USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 796 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 67 THR OG1 : rot 89:sc= 0.302 USER MOD Set 1.2: A 72 TYR OH : rot 150:sc= 0.413 USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 35 SER OG : rot -65:sc= -0.141! USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= 0.906 USER MOD Set 3.2: A 62 THR OG1 : rot -128:sc= 1.18 USER MOD Set 4.1: A 14 THR OG1 : rot 84:sc= 1.18 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= -0.0432 USER MOD Single : A 0 SER N :NH3+ 138:sc= 0.0689 (180deg=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN :FLIP amide:sc= -0.783 F(o=-2.1,f=-0.78) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 174:sc= -0.253 (180deg=-0.259) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.2 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.282 (180deg=-1.5!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.5) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.0145 (180deg=-0.201) USER MOD Single : A 52 ASN : amide:sc= -1.37 K(o=-1.4,f=-5.8!) USER MOD Single : A 54 SER OG : rot -122:sc= 0.529 USER MOD Single : A 55 ASN : amide:sc= -0.0497 X(o=-0.05,f=0) USER MOD Single : A 59 ASN : amide:sc= -6.22! C(o=-6.2!,f=-12!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0727 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -14! C(o=-14!,f=-18!) USER MOD Single : A 86 SER OG : rot -129:sc= 0.538 USER MOD Single : A 89 SER OG : rot 82:sc= 0.388 USER MOD Single : A 92 SER OG : rot -100:sc= 0.73 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 74:sc= 0.191 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 -22.795 -6.919 -4.338 1.00 2.05 N ATOM 2 CA SER A 0 -22.644 -5.583 -4.971 1.00 1.55 C ATOM 3 C SER A 0 -21.303 -5.458 -5.690 1.00 1.39 C ATOM 4 O SER A 0 -20.388 -6.248 -5.459 1.00 1.50 O ATOM 5 CB SER A 0 -22.759 -4.513 -3.883 1.00 2.08 C ATOM 6 OG SER A 0 -24.066 -3.968 -3.840 1.00 2.74 O ATOM 0 H1 SER A 0 -23.215 -6.810 -3.393 1.00 2.05 H new ATOM 0 H2 SER A 0 -23.414 -7.513 -4.925 1.00 2.05 H new ATOM 0 H3 SER A 0 -21.862 -7.370 -4.252 1.00 2.05 H new ATOM 0 HA SER A 0 -23.429 -5.451 -5.716 1.00 1.55 H new ATOM 0 HB2 SER A 0 -22.510 -4.947 -2.914 1.00 2.08 H new ATOM 0 HB3 SER A 0 -22.037 -3.719 -4.072 1.00 2.08 H new ATOM 0 HG SER A 0 -24.114 -3.288 -3.136 1.00 2.74 H new ATOM 12 N PRO A 1 -21.170 -4.459 -6.581 1.00 1.23 N ATOM 13 CA PRO A 1 -19.951 -4.225 -7.338 1.00 1.19 C ATOM 14 C PRO A 1 -18.988 -3.290 -6.613 1.00 1.24 C ATOM 15 O PRO A 1 -18.850 -2.122 -6.976 1.00 2.06 O ATOM 16 CB PRO A 1 -20.461 -3.579 -8.631 1.00 1.18 C ATOM 17 CG PRO A 1 -21.845 -3.071 -8.335 1.00 1.26 C ATOM 18 CD PRO A 1 -22.198 -3.475 -6.924 1.00 1.24 C ATOM 0 HA PRO A 1 -19.384 -5.142 -7.498 1.00 1.19 H new ATOM 0 HB2 PRO A 1 -19.807 -2.765 -8.942 1.00 1.18 H new ATOM 0 HB3 PRO A 1 -20.479 -4.303 -9.446 1.00 1.18 H new ATOM 0 HG2 PRO A 1 -21.884 -1.987 -8.442 1.00 1.26 H new ATOM 0 HG3 PRO A 1 -22.563 -3.487 -9.042 1.00 1.26 H new ATOM 0 HD2 PRO A 1 -22.179 -2.622 -6.246 1.00 1.24 H new ATOM 0 HD3 PRO A 1 -23.198 -3.904 -6.868 1.00 1.24 H new ATOM 26 N ILE A 2 -18.325 -3.814 -5.589 1.00 0.68 N ATOM 27 CA ILE A 2 -17.372 -3.033 -4.810 1.00 0.61 C ATOM 28 C ILE A 2 -16.154 -2.668 -5.654 1.00 0.57 C ATOM 29 O ILE A 2 -15.742 -3.428 -6.530 1.00 0.63 O ATOM 30 CB ILE A 2 -16.919 -3.808 -3.553 1.00 0.62 C ATOM 31 CG1 ILE A 2 -15.846 -3.025 -2.776 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.410 -5.189 -3.948 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.095 -3.846 -1.745 1.00 0.56 C ATOM 0 H ILE A 2 -18.430 -4.780 -5.278 1.00 0.68 H new ATOM 0 HA ILE A 2 -17.874 -2.118 -4.496 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.777 -3.929 -2.892 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.129 -2.612 -3.486 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.321 -2.181 -2.275 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -16.093 -5.729 -3.056 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -17.208 -5.743 -4.443 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.565 -5.084 -4.629 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.359 -3.217 -1.245 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.798 -4.237 -1.009 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.588 -4.675 -2.239 1.00 0.56 H new ATOM 45 N ASP A 3 -15.580 -1.500 -5.382 1.00 0.55 N ATOM 46 CA ASP A 3 -14.408 -1.035 -6.113 1.00 0.54 C ATOM 47 C ASP A 3 -13.278 -0.684 -5.150 1.00 0.47 C ATOM 48 O ASP A 3 -13.499 0.000 -4.150 1.00 0.49 O ATOM 49 CB ASP A 3 -14.762 0.187 -6.963 1.00 0.61 C ATOM 50 CG ASP A 3 -15.443 -0.190 -8.263 1.00 1.15 C ATOM 51 OD1 ASP A 3 -16.456 -0.918 -8.212 1.00 1.64 O ATOM 52 OD2 ASP A 3 -14.963 0.242 -9.332 1.00 2.00 O ATOM 0 H ASP A 3 -15.908 -0.859 -4.660 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.074 -1.840 -6.768 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -15.416 0.846 -6.392 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -13.854 0.749 -7.182 1.00 0.61 H new ATOM 57 N PRO A 4 -12.049 -1.147 -5.433 1.00 0.44 N ATOM 58 CA PRO A 4 -10.898 -0.871 -4.582 1.00 0.41 C ATOM 59 C PRO A 4 -10.292 0.502 -4.863 1.00 0.38 C ATOM 60 O PRO A 4 -10.528 1.090 -5.919 1.00 0.43 O ATOM 61 CB PRO A 4 -9.926 -1.986 -4.953 1.00 0.45 C ATOM 62 CG PRO A 4 -10.223 -2.283 -6.385 1.00 0.50 C ATOM 63 CD PRO A 4 -11.685 -1.970 -6.600 1.00 0.50 C ATOM 0 HA PRO A 4 -11.154 -0.849 -3.523 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -8.891 -1.670 -4.820 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.074 -2.866 -4.327 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.597 -1.680 -7.043 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.013 -3.328 -6.615 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -11.845 -1.431 -7.534 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.285 -2.879 -6.650 1.00 0.50 H new ATOM 71 N PRO A 5 -9.508 1.035 -3.913 1.00 0.37 N ATOM 72 CA PRO A 5 -8.875 2.351 -4.055 1.00 0.39 C ATOM 73 C PRO A 5 -8.054 2.484 -5.332 1.00 0.38 C ATOM 74 O PRO A 5 -7.920 1.535 -6.106 1.00 0.47 O ATOM 75 CB PRO A 5 -7.970 2.448 -2.826 1.00 0.46 C ATOM 76 CG PRO A 5 -8.584 1.530 -1.831 1.00 0.71 C ATOM 77 CD PRO A 5 -9.185 0.404 -2.621 1.00 0.43 C ATOM 0 HA PRO A 5 -9.619 3.145 -4.121 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -6.948 2.150 -3.062 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -7.925 3.469 -2.447 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.837 1.159 -1.130 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -9.345 2.044 -1.244 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -8.485 -0.423 -2.740 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.074 0.001 -2.136 1.00 0.43 H new ATOM 85 N GLY A 6 -7.510 3.678 -5.542 1.00 0.37 N ATOM 86 CA GLY A 6 -6.706 3.943 -6.725 1.00 0.39 C ATOM 87 C GLY A 6 -5.323 3.317 -6.652 1.00 0.42 C ATOM 88 O GLY A 6 -4.921 2.805 -5.608 1.00 0.66 O ATOM 0 H GLY A 6 -7.612 4.473 -4.911 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.226 3.562 -7.604 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.605 5.020 -6.856 1.00 0.39 H new ATOM 92 N LYS A 7 -4.593 3.364 -7.765 1.00 0.41 N ATOM 93 CA LYS A 7 -3.244 2.806 -7.823 1.00 0.44 C ATOM 94 C LYS A 7 -2.320 3.559 -6.866 1.00 0.37 C ATOM 95 O LYS A 7 -2.116 4.763 -7.018 1.00 0.42 O ATOM 96 CB LYS A 7 -2.697 2.886 -9.252 1.00 0.54 C ATOM 97 CG LYS A 7 -1.221 2.535 -9.364 1.00 0.64 C ATOM 98 CD LYS A 7 -0.997 1.372 -10.317 1.00 1.01 C ATOM 99 CE LYS A 7 0.483 1.138 -10.574 1.00 0.95 C ATOM 100 NZ LYS A 7 0.765 0.916 -12.018 1.00 1.52 N ATOM 0 H LYS A 7 -4.913 3.783 -8.638 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.287 1.759 -7.522 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.271 2.213 -9.889 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.851 3.895 -9.634 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.664 3.405 -9.712 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.830 2.280 -8.379 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -1.442 0.468 -9.901 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.504 1.571 -11.261 1.00 1.01 H new ATOM 0 HE2 LYS A 7 1.054 1.997 -10.220 1.00 0.95 H new ATOM 0 HE3 LYS A 7 0.819 0.274 -10.001 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.784 0.760 -12.153 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.240 0.082 -12.350 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 0.468 1.751 -12.562 1.00 1.52 H new ATOM 114 N PRO A 8 -1.752 2.871 -5.858 1.00 0.34 N ATOM 115 CA PRO A 8 -0.858 3.505 -4.876 1.00 0.32 C ATOM 116 C PRO A 8 0.430 4.025 -5.500 1.00 0.33 C ATOM 117 O PRO A 8 1.059 3.345 -6.312 1.00 0.44 O ATOM 118 CB PRO A 8 -0.564 2.373 -3.882 1.00 0.39 C ATOM 119 CG PRO A 8 -1.679 1.409 -4.094 1.00 0.44 C ATOM 120 CD PRO A 8 -1.927 1.434 -5.570 1.00 0.41 C ATOM 0 HA PRO A 8 -1.315 4.383 -4.420 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.404 1.912 -4.077 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -0.542 2.739 -2.855 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -1.408 0.409 -3.755 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.569 1.704 -3.538 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -1.218 0.814 -6.118 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.925 1.080 -5.827 1.00 0.41 H new ATOM 128 N VAL A 9 0.815 5.240 -5.118 1.00 0.34 N ATOM 129 CA VAL A 9 2.028 5.854 -5.646 1.00 0.38 C ATOM 130 C VAL A 9 2.866 6.492 -4.539 1.00 0.34 C ATOM 131 O VAL A 9 2.531 7.570 -4.040 1.00 0.35 O ATOM 132 CB VAL A 9 1.707 6.940 -6.695 1.00 0.43 C ATOM 133 CG1 VAL A 9 2.896 7.150 -7.619 1.00 0.53 C ATOM 134 CG2 VAL A 9 0.460 6.582 -7.490 1.00 1.09 C ATOM 0 H VAL A 9 0.306 5.816 -4.447 1.00 0.34 H new ATOM 0 HA VAL A 9 2.593 5.048 -6.114 1.00 0.38 H new ATOM 0 HB VAL A 9 1.508 7.874 -6.169 1.00 0.43 H new ATOM 0 HG11 VAL A 9 2.655 7.919 -8.353 1.00 0.53 H new ATOM 0 HG12 VAL A 9 3.760 7.465 -7.034 1.00 0.53 H new ATOM 0 HG13 VAL A 9 3.127 6.217 -8.133 1.00 0.53 H new ATOM 0 HG21 VAL A 9 0.258 7.364 -8.221 1.00 1.09 H new ATOM 0 HG22 VAL A 9 0.617 5.635 -8.006 1.00 1.09 H new ATOM 0 HG23 VAL A 9 -0.389 6.490 -6.813 1.00 1.09 H new ATOM 144 N PRO A 10 3.969 5.835 -4.131 1.00 0.34 N ATOM 145 CA PRO A 10 4.835 6.356 -3.087 1.00 0.32 C ATOM 146 C PRO A 10 5.204 7.823 -3.315 1.00 0.37 C ATOM 147 O PRO A 10 5.857 8.148 -4.308 1.00 0.64 O ATOM 148 CB PRO A 10 6.101 5.515 -3.180 1.00 0.38 C ATOM 149 CG PRO A 10 5.736 4.280 -3.931 1.00 0.39 C ATOM 150 CD PRO A 10 4.433 4.540 -4.647 1.00 0.42 C ATOM 0 HA PRO A 10 4.338 6.306 -2.118 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.892 6.061 -3.693 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.476 5.268 -2.187 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.519 4.022 -4.645 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.635 3.435 -3.250 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.576 4.573 -5.727 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.708 3.752 -4.446 1.00 0.42 H new ATOM 158 N LEU A 11 4.814 8.707 -2.401 1.00 0.34 N ATOM 159 CA LEU A 11 5.149 10.122 -2.535 1.00 0.43 C ATOM 160 C LEU A 11 6.613 10.322 -2.181 1.00 0.43 C ATOM 161 O LEU A 11 7.298 11.180 -2.737 1.00 0.57 O ATOM 162 CB LEU A 11 4.273 10.983 -1.623 1.00 0.56 C ATOM 163 CG LEU A 11 2.791 10.621 -1.613 1.00 0.92 C ATOM 164 CD1 LEU A 11 2.232 10.750 -0.204 1.00 1.12 C ATOM 165 CD2 LEU A 11 2.021 11.504 -2.584 1.00 1.64 C ATOM 0 H LEU A 11 4.272 8.473 -1.569 1.00 0.34 H new ATOM 0 HA LEU A 11 4.968 10.429 -3.565 1.00 0.43 H new ATOM 0 HB2 LEU A 11 4.655 10.910 -0.605 1.00 0.56 H new ATOM 0 HB3 LEU A 11 4.374 12.025 -1.927 1.00 0.56 H new ATOM 0 HG LEU A 11 2.679 9.586 -1.936 1.00 0.92 H new ATOM 0 HD11 LEU A 11 1.174 10.490 -0.207 1.00 1.12 H new ATOM 0 HD12 LEU A 11 2.769 10.077 0.464 1.00 1.12 H new ATOM 0 HD13 LEU A 11 2.352 11.776 0.142 1.00 1.12 H new ATOM 0 HD21 LEU A 11 0.966 11.232 -2.564 1.00 1.64 H new ATOM 0 HD22 LEU A 11 2.132 12.548 -2.293 1.00 1.64 H new ATOM 0 HD23 LEU A 11 2.413 11.365 -3.592 1.00 1.64 H new ATOM 177 N ASN A 12 7.079 9.501 -1.249 1.00 0.34 N ATOM 178 CA ASN A 12 8.459 9.541 -0.795 1.00 0.36 C ATOM 179 C ASN A 12 8.884 8.142 -0.389 1.00 0.37 C ATOM 180 O ASN A 12 8.041 