USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 751 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00346) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0.709 (180deg=0.709) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.16) USER MOD Single : A 17 SER OG : rot 39:sc= 0.00157 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 100:sc= 1.04 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.0138 K(o=-0.014,f=-1.7) USER MOD Single : A 45 THR OG1 : rot 61:sc= 0.349 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -166:sc= -0.0784 USER MOD Single : A 55 HIS : no HD1:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 120:sc= -0.0104 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0711 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 73 ASN :FLIP amide:sc= -1.17 F(o=-1.7,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot -120:sc= 0.989 USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= -0.576 (180deg=-0.653) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 8.662 6.226 -24.586 1.00 0.00 N ATOM 2 CA GLY A -2 8.766 5.901 -23.175 1.00 0.00 C ATOM 3 C GLY A -2 10.046 6.423 -22.552 1.00 0.00 C ATOM 4 O GLY A -2 10.019 7.363 -21.758 1.00 0.00 O ATOM 0 H1 GLY A -2 7.770 5.847 -24.965 1.00 0.00 H new ATOM 0 H2 GLY A -2 8.679 7.259 -24.706 1.00 0.00 H new ATOM 0 H3 GLY A -2 9.463 5.805 -25.099 1.00 0.00 H new ATOM 0 HA2 GLY A -2 7.911 6.320 -22.645 1.00 0.00 H new ATOM 0 HA3 GLY A -2 8.720 4.819 -23.050 1.00 0.00 H new ATOM 8 N SER A -1 11.169 5.811 -22.912 1.00 0.00 N ATOM 9 CA SER A -1 12.465 6.216 -22.379 1.00 0.00 C ATOM 10 C SER A -1 13.005 7.430 -23.129 1.00 0.00 C ATOM 11 O SER A -1 13.473 7.316 -24.262 1.00 0.00 O ATOM 12 CB SER A -1 13.462 5.060 -22.471 1.00 0.00 C ATOM 13 OG SER A -1 13.004 3.932 -21.744 1.00 0.00 O ATOM 0 H SER A -1 11.208 5.033 -23.570 1.00 0.00 H new ATOM 0 HA SER A -1 12.331 6.488 -21.332 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.612 4.787 -23.516 1.00 0.00 H new ATOM 0 HB3 SER A -1 14.430 5.378 -22.083 1.00 0.00 H new ATOM 0 HG SER A -1 13.658 3.206 -21.820 1.00 0.00 H new ATOM 19 N HIS A 0 12.938 8.592 -22.488 1.00 0.00 N ATOM 20 CA HIS A 0 13.421 9.828 -23.093 1.00 0.00 C ATOM 21 C HIS A 0 14.348 10.574 -22.138 1.00 0.00 C ATOM 22 O HIS A 0 15.465 10.941 -22.503 1.00 0.00 O ATOM 23 CB HIS A 0 12.244 10.724 -23.483 1.00 0.00 C ATOM 24 CG HIS A 0 12.623 11.845 -24.401 1.00 0.00 C ATOM 25 ND1 HIS A 0 13.131 11.641 -25.667 1.00 0.00 N ATOM 26 CD2 HIS A 0 12.564 13.186 -24.232 1.00 0.00 C ATOM 27 CE1 HIS A 0 13.370 12.810 -26.235 1.00 0.00 C ATOM 28 NE2 HIS A 0 13.034 13.763 -25.386 1.00 0.00 N ATOM 0 H HIS A 0 12.554 8.704 -21.550 1.00 0.00 H new ATOM 0 HA HIS A 0 13.984 9.569 -23.990 1.00 0.00 H new ATOM 0 HB2 HIS A 0 11.478 10.115 -23.963 1.00 0.00 H new ATOM 0 HB3 HIS A 0 11.800 11.140 -22.579 1.00 0.00 H new ATOM 0 HD2 HIS A 0 12.213 13.706 -23.353 1.00 0.00 H new ATOM 0 HE1 HIS A 0 13.772 12.960 -27.226 1.00 0.00 H new ATOM 0 HE2 HIS A 0 13.111 14.765 -25.559 1.00 0.00 H new ATOM 36 N MET A 1 13.877 10.796 -20.915 1.00 0.00 N ATOM 37 CA MET A 1 14.665 11.498 -19.909 1.00 0.00 C ATOM 38 C MET A 1 14.952 10.593 -18.715 1.00 0.00 C ATOM 39 O MET A 1 14.415 9.490 -18.617 1.00 0.00 O ATOM 40 CB MET A 1 13.933 12.758 -19.445 1.00 0.00 C ATOM 41 CG MET A 1 14.142 13.954 -20.359 1.00 0.00 C ATOM 42 SD MET A 1 13.853 15.526 -19.524 1.00 0.00 S ATOM 43 CE MET A 1 15.534 16.039 -19.176 1.00 0.00 C ATOM 0 H MET A 1 12.954 10.500 -20.597 1.00 0.00 H new ATOM 0 HA MET A 1 15.614 11.785 -20.362 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.866 12.545 -19.378 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.270 13.015 -18.441 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.160 13.936 -20.748 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.472 13.873 -21.215 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.522 16.999 -18.659 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.019 15.294 -18.546 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.085 16.137 -20.111 1.00 0.00 H new ATOM 53 N SER A 2 15.802 11.067 -17.809 1.00 0.00 N ATOM 54 CA SER A 2 16.163 10.299 -16.624 1.00 0.00 C ATOM 55 C SER A 2 15.488 10.869 -15.380 1.00 0.00 C ATOM 56 O SER A 2 15.115 12.042 -15.345 1.00 0.00 O ATOM 57 CB SER A 2 17.681 10.293 -16.437 1.00 0.00 C ATOM 58 OG SER A 2 18.349 10.243 -17.686 1.00 0.00 O ATOM 0 H SER A 2 16.253 11.979 -17.874 1.00 0.00 H new ATOM 0 HA SER A 2 15.818 9.275 -16.766 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.987 11.187 -15.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.972 9.435 -15.831 1.00 0.00 H new ATOM 0 HG SER A 2 19.318 10.242 -17.539 1.00 0.00 H new ATOM 64 N HIS A 3 15.335 10.031 -14.360 1.00 0.00 N ATOM 65 CA HIS A 3 14.705 10.450 -13.113 1.00 0.00 C ATOM 66 C HIS A 3 15.678 10.325 -11.945 1.00 0.00 C ATOM 67 O HIS A 3 15.384 9.666 -10.947 1.00 0.00 O ATOM 68 CB HIS A 3 13.454 9.614 -12.843 1.00 0.00 C ATOM 69 CG HIS A 3 12.318 9.920 -13.769 1.00 0.00 C ATOM 70 ND1 HIS A 3 11.565 11.072 -13.682 1.00 0.00 N ATOM 71 CD2 HIS A 3 11.807 9.216 -14.807 1.00 0.00 C ATOM 72 CE1 HIS A 3 10.640 11.063 -14.625 1.00 0.00 C ATOM 73 NE2 HIS A 3 10.766 9.948 -15.322 1.00 0.00 N ATOM 0 H HIS A 3 15.639 9.057 -14.372 1.00 0.00 H new ATOM 0 HA HIS A 3 14.418 11.497 -13.213 1.00 0.00 H new ATOM 0 HB2 HIS A 3 13.708 8.557 -12.929 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.130 9.781 -11.816 1.00 0.00 H new ATOM 0 HD2 HIS A 3 12.154 8.257 -15.163 1.00 0.00 H new ATOM 0 HE1 HIS A 3 9.906 11.836 -14.797 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.184 9.675 -16.114 1.00 0.00 H new ATOM 81 N ASP A 4 16.837 10.960 -12.076 1.00 0.00 N ATOM 82 CA ASP A 4 17.854 10.920 -11.030 1.00 0.00 C ATOM 83 C ASP A 4 18.097 12.312 -10.455 1.00 0.00 C ATOM 84 O ASP A 4 17.629 13.311 -11.001 1.00 0.00 O ATOM 85 CB ASP A 4 19.160 10.347 -11.581 1.00 0.00 C ATOM 86 CG ASP A 4 19.074 8.856 -11.840 1.00 0.00 C ATOM 87 OD1 ASP A 4 18.990 8.087 -10.859 1.00 0.00 O ATOM 88 OD2 ASP A 4 19.091 8.457 -13.023 1.00 0.00 O ATOM 0 H ASP A 4 17.097 11.509 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 4 17.492 10.274 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 4 19.416 10.860 -12.508 1.00 0.00 H new ATOM 0 HB3 ASP A 4 19.966 10.544 -10.875 1.00 0.00 H new ATOM 93 N GLY A 5 18.832 12.370 -9.349 1.00 0.00 N ATOM 94 CA GLY A 5 19.124 13.644 -8.718 1.00 0.00 C ATOM 95 C GLY A 5 19.844 13.483 -7.394 1.00 0.00 C ATOM 96 O GLY A 5 20.600 12.531 -7.201 1.00 0.00 O ATOM 0 H GLY A 5 19.231 11.558 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.735 14.247 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 5 18.193 14.189 -8.558 1.00 0.00 H new ATOM 100 N LYS A 6 19.612 14.418 -6.479 1.00 0.00 N ATOM 101 CA LYS A 6 20.244 14.377 -5.165 1.00 0.00 C ATOM 102 C LYS A 6 19.227 14.652 -4.063 1.00 0.00 C ATOM 103 O LYS A 6 18.505 15.648 -4.107 1.00 0.00 O ATOM 104 CB LYS A 6 21.381 15.400 -5.092 1.00 0.00 C ATOM 105 CG LYS