6.697 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -1.360 -13.182 -5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.790 -14.439 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.589 -13.364 -5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.850 -12.861 -8.698 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -4.301 -12.387 -7.837 1.00 0.00 H new ATOM 250 N GLU A 16 0.526 -10.297 -5.816 1.00 0.00 N ATOM 251 CA GLU A 16 1.841 -9.701 -6.062 1.00 0.00 C ATOM 252 C GLU A 16 1.719 -8.469 -6.958 1.00 0.00 C ATOM 253 O GLU A 16 2.640 -8.132 -7.702 1.00 0.00 O ATOM 254 CB GLU A 16 2.801 -10.727 -6.675 1.00 0.00 C ATOM 255 CG GLU A 16 3.122 -11.881 -5.741 1.00 0.00 C ATOM 256 CD GLU A 16 4.024 -12.914 -6.379 1.00 0.00 C ATOM 257 OE1 GLU A 16 5.262 -12.775 -6.287 1.00 0.00 O ATOM 258 OE2 GLU A 16 3.499 -13.878 -6.978 1.00 0.00 O ATOM 0 H GLU A 16 0.217 -10.221 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 16 2.253 -9.385 -5.104 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.363 -11.122 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.728 -10.226 -6.954 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.600 -11.493 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.194 -12.359 -5.428 1.00 0.00 H new ATOM 265 N THR A 17 0.591 -7.779 -6.853 1.00 0.00 N ATOM 266 CA THR A 17 0.352 -6.589 -7.654 1.00 0.00 C ATOM 267 C THR A 17 -0.045 -5.415 -6.763 1.00 0.00 C ATOM 268 O THR A 17 -0.838 -5.568 -5.831 1.00 0.00 O ATOM 269 CB THR A 17 -0.759 -6.828 -8.700 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.534 -8.069 -9.382 1.00 0.00 O ATOM 271 CG2 THR A 17 -0.811 -5.700 -9.719 1.00 0.00 C ATOM 0 H THR A 17 -0.171 -8.024 -6.221 1.00 0.00 H new ATOM 0 HA THR A 17 1.281 -6.357 -8.175 1.00 0.00 H new ATOM 0 HB THR A 17 -1.711 -6.863 -8.170 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.891 -8.011 -10.293 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.603 -5.898 -10.441 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.012 -4.758 -9.209 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.145 -5.634 -10.238 1.00 0.00 H new ATOM 279 N GLY A 18 0.527 -4.252 -7.041 1.00 0.00 N ATOM 280 CA GLY A 18 0.164 -3.053 -6.320 1.00 0.00 C ATOM 281 C GLY A 18 -0.320 -1.974 -7.262 1.00 0.00 C ATOM 282 O GLY A 18 0.275 -1.756 -8.317 1.00 0.00 O ATOM 0 H GLY A 18 1.240 -4.119 -7.758 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.617 -3.284 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.024 -2.689 -5.757 1.00 0.00 H new ATOM 286 N VAL A 19 -1.401 -1.308 -6.896 1.00 0.00 N ATOM 287 CA VAL A 19 -2.002 -0.297 -7.756 1.00 0.00 C ATOM 288 C VAL A 19 -2.159 1.028 -7.023 1.00 0.00 C ATOM 289 O VAL A 19 -2.184 1.070 -5.792 1.00 0.00 O ATOM 290 CB VAL A 19 -3.383 -0.744 -8.290 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.247 -1.957 -9.197 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.340 -1.041 -7.144 1.00 0.00 C ATOM 0 H VAL A 19 -1.883 -1.448 -6.008 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.324 -0.166 -8.600 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.796 0.077 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.232 -2.252 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.608 -1.708 -10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.804 -2.781 -8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.304 -1.353 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.930 -1.839 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.473 -0.144 -6.539 1.00 0.00 H new ATOM 302 N CYS A 20 -2.263 2.106 -7.784 1.00 0.00 N ATOM 303 CA CYS A 20 -2.459 3.426 -7.213 1.00 0.00 C ATOM 304 C CYS A 20 -3.908 3.868 -7.383 1.00 0.00 C ATOM 305 O CYS A 20 -4.355 4.163 -8.492 1.00 0.00 O ATOM 306 CB CYS A 20 -1.505 4.432 -7.863 1.00 0.00 C ATOM 307 SG CYS A 20 -1.501 4.391 -9.670 1.00 0.00 S ATOM 0 H CYS A 20 -2.214 2.091 -8.803 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.238 3.383 -6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.775 5.436 -7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.494 4.240 -7.504 1.00 0.00 H new ATOM 0 HG CYS A 20 -2.718 4.249 -10.104 1.00 0.00 H new ATOM 313 N ALA A 21 -4.640 3.894 -6.282 1.00 0.00 N ATOM 314 CA ALA A 21 -6.039 4.277 -6.307 1.00 0.00 C ATOM 315 C ALA A 21 -6.200 5.735 -5.909 1.00 0.00 C ATOM 316 O ALA A 21 -5.394 6.272 -5.150 1.00 0.00 O ATOM 317 CB ALA A 21 -6.848 3.386 -5.380 1.00 0.00 C ATOM 0 H ALA A 21 -4.285 3.653 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.412 4.153 -7.324 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.896 3.686 -5.410 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.758 2.349 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.472 3.483 -4.362 1.00 0.00 H new ATOM 323 N LEU A 22 -7.238 6.371 -6.422 1.00 0.00 N ATOM 324 CA LEU A 22 -7.493 7.766 -6.111 1.00 0.00 C ATOM 325 C LEU A 22 -8.582 7.895 -5.057 1.00 0.00 C ATOM 326 O LEU A 22 -9.771 7.772 -5.354 1.00 0.00 O ATOM 327 CB LEU A 22 -7.889 8.539 -7.372 1.00 0.00 C ATOM 328 CG LEU A 22 -6.814 8.615 -8.458 1.00 0.00 C ATOM 329 CD1 LEU A 22 -7.337 9.375 -9.666 1.00 0.00 C ATOM 330 CD2 LEU A 22 -5.552 9.275 -7.922 1.00 0.00 C ATOM 0 H LEU A 22 -7.916 5.945 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.572 8.194 -5.714 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.779 8.076 -7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.164 9.554 -7.085 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.564 7.599 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.561 9.421 -10.431 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.212 8.863 -10.067 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.613 10.386 -9.368 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.801 9.319 -8.711 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.784 10.286 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.165 8.694 -7.085 1.00 0.00 H new ATOM 342 N LEU A 23 -8.167 8.116 -3.821 1.00 0.00 N ATOM 343 CA LEU A 23 -9.101 8.372 -2.741 1.00 0.00 C ATOM 344 C LEU A 23 -9.178 9.880 -2.543 1.00 0.00 C ATOM 345 O LEU A 23 -8.449 10.458 -1.738 1.00 0.00 O ATOM 346 CB LEU A 23 -8.647 7.644 -1.465 1.00 0.00 C ATOM 347 CG LEU A 23 -9.700 7.487 -0.362 1.00 0.00 C ATOM 348 CD1 LEU A 23 -9.457 6.201 0.409 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.665 8.669 0.591 1.00 0.00 C ATOM 0 H LEU A 23 -7.186 8.123 -3.541 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.094 7.992 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.294 6.651 -1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.794 8.181 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.683 7.449 -0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.210 6.098 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.521 5.351 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.466 6.230 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.421 8.535 1.365 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.680 8.735 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.869 9.587 0.040 1.00 0.00 H new ATOM 361 N GLY A 24 -10.034 10.518 -3.328 1.00 0.00 N ATOM 362 CA GLY A 24 -10.021 11.962 -3.410 1.00 0.00 C ATOM 363 C GLY A 24 -8.854 12.429 -4.257 1.00 0.00 C ATOM 364 O GLY A 24 -8.783 12.113 -5.447 1.00 0.00 O ATOM 0 H GLY A 24 -10.737 10.061 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.957 12.317 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.948 12.389 -2.410 1.00 0.00 H new ATOM 368 N ASP A 25 -7.935 13.164 -3.650 1.00 0.00 N ATOM 369 CA ASP A 25 -6.689 13.529 -4.317 1.00 0.00 C ATOM 370 C ASP A 25 -5.536 12.740 -3.723 1.00 0.00 C ATOM 371 O ASP A 25 -4.381 12.888 -4.130 1.00 0.00 O ATOM 372 CB ASP A 25 -6.413 15.029 -4.196 1.00 0.00 C ATOM 373 CG ASP A 25 -7.359 15.861 -5.035 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.092 16.035 -6.245 1.00 0.00 O ATOM 375 OD2 ASP A 25 -8.381 16.340 -4.494 1.00 0.00 O ATOM 0 H ASP A 25 -8.026 13.520 -2.699 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.787 13.289 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.500 15.328 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -5.387 15.232 -4.502 1.00 0.00 H new ATOM 380 N GLU A 26 -5.865 11.891 -2.761 1.00 0.00 N ATOM 381 CA GLU A 26 -4.878 11.061 -2.098 1.00 0.00 C ATOM 382 C GLU A 26 -4.644 9.788 -2.899 1.00 0.00 C ATOM 383 O GLU A 26 -5.541 8.952 -3.029 1.00 0.00 O ATOM 384 CB GLU A 26 -5.353 10.704 -0.686 1.00 0.00 C ATOM 385 CG GLU A 26 -5.609 11.912 0.204 1.00 0.00 C ATOM 386 CD GLU A 26 -4.334 12.542 0.725 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.555 13.089 -0.083 1.00 0.00 O ATOM 388 OE2 GLU A 26 -4.113 12.506 1.955 1.00 0.00 O ATOM 0 H GLU A 26 -6.818 11.760 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.943 11.616 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.269 10.118 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.605 10.068 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.173 12.657 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.230 11.610 1.047 1.00 0.00 H new ATOM 395 N GLN A 27 -3.452 9.651 -3.457 1.00 0.00 N ATOM 396 CA GLN A 27 -3.095 8.435 -4.164 1.00 0.00 C ATOM 397 C GLN A 27 -2.721 7.351 -3.166 1.00 0.00 C ATOM 398 O GLN A 27 -1.688 7.428 -2.497 1.00 0.00 O ATOM 399 CB GLN A 27 -1.955 8.671 -5.154 1.00 0.00 C ATOM 400 CG GLN A 27 -2.343 9.579 -6.311 1.00 0.00 C ATOM 401 CD GLN A 27 -1.331 9.565 -7.442 1.00 0.00 C ATOM 402 OE1 GLN A 27 -0.677 8.431 -7.646 1.00 0.00 O flip ATOM 403 NE2 GLN A 27 -1.153 10.560 -8.140 1.00 0.00 N flip ATOM 0 H GLN A 27 -2.721 10.362 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.962 8.111 -4.740 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.108 9.109 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.622 7.712 -5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.315 9.271 -6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.454 10.599 -5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.676 11.415 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.482 10.531 -8.908 1.00 0.00 H new ATOM 412 N VAL A 28 -3.580 6.356 -3.059 1.00 0.00 N ATOM 413 CA VAL A 28 -3.387 5.276 -2.111 1.00 0.00 C ATOM 414 C VAL A 28 -2.855 4.040 -2.823 1.00 0.00 C ATOM 415 O VAL A 28 -3.403 3.619 -3.841 1.00 0.00 O ATOM 416 CB VAL A 28 -4.706 4.929 -1.388 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.471 3.905 -0.295 1.00 0.00 C ATOM 418 CG2 VAL A 28 -5.351 6.182 -0.816 1.00 0.00 C ATOM 0 H VAL A 28 -4.426 6.273 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.661 5.608 -1.368 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.387 4.495 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.415 3.677 0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.061 2.994 -0.732 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.767 4.306 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.279 5.915 -0.311 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.671 6.648 -0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.566 6.882 -1.624 1.00 0.00 H new ATOM 428 N ALA A 29 -1.783 3.476 -2.296 1.00 0.00 N ATOM 429 CA ALA A 29 -1.171 2.303 -2.893 1.00 0.00 C ATOM 430 C ALA A 29 -1.770 1.037 -2.304 1.00 0.00 C ATOM 431 O ALA A 29 -1.509 0.693 -1.149 1.00 