7.305 -0.084 1.00 0.58 O ATOM 181 CB ASN A 12 8.614 10.502 0.383 1.00 0.42 C ATOM 182 CG ASN A 12 10.068 10.774 0.718 1.00 0.58 C ATOM 183 OD1 ASN A 12 10.706 9.826 1.395 1.00 0.72 O flip ATOM 184 ND2 ASN A 12 10.612 11.822 0.369 1.00 0.71 N flip ATOM 0 H ASN A 12 6.510 8.790 -0.788 1.00 0.34 H new ATOM 0 HA ASN A 12 9.093 9.899 -1.606 1.00 0.36 H new ATOM 0 HB2 ASN A 12 8.115 11.443 0.149 1.00 0.42 H new ATOM 0 HB3 ASN A 12 8.114 10.085 1.257 1.00 0.42 H new ATOM 0 HD21 ASN A 12 10.083 12.523 -0.150 1.00 0.71 H new ATOM 0 HD22 ASN A 12 11.592 11.989 0.599 1.00 0.71 H new ATOM 191 N ILE A 13 10.180 7.878 -0.388 1.00 0.38 N ATOM 192 CA ILE A 13 10.667 6.560 -0.019 1.00 0.43 C ATOM 193 C ILE A 13 11.933 6.650 0.824 1.00 0.53 C ATOM 194 O ILE A 13 13.036 6.811 0.302 1.00 0.75 O ATOM 195 CB ILE A 13 10.908 5.701 -1.267 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.646 6.515 -2.335 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.569 5.187 -1.796 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.656 5.861 -3.698 1.00 0.96 C ATOM 0 H ILE A 13 10.906 8.550 -0.635 1.00 0.38 H new ATOM 0 HA ILE A 13 9.898 6.081 0.587 1.00 0.43 H new ATOM 0 HB ILE A 13 11.532 4.846 -1.007 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.181 7.497 -2.416 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.674 6.675 -2.011 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.738 4.576 -2.683 1.00 0.53 H new ATOM 0 HG22 ILE A 13 9.081 4.585 -1.029 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.931 6.032 -2.054 1.00 0.53 H new ATOM 0 HD11 ILE A 13 12.196 6.495 -4.402 1.00 0.96 H new ATOM 0 HD12 ILE A 13 12.148 4.891 -3.632 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.631 5.726 -4.044 1.00 0.96 H new ATOM 210 N THR A 14 11.756 6.558 2.142 1.00 0.59 N ATOM 211 CA THR A 14 12.868 6.642 3.084 1.00 0.71 C ATOM 212 C THR A 14 13.521 5.289 3.328 1.00 0.79 C ATOM 213 O THR A 14 13.769 4.919 4.470 1.00 1.46 O ATOM 214 CB THR A 14 12.392 7.249 4.406 1.00 0.75 C ATOM 215 OG1 THR A 14 11.010 7.557 4.346 1.00 0.69 O ATOM 216 CG2 THR A 14 13.129 8.517 4.776 1.00 0.94 C ATOM 0 H THR A 14 10.846 6.424 2.582 1.00 0.59 H new ATOM 0 HA THR A 14 13.625 7.288 2.639 1.00 0.71 H new ATOM 0 HB THR A 14 12.595 6.493 5.165 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.487 6.753 4.548 1.00 0.69 H new ATOM 0 HG21 THR A 14 12.745 8.898 5.723 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.193 8.303 4.875 1.00 0.94 H new ATOM 0 HG23 THR A 14 12.980 9.265 3.997 1.00 0.94 H new ATOM 224 N ARG A 15 13.816 4.576 2.241 1.00 0.66 N ATOM 225 CA ARG A 15 14.472 3.267 2.308 1.00 0.67 C ATOM 226 C ARG A 15 13.750 2.292 3.242 1.00 0.71 C ATOM 227 O ARG A 15 13.074 1.371 2.788 1.00 1.19 O ATOM 228 CB ARG A 15 15.949 3.401 2.737 1.00 0.80 C ATOM 229 CG ARG A 15 16.433 4.824 3.005 1.00 0.96 C ATOM 230 CD ARG A 15 16.415 5.152 4.488 1.00 1.13 C ATOM 231 NE ARG A 15 17.720 5.590 4.972 1.00 1.43 N ATOM 232 CZ ARG A 15 17.957 5.947 6.231 1.00 1.67 C ATOM 233 NH1 ARG A 15 16.979 5.916 7.126 1.00 1.90 N ATOM 234 NH2 ARG A 15 19.174 6.333 6.593 1.00 2.42 N ATOM 0 H ARG A 15 13.609 4.887 1.292 1.00 0.66 H new ATOM 0 HA ARG A 15 14.427 2.856 1.299 1.00 0.67 H new ATOM 0 HB2 ARG A 15 16.101 2.809 3.639 1.00 0.80 H new ATOM 0 HB3 ARG A 15 16.575 2.964 1.959 1.00 0.80 H new ATOM 0 HG2 ARG A 15 17.445 4.943 2.618 1.00 0.96 H new ATOM 0 HG3 ARG A 15 15.801 5.531 2.468 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.679 5.933 4.677 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.098 4.273 5.049 1.00 1.13 H new ATOM 0 HE ARG A 15 18.493 5.624 4.308 1.00 1.43 H new ATOM 0 HH11 ARG A 15 16.044 5.618 6.849 1.00 1.90 H new ATOM 0 HH12 ARG A 15 17.162 6.190 8.091 1.00 1.90 H new ATOM 0 HH21 ARG A 15 19.927 6.356 5.906 1.00 2.42 H new ATOM 0 HH22 ARG A 15 19.356 6.607 7.559 1.00 2.42 H new ATOM 248 N HIS A 16 13.907 2.495 4.546 1.00 0.50 N ATOM 249 CA HIS A 16 13.280 1.625 5.543 1.00 0.54 C ATOM 250 C HIS A 16 11.773 1.844 5.611 1.00 0.57 C ATOM 251 O HIS A 16 11.022 0.936 5.965 1.00 0.97 O ATOM 252 CB HIS A 16 13.893 1.861 6.923 1.00 0.67 C ATOM 253 CG HIS A 16 15.009 0.920 7.255 1.00 0.68 C ATOM 254 ND1 HIS A 16 14.901 -0.110 8.164 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.278 0.868 6.777 1.00 0.78 C ATOM 256 CE1 HIS A 16 16.082 -0.742 8.210 1.00 1.02 C ATOM 257 NE2 HIS A 16 16.952 -0.188 7.386 1.00 0.86 N ATOM 0 H HIS A 16 14.463 3.254 4.940 1.00 0.50 H new ATOM 0 HA HIS A 16 13.464 0.596 5.235 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.265 2.884 6.975 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.113 1.766 7.678 1.00 0.67 H new ATOM 0 HD2 HIS A 16 16.698 1.538 6.042 1.00 0.78 H new ATOM 0 HE1 HIS A 16 16.294 -1.594 8.839 1.00 1.02 H new ATOM 0 HE2 HIS A 16 17.918 -0.474 7.228 1.00 0.86 H new ATOM 265 N THR A 17 11.336 3.047 5.274 1.00 0.43 N ATOM 266 CA THR A 17 9.917 3.374 5.300 1.00 0.42 C ATOM 267 C THR A 17 9.549 4.222 4.094 1.00 0.38 C ATOM 268 O THR A 17 10.116 5.296 3.889 1.00 0.56 O ATOM 269 CB THR A 17 9.561 4.119 6.586 1.00 0.56 C ATOM 270 OG1 THR A 17 10.154 5.406 6.598 1.00 0.65 O ATOM 271 CG2 THR A 17 10.002 3.399 7.841 1.00 0.68 C ATOM 0 H THR A 17 11.942 3.813 4.979 1.00 0.43 H new ATOM 0 HA THR A 17 9.351 2.443 5.266 1.00 0.42 H new ATOM 0 HB THR A 17 8.473 4.183 6.590 1.00 0.56 H new ATOM 0 HG1 THR A 17 9.914 5.869 7.428 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.717 3.984 8.715 1.00 0.68 H new ATOM 0 HG22 THR A 17 9.523 2.421 7.887 1.00 0.68 H new ATOM 0 HG23 THR A 17 11.084 3.272 7.826 1.00 0.68 H new ATOM 279 N VAL A 18 8.607 3.742 3.292 1.00 0.27 N ATOM 280 CA VAL A 18 8.196 4.484 2.113 1.00 0.33 C ATOM 281 C VAL A 18 6.792 5.066 2.259 1.00 0.32 C ATOM 282 O VAL A 18 5.868 4.403 2.721 1.00 0.51 O ATOM 283 CB VAL A 18 8.288 3.630 0.826 1.00 0.44 C ATOM 284 CG1 VAL A 18 9.684 3.045 0.650 1.00 0.46 C ATOM 285 CG2 VAL A 18 7.217 2.563 0.762 1.00 0.80 C ATOM 0 H VAL A 18 8.121 2.856 3.435 1.00 0.27 H new ATOM 0 HA VAL A 18 8.898 5.313 2.021 1.00 0.33 H new ATOM 0 HB VAL A 18 8.102 4.299 -0.014 1.00 0.44 H new ATOM 0 HG11 VAL A 18 9.717 2.450 -0.263 1.00 0.46 H new ATOM 0 HG12 VAL A 18 10.412 3.854 0.582 1.00 0.46 H new ATOM 0 HG13 VAL A 18 9.924 2.412 1.504 1.00 0.46 H new ATOM 0 HG21 VAL A 18 7.326 1.992 -0.160 1.00 0.80 H new ATOM 0 HG22 VAL A 18 7.318 1.894 1.617 1.00 0.80 H new ATOM 0 HG23 VAL A 18 6.234 3.033 0.783 1.00 0.80 H new ATOM 295 N THR A 19 6.646 6.324 1.859 1.00 0.27 N ATOM 296 CA THR A 19 5.367 7.019 1.928 1.00 0.24 C ATOM 297 C THR A 19 4.631 6.885 0.602 1.00 0.22 C ATOM 298 O THR A 19 5.257 6.970 -0.449 1.00 0.34 O ATOM 299 CB THR A 19 5.582 8.497 2.240 1.00 0.28 C ATOM 300 OG1 THR A 19 6.021 8.675 3.575 1.00 0.35 O ATOM 301 CG2 THR A 19 4.327 9.322 2.051 1.00 0.32 C ATOM 0 H THR A 19 7.407 6.888 1.480 1.00 0.27 H new ATOM 0 HA THR A 19 4.771 6.570 2.723 1.00 0.24 H new ATOM 0 HB THR A 19 6.340 8.839 1.536 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.153 9.630 3.751 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.538 10.365 2.287 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.993 9.244 1.016 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.545 8.951 2.713 1.00 0.32 H new ATOM 309 N LEU A 20 3.307 6.686 0.664 1.00 0.28 N ATOM 310 CA LEU A 20 2.493 6.539 -0.546 1.00 0.26 C ATOM 311 C LEU A 20 1.086 7.110 -0.370 1.00 0.28 C ATOM 312 O LEU A 20 0.545 7.157 0.741 1.00 0.40 O ATOM 313 CB LEU A 20 2.395 5.070 -0.981 1.00 0.33 C ATOM 314 CG LEU A 20 3.220 4.064 -0.170 1.00 0.39 C ATOM 315 CD1 LEU A 20 2.323 2.998 0.427 1.00 0.52 C ATOM 316 CD2 LEU A 20 4.287 3.458 -1.050 1.00 0.50 C ATOM 0 H LEU A 20 2.781 6.624 1.536 1.00 0.28 H new ATOM 0 HA LEU A 20 3.000 7.110 -1.323 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.348 4.769 -0.936 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.702 5.001 -2.025 1.00 0.33 H new ATOM 0 HG LEU A 20 3.708 4.580 0.657 1.00 0.39 H new ATOM 0 HD11 LEU A 20 2.926 2.293 0.999 1.00 0.52 H new ATOM 0 HD12 LEU A 20 1.590 3.466 1.085 1.00 0.52 H new ATOM 0 HD13 LEU A 20 1.806 2.468 -0.373 1.00 0.52 H new ATOM 0 HD21 LEU A 20 4.873 2.743 -0.472 1.00 0.50 H new ATOM 0 HD22 LEU A 20 3.818 2.947 -1.891 1.00 0.50 H new ATOM 0 HD23 LEU A 20 4.942 4.246 -1.423 1.00 0.50 H new ATOM 328 N LYS A 21 0.503 7.538 -1.493 1.00 0.25 N ATOM 329 CA LYS A 21 -0.843 8.108 -1.499 1.00 0.31 C ATOM 330 C LYS A 21 -1.614 7.643 -2.734 1.00 0.31 C ATOM 331 O LYS A 21 -1.030 7.464 -3.805 1.00 0.51 O ATOM 332 CB LYS A 21 -0.762 9.640 -1.474 1.00 0.40 C ATOM 333 CG LYS A 21 -2.019 10.328 -0.968 1.00 0.81 C ATOM 334 CD LYS A 21 -3.195 10.110 -1.905 1.00 0.95 C ATOM 335 CE LYS A 21 -3.963 11.402 -2.148 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.416 12.166 -3.304 1.00 1.84 N ATOM 0 H LYS A 21 0.945 7.499 -2.411 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.372 7.765 -0.610 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.078 9.937 -0.846 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.548 9.997 -2.482 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -2.268 9.948 0.023 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.831 11.396 -0.862 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.836 9.715 -2.855 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.865 9.362 -1.482 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -5.013 11.171 -2.330 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -3.923 12.022 -1.252 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -3.967 13.038 -3.435 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.422 12.409 -3.120 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.477 11.585 -4.164 1.00 1.84 H new ATOM 350 N TRP A 22 -2.925 7.443 -2.588 1.00 0.25 N ATOM 351 CA TRP A 22 -3.749 6.996 -3.705 1.00 0.24 C ATOM 352 C TRP A 22 -5.102 7.698 -3.729 1.00 0.24 C ATOM 353 O TRP A 22 -5.379 8.571 -2.907 1.00 0.40 O ATOM 354 CB TRP A 22 -3.962 5.493 -3.626 1.00 0.27 C ATOM 355 CG TRP A 22 -4.438 5.033 -2.291 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.713 4.712 -1.943 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.640 4.842 -1.123 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.759 4.329 -0.626 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.497 4.402 -0.102 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.284 5.002 -0.844 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.039 4.118 1.177 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.832 4.716 0.430 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.713 4.277 1.427 1.00 0.32 C ATOM 0 H TRP A 22 -3.432 7.583 -1.714 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.219 7.250 -4.623 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.686 5.196 -4.384 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.026 4.988 -3.864 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.565 4.753 -2.606 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.596 4.038 -0.121 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.601 5.343 -1.608 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.715 3.781 1.949 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.783 4.833 0.661 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.331 4.061 2.414 1.00 0.32 H new ATOM 374 N ALA A 23 -5.938 7.298 -4.682 1.00 0.31 N ATOM 375 CA ALA A 23 -7.271 7.868 -4.831 1.00 0.33 C ATOM 376 C ALA A 23 -8.308 7.007 -4.119 1.00 0.36 C ATOM 377 O ALA A 23 -8.028 5.868 -3.748 1.00 0.83 O ATOM 378 CB ALA A 23 -7.618 8.000 -6.307 1.00 0.36 C ATOM 0 H ALA A 23 -5.713 6.576 -5.367 1.00 0.31 H new ATOM 0 HA ALA A 23 -7.278 8.858 -4.375 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.616 8.427 -6.409 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.893 8.652 -6.794 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.594 7.016 -6.776 1.00 0.36 H new ATOM 384 N LYS A 24 -9.506 7.549 -3.928 1.00 0.59 N ATOM 385 CA LYS A 24 -10.570 6.811 -3.257 1.00 0.61 C ATOM 386 C LYS A 24 -11.524 6.183 -4.278 1.00 0.59 C ATOM 387 O LYS A 24 -11.755 6.744 -5.351 1.00 0.69 O ATOM 388 CB LYS A 24 -11.312 7.735 -2.262 1.00 0.74 C ATOM 389 CG LYS A 24 -12.690 8.218 -2.706 1.00 1.21 C ATOM 390 CD LYS A 24 -13.781 7.244 -2.293 1.00 1.22 C ATOM 391 CE LYS A 24 -13.824 