USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 838 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 40 CYS SG : rot 180:sc= -0.0319 USER MOD Set 1.2: A 43 TYR OH : rot -64:sc= 1.02 USER MOD Set 2.1: A 25 THR OG1 : rot -54:sc= 0.109 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.46 K(o=0.57,f=0.011) USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 47 SER OG : rot -160:sc= -0.608 USER MOD Single : A 1 ALA N :NH3+ -115:sc= 0.0533 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0453 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 17 GLN : amide:sc= -0.885 K(o=-0.89,f=-3!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.32) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= 0.0148 (180deg=0.00766) USER MOD Single : A 39 LYS NZ :NH3+ -165:sc=-0.00262 (180deg=-0.0621) USER MOD Single : A 41 SER OG : rot -145:sc= 0.713 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.829 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.9) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 93:sc= 1.29 USER MOD Single : A 75 ASN : amide:sc= -0.607 K(o=-0.61,f=-1.5!) USER MOD Single : A 76 MET CE :methyl -152:sc= -2.24 (180deg=-3.52!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.321 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 98 ASN :FLIP amide:sc= -0.379 F(o=-2.4,f=-0.38) USER MOD Single : A 100 SER OG : rot 180:sc= 0.206 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl -120:sc= -2.24 (180deg=-7.78!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0.342 USER MOD Single : A 105 CYS SG : rot 180:sc= -2.3! USER MOD Single : A 106 SER OG : rot 150:sc= 0.00913 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 15.248 12.088 -8.356 1.00 0.00 N ATOM 2 CA ALA A 1 14.449 10.895 -8.604 1.00 0.00 C ATOM 3 C ALA A 1 14.949 9.717 -7.773 1.00 0.00 C ATOM 4 O ALA A 1 16.083 9.701 -7.295 1.00 0.00 O ATOM 5 CB ALA A 1 14.469 10.544 -10.084 1.00 0.00 C ATOM 0 H1 ALA A 1 14.656 12.815 -7.907 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.041 11.850 -7.726 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.619 12.451 -9.257 1.00 0.00 H new ATOM 0 HA ALA A 1 13.422 11.107 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.868 9.651 -10.254 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.058 11.373 -10.660 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.495 10.356 -10.400 1.00 0.00 H new ATOM 11 N PRO A 2 14.084 8.708 -7.596 1.00 0.00 N ATOM 12 CA PRO A 2 14.415 7.508 -6.822 1.00 0.00 C ATOM 13 C PRO A 2 15.445 6.631 -7.526 1.00 0.00 C ATOM 14 O PRO A 2 15.114 5.568 -8.051 1.00 0.00 O ATOM 15 CB PRO A 2 13.075 6.775 -6.712 1.00 0.00 C ATOM 16 CG PRO A 2 12.293 7.238 -7.892 1.00 0.00 C ATOM 17 CD PRO A 2 12.715 8.660 -8.138 1.00 0.00 C ATOM 0 HA PRO A 2 14.862 7.755 -5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.213 5.694 -6.728 1.00 0.00 H new ATOM 0 HB3 PRO A 2 12.566 7.018 -5.779 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.496 6.615 -8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.222 7.177 -7.699 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.694 8.908 -9.199 1.00 0.00 H new ATOM 0 HD3 PRO A 2 12.058 9.367 -7.633 1.00 0.00 H new ATOM 25 N ILE A 3 16.695 7.083 -7.531 1.00 0.00 N ATOM 26 CA ILE A 3 17.773 6.338 -8.169 1.00 0.00 C ATOM 27 C ILE A 3 18.361 5.299 -7.219 1.00 0.00 C ATOM 28 O ILE A 3 18.454 5.528 -6.013 1.00 0.00 O ATOM 29 CB ILE A 3 18.898 7.274 -8.647 1.00 0.00 C ATOM 30 CG1 ILE A 3 18.316 8.434 -9.458 1.00 0.00 C ATOM 31 CG2 ILE A 3 19.915 6.501 -9.474 1.00 0.00 C ATOM 32 CD1 ILE A 3 19.352 9.446 -9.895 1.00 0.00 C ATOM 0 H ILE A 3 16.986 7.961 -7.101 1.00 0.00 H new ATOM 0 HA ILE A 3 17.339 5.834 -9.033 1.00 0.00 H new ATOM 0 HB ILE A 3 19.405 7.684 -7.773 1.00 0.00 H new ATOM 0 HG12 ILE A 3 17.815 8.035 -10.340 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.556 8.939 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 3 20.704 7.176 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 3 20.349 5.706 -8.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 19.422 6.066 -10.343 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.868 10.239 -10.465 1.00 0.00 H new ATOM 0 HD12 ILE A 3 19.836 9.873 -9.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.099 8.955 -10.519 1.00 0.00 H new ATOM 44 N LYS A 4 18.757 4.158 -7.771 1.00 0.00 N ATOM 45 CA LYS A 4 19.339 3.084 -6.975 1.00 0.00 C ATOM 46 C LYS A 4 20.843 3.281 -6.811 1.00 0.00 C ATOM 47 O LYS A 4 21.522 3.738 -7.730 1.00 0.00 O ATOM 48 CB LYS A 4 19.060 1.728 -7.628 1.00 0.00 C ATOM 49 CG LYS A 4 19.630 1.600 -9.030 1.00 0.00 C ATOM 50 CD LYS A 4 20.091 0.181 -9.317 1.00 0.00 C ATOM 51 CE LYS A 4 18.911 -0.761 -9.504 1.00 0.00 C ATOM 52 NZ LYS A 4 19.303 -2.005 -10.223 1.00 0.00 N ATOM 0 H LYS A 4 18.686 3.953 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 4 18.878 3.107 -5.988 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.477 0.940 -7.002 1.00 0.00 H new ATOM 0 HB3 LYS A 4 17.983 1.567 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 4 18.874 1.892 -9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 4 20.468 2.287 -9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.710 0.173 -10.214 1.00 0.00 H new ATOM 0 HD3 LYS A 4 20.714 -0.173 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.495 -1.020 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS A 4 18.125 -0.252 -10.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.472 -2.620 -10.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 19.676 -1.760 -11.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 20.035 -2.504 -9.679 1.00 0.00 H new ATOM 66 N GLY A 5 21.356 2.933 -5.635 1.00 0.00 N ATOM 67 CA GLY A 5 22.776 3.079 -5.374 1.00 0.00 C ATOM 68 C GLY A 5 23.217 4.529 -5.358 1.00 0.00 C ATOM 69 O GLY A 5 23.208 5.177 -4.311 1.00 0.00 O ATOM 0 H GLY A 5 20.814 2.553 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.015 2.619 -4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.339 2.540 -6.135 1.00 0.00 H new ATOM 73 N VAL A 6 23.607 5.040 -6.522 1.00 0.00 N ATOM 74 CA VAL A 6 24.054 6.423 -6.638 1.00 0.00 C ATOM 75 C VAL A 6 24.167 6.843 -8.099 1.00 0.00 C ATOM 76 O VAL A 6 24.954 7.725 -8.444 1.00 0.00 O ATOM 77 CB VAL A 6 25.415 6.632 -5.948 1.00 0.00 C ATOM 78 CG1 VAL A 6 26.534 6.023 -6.779 1.00 0.00 C ATOM 79 CG2 VAL A 6 25.667 8.113 -5.704 1.00 0.00 C ATOM 0 H VAL A 6 23.622 4.517 -7.398 1.00 0.00 H new ATOM 0 HA VAL A 6 23.305 7.041 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 6 25.395 6.126 -4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.488 6.180 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 6 26.358 4.954 -6.898 1.00 0.00 H new ATOM 0 HG13 VAL A 6 26.559 6.498 -7.760 1.00 0.00 H new ATOM 0 HG21 VAL A 6 26.633 8.242 -5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 6 25.668 8.644 -6.656 1.00 0.00 H new ATOM 0 HG23 VAL A 6 24.881 8.515 -5.065 1.00 0.00 H new ATOM 89 N THR A 7 23.375 6.206 -8.955 1.00 0.00 N ATOM 90 CA THR A 7 23.386 6.513 -10.380 1.00 0.00 C ATOM 91 C THR A 7 22.722 7.856 -10.658 1.00 0.00 C ATOM 92 O THR A 7 22.058 8.424 -9.790 1.00 0.00 O ATOM 93 CB THR A 7 22.669 5.420 -11.195 1.00 0.00 C ATOM 94 OG1 THR A 7 22.594 4.210 -10.433 1.00 0.00 O ATOM 95 CG2 THR A 7 23.397 5.157 -12.505 1.00 0.00 C ATOM 0 H THR A 7 22.717 5.474 -8.686 1.00 0.00 H new ATOM 0 HA THR A 7 24.431 6.558 -10.686 1.00 0.00 H new ATOM 0 HB THR A 7 21.661 5.769 -11.421 1.00 0.00 H new ATOM 0 HG1 THR A 7 22.135 3.521 -10.958 1.00 0.00 H new ATOM 0 HG21 THR A 7 22.872 4.382 -13.063 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.426 6.073 -13.095 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.415 4.828 -12.296 1.00 0.00 H new ATOM 103 N PHE A 8 22.904 8.361 -11.874 1.00 0.00 N ATOM 104 CA PHE A 8 22.322 9.639 -12.267 1.00 0.00 C ATOM 105 C PHE A 8 22.568 9.916 -13.747 1.00 0.00 C ATOM 106 O PHE A 8 23.679 9.747 -14.246 1.00 0.00 O ATOM 107 CB PHE A 8 22.908 10.771 -11.420 1.00 0.00 C ATOM 108 CG PHE A 8 24.331 11.104 -11.766 1.00 0.00 C ATOM 109 CD1 PHE A 8 25.376 10.352 -11.254 1.00 0.00 C ATOM 110 CD2 PHE A 8 24.624 12.169 -12.603 1.00 0.00 C ATOM 111 CE1 PHE A 8 26.687 10.655 -11.571 1.00 0.00 C ATOM 112 CE2 PHE A 8 25.932 12.477 -12.923 1.00 0.00 C ATOM 113 CZ PHE A 8 26.965 11.720 -12.405 1.00 0.00 C ATOM 0 H PHE A 8 23.450 7.904 -12.604 1.00 0.00 H new ATOM 0 HA PHE A 8 21.246 9.588 -12.099 1.00 0.00 H new ATOM 0 HB2 PHE A 8 22.294 11.663 -11.545 1.00 0.00 H new ATOM 0 HB3 PHE A 8 22.854 10.492 -10.368 1.00 0.00 H new ATOM 0 HD1 PHE A 8 25.164 9.519 -10.600 1.00 0.00 H new ATOM 0 HD2 PHE A 8 23.820 12.765 -13.010 1.00 0.00 H new ATOM 0 HE1 PHE A 8 27.493 10.060 -11.167 1.00 0.00 H new ATOM 0 HE2 PHE A 8 26.147 13.309 -13.577 1.00 0.00 H new ATOM 0 HZ PHE A 8 27.988 11.961 -12.652 1.00 0.00 H new ATOM 123 N GLY A 9 21.519 10.344 -14.445 1.00 0.00 N ATOM 124 CA GLY A 9 21.641 10.637 -15.861 1.00 0.00 C ATOM 125 C GLY A 9 22.261 9.494 -16.639 1.00 0.00 C ATOM 126 O GLY A 9 23.442 9.537 -16.982 1.00 0.00 O ATOM 0 H GLY A 9 20.588 10.493 -14.055 1.00 0.00 H new ATOM 0 HA2 GLY A 9 20.655 10.857 -16.269 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.248 11.533 -15.992 1.00 0.00 H new ATOM 130 N GLU A 10 21.463 8.467 -16.916 1.00 0.00 N ATOM 131 CA GLU A 10 21.943 7.306 -17.657 1.00 0.00 C ATOM 132 C GLU A 10 21.327 7.258 -19.052 1.00 0.00 C ATOM 133 O GLU A 10 22.039 7.220 -20.055 1.00 0.00 O ATOM 134 CB GLU A 10 21.615 6.018 -16.898 1.00 0.00 C ATOM 135 CG GLU A 10 22.727 5.560 -15.968 1.00 0.00 C ATOM 136 CD GLU A 10 23.889 4.932 -16.714 1.00 0.00 C ATOM 137 OE1 GLU A 10 23.641 4.247 -17.728 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.044 5.126 -16.283 1.00 0.00 O ATOM 0 H GLU A 10 20.483 8.415 -16.639 1.00 0.00 H new ATOM 0 HA GLU A 10 23.025 7.394 -17.759 1.00 0.00 H new ATOM 0 HB2 GLU A 10 20.706 6.170 -16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.405 5.226 -17.617 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.088 6.412 -15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.326 4.840 -15.255 1.00 0.00 H new ATOM 145 N ASP A 11 19.999 7.259 -19.106 1.00 0.00 N ATOM 146 CA ASP A 11 19.286 7.216 -20.377 1.00 0.00 C ATOM 147 C ASP A 11 17.847 7.693 -20.209 1.00 0.00 C ATOM 148 O ASP A 11 17.354 8.504 -20.995 1.00 0.00 O ATOM 149 CB ASP A 11 19.302 5.796 -20.947 1.00 0.00 C ATOM 150 CG ASP A 11 19.428 5.781 -22.458 1.00 0.00 C ATOM 151 OD1 ASP A 11 20.525 6.098 -22.965 1.00 0.00 O ATOM 152 OD2 ASP A 11 18.431 5.452 -23.134 1.00 0.00 O ATOM 0 H ASP A 11 19.395 7.289 -18.284 1.00 0.00 H new ATOM 0 HA ASP A 11 19.793 7.885 -21.073 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.133 5.242 -20.510 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.387 5.280 -20.656 1.00 0.00 H new ATOM 157 N THR A 12 17.176 7.185 -19.180 1.00 0.00 N ATOM 158 CA THR A 12 15.793 7.558 -18.911 1.00 0.00 C ATOM 159 C THR A 12 15.339 7.037 -17.552 1.00 0.00 C ATOM 160 O THR A 12 15.979 6.166 -16.964 1.00 0.00 O ATOM 161 CB THR A 12 14.844 7.019 -19.997 1.00 0.00 C ATOM 162 OG1 THR A 12 13.497 7.408 -19.708 1.00 0.00 O ATOM 163 CG2 THR A 12 14.931 5.503 -20.089 1.00 0.00 C ATOM 0 H THR A 12 17.568 6.514 -18.519 1.00 0.00 H new ATOM 0 HA THR A 12 15.753 8.647 -18.913 1.00 0.00 H new ATOM 0 HB THR A 12 15.146 7.443 -20.955 1.00 0.00 H new ATOM 0 HG1 THR A 12 12.900 7.063 -20.404 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.252 5.146 -20.863 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.951 5.212 -20.339 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.653 5.064 -19.131 1.00 0.00 H new ATOM 171 N VAL A 13 14.229 7.577 -17.058 1.00 0.00 N ATOM 172 CA VAL A 13 13.687 7.165 -15.768 1.00 0.00 C ATOM 173 C VAL A 13 12.711 6.005 -15.927 1.00 0.00 C ATOM 174 O VAL A 13 12.239 5.724 -17.028 1.00 0.00 O ATOM 175 CB VAL A 13 12.970 8.332 -15.062 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.900 8.086 -13.563 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.672 9.648 -15.363 1.00 0.00 C ATOM 0 H VAL A 13 13.688 8.300 -17.531 1.00 0.00 H new ATOM 0 HA VAL A 13 14.531 6.844 -15.158 1.00 0.00 H new ATOM 0 HB VAL A 13 11.951 8.395 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.390 8.920 -13.081 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.350 7.165 -13.371 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.909 7.996 -13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.153 10.462 -14.857 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.702 9.600 -15.010 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.665 9.827 -16.438 1.00 0.00 H new ATOM 187 N TRP A 14 12.414 5.334 -14.820 1.00 0.00 N ATOM 188 CA TRP A 14 11.493 4.203 -14.836 1.00 0.00 C ATOM 189 C TRP A 14 12.038 3.069 -15.698 1.00 0.00 C ATOM 190 O TRP A 14 11.301 2.165 -16.087 1.00 0.00 O ATOM 191 CB TRP A 14 10.123 4.642 -15.356 1.00 0.00 C ATOM 192 CG TRP A 14 9.203 5.121 -14.275 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.322 6.271 -13.547 1.00 0.00 C ATOM 194 CD2 TRP A 14 8.025 4.463 -13.798 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.289 6.367 -12.647 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.479 5.271 -12.781 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.376 3.271 -14.132 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.317 4.923 -12.097 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.224 2.927 -13.452 1.00 0.00 C ATOM 200 CH2 TRP A 14 5.703 3.750 -12.444 1.00 0.00 C ATOM 0 H TRP A 14 12.797 5.553 -13.900 1.00 0.00 H new ATOM 0 HA TRP A 14 11.387 3.839 -13.814 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.258 5.439 -16.087 1.00 0.00 H new ATOM 0 HB3 TRP A 14 9.656 3.807 -15.877 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.112 6.998 -13.662 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.148 7.131 -11.986 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.768 2.630 -14.