USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= 0.927 K(o=0.84,f=-5.6!) USER MOD Set 1.2: B 95 THR OG1 : rot 180:sc= -0.0861 USER MOD Set 2.1: A 23 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 ASN : amide:sc= -0.781 K(o=-0.5,f=-4.4!) USER MOD Set 3.2: A 36 LYS NZ :NH3+ 172:sc= 0.285 (180deg=-0.139) USER MOD Set 4.1: A 8 GLN : amide:sc= -0.577 X(o=-0.59,f=-0.59) USER MOD Set 4.2: A 54 LYS NZ :NH3+ 168:sc=-0.00889 (180deg=-0.115) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0702 USER MOD Single : A 3 HIS : no HD1:sc= -0.827 K(o=-0.83,f=-0.14) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 35:sc= 0.0436 USER MOD Single : A 14 GLN : amide:sc= -0.0389 X(o=-0.039,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.276 USER MOD Single : A 28 ASN : amide:sc= -3.29! K(o=-3.3!,f=-1.4) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 MET CE :methyl -141:sc= -0.146 (180deg=-2.32) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3! C(o=-3!,f=-9.2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc=-0.00903 X(o=-0.009,f=-0.0022) USER MOD Single : A 63 SER OG : rot 180:sc=-0.00669 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0102) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0.0546 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -170:sc= 0 USER MOD Single : A 83 GLN : amide:sc=-0.00907 X(o=-0.0091,f=-0.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.056 3.273 -20.353 1.00 0.00 N ATOM 2 CA GLY A 1 1.318 3.845 -19.807 1.00 0.00 C ATOM 3 C GLY A 1 2.355 4.085 -20.885 1.00 0.00 C ATOM 4 O GLY A 1 2.794 3.147 -21.553 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.622 3.126 -19.578 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.350 3.930 -21.049 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.258 2.362 -20.813 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.099 4.785 -19.301 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.727 3.167 -19.057 1.00 0.00 H new ATOM 10 N SER A 2 2.741 5.345 -21.056 1.00 0.00 N ATOM 11 CA SER A 2 3.728 5.716 -22.065 1.00 0.00 C ATOM 12 C SER A 2 5.145 5.372 -21.611 1.00 0.00 C ATOM 13 O SER A 2 5.530 5.643 -20.471 1.00 0.00 O ATOM 14 CB SER A 2 3.626 7.209 -22.389 1.00 0.00 C ATOM 15 OG SER A 2 3.194 7.955 -21.263 1.00 0.00 O ATOM 0 H SER A 2 2.385 6.128 -20.508 1.00 0.00 H new ATOM 0 HA SER A 2 3.514 5.141 -22.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.596 7.578 -22.721 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.929 7.357 -23.214 1.00 0.00 H new ATOM 0 HG SER A 2 3.140 8.904 -21.501 1.00 0.00 H new ATOM 21 N HIS A 3 5.913 4.770 -22.520 1.00 0.00 N ATOM 22 CA HIS A 3 7.295 4.379 -22.236 1.00 0.00 C ATOM 23 C HIS A 3 8.219 5.599 -22.182 1.00 0.00 C ATOM 24 O HIS A 3 7.827 6.703 -22.565 1.00 0.00 O ATOM 25 CB HIS A 3 7.801 3.384 -23.294 1.00 0.00 C ATOM 26 CG HIS A 3 7.676 3.866 -24.713 1.00 0.00 C ATOM 27 ND1 HIS A 3 7.731 3.017 -25.800 1.00 0.00 N ATOM 28 CD2 HIS A 3 7.493 5.110 -25.224 1.00 0.00 C ATOM 29 CE1 HIS A 3 7.587 3.718 -26.913 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.440 4.989 -26.590 1.00 0.00 N ATOM 0 H HIS A 3 5.600 4.542 -23.463 1.00 0.00 H new ATOM 0 HA HIS A 3 7.308 3.898 -21.258 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.848 3.158 -23.091 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.248 2.450 -23.191 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.405 6.027 -24.659 1.00 0.00 H new ATOM 0 HE1 HIS A 3 7.589 3.318 -27.916 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.308 5.757 -27.249 1.00 0.00 H new ATOM 39 N MET A 4 9.451 5.382 -21.703 1.00 0.00 N ATOM 40 CA MET A 4 10.454 6.448 -21.588 1.00 0.00 C ATOM 41 C MET A 4 10.137 7.386 -20.423 1.00 0.00 C ATOM 42 O MET A 4 8.971 7.641 -20.118 1.00 0.00 O ATOM 43 CB MET A 4 10.550 7.252 -22.890 1.00 0.00 C ATOM 44 CG MET A 4 11.952 7.301 -23.475 1.00 0.00 C ATOM 45 SD MET A 4 12.213 6.063 -24.760 1.00 0.00 S ATOM 46 CE MET A 4 13.941 6.332 -25.146 1.00 0.00 C ATOM 0 H MET A 4 9.779 4.469 -21.386 1.00 0.00 H new ATOM 0 HA MET A 4 11.415 5.970 -21.396 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.874 6.817 -23.626 1.00 0.00 H new ATOM 0 HB3 MET A 4 10.207 8.270 -22.704 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.134 8.293 -23.889 1.00 0.00 H new ATOM 0 HG3 MET A 4 12.680 7.150 -22.678 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.252 5.638 -25.927 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.081 7.356 -25.493 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.543 6.166 -24.253 1.00 0.00 H new ATOM 56 N GLY A 5 11.187 7.897 -19.777 1.00 0.00 N ATOM 57 CA GLY A 5 11.003 8.804 -18.656 1.00 0.00 C ATOM 58 C GLY A 5 10.752 8.078 -17.345 1.00 0.00 C ATOM 59 O GLY A 5 11.653 7.967 -16.508 1.00 0.00 O ATOM 0 H GLY A 5 12.160 7.698 -20.011 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.888 9.432 -18.554 1.00 0.00 H new ATOM 0 HA3 GLY A 5 10.163 9.467 -18.865 1.00 0.00 H new ATOM 63 N LEU A 6 9.524 7.588 -17.168 1.00 0.00 N ATOM 64 CA LEU A 6 9.140 6.869 -15.954 1.00 0.00 C ATOM 65 C LEU A 6 8.560 5.496 -16.294 1.00 0.00 C ATOM 66 O LEU A 6 8.076 5.278 -17.406 1.00 0.00 O ATOM 67 CB LEU A 6 8.113 7.679 -15.156 1.00 0.00 C ATOM 68 CG LEU A 6 8.648 8.961 -14.508 1.00 0.00 C ATOM 69 CD1 LEU A 6 7.921 10.183 -15.055 1.00 0.00 C ATOM 70 CD2 LEU A 6 8.510 8.892 -12.993 1.00 0.00 C ATOM 0 H LEU A 6 8.775 7.677 -17.855 1.00 0.00 H new ATOM 0 HA LEU A 6 10.036 6.730 -15.349 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.289 7.943 -15.819 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.701 7.041 -14.374 1.00 0.00 H new ATOM 0 HG LEU A 6 9.706 9.053 -14.754 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.315 11.083 -14.583 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.071 10.244 -16.133 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.855 10.098 -14.842 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.895 9.811 -12.550 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.459 8.774 -12.728 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.077 8.042 -12.614 1.00 0.00 H new ATOM 82 N VAL A 7 8.610 4.576 -15.328 1.00 0.00 N ATOM 83 CA VAL A 7 8.085 3.226 -15.525 1.00 0.00 C ATOM 84 C VAL A 7 7.146 2.817 -14.385 1.00 0.00 C ATOM 85 O VAL A 7 7.517 2.862 -13.209 1.00 0.00 O ATOM 86 CB VAL A 7 9.228 2.190 -15.664 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.075 2.132 -14.400 1.00 0.00 C ATOM 88 CG2 VAL A 7 8.671 0.814 -16.010 1.00 0.00 C ATOM 0 H VAL A 7 9.008 4.742 -14.404 1.00 0.00 H new ATOM 0 HA VAL A 7 7.515 3.240 -16.454 1.00 0.00 H new ATOM 0 HB VAL A 7 9.874 2.511 -16.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.869 1.396 -14.528 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.515 3.111 -14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.448 1.847 -13.555 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.491 0.102 -16.103 1.00 0.00 H new ATOM 0 HG22 VAL A 7 7.994 0.487 -15.221 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.129 0.868 -16.954 1.00 0.00 H new ATOM 98 N GLN A 8 5.926 2.418 -14.749 1.00 0.00 N ATOM 99 CA GLN A 8 4.921 1.997 -13.774 1.00 0.00 C ATOM 100 C GLN A 8 4.799 0.470 -13.745 1.00 0.00 C ATOM 101 O GLN A 8 4.896 -0.187 -14.784 1.00 0.00 O ATOM 102 CB GLN A 8 3.570 2.634 -14.119 1.00 0.00 C ATOM 103 CG GLN A 8 2.498 2.434 -13.059 1.00 0.00 C ATOM 104 CD GLN A 8 1.096 2.520 -13.634 1.00 0.00 C ATOM 105 OE1 GLN A 8 0.663 1.638 -14.374 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.379 3.588 -13.299 1.00 0.00 N ATOM 0 H GLN A 8 5.610 2.378 -15.718 1.00 0.00 H new ATOM 0 HA GLN A 8 5.231 2.330 -12.784 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.715 3.703 -14.276 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.215 2.218 -15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.635 1.462 -12.586 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.616 3.187 -12.280 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.777 4.296 -12.682 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.569 3.699 -13.659 1.00 0.00 H new ATOM 115 N ARG A 9 4.590 -0.087 -12.550 1.00 0.00 N ATOM 116 CA ARG A 9 4.463 -1.539 -12.382 1.00 0.00 C ATOM 117 C ARG A 9 3.450 -1.892 -11.289 1.00 0.00 C ATOM 118 O ARG A 9 3.281 -1.146 -10.326 1.00 0.00 O ATOM 119 CB ARG A 9 5.824 -2.150 -12.036 1.00 0.00 C ATOM 120 CG ARG A 9 6.482 -1.519 -10.818 1.00 0.00 C ATOM 121 CD ARG A 9 7.676 -2.329 -10.341 1.00 0.00 C ATOM 122 NE ARG A 9 8.937 -1.820 -10.880 1.00 0.00 N ATOM 123 CZ ARG A 9 10.079 -2.513 -10.894 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.125 -3.745 -10.391 1.00 0.00 N ATOM 125 NH2 ARG A 9 11.176 -1.972 -11.410 1.00 0.00 N ATOM 0 H ARG A 9 4.505 0.444 -11.683 1.00 0.00 H new ATOM 0 HA ARG A 9 4.104 -1.951 -13.325 1.00 0.00 H new ATOM 0 HB2 ARG A 9 5.699 -3.218 -11.859 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.489 -2.045 -12.893 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.803 -0.506 -11.062 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.753 -1.437 -10.012 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.714 -2.311 -9.252 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.549 -3.370 -10.638 1.00 0.00 H new ATOM 0 HE ARG A 9 8.945 -0.877 -11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.285 -4.165 -9.992 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.000 -4.269 -10.405 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.146 -1.028 -11.795 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.048 -2.500 -11.421 1.00 0.00 H new ATOM 139 N CYS A 10 2.785 -3.039 -11.440 1.00 0.00 N ATOM 140 CA CYS A 10 1.796 -3.488 -10.458 1.00 0.00 C ATOM 141 C CYS A 10 2.369 -4.585 -9.560 1.00 0.00 C ATOM 142 O CYS A 10 2.849 -5.612 -10.045 1.00 0.00 O ATOM 143 CB CYS A 10 0.529 -3.993 -11.158 1.00 0.00 C ATOM 144 SG CYS A 10 0.827 -5.251 -12.424 1.00 0.00 S ATOM 0 H CYS A 10 2.913 -3.672 -12.230 1.00 0.00 H new ATOM 0 HA CYS A 10 1.537 -2.633 -9.834 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.147 -4.403 -10.408 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.020 -3.146 -11.617 1.00 0.00 H new ATOM 0 HG CYS A 10 1.813 -6.013 -12.055 1.00 0.00 H new ATOM 150 N VAL A 11 2.313 -4.357 -8.249 1.00 0.00 N ATOM 151 CA VAL A 11 2.822 -5.317 -7.273 1.00 0.00 C ATOM 152 C VAL A 11 1.677 -5.979 -6.505 1.00 0.00 C ATOM 153 O VAL A 11 0.812 -5.296 -5.956 1.00 0.00 O ATOM 154 CB VAL A 11 3.779 -4.645 -6.265 1.00 0.00 C ATOM 155 CG1 VAL A 11 4.454 -5.688 -5.386 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.817 -3.795 -6.990 1.00 0.00 C ATOM 0 H VAL A 11 1.918 -3.511 -7.837 1.00 0.00 H new ATOM 0 HA VAL A 11 3.370 -6.075 -7.832 1.00 0.00 H new ATOM 0 HB VAL A 11 3.191 -3.989 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.124 -5.193 -4.683 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.696 -6.245 -4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.026 -6.375 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.481 -3.331 -6.261 1.00 0.00 H new ATOM 0 HG22 VAL A 11 5.400 -4.426 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 11 4.313 -3.020 -7.567 1.00 0.00 H new ATOM 166 N