7.057 -0.784 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.100 6.432 -0.339 1.00 2.11 N ATOM 0 H LYS A 24 -9.764 8.490 -4.226 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.130 5.993 -2.686 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.421 7.205 -1.316 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -10.687 8.607 -2.069 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -12.891 9.197 -2.271 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -12.702 8.342 -3.789 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -14.747 7.609 -2.642 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -13.611 6.281 -2.775 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -12.986 6.434 -0.471 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.703 8.023 -0.295 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -15.050 6.228 0.680 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.889 7.084 -0.523 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -15.254 5.546 -0.862 1.00 2.11 H new ATOM 406 N PRO A 25 -12.088 5.008 -3.954 1.00 0.56 N ATOM 407 CA PRO A 25 -13.016 4.300 -4.834 1.00 0.63 C ATOM 408 C PRO A 25 -14.024 5.243 -5.480 1.00 0.75 C ATOM 409 O PRO A 25 -14.144 6.403 -5.088 1.00 0.89 O ATOM 410 CB PRO A 25 -13.726 3.304 -3.903 1.00 0.63 C ATOM 411 CG PRO A 25 -13.175 3.547 -2.530 1.00 0.71 C ATOM 412 CD PRO A 25 -11.873 4.273 -2.708 1.00 0.58 C ATOM 0 HA PRO A 25 -12.499 3.818 -5.664 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.805 3.456 -3.922 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.543 2.277 -4.220 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.869 4.139 -1.934 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -13.024 2.606 -2.002 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -11.664 4.942 -1.873 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.031 3.584 -2.783 1.00 0.58 H new ATOM 420 N GLU A 26 -14.741 4.741 -6.480 1.00 0.85 N ATOM 421 CA GLU A 26 -15.730 5.545 -7.187 1.00 1.05 C ATOM 422 C GLU A 26 -17.152 5.065 -6.910 1.00 0.95 C ATOM 423 O GLU A 26 -18.097 5.852 -6.957 1.00 1.12 O ATOM 424 CB GLU A 26 -15.450 5.508 -8.690 1.00 1.29 C ATOM 425 CG GLU A 26 -14.938 4.164 -9.184 1.00 1.83 C ATOM 426 CD GLU A 26 -14.966 4.050 -10.695 1.00 2.18 C ATOM 427 OE1 GLU A 26 -15.897 4.606 -11.315 1.00 2.53 O ATOM 428 OE2 GLU A 26 -14.059 3.405 -11.259 1.00 2.77 O ATOM 0 H GLU A 26 -14.656 3.783 -6.818 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.649 6.569 -6.823 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -16.365 5.758 -9.227 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -14.717 6.278 -8.933 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.917 4.016 -8.831 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -15.544 3.367 -8.752 1.00 1.83 H new ATOM 435 N TYR A 27 -17.304 3.776 -6.624 1.00 0.85 N ATOM 436 CA TYR A 27 -18.623 3.215 -6.346 1.00 0.84 C ATOM 437 C TYR A 27 -18.662 2.542 -4.978 1.00 0.86 C ATOM 438 O TYR A 27 -19.314 3.030 -4.055 1.00 1.37 O ATOM 439 CB TYR A 27 -19.020 2.208 -7.428 1.00 0.86 C ATOM 440 CG TYR A 27 -20.497 1.881 -7.434 1.00 0.94 C ATOM 441 CD1 TYR A 27 -21.439 2.834 -7.806 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.952 0.620 -7.069 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.788 2.538 -7.814 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.301 0.317 -7.074 1.00 1.04 C ATOM 445 CZ TYR A 27 -23.214 1.283 -7.444 1.00 1.19 C ATOM 446 OH TYR A 27 -24.557 0.982 -7.453 1.00 1.35 O ATOM 0 H TYR A 27 -16.538 3.104 -6.579 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.336 4.039 -6.346 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.740 2.605 -8.404 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.453 1.289 -7.283 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -21.110 3.822 -8.093 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.239 -0.137 -6.776 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -23.506 3.289 -8.110 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.638 -0.669 -6.790 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.686 0.054 -7.166 1.00 1.35 H new ATOM 456 N THR A 28 -17.966 1.417 -4.858 1.00 0.65 N ATOM 457 CA THR A 28 -17.925 0.673 -3.606 1.00 0.61 C ATOM 458 C THR A 28 -19.327 0.419 -3.077 1.00 0.66 C ATOM 459 O THR A 28 -19.631 0.731 -1.926 1.00 0.81 O ATOM 460 CB THR A 28 -17.095 1.419 -2.562 1.00 0.64 C ATOM 461 OG1 THR A 28 -17.439 2.793 -2.535 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.604 1.324 -2.800 1.00 0.79 C ATOM 0 H THR A 28 -17.422 1.000 -5.614 1.00 0.65 H new ATOM 0 HA THR A 28 -17.453 -0.289 -3.805 1.00 0.61 H new ATOM 0 HB THR A 28 -17.326 0.935 -1.613 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.389 2.897 -2.754 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.076 1.876 -2.022 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.297 0.278 -2.775 1.00 0.79 H new ATOM 0 HG23 THR A 28 -15.363 1.750 -3.774 1.00 0.79 H new ATOM 470 N GLY A 29 -20.180 -0.153 -3.924 1.00 0.75 N ATOM 471 CA GLY A 29 -21.543 -0.446 -3.521 1.00 0.80 C ATOM 472 C GLY A 29 -22.212 0.739 -2.845 1.00 0.85 C ATOM 473 O GLY A 29 -22.796 1.597 -3.508 1.00 1.01 O ATOM 0 H GLY A 29 -19.950 -0.418 -4.882 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -22.124 -0.737 -4.396 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.543 -1.297 -2.840 1.00 0.80 H new ATOM 477 N GLY A 30 -22.112 0.785 -1.525 1.00 0.83 N ATOM 478 CA GLY A 30 -22.695 1.871 -0.759 1.00 0.89 C ATOM 479 C GLY A 30 -21.870 2.160 0.476 1.00 0.85 C ATOM 480 O GLY A 30 -22.399 2.534 1.524 1.00 0.98 O ATOM 0 H GLY A 30 -21.632 0.081 -0.964 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.757 2.766 -1.378 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -23.713 1.612 -0.469 1.00 0.89 H new ATOM 484 N PHE A 31 -20.565 1.959 0.344 1.00 0.73 N ATOM 485 CA PHE A 31 -19.629 2.164 1.443 1.00 0.69 C ATOM 486 C PHE A 31 -18.586 3.221 1.099 1.00 0.67 C ATOM 487 O PHE A 31 -18.599 3.794 0.009 1.00 0.74 O ATOM 488 CB PHE A 31 -18.918 0.844 1.783 1.00 0.63 C ATOM 489 CG PHE A 31 -19.551 -0.378 1.167 1.00 0.67 C ATOM 490 CD1 PHE A 31 -20.701 -0.915 1.715 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.000 -0.982 0.043 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.296 -2.031 1.160 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.592 -2.099 -0.516 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.740 -2.625 0.044 1.00 0.83 C ATOM 0 H PHE A 31 -20.127 1.651 -0.524 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.202 2.511 2.303 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -17.881 0.908 1.452 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -18.900 0.723 2.866 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.140 -0.456 2.588 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.102 -0.575 -0.397 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.195 -2.439 1.598 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.157 -2.560 -1.390 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.202 -3.499 -0.390 1.00 0.83 H new ATOM 504 N LYS A 32 -17.678 3.463 2.039 1.00 0.68 N ATOM 505 CA LYS A 32 -16.612 4.441 1.849 1.00 0.72 C ATOM 506 C LYS A 32 -15.292 3.950 2.444 1.00 0.66 C ATOM 507 O LYS A 32 -14.339 4.720 2.565 1.00 0.74 O ATOM 508 CB LYS A 32 -16.993 5.776 2.490 1.00 0.86 C ATOM 509 CG LYS A 32 -17.593 5.635 3.880 1.00 1.38 C ATOM 510 CD LYS A 32 -17.224 6.812 4.768 1.00 1.38 C ATOM 511 CE LYS A 32 -15.841 6.641 5.378 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.777 7.222 4.517 1.00 2.26 N ATOM 0 H LYS A 32 -17.659 2.993 2.944 1.00 0.68 H new ATOM 0 HA LYS A 32 -16.479 4.576 0.776 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -16.106 6.407 2.548 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.707 6.288 1.845 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -18.678 5.562 3.803 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.242 4.709 4.337 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -17.254 7.732 4.184 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -17.963 6.915 5.563 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -15.815 7.118 6.358 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -15.642 5.581 5.534 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.975 7.520 5.109 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -14.456 6.508 3.833 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.155 8.045 4.006 1.00 2.26 H new ATOM 526 N ILE A 33 -15.237 2.670 2.815 1.00 0.67 N ATOM 527 CA ILE A 33 -14.032 2.095 3.399 1.00 0.66 C ATOM 528 C ILE A 33 -13.653 2.819 4.689 1.00 0.80 C ATOM 529 O ILE A 33 -13.848 4.027 4.820 1.00 1.71 O ATOM 530 CB ILE A 33 -12.846 2.138 2.405 1.00 0.59 C ATOM 531 CG1 ILE A 33 -13.144 1.253 1.196 1.00 0.79 C ATOM 532 CG2 ILE A 33 -11.552 1.690 3.076 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.942 1.949 0.117 1.00 0.91 C ATOM 0 H ILE A 33 -16.013 2.015 2.720 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.250 1.052 3.629 1.00 0.66 H new ATOM 0 HB ILE A 33 -12.717 3.168 2.073 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -12.203 0.904 0.772 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -13.691 0.371 1.528 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -10.736 1.730 2.355 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.329 2.351 3.914 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -11.665 0.669 3.440 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -14.115 1.260 -0.709 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -14.899 2.274 0.525 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -13.388 2.816 -0.244 1.00 0.91 H new ATOM 545 N THR A 34 -13.110 2.068 5.637 1.00 0.72 N ATOM 546 CA THR A 34 -12.699 2.631 6.916 1.00 0.73 C ATOM 547 C THR A 34 -11.241 2.288 7.231 1.00 0.59 C ATOM 548 O THR A 34 -10.749 2.592 8.317 1.00 0.76 O ATOM 549 CB THR A 34 -13.608 2.118 8.035 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.191 0.838 8.474 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.061 2.013 7.626 1.00 1.15 C ATOM 0 H THR A 34 -12.944 1.066 5.544 1.00 0.72 H new ATOM 0 HA THR A 34 -12.787 3.715 6.848 1.00 0.73 H new ATOM 0 HB THR A 34 -13.525 2.855 8.834 1.00 0.99 H new ATOM 0 HG1 THR A 34 -13.784 0.529 9.190 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.650 1.643 8.466 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.428 2.996 7.331 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.154 1.324 6.787 1.00 1.15 H new ATOM 559 N SER A 35 -10.550 1.654 6.278 1.00 0.49 N ATOM 560 CA SER A 35 -9.153 1.279 6.468 1.00 0.47 C ATOM 561 C SER A 35 -8.537 0.783 5.161 1.00 0.45 C ATOM 562 O SER A 35 -9.031 -0.166 4.553 1.00 0.72 O ATOM 563 CB SER A 35 -9.029 0.186 7.533 1.00 0.64 C ATOM 564 OG SER A 35 -10.152 0.170 8.396 1.00 1.58 O ATOM 0 H SER A 35 -10.938 1.392 5.372 1.00 0.49 H new ATOM 0 HA SER A 35 -8.615 2.168 6.798 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.928 -0.785 7.049 1.00 0.64 H new ATOM 0 HB3 SER A 35 -8.123 0.347 8.117 1.00 0.64 H new ATOM 0 HG SER A 35 -10.180 1.003 8.912 1.00 1.58 H new ATOM 570 N TYR A 36 -7.451 1.426 4.740 1.00 0.27 N ATOM 571 CA TYR A 36 -6.763 1.043 3.511 1.00 0.28 C ATOM 572 C TYR A 36 -5.524 0.213 3.827 1.00 0.33 C ATOM 573 O TYR A 36 -4.447 0.756 4.048 1.00 0.68 O ATOM 574 CB TYR A 36 -6.373 2.279 2.700 1.00 0.29 C ATOM 575 CG TYR A 36 -7.545 3.067 2.163 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.636 2.428 1.593 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.559 4.455 2.228 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.708 3.147 1.099 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.626 5.182 1.738 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.698 4.524 1.175 1.00 0.60 C ATOM 581 OH TYR A 36 -10.764 5.242 0.686 1.00 0.76 O ATOM 0 H TYR A 36 -7.029 2.214 5.231 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.448 0.439 2.916 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.767 2.933 3.326 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.746 1.968 1.864 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -8.648 1.350 1.534 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -6.721 4.974 2.669 