A 6 22.096 15.419 -3.752 1.00 0.00 C ATOM 106 CD LYS A 6 23.072 14.262 -3.624 1.00 0.00 C ATOM 107 CE LYS A 6 24.397 14.573 -4.304 1.00 0.00 C ATOM 108 NZ LYS A 6 25.251 15.466 -3.473 1.00 0.00 N ATOM 0 H LYS A 6 18.991 15.214 -6.623 1.00 0.00 H new ATOM 0 HA LYS A 6 20.652 13.377 -5.016 1.00 0.00 H new ATOM 0 HB2 LYS A 6 22.105 15.183 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.979 16.393 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 6 22.631 16.362 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 6 21.363 15.369 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.245 14.045 -2.570 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.636 13.366 -4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.930 13.643 -4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 6 24.208 15.045 -5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.874 16.025 -4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 24.647 16.107 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 25.829 14.891 -2.828 1.00 0.00 H new ATOM 122 N GLU A 7 19.177 13.764 -3.075 1.00 0.00 N ATOM 123 CA GLU A 7 18.247 13.913 -1.961 1.00 0.00 C ATOM 124 C GLU A 7 18.831 14.823 -0.884 1.00 0.00 C ATOM 125 O GLU A 7 19.854 14.506 -0.278 1.00 0.00 O ATOM 126 CB GLU A 7 17.911 12.546 -1.362 1.00 0.00 C ATOM 127 CG GLU A 7 16.770 12.585 -0.359 1.00 0.00 C ATOM 128 CD GLU A 7 15.464 13.041 -0.979 1.00 0.00 C ATOM 129 OE1 GLU A 7 15.219 12.709 -2.158 1.00 0.00 O ATOM 130 OE2 GLU A 7 14.687 13.731 -0.286 1.00 0.00 O ATOM 0 H GLU A 7 19.769 12.935 -3.023 1.00 0.00 H new ATOM 0 HA GLU A 7 17.333 14.369 -2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.652 11.859 -2.168 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.799 12.144 -0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.636 11.593 0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.033 13.255 0.459 1.00 0.00 H new ATOM 137 N GLU A 8 18.172 15.954 -0.652 1.00 0.00 N ATOM 138 CA GLU A 8 18.626 16.910 0.351 1.00 0.00 C ATOM 139 C GLU A 8 17.862 16.730 1.659 1.00 0.00 C ATOM 140 O GLU A 8 16.780 16.144 1.701 1.00 0.00 O ATOM 141 CB GLU A 8 18.452 18.342 -0.161 1.00 0.00 C ATOM 142 CG GLU A 8 19.681 18.890 -0.867 1.00 0.00 C ATOM 143 CD GLU A 8 19.813 18.380 -2.289 1.00 0.00 C ATOM 144 OE1 GLU A 8 18.773 18.067 -2.905 1.00 0.00 O ATOM 145 OE2 GLU A 8 20.955 18.294 -2.785 1.00 0.00 O ATOM 0 H GLU A 8 17.323 16.230 -1.145 1.00 0.00 H new ATOM 0 HA GLU A 8 19.684 16.725 0.539 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.605 18.373 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.206 18.992 0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 8 19.633 19.979 -0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 8 20.572 18.616 -0.302 1.00 0.00 H new ATOM 152 N PRO A 9 18.438 17.245 2.756 1.00 0.00 N ATOM 153 CA PRO A 9 17.830 17.154 4.087 1.00 0.00 C ATOM 154 C PRO A 9 16.583 18.022 4.215 1.00 0.00 C ATOM 155 O PRO A 9 16.230 18.758 3.294 1.00 0.00 O ATOM 156 CB PRO A 9 18.934 17.663 5.017 1.00 0.00 C ATOM 157 CG PRO A 9 19.770 18.551 4.161 1.00 0.00 C ATOM 158 CD PRO A 9 19.727 17.956 2.781 1.00 0.00 C ATOM 0 HA PRO A 9 17.496 16.142 4.314 1.00 0.00 H new ATOM 0 HB2 PRO A 9 18.518 18.207 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.520 16.839 5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 9 19.382 19.569 4.159 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.793 18.601 4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 9 19.777 18.725 2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.563 17.278 2.609 1.00 0.00 H new ATOM 166 N GLY A 10 15.919 17.930 5.363 1.00 0.00 N ATOM 167 CA GLY A 10 14.718 18.713 5.590 1.00 0.00 C ATOM 168 C GLY A 10 13.462 17.864 5.579 1.00 0.00 C ATOM 169 O GLY A 10 13.142 17.232 4.572 1.00 0.00 O ATOM 0 H GLY A 10 16.191 17.327 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 10 14.798 19.226 6.549 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.639 19.483 4.822 1.00 0.00 H new ATOM 173 N ILE A 11 12.750 17.849 6.700 1.00 0.00 N ATOM 174 CA ILE A 11 11.523 17.071 6.815 1.00 0.00 C ATOM 175 C ILE A 11 10.313 17.978 7.012 1.00 0.00 C ATOM 176 O ILE A 11 10.326 18.871 7.859 1.00 0.00 O ATOM 177 CB ILE A 11 11.597 16.071 7.984 1.00 0.00 C ATOM 178 CG1 ILE A 11 12.902 15.275 7.920 1.00 0.00 C ATOM 179 CG2 ILE A 11 10.398 15.136 7.957 1.00 0.00 C ATOM 180 CD1 ILE A 11 13.994 15.833 8.806 1.00 0.00 C ATOM 0 H ILE A 11 13.002 18.367 7.542 1.00 0.00 H new ATOM 0 HA ILE A 11 11.412 16.518 5.882 1.00 0.00 H new ATOM 0 HB ILE A 11 11.578 16.627 8.921 1.00 0.00 H new ATOM 0 HG12 ILE A 11 12.703 14.243 8.208 1.00 0.00 H new ATOM 0 HG13 ILE A 11 13.256 15.255 6.889 1.00 0.00 H new ATOM 0 HG21 ILE A 11 10.464 14.435 8.789 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.481 15.718 8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.388 14.584 7.017 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.890 15.219 8.710 1.00 0.00 H new ATOM 0 HD12 ILE A 11 14.221 16.855 8.504 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.659 15.827 9.843 1.00 0.00 H new ATOM 192 N ALA A 12 9.268 17.742 6.226 1.00 0.00 N ATOM 193 CA ALA A 12 8.049 18.535 6.317 1.00 0.00 C ATOM 194 C ALA A 12 6.854 17.664 6.688 1.00 0.00 C ATOM 195 O ALA A 12 6.466 16.770 5.935 1.00 0.00 O ATOM 196 CB ALA A 12 7.790 19.258 5.003 1.00 0.00 C ATOM 0 H ALA A 12 9.241 17.008 5.519 1.00 0.00 H new ATOM 0 HA ALA A 12 8.185 19.275 7.106 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.876 19.846 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.628 19.918 4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.680 18.528 4.201 1.00 0.00 H new ATOM 202 N LYS A 13 6.273 17.929 7.853 1.00 0.00 N ATOM 203 CA LYS A 13 5.121 17.170 8.325 1.00 0.00 C ATOM 204 C LYS A 13 4.074 18.095 8.938 1.00 0.00 C ATOM 205 O LYS A 13 4.408 19.125 9.524 1.00 0.00 O ATOM 206 CB LYS A 13 5.560 16.125 9.354 1.00 0.00 C ATOM 207 CG LYS A 13 5.978 16.722 10.686 1.00 0.00 C ATOM 208 CD LYS A 13 6.259 15.642 11.718 1.00 0.00 C ATOM 209 CE LYS A 13 7.652 15.056 11.547 1.00 0.00 C ATOM 210 NZ LYS A 13 8.297 14.767 12.857 1.00 0.00 N ATOM 0 H LYS A 13 6.582 18.665 8.489 1.00 0.00 H new ATOM 0 HA LYS A 13 4.675 16.663 7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.741 15.425 9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.392 15.552 8.945 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.869 17.335 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.191 17.381 11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.160 16.060 12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.516 14.849 11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.591 14.138 10.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.272 15.753 10.