ILE A 12 1.682 -7.311 -6.466 1.00 0.00 N ATOM 167 CA ILE A 12 0.648 -8.065 -5.761 1.00 0.00 C ATOM 168 C ILE A 12 1.132 -8.476 -4.370 1.00 0.00 C ATOM 169 O ILE A 12 2.024 -9.316 -4.239 1.00 0.00 O ATOM 170 CB ILE A 12 0.230 -9.328 -6.550 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.106 -8.972 -8.004 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.959 -10.005 -5.877 1.00 0.00 C ATOM 173 CD1 ILE A 12 1.058 -9.148 -8.959 1.00 0.00 C ATOM 0 H ILE A 12 2.392 -7.890 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.219 -7.411 -5.666 1.00 0.00 H new ATOM 0 HB ILE A 12 1.069 -10.024 -6.554 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.936 -9.594 -8.339 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.446 -7.937 -8.046 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.241 -10.892 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.686 -10.295 -4.862 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.800 -9.313 -5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.745 -8.878 -9.968 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.882 -8.505 -8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.384 -10.188 -8.947 1.00 0.00 H new ATOM 185 N ILE A 13 0.540 -7.879 -3.336 1.00 0.00 N ATOM 186 CA ILE A 13 0.914 -8.185 -1.955 1.00 0.00 C ATOM 187 C ILE A 13 -0.044 -9.205 -1.339 1.00 0.00 C ATOM 188 O ILE A 13 -1.263 -9.069 -1.449 1.00 0.00 O ATOM 189 CB ILE A 13 0.939 -6.915 -1.072 1.00 0.00 C ATOM 190 CG1 ILE A 13 1.724 -5.790 -1.760 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.544 -7.231 0.292 1.00 0.00 C ATOM 192 CD1 ILE A 13 1.741 -4.493 -0.976 1.00 0.00 C ATOM 0 H ILE A 13 -0.199 -7.182 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 13 1.919 -8.606 -1.990 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.087 -6.576 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.750 -6.121 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.291 -5.605 -2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.555 -6.328 0.903 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.946 -7.996 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.563 -7.594 0.163 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.314 -3.744 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.720 -4.138 -0.837 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.202 -4.662 -0.003 1.00 0.00 H new ATOM 204 N GLN A 14 0.521 -10.226 -0.692 1.00 0.00 N ATOM 205 CA GLN A 14 -0.268 -11.281 -0.055 1.00 0.00 C ATOM 206 C GLN A 14 -0.288 -11.112 1.466 1.00 0.00 C ATOM 207 O GLN A 14 0.455 -10.299 2.021 1.00 0.00 O ATOM 208 CB GLN A 14 0.304 -12.655 -0.420 1.00 0.00 C ATOM 209 CG GLN A 14 -0.396 -13.313 -1.599 1.00 0.00 C ATOM 210 CD GLN A 14 0.398 -14.470 -2.180 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.063 -15.610 -2.188 1.00 0.00 O ATOM 212 NE2 GLN A 14 1.601 -14.181 -2.668 1.00 0.00 N ATOM 0 H GLN A 14 1.529 -10.344 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.292 -11.207 -0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.364 -12.548 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.231 -13.311 0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.375 -13.673 -1.281 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.567 -12.568 -2.376 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.945 -13.221 -2.641 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.180 -14.919 -3.069 1.00 0.00 H new ATOM 221 N LYS A 15 -1.144 -11.886 2.135 1.00 0.00 N ATOM 222 CA LYS A 15 -1.261 -11.827 3.592 1.00 0.00 C ATOM 223 C LYS A 15 -0.380 -12.885 4.255 1.00 0.00 C ATOM 224 O LYS A 15 -0.328 -14.032 3.806 1.00 0.00 O ATOM 225 CB LYS A 15 -2.718 -12.023 4.019 1.00 0.00 C ATOM 226 CG LYS A 15 -3.010 -11.542 5.433 1.00 0.00 C ATOM 227 CD LYS A 15 -3.102 -12.703 6.413 1.00 0.00 C ATOM 228 CE LYS A 15 -3.850 -12.313 7.681 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.595 -13.463 8.267 1.00 0.00 N ATOM 0 H LYS A 15 -1.766 -12.561 1.691 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.923 -10.843 3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.366 -11.491 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.970 -13.081 3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.226 -10.856 5.754 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.946 -10.983 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.608 -13.542 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.099 -13.041 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.142 -11.928 8.415 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.547 -11.506 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.090 -13.154 9.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.289 -13.815 7.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.927 -14.224 8.506 1.00 0.00 H new ATOM 243 N ASP A 16 0.307 -12.488 5.326 1.00 0.00 N ATOM 244 CA ASP A 16 1.189 -13.395 6.058 1.00 0.00 C ATOM 245 C ASP A 16 0.890 -13.366 7.556 1.00 0.00 C ATOM 246 O ASP A 16 0.009 -12.632 8.009 1.00 0.00 O ATOM 247 CB ASP A 16 2.653 -13.012 5.817 1.00 0.00 C ATOM 248 CG ASP A 16 3.357 -13.956 4.860 1.00 0.00 C ATOM 249 OD1 ASP A 16 3.158 -15.184 4.979 1.00 0.00 O ATOM 250 OD2 ASP A 16 4.106 -13.465 3.990 1.00 0.00 O ATOM 0 H ASP A 16 0.269 -11.542 5.706 1.00 0.00 H new ATOM 0 HA ASP A 16 1.011 -14.406 5.692 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.698 -11.998 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 16 3.184 -13.005 6.769 1.00 0.00 H new ATOM 255 N ASP A 17 1.640 -14.161 8.322 1.00 0.00 N ATOM 256 CA ASP A 17 1.467 -14.217 9.773 1.00 0.00 C ATOM 257 C ASP A 17 1.674 -12.839 10.399 1.00 0.00 C ATOM 258 O ASP A 17 1.031 -12.496 11.392 1.00 0.00 O ATOM 259 CB ASP A 17 2.444 -15.222 10.391 1.00 0.00 C ATOM 260 CG ASP A 17 1.837 -15.970 11.561 1.00 0.00 C ATOM 261 OD1 ASP A 17 0.739 -16.545 11.396 1.00 0.00 O ATOM 262 OD2 ASP A 17 2.456 -15.982 12.645 1.00 0.00 O ATOM 0 H ASP A 17 2.372 -14.774 7.961 1.00 0.00 H new ATOM 0 HA ASP A 17 0.447 -14.542 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.757 -15.936 9.629 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.340 -14.697 10.724 1.00 0.00 H new ATOM 267 N ASN A 18 2.576 -12.053 9.808 1.00 0.00 N ATOM 268 CA ASN A 18 2.871 -10.708 10.298 1.00 0.00 C ATOM 269 C ASN A 18 2.190 -9.629 9.439 1.00 0.00 C ATOM 270 O ASN A 18 2.521 -8.445 9.547 1.00 0.00 O ATOM 271 CB ASN A 18 4.388 -10.481 10.331 1.00 0.00 C ATOM 272 CG ASN A 18 5.033 -10.606 8.960 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.085 -9.640 8.200 1.00 0.00 O ATOM 274 ND2 ASN A 18 5.530 -11.797 8.636 1.00 0.00 N ATOM 0 H ASN A 18 3.116 -12.327 8.987 1.00 0.00 H new ATOM 0 HA ASN A 18 2.472 -10.626 11.309 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.594 -9.490 10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.844 -11.202 11.009 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.975 -11.934 7.728 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.466 -12.573 9.295 1.00 0.00 H new ATOM 281 N GLY A 19 1.237 -10.038 8.591 1.00 0.00 N ATOM 282 CA GLY A 19 0.533 -9.090 7.740 1.00 0.00 C ATOM 283 C GLY A 19 1.335 -8.690 6.511 1.00 0.00 C ATOM 284 O GLY A 19 2.259 -9.401 6.107 1.00 0.00 O ATOM 0 H GLY A 19 0.944 -11.009 8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.414 -9.527 7.423 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.294 -8.197 8.318 1.00 0.00 H new ATOM 288 N PHE A 20 0.978 -7.548 5.921 1.00 0.00 N ATOM 289 CA PHE A 20 1.666 -7.038 4.732 1.00 0.00 C ATOM 290 C PHE A 20 3.107 -6.651 5.061 1.00 0.00 C ATOM 291 O PHE A 20 4.041 -7.036 4.353 1.00 0.00 O ATOM 292 CB PHE A 20 0.924 -5.821 4.163 1.00 0.00 C ATOM 293 CG PHE A 20 -0.261 -6.165 3.300 1.00 0.00 C ATOM 294 CD1 PHE A 20 -1.179 -7.131 3.691 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.458 -5.515 2.092 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.266 -7.438 2.893 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.542 -5.818 1.292 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.447 -6.782 1.692 1.00 0.00 C ATOM 0 H PHE A 20 0.214 -6.957 6.248 1.00 0.00 H new ATOM 0 HA PHE A 20 1.677 -7.832 3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.587 -5.196 4.990 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.624 -5.225 3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.042 -7.648 4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.246 -4.761 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.973 -8.191 3.209 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.682 -5.302 0.354 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.294 -7.022 1.067 1.00 0.00 H new ATOM 308 N GLY A 21 3.277 -5.886 6.143 1.00 0.00 N ATOM 309 CA GLY A 21 4.601 -5.456 6.560 1.00 0.00 C ATOM 310 C GLY A 21 5.197 -4.400 5.647 1.00 0.00 C ATOM 311 O GLY A 21 6.243 -4.623 5.037 1.00 0.00 O ATOM 0 H GLY A 21 2.516 -5.557 6.738 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.546 -5.062 7.575 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.265 -6.320 6.589 1.00 0.00 H new ATOM 315 N LEU A 22 4.531 -3.248 5.549 1.00 0.00 N ATOM 316 CA LEU A 22 5.012 -2.155 4.700 1.00 0.00 C ATOM 317 C LEU A 22 4.600 -0.791 5.256 1.00 0.00 C ATOM 318 O LEU A 22 3.539 -0.654 5.870 1.00 0.00 O ATOM 319 CB LEU A 22 4.489 -2.316 3.266 1.00 0.00 C ATOM 320 CG LEU A 22 3.052 -2.832 3.142 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.055 -1.705 3.367 1.00 0.00 C ATOM 322 CD2 LEU A 22 2.835 -3.478 1.781 1.00 0.00 C ATOM 0 H LEU A 22 3.662 -3.048 6.044 1.00 0.00 H new ATOM 0 HA LEU A 22 6.101 -2.202 4.690 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.555 -1.351 2.763 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.149 -2.999 2.732 1.00 0.00 H new ATOM 0 HG LEU A 22 2.890 -3.587 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.041 -2.093 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.195 -1.289 4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.214 -0.924 2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.809 -3.839 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.017 -2.743 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.523 -4.315 1.661 1.00 0.00 H new ATOM 334 N THR A 23 5.446 0.215 5.027 1.00 0.00 N ATOM 335 CA THR A 23 5.177 1.575 5.495 1.00 0.00 C ATOM 336 C THR A 23 4.942 2.519 4.315 1.00 0.00 C ATOM 337 O THR A 23 5.801 2.657 3.442 1.00 0.00 O ATOM 338 CB THR A 23 6.340 2.093 6.350 1.00 0.00 C ATOM 339 OG1 THR A 23 6.939 1.040 7.091 1.00 0.00 O ATOM 340 CG2 THR A 23 5.929 3.169 7.332 1.00 0.00 C ATOM 0 H THR A 23 6.325 0.113 4.519 1.00 0.00 H new ATOM 0 HA THR A 23 4.275 1.546 6.106 1.00 0.00 H new ATOM 0 HB THR A 23 7.046 2.521 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.679 1.396 7.626 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.799 3.491 7.904 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.517 4.020 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.174 2.773 8.011 1.00 0.00 H new ATOM 348 N VAL A 24 3.772 3.160 4.292 1.00 0.00 N ATOM 349 CA VAL A 24 3.423 4.087 3.216 1.00 0.00 C ATOM 350 C VAL A 24 3.180 5.504 3.740 1.00 0.00 C ATOM 351 O VAL A 24 2.764 5.694 4.886 1.00 