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.915 5.556 -11.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.716 2.007 -13.701 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.800 3.453 -11.931 1.00 0.00 H new ATOM 211 N GLU A 15 13.334 3.125 -15.991 1.00 0.00 N ATOM 212 CA GLU A 15 13.976 2.102 -16.807 1.00 0.00 C ATOM 213 C GLU A 15 15.309 1.677 -16.198 1.00 0.00 C ATOM 214 O GLU A 15 15.646 0.493 -16.178 1.00 0.00 O ATOM 215 CB GLU A 15 14.195 2.617 -18.231 1.00 0.00 C ATOM 216 CG GLU A 15 13.115 2.182 -19.208 1.00 0.00 C ATOM 217 CD GLU A 15 13.511 0.955 -20.007 1.00 0.00 C ATOM 218 OE1 GLU A 15 14.343 0.167 -19.511 1.00 0.00 O ATOM 219 OE2 GLU A 15 12.987 0.783 -21.128 1.00 0.00 O ATOM 0 H GLU A 15 13.959 3.867 -15.676 1.00 0.00 H new ATOM 0 HA GLU A 15 13.318 1.234 -16.839 1.00 0.00 H new ATOM 0 HB2 GLU A 15 14.239 3.706 -18.212 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.162 2.265 -18.591 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.197 1.973 -18.659 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.898 3.002 -19.892 1.00 0.00 H new ATOM 226 N VAL A 16 16.064 2.652 -15.703 1.00 0.00 N ATOM 227 CA VAL A 16 17.360 2.381 -15.092 1.00 0.00 C ATOM 228 C VAL A 16 17.300 2.546 -13.578 1.00 0.00 C ATOM 229 O VAL A 16 17.955 1.813 -12.838 1.00 0.00 O ATOM 230 CB VAL A 16 18.452 3.310 -15.656 1.00 0.00 C ATOM 231 CG1 VAL A 16 19.828 2.687 -15.477 1.00 0.00 C ATOM 232 CG2 VAL A 16 18.183 3.618 -17.122 1.00 0.00 C ATOM 0 H VAL A 16 15.801 3.637 -15.713 1.00 0.00 H new ATOM 0 HA VAL A 16 17.613 1.348 -15.332 1.00 0.00 H new ATOM 0 HB VAL A 16 18.430 4.248 -15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.586 3.357 -15.881 1.00 0.00 H new ATOM 0 HG12 VAL A 16 20.018 2.522 -14.416 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.867 1.734 -16.005 1.00 0.00 H new ATOM 0 HG21 VAL A 16 18.964 4.275 -17.505 1.00 0.00 H new ATOM 0 HG22 VAL A 16 18.177 2.690 -17.694 1.00 0.00 H new ATOM 0 HG23 VAL A 16 17.215 4.110 -17.219 1.00 0.00 H new ATOM 242 N GLN A 17 16.510 3.514 -13.125 1.00 0.00 N ATOM 243 CA GLN A 17 16.364 3.775 -11.698 1.00 0.00 C ATOM 244 C GLN A 17 16.012 2.498 -10.944 1.00 0.00 C ATOM 245 O GLN A 17 16.361 2.339 -9.774 1.00 0.00 O ATOM 246 CB GLN A 17 15.287 4.835 -11.459 1.00 0.00 C ATOM 247 CG GLN A 17 13.889 4.259 -11.310 1.00 0.00 C ATOM 248 CD GLN A 17 12.815 5.329 -11.296 1.00 0.00 C ATOM 249 OE1 GLN A 17 13.081 6.488 -10.977 1.00 0.00 O ATOM 250 NE2 GLN A 17 11.592 4.945 -11.643 1.00 0.00 N ATOM 0 H GLN A 17 15.962 4.130 -13.725 1.00 0.00 H new ATOM 0 HA GLN A 17 17.318 4.145 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.537 5.398 -10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 17 15.293 5.541 -12.289 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.696 3.567 -12.130 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.834 3.683 -10.386 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.416 3.974 -11.900 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.828 5.621 -11.652 1.00 0.00 H new ATOM 259 N GLY A 18 15.318 1.588 -11.621 1.00 0.00 N ATOM 260 CA GLY A 18 14.930 0.336 -10.998 1.00 0.00 C ATOM 261 C GLY A 18 13.892 0.526 -9.911 1.00 0.00 C ATOM 262 O GLY A 18 13.953 -0.119 -8.864 1.00 0.00 O ATOM 0 H GLY A 18 15.018 1.696 -12.590 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.536 -0.338 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 18 15.812 -0.144 -10.574 1.00 0.00 H new ATOM 266 N TYR A 19 12.936 1.416 -10.157 1.00 0.00 N ATOM 267 CA TYR A 19 11.882 1.693 -9.189 1.00 0.00 C ATOM 268 C TYR A 19 10.622 2.199 -9.885 1.00 0.00 C ATOM 269 O TYR A 19 10.619 2.436 -11.093 1.00 0.00 O ATOM 270 CB TYR A 19 12.360 2.722 -8.163 1.00 0.00 C ATOM 271 CG TYR A 19 13.373 2.174 -7.182 1.00 0.00 C ATOM 272 CD1 TYR A 19 12.997 1.266 -6.200 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.705 2.564 -7.239 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.918 0.764 -5.301 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.634 2.066 -6.346 1.00 0.00 C ATOM 276 CZ TYR A 19 15.235 1.167 -5.378 1.00 0.00 C ATOM 277 OH TYR A 19 16.156 0.668 -4.486 1.00 0.00 O ATOM 0 H TYR A 19 12.870 1.958 -11.019 1.00 0.00 H new ATOM 0 HA TYR A 19 11.642 0.762 -8.675 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.798 3.570 -8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.499 3.099 -7.611 1.00 0.00 H new ATOM 0 HD1 TYR A 19 11.967 0.947 -6.138 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.020 3.269 -7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.609 0.060 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.666 2.378 -6.405 1.00 0.00 H new ATOM 0 HH TYR A 19 17.037 1.051 -4.677 1.00 0.00 H new ATOM 287 N LYS A 20 9.553 2.363 -9.113 1.00 0.00 N ATOM 288 CA LYS A 20 8.286 2.843 -9.652 1.00 0.00 C ATOM 289 C LYS A 20 7.491 3.591 -8.587 1.00 0.00 C ATOM 290 O LYS A 20 7.969 3.797 -7.472 1.00 0.00 O ATOM 291 CB LYS A 20 7.461 1.672 -10.191 1.00 0.00 C ATOM 292 CG LYS A 20 7.981 1.117 -11.505 1.00 0.00 C ATOM 293 CD LYS A 20 8.956 -0.027 -11.282 1.00 0.00 C ATOM 294 CE LYS A 20 8.582 -1.248 -12.108 1.00 0.00 C ATOM 295 NZ LYS A 20 9.342 -1.305 -13.387 1.00 0.00 N ATOM 0 H LYS A 20 9.539 2.170 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 20 8.504 3.532 -10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.449 0.874 -9.448 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.429 1.997 -10.326 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.144 0.770 -12.111 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.473 1.911 -12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.963 0.296 -11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.971 -0.292 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.776 -2.151 -11.530 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.513 -1.229 -12.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.059 -2.151 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.138 -0.455 -13.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.361 -1.349 -13.184 1.00 0.00 H new ATOM 309 N ASN A 21 6.275 3.996 -8.938 1.00 0.00 N ATOM 310 CA ASN A 21 5.413 4.721 -8.012 1.00 0.00 C ATOM 311 C ASN A 21 3.955 4.304 -8.186 1.00 0.00 C ATOM 312 O ASN A 21 3.312 4.654 -9.175 1.00 0.00 O ATOM 313 CB ASN A 21 5.553 6.229 -8.226 1.00 0.00 C ATOM 314 CG ASN A 21 6.994 6.694 -8.141 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.452 7.141 -7.090 1.00 0.00 O ATOM 316 ND2 ASN A 21 7.715 6.590 -9.251 1.00 0.00 N ATOM 0 H ASN A 21 5.864 3.834 -9.857 1.00 0.00 H new ATOM 0 HA ASN A 21 5.724 4.475 -6.997 1.00 0.00 H new ATOM 0 HB2 ASN A 21 5.146 6.494 -9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.959 6.756 -7.479 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.691 6.887 -9.255 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.293 6.213 -10.100 1.00 0.00 H new ATOM 323 N VAL A 22 3.440 3.555 -7.216 1.00 0.00 N ATOM 324 CA VAL A 22 2.058 3.091 -7.260 1.00 0.00 C ATOM 325 C VAL A 22 1.262 3.625 -6.075 1.00 0.00 C ATOM 326 O VAL A 22 1.821 3.907 -5.015 1.00 0.00 O ATOM 327 CB VAL A 22 1.982 1.553 -7.265 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.448 0.991 -5.931 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.568 1.091 -7.582 1.00 0.00 C ATOM 0 H VAL A 22 3.959 3.257 -6.390 1.00 0.00 H new ATOM 0 HA VAL A 22 1.625 3.471 -8.186 1.00 0.00 H new ATOM 0 HB VAL A 22 2.646 1.176 -8.043 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.387 -0.097 -5.953 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.479 1.293 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.812 1.374 -5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.532 0.002 -7.581 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.118 1.477 -6.828 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.275 1.463 -8.564 1.00 0.00 H new ATOM 339 N ARG A 23 -0.047 3.761 -6.262 1.00 0.00 N ATOM 340 CA ARG A 23 -0.921 4.261 -5.208 1.00 0.00 C ATOM 341 C ARG A 23 -2.087 3.306 -4.969 1.00 0.00 C ATOM 342 O ARG A 23 -2.455 2.529 -5.849 1.00 0.00 O ATOM 343 CB ARG A 23 -1.452 5.649 -5.573 1.00 0.00 C ATOM 344 CG ARG A 23 -0.538 6.784 -5.140 1.00 0.00 C ATOM 345 CD ARG A 23 -1.252 7.749 -4.206 1.00 0.00 C ATOM 346 NE ARG A 23 -0.917 9.140 -4.497 1.00 0.00 N ATOM 347 CZ ARG A 23 -1.412 9.816 -5.528 1.00 0.00 C ATOM 348 NH1 ARG A 23 -2.261 9.231 -6.362 1.00 0.00 N ATOM 349 NH2 ARG A 23 -1.059 11.080 -5.726 1.00 0.00 N ATOM 0 H ARG A 23 -0.525 3.532 -7.133 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.338 4.331 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.596 5.701 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.431 5.787 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.340 6.375 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.183 7.322 -6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.329 7.609 -4.295 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.985 7.520 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.267 9.619 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.535 8.260 -6.213 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.640 9.752 -7.153 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.407 11.534 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.440 11.598 -6.518 1.00 0.00 H new ATOM 363 N ILE A 24 -2.661 3.370 -3.772 1.00 0.00 N ATOM 364 CA ILE A 24 -3.785 2.511 -3.418 1.00 0.00 C ATOM 365 C ILE A 24 -5.069 3.320 -3.268 1.00 0.00 C ATOM 366 O ILE A 24 -5.059 4.428 -2.731 1.00 0.00 O ATOM 367 CB ILE A 24 -3.517 1.746 -2.109 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.092 1.189 -2.100 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.531 0.625 -1.934 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.796 0.269 -3.263 1.00 0.00 C ATOM 0 H ILE A 24 -2.367 4.007 -3.032 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.903 1.794 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.621 2.438 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.386 2.019 -2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.928 0.648 -1.168 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.329 0.093 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.536 1.046 -1.900 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.456 -0.068 -2.772 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.769 -0.088 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.478 -0.581 -3.237 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.928 0.812 -4.199 1.00 0.00 H new ATOM 382 N THR A 25 -6.175 2.758 -3.745 1.00 0.00 N ATOM 383 CA THR A 25 -7.468 3.426 -3.663 1.00 0.00 C ATOM 384 C THR A 25 -8.612 2.432 -3.831 1.00 0.00 C ATOM 385 O THR A 25 -9.375 2.505 -4.794 1.00 0.00 O ATOM 386 CB THR A 25 -7.600 4.527 -4.731 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.460 5.393 -4.686 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.868 5.339 -4.518 1.00 0.00 C ATOM 0 H THR A 25 -6.201 1.842 -4.192 1.00 0.00 H new ATOM 0 HA THR A 25 -7.527 3.880 -2.674 1.00 0.00 H new ATOM 0 HB THR A 25 -7.654 4.048 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.347 5.738 -3.776 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.939 6.111 -5.285 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.736 4.682 -4.582 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.839 5.807 -3.534 1.00 0.00 H new ATOM 396 N PHE A 26 -8.725 1.503 -2.887 1.00 0.00 N ATOM 397 CA PHE A 26 -9.776 0.493 -2.931 1.00 0.00 C ATOM 398 C PHE A 26 -10.656 0.569 -1.686 1.00 0.00 C ATOM 399 O PHE A 26 -11.809 0.991 -1.754 1.00 0.00 O ATOM 400 CB PHE A 26 -9.166 -0.905 -3.053 1.00 0.00 C ATOM 401 CG PHE A 26 -10.136 -1.942 -3.543 1.00 0.00 C ATOM 402 CD1 PHE A 26 -10.722 -1.825 -4.793 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.460 -3.033 -2.754 1.00 0.00 C ATOM 404 CE1 PHE A 26 -11.616 -2.778 -5.245 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.353 -3.989 -3.201 1.00 0.00 C ATOM 406 CZ PHE A 26 -11.930 -3.862 -4.449 1.00 0.00 C ATOM 0 H PHE A 26 -8.102 1.429 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.396 0.689 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.316 -0.864 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.780 -1.211 -2.080 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.478 -0.981 -5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.010 -3.138 -1.778 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.069 -2.675 -6.220 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.599 -4.834 -2.575 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.626 -4.609 -4.802 1.00 0.00 H new ATOM 416 N GLU A 27 -10.101 0.156 -0.551 1.00 0.00 N ATOM 417 CA GLU A 27 -10.835 0.176 0.709 1.00 0.00 C ATOM 418 C GLU A 27 -9.962 -0.327 1.855 1.00 0.00 C ATOM 419 O GLU A 27 -8.965 -1.015 1.635 1.00 0.00 O ATOM 420 CB GLU A 27 -12.099 -0.679 0.602 1.00 0.00 C ATOM 421 CG GLU A 27 -11.825 -2.123 0.214 1.00 0.00 C ATOM 422 CD GLU A 27 -12.828 -2.657 -0.790 1.00 0.00 C ATOM 423 OE1 GLU A 27 -13.123 -1.942 -1.770 1.00 0.00 O ATOM 424 OE2 GLU A 27 -13.317 -3.790 -0.596 1.00 0.00 O ATOM 0 H GLU A 27 -9.147 -0.196 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.120 