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 9.244 14.369 12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.379 15.647 13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.719 14.083 13.385 1.00 0.00 H new ATOM 224 N LYS A 14 2.807 17.719 8.802 1.00 0.00 N ATOM 225 CA LYS A 14 1.711 18.513 9.344 1.00 0.00 C ATOM 226 C LYS A 14 1.225 17.935 10.670 1.00 0.00 C ATOM 227 O LYS A 14 0.761 16.796 10.728 1.00 0.00 O ATOM 228 CB LYS A 14 0.553 18.570 8.346 1.00 0.00 C ATOM 229 CG LYS A 14 -0.189 19.895 8.350 1.00 0.00 C ATOM 230 CD LYS A 14 -1.007 20.080 7.083 1.00 0.00 C ATOM 231 CE LYS A 14 -2.236 20.941 7.333 1.00 0.00 C ATOM 232 NZ LYS A 14 -3.316 20.668 6.345 1.00 0.00 N ATOM 0 H LYS A 14 2.514 16.869 8.321 1.00 0.00 H new ATOM 0 HA LYS A 14 2.080 19.523 9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.939 18.382 7.344 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.150 17.769 8.572 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.846 19.942 9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.525 20.713 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.388 20.542 6.314 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.315 19.106 6.702 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.610 20.756 8.340 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.958 21.994 7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.135 21.275 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.968 20.869 5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.600 19.670 6.408 1.00 0.00 H new ATOM 246 N ILE A 15 1.334 18.727 11.731 1.00 0.00 N ATOM 247 CA ILE A 15 0.903 18.294 13.054 1.00 0.00 C ATOM 248 C ILE A 15 -0.250 19.152 13.565 1.00 0.00 C ATOM 249 O ILE A 15 -0.489 20.250 13.064 1.00 0.00 O ATOM 250 CB ILE A 15 2.060 18.352 14.069 1.00 0.00 C ATOM 251 CG1 ILE A 15 2.670 19.754 14.101 1.00 0.00 C ATOM 252 CG2 ILE A 15 3.119 17.315 13.725 1.00 0.00 C ATOM 253 CD1 ILE A 15 3.072 20.207 15.487 1.00 0.00 C ATOM 0 H ILE A 15 1.717 19.672 11.700 1.00 0.00 H new ATOM 0 HA ILE A 15 0.568 17.261 12.955 1.00 0.00 H new ATOM 0 HB ILE A 15 1.666 18.125 15.060 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.546 19.775 13.452 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.952 20.463 13.690 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.930 17.368 14.451 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.675 16.320 13.749 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.512 17.513 12.728 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.497 21.209 15.433 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.195 20.219 16.135 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.814 19.520 15.893 1.00 0.00 H new ATOM 265 N ASN A 16 -0.960 18.644 14.567 1.00 0.00 N ATOM 266 CA ASN A 16 -2.087 19.364 15.147 1.00 0.00 C ATOM 267 C ASN A 16 -1.920 19.511 16.657 1.00 0.00 C ATOM 268 O ASN A 16 -2.890 19.735 17.380 1.00 0.00 O ATOM 269 CB ASN A 16 -3.397 18.637 14.837 1.00 0.00 C ATOM 270 CG ASN A 16 -3.664 17.492 15.794 1.00 0.00 C ATOM 271 OD1 ASN A 16 -4.559 17.568 16.636 1.00 0.00 O ATOM 272 ND2 ASN A 16 -2.887 16.423 15.668 1.00 0.00 N ATOM 0 H ASN A 16 -0.775 17.736 14.994 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.117 20.359 14.704 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -4.223 19.347 14.885 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -3.364 18.254 13.817 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.020 15.621 16.284 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.157 16.404 14.956 1.00 0.00 H new ATOM 279 N SER A 17 -0.682 19.384 17.124 1.00 0.00 N ATOM 280 CA SER A 17 -0.388 19.500 18.548 1.00 0.00 C ATOM 281 C SER A 17 0.911 20.268 18.773 1.00 0.00 C ATOM 282 O SER A 17 1.930 19.986 18.143 1.00 0.00 O ATOM 283 CB SER A 17 -0.289 18.112 19.184 1.00 0.00 C ATOM 284 OG SER A 17 0.464 17.230 18.371 1.00 0.00 O ATOM 0 H SER A 17 0.133 19.201 16.538 1.00 0.00 H new ATOM 0 HA SER A 17 -1.202 20.051 19.019 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.176 18.191 20.167 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.289 17.706 19.336 1.00 0.00 H new ATOM 0 HG SER A 17 1.225 17.711 17.984 1.00 0.00 H new ATOM 290 N VAL A 18 0.866 21.242 19.677 1.00 0.00 N ATOM 291 CA VAL A 18 2.039 22.051 19.988 1.00 0.00 C ATOM 292 C VAL A 18 3.043 21.266 20.824 1.00 0.00 C ATOM 293 O VAL A 18 4.218 21.625 20.900 1.00 0.00 O ATOM 294 CB VAL A 18 1.649 23.335 20.744 1.00 0.00 C ATOM 295 CG1 VAL A 18 0.620 24.130 19.954 1.00 0.00 C ATOM 296 CG2 VAL A 18 1.124 22.998 22.131 1.00 0.00 C ATOM 0 H VAL A 18 0.030 21.490 20.207 1.00 0.00 H new ATOM 0 HA VAL A 18 2.498 22.323 19.037 1.00 0.00 H new ATOM 0 HB VAL A 18 2.540 23.953 20.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.357 25.033 20.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.038 24.404 18.985 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.273 23.523 19.806 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.853 23.917 22.651 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.245 22.359 22.042 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.897 22.476 22.696 1.00 0.00 H new ATOM 306 N ASP A 19 2.572 20.193 21.450 1.00 0.00 N ATOM 307 CA ASP A 19 3.429 19.355 22.281 1.00 0.00 C ATOM 308 C ASP A 19 4.600 18.807 21.472 1.00 0.00 C ATOM 309 O ASP A 19 5.719 18.700 21.975 1.00 0.00 O ATOM 310 CB ASP A 19 2.623 18.203 22.882 1.00 0.00 C ATOM 311 CG ASP A 19 3.334 17.547 24.050 1.00 0.00 C ATOM 312 OD1 ASP A 19 4.119 16.605 23.815 1.00 0.00 O ATOM 313 OD2 ASP A 19 3.105 17.977 25.200 1.00 0.00 O ATOM 0 H ASP A 19 1.602 19.883 21.398 1.00 0.00 H new ATOM 0 HA ASP A 19 3.825 19.970 23.089 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.654 18.575 23.213 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.431 17.456 22.111 1.00 0.00 H new ATOM 318 N ASP A 20 4.335 18.459 20.218 1.00 0.00 N ATOM 319 CA ASP A 20 5.367 17.920 19.339 1.00 0.00 C ATOM 320 C ASP A 20 6.189 19.043 18.715 1.00 0.00 C ATOM 321 O ASP A 20 6.306 19.134 17.492 1.00 0.00 O ATOM 322 CB ASP A 20 4.736 17.062 18.242 1.00 0.00 C ATOM 323 CG ASP A 20 4.452 15.647 18.706 1.00 0.00 C ATOM 324 OD1 ASP A 20 5.363 14.799 18.614 1.00 0.00 O ATOM 325 OD2 ASP A 20 3.317 15.387 19.159 1.00 0.00 O ATOM 0 H ASP A 20 3.414 18.540 19.787 1.00 0.00 H new ATOM 0 HA ASP A 20 6.031 17.297 19.938 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.807 17.526 17.911 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.402 17.032 17.380 1.00 0.00 H new ATOM 330 N ILE A 21 6.755 19.897 19.561 1.00 0.00 N ATOM 331 CA ILE A 21 7.565 21.014 19.091 1.00 0.00 C ATOM 332 C ILE A 21 8.898 21.075 19.829 1.00 0.00 C ATOM 333 O ILE A 21 8.937 21.256 21.047 1.00 0.00 O ATOM 334 CB ILE A 21 6.831 22.356 19.269 1.00 0.00 C ATOM 335 CG1 ILE A 21 5.547 22.374 18.438 1.00 0.00 C ATOM 336 CG2 ILE A 21 7.739 23.512 18.876 1.00 0.00 C ATOM 337 CD1 ILE A 21 4.717 23.624 18.634 1.00 0.00 C ATOM 0 H ILE A 21 6.668 19.837 20.575 1.00 0.00 H new ATOM 0 HA ILE A 21 7.747 20.847 18.029 1.00 0.00 H new ATOM 0 HB ILE A 21 6.563 22.470 20.319 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.805 22.281 17.383 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.944 21.503 