0.00 O ATOM 352 CB VAL A 24 2.170 3.619 2.446 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.504 2.429 1.558 1.00 0.00 C ATOM 354 CG2 VAL A 24 1.039 3.277 3.409 1.00 0.00 C ATOM 0 H VAL A 24 3.051 3.054 5.006 1.00 0.00 H new ATOM 0 HA VAL A 24 4.278 4.100 2.540 1.00 0.00 H new ATOM 0 HB VAL A 24 1.833 4.437 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.609 2.112 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.274 2.715 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.869 1.607 2.174 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.166 2.950 2.844 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.359 2.478 4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.781 4.159 3.996 1.00 0.00 H new ATOM 364 N SER A 25 3.442 6.492 2.884 1.00 0.00 N ATOM 365 CA SER A 25 3.256 7.898 3.233 1.00 0.00 C ATOM 366 C SER A 25 2.649 8.667 2.059 1.00 0.00 C ATOM 367 O SER A 25 3.110 8.545 0.923 1.00 0.00 O ATOM 368 CB SER A 25 4.593 8.527 3.627 1.00 0.00 C ATOM 369 OG SER A 25 4.796 8.461 5.027 1.00 0.00 O ATOM 0 H SER A 25 3.787 6.341 1.936 1.00 0.00 H new ATOM 0 HA SER A 25 2.572 7.953 4.080 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.405 8.012 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.619 9.567 3.302 1.00 0.00 H new ATOM 0 HG SER A 25 5.658 8.868 5.252 1.00 0.00 H new ATOM 375 N GLY A 26 1.611 9.454 2.342 1.00 0.00 N ATOM 376 CA GLY A 26 0.948 10.228 1.304 1.00 0.00 C ATOM 377 C GLY A 26 -0.399 9.642 0.925 1.00 0.00 C ATOM 378 O GLY A 26 -0.780 8.587 1.436 1.00 0.00 O ATOM 0 H GLY A 26 1.217 9.569 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.812 11.253 1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.586 10.270 0.421 1.00 0.00 H new ATOM 382 N ASP A 27 -1.125 10.320 0.033 1.00 0.00 N ATOM 383 CA ASP A 27 -2.435 9.835 -0.396 1.00 0.00 C ATOM 384 C ASP A 27 -2.490 9.653 -1.909 1.00 0.00 C ATOM 385 O ASP A 27 -2.363 8.532 -2.389 1.00 0.00 O ATOM 386 CB ASP A 27 -3.553 10.774 0.082 1.00 0.00 C ATOM 387 CG ASP A 27 -4.577 10.072 0.963 1.00 0.00 C ATOM 388 OD1 ASP A 27 -4.207 9.109 1.670 1.00 0.00 O ATOM 389 OD2 ASP A 27 -5.753 10.491 0.948 1.00 0.00 O ATOM 0 H ASP A 27 -0.831 11.195 -0.401 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.592 8.859 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.113 11.604 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.058 11.201 -0.785 1.00 0.00 H new ATOM 394 N ASN A 28 -2.666 10.744 -2.664 1.00 0.00 N ATOM 395 CA ASN A 28 -2.714 10.643 -4.126 1.00 0.00 C ATOM 396 C ASN A 28 -1.515 9.832 -4.617 1.00 0.00 C ATOM 397 O ASN A 28 -1.679 8.747 -5.173 1.00 0.00 O ATOM 398 CB ASN A 28 -2.735 12.030 -4.780 1.00 0.00 C ATOM 399 CG ASN A 28 -4.053 12.326 -5.468 1.00 0.00 C ATOM 400 OD1 ASN A 28 -5.096 12.409 -4.822 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.013 12.486 -6.786 1.00 0.00 N ATOM 0 H ASN A 28 -2.776 11.689 -2.296 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.635 10.135 -4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.546 12.789 -4.021 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.926 12.098 -5.507 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.870 12.686 -7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.125 12.409 -7.282 1.00 0.00 H new ATOM 408 N PRO A 29 -0.287 10.335 -4.381 1.00 0.00 N ATOM 409 CA PRO A 29 0.939 9.656 -4.755 1.00 0.00 C ATOM 410 C PRO A 29 1.511 8.869 -3.577 1.00 0.00 C ATOM 411 O PRO A 29 2.569 9.216 -3.044 1.00 0.00 O ATOM 412 CB PRO A 29 1.841 10.832 -5.109 1.00 0.00 C ATOM 413 CG PRO A 29 1.430 11.922 -4.161 1.00 0.00 C ATOM 414 CD PRO A 29 0.021 11.605 -3.701 1.00 0.00 C ATOM 0 HA PRO A 29 0.817 8.927 -5.556 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.893 10.576 -4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.706 11.137 -6.147 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.111 11.970 -3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.465 12.894 -4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.034 11.503 -2.617 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.679 12.391 -3.983 1.00 0.00 H new ATOM 422 N VAL A 30 0.796 7.822 -3.155 1.00 0.00 N ATOM 423 CA VAL A 30 1.235 7.012 -2.020 1.00 0.00 C ATOM 424 C VAL A 30 2.692 6.590 -2.200 1.00 0.00 C ATOM 425 O VAL A 30 3.057 6.025 -3.232 1.00 0.00 O ATOM 426 CB VAL A 30 0.368 5.748 -1.828 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.784 5.009 -0.563 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.110 6.098 -1.778 1.00 0.00 C ATOM 0 H VAL A 30 -0.081 7.519 -3.579 1.00 0.00 H new ATOM 0 HA VAL A 30 1.129 7.635 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 30 0.528 5.095 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.165 4.120 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.830 4.714 -0.641 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.655 5.663 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.695 5.188 -1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.295 6.776 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.401 6.581 -2.711 1.00 0.00 H new ATOM 438 N PHE A 31 3.526 6.873 -1.205 1.00 0.00 N ATOM 439 CA PHE A 31 4.940 6.522 -1.277 1.00 0.00 C ATOM 440 C PHE A 31 5.295 5.450 -0.252 1.00 0.00 C ATOM 441 O PHE A 31 5.080 5.630 0.947 1.00 0.00 O ATOM 442 CB PHE A 31 5.808 7.763 -1.054 1.00 0.00 C ATOM 443 CG PHE A 31 7.163 7.675 -1.701 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.143 6.844 -1.178 1.00 0.00 C ATOM 445 CD2 PHE A 31 7.456 8.421 -2.832 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.388 6.761 -1.772 1.00 0.00 C ATOM 447 CE2 PHE A 31 8.700 8.341 -3.429 1.00 0.00 C ATOM 448 CZ PHE A 31 9.667 7.509 -2.898 1.00 0.00 C ATOM 0 H PHE A 31 3.249 7.342 -0.343 1.00 0.00 H new ATOM 0 HA PHE A 31 5.135 6.122 -2.272 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.285 8.637 -1.443 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.936 7.919 0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.931 6.256 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.704 9.072 -3.252 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.143 6.111 -1.355 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.916 8.928 -4.309 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.639 7.444 -3.363 1.00 0.00 H new ATOM 458 N VAL A 32 5.856 4.342 -0.731 1.00 0.00 N ATOM 459 CA VAL A 32 6.259 3.248 0.146 1.00 0.00 C ATOM 460 C VAL A 32 7.658 3.511 0.697 1.00 0.00 C ATOM 461 O VAL A 32 8.651 3.412 -0.027 1.00 0.00 O ATOM 462 CB VAL A 32 6.248 1.888 -0.591 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.475 0.743 0.388 1.00 0.00 C ATOM 464 CG2 VAL A 32 4.940 1.695 -1.349 1.00 0.00 C ATOM 0 H VAL A 32 6.041 4.179 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 32 5.538 3.199 0.962 1.00 0.00 H new ATOM 0 HB VAL A 32 7.064 1.887 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.464 -0.204 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.440 0.870 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.684 0.743 1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.954 0.732 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.106 1.722 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.823 2.493 -2.082 1.00 0.00 H new ATOM 474 N GLN A 33 7.726 3.859 1.981 1.00 0.00 N ATOM 475 CA GLN A 33 8.997 4.149 2.636 1.00 0.00 C ATOM 476 C GLN A 33 9.855 2.889 2.759 1.00 0.00 C ATOM 477 O GLN A 33 10.926 2.801 2.156 1.00 0.00 O ATOM 478 CB GLN A 33 8.752 4.763 4.019 1.00 0.00 C ATOM 479 CG GLN A 33 10.019 5.232 4.716 1.00 0.00 C ATOM 480 CD GLN A 33 10.490 6.589 4.225 1.00 0.00 C ATOM 481 OE1 GLN A 33 11.268 6.681 3.275 1.00 0.00 O ATOM 482 NE2 GLN A 33 10.021 7.653 4.871 1.00 0.00 N ATOM 0 H GLN A 33 6.912 3.947 2.589 1.00 0.00 H new ATOM 0 HA GLN A 33 9.539 4.867 2.020 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.071 5.608 3.915 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.253 4.027 4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.841 5.281 5.790 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.809 4.498 4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.378 7.532 5.653 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.304 8.590 4.584 1.00 0.00 H new ATOM 491 N SER A 34 9.383 1.917 3.542 1.00 0.00 N ATOM 492 CA SER A 34 10.116 0.668 3.740 1.00 0.00 C ATOM 493 C SER A 34 9.163 -0.523 3.849 1.00 0.00 C ATOM 494 O SER A 34 7.979 -0.359 4.161 1.00 0.00 O ATOM 495 CB SER A 34 10.990 0.760 4.996 1.00 0.00 C ATOM 496 OG SER A 34 10.198 0.873 6.169 1.00 0.00 O ATOM 0 H SER A 34 8.499 1.972 4.048 1.00 0.00 H new ATOM 0 HA SER A 34 10.754 0.512 2.870 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.623 -0.124 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.653 1.622 4.918 1.00 0.00 H new ATOM 0 HG SER A 34 10.782 0.928 6.954 1.00 0.00 H new ATOM 502 N VAL A 35 9.690 -1.723 3.589 1.00 0.00 N ATOM 503 CA VAL A 35 8.895 -2.950 3.656 1.00 0.00 C ATOM 504 C VAL A 35 9.672 -4.080 4.334 1.00 0.00 C ATOM 505 O VAL A 35 10.904 -4.106 4.299 1.00 0.00 O ATOM 506 CB VAL A 35 8.442 -3.408 2.250 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.402 -2.449 1.688 1.00 0.00 C ATOM 508 CG2 VAL A 35 9.630 -3.526 1.303 1.00 0.00 C ATOM 0 H VAL A 35 10.666 -1.870 3.330 1.00 0.00 H new ATOM 0 HA VAL A 35 8.012 -2.721 4.252 1.00 0.00 H new ATOM 0 HB VAL A 35 7.989 -4.395 2.345 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.094 -2.786 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.536 -2.424 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.831 -1.450 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.282 -3.850 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.121 -2.557 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.338 -4.256 1.696 1.00 0.00 H new ATOM 518 N LYS A 36 8.940 -5.012 4.952 1.00 0.00 N ATOM 519 CA LYS A 36 9.549 -6.149 5.645 1.00 0.00 C ATOM 520 C LYS A 36 10.435 -6.963 4.702 1.00 0.00 C ATOM 521 O LYS A 36 10.053 -7.238 3.565 1.00 0.00 O ATOM 522 CB LYS A 36 8.465 -7.053 6.244 1.00 0.00 C ATOM 523 CG LYS A 36 8.056 -6.666 7.657 1.00 0.00 C ATOM 524 CD LYS A 36 7.655 -7.885 8.473 1.00 0.00 C ATOM 525 CE LYS A 36 6.967 -7.494 9.777 1.00 0.00 C ATOM 526 NZ LYS A 36 5.572 -7.012 9.559 1.00 0.00 N ATOM 0 H LYS A 36 7.921 -5.000 4.986 1.00 0.00 H new ATOM 0 HA LYS A 36 10.172 -5.753 6.447 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.586 -7.026 5.601 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.825 -8.082 6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.882 -6.153 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.224 -5.963 7.617 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.987 -8.513 7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.540 -8.481 8.694 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.952 -8.352 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.546 -6.713 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.100 -6.887 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.594 -6.103 9.