0.00 O ATOM 432 CB ALA A 29 0.334 2.323 -2.685 1.00 0.00 C ATOM 0 H ALA A 29 -1.317 3.813 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.371 2.317 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.776 1.436 -3.139 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.754 3.216 -3.149 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.554 2.332 -1.617 1.00 0.00 H new ATOM 438 N ILE A 30 -2.588 0.362 -3.093 1.00 0.00 N ATOM 439 CA ILE A 30 -3.214 -0.876 -2.666 1.00 0.00 C ATOM 440 C ILE A 30 -2.359 -2.054 -3.099 1.00 0.00 C ATOM 441 O ILE A 30 -2.208 -2.314 -4.294 1.00 0.00 O ATOM 442 CB ILE A 30 -4.628 -1.044 -3.256 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.481 0.194 -2.974 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.292 -2.293 -2.687 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.855 0.136 -3.608 1.00 0.00 C ATOM 0 H ILE A 30 -2.835 0.653 -4.039 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.301 -0.840 -1.580 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.541 -1.158 -4.337 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.591 0.312 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.958 1.077 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.290 -2.400 -3.112 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.695 -3.169 -2.939 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.367 -2.204 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.405 1.045 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.753 0.049 -4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.397 -0.728 -3.224 1.00 0.00 H new ATOM 457 N PHE A 31 -1.792 -2.751 -2.133 1.00 0.00 N ATOM 458 CA PHE A 31 -0.940 -3.887 -2.419 1.00 0.00 C ATOM 459 C PHE A 31 -1.638 -5.186 -2.065 1.00 0.00 C ATOM 460 O PHE A 31 -2.066 -5.378 -0.924 1.00 0.00 O ATOM 461 CB PHE A 31 0.369 -3.800 -1.628 1.00 0.00 C ATOM 462 CG PHE A 31 1.242 -2.635 -1.994 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.050 -2.687 -3.116 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.264 -1.495 -1.208 1.00 0.00 C ATOM 465 CE1 PHE A 31 2.862 -1.622 -3.450 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.076 -0.428 -1.536 1.00 0.00 C ATOM 467 CZ PHE A 31 2.875 -0.490 -2.659 1.00 0.00 C ATOM 0 H PHE A 31 -1.907 -2.549 -1.140 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.721 -3.870 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.133 -3.741 -0.565 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.932 -4.721 -1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.045 -3.570 -3.737 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.639 -1.440 -0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.487 -1.674 -4.329 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.086 0.455 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.509 0.345 -2.919 1.00 0.00 H new ATOM 477 N ARG A 32 -1.767 -6.069 -3.042 1.00 0.00 N ATOM 478 CA ARG A 32 -2.161 -7.435 -2.756 1.00 0.00 C ATOM 479 C ARG A 32 -0.937 -8.319 -2.919 1.00 0.00 C ATOM 480 O ARG A 32 -0.549 -8.656 -4.032 1.00 0.00 O ATOM 481 CB ARG A 32 -3.282 -7.905 -3.691 1.00 0.00 C ATOM 482 CG ARG A 32 -3.798 -9.300 -3.360 1.00 0.00 C ATOM 483 CD ARG A 32 -4.865 -9.754 -4.340 1.00 0.00 C ATOM 484 NE ARG A 32 -5.431 -11.054 -3.970 1.00 0.00 N ATOM 485 CZ ARG A 32 -6.281 -11.745 -4.732 1.00 0.00 C ATOM 486 NH1 ARG A 32 -6.657 -11.272 -5.917 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.757 -12.907 -4.300 1.00 0.00 N ATOM 0 H ARG A 32 -1.606 -5.866 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.547 -7.494 -1.738 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.109 -7.197 -3.639 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.917 -7.894 -4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.968 -10.007 -3.373 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.206 -9.306 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.661 -9.010 -4.380 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.436 -9.816 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.158 -11.456 -3.073 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.295 -10.377 -6.247 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.307 -11.804 -6.496 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.473 -13.268 -3.389 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.407 -13.439 -4.879 1.00 0.00 H new ATOM 501 N PRO A 33 -0.295 -8.681 -1.803 1.00 0.00 N ATOM 502 CA PRO A 33 0.920 -9.480 -1.818 1.00 0.00 C ATOM 503 C PRO A 33 0.655 -10.979 -1.700 1.00 0.00 C ATOM 504 O PRO A 33 1.456 -11.797 -2.146 1.00 0.00 O ATOM 505 CB PRO A 33 1.663 -8.963 -0.590 1.00 0.00 C ATOM 506 CG PRO A 33 0.600 -8.504 0.363 1.00 0.00 C ATOM 507 CD PRO A 33 -0.666 -8.286 -0.434 1.00 0.00 C ATOM 0 HA PRO A 33 1.468 -9.382 -2.755 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.276 -9.746 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.333 -8.144 -0.853 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.438 -9.248 1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.903 -7.582 0.860 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.488 -8.892 -0.052 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.990 -7.246 -0.392 1.00 0.00 H new ATOM 515 N TYR A 34 -0.474 -11.332 -1.108 1.00 0.00 N ATOM 516 CA TYR A 34 -0.817 -12.729 -0.906 1.00 0.00 C ATOM 517 C TYR A 34 -1.774 -13.196 -1.991 1.00 0.00 C ATOM 518 O TYR A 34 -2.352 -12.383 -2.714 1.00 0.00 O ATOM 519 CB TYR A 34 -1.467 -12.935 0.468 1.00 0.00 C ATOM 520 CG TYR A 34 -0.622 -12.479 1.640 1.00 0.00 C ATOM 521 CD1 TYR A 34 0.428 -13.257 2.113 1.00 0.00 C ATOM 522 CD2 TYR A 34 -0.884 -11.275 2.282 1.00 0.00 C ATOM 523 CE1 TYR A 34 1.192 -12.846 3.192 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.125 -10.858 3.359 1.00 0.00 C ATOM 525 CZ TYR A 34 0.910 -11.646 3.810 1.00 0.00 C ATOM 526 OH TYR A 34 1.673 -11.229 4.879 1.00 0.00 O ATOM 0 H TYR A 34 -1.168 -10.671 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 34 0.102 -13.314 -0.954 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.416 -12.399 0.491 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.696 -13.993 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 34 0.652 -14.197 1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.696 -10.654 1.933 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.005 -13.462 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.343 -9.918 3.845 1.00 0.00 H new ATOM 0 HH TYR A 34 1.343 -10.363 5.198 1.00 0.00 H new ATOM 536 N HIS A 35 -1.945 -14.505 -2.096 1.00 0.00 N ATOM 537 CA HIS A 35 -2.930 -15.077 -3.005 1.00 0.00 C ATOM 538 C HIS A 35 -4.295 -15.074 -2.336 1.00 0.00 C ATOM 539 O HIS A 35 -5.319 -15.336 -2.966 1.00 0.00 O ATOM 540 CB HIS A 35 -2.540 -16.502 -3.409 1.00 0.00 C ATOM 541 CG HIS A 35 -1.478 -16.566 -4.464 1.00 0.00 C ATOM 542 ND1 HIS A 35 -0.130 -16.641 -4.190 1.00 0.00 N ATOM 543 CD2 HIS A 35 -1.583 -16.573 -5.811 1.00 0.00 C ATOM 544 CE1 HIS A 35 0.545 -16.686 -5.321 1.00 0.00 C ATOM 545 NE2 HIS A 35 -0.313 -16.648 -6.321 1.00 0.00 N ATOM 0 H HIS A 35 -1.414 -15.193 -1.562 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.967 -14.471 -3.910 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.193 -17.037 -2.525 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.427 -17.023 -3.769 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.499 -16.528 -6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.620 -16.744 -5.413 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.071 -16.671 -7.312 1.00 0.00 H new ATOM 554 N SER A 36 -4.289 -14.765 -1.049 1.00 0.00 N ATOM 555 CA SER A 36 -5.500 -14.702 -0.254 1.00 0.00 C ATOM 556 C SER A 36 -6.238 -13.382 -0.487 1.00 0.00 C ATOM 557 O SER A 36 -5.921 -12.630 -1.412 1.00 0.00 O ATOM 558 CB SER A 36 -5.131 -14.838 1.223 1.00 0.00 C ATOM 559 OG SER A 36 -4.137 -15.831 1.403 1.00 0.00 O ATOM 0 H SER A 36 -3.440 -14.550 -0.527 1.00 0.00 H new ATOM 0 HA SER A 36 -6.162 -15.516 -0.550 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.769 -13.882 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 36 -6.018 -15.095 1.802 1.00 0.00 H new ATOM 0 HG SER A 36 -3.914 -15.901 2.355 1.00 0.00 H new ATOM 565 N ASP A 37 -7.207 -13.106 0.374 1.00 0.00 N ATOM 566 CA ASP A 37 -8.010 -11.888 0.300 1.00 0.00 C ATOM 567 C ASP A 37 -7.450 -10.820 1.234 1.00 0.00 C ATOM 568 O ASP A 37 -8.184 -9.983 1.759 1.00 0.00 O ATOM 569 CB ASP A 37 -9.463 -12.202 0.675 1.00 0.00 C ATOM 570 CG ASP A 37 -9.613 -12.716 2.099 1.00 0.00 C ATOM 571 OD1 ASP A 37 -8.776 -13.537 2.540 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.593 -12.331 2.771 1.00 0.00 O ATOM 0 H ASP A 37 -7.461 -13.721 1.147 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.975 -11.507 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -10.066 -11.302 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.858 -12.946 -0.017 1.00 0.00 H new ATOM 577 N GLN A 38 -6.140 -10.842 1.422 1.00 0.00 N ATOM 578 CA GLN A 38 -5.483 -9.909 2.324 1.00 0.00 C ATOM 579 C GLN A 38 -4.749 -8.828 1.538 1.00 0.00 C ATOM 580 O GLN A 38 -3.809 -9.117 0.790 1.00 0.00 O ATOM 581 CB GLN A 38 -4.511 -10.660 3.235 1.00 0.00 C ATOM 582 CG GLN A 38 -5.165 -11.808 3.993 1.00 0.00 C ATOM 583 CD GLN A 38 -6.271 -11.345 4.925 1.00 0.00 C ATOM 584 OE1 GLN A 38 -6.205 -10.258 5.495 1.00 0.00 O ATOM 585 NE2 GLN A 38 -7.307 -12.158 5.070 1.00 0.00 N ATOM 0 H GLN A 38 -5.509 -11.498 0.961 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.242 -9.426 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.689 -11.051 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.079 -9.960 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.574 -12.523 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -4.406 -12.334 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.326 -13.053 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.086 -11.889 5.671 1.00 0.00 H new ATOM 594 N VAL A 39 -5.194 -7.590 1.700 1.00 0.00 N ATOM 595 CA VAL A 39 -4.598 -6.453 1.011 1.00 0.00 C ATOM 596 C VAL A 39 -4.238 -5.361 2.008 1.00 0.00 C ATOM 597 O VAL A 39 -4.839 -5.264 3.078 1.00 0.00 O ATOM 598 CB VAL A 39 -5.545 -5.862 -0.062 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.790 -6.863 -1.180 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.862 -5.421 0.562 1.00 0.00 C ATOM 0 H VAL A 39 -5.974 -7.346 2.310 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.700 -6.818 0.513 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.061 -4.985 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.458 -6.424 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.842 -7.120 -1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.246 -7.764 -0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.511 -5.009 -0.211 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.350 -6.278 1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.670 -4.660 1.318 1.00 0.00 H new ATOM 610 N PHE A 40 -3.254 -4.548 1.659 1.00 0.00 N ATOM 611 CA PHE A 40 -2.835 -3.447 2.511 1.00 0.00 C ATOM 612 C PHE A 40 -2.729 -2.169 1.694 1.00 0.00 C ATOM 613 O PHE A 40 -2.460 -2.218 0.492 1.00 0.00 O ATOM 614 CB PHE A 40 -1.498 -3.765 3.183 1.00 0.00 C ATOM 615 CG PHE A 40 -1.561 -4.938 4.118 1.00 0.00 C ATOM 616 CD1 PHE A 40 -2.043 -4.783 5.408 1.00 0.00 C ATOM 617 CD2 PHE A 40 -1.142 -6.194 3.710 1.00 0.00 C ATOM 618 CE1 PHE A 40 -2.105 -5.858 6.272 1.00 0.00 C ATOM 619 CE2 PHE A 40 -1.201 -7.273 4.571 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.684 -7.104 5.853 1.00 0.00 C ATOM 0 H PHE A 40 -2.729 -4.630 0.788 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.583 -3.305 3.291 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.752 -3.964 2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.160 -2.888 3.735 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.374 -3.810 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.765 -6.331 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.483 -5.724 7.275 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.870 -8.247 4.242 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.732 -7.946 6.528 1.00 0.00 H new ATOM 630 N ALA A 41 -2.945 -1.029 2.336 1.00 0.00 N ATOM 631 CA ALA A 41 -2.943 0.247 1.638 1.00 0.00 C ATOM 632 C ALA A 41 -2.120 1.291 2.383 1.00 0.00 C ATOM 633 O ALA A 41 -2.308 1.515 3.582 1.00 0.00 O ATOM 634 CB ALA A 41 -4.366 0.740 1.445 1.00 0.00 C ATOM 0 H ALA A 41 -3.124 -0.963 3.338 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.481 0.093 0.663 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.352 1.696 0.921 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.927 0.013 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.842 0.866 2.417 1.00 0.00 H new ATOM 640 N ILE A 42 -1.204 1.922 1.666 1.00 0.00 N ATOM 641 CA ILE A 42 -0.372 2.978 2.229 1.00 0.00 C ATOM 642 C ILE A 42 -0.313 4.165 1.274 1.00 0.00 C ATOM 643 O ILE A 42 -0.980 4.168 0.239 1.00 0.00 O ATOM 644 CB ILE A 42 1.065 2.487 2.518 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.728 1.961 1.240 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.056 1.419 3.602 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.170 1.543 1.431 1.00 0.00 C ATOM 0 H ILE A 42 -1.016 1.720 0.684 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.826 3.279 3.173 1.00 0.00 H new ATOM 0 HB ILE A 42 1.650 3.334 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.158 1.109 0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.681 2.734 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.076 1.085 3.792 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.633 1.833 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.452 0.573 3.274 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.573 1.182 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.755 2.398 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.223 0.748 2.175 1.00 0.00 H new ATOM 659 N SER A 43 0.471 5.173 1.629 1.00 0.00 N ATOM 660 CA SER A 43 0.675 6.320 0.759 1.00 0.00 C ATOM 661 C SER A 43 1.403 5.882 -0.512 1.00 0.00 C ATOM 662 O SER A 43 2.489 5.313 -0.441 1.00 0.00 O ATOM 663 CB SER A 43 1.484 7.391 1.491 1.00 0.00 C ATOM 664 OG SER A 43 0.920 7.670 2.764 1.00 0.00 O ATOM 0 H SER A 43 0.976 5.219 2.514 1.00 0.00 H new ATOM 0 HA SER A 43 -0.293 6.739 0.484 1.00 0.00 H new ATOM 0 HB2 SER A 43 2.514 7.056 1.611 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.513 8.302 0.894 1.00 0.00 H new ATOM 0 HG SER A 43 0.946 8.636 2.929 1.00 0.00 H new ATOM 670 N ASN A 44 0.793 6.123 -1.668 1.00 0.00 N ATOM 671 CA ASN A 44 1.385 5.712 -2.938 1.00 0.00 C ATOM 672 C ASN A 44 2.534 6.632 -3.321 1.00 0.00 C ATOM 673 O ASN A 44 3.497 6.208 -3.959 1.00 0.00 O ATOM 674 CB ASN A 44 0.326 5.699 -4.046 1.00 0.00 C ATOM 675 CG ASN A 44 0.895 5.352 -5.410 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.025 4.182 -5.765 1.00 0.00 O ATOM 677 ND2 ASN A 44 1.220 6.369 -6.192 1.00 0.00 N ATOM 0 H ASN A 44 -0.106 6.598 -1.753 1.00 0.00 H new ATOM 0 HA ASN A 44 1.777 4.702 -2.817 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.451 4.979 -3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.151 6.678 -4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.593 6.196 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.097 7.326 -5.861 1.00 0.00 H new ATOM 684 N ILE A 45 2.422 7.891 -2.928 1.00 0.00 N ATOM 685 CA ILE A 45 3.452 8.871 -3.227 1.00 0.00 C ATOM 686 C ILE A 45 4.205 9.252 -1.961 1.00 0.00 C ATOM 687 O ILE A 45 3.598 9.601 -0.947 1.00 0.00 O ATOM 688 CB ILE A 45 2.857 10.151 -3.861 1.00 0.00 C ATOM 689 CG1 ILE A 45 2.024 9.795 -5.095 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.965 11.133 -4.224 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.536 10.996 -5.872 1.00 0.00 C ATOM 0 H ILE A 45 1.629 8.257 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 45 4.134 8.412 -3.943 1.00 0.00 H new ATOM 0 HB ILE A 45 2.204 10.629 -3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.621 9.166 -5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.164 9.203 -4.782 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.528 12.027 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.517 11.408 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.644 10.668 -4.938 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.954 10.662 -6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.911 11.616 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.391 11.578 -6.217 1.00 0.00 H new ATOM 703 N ASP A 46 5.523 9.160 -2.020 1.00 0.00 N ATOM 704 CA ASP A 46 6.367 9.612 -0.926 1.00 0.00 C ATOM 705 C ASP A 46 6.481 11.135 -0.975 1.00 0.00 C ATOM 706 O ASP A 46 6.872 11.706 -1.992 1.00 0.00 O ATOM 707 CB ASP A 46 7.744 8.934 -1.002 1.00 0.00 C ATOM 708 CG ASP A 46 8.909 9.891 -0.823 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.066 10.462 0.277 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.674 10.067 -1.790 1.00 0.00 O ATOM 0 H ASP A 46 6.033 8.776 -2.815 1.00 0.00 H new ATOM 0 HA ASP A 46 5.921 9.332 0.028 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.800 8.160 -0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.840 8.435 -1.966 1.00 0.00 H new ATOM 715 N PRO A 47 6.097 11.815 0.114 1.00 0.00 N ATOM 716 CA PRO A 47 6.051 13.270 0.168 1.00 0.00 C ATOM 717 C PRO A 47 7.377 13.906 0.576 1.00 0.00 C ATOM 718 O PRO A 47 7.526 15.128 0.530 1.00 0.00 O ATOM 719 CB PRO A 47 4.981 13.552 1.234 1.00 0.00 C ATOM 720 CG PRO A 47 4.638 12.230 1.861 1.00 0.00 C ATOM 721 CD PRO A 47 5.651 11.229 1.376 1.00 0.00 C ATOM 0 HA PRO A 47 5.834 13.693 -0.813 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.355 14.250 1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.099 14.008 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 47 4.660 12.303 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 47 3.630 11.923 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.474 11.110 2.081 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.210 10.243 1.232 1.00 0.00 H new ATOM 729 N PHE A 48 8.342 13.087 0.967 1.00 0.00 N ATOM 730 CA PHE A 48 9.614 13.603 1.449 1.00 0.00 C ATOM 731 C PHE A 48 10.591 13.752 0.294 1.00 0.00 C ATOM 732 O PHE A 48 11.102 14.841 0.030 1.00 0.00 O ATOM 733 CB PHE A 48 10.200 12.678 2.518 1.00 0.00 C ATOM 734 CG PHE A 48 9.283 12.454 3.684 1.00 0.00 C ATOM 735 CD1 PHE A 48 9.071 13.456 4.616 1.00 0.00 C ATOM 736 CD2 PHE A 48 8.631 11.242 3.847 1.00 0.00 C ATOM 737 CE1 PHE A 48 8.226 13.256 5.689 1.00 0.00 C ATOM 738 CE2 PHE A 48 7.785 11.035 4.919 1.00 0.00 C ATOM 739 CZ PHE A 48 7.582 12.043 5.841 1.00 0.00 C ATOM 0 H PHE A 48 8.270 12.070 0.960 1.00 0.00 H new ATOM 0 HA PHE A 48 9.442 14.582 1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.439 11.716 2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 48 11.137 13.101 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.573 14.405 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.786 10.451 3.128 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.069 14.046 6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.283 10.086 5.036 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.921 11.883 6.680 1.00 0.00 H new ATOM 749 N PHE A 49 10.822 12.658 -0.409 1.00 0.00 N ATOM 750 CA PHE A 49 11.759 12.647 -1.519 1.00 0.00 C ATOM 751 C PHE A 49 11.006 12.867 -2.830 1.00 0.00 C ATOM 752 O PHE A 49 11.604 13.110 -3.881 1.00 0.00 O ATOM 753 CB PHE A 49 12.515 11.315 -1.531 1.00 0.00 C ATOM 754 CG PHE A 49 13.697 11.283 -2.453 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.904 11.843 -2.066 1.00 0.00 C ATOM 756 CD2 PHE A 49 13.607 10.684 -3.696 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.999 11.805 -2.904 1.00 0.00 C ATOM 758 CE2 PHE A 49 14.697 10.647 -4.539 1.00 0.00 C ATOM 759 CZ PHE A 49 15.894 11.208 -4.143 1.00 0.00 C ATOM 0 H PHE A 49 10.371 11.761 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 49 12.483 13.454 -1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.853 11.094 -0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.825 10.522 -1.817 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.988 12.314 -1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 49 12.673 10.241 -4.010 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.936 12.241 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 49 14.614 10.179 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 49 16.748 11.180 -4.803 1.00 0.00 H new ATOM 769 N GLU A 50 9.680 12.799 -2.731 1.00 0.00 N ATOM 770 CA GLU A 50 8.781 12.964 -3.866 1.00 0.00 C ATOM 771 C GLU A 50 8.951 11.837 -4.877 1.00 0.00 C ATOM 772 O GLU A 50 9.371 12.048 -6.019 1.00 0.00 O ATOM 773 CB GLU A 50 8.942 14.338 -4.525 1.00 0.00 C ATOM 774 CG GLU A 50 8.381 15.472 -3.679 1.00 0.00 C ATOM 775 CD GLU A 50 8.391 16.805 -4.396 1.00 0.00 C ATOM 776 OE1 GLU A 50 7.629 16.966 -5.376 1.00 0.00 O ATOM 777 OE2 GLU A 50 9.146 17.705 -3.976 1.00 0.00 O ATOM 0 H GLU A 50 9.196 12.626 -1.850 1.00 0.00 H new ATOM 0 HA GLU A 50 7.763 12.911 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.999 14.522 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.441 14.332 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.359 15.230 -3.388 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.962 15.555 -2.761 1.00 0.00 H new ATOM 784 N SER A 51 8.623 10.636 -4.433 1.00 0.00 N ATOM 785 CA SER A 51 8.609 9.468 -5.291 1.00 0.00 C ATOM 786 C SER A 51 7.165 9.146 -5.661 1.00 0.00 C ATOM 787 O SER A 51 6.346 8.848 -4.791 1.00 0.00 O ATOM 788 CB SER A 51 9.257 8.285 -4.568 1.00 0.00 C ATOM 789 OG SER A 51 10.522 8.653 -4.039 1.00 0.00 O ATOM 0 H SER A 51 8.359 10.445 -3.466 1.00 0.00 H new ATOM 0 HA SER A 51 9.177 9.665 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.606 7.943 -3.763 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.375 7.450 -5.259 1.00 0.00 H new ATOM 0 HG SER A 51 10.395 9.175 -3.219 1.00 0.00 H new ATOM 795 N SER A 52 6.859 9.218 -6.951 1.00 0.00 N ATOM 796 CA SER A 52 5.476 9.192 -7.416 1.00 0.00 C ATOM 797 C SER A 52 4.773 7.867 -7.142 1.00 0.00 C ATOM 798 O SER A 52 3.609 7.849 -6.755 1.00 0.00 O ATOM 799 CB SER A 52 5.419 9.520 -8.906 1.00 0.00 C ATOM 800 OG SER A 52 6.066 10.755 -9.175 1.00 0.00 O ATOM 0 H SER A 52 7.551 9.295 -7.696 1.00 0.00 H new ATOM 0 HA SER A 52 4.940 9.951 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.895 8.723 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.380 9.570 -9.233 1.00 0.00 H new ATOM 0 HG SER A 52 6.020 10.946 -10.135 1.00 0.00 H new ATOM 806 N VAL A 53 5.456 6.764 -7.363 1.00 0.00 N ATOM 807 CA VAL A 53 4.827 5.462 -7.175 1.00 0.00 C ATOM 808 C VAL A 53 5.647 4.528 -6.288 1.00 0.00 C ATOM 809 O VAL A 53 6.817 4.254 -6.559 1.00 0.00 O ATOM 810 CB VAL A 53 4.560 4.766 -8.531 1.00 0.00 C ATOM 811 CG1 VAL A 53 3.390 5.422 -9.252 1.00 0.00 C ATOM 812 CG2 VAL A 53 5.809 4.790 -9.406 1.00 0.00 C ATOM 0 H VAL A 53 6.429 6.735 -7.668 1.00 0.00 H new ATOM 0 HA VAL A 53 3.882 5.662 -6.671 1.00 0.00 H new ATOM 0 HB VAL A 53 4.301 3.726 -8.333 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.219 4.917 -10.203 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.494 5.347 -8.635 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.618 6.472 -9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.599 4.295 -10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.103 5.823 -9.593 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.620 4.269 -8.897 1.00 0.00 H new ATOM 822 N LEU A 54 5.018 4.045 -5.225 1.00 0.00 N ATOM 823 CA LEU A 54 5.558 2.941 -4.443 1.00 0.00 C ATOM 824 C LEU A 54 5.004 1.614 -4.957 1.00 0.00 C ATOM 825 O LEU A 54 5.613 0.561 -4.789 1.00 0.00 O ATOM 826 CB LEU A 54 5.229 3.115 -2.958 1.00 0.00 C ATOM 827 CG LEU A 54 5.812 4.372 -2.306 1.00 0.00 C ATOM 828 CD1 LEU A 54 5.493 4.397 -0.820 1.00 0.00 C ATOM 829 CD2 LEU A 54 7.314 4.446 -2.529 1.00 0.00 C ATOM 0 H LEU A 54 4.127 4.404 -4.883 1.00 0.00 H new ATOM 0 HA LEU A 54 6.642 2.938 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.145 3.134 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.593 2.242 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 54 5.354 5.244 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.915 5.297 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.412 4.394 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.923 3.518 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.708 5.346 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.791 3.569 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.522 4.476 -3.599 1.00 0.00 H new ATOM 841 N SER A 55 3.838 1.696 -5.596 1.00 0.00 N ATOM 842 CA SER A 55 3.110 0.521 -6.073 1.00 0.00 C ATOM 843 C SER A 55 3.887 -0.242 -7.145 1.00 0.00 C ATOM 844 O SER A 55 3.745 -1.455 -7.288 1.00 0.00 O ATOM 845 CB SER A 55 1.751 0.966 -6.615 1.00 0.00 C ATOM 846 OG SER A 55 1.872 2.174 -7.350 1.00 0.00 O ATOM 0 H SER A 55 3.371 2.580 -5.798 1.00 0.00 H new ATOM 0 HA SER A 55 2.975 -0.163 -5.235 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.336 0.186 -7.254 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.053 1.106 -5.789 1.00 0.00 H new ATOM 0 HG SER A 55 1.708 2.936 -6.756 1.00 0.00 H new ATOM 852 N ARG A 56 4.722 0.478 -7.879 1.00 0.00 N ATOM 853 CA ARG A 56 5.512 -0.106 -8.957 1.00 0.00 C ATOM 854 C ARG A 56 6.827 -0.670 -8.423 1.00 0.00 C ATOM 855 O ARG A 56 7.874 -0.538 -9.057 1.00 0.00 O ATOM 856 CB ARG A 56 5.780 0.937 -10.044 1.00 0.00 C ATOM 857 CG ARG A 56 4.512 1.501 -10.664 1.00 0.00 C ATOM 858 CD ARG A 56 4.822 2.407 -11.843 1.00 0.00 C ATOM 859 NE ARG A 56 5.400 1.668 -12.963 1.00 0.00 N ATOM 860 CZ ARG A 56 5.639 2.192 -14.160 1.00 0.00 C ATOM 861 NH1 ARG A 56 5.423 3.483 -14.383 1.00 0.00 N ATOM 862 NH2 ARG A 56 6.116 1.421 -15.129 1.00 0.00 N ATOM 0 H ARG A 56 4.872 1.478 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 56 4.942 -0.927 -9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.362 1.754 -9.618 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.390 0.486 -10.827 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.871 0.682 -10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.955 2.060 -9.911 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.908 2.903 -12.169 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.514 3.188 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 56 5.635 0.686 -12.816 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.072 4.078 -13.633 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.608 3.879 -15.304 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.297 0.433 -14.952 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.302 1.817 -16.051 1.00 0.00 H new ATOM 876 N GLY A 57 6.765 -1.320 -7.271 1.00 0.00 N ATOM 877 CA GLY A 57 7.968 -1.802 -6.627 1.00 0.00 C ATOM 878 C GLY A 57 7.819 -3.223 -6.131 1.00 0.00 C ATOM 879 O GLY A 57 6.709 -3.751 -6.054 1.00 0.00 O ATOM 0 H GLY A 57 5.900 -1.523 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.800 -1.749 -7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.216 -1.150 -5.789 1.00 0.00 H new ATOM 883 N LEU A 58 8.944 -3.848 -5.820 1.00 0.00 N ATOM 884 CA LEU A 58 8.973 -5.266 -5.487 1.00 0.00 C ATOM 885 C LEU A 58 8.581 -5.498 -4.033 1.00 0.00 C ATOM 886 O LEU A 58 8.937 -4.717 -3.153 1.00 0.00 O ATOM 887 CB LEU A 58 10.365 -5.863 -5.746 1.00 0.00 C ATOM 888 CG LEU A 58 10.842 -5.878 -7.209 1.00 0.00 C ATOM 889 CD1 LEU A 58 9.763 -6.431 -8.125 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.286 -4.493 -7.661 1.00 0.00 C ATOM 0 H LEU A 58 9.856 -3.392 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 58 8.248 -5.765 -6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.091 -5.305 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 58 10.372 -6.888 -5.374 1.00 0.00 H new ATOM 0 HG LEU A 58 11.708 -6.538 -7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 58 10.124 -6.431 -9.154 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.519 -7.450 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.871 -5.808 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 11.617 -4.538 -8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 58 10.451 -3.798 -7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.108 -4.151 -7.032 1.00 0.00 H new ATOM 902 N ILE A 59 7.856 -6.579 -3.792 1.00 0.00 N ATOM 903 CA ILE A 59 7.435 -6.937 -2.447 1.00 0.00 C ATOM 904 C ILE A 59 8.236 -8.140 -1.963 1.00 0.00 C ATOM 905 O ILE A 59 8.009 -9.268 -2.402 1.00 0.00 O ATOM 906 CB ILE A 59 5.925 -7.263 -2.390 1.00 0.00 C ATOM 907 CG1 ILE A 59 5.107 -6.098 -2.959 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.502 -7.561 -0.957 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.620 -6.375 -3.038 1.00 0.00 C ATOM 0 H ILE A 59 7.545 -7.227 -4.516 1.00 0.00 H new ATOM 0 HA ILE A 59 7.619 -6.080 -1.799 1.00 0.00 H new ATOM 0 HB ILE A 59 5.736 -8.148 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.270 -5.216 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.476 -5.860 -3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.436 -7.789 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.065 -8.416 -0.582 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.702 -6.692 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.109 -5.505 -3.450 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.444 -7.237 -3.681 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.235 -6.582 -2.040 1.00 0.00 H new ATOM 921 N ALA A 60 9.181 -7.893 -1.070 1.00 0.00 N ATOM 922 CA ALA A 60 10.083 -8.937 -0.609 1.00 0.00 C ATOM 923 C ALA A 60 9.847 -9.263 0.859 1.00 0.00 C ATOM 924 O ALA A 60 9.447 -8.399 1.643 1.00 0.00 O ATOM 925 CB ALA A 60 11.529 -8.523 -0.833 1.00 0.00 C ATOM 0 H ALA A 60 9.344 -6.978 -0.650 1.00 0.00 H new ATOM 0 HA ALA A 60 9.879 -9.837 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.192 -9.314 -0.483 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.698 -8.351 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.735 -7.606 -0.280 1.00 0.00 H new ATOM 931 N GLU A 61 10.101 -10.512 1.222 1.00 0.00 N ATOM 932 CA GLU A 61 9.928 -10.963 2.595 1.00 0.00 C ATOM 933 C GLU A 61 11.057 -10.446 3.479 1.00 0.00 C ATOM 934 O GLU A 61 12.212 -10.372 3.057 1.00 0.00 O ATOM 935 CB GLU A 61 9.902 -12.494 2.659 1.00 0.00 C ATOM 936 CG GLU A 61 9.667 -13.042 4.060 1.00 0.00 C ATOM 937 CD GLU A 61 9.969 -14.522 4.169 1.00 0.00 C ATOM 938 OE1 GLU A 61 9.168 -15.331 3.663 1.00 0.00 O ATOM 939 OE2 GLU A 61 11.014 -14.879 4.756 1.00 0.00 O ATOM 0 H GLU A 61 10.429 -11.234 0.581 1.00 0.00 H new ATOM 0 HA GLU A 61 8.979 -10.569 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.119 -12.864 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.848 -12.881 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.290 -12.496 4.768 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.630 -12.865 4.345 1.00 0.00 H new ATOM 946 N HIS A 62 10.709 -10.076 4.697 1.00 0.00 N ATOM 947 CA HIS A 62 11.691 -9.723 5.702 1.00 0.00 C ATOM 948 C HIS A 62 11.409 -10.494 6.986 1.00 0.00 C ATOM 949 O HIS A 62 10.789 -9.971 7.905 1.00 0.00 O ATOM 950 CB HIS A 62 11.681 -8.210 5.961 1.00 0.00 C ATOM 951 CG HIS A 62 12.635 -7.753 7.027 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.239 -7.454 8.315 1.00 0.00 N ATOM 953 CD2 HIS A 62 13.970 -7.528 6.985 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.287 -7.063 9.015 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.347 -7.100 8.231 1.00 0.00 N ATOM 0 H HIS A 62 9.742 -10.012 5.016 1.00 0.00 H new ATOM 0 HA HIS A 62 12.683 -9.992 5.340 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.921 -7.694 5.031 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.672 -7.909 6.242 1.00 0.00 H new ATOM 0 HD1 HIS A 62 11.285 -7.524 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.616 -7.661 6.130 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.278 -6.764 10.053 1.00 0.00 H new ATOM 964 N GLN A 63 11.802 -11.765 6.996 1.00 0.00 N ATOM 965 CA GLN A 63 11.722 -12.613 8.190 1.00 0.00 C ATOM 966 C GLN A 63 10.293 -12.760 8.713 1.00 0.00 C ATOM 967 O GLN A 63 10.082 -13.164 9.858 1.00 0.00 O ATOM 968 CB GLN A 63 12.638 -12.069 9.294 1.00 0.00 C ATOM 969 CG GLN A 63 14.114 -12.403 9.102 1.00 0.00 C ATOM 970 CD GLN A 63 14.693 -11.874 7.801 1.00 0.00 C ATOM 971 OE1 GLN A 63 15.182 -10.746 7.736 1.00 0.00 O ATOM 972 NE2 GLN A 63 14.650 -12.687 6.756 1.00 0.00 N ATOM 0 H GLN A 63 12.185 -12.239 6.178 1.00 0.00 H new ATOM 0 HA GLN A 63 12.058 -13.607 7.896 1.00 0.00 H new ATOM 0 HB2 GLN A 63 12.525 -10.986 9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.308 -12.468 10.253 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.682 -11.992 9.936 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.240 -13.485 9.133 1.00 0.00 H new ATOM 0 HE21 GLN A 63 14.237 -13.615 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 63 15.030 -12.385 5.859 1.00 0.00 H new ATOM 981 N GLY A 64 9.316 -12.466 7.872 1.00 0.00 N ATOM 982 CA GLY A 64 7.935 -12.584 8.286 1.00 0.00 C ATOM 983 C GLY A 64 7.065 -11.502 7.691 1.00 0.00 C ATOM 984 O GLY A 64 5.954 -11.772 7.231 1.00 0.00 O ATOM 0 H GLY A 64 9.453 -12.149 6.912 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.551 -13.560 7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.878 -12.536 9.373 1.00 0.00 H new ATOM 988 N GLU A 65 7.567 -10.275 7.687 1.00 0.00 N ATOM 989 CA GLU A 65 6.803 -9.157 7.145 1.00 0.00 C ATOM 990 C GLU A 65 7.073 -9.019 5.658 1.00 0.00 C ATOM 991 O GLU A 65 8.092 -9.496 5.157 1.00 0.00 O ATOM 992 CB GLU A 65 7.146 -7.828 7.829 1.00 0.00 C ATOM 993 CG GLU A 65 7.407 -7.921 9.320 1.00 0.00 C ATOM 994 CD GLU A 65 8.852 -8.240 9.623 1.00 0.00 C ATOM 995 OE1 GLU A 65 9.732 -7.447 9.218 1.00 0.00 O ATOM 996 OE2 GLU A 65 9.115 -9.279 10.253 1.00 0.00 O ATOM 0 H GLU A 65 8.489 -10.029 