18.697 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.206 24.454 19.007 1.00 0.00 H new ATOM 0 HG22 ILE A 21 8.628 23.507 19.507 1.00 0.00 H new ATOM 0 HG23 ILE A 21 8.034 23.404 17.832 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.822 23.568 18.014 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.428 23.708 19.682 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.302 24.498 18.348 1.00 0.00 H new ATOM 349 N ILE A 22 9.988 20.923 19.084 1.00 0.00 N ATOM 350 CA ILE A 22 11.323 20.964 19.668 1.00 0.00 C ATOM 351 C ILE A 22 12.042 22.259 19.307 1.00 0.00 C ATOM 352 O ILE A 22 11.555 23.044 18.492 1.00 0.00 O ATOM 353 CB ILE A 22 12.177 19.769 19.203 1.00 0.00 C ATOM 354 CG1 ILE A 22 12.126 19.640 17.679 1.00 0.00 C ATOM 355 CG2 ILE A 22 11.698 18.486 19.865 1.00 0.00 C ATOM 356 CD1 ILE A 22 13.100 18.624 17.126 1.00 0.00 C ATOM 0 H ILE A 22 9.973 20.770 18.076 1.00 0.00 H new ATOM 0 HA ILE A 22 11.196 20.911 20.749 1.00 0.00 H new ATOM 0 HB ILE A 22 13.211 19.943 19.500 1.00 0.00 H new ATOM 0 HG12 ILE A 22 11.115 19.363 17.380 1.00 0.00 H new ATOM 0 HG13 ILE A 22 12.335 20.612 17.233 1.00 0.00 H new ATOM 0 HG21 ILE A 22 12.311 17.651 19.526 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.782 18.582 20.948 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.657 18.304 19.596 1.00 0.00 H new ATOM 0 HD11 ILE A 22 13.009 18.586 16.041 1.00 0.00 H new ATOM 0 HD12 ILE A 22 14.117 18.911 17.395 1.00 0.00 H new ATOM 0 HD13 ILE A 22 12.878 17.642 17.544 1.00 0.00 H new ATOM 368 N ILE A 23 13.203 22.475 19.916 1.00 0.00 N ATOM 369 CA ILE A 23 13.990 23.674 19.656 1.00 0.00 C ATOM 370 C ILE A 23 14.548 23.668 18.237 1.00 0.00 C ATOM 371 O ILE A 23 14.899 24.715 17.691 1.00 0.00 O ATOM 372 CB ILE A 23 15.155 23.810 20.654 1.00 0.00 C ATOM 373 CG1 ILE A 23 14.625 23.854 22.088 1.00 0.00 C ATOM 374 CG2 ILE A 23 15.973 25.055 20.347 1.00 0.00 C ATOM 375 CD1 ILE A 23 14.600 22.501 22.765 1.00 0.00 C ATOM 0 H ILE A 23 13.619 21.835 20.593 1.00 0.00 H new ATOM 0 HA ILE A 23 13.319 24.524 19.776 1.00 0.00 H new ATOM 0 HB ILE A 23 15.803 22.939 20.553 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.243 24.533 22.675 1.00 0.00 H new ATOM 0 HG13 ILE A 23 13.616 24.267 22.081 1.00 0.00 H new ATOM 0 HG21 ILE A 23 16.793 25.137 21.061 1.00 0.00 H new ATOM 0 HG22 ILE A 23 16.377 24.985 19.337 1.00 0.00 H new ATOM 0 HG23 ILE A 23 15.336 25.936 20.423 1.00 0.00 H new ATOM 0 HD11 ILE A 23 14.213 22.608 23.778 1.00 0.00 H new ATOM 0 HD12 ILE A 23 13.958 21.824 22.201 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.611 22.095 22.804 1.00 0.00 H new ATOM 387 N LYS A 24 14.626 22.482 17.643 1.00 0.00 N ATOM 388 CA LYS A 24 15.139 22.338 16.286 1.00 0.00 C ATOM 389 C LYS A 24 14.000 22.334 15.271 1.00 0.00 C ATOM 390 O LYS A 24 14.222 22.144 14.075 1.00 0.00 O ATOM 391 CB LYS A 24 15.953 21.048 16.160 1.00 0.00 C ATOM 392 CG LYS A 24 17.165 21.002 17.074 1.00 0.00 C ATOM 393 CD LYS A 24 16.809 20.450 18.444 1.00 0.00 C ATOM 394 CE LYS A 24 18.034 19.900 19.159 1.00 0.00 C ATOM 395 NZ LYS A 24 18.353 18.512 18.724 1.00 0.00 N ATOM 0 H LYS A 24 14.340 21.606 18.081 1.00 0.00 H new ATOM 0 HA LYS A 24 15.786 23.190 16.077 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.308 20.198 16.383 1.00 0.00 H new ATOM 0 HB3 LYS A 24 16.283 20.936 15.127 1.00 0.00 H new ATOM 0 HG2 LYS A 24 17.940 20.383 16.621 1.00 0.00 H new ATOM 0 HG3 LYS A 24 17.580 22.004 17.181 1.00 0.00 H new ATOM 0 HD2 LYS A 24 16.356 21.236 19.048 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.064 19.661 18.337 1.00 0.00 H new ATOM 0 HE2 LYS A 24 18.889 20.547 18.964 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.863 19.913 20.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.194 18.173 19.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.547 17.889 18.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.542 18.503 17.701 1.00 0.00 H new ATOM 409 N CYS A 25 12.781 22.547 15.756 1.00 0.00 N ATOM 410 CA CYS A 25 11.607 22.569 14.891 1.00 0.00 C ATOM 411 C CYS A 25 11.327 23.982 14.390 1.00 0.00 C ATOM 412 O CYS A 25 11.786 24.961 14.977 1.00 0.00 O ATOM 413 CB CYS A 25 10.387 22.029 15.639 1.00 0.00 C ATOM 414 SG CYS A 25 9.335 20.942 14.648 1.00 0.00 S ATOM 0 H CYS A 25 12.580 22.707 16.743 1.00 0.00 H new ATOM 0 HA CYS A 25 11.808 21.931 14.030 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.726 21.484 16.520 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.790 22.869 15.994 1.00 0.00 H new ATOM 0 HG CYS A 25 9.601 19.702 14.934 1.00 0.00 H new ATOM 420 N GLN A 26 10.573 24.078 13.300 1.00 0.00 N ATOM 421 CA GLN A 26 10.234 25.372 12.718 1.00 0.00 C ATOM 422 C GLN A 26 8.772 25.408 12.286 1.00 0.00 C ATOM 423 O GLN A 26 8.303 24.518 11.575 1.00 0.00 O ATOM 424 CB GLN A 26 11.140 25.669 11.522 1.00 0.00 C ATOM 425 CG GLN A 26 12.615 25.751 11.880 1.00 0.00 C ATOM 426 CD GLN A 26 13.495 26.018 10.675 1.00 0.00 C ATOM 427 OE1 GLN A 26 14.253 25.150 10.242 1.00 0.00 O ATOM 428 NE2 GLN A 26 13.398 27.223 10.126 1.00 0.00 N ATOM 0 H GLN A 26 10.185 23.277 12.802 1.00 0.00 H new ATOM 0 HA GLN A 26 10.387 26.137 13.479 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.000 24.893 10.770 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.832 26.611 11.069 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.763 26.542 12.615 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.923 24.817 12.350 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.756 27.912 10.518 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.965 27.460 9.312 1.00 0.00 H new ATOM 437 N CYS A 27 8.058 26.441 12.719 1.00 0.00 N ATOM 438 CA CYS A 27 6.648 26.593 12.377 1.00 0.00 C ATOM 439 C CYS A 27 6.358 28.005 11.880 1.00 0.00 C ATOM 440 O CYS A 27 7.275 28.795 11.656 1.00 0.00 O ATOM 441 CB CYS A 27 5.772 26.276 13.589 1.00 0.00 C ATOM 442 SG CYS A 27 5.852 27.515 14.903 1.00 0.00 S ATOM 0 H CYS A 27 8.432 27.186 13.307 1.00 0.00 H new ATOM 0 HA CYS A 27 6.416 25.891 11.576 1.00 0.00 H new ATOM 0 HB2 CYS A 27 4.738 26.177 13.260 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.070 25.310 13.997 1.00 0.00 H new ATOM 0 HG CYS A 27 5.076 27.159 15.883 1.00 0.00 H new ATOM 448 N TRP A 28 5.078 28.315 11.709 1.00 0.00 N ATOM 449 CA TRP A 28 4.667 29.632 11.236 1.00 0.00 C ATOM 450 C TRP A 28 3.845 30.358 12.295 1.00 0.00 C ATOM 451 O TRP A 28 2.975 29.766 12.934 1.00 0.00 O ATOM 452 CB TRP A 28 3.858 29.504 9.945 1.00 0.00 C ATOM 453 CG TRP A 28 4.700 29.191 8.745 1.00 0.00 C ATOM 454 CD1 TRP A 28 5.167 27.964 8.368 1.00 0.00 C ATOM 455 CD2 TRP A 28 5.177 30.121 7.767 1.00 0.00 C ATOM 456 NE1 TRP A 28 5.905 28.075 7.215 1.00 0.00 N ATOM 457 CE2 TRP A 28 5.926 29.388 6.825 1.00 0.00 C ATOM 458 CE3 TRP A 28 5.043 31.501 7.593 1.00 0.00 C ATOM 459 CZ2 TRP A 28 6.538 29.991 5.729 1.00 0.00 C ATOM 460 CZ3 TRP A 28 5.651 32.098 6.505 1.00 0.00 C ATOM 461 CH2 TRP A 28 6.390 31.344 5.584 1.00 0.00 C ATOM 0 H TRP A 28 4.307 27.673 11.891 1.00 0.00 H new ATOM 0 HA TRP A 28 5.566 30.215 11.037 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.110 28.721 10.069 1.00 0.00 H new ATOM 0 HB3 TRP A 28 3.319 30.435 9.769 1.00 0.00 H new ATOM 0 HD1 TRP A 28 4.983 27.042 8.899 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.363 27.305 6.728 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.474 32.091 8.