1.207 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.622 -0.661 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.767 -0.234 -0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.822 -2.199 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.845 -2.746 1.108 1.00 0.00 H new ATOM 431 N LEU A 28 -10.345 0.022 3.079 1.00 0.00 N ATOM 432 CA LEU A 28 -9.598 -0.393 4.261 1.00 0.00 C ATOM 433 C LEU A 28 -10.352 -0.030 5.536 1.00 0.00 C ATOM 434 O LEU A 28 -10.507 -0.857 6.435 1.00 0.00 O ATOM 435 CB LEU A 28 -8.214 0.259 4.269 1.00 0.00 C ATOM 436 CG LEU A 28 -7.022 -0.696 4.340 1.00 0.00 C ATOM 437 CD1 LEU A 28 -6.407 -0.885 2.962 1.00 0.00 C ATOM 438 CD2 LEU A 28 -5.983 -0.180 5.324 1.00 0.00 C ATOM 0 H LEU A 28 -11.168 0.591 3.278 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.482 -1.476 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.115 0.865 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.160 0.939 5.119 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.377 -1.664 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.560 -1.568 3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.153 -1.300 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.066 0.078 2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.142 -0.872 5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.632 0.800 5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.430 -0.098 6.315 1.00 0.00 H new ATOM 450 N ASP A 29 -10.819 1.211 5.608 1.00 0.00 N ATOM 451 CA ASP A 29 -11.560 1.684 6.772 1.00 0.00 C ATOM 452 C ASP A 29 -12.766 2.516 6.347 1.00 0.00 C ATOM 453 O ASP A 29 -13.067 2.628 5.159 1.00 0.00 O ATOM 454 CB ASP A 29 -10.649 2.509 7.682 1.00 0.00 C ATOM 455 CG ASP A 29 -10.813 2.149 9.145 1.00 0.00 C ATOM 456 OD1 ASP A 29 -11.858 2.503 9.730 1.00 0.00 O ATOM 457 OD2 ASP A 29 -9.896 1.513 9.706 1.00 0.00 O ATOM 0 H ASP A 29 -10.698 1.909 4.874 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.918 0.814 7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.611 2.356 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.866 3.568 7.545 1.00 0.00 H new ATOM 462 N GLU A 30 -13.452 3.097 7.327 1.00 0.00 N ATOM 463 CA GLU A 30 -14.626 3.918 7.053 1.00 0.00 C ATOM 464 C GLU A 30 -14.427 5.341 7.568 1.00 0.00 C ATOM 465 O GLU A 30 -14.921 6.300 6.976 1.00 0.00 O ATOM 466 CB GLU A 30 -15.869 3.300 7.698 1.00 0.00 C ATOM 467 CG GLU A 30 -16.433 2.120 6.924 1.00 0.00 C ATOM 468 CD GLU A 30 -17.940 2.189 6.774 1.00 0.00 C ATOM 469 OE1 GLU A 30 -18.647 1.951 7.776 1.00 0.00 O ATOM 470 OE2 GLU A 30 -18.413 2.479 5.655 1.00 0.00 O ATOM 0 H GLU A 30 -13.215 3.015 8.316 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.767 3.957 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -15.621 2.976 8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -16.639 4.066 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.974 2.086 5.936 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -16.164 1.194 7.433 1.00 0.00 H new ATOM 477 N ARG A 31 -13.700 5.468 8.673 1.00 0.00 N ATOM 478 CA ARG A 31 -13.437 6.772 9.269 1.00 0.00 C ATOM 479 C ARG A 31 -12.035 7.258 8.914 1.00 0.00 C ATOM 480 O ARG A 31 -11.797 8.459 8.784 1.00 0.00 O ATOM 481 CB ARG A 31 -13.596 6.704 10.789 1.00 0.00 C ATOM 482 CG ARG A 31 -14.262 7.931 11.387 1.00 0.00 C ATOM 483 CD ARG A 31 -15.682 7.629 11.840 1.00 0.00 C ATOM 484 NE ARG A 31 -16.206 8.665 12.727 1.00 0.00 N ATOM 485 CZ ARG A 31 -17.329 8.536 13.425 1.00 0.00 C ATOM 486 NH1 ARG A 31 -18.042 7.421 13.339 1.00 0.00 N ATOM 487 NH2 ARG A 31 -17.740 9.523 14.211 1.00 0.00 N ATOM 0 H ARG A 31 -13.283 4.684 9.174 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.161 7.480 8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.182 5.822 11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -12.613 6.577 11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.677 8.287 12.235 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.277 8.734 10.650 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.329 7.538 10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -15.702 6.668 12.354 1.00 0.00 H new ATOM 0 HE ARG A 31 -15.681 9.535 12.815 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.728 6.660 12.736 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -18.904 7.324 13.876 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -17.194 10.382 14.280 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.602 9.423 14.747 1.00 0.00 H new ATOM 501 N VAL A 32 -11.109 6.317 8.760 1.00 0.00 N ATOM 502 CA VAL A 32 -9.730 6.649 8.421 1.00 0.00 C ATOM 503 C VAL A 32 -9.367 6.135 7.032 1.00 0.00 C ATOM 504 O VAL A 32 -8.261 5.640 6.812 1.00 0.00 O ATOM 505 CB VAL A 32 -8.743 6.065 9.448 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.939 6.716 10.808 1.00 0.00 C ATOM 507 CG2 VAL A 32 -8.904 4.555 9.542 1.00 0.00 C ATOM 0 H VAL A 32 -11.289 5.318 8.865 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.654 7.736 8.434 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.728 6.279 9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.232 6.290 11.520 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.769 7.789 10.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.957 6.536 11.154 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.199 4.159 10.272 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.921 4.316 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.708 4.107 8.568 1.00 0.00 H new ATOM 517 N ASP A 33 -10.305 6.255 6.099 1.00 0.00 N ATOM 518 CA ASP A 33 -10.083 5.803 4.730 1.00 0.00 C ATOM 519 C ASP A 33 -9.072 6.697 4.020 1.00 0.00 C ATOM 520 O ASP A 33 -8.129 6.211 3.394 1.00 0.00 O ATOM 521 CB ASP A 33 -11.402 5.788 3.956 1.00 0.00 C ATOM 522 CG ASP A 33 -12.062 7.152 3.911 1.00 0.00 C ATOM 523 OD1 ASP A 33 -12.455 7.657 4.984 1.00 0.00 O ATOM 524 OD2 ASP A 33 -12.187 7.715 2.803 1.00 0.00 O ATOM 0 H ASP A 33 -11.226 6.661 6.265 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.681 4.790 4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.219 5.442 2.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.083 5.073 4.418 1.00 0.00 H new ATOM 529 N LYS A 34 -9.274 8.006 4.120 1.00 0.00 N ATOM 530 CA LYS A 34 -8.381 8.970 3.488 1.00 0.00 C ATOM 531 C LYS A 34 -7.047 9.040 4.225 1.00 0.00 C ATOM 532 O LYS A 34 -6.073 9.594 3.714 1.00 0.00 O ATOM 533 CB LYS A 34 -9.031 10.355 3.455 1.00 0.00 C ATOM 534 CG LYS A 34 -8.859 11.138 4.745 1.00 0.00 C ATOM 535 CD LYS A 34 -9.559 10.457 5.909 1.00 0.00 C ATOM 536 CE LYS A 34 -9.917 11.451 7.003 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.376 11.447 7.301 1.00 0.00 N ATOM 0 H LYS A 34 -10.050 8.424 4.634 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.195 8.639 2.466 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.604 10.928 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.095 10.243 3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.797 11.243 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.259 12.144 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.464 9.965 5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.914 9.680 6.319 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.361 11.210 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.611 12.452 6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.611 12.267 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.912 11.500 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.625 10.572 7.804 1.00 0.00 H new ATOM 551 N VAL A 35 -7.010 8.474 5.427 1.00 0.00 N ATOM 552 CA VAL A 35 -5.795 8.471 6.233 1.00 0.00 C ATOM 553 C VAL A 35 -4.749 7.531 5.646 1.00 0.00 C ATOM 554 O VAL A 35 -3.558 7.649 5.937 1.00 0.00 O ATOM 555 CB VAL A 35 -6.087 8.053 7.686 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.799 7.992 8.493 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.082 9.010 8.326 1.00 0.00 C ATOM 0 H VAL A 35 -7.807 8.012 5.864 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.408 9.490 6.227 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.530 7.057 7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.025 7.695 9.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.123 7.264 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.325 8.973 8.496 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.277 8.700 9.353 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.669 10.019 8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.014 8.998 7.760 1.00 0.00 H new ATOM 567 N LEU A 36 -5.200 6.597 4.816 1.00 0.00 N ATOM 568 CA LEU A 36 -4.303 5.635 4.186 1.00 0.00 C ATOM 569 C LEU A 36 -4.374 5.738 2.666 1.00 0.00 C ATOM 570 O LEU A 36 -3.738 4.965 1.951 1.00 0.00 O ATOM 571 CB LEU A 36 -4.654 4.213 4.629 1.00 0.00 C ATOM 572 CG LEU A 36 -5.882 3.588 3.966 1.00 0.00 C ATOM 573 CD1 LEU A 36 -5.480 2.393 3.116 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.905 3.179 5.016 1.00 0.00 C ATOM 0 H LEU A 36 -6.182 6.485 4.564 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.285 5.866 4.500 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.795 3.571 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.811 4.218 5.708 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.338 4.333 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.367 1.961 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.785 2.715 2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.999 1.644 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.772 2.736 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.460 2.450 5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.217 4.057 5.582 1.00 0.00 H new ATOM 586 N ASN A 37 -5.151 6.700 2.179 1.00 0.00 N ATOM 587 CA ASN A 37 -5.304 6.907 0.743 1.00 0.00 C ATOM 588 C ASN A 37 -4.837 8.302 0.342 1.00 0.00 C ATOM 589 O ASN A 37 -4.467 8.536 -0.808 1.00 0.00 O ATOM 590 CB ASN A 37 -6.764 6.706 0.331 1.00 0.00 C ATOM 591 CG ASN A 37 -7.049 7.235 -1.061 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.582 6.681 -2.056 1.00 0.00 O ATOM 593 ND2 ASN A 37 -7.820 8.314 -1.138 1.00 0.00 N ATOM 0 H ASN A 37 -5.685 7.349 2.758 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.684 6.174 0.227 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.007 5.644 0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.414 7.208 1.048 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.046 8.715 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.186 8.741 -0.287 1.00 0.00 H new ATOM 600 N GLU A 38 -4.858 9.226 1.298 1.00 0.00 N ATOM 601 CA GLU A 38 -4.437 10.598 1.043 1.00 0.00 C ATOM 602 C GLU A 38 -3.264 10.984 1.940 1.00 0.00 C ATOM 603 O GLU A 38 -2.404 11.773 1.552 1.00 0.00 O ATOM 604 CB GLU A 38 -5.603 11.563 1.267 1.00 0.00 C ATOM 605 CG GLU A 38 -5.168 12.998 1.514 1.00 0.00 C ATOM 606 CD GLU A 38 -6.117 14.009 0.901 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.332 13.727 0.848 1.00 0.00 O ATOM 608 OE2 GLU A 38 -5.643 15.083 0.475 1.00 0.00 O ATOM 0 H GLU A 38 -5.162 9.049 2.255 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.114 10.664 0.004 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.258 11.536 0.396 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.190 11.219 2.119 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.100 13.173 2.588 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.169 13.147 1.103 1.00 0.00 H new ATOM 615 N LYS A 39 -3.238 10.420 3.143 1.00 0.00 N ATOM 616 CA LYS A 39 -2.172 10.702 4.097 1.00 0.00 C ATOM 617 C LYS A 39 -0.903 9.937 3.737 1.00 0.00 C ATOM 618 O LYS A 39 0.207 10.383 4.032 1.00 0.00 O ATOM 619 CB LYS A 39 -2.618 10.334 5.514 1.00 0.00 C ATOM 620 CG LYS A 39 -2.322 11.411 6.544 1.00 0.00 C ATOM 621 CD LYS A 39 -3.486 11.600 7.503 1.00 0.00 C ATOM 622 CE LYS A 39 -4.231 12.896 7.228 1.00 0.00 C ATOM 623 NZ LYS A 39 -3.429 14.090 7.612 1.00 0.00 N ATOM 0 H LYS A 39 -3.943 9.765 3.480 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.955 11.769 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.689 10.133 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.122 9.411 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.427 11.143 7.105 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.110 12.352 6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.173 10.758 7.413 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.117 11.602 8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.482 12.953 6.169 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.172 12.898 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.047 14.925 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.998 13.933 8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.680 14.247 6.907 1.00 0.00 H new ATOM 637 N CYS A 40 -1.073 8.785 3.098 1.00 0.00 N ATOM 638 CA CYS A 40 0.060 7.958 2.697 1.00 0.00 C ATOM 639 C CYS A 40 -0.410 6.734 1.919 1.00 0.00 C ATOM 640 O CYS A 40 -0.617 5.664 2.491 1.00 0.00 O ATOM 641 CB CYS A 40 0.859 7.521 3.926 1.00 0.00 C ATOM 642 SG CYS A 40 2.202 6.367 3.560 1.00 0.00 S ATOM 0 H CYS A 40 -1.984 8.402 2.846 1.00 0.00 H new ATOM 0 HA CYS A 40 0.702 8.554 2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.275 8.405 4.409 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.180 7.057 4.641 1.00 0.00 H new ATOM 0 HG CYS A 40 2.820 6.057 4.661 1.00 0.00 H new ATOM 648 N SER A 41 -0.577 6.899 0.610 1.00 0.00 N ATOM 649 CA SER A 41 -1.028 5.809 -0.247 1.00 0.00 C ATOM 650 C SER A 41 0.006 5.504 -1.326 1.00 0.00 C ATOM 651 O SER A 41 -0.093 4.498 -2.030 1.00 0.00 O