8.048 1.00 0.00 H new ATOM 0 HA GLU A 65 5.751 -9.374 7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.028 -7.406 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.326 -7.129 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.137 -6.978 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.768 -8.690 9.753 1.00 0.00 H new ATOM 1003 N LEU A 66 6.164 -8.371 4.958 1.00 0.00 N ATOM 1004 CA LEU A 66 6.352 -8.097 3.546 1.00 0.00 C ATOM 1005 C LEU A 66 6.667 -6.622 3.335 1.00 0.00 C ATOM 1006 O LEU A 66 5.865 -5.745 3.664 1.00 0.00 O ATOM 1007 CB LEU A 66 5.114 -8.505 2.748 1.00 0.00 C ATOM 1008 CG LEU A 66 4.774 -9.997 2.799 1.00 0.00 C ATOM 1009 CD1 LEU A 66 3.541 -10.286 1.967 1.00 0.00 C ATOM 1010 CD2 LEU A 66 5.949 -10.832 2.310 1.00 0.00 C ATOM 0 H LEU A 66 5.286 -8.023 5.344 1.00 0.00 H new ATOM 0 HA LEU A 66 7.195 -8.687 3.186 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.259 -7.940 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.260 -8.216 1.707 1.00 0.00 H new ATOM 0 HG LEU A 66 4.567 -10.267 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.312 -11.351 2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.697 -9.716 2.357 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.725 -9.999 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.687 -11.889 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.186 -10.559 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.816 -10.646 2.944 1.00 0.00 H new ATOM 1022 N TRP A 67 7.848 -6.360 2.805 1.00 0.00 N ATOM 1023 CA TRP A 67 8.311 -4.999 2.594 1.00 0.00 C ATOM 1024 C TRP A 67 8.375 -4.685 1.108 1.00 0.00 C ATOM 1025 O TRP A 67 8.897 -5.477 0.322 1.00 0.00 O ATOM 1026 CB TRP A 67 9.694 -4.800 3.222 1.00 0.00 C ATOM 1027 CG TRP A 67 9.700 -4.822 4.724 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.429 -5.886 5.537 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.008 -3.725 5.592 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.556 -5.518 6.855 1.00 0.00 N ATOM 1031 CE2 TRP A 67 9.909 -4.196 6.915 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.362 -2.392 5.379 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.148 -3.378 8.016 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.596 -1.581 6.472 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.492 -2.078 7.776 1.00 0.00 C ATOM 0 H TRP A 67 8.510 -7.078 2.510 1.00 0.00 H new ATOM 0 HA TRP A 67 7.603 -4.321 3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.362 -5.580 2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.101 -3.847 2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.155 -6.873 5.194 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.411 -6.130 7.658 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.451 -2.001 4.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.064 -3.758 9.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.864 -0.546 6.318 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.688 -1.420 8.610 1.00 0.00 H new ATOM 1046 N VAL A 68 7.851 -3.532 0.730 1.00 0.00 N ATOM 1047 CA VAL A 68 7.876 -3.109 -0.657 1.00 0.00 C ATOM 1048 C VAL A 68 9.055 -2.173 -0.901 1.00 0.00 C ATOM 1049 O VAL A 68 9.264 -1.205 -0.164 1.00 0.00 O ATOM 1050 CB VAL A 68 6.543 -2.436 -1.079 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.224 -1.224 -0.212 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.575 -2.055 -2.551 1.00 0.00 C ATOM 0 H VAL A 68 7.403 -2.872 1.366 1.00 0.00 H new ATOM 0 HA VAL A 68 7.997 -3.999 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 68 5.746 -3.164 -0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.283 -0.780 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.137 -1.534 0.829 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.024 -0.489 -0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.631 -1.585 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.393 -1.357 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.724 -2.950 -3.155 1.00 0.00 H new ATOM 1062 N ALA A 69 9.847 -2.492 -1.911 1.00 0.00 N ATOM 1063 CA ALA A 69 11.009 -1.695 -2.258 1.00 0.00 C ATOM 1064 C ALA A 69 10.802 -1.008 -3.598 1.00 0.00 C ATOM 1065 O ALA A 69 10.651 -1.667 -4.630 1.00 0.00 O ATOM 1066 CB ALA A 69 12.258 -2.564 -2.291 1.00 0.00 C ATOM 0 H ALA A 69 9.703 -3.305 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 69 11.142 -0.928 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 69 13.121 -1.951 -2.553 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.415 -3.012 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.134 -3.352 -3.034 1.00 0.00 H new ATOM 1072 N SER A 70 10.784 0.314 -3.577 1.00 0.00 N ATOM 1073 CA SER A 70 10.597 1.092 -4.788 1.00 0.00 C ATOM 1074 C SER A 70 11.911 1.201 -5.561 1.00 0.00 C ATOM 1075 O SER A 70 12.915 1.673 -5.030 1.00 0.00 O ATOM 1076 CB SER A 70 10.055 2.481 -4.437 1.00 0.00 C ATOM 1077 OG SER A 70 10.823 3.086 -3.409 1.00 0.00 O ATOM 0 H SER A 70 10.897 0.872 -2.731 1.00 0.00 H new ATOM 0 HA SER A 70 9.872 0.587 -5.425 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.067 3.114 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.016 2.399 -4.118 1.00 0.00 H new ATOM 0 HG SER A 70 10.457 3.972 -3.205 1.00 0.00 H new ATOM 1083 N PRO A 71 11.920 0.768 -6.833 1.00 0.00 N ATOM 1084 CA PRO A 71 13.128 0.780 -7.669 1.00 0.00 C ATOM 1085 C PRO A 71 13.522 2.191 -8.103 1.00 0.00 C ATOM 1086 O PRO A 71 14.508 2.382 -8.813 1.00 0.00 O ATOM 1087 CB PRO A 71 12.727 -0.062 -8.881 1.00 0.00 C ATOM 1088 CG PRO A 71 11.248 0.087 -8.973 1.00 0.00 C ATOM 1089 CD PRO A 71 10.755 0.224 -7.557 1.00 0.00 C ATOM 0 HA PRO A 71 13.997 0.396 -7.135 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.218 0.291 -9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 13.012 -1.106 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 71 10.980 0.962 -9.566 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.798 -0.778 -9.461 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.897 0.893 -7.495 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.441 -0.736 -7.147 1.00 0.00 H new ATOM 1097 N LEU A 72 12.740 3.174 -7.674 1.00 0.00 N ATOM 1098 CA LEU A 72 13.001 4.566 -8.004 1.00 0.00 C ATOM 1099 C LEU A 72 14.305 5.031 -7.365 1.00 0.00 C ATOM 1100 O LEU A 72 15.252 5.403 -8.060 1.00 0.00 O ATOM 1101 CB LEU A 72 11.840 5.447 -7.532 1.00 0.00 C ATOM 1102 CG LEU A 72 10.472 5.094 -8.119 1.00 0.00 C ATOM 1103 CD1 LEU A 72 9.396 5.998 -7.538 1.00 0.00 C ATOM 1104 CD2 LEU A 72 10.496 5.199 -9.639 1.00 0.00 C ATOM 0 H LEU A 72 11.914 3.029 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 72 13.094 4.654 -9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.778 5.386 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 72 12.067 6.484 -7.781 1.00 0.00 H new ATOM 0 HG LEU A 72 10.239 4.063 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.429 5.734 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.361 5.872 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.626 7.037 -7.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.514 4.944 -10.037 1.00 0.00 H new ATOM 0 HD22 LEU A 72 10.752 6.218 -9.929 1.00 0.00 H new ATOM 0 HD23 LEU A 72 11.240 4.510 -10.040 1.00 0.00 H new ATOM 1116 N LYS A 73 14.355 4.994 -6.042 1.00 0.00 N ATOM 1117 CA LYS A 73 15.545 5.410 -5.314 1.00 0.00 C ATOM 1118 C LYS A 73 15.909 4.362 -4.269 1.00 0.00 C ATOM 1119 O LYS A 73 16.739 4.601 -3.395 1.00 0.00 O ATOM 1120 CB LYS A 73 15.306 6.763 -4.644 1.00 0.00 C ATOM 1121 CG LYS A 73 16.492 7.705 -4.737 1.00 0.00 C ATOM 1122 CD LYS A 73 16.791 8.071 -6.181 1.00 0.00 C ATOM 1123 CE LYS A 73 17.763 9.233 -6.268 1.00 0.00 C ATOM 1124 NZ LYS A 73 18.067 9.606 -7.674 1.00 0.00 N ATOM 0 H LYS A 73 13.586 4.680 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 73 16.373 5.509 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.439 7.238 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.063 6.601 -3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.287 8.610 -4.165 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.368 7.236 -4.289 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.208 7.207 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.864 8.331 -6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 73 17.344 10.094 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.688 8.970 -5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.734 10.404 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.491 8.793 -8.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.189 9.883 -8.157 1.00 0.00 H new ATOM 1138 N LYS A 74 15.273 3.202 -4.391 1.00 0.00 N ATOM 1139 CA LYS A 74 15.462 2.086 -3.467 1.00 0.00 C ATOM 1140 C LYS A 74 15.032 2.467 -2.051 1.00 0.00 C ATOM 1141 O LYS A 74 15.857 2.585 -1.142 1.00 0.00 O ATOM 1142 CB LYS A 74 16.915 1.594 -3.472 1.00 0.00 C ATOM 1143 CG LYS A 74 17.111 0.277 -2.735 1.00 0.00 C ATOM 1144 CD LYS A 74 18.581 -0.039 -2.531 1.00 0.00 C ATOM 1145 CE LYS A 74 19.258 1.016 -1.670 1.00 0.00 C ATOM 1146 NZ LYS A 74 20.681 0.683 -1.403 1.00 0.00 N ATOM 0 H LYS A 74 14.607 3.007 -5.138 1.00 0.00 H new ATOM 0 HA LYS A 74 14.828 1.268 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.247 1.477 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.550 2.354 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 74 16.611 0.324 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.640 -0.529 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.683 -1.017 -2.060 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.080 -0.098 -3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.199 1.984 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.724 1.111 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 21.107 1.426 -0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 20.737 -0.228 -0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 21.197 0.618 -2.304 1.00 0.00 H new ATOM 1160 N GLN A 75 13.737 2.679 -1.875 1.00 0.00 N ATOM 1161 CA GLN A 75 13.176 2.917 -0.554 1.00 0.00 C ATOM 1162 C GLN A 75 12.334 1.724 -0.141 1.00 0.00 C ATOM 1163 O GLN A 75 11.716 1.076 -0.987 1.00 0.00 O ATOM 1164 CB GLN A 75 12.337 4.195 -0.526 1.00 0.00 C ATOM 1165 CG GLN A 75 12.997 5.349 0.215 1.00 0.00 C ATOM 1166 CD GLN A 75 13.202 5.064 1.698 1.00 0.00 C ATOM 1167 OE1 GLN A 75 13.410 3.922 2.110 1.00 0.00 O ATOM 1168 NE2 GLN A 75 13.142 6.103 2.511 1.00 0.00 N ATOM 0 H GLN A 75 13.053 2.691 -2.632 1.00 0.00 H new ATOM 0 HA GLN A 75 13.996 3.047 0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.130 4.505 -1.550 1.00 0.00 H new ATOM 0 HB3 GLN A 75 11.377 3.978 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.961 5.565 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.384 6.243 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.968 7.035 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.270 5.973 3.515 1.00 0.00 H new ATOM 1177 N ARG A 76 12.303 1.438 1.150 1.00 0.00 N ATOM 1178 CA ARG A 76 11.670 0.225 1.633 1.00 0.00 C ATOM 1179 C ARG A 76 10.606 0.539 2.677 1.00 0.00 C ATOM 1180 O ARG A 76 10.900 1.086 3.744 1.00 0.00 O ATOM 1181 CB ARG A 76 12.727 -0.708 2.215 1.00 0.00 C ATOM 1182 CG ARG A 76 12.295 -2.160 2.269 1.00 0.00 C ATOM 1183 CD ARG A 76 13.435 -3.046 2.732 1.00 0.00 C ATOM 1184 NE ARG A 76 13.153 -4.461 2.517 1.00 0.00 N ATOM 1185 CZ ARG A 76 14.069 -5.342 2.115 1.00 0.00 C ATOM 1186 NH1 ARG A 76 15.307 -4.936 1.848 1.00 0.00 N ATOM 1187 NH2 ARG A 76 13.739 -6.617 1.958 1.00 0.00 N ATOM 0 H ARG A 76 12.707 2.027 1.878 1.00 0.00 H new ATOM 0 HA ARG A 76 11.178 -0.267 0.794 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.636 -0.630 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.978 -0.375 3.222 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.448 -2.267 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 76 11.957 -2.480 1.