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.109 29.412 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.555 33.164 6.362 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.852 31.840 4.743 1.00 0.00 H new ATOM 472 N VAL A 29 4.126 31.645 12.477 1.00 0.00 N ATOM 473 CA VAL A 29 3.412 32.452 13.459 1.00 0.00 C ATOM 474 C VAL A 29 2.607 33.556 12.781 1.00 0.00 C ATOM 475 O VAL A 29 3.033 34.117 11.772 1.00 0.00 O ATOM 476 CB VAL A 29 4.379 33.087 14.475 1.00 0.00 C ATOM 477 CG1 VAL A 29 3.616 33.935 15.481 1.00 0.00 C ATOM 478 CG2 VAL A 29 5.192 32.012 15.179 1.00 0.00 C ATOM 0 H VAL A 29 4.843 32.151 11.957 1.00 0.00 H new ATOM 0 HA VAL A 29 2.733 31.782 13.986 1.00 0.00 H new ATOM 0 HB VAL A 29 5.068 33.738 13.937 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.316 34.375 16.191 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.083 34.728 14.958 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.902 33.310 16.017 1.00 0.00 H new ATOM 0 HG21 VAL A 29 5.870 32.478 15.894 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.520 31.334 15.706 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.769 31.452 14.443 1.00 0.00 H new ATOM 488 N GLN A 30 1.442 33.862 13.344 1.00 0.00 N ATOM 489 CA GLN A 30 0.578 34.899 12.793 1.00 0.00 C ATOM 490 C GLN A 30 1.006 36.280 13.279 1.00 0.00 C ATOM 491 O GLN A 30 1.014 36.553 14.480 1.00 0.00 O ATOM 492 CB GLN A 30 -0.879 34.638 13.182 1.00 0.00 C ATOM 493 CG GLN A 30 -1.884 35.332 12.277 1.00 0.00 C ATOM 494 CD GLN A 30 -3.319 35.027 12.657 1.00 0.00 C ATOM 495 OE1 GLN A 30 -3.833 35.542 13.650 1.00 0.00 O ATOM 496 NE2 GLN A 30 -3.975 34.185 11.866 1.00 0.00 N ATOM 0 H GLN A 30 1.076 33.407 14.180 1.00 0.00 H new ATOM 0 HA GLN A 30 0.668 34.872 11.707 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.065 33.564 13.161 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.037 34.969 14.208 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.722 36.409 12.319 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.712 35.024 11.246 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.510 33.781 11.053 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.944 33.942 12.072 1.00 0.00 H new ATOM 505 N LYS A 31 1.364 37.148 12.339 1.00 0.00 N ATOM 506 CA LYS A 31 1.793 38.501 12.669 1.00 0.00 C ATOM 507 C LYS A 31 1.271 39.503 11.645 1.00 0.00 C ATOM 508 O LYS A 31 1.410 39.301 10.439 1.00 0.00 O ATOM 509 CB LYS A 31 3.321 38.571 12.735 1.00 0.00 C ATOM 510 CG LYS A 31 3.887 38.228 14.102 1.00 0.00 C ATOM 511 CD LYS A 31 3.575 39.310 15.123 1.00 0.00 C ATOM 512 CE LYS A 31 4.620 40.414 15.101 1.00 0.00 C ATOM 513 NZ LYS A 31 4.569 41.251 16.331 1.00 0.00 N ATOM 0 H LYS A 31 1.365 36.938 11.341 1.00 0.00 H new ATOM 0 HA LYS A 31 1.381 38.758 13.645 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.740 37.888 11.996 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.643 39.575 12.459 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.474 37.278 14.440 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.967 38.097 14.027 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.592 39.734 14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.530 38.870 16.119 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.612 39.973 15.003 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.463 41.045 14.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.297 41.992 16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.631 41.692 16.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.744 40.654 17.165 1.00 0.00 H new ATOM 527 N ASN A 32 0.673 40.585 12.133 1.00 0.00 N ATOM 528 CA ASN A 32 0.131 41.619 11.259 1.00 0.00 C ATOM 529 C ASN A 32 -0.806 41.015 10.218 1.00 0.00 C ATOM 530 O ASN A 32 -0.663 41.264 9.021 1.00 0.00 O ATOM 531 CB ASN A 32 1.266 42.374 10.564 1.00 0.00 C ATOM 532 CG ASN A 32 2.347 42.813 11.533 1.00 0.00 C ATOM 533 OD1 ASN A 32 2.063 43.435 12.557 1.00 0.00 O ATOM 534 ND2 ASN A 32 3.595 42.490 11.212 1.00 0.00 N ATOM 0 H ASN A 32 0.552 40.768 13.129 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.439 42.317 11.872 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.706 41.737 9.797 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.859 43.249 10.057 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.365 42.758 11.825 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.783 41.974 10.353 1.00 0.00 H new ATOM 541 N ASP A 33 -1.765 40.222 10.682 1.00 0.00 N ATOM 542 CA ASP A 33 -2.727 39.584 9.792 1.00 0.00 C ATOM 543 C ASP A 33 -2.015 38.822 8.678 1.00 0.00 C ATOM 544 O ASP A 33 -2.546 38.672 7.578 1.00 0.00 O ATOM 545 CB ASP A 33 -3.669 40.628 9.190 1.00 0.00 C ATOM 546 CG ASP A 33 -4.473 41.359 10.247 1.00 0.00 C ATOM 547 OD1 ASP A 33 -4.501 40.888 11.404 1.00 0.00 O ATOM 548 OD2 ASP A 33 -5.074 42.403 9.918 1.00 0.00 O ATOM 0 H ASP A 33 -1.897 40.006 11.670 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.311 38.874 10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.088 41.350 8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.350 40.140 8.493 1.00 0.00 H new ATOM 553 N GLU A 34 -0.810 38.343 8.972 1.00 0.00 N ATOM 554 CA GLU A 34 -0.025 37.599 7.995 1.00 0.00 C ATOM 555 C GLU A 34 0.688 36.421 8.653 1.00 0.00 C ATOM 556 O GLU A 34 0.596 36.225 9.864 1.00 0.00 O ATOM 557 CB GLU A 34 0.997 38.518 7.322 1.00 0.00 C ATOM 558 CG GLU A 34 0.374 39.540 6.387 1.00 0.00 C ATOM 559 CD GLU A 34 1.304 39.943 5.259 1.00 0.00 C ATOM 560 OE1 GLU A 34 2.100 40.885 5.455 1.00 0.00 O ATOM 561 OE2 GLU A 34 1.237 39.316 4.181 1.00 0.00 O ATOM 0 H GLU A 34 -0.357 38.457 9.879 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.707 37.211 7.238 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.565 39.041 8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.706 37.909 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.544 39.130 5.967 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.096 40.426 6.957 1.00 0.00 H new ATOM 568 N GLU A 35 1.399 35.641 7.845 1.00 0.00 N ATOM 569 CA GLU A 35 2.127 34.482 8.349 1.00 0.00 C ATOM 570 C GLU A 35 3.627 34.639 8.117 1.00 0.00 C ATOM 571 O GLU A 35 4.064 34.968 7.014 1.00 0.00 O ATOM 572 CB GLU A 35 1.626 33.204 7.673 1.00 0.00 C ATOM 573 CG GLU A 35 1.283 32.093 8.650 1.00 0.00 C ATOM 574 CD GLU A 35 -0.191 32.061 9.004 1.00 0.00 C ATOM 575 OE1 GLU A 35 -1.001 31.663 8.140 1.00 0.00 O ATOM 576 OE2 GLU A 35 -0.536 32.435 10.145 1.00 0.00 O ATOM 0 H GLU A 35 1.486 35.790 6.840 1.00 0.00 H new ATOM 0 HA GLU A 35 1.948 34.411 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.743 33.439 7.079 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.389 32.846 