ATOM 652 CB SER A 41 -2.369 6.161 -0.894 1.00 0.00 C ATOM 653 OG SER A 41 -3.182 5.010 -1.041 1.00 0.00 O ATOM 0 H SER A 41 -0.407 7.777 0.120 1.00 0.00 H new ATOM 0 HA SER A 41 -1.154 4.921 0.372 1.00 0.00 H new ATOM 0 HB2 SER A 41 -2.887 6.901 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.197 6.616 -1.870 1.00 0.00 H new ATOM 0 HG SER A 41 -3.703 5.081 -1.868 1.00 0.00 H new ATOM 659 N VAL A 42 0.998 6.379 -1.451 1.00 0.00 N ATOM 660 CA VAL A 42 2.052 6.204 -2.443 1.00 0.00 C ATOM 661 C VAL A 42 3.201 5.374 -1.884 1.00 0.00 C ATOM 662 O VAL A 42 3.633 5.577 -0.748 1.00 0.00 O ATOM 663 CB VAL A 42 2.600 7.561 -2.925 1.00 0.00 C ATOM 664 CG1 VAL A 42 3.026 8.415 -1.741 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.759 7.355 -3.889 1.00 0.00 C ATOM 0 H VAL A 42 1.094 7.217 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 42 1.607 5.679 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 42 1.806 8.087 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.410 9.370 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.168 8.591 -1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.805 7.898 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.134 8.324 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.558 6.809 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.417 6.784 -4.753 1.00 0.00 H new ATOM 675 N TYR A 43 3.694 4.438 -2.687 1.00 0.00 N ATOM 676 CA TYR A 43 4.793 3.574 -2.272 1.00 0.00 C ATOM 677 C TYR A 43 5.717 3.266 -3.446 1.00 0.00 C ATOM 678 O TYR A 43 5.286 3.230 -4.599 1.00 0.00 O ATOM 679 CB TYR A 43 4.250 2.272 -1.680 1.00 0.00 C ATOM 680 CG TYR A 43 3.246 2.484 -0.570 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.912 2.753 -0.855 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.629 2.415 0.764 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.991 2.948 0.156 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.715 2.607 1.781 1.00 0.00 C ATOM 685 CZ TYR A 43 1.397 2.874 1.472 1.00 0.00 C ATOM 686 OH TYR A 43 0.483 3.066 2.482 1.00 0.00 O ATOM 0 H TYR A 43 3.350 4.258 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 43 5.368 4.100 -1.510 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.784 1.689 -2.474 1.00 0.00 H new ATOM 0 HB3 TYR A 43 5.083 1.682 -1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.590 2.810 -1.884 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.660 2.207 1.010 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.041 3.157 -0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.030 2.549 2.812 1.00 0.00 H new ATOM 0 HH TYR A 43 0.135 3.981 2.439 1.00 0.00 H new ATOM 696 N THR A 44 6.992 3.043 -3.144 1.00 0.00 N ATOM 697 CA THR A 44 7.979 2.738 -4.172 1.00 0.00 C ATOM 698 C THR A 44 8.016 1.244 -4.473 1.00 0.00 C ATOM 699 O THR A 44 7.876 0.416 -3.574 1.00 0.00 O ATOM 700 CB THR A 44 9.388 3.200 -3.754 1.00 0.00 C ATOM 701 OG1 THR A 44 9.292 4.316 -2.861 1.00 0.00 O ATOM 702 CG2 THR A 44 10.214 3.588 -4.971 1.00 0.00 C ATOM 0 H THR A 44 7.365 3.068 -2.195 1.00 0.00 H new ATOM 0 HA THR A 44 7.678 3.280 -5.069 1.00 0.00 H new ATOM 0 HB THR A 44 9.883 2.371 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.191 4.603 -2.598 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.205 3.911 -4.651 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.309 2.729 -5.635 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.721 4.403 -5.501 1.00 0.00 H new ATOM 710 N VAL A 45 8.205 0.906 -5.745 1.00 0.00 N ATOM 711 CA VAL A 45 8.261 -0.489 -6.165 1.00 0.00 C ATOM 712 C VAL A 45 9.530 -0.772 -6.962 1.00 0.00 C ATOM 713 O VAL A 45 9.705 -0.263 -8.069 1.00 0.00 O ATOM 714 CB VAL A 45 7.036 -0.869 -7.018 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.183 -2.280 -7.565 1.00 0.00 C ATOM 716 CG2 VAL A 45 5.759 -0.734 -6.203 1.00 0.00 C ATOM 0 H VAL A 45 8.322 1.579 -6.502 1.00 0.00 H new ATOM 0 HA VAL A 45 8.263 -1.093 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 45 6.975 -0.183 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.308 -2.531 -8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.077 -2.338 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.269 -2.984 -6.737 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.903 -1.006 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.808 -1.396 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.650 0.297 -5.866 1.00 0.00 H new ATOM 726 N GLU A 46 10.411 -1.588 -6.392 1.00 0.00 N ATOM 727 CA GLU A 46 11.664 -1.938 -7.051 1.00 0.00 C ATOM 728 C GLU A 46 11.406 -2.501 -8.446 1.00 0.00 C ATOM 729 O GLU A 46 10.259 -2.699 -8.845 1.00 0.00 O ATOM 730 CB GLU A 46 12.439 -2.956 -6.213 1.00 0.00 C ATOM 731 CG GLU A 46 13.821 -2.478 -5.799 1.00 0.00 C ATOM 732 CD GLU A 46 14.796 -3.621 -5.592 1.00 0.00 C ATOM 733 OE1 GLU A 46 14.631 -4.372 -4.608 1.00 0.00 O ATOM 734 OE2 GLU A 46 15.724 -3.764 -6.415 1.00 0.00 O ATOM 0 H GLU A 46 10.281 -2.019 -5.477 1.00 0.00 H new ATOM 0 HA GLU A 46 12.260 -1.030 -7.149 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.862 -3.192 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.539 -3.881 -6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.212 -1.805 -6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.741 -1.902 -4.877 1.00 0.00 H new ATOM 741 N SER A 47 12.483 -2.755 -9.183 1.00 0.00 N ATOM 742 CA SER A 47 12.375 -3.291 -10.535 1.00 0.00 C ATOM 743 C SER A 47 12.403 -4.817 -10.518 1.00 0.00 C ATOM 744 O SER A 47 12.323 -5.462 -11.563 1.00 0.00 O ATOM 745 CB SER A 47 13.511 -2.759 -11.410 1.00 0.00 C ATOM 746 OG SER A 47 13.013 -1.915 -12.434 1.00 0.00 O ATOM 0 H SER A 47 13.440 -2.598 -8.867 1.00 0.00 H new ATOM 0 HA SER A 47 11.422 -2.966 -10.953 1.00 0.00 H new ATOM 0 HB2 SER A 47 14.222 -2.208 -10.794 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.054 -3.593 -11.854 1.00 0.00 H new ATOM 0 HG SER A 47 13.677 -1.844 -13.151 1.00 0.00 H new ATOM 752 N GLY A 48 12.516 -5.388 -9.323 1.00 0.00 N ATOM 753 CA GLY A 48 12.553 -6.832 -9.191 1.00 0.00 C ATOM 754 C GLY A 48 11.940 -7.312 -7.890 1.00 0.00 C ATOM 755 O GLY A 48 12.624 -7.899 -7.051 1.00 0.00 O ATOM 0 H GLY A 48 12.583 -4.876 -8.444 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.021 -7.284 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.587 -7.173 -9.249 1.00 0.00 H new ATOM 759 N THR A 49 10.646 -7.060 -7.719 1.00 0.00 N ATOM 760 CA THR A 49 9.941 -7.467 -6.510 1.00 0.00 C ATOM 761 C THR A 49 8.752 -8.361 -6.841 1.00 0.00 C ATOM 762 O THR A 49 8.577 -8.777 -7.986 1.00 0.00 O ATOM 763 CB THR A 49 9.445 -6.247 -5.711 1.00 0.00 C ATOM 764 OG1 THR A 49 9.233 -6.610 -4.342 1.00 0.00 O ATOM 765 CG2 THR A 49 8.154 -5.702 -6.302 1.00 0.00 C ATOM 0 H THR A 49 10.065 -6.576 -8.403 1.00 0.00 H new ATOM 0 HA THR A 49 10.653 -8.025 -5.902 1.00 0.00 H new ATOM 0 HB THR A 49 10.208 -5.470 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.075 -5.802 -3.810 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.823 -4.841 -5.721 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.326 -5.399 -7.335 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.386 -6.475 -6.274 1.00 0.00 H new ATOM 773 N GLU A 50 7.937 -8.652 -5.832 1.00 0.00 N ATOM 774 CA GLU A 50 6.764 -9.498 -6.018 1.00 0.00 C ATOM 775 C GLU A 50 5.520 -8.840 -5.428 1.00 0.00 C ATOM 776 O GLU A 50 5.616 -7.964 -4.569 1.00 0.00 O ATOM 777 CB GLU A 50 6.986 -10.866 -5.371 1.00 0.00 C ATOM 778 CG GLU A 50 7.498 -11.921 -6.338 1.00 0.00 C ATOM 779 CD GLU A 50 6.603 -13.143 -6.395 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.455 -13.018 -6.871 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.051 -14.226 -5.963 1.00 0.00 O ATOM 0 H GLU A 50 8.067 -8.315 -4.878 1.00 0.00 H new ATOM 0 HA GLU A 50 6.610 -9.632 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.697 -10.760 -4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.048 -11.209 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.578 -11.487 -7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.502 -12.224 -6.041 1.00 0.00 H new ATOM 788 N VAL A 51 4.352 -9.268 -5.897 1.00 0.00 N ATOM 789 CA VAL A 51 3.088 -8.722 -5.416 1.00 0.00 C ATOM 790 C VAL A 51 2.937 -8.928 -3.913 1.00 0.00 C ATOM 791 O VAL A 51 2.158 -8.238 -3.255 1.00 0.00 O ATOM 792 CB VAL A 51 1.889 -9.368 -6.135 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.599 -8.644 -5.776 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.108 -9.370 -7.640 1.00 0.00 C ATOM 0 H VAL A 51 4.255 -9.991 -6.610 1.00 0.00 H new ATOM 0 HA VAL A 51 3.101 -7.654 -5.634 1.00 0.00 H new ATOM 0 HB VAL A 51 1.802 -10.403 -5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.238 -9.114 -6.293 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.438 -8.700 -4.699 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.672 -7.599 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.251 -9.830 -8.132 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.221 -8.345 -7.993 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.009 -9.936 -7.876 1.00 0.00 H new ATOM 804 N THR A 52 3.689 -9.883 -3.373 1.00 0.00 N ATOM 805 CA THR A 52 3.638 -10.181 -1.948 1.00 0.00 C ATOM 806 C THR A 52 4.552 -9.250 -1.159 1.00 0.00 C ATOM 807 O THR A 52 4.326 -9.000 0.025 1.00 0.00 O ATOM 808 CB THR A 52 4.042 -11.640 -1.664 1.00 0.00 C ATOM 809 OG1 THR A 52 4.119 -11.861 -0.251 1.00 0.00 O ATOM 810 CG2 THR A 52 5.382 -11.966 -2.307 1.00 0.00 C ATOM 0 H THR A 52 4.340 -10.463 -3.902 1.00 0.00 H new ATOM 0 HA THR A 52 2.607 -10.029 -1.630 1.00 0.00 H new ATOM 0 HB THR A 52 3.283 -12.294 -2.093 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.375 -12.791 -0.079 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.646 -13.002 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.312 -11.825 -3.386 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.149 -11.305 -1.904 1.00 0.00 H new ATOM 818 N GLU A 53 5.585 -8.739 -1.823 1.00 0.00 N ATOM 819 CA GLU A 53 6.533 -7.836 -1.182 1.00 0.00 C ATOM 820 C GLU A 53 5.831 -6.578 -0.679 1.00 0.00 C ATOM 821 O GLU A 53 6.169 -6.045 0.378 1.00 0.00 O ATOM 822 CB GLU A 53 7.648 -7.455 -2.158 1.00 0.00 C ATOM 823 CG GLU A 53 9.040 -7.537 -1.554 1.00 0.00 C ATOM 824 CD GLU A 53 9.870 -8.656 -2.153 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.324 -9.761 -2.351 1.00 0.00 O ATOM 826 OE2 GLU A 53 11.068 -8.425 -2.424 1.00 0.00 O ATOM 0 H GLU A 53 5.786 -8.935 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 53 6.969 -8.354 -0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.599 -8.111 -3.027 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.475 -6.440 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.554 -6.588 -1.705 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.957 -7.687 -0.478 1.00 0.00 H new ATOM 833 N PHE A 54 4.851 -6.108 -1.444 1.00 0.00 N ATOM 834 CA PHE A 54 4.101 -4.912 -1.077 1.00 0.00 C ATOM 835 C PHE A 54 3.216 -5.176 0.138 1.00 0.00 C ATOM 836 O PHE A 54 2.768 -4.245 0.806 1.00 0.00 O ATOM 837 CB PHE A 54 3.244 -4.441 -2.254 1.00 0.00 C ATOM 838 CG PHE A 54 3.952 -4.512 -3.577 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.075 -3.737 -3.819 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.495 -5.353 -4.578 1.00 0.00 C ATOM 841 CE1 PHE A 54 5.727 -3.799 -5.036 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.143 -5.420 -5.797 1.00 0.00 C ATOM 843 CZ PHE A 54 5.261 -4.643 -6.025 1.00 0.00 C ATOM 0 H PHE A 54 4.558 -6.537 -2.322 1.00 0.00 H new ATOM 0 HA PHE A 54 4.815 -4.130 -0.821 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.340 -5.049 -2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.928 -3.413 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.445 -3.077 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.622 -5.964 -4.404 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.600 -3.188 -5.213 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.775 -6.079 -6.570 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.771 -4.695 -6.976 1.00 0.00 H new ATOM 853 N ALA A 55 2.968 -6.452 0.416 1.00 0.00 N ATOM 854 CA ALA A 55 2.139 -6.839 1.550 1.00 0.00 C ATOM 855 C ALA A 55 2.885 -6.651 2.866 1.00 0.00 C ATOM 856 O ALA A 55 2.315 -6.820 3.944 1.00 0.00 O ATOM 857 CB ALA A 55 1.683 -8.283 1.402 1.00 0.00 C ATOM 0 H ALA A 55 3.330 -7.235 -0.129 1.00 0.00 H new ATOM 0 HA ALA A 55 1.262 -6.192 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.065 -8.559 2.256 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.103 -8.389 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.554 -8.937 1.359 1.00 0.00 H new ATOM 863 N CYS A 56 4.163 -6.301 2.771 1.00 0.00 N ATOM 864 CA CYS A 56 4.989 -6.091 3.955 1.00 0.00 C ATOM 865 C CYS A 56 5.386 -4.625 4.088 1.00 0.00 C ATOM 866 O CYS A 56 5.902 -4.202 5.122 1.00 0.00 O ATOM 867 CB CYS A 56 6.241 -6.968 3.891 1.00 0.00 C ATOM 868 SG CYS A 56 6.530 -7.951 5.381 1.00 0.00 S ATOM 0 H CYS A 56 4.650 -6.157 1.886 1.00 0.00 H new ATOM 0 HA CYS A 56 4.403 -6.370 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 56 6.158 -7.639 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 56 7.108 -6.332 3.714 1.00 0.00 H new ATOM 0 HG CYS A 56 7.609 -8.660 5.230 1.00 0.00 H new ATOM 874 N VAL A 57 5.144 -3.853 3.033 1.00 0.00 N ATOM 875 CA VAL A 57 5.478 -2.434 3.031 1.00 0.00 C ATOM 876 C VAL A 57 4.225 -1.575 3.166 1.00 0.00 C ATOM 877 O VAL A 57 4.277 -0.459 3.681 1.00 0.00 O ATOM 878 CB VAL A 57 6.225 -2.034 1.744 1.00 0.00 C ATOM 879 CG1 VAL A 57 5.273 -2.017 0.558 1.00 0.00 C ATOM 880 CG2 VAL A 57 6.898 -0.682 1.918 1.00 0.00 C ATOM 0 H