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.048 -7.710 8.993 1.00 0.00 H new ATOM 540 N GLU A 37 11.620 -7.342 5.187 1.00 0.00 N ATOM 541 CA GLU A 37 12.566 -8.123 4.389 1.00 0.00 C ATOM 542 C GLU A 37 12.117 -9.578 4.245 1.00 0.00 C ATOM 543 O GLU A 37 12.228 -10.161 3.164 1.00 0.00 O ATOM 544 CB GLU A 37 13.966 -8.065 5.011 1.00 0.00 C ATOM 545 CG GLU A 37 14.728 -6.794 4.663 1.00 0.00 C ATOM 546 CD GLU A 37 15.285 -6.079 5.880 1.00 0.00 C ATOM 547 OE1 GLU A 37 14.505 -5.798 6.816 1.00 0.00 O ATOM 548 OE2 GLU A 37 16.502 -5.799 5.896 1.00 0.00 O ATOM 0 H GLU A 37 11.946 -7.121 6.128 1.00 0.00 H new ATOM 0 HA GLU A 37 12.597 -7.681 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.878 -8.142 6.095 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.541 -8.928 4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.548 -7.043 3.989 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.066 -6.117 4.123 1.00 0.00 H new ATOM 555 N ASP A 38 11.607 -10.163 5.332 1.00 0.00 N ATOM 556 CA ASP A 38 11.142 -11.549 5.305 1.00 0.00 C ATOM 557 C ASP A 38 9.618 -11.615 5.418 1.00 0.00 C ATOM 558 O ASP A 38 9.073 -12.423 6.175 1.00 0.00 O ATOM 559 CB ASP A 38 11.797 -12.361 6.429 1.00 0.00 C ATOM 560 CG ASP A 38 13.159 -12.907 6.039 1.00 0.00 C ATOM 561 OD1 ASP A 38 13.296 -13.420 4.905 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.089 -12.822 6.868 1.00 0.00 O ATOM 0 H ASP A 38 11.507 -9.701 6.236 1.00 0.00 H new ATOM 0 HA ASP A 38 11.433 -11.984 4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.902 -11.732 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.143 -13.189 6.703 1.00 0.00 H new ATOM 567 N GLY A 39 8.935 -10.762 4.653 1.00 0.00 N ATOM 568 CA GLY A 39 7.484 -10.739 4.670 1.00 0.00 C ATOM 569 C GLY A 39 6.888 -10.737 3.274 1.00 0.00 C ATOM 570 O GLY A 39 7.619 -10.671 2.278 1.00 0.00 O ATOM 0 H GLY A 39 9.365 -10.086 4.021 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.116 -11.607 5.218 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.144 -9.854 5.208 1.00 0.00 H new ATOM 574 N ALA A 40 5.557 -10.801 3.201 1.00 0.00 N ATOM 575 CA ALA A 40 4.849 -10.800 1.922 1.00 0.00 C ATOM 576 C ALA A 40 5.294 -9.640 1.028 1.00 0.00 C ATOM 577 O ALA A 40 5.354 -9.784 -0.194 1.00 0.00 O ATOM 578 CB ALA A 40 3.347 -10.741 2.151 1.00 0.00 C ATOM 0 H ALA A 40 4.947 -10.854 4.017 1.00 0.00 H new ATOM 0 HA ALA A 40 5.097 -11.728 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.832 -10.741 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.033 -11.609 2.731 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.098 -9.831 2.696 1.00 0.00 H new ATOM 584 N ALA A 41 5.609 -8.493 1.639 1.00 0.00 N ATOM 585 CA ALA A 41 6.054 -7.319 0.887 1.00 0.00 C ATOM 586 C ALA A 41 7.264 -7.658 0.016 1.00 0.00 C ATOM 587 O ALA A 41 7.194 -7.578 -1.210 1.00 0.00 O ATOM 588 CB ALA A 41 6.378 -6.170 1.832 1.00 0.00 C ATOM 0 H ALA A 41 5.564 -8.354 2.649 1.00 0.00 H new ATOM 0 HA ALA A 41 5.241 -7.006 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.707 -5.306 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.488 -5.907 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.171 -6.473 2.515 1.00 0.00 H new ATOM 594 N MET A 42 8.366 -8.054 0.655 1.00 0.00 N ATOM 595 CA MET A 42 9.577 -8.421 -0.077 1.00 0.00 C ATOM 596 C MET A 42 9.358 -9.707 -0.871 1.00 0.00 C ATOM 597 O MET A 42 9.889 -9.860 -1.972 1.00 0.00 O ATOM 598 CB MET A 42 10.759 -8.592 0.878 1.00 0.00 C ATOM 599 CG MET A 42 11.804 -7.493 0.757 1.00 0.00 C ATOM 600 SD MET A 42 13.392 -8.108 0.161 1.00 0.00 S ATOM 601 CE MET A 42 14.520 -7.311 1.303 1.00 0.00 C ATOM 0 H MET A 42 8.444 -8.128 1.669 1.00 0.00 H new ATOM 0 HA MET A 42 9.805 -7.613 -0.773 1.00 0.00 H new ATOM 0 HB2 MET A 42 10.387 -8.617 1.902 1.00 0.00 H new ATOM 0 HB3 MET A 42 11.233 -9.555 0.687 1.00 0.00 H new ATOM 0 HG2 MET A 42 11.439 -6.723 0.078 1.00 0.00 H new ATOM 0 HG3 MET A 42 11.943 -7.021 1.729 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.413 -6.989 0.767 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.033 -6.444 1.750 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.801 -8.014 2.087 1.00 0.00 H new ATOM 611 N ARG A 43 8.562 -10.624 -0.314 1.00 0.00 N ATOM 612 CA ARG A 43 8.265 -11.888 -0.987 1.00 0.00 C ATOM 613 C ARG A 43 7.564 -11.637 -2.325 1.00 0.00 C ATOM 614 O ARG A 43 7.781 -12.367 -3.290 1.00 0.00 O ATOM 615 CB ARG A 43 7.391 -12.784 -0.096 1.00 0.00 C ATOM 616 CG ARG A 43 8.130 -13.979 0.487 1.00 0.00 C ATOM 617 CD ARG A 43 9.336 -13.549 1.311 1.00 0.00 C ATOM 618 NE ARG A 43 10.299 -14.637 1.486 1.00 0.00 N ATOM 619 CZ ARG A 43 11.546 -14.472 1.940 1.00 0.00 C ATOM 620 NH1 ARG A 43 11.995 -13.261 2.263 1.00 0.00 N ATOM 621 NH2 ARG A 43 12.348 -15.522 2.066 1.00 0.00 N ATOM 0 H ARG A 43 8.115 -10.514 0.596 1.00 0.00 H new ATOM 0 HA ARG A 43 9.209 -12.398 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.987 -12.185 0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.542 -13.142 -0.679 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.450 -14.558 1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.456 -14.634 -0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.826 -12.707 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 43 9.001 -13.201 2.288 1.00 0.00 H new ATOM 0 HE ARG A 43 10.000 -15.582 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 43 11.386 -12.448 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 43 12.948 -13.146 2.608 1.00 0.00 H new ATOM 0 HH21 ARG A 43 12.013 -16.453 1.817 1.00 0.00 H new ATOM 0 HH22 ARG A 43 13.299 -15.398 2.412 1.00 0.00 H new ATOM 635 N ALA A 44 6.728 -10.595 -2.378 1.00 0.00 N ATOM 636 CA ALA A 44 6.005 -10.250 -3.601 1.00 0.00 C ATOM 637 C ALA A 44 6.895 -9.493 -4.597 1.00 0.00 C ATOM 638 O ALA A 44 6.550 -9.372 -5.773 1.00 0.00 O ATOM 639 CB ALA A 44 4.774 -9.418 -3.269 1.00 0.00 C ATOM 0 H ALA A 44 6.537 -9.978 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 44 5.697 -11.183 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.245 -9.168 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.115 -9.989 -2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.080 -8.501 -2.766 1.00 0.00 H new ATOM 645 N GLY A 45 8.038 -8.991 -4.122 1.00 0.00 N ATOM 646 CA GLY A 45 8.949 -8.258 -4.987 1.00 0.00 C ATOM 647 C GLY A 45 8.881 -6.754 -4.779 1.00 0.00 C ATOM 648 O GLY A 45 9.082 -5.984 -5.722 1.00 0.00 O ATOM 0 H GLY A 45 8.347 -9.080 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.968 -8.599 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.717 -8.487 -6.027 1.00 0.00 H new ATOM 652 N VAL A 46 8.606 -6.330 -3.545 1.00 0.00 N ATOM 653 CA VAL A 46 8.520 -4.908 -3.222 1.00 0.00 C ATOM 654 C VAL A 46 9.880 -4.370 -2.790 1.00 0.00 C ATOM 655 O VAL A 46 10.613 -5.030 -2.048 1.00 0.00 O ATOM 656 CB VAL A 46 7.487 -4.632 -2.107 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.386 -3.139 -1.823 1.00 0.00 C ATOM 658 CG2 VAL A 46 6.124 -5.198 -2.483 1.00 0.00 C ATOM 0 H VAL A 46 8.439 -6.952 -2.754 1.00 0.00 H new ATOM 0 HA VAL A 46 8.194 -4.397 -4.128 1.00 0.00 H new ATOM 0 HB VAL A 46 7.827 -5.131 -1.199 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.653 -2.967 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.358 -2.763 -1.503 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.075 -2.617 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.412 -4.993 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.779 -4.732 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.205 -6.275 -2.629 1.00 0.00 H new ATOM 668 N GLN A 47 10.213 -3.170 -3.260 1.00 0.00 N ATOM 669 CA GLN A 47 11.486 -2.538 -2.931 1.00 0.00 C ATOM 670 C GLN A 47 11.291 -1.367 -1.968 1.00 0.00 C ATOM 671 O GLN A 47 10.168 -0.910 -1.745 1.00 0.00 O ATOM 672 CB GLN A 47 12.182 -2.052 -4.207 1.00 0.00 C ATOM 673 CG GLN A 47 12.467 -3.161 -5.210 1.00 0.00 C ATOM 674 CD GLN A 47 11.700 -2.986 -6.509 1.00 0.00 C ATOM 675 OE1 GLN A 47 10.520 -3.323 -6.596 1.00 0.00 O ATOM 676 NE2 GLN A 47 12.370 -2.459 -7.531 1.00 0.00 N ATOM 0 H GLN A 47 9.615 -2.615 -3.872 1.00 0.00 H new ATOM 0 HA GLN A 47 12.112 -3.283 -2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.560 -1.295 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.121 -1.569 -3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.535 -3.186 -5.424 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.208 -4.122 -4.766 1.00 0.00 H new ATOM 0 HE21 GLN A 47 13.348 -2.193 -7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.905 -2.321 -8.429 1.00 0.00 H new ATOM 685 N THR A 48 12.399 -0.885 -1.404 1.00 0.00 N ATOM 686 CA THR A 48 12.366 0.234 -0.465 1.00 0.00 C ATOM 687 C THR A 48 12.427 1.567 -1.210 1.00 0.00 C ATOM 688 O THR A 48 13.485 1.963 -1.705 1.00 0.00 O ATOM 689 CB THR A 48 13.533 0.130 0.523 1.00 0.00 C ATOM 690 OG1 THR A 48 13.684 -1.201 0.988 1.00 0.00 O ATOM 691 CG2 THR A 48 13.374 1.021 1.737 1.00 0.00 C ATOM 0 H THR A 48 13.333 -1.254 -1.583 1.00 0.00 H new ATOM 0 HA THR A 48 11.428 0.190 0.088 1.00 0.00 H new ATOM 0 HB THR A 48 14.410 0.456 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 48 14.435 -1.245 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.235 0.898 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.307 2.061 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.466 0.746 2.273 1.00 0.00 H new ATOM 699 N GLY A 49 11.286 2.252 -1.287 1.00 0.00 N ATOM 700 CA GLY A 49 11.228 3.533 -1.972 1.00 0.00 C ATOM 701 C GLY A 49 10.427 3.472 -3.264 1.00 0.00 C ATOM 702 O GLY A 49 10.939 3.811 -4.333 1.00 0.00 O ATOM 0 H GLY A 49 10.401 1.941 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.784 4.275 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.241 3.868 -2.193 1.00 0.00 H new ATOM 706 N ASP A 50 9.170 3.043 -3.162 1.00 0.00 N ATOM 707 CA ASP A 50 8.288 2.939 -4.325 1.00 0.00 C ATOM 708 C ASP A 50 7.178 3.987 -4.259 1.00 0.00 C ATOM 709 O ASP A 50 6.918 4.559 -3.199 1.00 0.00 O ATOM 710 CB ASP A 50 7.678 1.536 -4.404 1.00 0.00 C ATOM 711 CG ASP A 50 8.511 0.583 -5.241 1.00 0.00 C ATOM 712 OD1 ASP A 50 8.773 0.899 -6.421 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.901 -0.481 -4.715 1.00 0.00 O ATOM 0 H ASP A 50 8.737 2.761 -2.282 1.00 0.00 H new ATOM 0 HA ASP A 50 8.882 3.120 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.573 1.132 -3.397 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.675 1.603 -4.826 1.00 0.00 H new ATOM 718 N ARG A 51 6.525 4.237 -5.394 1.00 0.00 N ATOM 719 CA ARG A 51 5.442 5.217 -5.455 1.00 0.00 C ATOM 720 C ARG A 51 4.135 4.555 -5.900 1.00 0.00 C ATOM 721 O ARG A 51 3.790 4.575 -7.084 1.00 0.00 O ATOM 722 CB ARG A 51 5.812 6.362 -6.409 1.00 0.00 C ATOM 723 CG ARG A 51 5.183 7.697 -6.039 1.00 0.00 C ATOM 724 CD ARG A 51 5.682 8.823 -6.935 1.00 0.00 C ATOM 725 NE ARG A 51 6.918 9.428 -6.432 1.00 0.00 N ATOM 726 CZ ARG A 51 7.402 10.602 -6.850 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.770 11.299 -7.791 1.00 0.00 N ATOM 728 NH2 ARG A 51 8.527 11.081 -6.328 1.00 0.00 N ATOM 0 H ARG A 51 6.727 3.776 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 51 5.295 5.627 -4.456 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.896 6.474 -6.424 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.505 6.094 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.098 7.623 -6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.411 7.931 -4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.852 8.436 -7.940 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.911 9.590 -7.015 1.00 0.00 H new ATOM 0 HE ARG A 51 7.442 8.922 -5.718 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.908 10.939 -8.200 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.148 12.194 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.021 10.553 -5.609 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.896 11.977 -6.647 1.00 0.00 H new ATOM 742 N ILE A 52 3.411 3.968 -4.943 1.00 0.00 N ATOM 743 CA ILE A 52 2.144 3.302 -5.241 1.00 0.00 C ATOM 744 C ILE A 52 1.053 4.322 -5.579 1.00 0.00 C ATOM 745 O ILE A 52 0.837 5.295 -4.848 1.00 0.00 O ATOM 746 CB ILE A 52 1.685 2.376 -4.080 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.284 1.800 -4.353 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.731 3.100 -2.742 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.862 2.716 -3.967 1.00 0.00 C ATOM 0 H ILE A 52 3.681 3.941 -3.960 1.00 0.00 H new ATOM 0 HA ILE A 52 2.313 2.673 -6.115 1.00 0.00 H new ATOM 0 HB ILE A 52 2.385 1.542 -4.026 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.203 1.565 -5.414 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.180 0.861 -3.810 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.404 2.425 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.751 3.428 -2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.071 3.967 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.810 2.229 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.812 2.931 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.789 3.647 -4.529 1.00 0.00 H new ATOM 761 N ILE A 53 0.378 4.091 -6.704 1.00 0.00 N ATOM 762 CA ILE A 53 -0.682 4.981 -7.164 1.00 0.00 C ATOM 763 C ILE A 53 -2.063 4.334 -7.020 1.00 0.00 C ATOM 764 O ILE A 53 -3.044 5.019 -6.728 1.00 0.00 O ATOM 765 CB ILE A 53 -0.466 5.383 -8.641 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.881 6.096 -8.815 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.606 6.267 -9.131 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.592 5.738 -10.103 1.00 0.00 C ATOM 0 H ILE A 53 0.549 3.292 -7.314 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.642 5.870 -6.535 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.455 4.475 -9.243 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.719 7.174 -8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.526 5.848 -7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.434 6.538 -10.173 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.548 5.725 -9.048 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.653 7.171 -8.524 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.537 6.279 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.785 4.666 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.966 6.012 -10.952 1.00 0.00 H new ATOM 780 N LYS A 54 -2.143 3.020 -7.241 1.00 0.00 N ATOM 781 CA LYS A 54 -3.418 2.306 -7.143 1.00 0.00 C ATOM 782 C LYS A 54 -3.304 1.079 -6.241 1.00 0.00 C ATOM 783 O LYS A 54 -2.247 0.454 -6.166 1.00 0.00 O ATOM 784 CB LYS A 54 -3.897 1.882 -8.534 1.00 0.00 C ATOM 785 CG LYS A 54 -3.658 2.925 -9.615 1.00 0.00 C ATOM 786 CD LYS A 54 -3.993 2.378 -10.992 1.00 0.00 C ATOM 787 CE LYS A 54 -4.033 3.478 -12.043 1.00 0.00 C ATOM 788 NZ LYS A 54 -2.811 4.332 -12.013 1.00 0.00 N ATOM 0 H LYS A 54 -1.346 2.432 -7.487 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.145 2.987 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.390 0.959 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.963 1.659 -8.488 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.266 3.807 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.616 3.244 -9.592 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.252 1.631 -11.276 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.958 1.873 -10.957 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.137 3.030 -13.031 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.913 4.101 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.785 4.931 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.829 4.935 -11.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.965 3.727 -11.989 1.00 0.00 H new ATOM 802 N VAL A 55 -4.401 0.739 -5.561 1.00 0.00 N ATOM 803 CA VAL A 55 -4.423 -0.418 -4.668 1.00 0.00 C ATOM 804 C VAL A 55 -5.585 -1.357 -5.001 1.00 0.00 C ATOM 805 O VAL A 55 -6.743 -1.065 -4.694 1.00 0.00 O ATOM 806 CB VAL A 55 -4.503 0.003 -3.184 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.150 0.513 -2.708 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.586 1.054 -2.967 1.00 0.00 C ATOM 0 H VAL A 55 -5.283 1.248 -5.612 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.484 -0.950 -4.824 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.771 -0.874 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.220 0.807 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.406 -0.276 -2.815 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.854 1.374 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.619 1.331 -1.913 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.362 1.936 -3.567 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.552 0.648 -3.266 1.00 0.00 H new ATOM 818 N ASN A 56 -5.256 -2.484 -5.643 1.00 0.00 N ATOM 819 CA ASN A 56 -6.249 -3.481 -6.042 1.00 0.00 C ATOM 820 C ASN A 56 -7.290 -2.869 -6.983 1.00 0.00 C ATOM 821 O ASN A 56 -8.478 -3.197 -6.917 1.00 0.00 O ATOM 822 CB ASN A 56 -6.922 -4.097 -4.807 1.00 0.00 C ATOM 823 CG ASN A 56 -7.077 -5.603 -4.929 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.217 -6.283 -5.492 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.171 -6.136 -4.392 1.00 0.00 N ATOM 0 H ASN A 56 -4.299 -2.727 -5.898 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.735 -4.276 -6.583 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.332 -3.865 -3.920 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.903 -3.643 -4.665 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.322 -7.144 -4.437 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.858 -5.537 -3.935 1.00 0.00 H new ATOM 832 N GLY A 57 -6.829 -1.969 -7.857 1.00 0.00 N ATOM 833 CA GLY A 57 -7.721 -1.311 -8.799 1.00 0.00 C ATOM 834 C GLY A 57 -8.261 0.005 -8.262 1.00 0.00 C ATOM 835 O GLY A 57 -8.341 0.993 -8.996 1.00 0.00 O ATOM 0 H GLY A 57 -5.852 -1.686 -7.927 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.189 -1.129 -9.733 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.554 -1.975 -9.031 1.00 0.00 H new ATOM 839 N THR A 58 -8.630 0.014 -6.980 1.00 0.00 N ATOM 840 CA THR A 58 -9.165 1.209 -6.331 1.00 0.00 C ATOM 841 C THR A 58 -8.159 2.361 -6.382 1.00 0.00 C ATOM 842 O THR A 58 -7.073 2.281 -5.802 1.00 0.00 O ATOM 843 CB THR A 58 -9.547 0.894 -4.878 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.421 -0.222 -4.823 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.229 2.044 -4.165 1.00 0.00 C ATOM 0 H THR A 58 -8.567 -0.800 -6.368 1.00 0.00 H new ATOM 0 HA THR A 58 -10.058 1.521 -6.872 1.00 0.00 H new ATOM 0 HB THR A 58 -8.603 0.689 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.653 -0.410 -3.890 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.469 1.748 -3.144 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.563 2.906 -4.146 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.146 2.306 -4.692 1.00 0.00 H new ATOM 853 N LEU A 59 -8.532 3.431 -7.084 1.00 0.00 N ATOM 854 CA LEU A 59 -7.674 4.606 -7.218 1.00 0.00 C ATOM 855 C LEU A 59 -7.599 5.369 -5.899 1.00 0.00 C ATOM 856 O LEU A 59 -8.619 5.608 -5.250 1.00 0.00 O ATOM 857 CB LEU A 59 -8.192 5.528 -8.328 1.00 0.00 C ATOM 858 CG LEU A 59 -7.701 5.184 -9.737 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.859 4.727 -10.612 1.00 0.00 C ATOM 860 CD2 LEU A 59 -6.993 6.378 -10.364 1.00 0.00 C ATOM 0 H LEU A 59 -9.426 3.507 -7.570 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.673 4.266 -7.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -9.282 5.501 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.897 6.552 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.987 4.364 -9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.489 4.487 -11.609 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.319 3.842 -10.173 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.599 5.524 -10.682 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.651 6.114 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.684 7.219 -10.426 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.137 6.657 -9.750 1.00 0.00 H new ATOM 872 N VAL A 60 -6.385 5.756 -5.511 1.00 0.00 N ATOM 873 CA VAL A 60 -6.175 6.497 -4.271 1.00 0.00 C ATOM 874 C VAL A 60 -6.139 8.012 -4.524 1.00 0.00 C ATOM 875 O VAL A 60 -5.443 8.758 -3.831 1.00 0.00 O ATOM 876 CB VAL A 60 -4.878 6.031 -3.565 1.00 0.00 C ATOM 877 CG1 VAL A 60 -3.640 6.492 -4.320 1.00 0.00 C ATOM 878 CG2 VAL A 60 -4.847 6.511 -2.122 1.00 0.00 C ATOM 0 H VAL A 60 -5.532 5.568 -6.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.019 6.288 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.874 4.941 -3.561 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.747 6.149 -3.798 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.653 6.078 -5.328 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.632 7.581 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.927 6.172 -1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.887 7.600 -2.100 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.704 6.105 -1.585 1.00 0.00 H new ATOM 888 N THR A 61 -6.910 8.461 -5.518 1.00 0.00 N ATOM 889 CA THR A 61 -6.983 9.880 -5.858 1.00 0.00 C ATOM 890 C THR A 61 -8.149 10.555 -5.127 1.00 0.00 C ATOM 891 O THR A 61 -8.053 11.720 -4.737 1.00 0.00 O ATOM 892 CB THR A 61 -7.141 10.052 -7.373 1.00 0.00 C ATOM 893 OG1 THR A 61 -6.094 9.392 -8.066 1.00 0.00 O ATOM 894 CG2 THR A 61 -7.147 11.498 -7.821 1.00 0.00 C ATOM 0 H THR A 61 -7.492 7.860 -6.101 1.00 0.00 H new ATOM 0 HA THR A 61 -6.056 10.357 -5.540 1.00 0.00 H new ATOM 0 HB THR A 61 -8.111 9.614 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.214 9.512 -9.031 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.262 11.543 -8.904 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.976 12.023 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.207 11.971 -7.536 1.00 0.00 H new ATOM 902 N HIS A 62 -9.246 9.813 -4.947 1.00 0.00 N ATOM 903 CA HIS A 62 -10.433 10.333 -4.262 1.00 0.00 C ATOM 904 C HIS A 62 -10.760 9.509 -3.010 1.00 0.00 C ATOM 905 O HIS A 62 -11.920 9.423 -2.599 1.00 0.00 O ATOM 906 CB HIS A 62 -11.635 10.335 -5.217 1.00 0.00 C ATOM 907 CG HIS A 62 -11.941 8.992 -5.813 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.523 8.613 -7.072 1.00 0.00 N ATOM 909 CD2 HIS A 62 -12.632 7.938 -5.316 1.00 0.00 C ATOM 910 CE1 HIS A 62 -11.944 7.385 -7.322 1.00 0.00 C ATOM 911 NE2 HIS A 62 -12.618 6.953 -6.271 1.00 0.00 N ATOM 0 H HIS A 62 -9.336 8.849 -5.267 1.00 0.00 H new ATOM 0 HA HIS A 62 -10.219 11.355 -3.948 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -12.513 