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -10.549 2.634 0.656 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -8.620 6.260 1.796 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.601 6.199 0.817 1.00 0.76 H new ATOM 591 N ILE A 37 -5.684 -1.107 3.846 1.00 0.24 N ATOM 592 CA ILE A 37 -4.569 -1.999 4.139 1.00 0.26 C ATOM 593 C ILE A 37 -3.556 -1.998 3.002 1.00 0.33 C ATOM 594 O ILE A 37 -3.933 -2.010 1.833 1.00 0.70 O ATOM 595 CB ILE A 37 -5.037 -3.445 4.387 1.00 0.36 C ATOM 596 CG1 ILE A 37 -6.344 -3.466 5.181 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.956 -4.214 5.125 1.00 0.46 C ATOM 598 CD1 ILE A 37 -6.297 -2.629 6.438 1.00 1.14 C ATOM 0 H ILE A 37 -6.569 -1.579 3.663 1.00 0.24 H new ATOM 0 HA ILE A 37 -4.102 -1.622 5.049 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.221 -3.922 3.425 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -7.153 -3.107 4.545 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.582 -4.496 5.448 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -4.291 -5.237 5.299 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -3.045 -4.227 4.526 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.754 -3.731 6.081 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.257 -2.690 6.952 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -5.510 -3.002 7.094 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.090 -1.591 6.177 1.00 1.14 H new ATOM 610 N VAL A 38 -2.272 -1.981 3.352 1.00 0.36 N ATOM 611 CA VAL A 38 -1.204 -1.973 2.353 1.00 0.42 C ATOM 612 C VAL A 38 -0.339 -3.226 2.443 1.00 0.35 C ATOM 613 O VAL A 38 0.540 -3.319 3.299 1.00 0.48 O ATOM 614 CB VAL A 38 -0.282 -0.743 2.508 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.427 -0.428 1.193 1.00 0.51 C ATOM 616 CG2 VAL A 38 -1.055 0.467 3.010 1.00 0.46 C ATOM 0 H VAL A 38 -1.945 -1.972 4.318 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.703 -1.938 1.384 1.00 0.42 H new ATOM 0 HB VAL A 38 0.475 -0.986 3.254 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.071 0.442 1.326 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.031 -1.284 0.891 1.00 0.51 H new ATOM 0 HG13 VAL A 38 -0.314 -0.217 0.422 1.00 0.51 H new ATOM 0 HG21 VAL A 38 -0.378 1.316 3.109 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.845 0.714 2.301 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.496 0.240 3.981 1.00 0.46 H new ATOM 626 N GLU A 39 -0.574 -4.182 1.546 1.00 0.30 N ATOM 627 CA GLU A 39 0.214 -5.407 1.530 1.00 0.33 C ATOM 628 C GLU A 39 1.565 -5.117 0.887 1.00 0.32 C ATOM 629 O GLU A 39 1.641 -4.390 -0.104 1.00 0.43 O ATOM 630 CB GLU A 39 -0.510 -6.518 0.763 1.00 0.42 C ATOM 631 CG GLU A 39 -1.240 -7.504 1.663 1.00 0.51 C ATOM 632 CD GLU A 39 -0.710 -8.920 1.537 1.00 0.92 C ATOM 633 OE1 GLU A 39 -0.190 -9.266 0.456 1.00 1.52 O ATOM 634 OE2 GLU A 39 -0.816 -9.682 2.520 1.00 1.67 O ATOM 0 H GLU A 39 -1.297 -4.131 0.828 1.00 0.30 H new ATOM 0 HA GLU A 39 0.357 -5.751 2.554 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.226 -6.067 0.076 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.215 -7.061 0.156 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.150 -7.178 2.699 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.302 -7.495 1.417 1.00 0.51 H new ATOM 641 N LYS A 40 2.629 -5.670 1.452 1.00 0.28 N ATOM 642 CA LYS A 40 3.968 -5.440 0.914 1.00 0.31 C ATOM 643 C LYS A 40 4.642 -6.741 0.514 1.00 0.29 C ATOM 644 O LYS A 40 4.609 -7.724 1.251 1.00 0.35 O ATOM 645 CB LYS A 40 4.844 -4.699 1.928 1.00 0.43 C ATOM 646 CG LYS A 40 4.646 -5.157 3.363 1.00 0.92 C ATOM 647 CD LYS A 40 5.979 -5.416 4.049 1.00 1.14 C ATOM 648 CE LYS A 40 6.089 -6.854 4.528 1.00 1.65 C ATOM 649 NZ LYS A 40 6.542 -6.935 5.943 1.00 1.97 N ATOM 0 H LYS A 40 2.596 -6.274 2.273 1.00 0.28 H new ATOM 0 HA LYS A 40 3.852 -4.824 0.022 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.891 -4.833 1.655 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.632 -3.632 1.865 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.091 -4.399 3.916 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.044 -6.066 3.377 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.793 -5.198 3.358 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.091 -4.740 4.896 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.121 -7.345 4.428 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.788 -7.396 3.891 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 6.604 -7.932 6.231 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 7.477 -6.489 6.034 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 5.862 -6.440 6.554 1.00 1.97 H new ATOM 663 N ARG A 41 5.261 -6.729 -0.660 1.00 0.36 N ATOM 664 CA ARG A 41 5.958 -7.897 -1.174 1.00 0.40 C ATOM 665 C ARG A 41 7.456 -7.628 -1.261 1.00 0.41 C ATOM 666 O ARG A 41 7.905 -6.797 -2.054 1.00 0.43 O ATOM 667 CB ARG A 41 5.412 -8.277 -2.551 1.00 0.46 C ATOM 668 CG ARG A 41 6.054 -9.524 -3.134 1.00 0.58 C ATOM 669 CD ARG A 41 5.082 -10.289 -4.016 1.00 0.88 C ATOM 670 NE ARG A 41 4.197 -11.146 -3.236 1.00 0.95 N ATOM 671 CZ ARG A 41 3.165 -11.800 -3.756 1.00 1.13 C ATOM 672 NH1 ARG A 41 2.897 -11.698 -5.050 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.403 -12.558 -2.982 1.00 1.44 N ATOM 0 H ARG A 41 5.293 -5.917 -1.276 1.00 0.36 H new ATOM 0 HA ARG A 41 5.792 -8.728 -0.488 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.336 -8.433 -2.476 1.00 0.46 H new ATOM 0 HB3 ARG A 41 5.566 -7.444 -3.237 1.00 0.46 H new ATOM 0 HG2 ARG A 41 6.932 -9.244 -3.716 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.399 -10.169 -2.326 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.486 -9.584 -4.596 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.640 -10.896 -4.729 1.00 0.88 H new ATOM 0 HE ARG A 41 4.380 -11.249 -2.238 1.00 0.95 H new ATOM 0 HH11 ARG A 41 3.484 -11.116 -5.648 1.00 1.44 H new ATOM 0 HH12 ARG A 41 2.104 -12.201 -5.448 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.609 -12.639 -1.986 1.00 1.44 H new ATOM 0 HH22 ARG A 41 1.610 -13.060 -3.382 1.00 1.44 H new ATOM 687 N ASP A 42 8.221 -8.336 -0.439 1.00 0.50 N ATOM 688 CA ASP A 42 9.670 -8.182 -0.416 1.00 0.57 C ATOM 689 C ASP A 42 10.298 -8.857 -1.630 1.00 0.62 C ATOM 690 O ASP A 42 10.262 -10.081 -1.758 1.00 0.91 O ATOM 691 CB ASP A 42 10.244 -8.787 0.867 1.00 0.71 C ATOM 692 CG ASP A 42 9.172 -9.378 1.763 1.00 0.93 C ATOM 693 OD1 ASP A 42 8.094 -9.735 1.243 1.00 1.49 O ATOM 694 OD2 ASP A 42 9.413 -9.485 2.984 1.00 1.59 O ATOM 0 H ASP A 42 7.861 -9.024 0.222 1.00 0.50 H new ATOM 0 HA ASP A 42 9.904 -7.118 -0.446 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.964 -9.563 0.608 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.788 -8.018 1.416 1.00 0.71 H new ATOM 699 N LEU A 43 10.873 -8.057 -2.521 1.00 0.63 N ATOM 700 CA LEU A 43 11.505 -8.593 -3.719 1.00 0.68 C ATOM 701 C LEU A 43 12.905 -9.122 -3.409 1.00 0.81 C ATOM 702 O LEU A 43 13.582 -8.611 -2.516 1.00 0.90 O ATOM 703 CB LEU A 43 11.582 -7.523 -4.812 1.00 0.62 C ATOM 704 CG LEU A 43 10.239 -7.091 -5.415 1.00 0.64 C ATOM 705 CD1 LEU A 43 9.311 -8.284 -5.594 1.00 0.70 C ATOM 706 CD2 LEU A 43 9.579 -6.029 -4.549 1.00 0.80 C ATOM 0 H LEU A 43 10.914 -7.041 -2.437 1.00 0.63 H new ATOM 0 HA LEU A 43 10.893 -9.421 -4.077 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.074 -6.642 -4.399 1.00 0.62 H new ATOM 0 HB3 LEU A 43 12.217 -7.896 -5.616 1.00 0.62 H new ATOM 0 HG LEU A 43 10.435 -6.664 -6.398 1.00 0.64 H new ATOM 0 HD11 LEU A 43 8.367 -7.949 -6.023 1.00 0.70 H new ATOM 0 HD12 LEU A 43 9.776 -9.010 -6.262 1.00 0.70 H new ATOM 0 HD13 LEU A 43 9.125 -8.749 -4.626 1.00 0.70 H new ATOM 0 HD21 LEU A 43 8.628 -5.736 -4.994 1.00 0.80 H new ATOM 0 HD22 LEU A 43 9.404 -6.430 -3.551 1.00 0.80 H new ATOM 0 HD23 LEU A 43 10.231 -5.158 -4.481 1.00 0.80 H new ATOM 718 N PRO A 44 13.361 -10.157 -4.142 1.00 0.92 N ATOM 719 CA PRO A 44 12.599 -10.796 -5.209 1.00 0.99 C ATOM 720 C PRO A 44 11.810 -12.009 -4.723 1.00 1.15 C ATOM 721 O PRO A 44 11.381 -12.839 -5.524 1.00 1.43 O ATOM 722 CB PRO A 44 13.703 -11.226 -6.169 1.00 1.15 C ATOM 723 CG PRO A 44 14.874 -11.542 -5.290 1.00 1.25 C ATOM 724 CD PRO A 44 14.678 -10.793 -3.987 1.00 1.08 C ATOM 0 HA PRO A 44 11.846 -10.137 -5.643 1.00 0.99 H new ATOM 0 HB2 PRO A 44 13.402 -12.095 -6.754 1.00 1.15 H new ATOM 0 HB3 PRO A 44 13.943 -10.433 -6.877 1.00 1.15 H new ATOM 0 HG2 PRO A 44 14.940 -12.615 -5.110 1.00 1.25 H new ATOM 0 HG3 PRO A 44 15.806 -11.241 -5.769 1.00 1.25 H new ATOM 0 HD2 PRO A 44 14.698 -11.468 -3.131 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.463 -10.054 -3.829 1.00 1.08 H new ATOM 732 N ASN A 45 11.626 -12.111 -3.410 1.00 1.14 N ATOM 733 CA ASN A 45 10.892 -13.230 -2.833 1.00 1.33 C ATOM 734 C ASN A 45 10.206 -12.832 -1.529 1.00 1.43 C ATOM 735 O ASN A 45 10.802 -12.903 -0.456 1.00 2.42 O ATOM 736 CB ASN A 45 11.835 -14.409 -2.590 1.00 1.66 C ATOM 737 CG ASN A 45 12.476 -14.910 -3.871 1.00 1.93 C ATOM 738 OD1 ASN A 45 11.795 -15.420 -4.760 1.00 2.66 O ATOM 739 ND2 ASN A 45 13.792 -14.766 -3.970 1.00 1.89 N ATOM 0 H ASN A 45 11.973 -11.436 -2.729 1.00 1.14 H new ATOM 0 HA ASN A 45 10.120 -13.526 -3.543 1.00 1.33 H new ATOM 0 HB2 ASN A 45 12.615 -14.109 -1.890 1.00 1.66 H new ATOM 0 HB3 ASN A 45 11.282 -15.223 -2.121 1.00 1.66 H new ATOM 0 HD21 ASN A 45 14.278 -15.084 -4.808 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.317 -14.337 -3.208 1.00 1.89 H new ATOM 746 N GLY A 46 8.948 -12.418 -1.635 1.00 0.90 N ATOM 747 CA GLY A 46 8.195 -12.019 -0.461 1.00 1.12 C ATOM 748 C GLY A 46 6.734 -12.411 -0.559 1.00 0.76 C ATOM 749 O GLY A 46 6.357 -13.217 -1.411 1.00 0.96 O ATOM 0 H GLY A 46 8.436 -12.352 -2.515 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.634 -12.479 0.424 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.272 -10.940 -0.331 1.00 1.12 H new ATOM 753 N ARG A 47 5.906 -11.842 0.309 1.00 0.80 N ATOM 754 CA ARG A 47 4.476 -12.143 0.306 1.00 0.76 C ATOM 755 C ARG A 47 3.664 -10.915 0.685 1.00 0.85 C ATOM 756 O ARG A 47 4.113 -10.076 1.464 1.00 1.71 O ATOM 757 CB ARG A 47 4.134 -13.300 1.258 1.00 0.99 C ATOM 758 CG ARG A 47 5.286 -13.758 2.132 1.00 1.31 C ATOM 759 CD ARG A 47 5.677 -12.697 3.148 1.00 1.11 C ATOM 760 NE ARG A 47 7.062 -12.844 3.582 1.00 1.41 N ATOM 761 CZ ARG A 47 7.773 -11.862 4.126 1.00 1.71 C ATOM 762 NH1 ARG A 47 7.230 -10.665 4.302 1.00 2.41 N ATOM 763 NH2 ARG A 47 9.029 -12.076 4.495 1.00 2.03 N ATOM 0 H ARG A 47 6.196 -11.172 1.022 1.00 0.80 H new ATOM 0 HA ARG A 47 4.218 -12.447 -0.708 1.00 0.76 H new ATOM 0 HB2 ARG A 47 3.308 -12.994 1.899 1.00 0.99 H new ATOM 0 HB3 ARG A 47 3.783 -14.147 0.668 1.00 0.99 H new ATOM 0 HG2 ARG A 47 5.006 -14.674 2.652 1.00 1.31 H new ATOM 0 HG3 ARG A 47 6.146 -13.996 1.506 1.00 1.31 H new ATOM 0 HD2 ARG A 47 5.536 -11.708 2.712 1.00 1.11 H new ATOM 0 HD3 ARG A 47 5.017 -12.762 4.013 1.00 1.11 H new ATOM 0 HE ARG A 47 7.510 -13.752 3.461 1.00 1.41 H new ATOM 0 HH11 ARG A 47 6.264 -10.496 4.020 1.00 2.41 H new ATOM 0 HH12 ARG A 47 7.778 -9.913 4.720 1.00 2.41 H new ATOM 0 HH21 ARG A 47 9.450 -12.995 4.361 1.00 2.03 H new ATOM 0 HH22 ARG A 47 9.574 -11.321 4.912 1.00 2.03 H new ATOM 777 N TRP A 48 2.468 -10.824 0.127 1.00 0.50 N ATOM 778 CA TRP A 48 1.583 -9.711 0.391 1.00 0.43 C ATOM 779 C TRP A 48 1.075 -9.750 1.822 1.00 0.45 C ATOM 780 O TRP A 48 0.117 -10.460 2.132 1.00 0.65 O ATOM 781 CB TRP A 48 0.402 -9.718 -0.572 1.00 0.47 C ATOM 782 CG TRP A 48 0.808 -9.609 -2.006 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.515 -10.486 -3.006 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.580 -8.562 -2.603 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.055 -10.049 -4.187 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.715 -8.871 -3.968 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.169 -7.392 -2.119 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.418 -8.054 -4.852 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.864 -6.582 -2.996 1.00 0.36 C ATOM 790 CH2 TRP A 48 2.983 -6.916 -4.350 1.00 0.38 C ATOM 0 H TRP A 48 2.089 -11.517 -0.518 1.00 0.50 H new ATOM 0 HA TRP A 48 2.154 -8.794 0.245 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.167 -10.637 -0.432 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.263 -8.890 -0.326 1.00 0.47 H new ATOM 0 HD1 TRP A 48 -0.059 -11.393 -2.886 1.00 0.52 H new ATOM 0 HE1 TRP A 48 0.977 -10.526 -5.085 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.083 -7.125 -1.076 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.513 -8.312 -5.897 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.323 -5.675 -2.631 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.532 -6.261 -5.011 1.00 0.38 H new ATOM 801 N LEU A 49 1.716 -8.986 2.690 1.00 0.38 N ATOM 802 CA LEU A 49 1.321 -8.938 4.087 1.00 0.42 C ATOM 803 C LEU A 49 1.125 -7.498 4.539 1.00 0.36 C ATOM 804 O LEU A 49 2.010 -6.658 4.375 1.00 0.39 O ATOM 805 CB LEU A 49 2.370 -9.633 4.954 1.00 0.52 C ATOM 806 CG LEU A 49 1.860 -10.855 5.719 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.767 -10.454 6.698 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.353 -11.911 4.751 1.00 0.84 C ATOM 0 H LEU A 49 2.510 -8.392 2.453 1.00 0.38 H new ATOM 0 HA LEU A 49 0.372 -9.462 4.198 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.201 -9.940 4.319 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.765 -8.912 5.670 1.00 0.52 H new ATOM 0 HG LEU A 49 2.688 -11.279 6.288 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.416 -11.336 7.233 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.164 -9.731 7.411 1.00 1.28 H new ATOM 0 HD13 LEU A 49 -0.064 -10.007 6.152 1.00 1.28 H new ATOM 0 HD21 LEU A 49 0.993 -12.775 5.310 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.538 -11.498 4.157 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.164 -12.218 4.091 1.00 0.84 H new ATOM 820 N LYS A 50 -0.045 -7.219 5.101 1.00 0.40 N ATOM 821 CA LYS A 50 -0.363 -5.881 5.572 1.00 0.40 C ATOM 822 C LYS A 50 0.647 -5.418 6.612 1.00 0.47 C ATOM 823 O LYS A 50 0.443 -5.595 7.812 1.00 0.85 O ATOM 824 CB LYS A 50 -1.774 -5.847 6.165 1.00 0.59 C ATOM 825 CG LYS A 50 -1.971 -6.802 7.330 1.00 0.72 C ATOM 826 CD LYS A 50 -3.443 -7.099 7.563 1.00 1.03 C ATOM 827 CE LYS A 50 -4.150 -5.918 8.209 1.00 0.86 C ATOM 828 NZ LYS A 50 -3.726 -5.721 9.622 1.00 1.30 N ATOM 0 H LYS A 50 -0.788 -7.903 5.241 1.00 0.40 H new ATOM 0 HA LYS A 50 -0.318 -5.203 4.720 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.994 -4.833 6.497 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.493 -6.089 5.383 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -1.438 -7.732 7.134 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.538 -6.371 8.233 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.923 -7.338 6.614 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -3.542 -7.978 8.200 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.941 -5.013 7.638 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -5.228 -6.076 8.172 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -4.397 -5.087 10.101 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -3.709 -6.639 10.111 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -2.775 -5.300 9.644 1.00 1.30 H new ATOM 842 N ALA A 51 1.738 -4.819 6.150 1.00 0.45 N ATOM 843 CA ALA A 51 2.768 -4.332 7.054 1.00 0.63 C ATOM 844 C ALA A 51 2.301 -3.066 7.756 1.00 0.55 C ATOM 845 O ALA A 51 2.617 -2.836 8.923 1.00 0.72 O ATOM 846 CB ALA A 51 4.064 -4.079 6.304 1.00 0.86 C ATOM 0 H ALA A 51 1.930 -4.660 5.161 1.00 0.45 H new ATOM 0 HA ALA A 51 2.954 -5.097 7.808 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.821 -3.715 6.999 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.407 -5.007 5.847 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.895 -3.333 5.528 1.00 0.86 H new ATOM 852 N ASN A 52 1.540 -2.249 7.033 1.00 0.42 N ATOM 853 CA ASN A 52 1.018 -0.998 7.582 1.00 0.43 C ATOM 854 C ASN A 52 0.467 -1.196 8.995 1.00 0.59 C ATOM 855 O ASN A 52 0.773 -0.424 9.904 1.00 1.60 O ATOM 856 CB ASN A 52 -0.078 -0.432 6.674 1.00 0.38 C ATOM 857 CG ASN A 52 -1.335 -1.277 6.691 1.00 0.96 C ATOM 858 OD1 ASN A 52 -1.333 -2.423 6.240 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.418 -0.714 7.213 1.00 0.62 N ATOM 0 H ASN A 52 1.270 -2.429 6.066 1.00 0.42 H new ATOM 0 HA ASN A 52 1.845 -0.290 7.633 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.321 0.582 6.991 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.298 -0.365 5.653 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.295 -1.234 7.252 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.373 0.239 7.575 1.00 0.62 H new ATOM 866 N PHE A 53 -0.347 -2.235 9.170 1.00 0.81 N ATOM 867 CA PHE A 53 -0.944 -2.545 10.469 1.00 0.82 C ATOM 868 C PHE A 53 -1.415 -1.288 11.196 1.00 0.84 C ATOM 869 O PHE A 53 -1.426 -1.241 12.426 1.00 1.20 O ATOM 870 CB PHE A 53 0.043 -3.304 11.345 1.00 0.96 C ATOM 871 CG PHE A 53 -0.575 -4.528 11.935 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.243 -4.465 13.144 1.00 1.68 C ATOM 873 CD2 PHE A 53 -0.472 -5.746 11.290 1.00 1.32 C ATOM 874 CE1 PHE A 53 -1.801 -5.596 13.698 1.00 2.08 C ATOM 875 CE2 PHE A 53 -1.028 -6.881 11.837 1.00 1.66 C ATOM 876 CZ PHE A 53 -1.748 -6.794 13.018 1.00 1.96 C ATOM 0 H PHE A 53 -0.610 -2.880 8.425 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.816 -3.171 10.278 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.914 -3.585 10.753 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.397 -2.653 12.144 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -1.328 -3.520 13.659 1.00 1.68 H new ATOM 0 HD2 PHE A 53 0.050 -5.808 10.347 1.00 1.32 H new ATOM 0 HE1 PHE A 53 -2.280 -5.544 14.665 1.00 2.08 H new ATOM 0 HE2 PHE A 53 -0.903 -7.836 11.347 1.00 1.66 H new ATOM 0 HZ PHE A 53 -2.265 -7.660 13.404 1.00 1.96 H new ATOM 886 N SER A 54 -1.806 -0.276 10.433 1.00 0.79 N ATOM 887 CA SER A 54 -2.279 0.974 11.014 1.00 0.89 C ATOM 888 C SER A 54 -3.724 1.246 10.606 1.00 0.95 C ATOM 889 O SER A 54 -4.440 0.339 10.182 1.00 1.89 O ATOM 890 CB SER A 54 -1.381 2.136 10.584 1.00 1.00 C ATOM 891 OG SER A 54 -1.725 3.328 11.268 1.00 1.71 O ATOM 0 H SER A 54 -1.805 -0.295 9.413 1.00 0.79 H new ATOM 0 HA SER A 54 -2.238 0.882 12.099 1.00 0.89 H new ATOM 0 HB2 SER A 54 -0.339 1.887 10.783 1.00 1.00 H new ATOM 0 HB3 SER A 54 -1.472 2.291 9.509 1.00 1.00 H new ATOM 0 HG SER A 54 -1.955 4.024 10.617 1.00 1.71 H new ATOM 897 N ASN A 55 -4.144 2.498 10.737 1.00 0.75 N ATOM 898 CA ASN A 55 -5.504 2.885 10.382 1.00 0.69 C ATOM 899 C ASN A 55 -5.510 3.792 9.156 1.00 0.66 C ATOM 900 O ASN A 55 -5.947 4.941 9.225 1.00 1.05 O ATOM 901 CB ASN A 55 -6.178 3.595 11.560 1.00 0.84 C ATOM 902 CG ASN A 55 -7.643 3.226 11.700 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.065 2.688 12.724 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.429 3.518 10.668 1.00 0.83 N ATOM 0 H ASN A 55 -3.564 3.261 11.086 1.00 0.75 H new ATOM 0 HA ASN A 55 -6.062 1.980 10.144 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -5.653 3.342 12.481 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.089 4.673 11.429 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.424 3.296 10.706 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -8.037 3.964 9.839 1.00 0.83 H new ATOM 911 N ILE A 56 -5.029 3.270 8.030 1.00 0.40 N ATOM 912 CA ILE A 56 -4.993 4.049 6.796 1.00 0.33 C ATOM 913 C ILE A 56 -6.400 4.518 6.429 1.00 0.31 C ATOM 914 O ILE A 56 -7.166 3.779 5.811 1.00 0.53 O ATOM 915 CB ILE A 56 -4.410 3.261 5.597 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.359 2.231 6.019 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.796 4.225 4.597 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.226 2.811 6.811 1.00 0.69 C ATOM 0 H ILE A 56 -4.663 2.322 7.947 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.337 4.897 6.991 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.238 2.716 5.144 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.843 1.454 6.611 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -2.957 1.749 5.127 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.387 3.665 3.756 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.561 4.913 4.238 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -2.998 4.790 5.079 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.523 2.020 7.073 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.716 3.568 6.215 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.615 3.267 7.721 1.00 0.69 H new ATOM 930 N LEU A 57 -6.737 5.746 6.819 1.00 0.44 N ATOM 931 CA LEU A 57 -8.059 6.306 6.537 1.00 0.45 C ATOM 932 C LEU A 57 -7.974 7.584 5.695 1.00 0.42 C ATOM 933 O LEU A 57 -8.996 8.106 5.248 1.00 0.60 O ATOM 934 CB LEU A 57 -8.788 6.608 7.851 1.00 0.48 C ATOM 935 CG LEU A 57 -10.156 5.941 8.012 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.926 6.589 9.153 1.00 1.60 C ATOM 937 CD2 LEU A 57 -10.953 6.020 6.718 1.00 0.72 C ATOM 0 H LEU A 57 -6.115 6.372 7.330 1.00 0.44 H new ATOM 0 HA LEU A 57 -8.613 5.563 5.963 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.152 6.297 8.679 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -8.917 7.687 7.935 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.999 4.889 8.249 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.897 6.106 9.257 1.00 1.60 H new ATOM 0 HD12 LEU A 57 -10.364 6.478 10.080 1.00 1.60 H new ATOM 0 HD13 LEU A 57 -11.069 7.648 8.940 1.00 1.60 H new ATOM 0 HD21 LEU A 57 -11.921 5.539 6.857 1.00 0.72 H new ATOM 0 HD22 LEU A 57 -11.102 7.065 6.446 1.00 0.72 H new ATOM 0 HD23 LEU A 57 -10.407 5.512 5.923 1.00 0.72 H new ATOM 949 N GLU A 58 -6.762 8.089 5.485 1.00 0.39 N ATOM 950 CA GLU A 58 -6.564 9.309 4.702 1.00 0.43 C ATOM 951 C GLU A 58 -5.890 9.029 3.359 1.00 0.51 C ATOM 952 O GLU A 58 -5.483 9.956 2.662 1.00 1.09 O ATOM 953 CB GLU A 58 -5.704 10.308 5.475 1.00 0.44 C ATOM 954 CG GLU A 58 -4.824 9.684 6.549 1.00 0.44 C ATOM 955 CD GLU A 58 -5.577 9.410 7.835 1.00 0.75 C ATOM 956 OE1 GLU A 58 -6.093 10.374 8.436 1.00 1.29 O ATOM 957 OE2 GLU A 58 -5.648 8.231 8.242 1.00 1.54 O ATOM 0 H GLU A 58 -5.902 7.675 5.845 1.00 0.39 H new ATOM 0 HA GLU A 58 -7.555 9.724 4.517 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -5.069 10.844 4.769 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -6.357 11.046 5.941 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -4.404 8.751 6.173 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -3.986 10.349 6.758 1.00 0.44 H new ATOM 964 N ASN A 59 -5.760 7.756 3.019 1.00 0.31 N ATOM 965 CA ASN A 59 -5.119 7.331 1.775 1.00 0.28 C ATOM 966 C ASN A 59 -3.731 7.944 1.621 1.00 0.28 C ATOM 967 O ASN A 59 -3.191 8.019 0.519 1.00 0.49 O ATOM 968 CB ASN A 59 -5.987 7.649 0.555 1.00 0.32 C ATOM 969 CG ASN A 59 -6.035 9.126 0.205 1.00 0.86 C ATOM 970 OD1 ASN A 59 -5.036 9.838 0.299 1.00 1.75 O ATOM 971 ND2 ASN A 59 -7.208 9.596 -0.206 1.00 0.91 N ATOM 0 H ASN A 59 -6.095 6.984 3.596 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.004 6.249 1.832 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.608 7.094 -0.303 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -7.001 7.296 0.741 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -7.303 10.580 -0.457 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -8.013 8.973 -0.270 1.00 0.91 H new ATOM 978 N GLU A 60 -3.154 8.362 2.741 1.00 0.29 N ATOM 979 CA GLU A 60 -1.826 8.946 2.764 1.00 0.29 C ATOM 980 C GLU A 60 -1.035 8.249 3.855 1.00 0.27 C ATOM 981 O GLU A 60 -0.892 8.768 4.962 1.00 0.35 O ATOM 982 CB GLU A 60 -1.902 10.452 3.029 1.00 0.34 C ATOM 983 CG GLU A 60 -0.799 11.248 2.357 1.00 0.49 C ATOM 984 CD GLU A 60 -0.210 10.525 1.161 1.00 1.26 C ATOM 985 OE1 GLU A 60 -0.760 10.672 0.050 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.799 9.809 1.337 1.00 1.91 O ATOM 0 H GLU A 60 -3.597 8.304 3.658 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.338 8.812 1.799 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.867 10.824 2.685 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -1.859 10.625 4.104 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -1.194 12.212 2.037 1.00 0.49 H new ATOM 0 HG3 GLU A 60 -0.009 11.451 3.080 1.00 0.49 H new ATOM 993 N PHE A 61 -0.555 7.052 3.548 1.00 0.24 N ATOM 994 CA PHE A 61 0.184 6.265 4.522 1.00 0.24 C ATOM 995 C PHE A 61 1.599 5.952 4.060 1.00 0.24 C ATOM 996 O PHE A 61 1.933 6.076 2.884 1.00 0.25 O ATOM 997 CB PHE A 61 -0.566 4.954 4.804 1.00 0.28 C ATOM 998 CG PHE A 61 0.202 4.002 5.670 