VAL A 57 4.718 -4.187 2.169 1.00 0.00 H new ATOM 0 HA VAL A 57 6.129 -2.261 3.888 1.00 0.00 H new ATOM 0 HB VAL A 57 6.999 -2.776 1.547 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.818 -1.732 -0.342 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.842 -3.009 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.475 -1.297 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.421 -0.415 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.144 0.074 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.612 -0.734 2.740 1.00 0.00 H new ATOM 890 N VAL A 58 3.098 -2.105 2.699 1.00 0.00 N ATOM 891 CA VAL A 58 1.831 -1.388 2.768 1.00 0.00 C ATOM 892 C VAL A 58 1.084 -1.715 4.057 1.00 0.00 C ATOM 893 O VAL A 58 0.065 -1.101 4.369 1.00 0.00 O ATOM 894 CB VAL A 58 0.929 -1.724 1.566 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.319 -0.854 1.574 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.696 -1.559 0.263 1.00 0.00 C ATOM 0 H VAL A 58 3.038 -3.028 2.269 1.00 0.00 H new ATOM 0 HA VAL A 58 2.068 -0.324 2.748 1.00 0.00 H new ATOM 0 HB VAL A 58 0.617 -2.765 1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.944 -1.106 0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.877 -1.027 2.494 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.031 0.196 1.517 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.044 -1.800 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.039 -0.529 0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.555 -2.230 0.259 1.00 0.00 H new ATOM 906 N ALA A 59 1.600 -2.686 4.803 1.00 0.00 N ATOM 907 CA ALA A 59 0.984 -3.094 6.059 1.00 0.00 C ATOM 908 C ALA A 59 1.854 -2.703 7.249 1.00 0.00 C ATOM 909 O ALA A 59 1.502 -2.965 8.399 1.00 0.00 O ATOM 910 CB ALA A 59 0.729 -4.594 6.060 1.00 0.00 C ATOM 0 H ALA A 59 2.444 -3.205 4.559 1.00 0.00 H new ATOM 0 HA ALA A 59 0.030 -2.575 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.269 -4.884 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.062 -4.850 5.237 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.674 -5.124 5.939 1.00 0.00 H new ATOM 916 N GLU A 60 2.992 -2.076 6.965 1.00 0.00 N ATOM 917 CA GLU A 60 3.912 -1.651 8.013 1.00 0.00 C ATOM 918 C GLU A 60 4.080 -0.134 8.007 1.00 0.00 C ATOM 919 O GLU A 60 4.694 0.436 8.908 1.00 0.00 O ATOM 920 CB GLU A 60 5.273 -2.327 7.832 1.00 0.00 C ATOM 921 CG GLU A 60 6.089 -1.755 6.686 1.00 0.00 C ATOM 922 CD GLU A 60 7.462 -2.388 6.574 1.00 0.00 C ATOM 923 OE1 GLU A 60 7.712 -3.392 7.273 1.00 0.00 O ATOM 924 OE2 GLU A 60 8.287 -1.879 5.787 1.00 0.00 O ATOM 0 H GLU A 60 3.298 -1.852 6.018 1.00 0.00 H new ATOM 0 HA GLU A 60 3.491 -1.949 8.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.843 -2.231 8.756 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.120 -3.393 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.548 -1.902 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.199 -0.680 6.825 1.00 0.00 H new ATOM 931 N ALA A 61 3.530 0.512 6.984 1.00 0.00 N ATOM 932 CA ALA A 61 3.618 1.962 6.861 1.00 0.00 C ATOM 933 C ALA A 61 2.285 2.623 7.198 1.00 0.00 C ATOM 934 O ALA A 61 2.147 3.843 7.112 1.00 0.00 O ATOM 935 CB ALA A 61 4.061 2.347 5.457 1.00 0.00 C ATOM 0 H ALA A 61 3.019 0.055 6.229 1.00 0.00 H new ATOM 0 HA ALA A 61 4.361 2.318 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.122 3.433 5.380 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.040 1.913 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.339 1.972 4.732 1.00 0.00 H new ATOM 941 N VAL A 62 1.306 1.809 7.579 1.00 0.00 N ATOM 942 CA VAL A 62 -0.016 2.315 7.929 1.00 0.00 C ATOM 943 C VAL A 62 -0.326 2.071 9.401 1.00 0.00 C ATOM 944 O VAL A 62 -1.204 2.714 9.977 1.00 0.00 O ATOM 945 CB VAL A 62 -1.113 1.660 7.069 1.00 0.00 C ATOM 946 CG1 VAL A 62 -1.265 2.395 5.746 1.00 0.00 C ATOM 947 CG2 VAL A 62 -0.801 0.189 6.838 1.00 0.00 C ATOM 0 H VAL A 62 1.403 0.796 7.653 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.006 3.388 7.736 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.059 1.728 7.605 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.044 1.918 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.538 3.433 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.322 2.362 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.586 -0.258 6.229 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.155 0.096 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.748 -0.327 7.797 1.00 0.00 H new ATOM 957 N VAL A 63 0.401 1.138 10.007 1.00 0.00 N ATOM 958 CA VAL A 63 0.205 0.809 11.414 1.00 0.00 C ATOM 959 C VAL A 63 0.712 1.929 12.315 1.00 0.00 C ATOM 960 O VAL A 63 0.664 1.825 13.541 1.00 0.00 O ATOM 961 CB VAL A 63 0.922 -0.501 11.789 1.00 0.00 C ATOM 962 CG1 VAL A 63 0.544 -0.933 13.198 1.00 0.00 C ATOM 963 CG2 VAL A 63 0.596 -1.594 10.783 1.00 0.00 C ATOM 0 H VAL A 63 1.132 0.596 9.545 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.867 0.683 11.564 1.00 0.00 H new ATOM 0 HB VAL A 63 1.997 -0.325 11.765 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.060 -1.861 13.445 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.833 -0.157 13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.533 -1.092 13.253 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.111 -2.512 11.064 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.480 -1.770 10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.922 -1.284 9.790 1.00 0.00 H new ATOM 973 N LYS A 64 1.198 3.002 11.701 1.00 0.00 N ATOM 974 CA LYS A 64 1.713 4.144 12.446 1.00 0.00 C ATOM 975 C LYS A 64 0.963 5.420 12.074 1.00 0.00 C ATOM 976 O LYS A 64 1.159 6.469 12.687 1.00 0.00 O ATOM 977 CB LYS A 64 3.209 4.323 12.177 1.00 0.00 C ATOM 978 CG LYS A 64 3.594 4.116 10.723 1.00 0.00 C ATOM 979 CD LYS A 64 4.346 2.810 10.526 1.00 0.00 C ATOM 980 CE LYS A 64 5.685 2.824 11.247 1.00 0.00 C ATOM 981 NZ LYS A 64 6.822 2.604 10.310 1.00 0.00 N ATOM 0 H LYS A 64 1.246 3.105 10.687 1.00 0.00 H new ATOM 0 HA LYS A 64 1.562 3.951 13.508 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.507 5.325 12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.768 3.621 12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.697 4.117 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.213 4.948 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.741 1.982 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.506 2.638 9.462 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.813 3.779 11.756 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.692 2.050 12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.717 2.621 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.713 1.681 9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.831 3.356 9.592 1.00 0.00 H new ATOM 995 N THR A 65 0.101 5.322 11.067 1.00 0.00 N ATOM 996 CA THR A 65 -0.679 6.467 10.614 1.00 0.00 C ATOM 997 C THR A 65 -2.174 6.188 10.715 1.00 0.00 C ATOM 998 O THR A 65 -2.996 7.093 10.562 1.00 0.00 O ATOM 999 CB THR A 65 -0.334 6.841 9.160 1.00 0.00 C ATOM 1000 OG1 THR A 65 1.087 6.900 8.992 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.951 8.180 8.785 1.00 0.00 C ATOM 0 H THR A 65 -0.075 4.461 10.549 1.00 0.00 H new ATOM 0 HA THR A 65 -0.424 7.302 11.266 1.00 0.00 H new ATOM 0 HB THR A 65 -0.744 6.073 8.504 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.297 7.137 8.065 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.694 8.423 7.754 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.035 8.122 8.885 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.567 8.956 9.447 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.521 4.932 10.972 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.919 4.534 11.094 1.00 0.00 C ATOM 1011 C LEU A 66 -4.277 4.243 12.548 1.00 0.00 C ATOM 1012 O LEU A 66 -5.305 3.628 12.832 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.196 3.302 10.232 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.445 3.564 8.746 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -5.777 4.269 8.545 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -3.310 4.385 8.152 1.00 0.00 C ATOM 0 H LEU A 66 -1.853 4.171 11.100 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.538 5.360 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.349 2.622 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.065 2.786 10.640 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.483 2.605 8.229 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.937 4.447 7.482 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.581 3.645 8.934 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.768 5.221 9.075 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.504 4.562 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.240 5.340 8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.371 3.842 8.263 1.00 0.00 H new ATOM 1028 N GLN A 67 -3.425 4.692 13.464 1.00 0.00 N ATOM 1029 CA GLN A 67 -3.653 4.480 14.888 1.00 0.00 C ATOM 1030 C GLN A 67 -3.600 5.800 15.650 1.00 0.00 C ATOM 1031 O GLN A 67 -3.110 5.875 16.777 1.00 0.00 O ATOM 1032 CB GLN A 67 -2.615 3.509 15.454 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.282 3.550 14.724 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.100 3.386 15.658 1.00 0.00 C ATOM 1035 OE1 GLN A 67 0.709 4.300 15.821 1.00 0.00 O ATOM 1036 NE2 GLN A 67 0.007 2.217 16.279 1.00 0.00 N ATOM 0 H GLN A 67 -2.571 5.205 13.245 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.647 4.050 15.011 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.451 3.739 16.507 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.014 2.496 15.408 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.259 2.760 13.973 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.192 4.498 14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -0.686 1.487 16.115 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.782 2.049 16.920 1.00 0.00 H new ATOM 1045 N PRO A 68 -4.114 6.868 15.022 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.137 8.205 15.622 1.00 0.00 C ATOM 1047 C PRO A 68 -5.113 8.300 16.790 1.00 0.00 C ATOM 1048 O PRO A 68 -4.953 9.135 17.680 1.00 0.00 O ATOM 1049 CB PRO A 68 -4.593 9.104 14.470 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.366 8.202 13.570 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.714 6.852 13.677 1.00 0.00 C ATOM 0 HA PRO A 68 -3.168 8.481 16.038 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.210 9.927 14.830 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.742 9.546 13.952 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.413 8.155 13.870 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -5.345 8.565 12.542 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.440 6.046 13.570 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.961 6.707 12.903 1.00 0.00 H new ATOM 1059 N VAL A 69 -6.124 7.437 16.781 1.00 0.00 N ATOM 1060 CA VAL A 69 -7.126 7.423 17.841 1.00 0.00 C ATOM 1061 C VAL A 69 -7.757 6.042 17.981 1.00 0.00 C ATOM 1062 O VAL A 69 -8.979 5.900 17.939 1.00 0.00 O ATOM 1063 CB VAL A 69 -8.235 8.458 17.579 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.759 9.856 17.945 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.683 8.403 16.126 1.00 0.00 C ATOM 0 H VAL A 69 -6.271 6.739 16.052 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.612 7.680 18.767 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.090 8.214 18.209 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.556 10.574 17.753 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.492 9.884 19.001 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.887 10.113 17.343 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.467 9.141 15.959 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.836 8.620 15.476 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.067 7.408 15.901 1.00 0.00 H new ATOM 1075 N SER A 70 -6.916 5.027 18.148 1.00 0.00 N ATOM 1076 CA SER A 70 -7.391 3.656 18.292 1.00 0.00 C ATOM 1077 C SER A 70 -8.330 3.529 19.488 1.00 0.00 C ATOM 1078 O SER A 70 -9.085 2.563 19.598 1.00 0.00 O ATOM 1079 CB SER A 70 -6.209 2.698 18.454 1.00 0.00 C ATOM 1080 OG SER A 70 -5.433 2.642 17.269 1.00 0.00 O ATOM 0 H SER A 70 -5.902 5.128 18.187 1.00 0.00 H new ATOM 0 HA SER A 70 -7.942 3.392 17.389 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.585 3.023 19.286 1.00 0.00 H new ATOM 0 HB3 SER A 70 -6.575 1.701 18.700 1.00 0.00 H new ATOM 0 HG SER A 70 -4.683 2.025 17.398 1.00 0.00 H new ATOM 1086 N ASP A 71 -8.277 4.511 20.380 1.00 0.00 N ATOM 1087 CA ASP A 71 -9.123 4.512 21.568 1.00 0.00 C ATOM 1088 C ASP A 71 -10.598 4.439 21.185 1.00 0.00 C ATOM 1089 O ASP A 71 -11.443 4.056 21.995 1.00 0.00 O ATOM 1090 CB ASP A 71 -8.862 5.764 22.406 1.00 0.00 C ATOM 1091 CG ASP A 71 -8.916 7.035 21.581 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -7.900 7.366 20.935 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -9.974 7.698 21.581 1.00 0.00 O ATOM 0 H ASP A 71 -7.657 5.317 20.303 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.876 3.631 22.160 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.600 5.822 23.206 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -7.884 5.683 22.880 1.00 0.00 H new ATOM 1098 N LEU A 72 -10.901 4.812 19.946 1.00 0.00 N ATOM 1099 CA LEU A 72 -12.274 4.790 19.455 1.00 0.00 C ATOM 1100 C LEU A 72 -12.509 3.587 18.547 1.00 0.00 C ATOM 1101 O LEU A 72 -13.584 2.985 18.562 1.00 0.00 O ATOM 1102 CB LEU A 72 -12.586 6.083 18.698 1.00 0.00 C ATOM 1103 CG LEU A 72 -12.009 6.190 17.287 