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.570 31.134 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.869 32.221 9.560 1.00 0.00 H new ATOM 583 N ARG A 36 4.410 34.401 9.164 1.00 0.00 N ATOM 584 CA ARG A 36 5.860 34.517 9.076 1.00 0.00 C ATOM 585 C ARG A 36 6.541 33.277 9.649 1.00 0.00 C ATOM 586 O ARG A 36 6.192 32.810 10.734 1.00 0.00 O ATOM 587 CB ARG A 36 6.340 35.765 9.820 1.00 0.00 C ATOM 588 CG ARG A 36 6.194 37.047 9.016 1.00 0.00 C ATOM 589 CD ARG A 36 6.054 38.259 9.923 1.00 0.00 C ATOM 590 NE ARG A 36 5.987 39.505 9.164 1.00 0.00 N ATOM 591 CZ ARG A 36 6.209 40.702 9.695 1.00 0.00 C ATOM 592 NH1 ARG A 36 6.512 40.815 10.981 1.00 0.00 N ATOM 593 NH2 ARG A 36 6.130 41.790 8.940 1.00 0.00 N ATOM 0 H ARG A 36 4.064 34.127 10.083 1.00 0.00 H new ATOM 0 HA ARG A 36 6.128 34.604 8.023 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.778 35.863 10.749 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.387 35.635 10.093 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.062 37.173 8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 36 5.321 36.974 8.367 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.155 38.156 10.530 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.900 38.298 10.610 1.00 0.00 H new ATOM 0 HE ARG A 36 5.757 39.453 8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 36 6.575 39.981 11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.682 41.736 11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.898 41.708 7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.301 42.708 9.350 1.00 0.00 H new ATOM 607 N LEU A 37 7.512 32.749 8.912 1.00 0.00 N ATOM 608 CA LEU A 37 8.242 31.562 9.346 1.00 0.00 C ATOM 609 C LEU A 37 9.037 31.846 10.617 1.00 0.00 C ATOM 610 O LEU A 37 9.913 32.711 10.632 1.00 0.00 O ATOM 611 CB LEU A 37 9.182 31.084 8.239 1.00 0.00 C ATOM 612 CG LEU A 37 9.834 29.718 8.455 1.00 0.00 C ATOM 613 CD1 LEU A 37 9.023 28.626 7.777 1.00 0.00 C ATOM 614 CD2 LEU A 37 11.265 29.722 7.936 1.00 0.00 C ATOM 0 H LEU A 37 7.812 33.123 8.012 1.00 0.00 H new ATOM 0 HA LEU A 37 7.516 30.778 9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.623 31.054 7.304 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.971 31.825 8.115 1.00 0.00 H new ATOM 0 HG LEU A 37 9.857 29.513 9.525 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.503 27.661 7.942 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.017 28.607 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.967 28.825 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.714 28.742 8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.265 29.949 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.843 30.478 8.468 1.00 0.00 H new ATOM 626 N ALA A 38 8.727 31.111 11.680 1.00 0.00 N ATOM 627 CA ALA A 38 9.415 31.281 12.953 1.00 0.00 C ATOM 628 C ALA A 38 10.059 29.976 13.408 1.00 0.00 C ATOM 629 O ALA A 38 9.445 28.912 13.332 1.00 0.00 O ATOM 630 CB ALA A 38 8.448 31.792 14.011 1.00 0.00 C ATOM 0 H ALA A 38 8.004 30.392 11.684 1.00 0.00 H new ATOM 0 HA ALA A 38 10.207 32.017 12.814 1.00 0.00 H new ATOM 0 HB1 ALA A 38 8.975 31.914 14.957 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.039 32.752 13.697 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.636 31.076 14.138 1.00 0.00 H new ATOM 636 N GLU A 39 11.298 30.065 13.880 1.00 0.00 N ATOM 637 CA GLU A 39 12.025 28.889 14.345 1.00 0.00 C ATOM 638 C GLU A 39 11.982 28.790 15.867 1.00 0.00 C ATOM 639 O GLU A 39 12.100 29.795 16.568 1.00 0.00 O ATOM 640 CB GLU A 39 13.477 28.938 13.866 1.00 0.00 C ATOM 641 CG GLU A 39 14.360 27.871 14.492 1.00 0.00 C ATOM 642 CD GLU A 39 15.683 27.710 13.769 1.00 0.00 C ATOM 643 OE1 GLU A 39 15.752 28.065 12.573 1.00 0.00 O ATOM 644 OE2 GLU A 39 16.649 27.231 14.398 1.00 0.00 O ATOM 0 H GLU A 39 11.820 30.939 13.951 1.00 0.00 H new ATOM 0 HA GLU A 39 11.542 28.005 13.927 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.497 28.825 12.782 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.892 29.920 14.092 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.549 28.127 15.535 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.830 26.918 14.489 1.00 0.00 H new ATOM 651 N ILE A 40 11.811 27.572 16.370 1.00 0.00 N ATOM 652 CA ILE A 40 11.753 27.342 17.808 1.00 0.00 C ATOM 653 C ILE A 40 13.121 27.540 18.452 1.00 0.00 C ATOM 654 O ILE A 40 14.149 27.175 17.879 1.00 0.00 O ATOM 655 CB ILE A 40 11.248 25.923 18.131 1.00 0.00 C ATOM 656 CG1 ILE A 40 9.953 25.634 17.368 1.00 0.00 C ATOM 657 CG2 ILE A 40 11.033 25.765 19.628 1.00 0.00 C ATOM 658 CD1 ILE A 40 8.793 26.507 17.793 1.00 0.00 C ATOM 0 H ILE A 40 11.710 26.730 15.803 1.00 0.00 H new ATOM 0 HA ILE A 40 11.052 28.071 18.216 1.00 0.00 H new ATOM 0 HB ILE A 40 12.003 25.203 17.815 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.130 25.773 16.302 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.682 24.588 17.512 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.676 24.757 19.840 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.974 25.934 20.151 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.294 26.490 19.968 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.909 26.247 17.211 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.589 26.350 18.852 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.044 27.554 17.623 1.00 0.00 H new ATOM 670 N LEU A 41 13.127 28.120 19.648 1.00 0.00 N ATOM 671 CA LEU A 41 14.369 28.366 20.372 1.00 0.00 C ATOM 672 C LEU A 41 14.356 27.667 21.728 1.00 0.00 C ATOM 673 O LEU A 41 15.391 27.209 22.211 1.00 0.00 O ATOM 674 CB LEU A 41 14.582 29.869 20.563 1.00 0.00 C ATOM 675 CG LEU A 41 15.130 30.628 19.354 1.00 0.00 C ATOM 676 CD1 LEU A 41 15.266 32.109 19.670 1.00 0.00 C ATOM 677 CD2 LEU A 41 16.468 30.048 18.922 1.00 0.00 C ATOM 0 H LEU A 41 12.286 28.428 20.136 1.00 0.00 H new ATOM 0 HA LEU A 41 15.191 27.961 19.782 1.00 0.00 H new ATOM 0 HB2 LEU A 41 13.630 30.317 20.847 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.266 30.015 21.399 1.00 0.00 H new ATOM 0 HG LEU A 41 14.425 30.517 18.530 1.00 0.00 H new ATOM 0 HD11 LEU A 41 15.657 32.633 18.798 1.00 0.00 H new ATOM 0 HD12 LEU A 41 14.289 32.517 19.930 1.00 0.00 H new ATOM 0 HD13 LEU A 41 15.949 32.241 20.509 1.00 0.00 H new ATOM 0 HD21 LEU A 41 16.843 30.600 18.