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.298 4.207 7.038 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.842 2.913 5.112 1.00 0.37 C ATOM 1001 CE1 PHE A 61 1.016 3.335 7.830 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.560 2.040 5.897 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.649 2.249 7.259 1.00 0.48 C ATOM 0 H PHE A 61 -0.664 6.607 2.637 1.00 0.24 H new ATOM 0 HA PHE A 61 0.260 6.861 5.431 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.517 5.184 5.285 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.798 4.466 3.857 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.194 5.057 7.488 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.778 2.744 4.047 1.00 0.37 H new ATOM 0 HE1 PHE A 61 1.083 3.502 8.895 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.054 1.191 5.448 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.212 1.565 7.876 1.00 0.48 H new ATOM 1013 N THR A 62 2.415 5.524 5.017 1.00 0.25 N ATOM 1014 CA THR A 62 3.792 5.157 4.757 1.00 0.27 C ATOM 1015 C THR A 62 4.049 3.743 5.233 1.00 0.29 C ATOM 1016 O THR A 62 3.875 3.431 6.409 1.00 0.35 O ATOM 1017 CB THR A 62 4.756 6.129 5.439 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.483 7.463 5.053 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.210 5.848 5.131 1.00 0.37 C ATOM 0 H THR A 62 2.135 5.424 5.993 1.00 0.25 H new ATOM 0 HA THR A 62 3.964 5.209 3.682 1.00 0.27 H new ATOM 0 HB THR A 62 4.596 5.988 6.508 1.00 0.33 H new ATOM 0 HG1 THR A 62 5.307 7.886 4.734 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.838 6.574 5.647 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.466 4.843 5.468 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.375 5.923 4.056 1.00 0.37 H new ATOM 1027 N VAL A 63 4.459 2.885 4.309 1.00 0.31 N ATOM 1028 CA VAL A 63 4.727 1.502 4.643 1.00 0.36 C ATOM 1029 C VAL A 63 6.051 1.357 5.371 1.00 0.38 C ATOM 1030 O VAL A 63 7.121 1.368 4.760 1.00 0.50 O ATOM 1031 CB VAL A 63 4.718 0.613 3.391 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.795 -0.853 3.781 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.469 0.893 2.569 1.00 0.58 C ATOM 0 H VAL A 63 4.611 3.125 3.329 1.00 0.31 H new ATOM 0 HA VAL A 63 3.928 1.173 5.307 1.00 0.36 H new ATOM 0 HB VAL A 63 5.592 0.844 2.783 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.788 -1.469 2.882 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.715 -1.034 4.337 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.938 -1.109 4.404 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.468 0.260 1.682 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.584 0.680 3.168 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.459 1.940 2.267 1.00 0.58 H new ATOM 1043 N SER A 64 5.961 1.224 6.687 1.00 0.49 N ATOM 1044 CA SER A 64 7.137 1.074 7.527 1.00 0.55 C ATOM 1045 C SER A 64 7.460 -0.399 7.731 1.00 0.63 C ATOM 1046 O SER A 64 6.568 -1.218 7.953 1.00 0.99 O ATOM 1047 CB SER A 64 6.918 1.758 8.875 1.00 0.63 C ATOM 1048 OG SER A 64 5.538 1.953 9.133 1.00 1.33 O ATOM 0 H SER A 64 5.078 1.217 7.197 1.00 0.49 H new ATOM 0 HA SER A 64 7.981 1.549 7.027 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.357 1.153 9.668 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.432 2.719 8.886 1.00 0.63 H new ATOM 0 HG SER A 64 5.426 2.391 10.003 1.00 1.33 H new ATOM 1054 N GLY A 65 8.740 -0.728 7.645 1.00 0.71 N ATOM 1055 CA GLY A 65 9.165 -2.102 7.813 1.00 0.78 C ATOM 1056 C GLY A 65 10.155 -2.523 6.746 1.00 0.72 C ATOM 1057 O GLY A 65 10.860 -3.520 6.902 1.00 0.90 O ATOM 0 H GLY A 65 9.494 -0.066 7.461 1.00 0.71 H new ATOM 0 HA2 GLY A 65 9.618 -2.224 8.797 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.295 -2.758 7.780 1.00 0.78 H new ATOM 1061 N LEU A 66 10.212 -1.759 5.656 1.00 0.64 N ATOM 1062 CA LEU A 66 11.123 -2.055 4.566 1.00 0.65 C ATOM 1063 C LEU A 66 12.543 -2.228 5.095 1.00 0.59 C ATOM 1064 O LEU A 66 12.777 -2.156 6.302 1.00 0.65 O ATOM 1065 CB LEU A 66 11.062 -0.931 3.519 1.00 0.74 C ATOM 1066 CG LEU A 66 9.742 -0.806 2.721 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.557 -1.432 3.449 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.445 0.655 2.398 1.00 0.89 C ATOM 0 H LEU A 66 9.635 -0.931 5.510 1.00 0.64 H new ATOM 0 HA LEU A 66 10.823 -2.990 4.092 1.00 0.65 H new ATOM 0 HB2 LEU A 66 11.247 0.017 4.024 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.877 -1.079 2.811 1.00 0.74 H new ATOM 0 HG LEU A 66 9.883 -1.360 1.793 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.657 -1.316 2.845 1.00 1.47 H new ATOM 0 HD12 LEU A 66 8.750 -2.492 3.614 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.416 -0.936 4.409 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.513 0.721 1.837 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.351 1.221 3.325 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.258 1.068 1.801 1.00 0.89 H new ATOM 1080 N THR A 67 13.485 -2.465 4.193 1.00 0.65 N ATOM 1081 CA THR A 67 14.875 -2.659 4.575 1.00 0.69 C ATOM 1082 C THR A 67 15.806 -2.143 3.486 1.00 0.72 C ATOM 1083 O THR A 67 15.529 -2.295 2.296 1.00 1.06 O ATOM 1084 CB THR A 67 15.147 -4.140 4.835 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.042 -4.749 5.478 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.369 -4.386 5.693 1.00 0.99 C ATOM 0 H THR A 67 13.311 -2.527 3.190 1.00 0.65 H new ATOM 0 HA THR A 67 15.063 -2.096 5.489 1.00 0.69 H new ATOM 0 HB THR A 67 15.321 -4.575 3.851 1.00 0.75 H new ATOM 0 HG1 THR A 67 13.419 -5.092 4.803 1.00 0.96 H new ATOM 0 HG21 THR A 67 16.502 -5.458 5.837 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.249 -3.974 5.199 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.237 -3.903 6.661 1.00 0.99 H new ATOM 1094 N GLU A 68 16.910 -1.533 3.897 1.00 0.66 N ATOM 1095 CA GLU A 68 17.877 -0.997 2.949 1.00 0.67 C ATOM 1096 C GLU A 68 18.384 -2.087 2.012 1.00 0.60 C ATOM 1097 O GLU A 68 18.638 -3.215 2.433 1.00 0.69 O ATOM 1098 CB GLU A 68 19.052 -0.357 3.689 1.00 0.76 C ATOM 1099 CG GLU A 68 19.310 1.083 3.280 1.00 0.96 C ATOM 1100 CD GLU A 68 20.240 1.799 4.239 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.457 1.518 4.206 1.00 1.91 O ATOM 1102 OE2 GLU A 68 19.754 2.643 5.022 1.00 1.89 O ATOM 0 H GLU A 68 17.157 -1.397 4.877 1.00 0.66 H new ATOM 0 HA GLU A 68 17.376 -0.235 2.352 1.00 0.67 H new ATOM 0 HB2 GLU A 68 18.860 -0.394 4.761 1.00 0.76 H new ATOM 0 HB3 GLU A 68 19.951 -0.946 3.506 1.00 0.76 H new ATOM 0 HG2 GLU A 68 19.741 1.102 2.279 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.362 1.619 3.229 1.00 0.96 H new ATOM 1109 N ASP A 69 18.529 -1.740 0.737 1.00 0.52 N ATOM 1110 CA ASP A 69 19.006 -2.683 -0.266 1.00 0.49 C ATOM 1111 C ASP A 69 17.984 -3.788 -0.509 1.00 0.44 C ATOM 1112 O ASP A 69 18.268 -4.966 -0.292 1.00 0.54 O ATOM 1113 CB ASP A 69 20.339 -3.295 0.170 1.00 0.59 C ATOM 1114 CG ASP A 69 20.307 -4.810 0.169 1.00 1.06 C ATOM 1115 OD1 ASP A 69 19.841 -5.394 1.169 1.00 1.87 O ATOM 1116 OD2 ASP A 69 20.749 -5.412 -0.833 1.00 1.66 O ATOM 0 H ASP A 69 18.322 -0.809 0.374 1.00 0.52 H new ATOM 0 HA ASP A 69 19.151 -2.136 -1.198 1.00 0.49 H new ATOM 0 HB2 ASP A 69 21.129 -2.951 -0.497 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.589 -2.940 1.170 1.00 0.59 H new ATOM 1121 N ALA A 70 16.794 -3.403 -0.962 1.00 0.40 N ATOM 1122 CA ALA A 70 15.738 -4.368 -1.233 1.00 0.40 C ATOM 1123 C ALA A 70 14.538 -3.708 -1.893 1.00 0.35 C ATOM 1124 O ALA A 70 13.920 -2.812 -1.319 1.00 0.36 O ATOM 1125 CB ALA A 70 15.306 -5.047 0.057 1.00 0.49 C ATOM 0 H ALA A 70 16.539 -2.433 -1.148 1.00 0.40 H new ATOM 0 HA ALA A 70 16.137 -5.113 -1.921 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.516 -5.767 -0.158 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.158 -5.564 0.499 1.00 0.49 H new ATOM 0 HB3 ALA A 70 14.934 -4.298 0.756 1.00 0.49 H new ATOM 1131 N ALA A 71 14.197 -4.160 -3.095 1.00 0.33 N ATOM 1132 CA ALA A 71 13.052 -3.610 -3.804 1.00 0.30 C ATOM 1133 C ALA A 71 11.779 -4.012 -3.082 1.00 0.27 C ATOM 1134 O ALA A 71 11.635 -5.160 -2.665 1.00 0.36 O ATOM 1135 CB ALA A 71 13.028 -4.084 -5.250 1.00 0.34 C ATOM 0 H ALA A 71 14.693 -4.899 -3.593 1.00 0.33 H new ATOM 0 HA ALA A 71 13.129 -2.523 -3.819 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.162 -3.659 -5.758 1.00 0.34 H new ATOM 0 HB2 ALA A 71 13.939 -3.761 -5.754 1.00 0.34 H new ATOM 0 HB3 ALA A 71 12.965 -5.172 -5.275 1.00 0.34 H new ATOM 1141 N TYR A 72 10.863 -3.069 -2.911 1.00 0.24 N ATOM 1142 CA TYR A 72 9.625 -3.365 -2.206 1.00 0.24 C ATOM 1143 C TYR A 72 8.382 -2.920 -2.962 1.00 0.21 C ATOM 1144 O TYR A 72 8.155 -1.728 -3.160 1.00 0.23 O ATOM 1145 CB TYR A 72 9.643 -2.692 -0.838 1.00 0.30 C ATOM 1146 CG TYR A 72 10.398 -3.469 0.206 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.783 -4.502 0.898 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.721 -3.171 0.500 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.462 -5.220 1.858 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.411 -3.888 1.459 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.777 -4.910 2.137 1.00 0.46 C ATOM 1152 OH TYR A 72 12.461 -5.625 3.092 1.00 0.56 O ATOM 0 H TYR A 72 10.951 -2.109 -3.244 1.00 0.24 H new ATOM 0 HA TYR A 72 9.572 -4.449 -2.109 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.089 -1.702 -0.935 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.617 -2.548 -0.500 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.754 -4.748 0.680 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.217 -2.369 -0.027 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.968 -6.020 2.389 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.442 -3.650 1.677 1.00 0.42 H new ATOM 0 HH TYR A 72 13.414 -5.649 2.863 1.00 0.56 H new ATOM 1162 N GLU A 73 7.562 -3.890 -3.349 1.00 0.21 N ATOM 1163 CA GLU A 73 6.314 -3.602 -4.046 1.00 0.21 C ATOM 1164 C GLU A 73 5.185 -3.661 -3.028 1.00 0.23 C ATOM 1165 O GLU A 73 5.142 -4.583 -2.219 1.00 0.32 O ATOM 1166 CB GLU A 73 6.067 -4.615 -5.167 1.00 0.25 C ATOM 1167 CG GLU A 73 6.804 -4.295 -6.457 1.00 0.65 C ATOM 1168 CD GLU A 73 6.043 -4.742 -7.690 1.00 0.68 C ATOM 1169 OE1 GLU A 73 5.585 -5.904 -7.714 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.906 -3.931 -8.630 1.00 1.50 O ATOM 0 H GLU A 73 7.739 -4.882 -3.192 1.00 0.21 H new ATOM 0 HA GLU A 73 6.366 -2.614 -4.503 1.00 0.21 H new ATOM 0 HB2 GLU A 73 6.369 -5.604 -4.823 1.00 0.25 H new ATOM 0 HB3 GLU A 73 4.998 -4.662 -5.373 1.00 0.25 H new ATOM 0 HG2 GLU A 73 6.981 -3.221 -6.513 1.00 0.65 H new ATOM 0 HG3 GLU A 73 7.781 -4.778 -6.442 1.00 0.65 H new ATOM 1177 N PHE A 74 4.280 -2.687 -3.035 1.00 0.22 N ATOM 1178 CA PHE A 74 3.189 -2.714 -2.043 1.00 0.28 C ATOM 1179 C PHE A 74 1.825 -2.353 -2.616 1.00 0.25 C ATOM 1180 O PHE A 74 1.603 -1.234 -3.078 1.00 0.30 O ATOM 1181 CB PHE A 74 3.477 -1.792 -0.841 1.00 0.39 C ATOM 1182 CG PHE A 74 4.789 -1.074 -0.901 1.00 0.36 C ATOM 1183 CD1 PHE A 74 4.977 -0.020 -1.773 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.829 -1.458 -0.081 1.00 0.42 C ATOM 1185 CE1 PHE A 74 6.188 0.642 -1.826 1.00 0.60 C ATOM 1186 CE2 PHE A 74 7.041 -0.804 -0.126 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.217 0.257 -1.022 1.00 0.53 C ATOM 0 H PHE A 74 4.269 -1.898 -3.682 1.00 0.22 H new ATOM 0 HA PHE A 74 3.151 -3.753 -1.715 1.00 0.28 H new ATOM 0 HB2 PHE A 74 2.678 -1.054 -0.767 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.446 -2.388 0.071 1.00 0.39 H new ATOM 0 HD1 PHE A 74 4.169 0.290 -2.420 1.00 0.52 H new ATOM 0 HD2 PHE A 74 5.692 -2.281 0.605 1.00 0.42 H new ATOM 0 HE1 PHE A 74 6.319 1.469 -2.508 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.848 -1.107 0.524 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.167 0.769 -1.075 1.00 0.53 H new ATOM 1197 N ARG A 75 0.903 -3.307 -2.538 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.466 -3.103 -3.002 1.00 0.34 C ATOM 1199 C ARG A 75 -1.324 -2.746 -1.796 1.00 0.31 C ATOM 1200 O ARG A 75 -0.845 -2.811 -0.668 1.00 0.45 O ATOM 1201 CB ARG A 75 -1.030 -4.363 -3.683 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.371 -5.669 -3.249 1.00 0.94 C ATOM 1203 CD ARG A 75 -0.860 -6.849 -4.082 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.296 -7.971 -3.257 1.00 0.87 N ATOM 1205 CZ ARG