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.345 -2.773 2.198 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.622 -2.871 3.791 1.00 0.00 H new ATOM 0 HE ARG A 76 12.203 -4.794 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.554 -3.952 1.951 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.009 -5.609 1.540 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.784 -6.923 2.145 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.440 -7.291 1.650 1.00 0.00 H new ATOM 1201 N PHE A 77 9.372 0.186 2.356 1.00 0.00 N ATOM 1202 CA PHE A 77 8.242 0.446 3.233 1.00 0.00 C ATOM 1203 C PHE A 77 7.574 -0.860 3.641 1.00 0.00 C ATOM 1204 O PHE A 77 7.465 -1.791 2.842 1.00 0.00 O ATOM 1205 CB PHE A 77 7.220 1.348 2.534 1.00 0.00 C ATOM 1206 CG PHE A 77 7.745 2.711 2.177 1.00 0.00 C ATOM 1207 CD1 PHE A 77 8.499 2.904 1.028 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.478 3.801 2.989 1.00 0.00 C ATOM 1209 CE1 PHE A 77 8.976 4.159 0.700 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.953 5.057 2.665 1.00 0.00 C ATOM 1211 CZ PHE A 77 8.703 5.237 1.519 1.00 0.00 C ATOM 0 H PHE A 77 9.126 -0.286 1.486 1.00 0.00 H new ATOM 0 HA PHE A 77 8.612 0.951 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.877 0.853 1.625 1.00 0.00 H new ATOM 0 HB3 PHE A 77 6.351 1.464 3.182 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.715 2.065 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.892 3.667 3.886 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.562 4.297 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.738 5.898 3.308 1.00 0.00 H new ATOM 0 HZ PHE A 77 9.075 6.218 1.264 1.00 0.00 H new ATOM 1221 N ARG A 78 7.134 -0.928 4.886 1.00 0.00 N ATOM 1222 CA ARG A 78 6.410 -2.085 5.378 1.00 0.00 C ATOM 1223 C ARG A 78 4.922 -1.868 5.125 1.00 0.00 C ATOM 1224 O ARG A 78 4.238 -1.222 5.916 1.00 0.00 O ATOM 1225 CB ARG A 78 6.695 -2.296 6.871 1.00 0.00 C ATOM 1226 CG ARG A 78 6.222 -3.637 7.415 1.00 0.00 C ATOM 1227 CD ARG A 78 6.756 -3.889 8.820 1.00 0.00 C ATOM 1228 NE ARG A 78 6.260 -2.909 9.788 1.00 0.00 N ATOM 1229 CZ ARG A 78 6.669 -2.831 11.056 1.00 0.00 C ATOM 1230 NH1 ARG A 78 7.646 -3.613 11.503 1.00 0.00 N ATOM 1231 NH2 ARG A 78 6.115 -1.946 11.874 1.00 0.00 N ATOM 0 H ARG A 78 7.267 -0.190 5.577 1.00 0.00 H new ATOM 0 HA ARG A 78 6.736 -2.983 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.768 -2.206 7.040 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.215 -1.498 7.437 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.132 -3.661 7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.550 -4.437 6.751 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.469 -4.890 9.141 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.845 -3.860 8.803 1.00 0.00 H new ATOM 0 HE ARG A 78 5.556 -2.242 9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.092 -4.282 10.875 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.950 -3.544 12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.379 -1.328 11.533 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.425 -1.884 12.844 1.00 0.00 H new ATOM 1245 N LEU A 79 4.435 -2.398 4.006 1.00 0.00 N ATOM 1246 CA LEU A 79 3.090 -2.092 3.515 1.00 0.00 C ATOM 1247 C LEU A 79 1.989 -2.537 4.475 1.00 0.00 C ATOM 1248 O LEU A 79 0.855 -2.065 4.386 1.00 0.00 O ATOM 1249 CB LEU A 79 2.881 -2.703 2.118 1.00 0.00 C ATOM 1250 CG LEU A 79 3.343 -4.160 1.931 1.00 0.00 C ATOM 1251 CD1 LEU A 79 2.417 -5.140 2.637 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.435 -4.495 0.451 1.00 0.00 C ATOM 0 H LEU A 79 4.955 -3.047 3.416 1.00 0.00 H new ATOM 0 HA LEU A 79 3.015 -1.007 3.447 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.820 -2.648 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.406 -2.082 1.392 1.00 0.00 H new ATOM 0 HG LEU A 79 4.330 -4.255 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.777 -6.157 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.400 -4.920 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.410 -5.045 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.763 -5.528 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.456 -4.369 -0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.152 -3.829 -0.029 1.00 0.00 H new ATOM 1264 N SER A 80 2.327 -3.426 5.397 1.00 0.00 N ATOM 1265 CA SER A 80 1.359 -3.944 6.349 1.00 0.00 C ATOM 1266 C SER A 80 0.817 -2.826 7.245 1.00 0.00 C ATOM 1267 O SER A 80 -0.393 -2.602 7.306 1.00 0.00 O ATOM 1268 CB SER A 80 2.002 -5.053 7.186 1.00 0.00 C ATOM 1269 OG SER A 80 1.088 -5.599 8.122 1.00 0.00 O ATOM 0 H SER A 80 3.268 -3.804 5.505 1.00 0.00 H new ATOM 0 HA SER A 80 0.515 -4.361 5.800 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.364 -5.843 6.528 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.869 -4.655 7.713 1.00 0.00 H new ATOM 0 HG SER A 80 0.205 -5.682 7.706 1.00 0.00 H new ATOM 1275 N ASP A 81 1.712 -2.110 7.915 1.00 0.00 N ATOM 1276 CA ASP A 81 1.306 -1.057 8.845 1.00 0.00 C ATOM 1277 C ASP A 81 1.650 0.327 8.306 1.00 0.00 C ATOM 1278 O ASP A 81 1.180 1.337 8.829 1.00 0.00 O ATOM 1279 CB ASP A 81 1.966 -1.264 10.209 1.00 0.00 C ATOM 1280 CG ASP A 81 3.468 -1.088 10.168 1.00 0.00 C ATOM 1281 OD1 ASP A 81 4.103 -1.555 9.198 1.00 0.00 O ATOM 1282 OD2 ASP A 81 4.027 -0.511 11.121 1.00 0.00 O ATOM 0 H ASP A 81 2.721 -2.237 7.834 1.00 0.00 H new ATOM 0 HA ASP A 81 0.224 -1.118 8.958 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.542 -0.558 10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.732 -2.265 10.572 1.00 0.00 H new ATOM 1287 N GLY A 82 2.466 0.376 7.265 1.00 0.00 N ATOM 1288 CA GLY A 82 2.776 1.642 6.626 1.00 0.00 C ATOM 1289 C GLY A 82 4.049 2.269 7.154 1.00 0.00 C ATOM 1290 O GLY A 82 4.312 3.448 6.913 1.00 0.00 O ATOM 0 H GLY A 82 2.920 -0.437 6.849 1.00 0.00 H new ATOM 0 HA2 GLY A 82 2.871 1.488 5.551 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.946 2.333 6.777 1.00 0.00 H new ATOM 1294 N LEU A 83 4.838 1.487 7.872 1.00 0.00 N ATOM 1295 CA LEU A 83 6.087 1.980 8.431 1.00 0.00 C ATOM 1296 C LEU A 83 7.165 2.055 7.357 1.00 0.00 C ATOM 1297 O LEU A 83 7.208 1.226 6.450 1.00 0.00 O ATOM 1298 CB LEU A 83 6.568 1.063 9.554 1.00 0.00 C ATOM 1299 CG LEU A 83 7.793 1.568 10.314 1.00 0.00 C ATOM 1300 CD1 LEU A 83 7.389 2.606 11.347 1.00 0.00 C ATOM 1301 CD2 LEU A 83 8.540 0.417 10.963 1.00 0.00 C ATOM 0 H LEU A 83 4.637 0.509 8.082 1.00 0.00 H new ATOM 0 HA LEU A 83 5.903 2.978 8.828 1.00 0.00 H new ATOM 0 HB2 LEU A 83 5.752 0.921 10.262 1.00 0.00 H new ATOM 0 HB3 LEU A 83 6.798 0.085 9.132 1.00 0.00 H new ATOM 0 HG LEU A 83 8.467 2.042 9.600 1.00 0.00 H new ATOM 0 HD11 LEU A 83 8.275 2.954 11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 83 6.910 3.449 10.848 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.692 2.161 12.057 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.408 0.802 11.498 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.881 -0.096 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 83 8.869 -0.283 10.195 1.00 0.00 H new ATOM 1313 N CYS A 84 8.028 3.050 7.459 1.00 0.00 N ATOM 1314 CA CYS A 84 9.196 3.127 6.603 1.00 0.00 C ATOM 1315 C CYS A 84 10.394 2.623 7.391 1.00 0.00 C ATOM 1316 O CYS A 84 10.461 2.822 8.602 1.00 0.00 O ATOM 1317 CB CYS A 84 9.434 4.559 6.122 1.00 0.00 C ATOM 1318 SG CYS A 84 10.673 4.697 4.810 1.00 0.00 S ATOM 0 H CYS A 84 7.941 3.816 8.127 1.00 0.00 H new ATOM 0 HA CYS A 84 9.042 2.511 5.717 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.492 4.972 5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.747 5.169 6.969 1.00 0.00 H new ATOM 0 HG CYS A 84 11.852 4.841 5.339 1.00 0.00 H new ATOM 1324 N MET A 85 11.322 1.960 6.719 1.00 0.00 N ATOM 1325 CA MET A 85 12.441 1.322 7.406 1.00 0.00 C ATOM 1326 C MET A 85 13.298 2.336 8.169 1.00 0.00 C ATOM 1327 O MET A 85 13.395 2.272 9.395 1.00 0.00 O ATOM 1328 CB MET A 85 13.302 0.537 6.416 1.00 0.00 C ATOM 1329 CG MET A 85 14.253 -0.434 7.094 1.00 0.00 C ATOM 1330 SD MET A 85 15.075 -1.540 5.932 1.00 0.00 S ATOM 1331 CE MET A 85 15.919 -2.640 7.069 1.00 0.00 C ATOM 0 H MET A 85 11.326 1.848 5.705 1.00 0.00 H new ATOM 0 HA MET A 85 12.021 0.631 8.137 1.00 0.00 H new ATOM 0 HB2 MET A 85 12.652 -0.015 5.736 1.00 0.00 H new ATOM 0 HB3 MET A 85 13.877 1.236 5.810 1.00 0.00 H new ATOM 0 HG2 MET A 85 15.006 0.129 7.646 1.00 0.00 H new ATOM 0 HG3 MET A 85 13.700 -1.027 7.823 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.477 -3.388 6.505 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.607 -2.065 7.689 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.187 -3.137 7.705 1.00 0.00 H new ATOM 1341 N GLU A 86 13.908 3.271 7.451 1.00 0.00 N ATOM 1342 CA GLU A 86 14.832 4.223 8.067 1.00 0.00 C ATOM 1343 C GLU A 86 14.131 5.515 8.492 1.00 0.00 C ATOM 1344 O GLU A 86 14.692 6.318 9.236 1.00 0.00 O ATOM 1345 CB GLU A 86 16.015 4.510 7.129 1.00 0.00 C ATOM 1346 CG GLU A 86 15.677 4.468 5.644 1.00 0.00 C ATOM 1347 CD GLU A 86 14.750 5.579 5.208 1.00 0.00 C ATOM 1348 OE1 GLU A 86 13.519 5.378 5.254 1.00 0.00 O ATOM 1349 OE2 GLU A 86 15.247 6.652 4.809 1.00 0.00 O ATOM 0 H GLU A 86 13.782 3.393 6.446 1.00 0.00 H new ATOM 0 HA GLU A 86 15.218 3.764 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.419 5.494 7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 86 16.803 3.784 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.600 4.527 5.067 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.216 3.508 5.411 1.00 0.00 H new ATOM 1356 N ASP A 87 12.905 5.706 8.028 1.00 0.00 N ATOM 1357 CA ASP A 87 12.102 6.868 8.416 1.00 0.00 C ATOM 1358 C ASP A 87 11.135 6.478 9.531 1.00 0.00 C ATOM 1359 O ASP A 87 10.219 7.222 9.864 1.00 0.00 O ATOM 1360 CB ASP A 87 11.345 7.455 7.218 1.00 0.00 C ATOM 1361 CG ASP A 87 10.825 8.858 7.497 1.00 0.00 C ATOM 1362 OD1 ASP A 87 11.621 9.821 7.404 1.00 0.00 O ATOM 1363 OD2 ASP A 87 9.622 9.007 7.811 1.00 0.00 O ATOM 0 H ASP A 87 12.439 5.072 7.380 1.00 0.00 H new ATOM 0 HA ASP A 87 12.775 7.643 8.783 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.005 7.480 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.509 6.803 6.964 1.00 0.00 H new ATOM 1368 N GLU A 88 11.357 5.277 10.073 1.00 0.00 N ATOM 1369 CA GLU A 88 10.529 4.665 11.129 1.00 0.00 C ATOM 1370 C GLU A 88 9.950 5.674 12.131 1.00 0.00 C ATOM 1371 O GLU A 88 8.804 5.533 12.567 1.00 0.00 O ATOM 1372 CB GLU A 88 11.385 3.639 11.881 1.00 0.00 C ATOM 1373 CG GLU A 88 10.670 2.934 13.021 1.00 0.00 C ATOM 1374 CD GLU A 88 11.583 1.995 13.780 1.00 0.00 C ATOM 1375 OE1 GLU A 88 11.782 0.849 13.321 1.00 0.00 O ATOM 1376 OE2 GLU A 88 12.109 2.396 14.840 1.00 0.00 O ATOM 0 H GLU A 88 12.136 4.684 9.786 1.00 0.00 H new ATOM 0 HA GLU A 88 9.674 4.201 10.637 