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.987 5.629 16.266 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.666 7.636 16.959 1.00 0.00 C ATOM 0 H LEU A 72 -10.214 5.133 19.264 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.940 4.709 20.314 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.669 6.191 18.635 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.215 6.923 19.285 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.093 5.601 17.245 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.559 5.714 15.267 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.184 4.580 16.489 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.920 6.190 16.309 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.256 7.693 15.950 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.567 8.246 17.020 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.929 8.006 17.671 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.497 3.240 17.760 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.593 2.106 16.847 1.00 0.00 C ATOM 1119 C LEU A 73 -11.725 0.796 17.617 1.00 0.00 C ATOM 1120 O LEU A 73 -12.469 -0.100 17.216 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.364 2.054 15.938 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.309 3.099 14.823 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.815 4.432 15.365 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.417 2.621 13.686 1.00 0.00 C ATOM 0 H LEU A 73 -10.601 3.727 17.735 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.486 2.238 16.235 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.474 2.165 16.557 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.314 1.064 15.484 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.317 3.239 14.433 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.782 5.163 14.558 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.492 4.782 16.144 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.816 4.307 15.782 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.390 3.378 12.902 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.408 2.452 14.062 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.813 1.691 13.279 1.00 0.00 H new ATOM 1136 N THR A 74 -11.001 0.692 18.727 1.00 0.00 N ATOM 1137 CA THR A 74 -11.038 -0.507 19.554 1.00 0.00 C ATOM 1138 C THR A 74 -12.387 -0.654 20.249 1.00 0.00 C ATOM 1139 O THR A 74 -12.732 -1.731 20.734 1.00 0.00 O ATOM 1140 CB THR A 74 -9.924 -0.491 20.618 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.721 0.048 20.060 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.660 -1.892 21.147 1.00 0.00 C ATOM 0 H THR A 74 -10.382 1.424 19.074 1.00 0.00 H new ATOM 0 HA THR A 74 -10.881 -1.355 18.888 1.00 0.00 H new ATOM 0 HB THR A 74 -10.253 0.137 21.446 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.686 1.013 20.227 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.870 -1.855 21.897 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.570 -2.288 21.598 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.351 -2.539 20.326 1.00 0.00 H new ATOM 1150 N ASN A 75 -13.146 0.436 20.294 1.00 0.00 N ATOM 1151 CA ASN A 75 -14.459 0.428 20.930 1.00 0.00 C ATOM 1152 C ASN A 75 -15.550 0.079 19.922 1.00 0.00 C ATOM 1153 O ASN A 75 -16.595 -0.459 20.285 1.00 0.00 O ATOM 1154 CB ASN A 75 -14.750 1.790 21.563 1.00 0.00 C ATOM 1155 CG ASN A 75 -15.946 2.477 20.933 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -17.088 2.060 21.126 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -15.688 3.535 20.173 1.00 0.00 N ATOM 0 H ASN A 75 -12.875 1.336 19.898 1.00 0.00 H new ATOM 0 HA ASN A 75 -14.453 -0.334 21.710 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.929 1.661 22.630 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -13.873 2.429 21.462 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -16.452 4.037 19.721 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -14.725 3.845 20.041 1.00 0.00 H new ATOM 1164 N MET A 76 -15.298 0.390 18.654 1.00 0.00 N ATOM 1165 CA MET A 76 -16.258 0.108 17.593 1.00 0.00 C ATOM 1166 C MET A 76 -16.084 -1.312 17.066 1.00 0.00 C ATOM 1167 O MET A 76 -17.035 -1.929 16.589 1.00 0.00 O ATOM 1168 CB MET A 76 -16.097 1.113 16.450 1.00 0.00 C ATOM 1169 CG MET A 76 -14.917 0.813 15.540 1.00 0.00 C ATOM 1170 SD MET A 76 -14.971 1.751 14.001 1.00 0.00 S ATOM 1171 CE MET A 76 -14.433 3.363 14.568 1.00 0.00 C ATOM 0 H MET A 76 -14.438 0.837 18.337 1.00 0.00 H new ATOM 0 HA MET A 76 -17.261 0.201 18.010 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.010 1.124 15.855 1.00 0.00 H new ATOM 0 HB3 MET A 76 -15.977 2.112 16.869 1.00 0.00 H new ATOM 0 HG2 MET A 76 -13.990 1.040 16.067 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.901 -0.253 15.311 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.862 4.135 13.929 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.764 3.516 15.595 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.345 3.420 14.525 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.860 -1.826 17.155 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.584 -3.170 16.682 1.00 0.00 C ATOM 1183 C GLY A 77 -13.267 -3.264 15.937 1.00 0.00 C ATOM 1184 O GLY A 77 -12.676 -4.340 15.841 1.00 0.00 O ATOM 0 H GLY A 77 -14.056 -1.336 17.546 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.567 -3.854 17.530 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.392 -3.494 16.027 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.807 -2.135 15.408 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.553 -2.095 14.667 1.00 0.00 C ATOM 1190 C ILE A 78 -10.357 -2.048 15.613 1.00 0.00 C ATOM 1191 O ILE A 78 -10.136 -1.052 16.301 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.494 -0.879 13.724 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -12.656 -0.921 12.730 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.162 -0.842 12.989 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -12.688 0.262 11.788 1.00 0.00 C ATOM 0 H ILE A 78 -13.284 -1.236 15.479 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.509 -3.008 14.073 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.583 0.029 14.320 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.591 -1.839 12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.595 -0.961 13.282 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.136 0.023 12.326 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.349 -0.770 13.712 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.045 -1.753 12.401 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -13.538 0.166 11.112 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.785 1.183 12.363 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.765 0.291 11.209 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.589 -3.132 15.641 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.414 -3.215 16.500 1.00 0.00 C ATOM 1209 C ASP A 79 -7.134 -3.232 15.670 1.00 0.00 C ATOM 1210 O ASP A 79 -6.763 -4.261 15.103 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.484 -4.465 17.378 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.686 -4.320 18.658 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -6.780 -3.461 18.698 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -7.968 -5.063 19.620 1.00 0.00 O ATOM 0 H ASP A 79 -9.759 -3.966 15.078 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.399 -2.332 17.139 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.525 -4.674 17.624 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.111 -5.321 16.816 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.464 -2.087 15.602 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.225 -1.970 14.840 1.00 0.00 C ATOM 1221 C LEU A 80 -4.262 -3.100 15.189 1.00 0.00 C ATOM 1222 O LEU A 80 -3.472 -3.537 14.352 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.563 -0.618 15.111 1.00 0.00 C ATOM 1224 CG LEU A 80 -3.979 0.099 13.893 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -2.807 -0.684 13.323 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -5.051 0.308 12.833 1.00 0.00 C ATOM 0 H LEU A 80 -6.757 -1.227 16.065 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.471 -2.042 13.780 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.299 0.038 15.575 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.764 -0.766 15.838 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.615 1.076 14.210 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.405 -0.158 12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.030 -0.781 14.082 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.144 -1.675 13.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.618 0.820 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.446 -0.658 12.519 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.858 0.913 13.246 1.00 0.00 H new ATOM 1238 N ASP A 81 -4.335 -3.570 16.430 1.00 0.00 N ATOM 1239 CA ASP A 81 -3.471 -4.652 16.889 1.00 0.00 C ATOM 1240 C ASP A 81 -3.552 -5.849 15.947 1.00 0.00 C ATOM 1241 O ASP A 81 -2.599 -6.616 15.820 1.00 0.00 O ATOM 1242 CB ASP A 81 -3.859 -5.076 18.306 1.00 0.00 C ATOM 1243 CG ASP A 81 -2.685 -5.035 19.265 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.939 -6.035 19.332 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -2.511 -4.003 19.946 1.00 0.00 O ATOM 0 H ASP A 81 -4.983 -3.219 17.135 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.444 -4.286 16.895 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.648 -4.421 18.675 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.268 -6.086 18.281 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.698 -6.002 15.290 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.903 -7.108 14.361 1.00 0.00 C ATOM 1252 C GLU A 82 -4.438 -6.732 12.957 1.00 0.00 C ATOM 1253 O GLU A 82 -3.956 -7.578 12.205 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.379 -7.510 14.331 1.00 0.00 C ATOM 1255 CG GLU A 82 -7.222 -6.663 13.392 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.700 -6.721 13.723 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -9.104 -7.624 14.485 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -9.454 -5.861 13.221 1.00 0.00 O ATOM 0 H GLU A 82 -5.497 -5.375 15.384 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.310 -7.955 14.707 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.456 -8.555 14.032 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.788 -7.436 15.339 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.883 -5.628 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -7.069 -7.002 12.367 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.588 -5.458 12.613 1.00 0.00 N ATOM 1266 CA TRP A 83 -4.184 -4.970 11.299 1.00 0.00 C ATOM 1267 C TRP A 83 -2.747 -5.373 10.986 1.00 0.00 C ATOM 1268 O TRP A 83 -2.438 -5.788 9.870 1.00 0.00 O ATOM 1269 CB TRP A 83 -4.326 -3.448 11.232 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.717 -2.996 10.905 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.884 -3.598 11.279 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -6.085 -1.846 10.135 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.956 -2.891 10.789 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -7.492 -1.812 10.084 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -5.363 -0.841 9.486 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -8.188 -0.813 9.409 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -6.056 0.149 8.816 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -7.456 0.158 8.782 1.00 0.00 C ATOM 0 H TRP A 83 -4.986 -4.745 13.224 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.838 -5.423 10.554 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -4.028 -3.020 12.189 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.639 -3.059 10.481 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.954 -4.497 11.873 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.938 -3.131 10.928 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.283 -0.838 9.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -9.268 -0.805 9.