10.691 -4.679 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.445 11.044 -6.023 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.106 7.883 -4.347 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -11.767 6.829 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -13.057 6.036 -6.184 1.00 0.00 H new ATOM 920 N SER A 63 -9.733 8.904 -2.408 1.00 0.00 N ATOM 921 CA SER A 63 -9.915 8.085 -1.209 1.00 0.00 C ATOM 922 C SER A 63 -9.409 8.806 0.045 1.00 0.00 C ATOM 923 O SER A 63 -8.943 9.944 -0.028 1.00 0.00 O ATOM 924 CB SER A 63 -9.190 6.745 -1.378 1.00 0.00 C ATOM 925 OG SER A 63 -9.521 5.844 -0.334 1.00 0.00 O ATOM 0 H SER A 63 -8.768 8.966 -2.732 1.00 0.00 H new ATOM 0 HA SER A 63 -10.982 7.905 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.455 6.304 -2.339 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.113 6.911 -1.390 1.00 0.00 H new ATOM 0 HG SER A 63 -9.045 4.998 -0.469 1.00 0.00 H new ATOM 931 N ASN A 64 -9.508 8.131 1.194 1.00 0.00 N ATOM 932 CA ASN A 64 -9.067 8.697 2.469 1.00 0.00 C ATOM 933 C ASN A 64 -7.959 7.846 3.095 1.00 0.00 C ATOM 934 O ASN A 64 -7.733 6.707 2.684 1.00 0.00 O ATOM 935 CB ASN A 64 -10.249 8.808 3.435 1.00 0.00 C ATOM 936 CG ASN A 64 -11.222 9.906 3.043 1.00 0.00 C ATOM 937 OD1 ASN A 64 -12.168 9.669 2.291 1.00 0.00 O ATOM 938 ND2 ASN A 64 -10.996 11.113 3.549 1.00 0.00 N ATOM 0 H ASN A 64 -9.891 7.188 1.266 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.667 9.692 2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -10.777 7.855 3.469 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.875 9.001 4.440 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.618 11.887 3.318 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.200 11.265 4.168 1.00 0.00 H new ATOM 945 N HIS A 65 -7.270 8.407 4.092 1.00 0.00 N ATOM 946 CA HIS A 65 -6.181 7.706 4.773 1.00 0.00 C ATOM 947 C HIS A 65 -6.658 6.381 5.376 1.00 0.00 C ATOM 948 O HIS A 65 -6.206 5.309 4.969 1.00 0.00 O ATOM 949 CB HIS A 65 -5.579 8.597 5.865 1.00 0.00 C ATOM 950 CG HIS A 65 -4.609 7.883 6.751 1.00 0.00 C ATOM 951 ND1 HIS A 65 -4.963 7.336 7.967 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.294 7.610 6.585 1.00 0.00 C ATOM 953 CE1 HIS A 65 -3.911 6.757 8.509 1.00 0.00 C ATOM 954 NE2 HIS A 65 -2.886 6.908 7.691 1.00 0.00 N ATOM 0 H HIS A 65 -7.448 9.347 4.445 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.414 7.480 4.032 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.076 9.443 5.396 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.385 9.004 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.681 7.892 5.741 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.891 6.246 9.460 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.942 6.559 7.855 1.00 0.00 H new ATOM 963 N LEU A 66 -7.569 6.464 6.349 1.00 0.00 N ATOM 964 CA LEU A 66 -8.103 5.269 7.007 1.00 0.00 C ATOM 965 C LEU A 66 -8.844 4.370 6.012 1.00 0.00 C ATOM 966 O LEU A 66 -8.913 3.155 6.201 1.00 0.00 O ATOM 967 CB LEU A 66 -9.042 5.653 8.158 1.00 0.00 C ATOM 968 CG LEU A 66 -8.426 5.560 9.559 1.00 0.00 C ATOM 969 CD1 LEU A 66 -9.098 6.543 10.508 1.00 0.00 C ATOM 970 CD2 LEU A 66 -8.534 4.138 10.095 1.00 0.00 C ATOM 0 H LEU A 66 -7.951 7.343 6.698 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.256 4.714 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.389 6.674 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.920 5.008 8.121 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.370 5.822 9.488 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.646 6.461 11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.968 7.558 10.133 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.162 6.315 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.092 4.090 11.090 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.583 3.848 10.150 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.004 3.457 9.429 1.00 0.00 H new ATOM 982 N GLU A 67 -9.393 4.971 4.953 1.00 0.00 N ATOM 983 CA GLU A 67 -10.119 4.218 3.933 1.00 0.00 C ATOM 984 C GLU A 67 -9.195 3.234 3.211 1.00 0.00 C ATOM 985 O GLU A 67 -9.570 2.087 2.967 1.00 0.00 O ATOM 986 CB GLU A 67 -10.762 5.174 2.922 1.00 0.00 C ATOM 987 CG GLU A 67 -11.729 4.496 1.961 1.00 0.00 C ATOM 988 CD GLU A 67 -12.891 3.821 2.666 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.633 4.516 3.392 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.058 2.595 2.492 1.00 0.00 O ATOM 0 H GLU A 67 -9.347 5.975 4.782 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.903 3.647 4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.293 5.957 3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.975 5.662 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.117 5.237 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.188 3.755 1.373 1.00 0.00 H new ATOM 997 N VAL A 68 -7.985 3.687 2.874 1.00 0.00 N ATOM 998 CA VAL A 68 -7.014 2.839 2.180 1.00 0.00 C ATOM 999 C VAL A 68 -6.599 1.650 3.046 1.00 0.00 C ATOM 1000 O VAL A 68 -6.665 0.503 2.603 1.00 0.00 O ATOM 1001 CB VAL A 68 -5.748 3.625 1.766 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -4.818 2.751 0.931 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -6.123 4.887 1.004 1.00 0.00 C ATOM 0 H VAL A 68 -7.656 4.632 3.070 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.511 2.478 1.280 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.219 3.917 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.934 3.324 0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.516 1.880 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.338 2.423 0.031 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.218 5.425 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.679 4.618 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.741 5.524 1.637 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.172 1.929 4.276 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.747 0.873 5.191 1.00 0.00 C ATOM 1015 C VAL A 69 -6.877 -0.128 5.452 1.00 0.00 C ATOM 1016 O VAL A 69 -6.641 -1.338 5.489 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.221 1.445 6.532 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.299 2.232 7.261 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.677 0.330 7.413 1.00 0.00 C ATOM 0 H VAL A 69 -6.111 2.872 4.660 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.925 0.350 4.703 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.407 2.134 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.897 2.619 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.628 3.063 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.146 1.579 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.312 0.752 8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.470 -0.388 7.622 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.858 -0.173 6.899 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.105 0.377 5.615 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.263 -0.486 5.856 1.00 0.00 C ATOM 1031 C LYS A 70 -9.504 -1.415 4.664 1.00 0.00 C ATOM 1032 O LYS A 70 -9.779 -2.602 4.841 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.522 0.348 6.131 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.358 -0.169 7.296 1.00 0.00 C ATOM 1035 CD LYS A 70 -11.219 0.721 8.523 1.00 0.00 C ATOM 1036 CE LYS A 70 -12.442 1.607 8.716 1.00 0.00 C ATOM 1037 NZ LYS A 70 -12.070 3.002 9.083 1.00 0.00 N ATOM 0 H LYS A 70 -8.320 1.374 5.584 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.048 -1.092 6.736 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.228 1.377 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.139 0.365 5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.406 -0.219 6.999 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.048 -1.184 7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.075 0.101 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.330 1.344 8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.030 1.618 7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.076 1.184 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.931 3.579 9.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.561 2.998 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.458 3.404 8.344 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.394 -0.866 3.451 1.00 0.00 N ATOM 1052 CA LEU A 71 -9.596 -1.649 2.233 1.00 0.00 C ATOM 1053 C LEU A 71 -8.517 -2.719 2.083 1.00 0.00 C ATOM 1054 O LEU A 71 -8.821 -3.882 1.816 1.00 0.00 O ATOM 1055 CB LEU A 71 -9.598 -0.735 1.001 1.00 0.00 C ATOM 1056 CG LEU A 71 -10.974 -0.485 0.375 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -11.072 0.938 -0.161 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.247 -1.498 -0.730 1.00 0.00 C ATOM 0 H LEU A 71 -9.167 0.115 3.288 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.564 -2.143 2.311 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.164 0.225 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.946 -1.171 0.244 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.732 -0.608 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.057 1.094 -0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.923 1.645 0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.306 1.094 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.228 -1.307 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.484 -1.408 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.224 -2.505 -0.314 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.255 -2.323 2.260 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.138 -3.260 2.144 1.00 0.00 C ATOM 1072 C ILE A 72 -6.193 -4.313 3.248 1.00 0.00 C ATOM 1073 O ILE A 72 -5.960 -5.496 2.995 1.00 0.00 O ATOM 1074 CB ILE A 72 -4.770 -2.541 2.191 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -4.684 -1.472 1.097 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -3.635 -3.546 2.037 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.733 -2.032 -0.310 1.00 0.00 C ATOM 0 H ILE A 72 -6.983 -1.366 2.483 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.237 -3.745 1.173 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.674 -2.052 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.505 -0.766 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.758 -0.910 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.679 -3.023 2.072 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.681 -4.274 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.732 -4.061 1.081 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.667 -1.215 -1.029 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.897 -2.715 -0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.670 -2.569 -0.456 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.508 -3.881 4.471 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.600 -4.800 5.603 1.00 0.00 C ATOM 1091 C LYS A 73 -7.784 -5.758 5.440 1.00 0.00 C ATOM 1092 O LYS A 73 -7.728 -6.902 5.894 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.728 -4.027 6.918 1.00 0.00 C ATOM 1094 CG LYS A 73 -5.392 -3.595 7.502 1.00 0.00 C ATOM 1095 CD LYS A 73 -5.575 -2.707 8.723 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.239 -2.215 9.259 1.00 0.00 C ATOM 1097 NZ LYS A 73 -3.630 -3.172 10.227 1.00 0.00 N ATOM 0 H LYS A 73 -6.702 -2.906 4.700 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.683 -5.388 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.345 -3.144 6.752 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.250 -4.648 7.