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.738 2.890 11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.267 4.142 12.278 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.265 3.677 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.824 2.373 12.624 1.00 0.00 H new ATOM 1383 N GLN A 89 10.729 6.687 12.487 1.00 0.00 N ATOM 1384 CA GLN A 89 10.306 7.691 13.461 1.00 0.00 C ATOM 1385 C GLN A 89 9.035 8.437 13.029 1.00 0.00 C ATOM 1386 O GLN A 89 8.324 8.984 13.872 1.00 0.00 O ATOM 1387 CB GLN A 89 11.433 8.696 13.736 1.00 0.00 C ATOM 1388 CG GLN A 89 11.981 9.398 12.498 1.00 0.00 C ATOM 1389 CD GLN A 89 13.136 8.658 11.849 1.00 0.00 C ATOM 1390 OE1 GLN A 89 13.223 7.432 11.898 1.00 0.00 O ATOM 1391 NE2 GLN A 89 14.043 9.405 11.244 1.00 0.00 N ATOM 0 H GLN A 89 11.666 6.838 12.113 1.00 0.00 H new ATOM 0 HA GLN A 89 10.072 7.150 14.378 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.066 9.451 14.432 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.251 8.175 14.233 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.178 9.514 11.770 1.00 0.00 H new ATOM 0 HG3 GLN A 89 12.310 10.400 12.773 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.937 10.419 11.224 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.849 8.967 10.797 1.00 0.00 H new ATOM 1400 N PHE A 90 8.748 8.468 11.733 1.00 0.00 N ATOM 1401 CA PHE A 90 7.544 9.132 11.244 1.00 0.00 C ATOM 1402 C PHE A 90 6.787 8.237 10.260 1.00 0.00 C ATOM 1403 O PHE A 90 5.668 7.810 10.546 1.00 0.00 O ATOM 1404 CB PHE A 90 7.898 10.475 10.597 1.00 0.00 C ATOM 1405 CG PHE A 90 6.699 11.328 10.286 1.00 0.00 C ATOM 1406 CD1 PHE A 90 5.972 11.920 11.307 1.00 0.00 C ATOM 1407 CD2 PHE A 90 6.296 11.536 8.976 1.00 0.00 C ATOM 1408 CE1 PHE A 90 4.868 12.702 11.027 1.00 0.00 C ATOM 1409 CE2 PHE A 90 5.192 12.316 8.691 1.00 0.00 C ATOM 1410 CZ PHE A 90 4.478 12.900 9.717 1.00 0.00 C ATOM 0 H PHE A 90 9.326 8.045 11.007 1.00 0.00 H new ATOM 0 HA PHE A 90 6.890 9.322 12.095 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.562 11.026 11.263 1.00 0.00 H new ATOM 0 HB3 PHE A 90 8.451 10.291 9.676 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.272 11.768 12.333 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.852 11.083 8.168 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.310 13.158 11.832 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.888 12.469 7.666 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.615 13.511 9.496 1.00 0.00 H new ATOM 1420 N SER A 91 7.406 7.959 9.109 1.00 0.00 N ATOM 1421 CA SER A 91 6.829 7.078 8.088 1.00 0.00 C ATOM 1422 C SER A 91 5.608 7.704 7.402 1.00 0.00 C ATOM 1423 O SER A 91 5.201 8.822 7.718 1.00 0.00 O ATOM 1424 CB SER A 91 6.467 5.724 8.697 1.00 0.00 C ATOM 1425 OG SER A 91 7.609 5.116 9.276 1.00 0.00 O ATOM 0 H SER A 91 8.320 8.337 8.858 1.00 0.00 H new ATOM 0 HA SER A 91 7.588 6.932 7.319 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.694 5.855 9.455 1.00 0.00 H new ATOM 0 HB3 SER A 91 6.052 5.073 7.928 1.00 0.00 H new ATOM 0 HG SER A 91 7.685 5.389 10.214 1.00 0.00 H new ATOM 1431 N VAL A 92 5.026 6.968 6.459 1.00 0.00 N ATOM 1432 CA VAL A 92 3.928 7.485 5.651 1.00 0.00 C ATOM 1433 C VAL A 92 2.572 7.171 6.279 1.00 0.00 C ATOM 1434 O VAL A 92 2.493 6.551 7.341 1.00 0.00 O ATOM 1435 CB VAL A 92 3.971 6.930 4.210 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.221 7.416 3.491 1.00 0.00 C ATOM 1437 CG2 VAL A 92 3.906 5.408 4.209 1.00 0.00 C ATOM 0 H VAL A 92 5.298 6.010 6.236 1.00 0.00 H new ATOM 0 HA VAL A 92 4.054 8.567 5.613 1.00 0.00 H new ATOM 0 HB VAL A 92 3.097 7.303 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.236 7.016 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.218 8.505 3.451 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.106 7.075 4.029 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.938 5.043 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.755 5.007 4.763 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.979 5.083 4.681 1.00 0.00 H new ATOM 1447 N LYS A 93 1.511 7.589 5.603 1.00 0.00 N ATOM 1448 CA LYS A 93 0.158 7.447 6.121 1.00 0.00 C ATOM 1449 C LYS A 93 -0.453 6.116 5.688 1.00 0.00 C ATOM 1450 O LYS A 93 -0.497 5.798 4.495 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.701 8.620 5.635 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.122 8.629 6.178 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.770 9.995 6.001 1.00 0.00 C ATOM 1454 CE LYS A 93 -2.891 10.375 4.534 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.305 11.790 4.353 1.00 0.00 N ATOM 0 H LYS A 93 1.563 8.033 4.686 1.00 0.00 H new ATOM 0 HA LYS A 93 0.193 7.457 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.212 9.553 5.916 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.742 8.597 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.715 7.873 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.112 8.362 7.235 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.759 9.990 6.458 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -2.181 10.748 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.934 10.212 4.038 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.616 9.721 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.892 11.873 3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.853 12.100 5.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.461 12.389 4.253 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.905 5.338 6.663 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.540 4.052 6.397 1.00 0.00 C ATOM 1471 C HIS A 94 -3.041 4.229 6.225 1.00 0.00 C ATOM 1472 O HIS A 94 -3.680 4.957 6.983 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.267 3.073 7.545 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.762 1.675 7.302 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.947 1.187 7.812 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.200 0.646 6.625 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -3.084 -0.079 7.467 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.037 -0.436 6.745 1.00 0.00 N ATOM 0 H HIS A 94 -0.843 5.577 7.653 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.120 3.647 5.476 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.193 3.038 7.728 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.733 3.457 8.452 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -3.614 1.722 8.369 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.263 0.672 6.088 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.914 -0.717 7.731 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.877 -1.360 6.344 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.597 3.563 5.229 1.00 0.00 N ATOM 1488 CA TYR A 95 -5.031 3.572 5.022 1.00 0.00 C ATOM 1489 C TYR A 95 -5.587 2.202 5.365 1.00 0.00 C ATOM 1490 O TYR A 95 -5.007 1.178 4.998 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.374 3.944 3.578 1.00 0.00 C ATOM 1492 CG TYR A 95 -4.804 5.279 3.142 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -3.499 5.379 2.675 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -5.571 6.435 3.196 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -2.975 6.591 2.273 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -5.054 7.653 2.797 1.00 0.00 C ATOM 1497 CZ TYR A 95 -3.755 7.724 2.335 1.00 0.00 C ATOM 1498 OH TYR A 95 -3.237 8.934 1.932 1.00 0.00 O ATOM 0 H TYR A 95 -3.075 3.009 4.551 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.482 4.323 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.001 3.165 2.913 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.458 3.967 3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -2.884 4.493 2.626 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -6.588 6.382 3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -1.959 6.650 1.912 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.663 8.544 2.846 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.966 9.577 1.809 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.689 2.184 6.084 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.271 0.937 6.550 1.00 0.00 C ATOM 1510 C GLU A 96 -8.013 0.246 5.417 1.00 0.00 C ATOM 1511 O GLU A 96 -8.948 0.807 4.850 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.211 1.211 7.719 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.541 1.956 8.865 1.00 0.00 C ATOM 1514 CD GLU A 96 -6.285 1.263 9.351 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -6.398 0.166 9.932 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.177 1.810 9.156 1.00 0.00 O ATOM 0 H GLU A 96 -7.204 3.020 6.361 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.473 0.276 6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.062 1.793 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.604 0.265 8.090 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.292 2.967 8.541 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.244 2.050 9.693 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.597 -0.964 5.087 1.00 0.00 N ATOM 1524 CA ALA A 97 -8.164 -1.677 3.955 1.00 0.00 C ATOM 1525 C ALA A 97 -8.891 -2.938 4.397 1.00 0.00 C ATOM 1526 O ALA A 97 -8.502 -3.586 5.369 1.00 0.00 O ATOM 1527 CB ALA A 97 -7.070 -2.028 2.958 1.00 0.00 C ATOM 0 H ALA A 97 -6.868 -1.474 5.587 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.892 -1.021 3.478 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.505 -2.562 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.594 -1.114 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.326 -2.660 3.442 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.958 -3.268 3.682 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.677 -4.515 3.901 1.00 0.00 C ATOM 1535 C ARG A 98 -11.307 -4.977 2.595 1.00 0.00 C ATOM 1536 O ARG A 98 -11.544 -4.166 1.695 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.772 -4.356 4.963 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.963 -3.529 4.500 1.00 0.00 C ATOM 1539 CD ARG A 98 -14.123 -3.630 5.477 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.298 -2.896 5.011 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.548 -3.159 5.396 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.808 -4.198 6.183 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.541 -2.395 4.959 1.00 0.00 N ATOM 0 H ARG A 98 -10.346 -2.685 2.941 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.961 -5.256 4.258 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -12.122 -5.344 5.261 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.341 -3.890 5.849 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.664 -2.486 4.394 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.284 -3.870 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -14.384 -4.678 5.622 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.814 -3.241 6.447 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.153 -2.134 4.349 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.049 -4.802 6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -17.767 -4.391 6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.346 -1.613 4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.500 -2.589 5.249 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.570 -6.270 2.489 1.00 0.00 N ATOM 1558 CA VAL