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -5.508 0.930 8.309 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.968 0.947 8.251 1.00 0.00 H new ATOM 1289 N SER A 84 -1.872 -5.248 11.980 1.00 0.00 N ATOM 1290 CA SER A 84 -0.467 -5.596 11.809 1.00 0.00 C ATOM 1291 C SER A 84 -0.301 -7.098 11.599 1.00 0.00 C ATOM 1292 O SER A 84 0.499 -7.536 10.771 1.00 0.00 O ATOM 1293 CB SER A 84 0.343 -5.147 13.026 1.00 0.00 C ATOM 1294 OG SER A 84 1.392 -4.272 12.647 1.00 0.00 O ATOM 0 H SER A 84 -2.112 -4.908 12.911 1.00 0.00 H new ATOM 0 HA SER A 84 -0.095 -5.080 10.924 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.313 -4.646 13.738 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.758 -6.019 13.532 1.00 0.00 H new ATOM 0 HG SER A 84 1.893 -3.998 13.443 1.00 0.00 H new ATOM 1300 N VAL A 85 -1.062 -7.882 12.354 1.00 0.00 N ATOM 1301 CA VAL A 85 -1.002 -9.336 12.252 1.00 0.00 C ATOM 1302 C VAL A 85 -2.161 -9.877 11.422 1.00 0.00 C ATOM 1303 O VAL A 85 -2.681 -10.958 11.695 1.00 0.00 O ATOM 1304 CB VAL A 85 -1.026 -9.998 13.642 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -2.430 -9.962 14.226 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -0.511 -11.427 13.560 1.00 0.00 C ATOM 0 H VAL A 85 -1.728 -7.535 13.044 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.061 -9.580 11.759 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.368 -9.436 14.305 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.428 -10.434 15.208 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.758 -8.927 14.322 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.112 -10.499 13.567 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.535 -11.880 14.551 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.142 -12.003 12.883 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.513 -11.424 13.187 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.560 -9.117 10.407 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.656 -9.521 9.536 1.00 0.00 C ATOM 1318 C ALA A 86 -3.139 -9.954 8.168 1.00 0.00 C ATOM 1319 O ALA A 86 -1.930 -10.021 7.942 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.659 -8.386 9.388 1.00 0.00 C ATOM 0 H ALA A 86 -2.140 -8.219 10.168 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.155 -10.375 9.994 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.472 -8.702 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.061 -8.125 10.367 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.163 -7.517 8.956 1.00 0.00 H new ATOM 1326 N THR A 87 -4.062 -10.249 7.258 1.00 0.00 N ATOM 1327 CA THR A 87 -3.699 -10.677 5.913 1.00 0.00 C ATOM 1328 C THR A 87 -4.120 -9.644 4.874 1.00 0.00 C ATOM 1329 O THR A 87 -5.286 -9.582 4.483 1.00 0.00 O ATOM 1330 CB THR A 87 -4.343 -12.032 5.562 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.327 -12.893 6.707 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.606 -12.699 4.410 1.00 0.00 C ATOM 0 H THR A 87 -5.066 -10.199 7.428 1.00 0.00 H new ATOM 0 HA THR A 87 -2.614 -10.783 5.897 1.00 0.00 H new ATOM 0 HB THR A 87 -5.374 -11.852 5.257 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.740 -13.752 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.079 -13.654 4.180 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.644 -12.054 3.532 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.567 -12.867 4.692 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.164 -8.834 4.430 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.436 -7.803 3.436 1.00 0.00 C ATOM 1342 C PHE A 88 -3.277 -8.354 2.023 1.00 0.00 C ATOM 1343 O PHE A 88 -2.233 -8.907 1.675 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.501 -6.609 3.640 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.028 -5.593 4.611 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.639 -5.992 5.789 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -2.912 -4.237 4.347 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.125 -5.059 6.686 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.396 -3.300 5.240 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.004 -3.712 6.410 1.00 0.00 C ATOM 0 H PHE A 88 -2.194 -8.872 4.743 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.467 -7.473 3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.535 -6.970 3.993 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.328 -6.125 2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.737 -7.045 6.009 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.438 -3.909 3.433 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.598 -5.383 7.601 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.299 -2.246 5.023 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.384 -2.981 7.108 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.318 -8.199 1.213 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.295 -8.684 -0.162 1.00 0.00 C ATOM 1362 C TYR A 89 -4.252 -7.521 -1.149 1.00 0.00 C ATOM 1363 O TYR A 89 -4.351 -6.356 -0.760 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.521 -9.556 -0.438 1.00 0.00 C ATOM 1365 CG TYR A 89 -5.759 -10.617 0.613 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -5.138 -11.857 0.529 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -6.602 -10.378 1.691 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -5.353 -12.829 1.487 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -6.822 -11.344 2.654 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.195 -12.568 2.547 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.411 -13.533 3.504 1.00 0.00 O ATOM 0 H TYR A 89 -5.188 -7.741 1.484 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.394 -9.283 -0.294 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.402 -8.918 -0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.402 -10.038 -1.408 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.476 -12.065 -0.299 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.094 -9.420 1.778 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.864 -13.788 1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -7.481 -11.142 3.486 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.029 -13.189 4.182 1.00 0.00 H new ATOM 1381 N LEU A 90 -4.105 -7.845 -2.429 1.00 0.00 N ATOM 1382 CA LEU A 90 -4.050 -6.829 -3.474 1.00 0.00 C ATOM 1383 C LEU A 90 -4.792 -7.292 -4.724 1.00 0.00 C ATOM 1384 O LEU A 90 -5.073 -8.479 -4.888 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.596 -6.505 -3.821 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.723 -6.012 -2.666 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -0.600 -6.998 -2.387 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -1.161 -4.632 -2.974 1.00 0.00 C ATOM 0 H LEU A 90 -4.022 -8.803 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.537 -5.929 -3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.136 -7.399 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.591 -5.746 -4.603 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.343 -5.938 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.010 -6.630 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.024 -7.966 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.020 -7.105 -3.277 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.542 -4.297 -2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.556 -4.679 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.981 -3.930 -3.122 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.105 -6.346 -5.604 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.814 -6.657 -6.840 1.00 0.00 C ATOM 1402 C PHE A 91 -5.672 -5.520 -7.848 1.00 0.00 C ATOM 1403 O PHE A 91 -5.277 -4.409 -7.495 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.294 -6.918 -6.552 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.637 -8.377 -6.454 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.395 -9.232 -7.517 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.203 -8.893 -5.299 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -7.709 -10.575 -7.430 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.519 -10.235 -5.206 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.273 -11.077 -6.273 1.00 0.00 C ATOM 0 H PHE A 91 -4.879 -5.359 -5.484 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.371 -7.556 -7.268 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.567 -6.425 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.895 -6.464 -7.340 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.956 -8.844 -8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.399 -8.239 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.514 -11.231 -8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.958 -10.625 -4.300 1.00 0.00 H new ATOM 0 HZ PHE A 91 -8.521 -12.126 -6.203 1.00 0.00 H new ATOM 1420 N ASP A 92 -5.998 -5.808 -9.103 1.00 0.00 N ATOM 1421 CA ASP A 92 -5.908 -4.811 -10.164 1.00 0.00 C ATOM 1422 C ASP A 92 -7.256 -4.630 -10.855 1.00 0.00 C ATOM 1423 O ASP A 92 -8.259 -5.215 -10.445 1.00 0.00 O ATOM 1424 CB ASP A 92 -4.847 -5.217 -11.187 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.451 -5.241 -10.595 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -3.280 -5.819 -9.501 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.530 -4.682 -11.226 1.00 0.00 O ATOM 0 H ASP A 92 -6.327 -6.723 -9.411 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.621 -3.861 -9.713 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.087 -6.203 -11.583 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.871 -4.522 -12.026 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.272 -3.817 -11.905 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.497 -3.559 -12.654 1.00 0.00 C ATOM 1434 C ASP A 93 -8.928 -4.797 -13.433 1.00 0.00 C ATOM 1435 O ASP A 93 -10.037 -4.854 -13.964 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.296 -2.383 -13.612 1.00 0.00 C ATOM 1437 CG ASP A 93 -9.315 -1.282 -13.397 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -10.445 -1.411 -13.913 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -8.983 -0.290 -12.714 1.00 0.00 O ATOM 0 H ASP A 93 -6.451 -3.325 -12.257 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.283 -3.308 -11.942 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.293 -1.977 -13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.362 -2.740 -14.640 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.044 -5.787 -13.498 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.334 -7.025 -14.211 1.00 0.00 C ATOM 1446 C ALA A 94 -8.697 -8.145 -13.241 1.00 0.00 C ATOM 1447 O ALA A 94 -8.895 -9.290 -13.646 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.145 -7.431 -15.068 1.00 0.00 C ATOM 0 H ALA A 94 -7.121 -5.756 -13.065 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.192 -6.849 -14.860 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.375 -8.357 -15.595 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.933 -6.645 -15.792 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.273 -7.583 -14.432 1.00 0.00 H new ATOM 1454 N GLY A 95 -8.782 -7.807 -11.958 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.120 -8.796 -10.951 1.00 0.00 C ATOM 1456 C GLY A 95 -7.995 -9.782 -10.707 1.00 0.00 C ATOM 1457 O GLY A 95 -8.240 -10.955 -10.427 1.00 0.00 O ATOM 0 H GLY A 95 -8.623 -6.866 -11.598 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.365 -8.290 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.013 -9.338 -11.263 1.00 0.00 H new ATOM 1461 N GLU A 96 -6.759 -9.307 -10.816 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.593 -10.157 -10.607 1.00 0.00 C ATOM 1463 C GLU A 96 -4.571 -9.469 -9.706 1.00 0.00 C ATOM 1464 O GLU A 96 -4.575 -8.246 -9.568 1.00 0.00 O ATOM 1465 CB GLU A 96 -4.948 -10.515 -11.948 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.363 -9.319 -12.680 1.00 0.00 C ATOM 1467 CD GLU A 96 -3.655 -9.709 -13.963 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -3.298 -10.898 -14.105 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.457 -8.827 -14.824 1.00 0.00 O ATOM 0 H GLU A 96 -6.539 -8.338 -11.048 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.926 -11.072 -10.116 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.159 -11.248 -11.778 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.694 -10.991 -12.585 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.161 -8.613 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.661 -8.804 -12.024 1.00 0.00 H new ATOM 1476 N GLU A 97 -3.698 -10.264 -9.096 1.00 0.00 N ATOM 1477 CA GLU A 97 -2.671 -9.731 -8.208 1.00 0.00 C ATOM 1478 C GLU A 97 -1.476 -9.217 -9.005 1.00 0.00 C ATOM 1479 O GLU A 97 -0.503 -9.938 -9.220 1.00 0.00 O ATOM 1480 CB GLU A 97 -2.215 -10.804 -7.218 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.617 -10.518 -5.781 1.00 0.00 C ATOM 1482 CD GLU A 97 -3.143 -11.747 -5.066 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -4.188 -12.281 -5.494 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -2.510 -12.176 -4.079 1.00 0.00 O ATOM 0 H GLU A 97 -3.681 -11.279 -9.200 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.102 -8.897 -7.655 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.633 -11.765 -7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.130 -10.898 -7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.756 -10.127 -5.238 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.381 -9.741 -5.769 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.557 -7.964 -9.440 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.483 -7.352 -10.215 1.00 0.00 C ATOM 1493 C ASN A 98 -0.065 -6.018 -9.605 1.00 0.00 C ATOM 1494 O ASN A 98 -0.730 -5.496 -8.709 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.925 -7.147 -11.665 1.00 0.00 C ATOM 1496 CG ASN A 98 -0.657 -8.364 -12.529 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.305 -9.475 -12.202 1.00 0.00 O flip ATOM 1498 ND2 ASN A 98 0.125 -8.305 -13.479 1.00 0.00 N flip ATOM 0 H ASN A 98 -2.355 -7.352 -9.269 1.00 0.00 H new ATOM 0 HA ASN A 98 0.374 -8.025 -10.196 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.990 -6.916 -11.688 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.403 -6.286 -12.083 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.601 -7.429 -13.694 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.296 -9.132 -14.051 1.00 0.00 H new ATOM 1505 N PHE A 99 1.041 -5.469 -10.097 1.00 0.00 N ATOM 1506 CA PHE A 99 1.549 -4.196 -9.601 1.00 0.00 C ATOM 1507 C PHE A 99 1.610 -3.161 -10.720 1.00 0.00 C ATOM 1508 O PHE A 99 2.677 -2.636 -11.037 1.00 0.00 O ATOM 1509 CB PHE A 99 2.938 -4.381 -8.986 1.00 0.00 C ATOM 1510 CG PHE A 99 3.853 -5.234 -9.818 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.837 -6.614 -9.694 1.00 0.00 C ATOM 1512 CD2 PHE A 99 4.727 -4.656 -10.723 1.00 0.00 C ATOM 1513 CE1 PHE A 99 4.678 -7.401 -10.458 1.00 0.00 C ATOM 1514 CE2 PHE A 99 5.571 -5.439 -11.490 1.00 0.00 C ATOM 1515 CZ PHE A 99 5.545 -6.813 -11.358 1.00 0.00 