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 17.181 30.128 19.743 1.00 0.00 H new ATOM 0 HD23 LEU A 41 16.340 28.999 18.653 1.00 0.00 H new ATOM 689 N SER A 42 13.176 27.587 22.336 1.00 0.00 N ATOM 690 CA SER A 42 13.029 26.944 23.636 1.00 0.00 C ATOM 691 C SER A 42 11.555 26.756 23.985 1.00 0.00 C ATOM 692 O SER A 42 10.698 27.518 23.537 1.00 0.00 O ATOM 693 CB SER A 42 13.719 27.774 24.720 1.00 0.00 C ATOM 694 OG SER A 42 14.590 26.973 25.500 1.00 0.00 O ATOM 0 H SER A 42 12.309 27.959 21.949 1.00 0.00 H new ATOM 0 HA SER A 42 13.501 25.963 23.584 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.282 28.585 24.258 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.969 28.233 25.363 1.00 0.00 H new ATOM 0 HG SER A 42 15.020 27.528 26.184 1.00 0.00 H new ATOM 700 N ILE A 43 11.269 25.736 24.787 1.00 0.00 N ATOM 701 CA ILE A 43 9.901 25.447 25.196 1.00 0.00 C ATOM 702 C ILE A 43 9.729 25.623 26.701 1.00 0.00 C ATOM 703 O ILE A 43 10.542 25.143 27.490 1.00 0.00 O ATOM 704 CB ILE A 43 9.487 24.015 24.808 1.00 0.00 C ATOM 705 CG1 ILE A 43 9.598 23.822 23.294 1.00 0.00 C ATOM 706 CG2 ILE A 43 8.070 23.727 25.281 1.00 0.00 C ATOM 707 CD1 ILE A 43 10.592 22.755 22.893 1.00 0.00 C ATOM 0 H ILE A 43 11.967 25.096 25.166 1.00 0.00 H new ATOM 0 HA ILE A 43 9.259 26.156 24.673 1.00 0.00 H new ATOM 0 HB ILE A 43 10.162 23.312 25.296 1.00 0.00 H new ATOM 0 HG12 ILE A 43 8.617 23.562 22.896 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.887 24.768 22.835 1.00 0.00 H new ATOM 0 HG21 ILE A 43 7.792 22.711 24.999 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.020 23.830 26.365 1.00 0.00 H new ATOM 0 HG23 ILE A 43 7.381 24.433 24.818 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.619 22.672 21.806 1.00 0.00 H new ATOM 0 HD12 ILE A 43 11.582 23.024 23.261 1.00 0.00 H new ATOM 0 HD13 ILE A 43 10.293 21.799 23.322 1.00 0.00 H new ATOM 719 N ASN A 44 8.663 26.315 27.093 1.00 0.00 N ATOM 720 CA ASN A 44 8.383 26.554 28.504 1.00 0.00 C ATOM 721 C ASN A 44 6.979 26.080 28.868 1.00 0.00 C ATOM 722 O ASN A 44 5.989 26.744 28.560 1.00 0.00 O ATOM 723 CB ASN A 44 8.533 28.041 28.830 1.00 0.00 C ATOM 724 CG ASN A 44 8.396 28.324 30.314 1.00 0.00 C ATOM 725 OD1 ASN A 44 8.471 27.415 31.140 1.00 0.00 O ATOM 726 ND2 ASN A 44 8.193 29.590 30.658 1.00 0.00 N ATOM 0 H ASN A 44 7.980 26.720 26.453 1.00 0.00 H new ATOM 0 HA ASN A 44 9.103 25.986 29.093 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.506 28.390 28.485 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.779 28.608 28.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.092 29.841 31.641 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.138 30.311 29.939 1.00 0.00 H new ATOM 733 N THR A 45 6.901 24.928 29.526 1.00 0.00 N ATOM 734 CA THR A 45 5.620 24.365 29.932 1.00 0.00 C ATOM 735 C THR A 45 5.332 24.655 31.401 1.00 0.00 C ATOM 736 O THR A 45 5.259 23.740 32.221 1.00 0.00 O ATOM 737 CB THR A 45 5.578 22.842 29.704 1.00 0.00 C ATOM 738 OG1 THR A 45 6.655 22.211 30.406 1.00 0.00 O ATOM 739 CG2 THR A 45 5.671 22.514 28.221 1.00 0.00 C ATOM 0 H THR A 45 7.711 24.366 29.789 1.00 0.00 H new ATOM 0 HA THR A 45 4.857 24.839 29.314 1.00 0.00 H new ATOM 0 HB THR A 45 4.628 22.466 30.084 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.567 22.386 31.366 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.639 21.433 28.085 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.833 22.971 27.694 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.607 22.903 27.820 1.00 0.00 H new ATOM 747 N ARG A 46 5.168 25.933 31.725 1.00 0.00 N ATOM 748 CA ARG A 46 4.888 26.344 33.096 1.00 0.00 C ATOM 749 C ARG A 46 3.537 27.047 33.188 1.00 0.00 C ATOM 750 O ARG A 46 3.202 27.641 34.213 1.00 0.00 O ATOM 751 CB ARG A 46 5.993 27.269 33.609 1.00 0.00 C ATOM 752 CG ARG A 46 7.167 26.530 34.231 1.00 0.00 C ATOM 753 CD ARG A 46 8.184 27.495 34.820 1.00 0.00 C ATOM 754 NE ARG A 46 9.194 26.805 35.617 1.00 0.00 N ATOM 755 CZ ARG A 46 10.229 26.159 35.093 1.00 0.00 C ATOM 756 NH1 ARG A 46 10.390 26.114 33.777 1.00 0.00 N ATOM 757 NH2 ARG A 46 11.107 25.555 35.885 1.00 0.00 N ATOM 0 H ARG A 46 5.224 26.702 31.057 1.00 0.00 H new ATOM 0 HA ARG A 46 4.855 25.449 33.718 1.00 0.00 H new ATOM 0 HB2 ARG A 46 6.356 27.880 32.783 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.571 27.950 34.348 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.805 25.861 35.011 1.00 0.00 H new ATOM 0 HG3 ARG A 46 7.648 25.909 33.476 1.00 0.00 H new ATOM 0 HD2 ARG A 46 8.671 28.045 34.015 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.670 28.228 35.442 1.00 0.00 H new ATOM 0 HE ARG A 46 9.099 26.820 36.632 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.718 26.576 33.165 1.00 0.00 H new ATOM 0 HH12 ARG A 46 11.186 25.617 33.377 1.00 0.00 H new ATOM 0 HH21 ARG A 46 10.987 25.587 36.897 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.902 25.059 35.481 1.00 0.00 H new ATOM 771 N LYS A 47 2.765 26.976 32.109 1.00 0.00 N ATOM 772 CA LYS A 47 1.450 27.605 32.066 1.00 0.00 C ATOM 773 C LYS A 47 0.444 26.713 31.346 1.00 0.00 C ATOM 774 O LYS A 47 0.797 25.653 30.830 1.00 0.00 O ATOM 775 CB LYS A 47 1.534 28.964 31.368 1.00 0.00 C ATOM 776 CG LYS A 47 0.552 29.988 31.910 1.00 0.00 C ATOM 777 CD LYS A 47 1.065 31.406 31.724 1.00 0.00 C ATOM 778 CE LYS A 47 0.449 32.359 32.737 1.00 0.00 C ATOM 779 NZ LYS A 47 -0.939 32.746 32.361 1.00 0.00 N ATOM 0 H LYS A 47 3.027 26.489 31.252 1.00 0.00 H new ATOM 0 HA LYS A 47 1.111 27.751 33.092 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.547 29.354 31.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.352 28.827 30.302 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.407 29.878 31.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.376 29.800 32.969 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.150 31.418 31.825 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.835 31.748 30.715 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.441 31.889 33.720 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.067 33.254 32.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.324 33.396 33.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.929 33.218 31.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.535 31.895 32.310 1.00 0.00 H new ATOM 793 N ALA A 48 -0.811 27.150 31.315 1.00 0.00 N ATOM 794 CA ALA A 48 -1.867 26.392 30.655 1.00 0.00 C ATOM 795 C ALA A 48 -2.816 27.317 29.900 1.00 0.00 C ATOM 796 O ALA A 48 -3.660 27.994 30.488 1.00 0.00 O ATOM 797 CB ALA A 48 -2.635 25.561 31.672 1.00 0.00 C ATOM 0 H ALA A 48 -1.121 28.024 31.739 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.402 25.722 29.932 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.420 25.000 31.