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.812 -4.476 7.776 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.819 -3.060 6.745 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.201 -1.853 8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.099 -3.261 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.552 -2.057 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.379 -1.249 9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.722 -2.794 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.272 -3.304 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.471 -4.086 9.758 1.00 0.00 H new ATOM 1111 N SER A 74 -8.852 -5.289 4.787 1.00 0.00 N ATOM 1112 CA SER A 74 -10.038 -6.115 4.565 1.00 0.00 C ATOM 1113 C SER A 74 -9.827 -7.058 3.378 1.00 0.00 C ATOM 1114 O SER A 74 -10.492 -6.940 2.346 1.00 0.00 O ATOM 1115 CB SER A 74 -11.272 -5.233 4.331 1.00 0.00 C ATOM 1116 OG SER A 74 -12.468 -5.985 4.458 1.00 0.00 O ATOM 0 H SER A 74 -8.918 -4.345 4.405 1.00 0.00 H new ATOM 0 HA SER A 74 -10.205 -6.717 5.458 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.277 -4.412 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.222 -4.788 3.337 1.00 0.00 H new ATOM 0 HG SER A 74 -13.240 -5.400 4.306 1.00 0.00 H new ATOM 1122 N GLY A 75 -8.891 -7.993 3.535 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.599 -8.943 2.476 1.00 0.00 C ATOM 1124 C GLY A 75 -7.282 -9.664 2.692 1.00 0.00 C ATOM 1125 O GLY A 75 -6.522 -9.322 3.600 1.00 0.00 O ATOM 0 H GLY A 75 -8.330 -8.108 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.405 -9.675 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.571 -8.420 1.520 1.00 0.00 H new ATOM 1129 N SER A 76 -7.013 -10.669 1.859 1.00 0.00 N ATOM 1130 CA SER A 76 -5.779 -11.443 1.967 1.00 0.00 C ATOM 1131 C SER A 76 -4.676 -10.838 1.099 1.00 0.00 C ATOM 1132 O SER A 76 -3.721 -10.255 1.613 1.00 0.00 O ATOM 1133 CB SER A 76 -6.019 -12.906 1.571 1.00 0.00 C ATOM 1134 OG SER A 76 -7.248 -13.061 0.876 1.00 0.00 O ATOM 0 H SER A 76 -7.632 -10.965 1.104 1.00 0.00 H new ATOM 0 HA SER A 76 -5.456 -11.411 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.198 -13.254 0.944 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.024 -13.530 2.465 1.00 0.00 H new ATOM 0 HG SER A 76 -7.371 -14.003 0.636 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.815 -10.978 -0.218 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.830 -10.442 -1.150 1.00 0.00 C ATOM 1142 C TYR A 77 -4.471 -9.427 -2.094 1.00 0.00 C ATOM 1143 O TYR A 77 -5.668 -9.506 -2.384 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.178 -11.574 -1.952 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.162 -12.405 -2.744 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.849 -13.456 -2.149 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.409 -12.135 -4.083 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.755 -14.212 -2.866 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.311 -12.887 -4.808 1.00 0.00 C ATOM 1150 CZ TYR A 77 -5.982 -13.925 -4.196 1.00 0.00 C ATOM 1151 OH TYR A 77 -6.887 -14.676 -4.913 1.00 0.00 O ATOM 0 H TYR A 77 -5.599 -11.457 -0.661 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.059 -9.934 -0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.444 -11.147 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.634 -12.225 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.671 -13.685 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -3.886 -11.322 -4.566 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.283 -15.024 -2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.491 -12.664 -5.849 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.931 -14.344 -5.834 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.670 -8.470 -2.564 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.164 -7.431 -3.467 1.00 0.00 C ATOM 1163 C VAL A 78 -3.074 -6.947 -4.426 1.00 0.00 C ATOM 1164 O VAL A 78 -1.893 -6.904 -4.071 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.704 -6.216 -2.681 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -6.060 -6.526 -2.064 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -3.708 -5.790 -1.612 1.00 0.00 C ATOM 0 H VAL A 78 -2.679 -8.393 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.971 -7.883 -4.043 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.836 -5.389 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.418 -5.654 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.770 -6.776 -2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.965 -7.370 -1.381 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.103 -4.933 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.542 -6.615 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.764 -5.516 -2.083 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.486 -6.567 -5.637 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.554 -6.065 -6.647 1.00 0.00 C ATOM 1179 C ALA A 79 -2.580 -4.541 -6.690 1.00 0.00 C ATOM 1180 O ALA A 79 -3.576 -3.944 -7.099 1.00 0.00 O ATOM 1181 CB ALA A 79 -2.898 -6.634 -8.014 1.00 0.00 C ATOM 0 H ALA A 79 -4.459 -6.598 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.549 -6.387 -6.376 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.196 -6.251 -8.755 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.835 -7.722 -7.982 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.911 -6.338 -8.287 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.489 -3.913 -6.259 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.405 -2.453 -6.239 1.00 0.00 C ATOM 1189 C LEU A 80 -0.499 -1.920 -7.347 1.00 0.00 C ATOM 1190 O LEU A 80 0.648 -2.349 -7.490 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.896 -1.959 -4.877 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.153 -2.892 -3.689 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -0.498 -2.341 -2.432 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -2.647 -3.087 -3.467 1.00 0.00 C ATOM 0 H LEU A 80 -0.653 -4.389 -5.920 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.412 -2.073 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.178 -1.786 -4.953 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.360 -0.996 -4.665 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.712 -3.863 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.689 -3.015 -1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.577 -2.255 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.912 -1.358 -2.207 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.805 -3.753 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.113 -2.123 -3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.093 -3.525 -4.360 1.00 0.00 H new ATOM 1206 N THR A 81 -1.020 -0.963 -8.113 1.00 0.00 N ATOM 1207 CA THR A 81 -0.262 -0.344 -9.195 1.00 0.00 C ATOM 1208 C THR A 81 0.649 0.750 -8.637 1.00 0.00 C ATOM 1209 O THR A 81 0.173 1.756 -8.097 1.00 0.00 O ATOM 1210 CB THR A 81 -1.209 0.241 -10.248 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.079 -0.761 -10.751 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.489 0.860 -11.427 1.00 0.00 C ATOM 0 H THR A 81 -1.967 -0.600 -8.003 1.00 0.00 H new ATOM 0 HA THR A 81 0.353 -1.108 -9.671 1.00 0.00 H new ATOM 0 HB THR A 81 -1.764 1.025 -9.733 1.00 0.00 H new ATOM 0 HG1 THR A 81 -2.565 -0.413 -11.527 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.220 1.254 -12.133 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.152 1.670 -11.078 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.120 0.102 -11.920 1.00 0.00 H new ATOM 1220 N VAL A 82 1.960 0.536 -8.760 1.00 0.00 N ATOM 1221 CA VAL A 82 2.953 1.484 -8.260 1.00 0.00 C ATOM 1222 C VAL A 82 3.878 1.987 -9.372 1.00 0.00 C ATOM 1223 O VAL A 82 3.800 1.531 -10.515 1.00 0.00 O ATOM 1224 CB VAL A 82 3.805 0.855 -7.130 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.915 0.176 -6.100 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.815 -0.137 -7.694 1.00 0.00 C ATOM 0 H VAL A 82 2.359 -0.291 -9.204 1.00 0.00 H new ATOM 0 HA VAL A 82 2.398 2.334 -7.864 1.00 0.00 H new ATOM 0 HB VAL A 82 4.354 1.658 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.534 -0.259 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.238 0.910 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.335 -0.610 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.400 -0.564 -6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.288 -0.934 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.480 0.376 -8.388 1.00 0.00 H new ATOM 1236 N GLN A 83 4.755 2.928 -9.023 1.00 0.00 N ATOM 1237 CA GLN A 83 5.701 3.500 -9.978 1.00 0.00 C ATOM 1238 C GLN A 83 7.000 3.896 -9.277 1.00 0.00 C ATOM 1239 O GLN A 83 6.999 4.217 -8.085 1.00 0.00 O ATOM 1240 CB GLN A 83 5.081 4.719 -10.672 1.00 0.00 C ATOM 1241 CG GLN A 83 5.988 5.365 -11.710 1.00 0.00 C ATOM 1242 CD GLN A 83 5.291 6.451 -12.510 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.284 6.421 -13.741 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.701 7.420 -11.816 1.00 0.00 N ATOM 0 H GLN A 83 4.829 3.311 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 83 5.931 2.745 -10.730 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.151 4.417 -11.154 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.822 5.462 -9.917 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.858 5.791 -11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 83 6.356 4.598 -12.392 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.730 7.407 -10.796 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.219 8.176 -12.303 1.00 0.00 H new ATOM 1253 N GLY A 84 8.106 3.872 -10.023 1.00 0.00 N ATOM 1254 CA GLY A 84 9.395 4.232 -9.458 1.00 0.00 C ATOM 1255 C GLY A 84 10.398 4.673 -10.511 1.00 0.00 C ATOM 1256 O GLY A 84 10.013 5.133 -11.589 1.00 0.00 O ATOM 0 H GLY A 84 8.130 3.609 -11.008 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.258 5.036 -8.735 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.799 3.379 -8.913 1.00 0.00 H new ATOM 1260 N ARG A 85 11.684 4.530 -10.195 1.00 0.00 N ATOM 1261 CA ARG A 85 12.752 4.912 -11.117 1.00 0.00 C ATOM 1262 C ARG A 85 13.904 3.910 -11.062 1.00 0.00 C ATOM 1263 O ARG A 85 14.698 3.915 -10.118 1.00 0.00 O ATOM 1264 CB ARG A 85 13.263 6.320 -10.789 1.00 0.00 C ATOM 1265 CG ARG A 85 12.958 7.343 -11.870 1.00 0.00 C ATOM 1266 CD ARG A 85 13.811 8.593 -11.720 1.00 0.00 C ATOM 1267 NE ARG A 85 13.159 9.771 -12.291 1.00 0.00 N ATOM 1268 CZ ARG A 85 13.122 10.049 -13.600 1.00 0.00 C ATOM 1269 NH1 ARG A 85 13.685 9.224 -14.482 1.00 0.00 N ATOM 1270 NH2 ARG A 85 12.515 11.153 -14.027 1.00 0.00 N ATOM 0 H ARG A 85 12.012 4.152 -9.306 1.00 0.00 H new ATOM 0 HA ARG A 85 12.343 4.911 -12.127 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.817 6.650 