C ATOM 0 H PHE A 99 1.603 -5.886 -10.839 1.00 0.00 H new ATOM 0 HA PHE A 99 0.864 -3.835 -8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.397 -3.403 -8.843 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.833 -4.831 -7.999 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.160 -7.080 -8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 99 4.750 -3.582 -10.831 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.657 -8.476 -10.351 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.249 -4.976 -12.191 1.00 0.00 H new ATOM 0 HZ PHE A 99 6.201 -7.427 -11.957 1.00 0.00 H new ATOM 1525 N SER A 100 0.457 -2.874 -11.316 1.00 0.00 N ATOM 1526 CA SER A 100 0.378 -1.906 -12.403 1.00 0.00 C ATOM 1527 C SER A 100 0.375 -0.479 -11.862 1.00 0.00 C ATOM 1528 O SER A 100 0.634 -0.252 -10.680 1.00 0.00 O ATOM 1529 CB SER A 100 -0.879 -2.148 -13.241 1.00 0.00 C ATOM 1530 OG SER A 100 -0.813 -1.453 -14.474 1.00 0.00 O ATOM 0 H SER A 100 -0.436 -3.299 -11.064 1.00 0.00 H new ATOM 0 HA SER A 100 1.257 -2.035 -13.034 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.995 -3.216 -13.428 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.759 -1.824 -12.684 1.00 0.00 H new ATOM 0 HG SER A 100 -1.627 -1.626 -14.991 1.00 0.00 H new ATOM 1536 N SER A 101 0.079 0.478 -12.735 1.00 0.00 N ATOM 1537 CA SER A 101 0.046 1.883 -12.347 1.00 0.00 C ATOM 1538 C SER A 101 -0.808 2.082 -11.098 1.00 0.00 C ATOM 1539 O SER A 101 -0.421 2.799 -10.176 1.00 0.00 O ATOM 1540 CB SER A 101 -0.500 2.738 -13.493 1.00 0.00 C ATOM 1541 OG SER A 101 0.491 3.623 -13.985 1.00 0.00 O ATOM 0 H SER A 101 -0.141 0.306 -13.716 1.00 0.00 H new ATOM 0 HA SER A 101 1.066 2.196 -12.123 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.848 2.092 -14.299 1.00 0.00 H new ATOM 0 HB3 SER A 101 -1.362 3.308 -13.147 1.00 0.00 H new ATOM 0 HG SER A 101 0.118 4.157 -14.717 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.972 1.440 -11.077 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.882 1.546 -9.943 1.00 0.00 C ATOM 1549 C ARG A 102 -2.949 0.230 -9.174 1.00 0.00 C ATOM 1550 O ARG A 102 -2.810 -0.846 -9.754 1.00 0.00 O ATOM 1551 CB ARG A 102 -4.281 1.942 -10.420 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.340 1.862 -9.333 1.00 0.00 C ATOM 1553 CD ARG A 102 -6.723 2.186 -9.877 1.00 0.00 C ATOM 1554 NE ARG A 102 -6.716 3.387 -10.708 1.00 0.00 N ATOM 1555 CZ ARG A 102 -7.688 3.699 -11.558 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -8.740 2.902 -11.688 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.610 4.810 -12.279 1.00 0.00 N ATOM 0 H ARG A 102 -2.307 0.841 -11.832 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.501 2.318 -9.275 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -4.248 2.959 -10.810 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.571 1.293 -11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -5.343 0.862 -8.900 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.092 2.556 -8.530 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -7.089 1.342 -10.462 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -7.416 2.323 -9.047 1.00 0.00 H new ATOM 0 HE ARG A 102 -5.921 4.021 -10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -8.804 2.048 -11.135 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -9.485 3.144 -12.341 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -6.803 5.426 -12.181 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.357 5.048 -12.931 1.00 0.00 H new ATOM 1571 N MET A 103 -3.161 0.326 -7.866 1.00 0.00 N ATOM 1572 CA MET A 103 -3.246 -0.858 -7.017 1.00 0.00 C ATOM 1573 C MET A 103 -4.461 -0.782 -6.099 1.00 0.00 C ATOM 1574 O MET A 103 -4.860 0.301 -5.669 1.00 0.00 O ATOM 1575 CB MET A 103 -1.971 -1.008 -6.185 1.00 0.00 C ATOM 1576 CG MET A 103 -0.876 -1.793 -6.887 1.00 0.00 C ATOM 1577 SD MET A 103 0.641 -1.889 -5.917 1.00 0.00 S ATOM 1578 CE MET A 103 1.014 -3.637 -6.044 1.00 0.00 C ATOM 0 H MET A 103 -3.277 1.210 -7.371 1.00 0.00 H new ATOM 0 HA MET A 103 -3.354 -1.730 -7.662 1.00 0.00 H new ATOM 0 HB2 MET A 103 -1.592 -0.017 -5.934 1.00 0.00 H new ATOM 0 HB3 MET A 103 -2.216 -1.503 -5.245 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.234 -2.801 -7.095 1.00 0.00 H new ATOM 0 HG3 MET A 103 -0.659 -1.327 -7.848 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.030 -4.079 -5.048 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.251 -4.129 -6.647 1.00 0.00 H new ATOM 0 HE3 MET A 103 1.988 -3.768 -6.515 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.046 -1.937 -5.802 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.218 -2.000 -4.936 1.00 0.00 C ATOM 1590 C TYR A 104 -5.933 -2.841 -3.695 1.00 0.00 C ATOM 1591 O TYR A 104 -5.385 -3.940 -3.788 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.409 -2.583 -5.698 1.00 0.00 C ATOM 1593 CG TYR A 104 -7.988 -1.640 -6.729 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.189 -0.297 -6.436 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.334 -2.093 -7.996 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -8.718 0.567 -7.375 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -8.862 -1.236 -8.942 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.053 0.093 -8.626 1.00 0.00 C ATOM 1599 OH TYR A 104 -9.579 0.952 -9.564 1.00 0.00 O ATOM 0 H TYR A 104 -4.728 -2.842 -6.148 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.459 -0.986 -4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.098 -3.503 -6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.189 -2.853 -4.986 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.927 0.078 -5.458 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.188 -3.133 -8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -8.868 1.608 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.124 -1.604 -9.923 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.759 0.461 -10.393 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.309 -2.316 -2.534 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.095 -3.016 -1.273 1.00 0.00 C ATOM 1611 C CYS A 105 -7.374 -3.707 -0.811 1.00 0.00 C ATOM 1612 O CYS A 105 -8.283 -3.066 -0.285 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.612 -2.040 -0.199 1.00 0.00 C ATOM 1614 SG CYS A 105 -3.823 -2.057 0.062 1.00 0.00 S ATOM 0 H CYS A 105 -6.764 -1.408 -2.440 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.330 -3.776 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.919 -1.031 -0.475 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.108 -2.277 0.742 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.511 -1.198 0.986 1.00 0.00 H new ATOM 1620 N SER A 106 -7.437 -5.020 -1.013 1.00 0.00 N ATOM 1621 CA SER A 106 -8.607 -5.798 -0.622 1.00 0.00 C ATOM 1622 C SER A 106 -8.363 -6.520 0.699 1.00 0.00 C ATOM 1623 O SER A 106 -7.469 -7.361 0.803 1.00 0.00 O ATOM 1624 CB SER A 106 -8.960 -6.810 -1.713 1.00 0.00 C ATOM 1625 OG SER A 106 -7.798 -7.454 -2.207 1.00 0.00 O ATOM 0 H SER A 106 -6.692 -5.567 -1.445 1.00 0.00 H new ATOM 0 HA SER A 106 -9.443 -5.111 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.650 -7.554 -1.314 1.00 0.00 H new ATOM 0 HB3 SER A 106 -9.474 -6.304 -2.530 1.00 0.00 H new ATOM 0 HG SER A 106 -8.027 -8.360 -2.503 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.163 -6.187 1.705 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.034 -6.803 3.021 1.00 0.00 C ATOM 1633 C PHE A 107 -9.360 -8.292 2.959 1.00 0.00 C ATOM 1634 O PHE A 107 -9.027 -9.050 3.870 1.00 0.00 O ATOM 1635 CB PHE A 107 -9.957 -6.109 4.025 1.00 0.00 C ATOM 1636 CG PHE A 107 -9.602 -6.387 5.458 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -10.076 -7.523 6.095 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -8.793 -5.514 6.167 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -9.751 -7.780 7.413 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -8.465 -5.766 7.485 1.00 0.00 C ATOM 1641 CZ PHE A 107 -8.943 -6.902 8.109 1.00 0.00 C ATOM 0 H PHE A 107 -9.908 -5.494 1.635 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.001 -6.689 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.924 -5.033 3.853 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.983 -6.429 3.845 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -10.706 -8.215 5.555 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -8.414 -4.626 5.683 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.129 -8.667 7.899 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -7.836 -5.076 8.027 1.00 0.00 H new ATOM 0 HZ PHE A 107 -8.686 -7.103 9.138 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.012 -8.704 1.878 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.386 -10.102 1.697 1.00 0.00 C ATOM 1653 C TYR A 108 -9.493 -10.774 0.658 1.00 0.00 C ATOM 1654 O TYR A 108 -8.927 -10.128 -0.223 1.00 0.00 O ATOM 1655 CB TYR A 108 -11.852 -10.209 1.272 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.126 -9.643 -0.103 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.240 -8.273 -0.302 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.270 -10.479 -1.204 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.492 -7.751 -1.557 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -12.520 -9.966 -2.462 1.00 0.00 C ATOM 1661 CZ TYR A 108 -12.631 -8.602 -2.633 1.00 0.00 C ATOM 1662 OH TYR A 108 -12.880 -8.087 -3.885 1.00 0.00 O ATOM 0 H TYR A 108 -10.293 -8.090 1.113 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.253 -10.614 2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.152 -11.257 1.291 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.472 -9.687 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.130 -7.604 0.539 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.185 -11.548 -1.074 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.579 -6.683 -1.694 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -12.628 -10.630 -3.307 1.00 0.00 H new ATOM 0 HH TYR A 108 -12.950 -8.820 -4.532 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.364 -12.105 0.764 1.00 0.00 N ATOM 1673 CA PRO A 109 -8.543 -12.896 -0.157 1.00 0.00 C ATOM 1674 C PRO A 109 -9.146 -12.968 -1.556 1.00 0.00 C ATOM 1675 O PRO A 109 -10.300 -12.602 -1.780 1.00 0.00 O ATOM 1676 CB PRO A 109 -8.523 -14.284 0.488 1.00 0.00 C ATOM 1677 CG PRO A 109 -9.770 -14.342 1.301 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.010 -12.940 1.791 1.00 0.00 C ATOM 0 HA PRO A 109 -7.553 -12.461 -0.296 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.505 -15.071 -0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.638 -14.419 1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.610 -14.696 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.660 -15.034 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.074 -12.721 1.876 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.571 -12.778 2.775 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.349 -13.449 -2.521 1.00 0.00 N ATOM 1687 CA PRO A 110 -8.783 -13.581 -3.915 1.00 0.00 C ATOM 1688 C PRO A 110 -9.828 -14.677 -4.095 1.00 0.00 C ATOM 1689 O PRO A 110 -10.824 -14.489 -4.794 1.00 0.00 O ATOM 1690 CB PRO A 110 -7.494 -13.944 -4.656 1.00 0.00 C ATOM 1691 CG PRO A 110 -6.633 -14.587 -3.624 1.00 0.00 C ATOM 1692 CD PRO A 110 -6.961 -13.904 -2.326 1.00 0.00 C ATOM 0 HA PRO A 110 -9.259 -12.671 -4.281 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -7.692 -14.623 -5.486 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.016 -13.059 -5.075 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.831 -15.657 -3.563 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -5.577 -14.472 -3.870 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.877 -14.587 -1.480 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.288 -13.069 -2.130 1.00 0.00 H new ATOM 1700 N ASP A 111 -9.595 -15.820 -3.461 1.00 0.00 N ATOM 1701 CA ASP A 111 -10.517 -16.946 -3.551 1.00 0.00 C ATOM 1702 C ASP A 111 -10.012 -18.129 -2.730 1.00 0.00 C ATOM 1703 O ASP A 111 -10.800 -18.879 -2.155 1.00 0.00 O ATOM 1704 CB ASP A 111 -10.704 -17.365 -5.010 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.123 -17.148 -5.497 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -12.786 -16.216 -4.997 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.570 -17.910 -6.380 1.00 0.00 O ATOM 0 H ASP A 111 -8.775 -15.992 -2.879 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.478 -16.629 -3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.017 -16.799 -5.639 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -10.442 -18.417 -5.119 1.00 0.00 H new ATOM 1712 N GLU A 112 -8.693 -18.289 -2.682 1.00 0.00 N ATOM 1713 CA GLU A 112 -8.084 -19.382 -1.933 1.00 0.00 C ATOM 1714 C GLU A 112 -8.609 -19.419 -0.500 1.00 0.00 C ATOM 1715 O GLU A 112 -8.974 -18.388 0.064 1.00 0.00 O ATOM 1716 CB GLU A 112 -6.561 -19.239 -1.926 1.00 0.00 C ATOM 1717 CG GLU A 112 -5.832 -20.467 -2.444 1.00 0.00 C ATOM 1718 CD GLU A 112 -4.851 -20.140 -3.553 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -3.902 -19.370 -3.296 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -5.033 -20.652 -4.677 1.00 0.00 O ATOM 0 H GLU A 112 -8.027 -17.676 -3.152 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.352 -20.318 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.283 -18.378 -2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.229 -19.032 -0.909 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.298 -20.942 -1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.561 -21.190 -2.811 1.00 0.00 H new TER 1727 GLU A 112