A 75 -2.103 -8.932 -3.692 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.562 -8.904 -4.935 1.00 1.87 N ATOM 1207 NH2 ARG A 75 -2.455 -9.922 -2.883 1.00 2.11 N ATOM 0 H ARG A 75 1.080 -4.236 -2.155 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.475 -2.302 -3.741 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -2.098 -4.424 -3.476 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.920 -4.257 -4.762 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.711 -5.580 -3.344 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.585 -5.853 -2.196 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.686 -6.525 -4.716 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -0.060 -7.178 -4.745 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.963 -8.020 -2.294 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.296 -8.143 -5.560 1.00 1.87 H new ATOM 0 HH12 ARG A 75 -3.182 -9.643 -5.267 1.00 1.87 H new ATOM 0 HH21 ARG A 75 -2.106 -9.946 -1.925 1.00 2.11 H new ATOM 0 HH22 ARG A 75 -3.075 -10.659 -3.219 1.00 2.11 H new ATOM 1221 N VAL A 76 -2.582 -2.378 -2.005 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.430 -2.042 -0.863 1.00 0.39 C ATOM 1223 C VAL A 76 -4.846 -2.599 -1.012 1.00 0.31 C ATOM 1224 O VAL A 76 -5.602 -2.202 -1.900 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.451 -0.501 -0.539 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -2.948 0.323 -1.706 1.00 0.54 C ATOM 1227 CG2 VAL A 76 -4.825 0.010 -0.094 1.00 0.47 C ATOM 0 H VAL A 76 -3.028 -2.305 -2.919 1.00 0.32 H new ATOM 0 HA VAL A 76 -2.972 -2.532 -0.004 1.00 0.39 H new ATOM 0 HB VAL A 76 -2.772 -0.377 0.305 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -2.978 1.381 -1.444 1.00 0.54 H new ATOM 0 HG12 VAL A 76 -1.923 0.035 -1.939 1.00 0.54 H new ATOM 0 HG13 VAL A 76 -3.581 0.147 -2.576 1.00 0.54 H new ATOM 0 HG21 VAL A 76 -4.766 1.079 0.113 1.00 0.47 H new ATOM 0 HG22 VAL A 76 -5.553 -0.167 -0.886 1.00 0.47 H new ATOM 0 HG23 VAL A 76 -5.135 -0.517 0.808 1.00 0.47 H new ATOM 1237 N ILE A 77 -5.192 -3.502 -0.102 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.501 -4.109 -0.065 1.00 0.31 C ATOM 1239 C ILE A 77 -7.320 -3.384 0.994 1.00 0.30 C ATOM 1240 O ILE A 77 -6.781 -2.998 2.032 1.00 0.42 O ATOM 1241 CB ILE A 77 -6.399 -5.605 0.285 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.609 -6.353 -0.788 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.776 -6.208 0.443 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -5.099 -7.703 -0.332 1.00 0.42 C ATOM 0 H ILE A 77 -4.563 -3.830 0.631 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.975 -4.027 -1.043 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.870 -5.701 1.233 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.242 -6.490 -1.665 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.763 -5.740 -1.098 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -7.684 -7.266 0.690 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -8.309 -5.694 1.243 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -8.330 -6.100 -0.490 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.548 -8.177 -1.144 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -4.440 -7.572 0.526 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.942 -8.334 -0.049 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.604 -3.172 0.749 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.414 -2.461 1.733 1.00 0.30 C ATOM 1258 C ALA A 78 -10.862 -2.912 1.736 1.00 0.34 C ATOM 1259 O ALA A 78 -11.585 -2.729 0.761 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.337 -0.963 1.488 1.00 0.39 C ATOM 0 H ALA A 78 -9.097 -3.470 -0.093 1.00 0.27 H new ATOM 0 HA ALA A 78 -9.003 -2.698 2.714 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.945 -0.442 2.228 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.301 -0.633 1.572 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.709 -0.738 0.489 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.290 -3.487 2.846 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.661 -3.938 2.963 1.00 0.43 C ATOM 1268 C LYS A 79 -13.601 -2.746 2.869 1.00 0.59 C ATOM 1269 O LYS A 79 -13.182 -1.651 2.492 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.866 -4.687 4.279 1.00 0.56 C ATOM 1271 CG LYS A 79 -11.727 -5.638 4.614 1.00 1.07 C ATOM 1272 CD LYS A 79 -12.088 -6.555 5.770 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.059 -8.018 5.354 1.00 1.71 C ATOM 1274 NZ LYS A 79 -12.801 -8.883 6.310 1.00 1.98 N ATOM 0 H LYS A 79 -10.713 -3.651 3.671 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.882 -4.625 2.146 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.976 -3.964 5.087 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -13.797 -5.251 4.227 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -11.482 -6.236 3.737 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -10.836 -5.064 4.868 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -11.391 -6.396 6.593 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.081 -6.301 6.140 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.493 -8.121 4.360 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -11.025 -8.356 5.287 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -12.757 -9.872 5.990 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -12.372 -8.805 7.254 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -13.794 -8.578 6.355 1.00 1.98 H new ATOM 1288 N ASN A 80 -14.864 -2.949 3.206 1.00 0.65 N ATOM 1289 CA ASN A 80 -15.831 -1.864 3.145 1.00 0.70 C ATOM 1290 C ASN A 80 -16.846 -1.951 4.276 1.00 0.87 C ATOM 1291 O ASN A 80 -16.914 -2.945 4.998 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.553 -1.863 1.800 1.00 0.67 C ATOM 1293 CG ASN A 80 -17.115 -3.223 1.442 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -17.399 -4.042 2.317 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -17.279 -3.470 0.148 1.00 2.05 N ATOM 0 H ASN A 80 -15.241 -3.843 3.521 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.279 -0.931 3.257 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.363 -1.134 1.827 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -15.862 -1.543 1.021 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -17.654 -4.368 -0.156 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -17.030 -2.761 -0.542 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.630 -0.891 4.417 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.654 -0.809 5.450 1.00 0.82 C ATOM 1304 C ALA A 81 -19.466 -2.098 5.552 1.00 0.88 C ATOM 1305 O ALA A 81 -19.959 -2.446 6.625 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.577 0.368 5.172 1.00 0.83 C ATOM 0 H ALA A 81 -17.575 -0.066 3.820 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.150 -0.662 6.405 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.340 0.423 5.948 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -18.998 1.291 5.166 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.055 0.234 4.202 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.611 -2.798 4.432 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.376 -4.041 4.405 1.00 0.90 C ATOM 1314 C ALA A 82 -19.550 -5.226 4.891 1.00 0.88 C ATOM 1315 O ALA A 82 -20.100 -6.240 5.319 1.00 1.06 O ATOM 1316 CB ALA A 82 -20.896 -4.311 3.004 1.00 0.94 C ATOM 0 H ALA A 82 -19.211 -2.528 3.534 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.218 -3.920 5.086 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.464 -5.241 3.000 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.541 -3.490 2.691 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.056 -4.396 2.314 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.234 -5.098 4.815 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.367 -6.177 5.244 1.00 0.86 C ATOM 1324 C GLY A 83 -16.616 -6.795 4.083 1.00 0.78 C ATOM 1325 O GLY A 83 -15.573 -7.421 4.271 1.00 0.93 O ATOM 0 H GLY A 83 -17.752 -4.270 4.465 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.654 -5.800 5.978 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -17.961 -6.944 5.741 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.145 -6.613 2.872 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.511 -7.151 1.675 1.00 0.78 C ATOM 1331 C ALA A 84 -15.052 -6.728 1.622 1.00 0.76 C ATOM 1332 O ALA A 84 -14.657 -5.782 2.297 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.248 -6.687 0.428 1.00 0.92 C ATOM 0 H ALA A 84 -18.008 -6.098 2.698 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.557 -8.239 1.713 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -16.761 -7.098 -0.456 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.281 -7.032 0.467 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.230 -5.598 0.379 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.252 -7.431 0.832 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.837 -7.107 0.722 1.00 0.40 C ATOM 1341 C ILE A 85 -12.473 -6.576 -0.657 1.00 0.38 C ATOM 1342 O ILE A 85 -12.461 -7.325 -1.634 1.00 0.48 O ATOM 1343 CB ILE A 85 -11.955 -8.332 1.025 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.479 -7.931 1.026 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.211 -9.432 0.005 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -9.851 -7.936 2.402 1.00 0.79 C ATOM 0 H ILE A 85 -14.555 -8.222 0.263 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.651 -6.327 1.460 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.210 -8.714 2.013 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -9.925 -8.613 0.381 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.382 -6.935 0.595 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.581 -10.292 0.231 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.259 -9.729 0.046 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -11.977 -9.064 -0.994 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -8.804 -7.642 2.325 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.379 -7.233 3.046 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -9.916 -8.937 2.828 1.00 0.79 H new ATOM 1358 N SER A 86 -12.160 -5.284 -0.730 1.00 0.39 N ATOM 1359 CA SER A 86 -11.775 -4.677 -1.999 1.00 0.45 C ATOM 1360 C SER A 86 -10.442 -5.260 -2.448 1.00 0.44 C ATOM 1361 O SER A 86 -9.428 -5.074 -1.765 1.00 0.43 O ATOM 1362 CB SER A 86 -11.652 -3.156 -1.873 1.00 0.54 C ATOM 1363 OG SER A 86 -10.397 -2.787 -1.322 1.00 0.59 O ATOM 0 H SER A 86 -12.165 -4.645 0.065 1.00 0.39 H new ATOM 0 HA SER A 86 -12.549 -4.894 -2.735 1.00 0.45 H new ATOM 0 HB2 SER A 86 -11.771 -2.696 -2.854 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.455 -2.774 -1.243 1.00 0.54 H new ATOM 0 HG SER A 86 -10.537 -2.178 -0.567 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.416 -5.981 -3.589 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.199 -6.597 -4.103 1.00 0.61 C ATOM 1371 C PRO A 87 -7.968 -5.717 -3.919 1.00 0.54 C ATOM 1372 O PRO A 87 -8.078 -4.505 -3.739 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.486 -6.816 -5.595 1.00 0.85 C ATOM 1374 CG PRO A 87 -10.917 -6.428 -5.818 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.558 -6.265 -4.466 1.00 0.59 C ATOM 0 HA PRO A 87 -8.969 -7.518 -3.567 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -8.820 -6.211 -6.210 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.319 -7.857 -5.873 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -10.978 -5.500 -6.386 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.435 -7.191 -6.398 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.284 -5.452 -4.459 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.087 -7.167 -4.159 1.00 0.59 H new ATOM 1383 N PRO A 88 -6.772 -6.328 -3.958 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.510 -5.607 -3.789 1.00 0.56 C ATOM 1385 C PRO A 88 -5.242 -4.612 -4.904 1.00 0.48 C ATOM 1386 O PRO A 88 -5.214 -4.969 -6.082 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.448 -6.708 -3.813 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.099 -7.865 -4.491 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.560 -7.772 -4.165 1.00 0.72 C ATOM 0 HA PRO A 88 -5.519 -5.017 -2.872 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -3.558 -6.385 -4.353 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -4.130 -6.971 -2.804 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -4.937 -7.827 -5.568 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -4.681 -8.808 -4.139 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.178 -8.157 -4.976 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -6.810 -8.347 -3.273 1.00 0.72 H new ATOM 1397 N SER A 89 -5.027 -3.361 -4.522 1.00 0.43 N ATOM 1398 CA SER A 89 -4.739 -2.316 -5.486 1.00 0.42 C ATOM 1399 C SER A 89 -3.294 -2.436 -5.955 1.00 0.35 C ATOM 1400 O SER A 89 -2.370 -2.283 -5.153 1.00 0.51 O ATOM 1401 CB SER A 89 -4.986 -0.938 -4.872 1.00 0.56 C ATOM 1402 OG SER A 89 -6.321 -0.817 -4.411 1.00 1.28 O ATOM 0 H SER A 89 -5.047 -3.048 -3.551 1.00 0.43 H new ATOM 0 HA SER A 89 -5.403 -2.432 -6.343 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.296 -0.776 -4.044 1.00 0.56 H new ATOM 0 HB3 SER A 89 -4.782 -0.165 -5.612 1.00 0.56 H new ATOM 0 HG SER A 89 -6.398 -1.224 -3.523 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.132 -2.726 -7.257 1.00 0.38 N ATOM 1409 CA GLU A 90 -1.823 -2.902 -7.921 1.00 0.37 C ATOM 1410 C GLU A 90 -0.635 -2.437 -7.067 1.00 0.34 C ATOM 1411 O GLU A 90 -0.543 -1.263 -6.710 1.00 0.44 O ATOM 1412 CB GLU A 90 -1.820 -2.153 -9.254 1.00 0.49 C ATOM 1413 CG GLU A 90 -1.972 -3.065 -10.462 1.00 0.90 C ATOM 1414 CD GLU A 90 -0.750 -3.059 -11.358 1.00 1.10 C ATOM 1415 OE1 GLU A 90 0.372 -3.236 -10.837 1.00 1.77 O ATOM 1416 OE2 GLU A 90 -0.914 -2.877 -12.584 1.00 1.76 O ATOM 0 H GLU A 90 -3.921 -2.848 -7.892 1.00 0.38 H new ATOM 0 HA GLU A 90 -1.694 -3.973 -8.078 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -2.631 -1.424 -9.254 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -0.889 -1.594 -9.346 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -2.163 -4.083 -10.122 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -2.842 -2.754 -11.040 1.00 0.90 H new ATOM 1423 N PRO A 91 0.289 -3.358 -6.721 1.00 0.30 N ATOM 1424 CA PRO A 91 1.457 -3.033 -5.901 1.00 0.29 C ATOM 1425 C PRO A 91 2.258 -1.854 -6.424 1.00 0.31 C ATOM 1426 O PRO A 91 2.600 -1.795 -7.606 1.00 0.55 O ATOM 1427 CB PRO A 91 2.312 -4.298 -5.968 1.00 0.36 C ATOM 1428 CG PRO A 91 1.344 -5.389 -6.230 1.00 0.36 C ATOM 1429 CD PRO A 91 0.264 -4.788 -7.089 1.00 0.39 C ATOM 0 HA PRO A 91 1.151 -2.743 -4.896 1.00 0.29 H new ATOM 0 HB2 PRO A 91 3.058 -4.231 -6.760 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.851 -4.462 -5.035 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.826 -6.225 -6.737 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.931 -5.776 -5.299 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.467 -4.933 -8.150 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -0.708 -5.238 -6.886 1.00 0.39 H new ATOM 1437 N SER A 92 2.574 -0.927 -5.531 1.00 0.27 N ATOM 1438 CA SER A 92 3.360 0.233 -5.898 1.00 0.31 C ATOM 1439 C SER A 92 4.745 -0.231 -6.306 1.00 0.27 C ATOM 1440 O SER A 92 5.264 -1.202 -5.740 1.00 0.24 O ATOM 1441 CB SER A 92 3.438 1.226 -4.729 1.00 0.39 C ATOM 1442 OG SER A 92 4.778 1.579 -4.416 1.00 1.23 O ATOM 0 H SER A 92 2.297 -0.959 -4.550 1.00 0.27 H new ATOM 0 HA SER A 92 2.888 0.749 -6.734 1.00 0.31 H new ATOM 0 HB2 SER A 92 2.876 2.125 -4.980 1.00 0.39 H new ATOM 0 HB3 SER A 92 2.964 0.789 -3.850 1.00 0.39 H new ATOM 0 HG SER A 92 5.078 1.067 -3.636 1.00 1.23 H new ATOM 1448 N ASP A 93 5.328 0.458 -7.288 1.00 0.33 N ATOM 1449 CA ASP A 93 6.660 0.130 -7.803 1.00 0.36 C ATOM 1450 C ASP A 93 7.586 -0.396 -6.718 1.00 0.32 C ATOM 1451 O ASP A 93 7.568 0.078 -5.582 1.00 0.56 O ATOM 1452 CB ASP A 93 7.289 1.359 -8.460 1.00 0.45 C ATOM 1453 CG ASP A 93 7.341 1.259 -9.972 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.303 1.506 -10.618 1.00 1.63 O ATOM 1455 OD2 ASP A 93 8.420 0.935 -10.510 1.00 1.55 O ATOM 0 H ASP A 93 4.892 1.257 -7.748 1.00 0.33 H new ATOM 0 HA ASP A 93 6.531 -0.662 -8.541 1.00 0.36 H new ATOM 0 HB2 ASP A 93 6.721 2.246 -8.179 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.300 1.493 -8.075 1.00 0.45 H new ATOM 1460 N ALA A 94 8.395 -1.374 -7.079 1.00 0.33 N ATOM 1461 CA ALA A 94 9.328 -1.957 -6.135 1.00 0.28 C ATOM 1462 C ALA A 94 10.473 -0.989 -5.870 1.00 0.29 C ATOM 1463 O ALA A 94 11.334 -0.780 -6.724 1.00 0.41 O ATOM 1464 CB ALA A 94 9.853 -3.288 -6.653 1.00 0.34 C ATOM 0 H ALA A 94 8.425 -1.780 -8.014 1.00 0.33 H new ATOM 0 HA ALA A 94 8.807 -2.144 -5.196 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.552 -3.710 -5.930 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.020 -3.976 -6.797 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.364 -3.133 -7.603 1.00 0.34 H new ATOM 1470 N ILE A 95 10.470 -0.393 -4.685 1.00 0.25 N ATOM 1471 CA ILE A 95 11.503 0.561 -4.309 1.00 0.28 C ATOM 1472 C ILE A 95 12.705 -0.151 -3.706 1.00 0.26 C ATOM 1473 O ILE A 95 12.619 -0.728 -2.623 1.00 0.25 O ATOM 1474 CB ILE A 95 10.966 1.611 -3.308 1.00 0.33 C ATOM 1475 CG1 ILE A 95 9.797 2.384 -3.923 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.072 2.575 -2.902 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.435 1.805 -3.606 1.00 0.44 C ATOM 0 H ILE A 95 9.763 -0.554 -3.968 1.00 0.25 H new ATOM 0 HA ILE A 95 11.812 1.076 -5.219 1.00 0.28 H new ATOM 0 HB ILE A 95 10.614 1.089 -2.419 1.00 0.33 H new ATOM 0 HG12 ILE A 95 9.832 3.415 -3.570 1.00 0.41 H new ATOM 0 HG13 ILE A 95 9.924 2.413 -5.005 1.00 0.41 H new ATOM 0 HG21 ILE A 95 11.676 3.307 -2.198 1.00 0.41 H new ATOM 0 HG22 ILE A 95 12.884 2.020 -2.431 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.449 3.089 -3.786 1.00 0.41 H new ATOM 0 HD11 ILE A 95 7.663 2.411 -4.079 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.377 0.784 -3.984 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.283 1.802 -2.527 1.00 0.44 H new ATOM 1489 N THR A 96 13.830 -0.108 -4.419 1.00 0.29 N ATOM 1490 CA THR A 96 15.057 -0.749 -3.955 1.00 0.32 C ATOM 1491 C THR A 96 15.338 -0.384 -2.503 1.00 0.32 C ATOM 1492 O THR A 96 15.891 -1.180 -1.746 1.00 0.38 O ATOM 1493 CB THR A 96 16.239 -0.341 -4.835 1.00 0.37 C ATOM 1494 OG1 THR A 96 15.972 -0.629 -6.195 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.529 -1.039 -4.463 1.00 0.43 C ATOM 0 H THR A 96 13.916 0.364 -5.319 1.00 0.29 H new ATOM 0 HA THR A 96 14.923 -1.829 -4.023 1.00 0.32 H new ATOM 0 HB THR A 96 16.364 0.730 -4.675 1.00 0.37 H new ATOM 0 HG1 THR A 96 16.739 -0.360 -6.743 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.328 -0.705 -5.126 1.00 0.43 H new ATOM 0 HG22 THR A 96 17.789 -0.799 -3.432 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.401 -2.117 -4.563 1.00 0.43 H new ATOM 1503 N CYS A 97 14.946 0.826 -2.124 1.00 0.32 N ATOM 1504 CA CYS A 97 15.147 1.299 -0.762 1.00 0.36 C ATOM 1505 C CYS A 97 16.614 1.194 -0.358 1.00 0.43 C ATOM 1506 O CYS A 97 17.021 0.225 0.277 1.00 0.64 O ATOM 1507 CB CYS A 97 14.281 0.488 0.206 1.00 0.38 C ATOM 1508 SG CYS A 97 12.501 0.681 -0.052 1.00 1.10 S ATOM 0 H CYS A 97 14.487 1.497 -2.741 1.00 0.32 H new ATOM 0 HA CYS A 97 14.854 2.348 -0.718 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.538 -0.567 0.110 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.523 0.783 1.227 1.00 0.38 H new ATOM 0 HG CYS A 97 12.144 0.027 -1.117 1.00 1.10 H new ATOM 1514 N ARG A 98 17.399 2.199 -0.726 1.00 0.53 N ATOM 1515 CA ARG A 98 18.822 2.223 -0.396 1.00 0.63 C ATOM 1516 C ARG A 98 19.211 3.587 0.169 1.00 0.80 C ATOM 1517 O ARG A 98 19.114 3.816 1.374 1.00 1.04 O ATOM 1518 CB ARG A 98 19.670 1.878 -1.627 1.00 0.68 C ATOM 1519 CG ARG A 98 19.042 2.305 -2.946 1.00 0.74 C ATOM 1520 CD ARG A 98 20.085 2.839 -3.914 1.00 0.92 C ATOM 1521 NE ARG A 98 21.041 1.809 -4.310 1.00 1.64 N ATOM 1522 CZ ARG A 98 21.826 1.903 -5.379 1.00 2.31 C ATOM 1523 NH1 ARG A 98 21.768 2.976 -6.154 1.00 3.00 N ATOM 1524 NH2 ARG A 98 22.669 0.922 -5.672 1.00 2.68 N ATOM 0 H ARG A 98 17.076 3.010 -1.254 1.00 0.53 H new ATOM 0 HA ARG A 98 19.015 1.468 0.366 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.646 2.354 -1.529 1.00 0.68 H new ATOM 0 HB3 ARG A 98 19.841 0.802 -1.649 1.00 0.68 H new ATOM 0 HG2 ARG A 98 18.527 1.456 -3.396 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.290 3.072 -2.760 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.589 3.233 -4.801 1.00 0.92 H new ATOM 0 HD3 ARG A 98 20.618 3.670 -3.451 1.00 0.92 H new ATOM 0 HE ARG A 98 21.111 0.970 -3.734 1.00 1.64 H new ATOM 0 HH11 ARG A 98 21.120 3.732 -5.931 1.00 3.00 H new ATOM 0 HH12 ARG A 98 22.371 3.046 -6.974 1.00 3.00 H new ATOM 0 HH21 ARG A 98 22.715 0.095 -5.077 1.00 2.68 H new ATOM 0 HH22 ARG A 98 23.271 0.995 -6.492 1.00 2.68 H new ATOM 1538 N ASP A 99 19.634 4.492 -0.701 1.00 0.92 N ATOM 1539 CA ASP A 99 20.013 5.834 -0.280 1.00 1.20 C ATOM 1540 C ASP A 99 18.850 6.800 -0.499 1.00 1.03 C ATOM 1541 O ASP A 99 19.037 8.016 -0.530 1.00 1.20 O ATOM 1542 CB ASP A 99 21.244 6.312 -1.053 1.00 1.61 C ATOM 1543 CG ASP A 99 20.909 6.738 -2.469 1.00 1.71 C ATOM 1544 OD1 ASP A 99 20.133 6.021 -3.135 1.00 2.08 O ATOM 1545 OD2 ASP A 99 21.421 7.786 -2.912 1.00 2.14 O ATOM 0 H ASP A 99 19.724 4.322 -1.703 1.00 0.92 H new ATOM 0 HA ASP A 99 20.259 5.807 0.782 1.00 1.20 H new ATOM 0 HB2 ASP A 99 21.700 7.148 -0.523 1.00 1.61 H new ATOM 0 HB3 ASP A 99 21.984 5.512 -1.083 1.00 1.61 H new ATOM 1550 N ASP A 100 17.647 6.243 -0.655 1.00 0.85 N ATOM 1551 CA ASP A 100 16.445 7.035 -0.877 1.00 0.92 C ATOM 1552 C ASP A 100 16.662 8.085 -1.960 1.00 1.22 C ATOM 1553 O ASP A 100 15.994 9.119 -1.983 1.00 1.38 O ATOM 1554 CB ASP A 100 15.992 7.692 0.427 1.00 0.87 C ATOM 1555 CG ASP A 100 16.900 8.830 0.853 1.00 1.32 C ATOM 1556 OD1 ASP A 100 16.878 9.886 0.187 1.00 2.03 O ATOM 1557 OD2 ASP A 100 17.630 8.664 1.852 1.00 2.06 O ATOM 0 H ASP A 100 17.484 5.236 -0.631 1.00 0.85 H new ATOM 0 HA ASP A 100 15.660 6.362 -1.222 1.00 0.92 H new ATOM 0 HB2 ASP A 100 14.976 8.068 0.306 1.00 0.87 H new ATOM 0 HB3 ASP A 100 15.962 6.941 1.217 1.00 0.87 H new ATOM 1562 N VAL A 101 17.596 7.805 -2.857 1.00 1.43 N ATOM 1563 CA VAL A 101 17.904 8.713 -3.953 1.00 1.90 C ATOM 1564 C VAL A 101 17.674 8.042 -5.308 1.00 2.23 C ATOM 1565 O VAL A 101 17.500 8.721 -6.321 1.00 2.80 O ATOM 1566 CB VAL A 101 19.358 9.208 -3.878 1.00 2.20 C ATOM 1567 CG1 VAL A 101 19.610 10.286 -4.921 1.00 2.67 C ATOM 1568 CG2 VAL A 101 19.673 9.723 -2.482 1.00 2.22 C ATOM 0 H VAL A 101 18.156 6.953 -2.847 1.00 1.43 H new ATOM 0 HA VAL A 101 17.232 9.566 -3.856 1.00 1.90 H new ATOM 0 HB VAL A 101 20.021 8.369 -4.090 1.00 2.20 H new ATOM 0 HG11 VAL A 101 20.644 10.624 -4.853 1.00 2.67 H new ATOM 0 HG12 VAL A 101 19.426 9.880 -5.916 1.00 2.67 H new ATOM 0 HG13 VAL A 101 18.941 11.128 -4.743 1.00 2.67 H new ATOM 0 HG21 VAL A 101 20.706 10.069 -2.446 1.00 2.22 H new ATOM 0 HG22 VAL A 101 19.005 10.549 -2.240 1.00 2.22 H new ATOM 0 HG23 VAL A 101 19.535 8.920 -1.758 1.00 2.22 H new ATOM 1578 N GLU A 102 17.670 6.705 -5.319 1.00 1.99 N ATOM 1579 CA GLU A 102 17.461 5.927 -6.540 1.00 2.40 C ATOM 1580 C GLU A 102 18.133 6.568 -7.751 1.00 2.00 C ATOM 1581 O GLU A 102 17.469 6.965 -8.709 1.00 2.49 O ATOM 1582 CB GLU A 102 15.969 5.750 -6.798 1.00 3.22 C ATOM 1583 CG GLU A 102 15.180 7.046 -6.733 1.00 3.87 C ATOM 1584 CD GLU A 102 16.038 8.231 -6.334 1.00 4.18 C ATOM 1585 OE1 GLU A 102 17.127 8.400 -6.922 1.00 4.58 O ATOM 1586 OE2 GLU A 102 15.621 8.990 -5.434 1.00 4.47 O ATOM 0 H GLU A 102 17.811 6.136 -4.485 1.00 1.99 H new ATOM 0 HA GLU A 102 17.923 4.951 -6.390 1.00 2.40 H new ATOM 0 HB2 GLU A 102 15.830 5.299 -7.781 1.00 3.22 H new ATOM 0 HB3 GLU A 102 15.563 5.051 -6.067 1.00 3.22 H new ATOM 0 HG2 GLU A 102 14.727 7.241 -7.705 1.00 3.87 H new ATOM 0 HG3 GLU A 102 14.365 6.935 -6.018 1.00 3.87 H new ATOM 1593 N ALA A 103 19.453 6.661 -7.696 1.00 1.84 N ATOM 1594 CA ALA A 103 20.224 7.249 -8.785 1.00 2.56 C ATOM 1595 C ALA A 103 21.720 7.030 -8.583 1.00 3.21 C ATOM 1596 O ALA A 103 22.206 7.271 -7.457 1.00 3.72 O ATOM 1597 CB ALA A 103 19.917 8.734 -8.906 1.00 3.26 C ATOM 1598 OXT ALA A 103 22.393 6.621 -9.552 1.00 3.79 O ATOM 0 H ALA A 103 20.015 6.337 -6.909 1.00 1.84 H new ATOM 0 HA ALA A 103 19.934 6.752 -9.711 1.00 2.56 H new ATOM 0 HB1 ALA A 103 20.499 9.161 -9.723 1.00 3.26 H new ATOM 0 HB2 ALA A 103 18.855 8.871 -9.108 1.00 3.26 H new ATOM 0 HB3 ALA A 103 20.177 9.236 -7.974 1.00 3.26 H new TER 1604 ALA A 103