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 85 14.341 6.279 -10.632 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.132 6.899 -12.850 1.00 0.00 H new ATOM 0 HG3 ARG A 85 11.903 7.615 -11.826 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.016 8.768 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.772 8.437 -12.210 1.00 0.00 H new ATOM 0 HE ARG A 85 12.704 10.422 -11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.148 8.374 -14.161 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.653 9.443 -15.478 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.078 11.787 -13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.486 11.366 -15.024 1.00 0.00 H new ATOM 1284 N PRO A 86 14.008 3.030 -12.079 1.00 0.00 N ATOM 1285 CA PRO A 86 15.069 2.015 -12.144 1.00 0.00 C ATOM 1286 C PRO A 86 16.452 2.632 -12.354 1.00 0.00 C ATOM 1287 O PRO A 86 16.574 3.715 -12.931 1.00 0.00 O ATOM 1288 CB PRO A 86 14.669 1.156 -13.349 1.00 0.00 C ATOM 1289 CG PRO A 86 13.826 2.049 -14.192 1.00 0.00 C ATOM 1290 CD PRO A 86 13.101 2.955 -13.239 1.00 0.00 C ATOM 0 HA PRO A 86 15.152 1.451 -11.215 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.546 0.809 -13.895 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.116 0.270 -13.037 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.439 2.623 -14.886 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.123 1.470 -14.791 1.00 0.00 H new ATOM 0 HD2 PRO A 86 12.925 3.938 -13.675 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.128 2.550 -12.962 1.00 0.00 H new ATOM 1298 N PRO A 87 17.516 1.949 -11.880 1.00 0.00 N ATOM 1299 CA PRO A 87 18.897 2.435 -12.009 1.00 0.00 C ATOM 1300 C PRO A 87 19.273 2.769 -13.450 1.00 0.00 C ATOM 1301 O PRO A 87 18.948 2.024 -14.376 1.00 0.00 O ATOM 1302 CB PRO A 87 19.741 1.264 -11.493 1.00 0.00 C ATOM 1303 CG PRO A 87 18.831 0.503 -10.594 1.00 0.00 C ATOM 1304 CD PRO A 87 17.453 0.653 -11.175 1.00 0.00 C ATOM 0 HA PRO A 87 19.048 3.363 -11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.097 0.641 -12.314 1.00 0.00 H new ATOM 0 HB3 PRO A 87 20.621 1.618 -10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 87 19.121 -0.547 -10.543 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.870 0.894 -9.577 1.00 0.00 H new ATOM 0 HD2 PRO A 87 17.214 -0.163 -11.856 1.00 0.00 H new ATOM 0 HD3 PRO A 87 16.688 0.655 -10.399 1.00 0.00 H new ATOM 1312 N GLY A 88 19.967 3.894 -13.628 1.00 0.00 N ATOM 1313 CA GLY A 88 20.389 4.315 -14.955 1.00 0.00 C ATOM 1314 C GLY A 88 21.838 3.962 -15.240 1.00 0.00 C ATOM 1315 O GLY A 88 22.569 4.757 -15.833 1.00 0.00 O ATOM 0 H GLY A 88 20.245 4.522 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 88 19.750 3.846 -15.703 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.254 5.392 -15.051 1.00 0.00 H new ATOM 1319 N SER A 89 22.253 2.769 -14.813 1.00 0.00 N ATOM 1320 CA SER A 89 23.624 2.310 -15.022 1.00 0.00 C ATOM 1321 C SER A 89 23.645 0.886 -15.575 1.00 0.00 C ATOM 1322 O SER A 89 22.826 0.059 -15.120 1.00 0.00 O ATOM 1323 CB SER A 89 24.423 2.371 -13.713 1.00 0.00 C ATOM 1324 OG SER A 89 23.875 3.320 -12.812 1.00 0.00 O ATOM 1325 OXT SER A 89 24.487 0.609 -16.454 1.00 0.00 O ATOM 0 H SER A 89 21.658 2.103 -14.320 1.00 0.00 H new ATOM 0 HA SER A 89 24.089 2.974 -15.751 1.00 0.00 H new ATOM 0 HB2 SER A 89 24.432 1.387 -13.245 1.00 0.00 H new ATOM 0 HB3 SER A 89 25.459 2.630 -13.930 1.00 0.00 H new ATOM 0 HG SER A 89 24.405 3.333 -11.988 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -2.903 21.410 8.874 1.00 0.00 N ATOM 1333 CA VAL B 90 -3.554 20.304 8.118 1.00 0.00 C ATOM 1334 C VAL B 90 -3.012 18.945 8.561 1.00 0.00 C ATOM 1335 O VAL B 90 -1.818 18.804 8.838 1.00 0.00 O ATOM 1336 CB VAL B 90 -3.344 20.460 6.591 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -4.198 19.466 5.811 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -3.651 21.885 6.152 1.00 0.00 C ATOM 0 HA VAL B 90 -4.621 20.357 8.335 1.00 0.00 H new ATOM 0 HB VAL B 90 -2.297 20.246 6.374 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -4.028 19.600 4.743 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -3.926 18.450 6.097 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -5.251 19.636 6.035 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -3.498 21.975 5.077 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -4.687 22.125 6.392 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -2.988 22.577 6.672 1.00 0.00 H new ATOM 1350 N GLU B 91 -3.899 17.952 8.628 1.00 0.00 N ATOM 1351 CA GLU B 91 -3.523 16.600 9.040 1.00 0.00 C ATOM 1352 C GLU B 91 -2.580 15.951 8.025 1.00 0.00 C ATOM 1353 O GLU B 91 -2.514 16.369 6.867 1.00 0.00 O ATOM 1354 CB GLU B 91 -4.774 15.734 9.218 1.00 0.00 C ATOM 1355 CG GLU B 91 -4.579 14.576 10.184 1.00 0.00 C ATOM 1356 CD GLU B 91 -5.764 14.384 11.111 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -5.778 15.007 12.194 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -6.677 13.609 10.755 1.00 0.00 O ATOM 0 H GLU B 91 -4.888 18.060 8.401 1.00 0.00 H new ATOM 0 HA GLU B 91 -2.998 16.675 9.992 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -5.592 16.360 9.575 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -5.074 15.340 8.247 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -4.413 13.659 9.618 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -3.682 14.750 10.778 1.00 0.00 H new ATOM 1365 N ASN B 92 -1.850 14.927 8.474 1.00 0.00 N ATOM 1366 CA ASN B 92 -0.904 14.213 7.615 1.00 0.00 C ATOM 1367 C ASN B 92 -1.479 12.880 7.129 1.00 0.00 C ATOM 1368 O ASN B 92 -2.563 12.467 7.548 1.00 0.00 O ATOM 1369 CB ASN B 92 0.410 13.963 8.366 1.00 0.00 C ATOM 1370 CG ASN B 92 1.169 15.241 8.678 1.00 0.00 C ATOM 1371 OD1 ASN B 92 1.086 16.226 7.942 1.00 0.00 O ATOM 1372 ND2 ASN B 92 1.920 15.231 9.775 1.00 0.00 N ATOM 0 H ASN B 92 -1.897 14.574 9.430 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.714 14.840 6.744 1.00 0.00 H new ATOM 0 HB2 ASN B 92 0.196 13.438 9.297 1.00 0.00 H new ATOM 0 HB3 ASN B 92 1.044 13.307 7.769 1.00 0.00 H new ATOM 0 HD21 ASN B 92 2.455 16.060 10.034 1.00 0.00 H new ATOM 0 HD22 ASN B 92 1.961 14.395 10.357 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.740 12.212 6.238 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.163 10.926 5.685 1.00 0.00 C ATOM 1381 C LYS B 93 -0.050 9.879 5.806 1.00 0.00 C ATOM 1382 O LYS B 93 0.638 9.574 4.831 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.577 11.098 4.215 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.081 11.042 3.995 1.00 0.00 C ATOM 1385 CD LYS B 93 -3.759 12.338 4.412 1.00 0.00 C ATOM 1386 CE LYS B 93 -5.083 12.073 5.107 1.00 0.00 C ATOM 1387 NZ LYS B 93 -5.819 13.333 5.409 1.00 0.00 N ATOM 0 H LYS B 93 0.157 12.544 5.884 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.020 10.572 6.259 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.200 12.053 3.850 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.102 10.319 3.619 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.288 10.845 2.943 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.501 10.212 4.563 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.102 12.896 5.079 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -3.926 12.962 3.534 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.702 11.434 4.476 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -4.903 11.528 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -6.716 13.106 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -5.241 13.932 6.032 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -6.014 13.842 4.523 1.00 0.00 H new ATOM 1401 N VAL B 94 0.118 9.330 7.011 1.00 0.00 N ATOM 1402 CA VAL B 94 1.144 8.313 7.257 1.00 0.00 C ATOM 1403 C VAL B 94 0.513 7.005 7.742 1.00 0.00 C ATOM 1404 O VAL B 94 -0.396 7.018 8.572 1.00 0.00 O ATOM 1405 CB VAL B 94 2.181 8.789 8.299 1.00 0.00 C ATOM 1406 CG1 VAL B 94 3.078 9.871 7.711 1.00 0.00 C ATOM 1407 CG2 VAL B 94 1.491 9.283 9.566 1.00 0.00 C ATOM 0 H VAL B 94 -0.441 9.571 7.829 1.00 0.00 H new ATOM 0 HA VAL B 94 1.653 8.143 6.308 1.00 0.00 H new ATOM 0 HB VAL B 94 2.807 7.938 8.568 1.00 0.00 H new ATOM 0 HG11 VAL B 94 3.801 10.192 8.461 1.00 0.00 H new ATOM 0 HG12 VAL B 94 3.607 9.474 6.844 1.00 0.00 H new ATOM 0 HG13 VAL B 94 2.469 10.722 7.406 1.00 0.00 H new ATOM 0 HG21 VAL B 94 2.242 9.613 10.284 1.00 0.00 H new ATOM 0 HG22 VAL B 94 0.833 10.117 9.321 1.00 0.00 H new ATOM 0 HG23 VAL B 94 0.904 8.473 10.000 1.00 0.00 H new ATOM 1417 N THR B 95 0.995 5.878 7.214 1.00 0.00 N ATOM 1418 CA THR B 95 0.467 4.564 7.590 1.00 0.00 C ATOM 1419 C THR B 95 1.589 3.521 7.650 1.00 0.00 C ATOM 1420 O THR B 95 2.637 3.687 7.024 1.00 0.00 O ATOM 1421 CB THR B 95 -0.609 4.117 6.587 1.00 0.00 C ATOM 1422 OG1 THR B 95 -1.274 5.237 6.018 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.668 3.219 7.195 1.00 0.00 C ATOM 0 H THR B 95 1.748 5.848 6.527 1.00 0.00 H new ATOM 0 HA THR B 95 0.020 4.649 8.581 1.00 0.00 H new ATOM 0 HB THR B 95 -0.067 3.552 5.828 1.00 0.00 H new ATOM 0 HG1 THR B 95 -1.953 4.927 5.383 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.394 2.943 6.430 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.198 2.319 7.591 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.175 3.749 8.002 1.00 0.00 H new ATOM 1431 N ASP B 96 1.364 2.447 8.407 1.00 0.00 N ATOM 1432 CA ASP B 96 2.355 1.381 8.545 1.00 0.00 C ATOM 1433 C ASP B 96 1.684 0.039 8.827 1.00 0.00 C ATOM 1434 O ASP B 96 0.561 -0.010 9.335 1.00 0.00 O ATOM 1435 CB ASP B 96 3.361 1.718 9.659 1.00 0.00 C ATOM 1436 CG ASP B 96 2.730 1.821 11.041 1.00 0.00 C ATOM 1437 OD1 ASP B 96 1.593 2.327 11.148 1.00 0.00 O ATOM 1438 OD2 ASP B 96 3.380 1.397 12.020 1.00 0.00 O ATOM 0 H ASP B 96 0.504 2.293 8.934 1.00 0.00 H new ATOM 0 HA ASP B 96 2.893 1.301 7.600 1.00 0.00 H new ATOM 0 HB2 ASP B 96 4.137 0.953 9.679 1.00 0.00 H new ATOM 0 HB3 ASP B 96 3.851 2.662 9.421 1.00 0.00 H new ATOM 1443 N LEU B 97 2.377 -1.045 8.481 1.00 0.00 N ATOM 1444 CA LEU B 97 1.859 -2.398 8.681 1.00 0.00 C ATOM 1445 C LEU B 97 2.987 -3.384 9.002 1.00 0.00 C ATOM 1446 O LEU B 97 2.690 -4.451 9.582 1.00 0.00 O ATOM 1447 CB LEU B 97 1.106 -2.857 7.426 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.351 -3.270 7.653 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.291 -2.359 6.875 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -0.559 -4.722 7.249 1.00 0.00 C ATOM 1451 OXT LEU B 97 4.154 -3.088 8.662 1.00 0.00 O ATOM 0 H LEU B 97 3.305 -1.012 8.058 1.00 0.00 H new ATOM 0 HA LEU B 97 1.176 -2.378 9.530 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.128 -2.050 6.693 1.00 0.00 H new ATOM 0 HB3 LEU B 97 1.642 -3.700 6.988 1.00 0.00 H new ATOM 0 HG LEU B 97 -0.578 -3.171 8.715 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.322 -2.667 7.048 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -1.159 -1.330 7.209 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.066 -2.427 5.811 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -1.599 -5.001 7.416 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -0.316 -4.844 6.194 1.00 0.00 H new ATOM 0 HD23 LEU B 97 0.089 -5.363 7.847 1.00 0.00 H new TER 1463 LEU B 97