A 99 -12.233 -6.812 1.316 1.00 0.00 C ATOM 1559 C VAL A 99 -13.691 -7.132 1.634 1.00 0.00 C ATOM 1560 O VAL A 99 -14.000 -8.159 2.241 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.512 -8.071 0.788 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -12.218 -8.628 -0.438 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -10.063 -7.746 0.468 1.00 0.00 C ATOM 0 H VAL A 99 -11.334 -6.962 3.201 1.00 0.00 H new ATOM 0 HA VAL A 99 -12.196 -6.055 0.533 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.538 -8.835 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.690 -9.514 -0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.242 -8.895 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -12.228 -7.875 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.563 -8.640 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.024 -6.966 -0.293 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.560 -7.398 1.370 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.573 -6.230 1.234 1.00 0.00 N ATOM 1574 CA LYS A 100 -16.000 -6.360 1.501 1.00 0.00 C ATOM 1575 C LYS A 100 -16.703 -7.025 0.327 1.00 0.00 C ATOM 1576 O LYS A 100 -16.885 -6.402 -0.719 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.609 -4.977 1.738 1.00 0.00 C ATOM 1578 CG LYS A 100 -18.095 -5.001 2.061 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.693 -3.609 1.978 1.00 0.00 C ATOM 1580 CE LYS A 100 -20.167 -3.598 2.345 1.00 0.00 C ATOM 1581 NZ LYS A 100 -20.769 -2.259 2.119 1.00 0.00 N ATOM 0 H LYS A 100 -14.322 -5.388 0.716 1.00 0.00 H new ATOM 0 HA LYS A 100 -16.132 -6.978 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.078 -4.493 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.451 -4.365 0.850 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.611 -5.664 1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -18.247 -5.407 3.061 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.149 -2.941 2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.569 -3.221 0.967 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.697 -4.343 1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -20.286 -3.881 3.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -21.776 -2.283 2.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -20.277 -1.554 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -20.676 -2.001 1.116 1.00 0.00 H new ATOM 1595 N ASP A 101 -17.066 -8.295 0.497 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.799 -9.052 -0.526 1.00 0.00 C ATOM 1597 C ASP A 101 -16.961 -9.199 -1.802 1.00 0.00 C ATOM 1598 O ASP A 101 -17.443 -9.653 -2.841 1.00 0.00 O ATOM 1599 CB ASP A 101 -19.144 -8.365 -0.821 1.00 0.00 C ATOM 1600 CG ASP A 101 -20.041 -9.164 -1.747 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -20.537 -10.231 -1.330 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -20.263 -8.725 -2.896 1.00 0.00 O ATOM 0 H ASP A 101 -16.863 -8.829 1.342 1.00 0.00 H new ATOM 0 HA ASP A 101 -17.998 -10.055 -0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.668 -8.191 0.119 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -18.954 -7.388 -1.266 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.686 -8.845 -1.701 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.806 -8.900 -2.846 1.00 0.00 C ATOM 1609 C GLY A 102 -14.368 -7.523 -3.303 1.00 0.00 C ATOM 1610 O GLY A 102 -13.552 -7.400 -4.215 1.00 0.00 O ATOM 0 H GLY A 102 -15.246 -8.519 -0.840 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.927 -9.494 -2.597 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -15.313 -9.408 -3.666 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.901 -6.484 -2.673 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.563 -5.114 -3.037 1.00 0.00 C ATOM 1616 C VAL A 103 -13.568 -4.521 -2.039 1.00 0.00 C ATOM 1617 O VAL A 103 -13.768 -4.612 -0.827 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.824 -4.222 -3.092 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.470 -2.803 -3.513 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.861 -4.816 -4.036 1.00 0.00 C ATOM 0 H VAL A 103 -15.570 -6.564 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.109 -5.142 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.252 -4.182 -2.090 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.375 -2.196 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.770 -2.375 -2.796 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.011 -2.821 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.741 -4.173 -4.061 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.439 -4.892 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.146 -5.808 -3.686 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.500 -3.925 -2.551 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.488 -3.303 -1.705 1.00 0.00 C ATOM 1632 C VAL A 104 -11.991 -1.961 -1.184 1.00 0.00 C ATOM 1633 O VAL A 104 -12.274 -1.052 -1.967 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.165 -3.065 -2.471 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.080 -2.566 -1.526 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.714 -4.331 -3.187 1.00 0.00 C ATOM 0 H VAL A 104 -12.311 -3.858 -3.551 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.298 -3.987 -0.878 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.344 -2.298 -3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.158 -2.405 -2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.397 -1.628 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.907 -3.308 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.782 -4.137 -3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.557 -5.125 -2.457 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.480 -4.639 -3.899 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.115 -1.840 0.128 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.528 -0.582 0.731 1.00 0.00 C ATOM 1648 C GLN A 105 -11.404 0.010 1.563 1.00 0.00 C ATOM 1649 O GLN A 105 -10.760 -0.692 2.343 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.772 -0.764 1.594 1.00 0.00 C ATOM 1651 CG GLN A 105 -15.022 -1.076 0.795 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.281 -0.933 1.622 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.274 -1.154 2.834 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.370 -0.555 0.975 1.00 0.00 N ATOM 0 H GLN A 105 -11.937 -2.593 0.793 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.769 0.106 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.595 -1.570 2.307 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.938 0.144 2.174 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.077 -0.409 -0.065 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.958 -2.092 0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.332 -0.382 -0.030 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.248 -0.436 1.480 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.173 1.302 1.384 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.117 2.004 2.093 1.00 0.00 C ATOM 1665 C LEU A 106 -10.700 3.096 2.984 1.00 0.00 C ATOM 1666 O LEU A 106 -11.373 4.006 2.501 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.143 2.638 1.096 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.601 1.706 0.013 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.732 2.486 -0.957 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.819 0.561 0.631 1.00 0.00 C ATOM 0 H LEU A 106 -11.710 1.890 0.746 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.588 1.281 2.714 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -9.643 3.476 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.300 3.048 1.651 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.443 1.282 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.350 1.813 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.324 3.272 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.896 2.933 -0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.442 -0.090 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.981 0.960 1.203 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.471 -0.010 1.292 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.452 2.990 4.277 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.829 4.032 5.218 1.00 0.00 C ATOM 1684 C ARG A 107 -9.684 5.015 5.395 1.00 0.00 C ATOM 1685 O ARG A 107 -8.594 4.651 5.849 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.233 3.432 6.574 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.255 4.443 7.713 1.00 0.00 C ATOM 1688 CD ARG A 107 -11.839 3.856 8.990 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.084 2.703 9.488 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.153 2.265 10.749 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -11.868 2.929 11.650 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.497 1.173 11.121 1.00 0.00 N ATOM 0 H ARG A 107 -9.988 2.188 4.703 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.692 4.561 4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.221 2.982 6.481 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.540 2.630 6.826 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.241 4.793 7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -11.840 5.313 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -11.863 4.627 9.760 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -12.871 3.556 8.807 1.00 0.00 H new ATOM 0 HE ARG A 107 -10.473 2.208 8.838 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.367 3.777 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.918 2.591 12.611 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.934 0.660 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -10.556 0.847 12.086 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.939 6.254 5.013 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.957 7.303 5.150 1.00 0.00 C ATOM 1708 C GLY A 108 -9.356 8.535 4.372 1.00 0.00 C ATOM 1709 O GLY A 108 -10.434 8.572 3.774 1.00 0.00 O ATOM 0 H GLY A 108 -10.824 6.554 4.604 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.839 7.558 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -7.989 6.946 4.798 1.00 0.00 H new ATOM 1713 N GLY A 109 -8.506 9.549 4.387 1.00 0.00 N ATOM 1714 CA GLY A 109 -8.778 10.753 3.631 1.00 0.00 C ATOM 1715 C GLY A 109 -8.505 11.996 4.440 1.00 0.00 C ATOM 1716 O GLY A 109 -7.689 12.834 4.056 1.00 0.00 O ATOM 0 H GLY A 109 -7.631 9.560 4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.164 10.763 2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.819 10.751 3.307 1.00 0.00 H new ATOM 1720 N SER A 110 -9.179 12.111 5.569 1.00 0.00 N ATOM 1721 CA SER A 110 -8.969 13.225 6.469 1.00 0.00 C ATOM 1722 C SER A 110 -8.288 12.728 7.740 1.00 0.00 C ATOM 1723 O SER A 110 -8.950 12.656 8.794 1.00 0.00 O ATOM 1724 CB SER A 110 -10.306 13.900 6.793 1.00 0.00 C ATOM 1725 OG SER A 110 -10.953 14.338 5.606 1.00 0.00 O ATOM 1726 OXT SER A 110 -7.095 12.367 7.666 1.00 0.00 O ATOM 0 H SER A 110 -9.880 11.441 5.884 1.00 0.00 H new ATOM 0 HA SER A 110 -8.325 13.964 5.992 1.00 0.00 H new ATOM 0 HB2 SER A 110 -10.951 13.202 7.327 1.00 0.00 H new ATOM 0 HB3 SER A 110 -10.138 14.749 7.455 1.00 0.00 H new ATOM 0 HG SER A 110 -11.805 14.764 5.836 1.00 0.00 H new TER 1732 SER A 110