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.953 24.867 32.164 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.082 26.219 32.417 1.00 0.00 H new ATOM 803 N PRO A 49 -2.677 27.348 28.566 1.00 0.00 N ATOM 804 CA PRO A 49 -1.677 26.547 27.856 1.00 0.00 C ATOM 805 C PRO A 49 -0.255 27.033 28.113 1.00 0.00 C ATOM 806 O PRO A 49 -0.031 28.137 28.612 1.00 0.00 O ATOM 807 CB PRO A 49 -2.049 26.738 26.383 1.00 0.00 C ATOM 808 CG PRO A 49 -2.758 28.048 26.339 1.00 0.00 C ATOM 809 CD PRO A 49 -3.486 28.169 27.649 1.00 0.00 C ATOM 0 HA PRO A 49 -1.684 25.506 28.180 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.163 26.746 25.749 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.688 25.930 26.028 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.053 28.869 26.207 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.454 28.087 25.501 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.544 29.205 27.982 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.509 27.800 27.576 1.00 0.00 H new ATOM 817 N PRO A 50 0.731 26.193 27.766 1.00 0.00 N ATOM 818 CA PRO A 50 2.149 26.517 27.950 1.00 0.00 C ATOM 819 C PRO A 50 2.620 27.616 27.004 1.00 0.00 C ATOM 820 O PRO A 50 1.834 28.161 26.228 1.00 0.00 O ATOM 821 CB PRO A 50 2.859 25.198 27.633 1.00 0.00 C ATOM 822 CG PRO A 50 1.923 24.473 26.728 1.00 0.00 C ATOM 823 CD PRO A 50 0.538 24.862 27.167 1.00 0.00 C ATOM 0 HA PRO A 50 2.353 26.897 28.951 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.821 25.372 27.151 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.056 24.626 28.540 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.094 24.749 25.687 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.067 23.395 26.800 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.155 24.896 26.326 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.131 24.152 27.887 1.00 0.00 H new ATOM 831 N LYS A 51 3.907 27.938 27.073 1.00 0.00 N ATOM 832 CA LYS A 51 4.485 28.971 26.221 1.00 0.00 C ATOM 833 C LYS A 51 5.682 28.431 25.446 1.00 0.00 C ATOM 834 O LYS A 51 6.301 27.445 25.847 1.00 0.00 O ATOM 835 CB LYS A 51 4.910 30.176 27.063 1.00 0.00 C ATOM 836 CG LYS A 51 3.778 31.148 27.350 1.00 0.00 C ATOM 837 CD LYS A 51 4.297 32.450 27.936 1.00 0.00 C ATOM 838 CE LYS A 51 3.315 33.591 27.714 1.00 0.00 C ATOM 839 NZ LYS A 51 3.862 34.893 28.187 1.00 0.00 N ATOM 0 H LYS A 51 4.570 27.498 27.711 1.00 0.00 H new ATOM 0 HA LYS A 51 3.724 29.285 25.506 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.321 29.821 28.008 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.710 30.706 26.546 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.232 31.354 26.429 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.072 30.691 28.044 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.475 32.324 29.004 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.255 32.699 27.480 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.074 33.662 26.653 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.384 33.376 28.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.164 35.645 28.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.068 34.834 29.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.737 35.111 27.669 1.00 0.00 H new ATOM 853 N PHE A 52 6.005 29.084 24.334 1.00 0.00 N ATOM 854 CA PHE A 52 7.129 28.669 23.503 1.00 0.00 C ATOM 855 C PHE A 52 7.898 29.881 22.985 1.00 0.00 C ATOM 856 O PHE A 52 7.321 30.943 22.749 1.00 0.00 O ATOM 857 CB PHE A 52 6.636 27.823 22.327 1.00 0.00 C ATOM 858 CG PHE A 52 5.855 26.611 22.746 1.00 0.00 C ATOM 859 CD1 PHE A 52 4.524 26.721 23.115 1.00 0.00 C ATOM 860 CD2 PHE A 52 6.452 25.361 22.771 1.00 0.00 C ATOM 861 CE1 PHE A 52 3.804 25.607 23.502 1.00 0.00 C ATOM 862 CE2 PHE A 52 5.737 24.243 23.157 1.00 0.00 C ATOM 863 CZ PHE A 52 4.411 24.366 23.522 1.00 0.00 C ATOM 0 H PHE A 52 5.504 29.902 23.988 1.00 0.00 H new ATOM 0 HA PHE A 52 7.801 28.069 24.117 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.013 28.441 21.681 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.493 27.506 21.734 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.044 27.688 23.100 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.489 25.259 22.485 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.767 25.706 23.789 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.215 23.275 23.173 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.849 23.494 23.823 1.00 0.00 H new ATOM 873 N TYR A 53 9.205 29.714 22.811 1.00 0.00 N ATOM 874 CA TYR A 53 10.055 30.794 22.324 1.00 0.00 C ATOM 875 C TYR A 53 10.337 30.635 20.834 1.00 0.00 C ATOM 876 O TYR A 53 10.942 29.652 20.405 1.00 0.00 O ATOM 877 CB TYR A 53 11.371 30.826 23.103 1.00 0.00 C ATOM 878 CG TYR A 53 12.041 32.181 23.105 1.00 0.00 C ATOM 879 CD1 TYR A 53 11.327 33.331 23.420 1.00 0.00 C ATOM 880 CD2 TYR A 53 13.389 32.312 22.794 1.00 0.00 C ATOM 881 CE1 TYR A 53 11.935 34.571 23.422 1.00 0.00 C ATOM 882 CE2 TYR A 53 14.005 33.548 22.795 1.00 0.00 C ATOM 883 CZ TYR A 53 13.274 34.675 23.109 1.00 0.00 C ATOM 884 OH TYR A 53 13.884 35.908 23.112 1.00 0.00 O ATOM 0 H TYR A 53 9.698 28.841 23.000 1.00 0.00 H new ATOM 0 HA TYR A 53 9.527 31.735 22.477 1.00 0.00 H new ATOM 0 HB2 TYR A 53 11.181 30.522 24.133 1.00 0.00 H new ATOM 0 HB3 TYR A 53 12.055 30.093 22.675 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.279 33.254 23.667 1.00 0.00 H new ATOM 0 HD2 TYR A 53 13.965 31.432 22.547 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.365 35.455 23.667 1.00 0.00 H new ATOM 0 HE2 TYR A 53 15.054 33.632 22.551 1.00 0.00 H new ATOM 0 HH TYR A 53 14.752 35.845 22.662 1.00 0.00 H new ATOM 894 N VAL A 54 9.895 31.612 20.047 1.00 0.00 N ATOM 895 CA VAL A 54 10.100 31.583 18.604 1.00 0.00 C ATOM 896 C VAL A 54 10.969 32.750 18.149 1.00 0.00 C ATOM 897 O VAL A 54 11.026 33.789 18.808 1.00 0.00 O ATOM 898 CB VAL A 54 8.760 31.629 17.845 1.00 0.00 C ATOM 899 CG1 VAL A 54 8.022 30.307 17.984 1.00 0.00 C ATOM 900 CG2 VAL A 54 7.904 32.782 18.347 1.00 0.00 C ATOM 0 H VAL A 54 9.393 32.433 20.385 1.00 0.00 H new ATOM 0 HA VAL A 54 10.606 30.645 18.375 1.00 0.00 H new ATOM 0 HB VAL A 54 8.966 31.793 16.787 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.078 30.358 17.441 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.634 29.504 17.573 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.825 30.110 19.038 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.961 32.800 17.800 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.704 32.651 19.411 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.432 33.722 18.190 1.00 0.00 H new ATOM 910 N HIS A 55 11.646 32.572 17.019 1.00 0.00 N ATOM 911 CA HIS A 55 12.513 33.611 16.475 1.00 0.00 C ATOM 912 C HIS A 55 12.257 33.806 14.984 1.00 0.00 C ATOM 913 O HIS A 55 12.283 32.850 14.209 1.00 0.00 O ATOM 914 CB HIS A 55 13.981 33.255 16.710 1.00 0.00 C ATOM 915 CG HIS A 55 14.927 33.987 15.808 1.00 0.00 C ATOM 916 ND1 HIS A 55 14.795 35.326 15.507 1.00 0.00 N ATOM 917 CD2 HIS A 55 16.024 33.559 15.141 1.00 0.00 C ATOM 918 CE1 HIS A 55 15.770 35.690 14.693 1.00 0.00 C ATOM 919 NE2 HIS A 55 16.530 34.636 14.456 1.00 0.00 N ATOM 0 H HIS A 55 11.611 31.718 16.462 1.00 0.00 H new ATOM 0 HA HIS A 55 12.287 34.545 16.990 1.00 0.00 H new ATOM 0 HB2 HIS A 55 14.238 33.474 17.747 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.113 32.182 16.568 1.00 0.00 H new ATOM 0 HD2 HIS A 55 16.427 32.557 15.146 1.00 0.00 H new ATOM 0 HE1 HIS A 55 15.920 36.681 14.290 1.00 0.00 H new ATOM 0 HE2 HIS A 55 17.358 34.624 13.861 1.00 0.00 H new ATOM 927 N TYR A 56 12.008 35.050 14.589 1.00 0.00 N ATOM 928 CA TYR A 56 11.744 35.370 13.191 1.00 0.00 C ATOM 929 C TYR A 56 13.030 35.331 12.371 1.00 0.00 C ATOM 930 O TYR A 56 13.891 36.202 12.502 1.00 0.00 O ATOM 931 CB TYR A 56 11.094 36.750 13.076 1.00 0.00 C ATOM 932 CG TYR A 56 9.765 36.854 13.790 1.00 0.00 C ATOM 933 CD1 TYR A 56 8.582 36.506 13.151 1.00 0.00 C ATOM 934 CD2 TYR A 56 9.694 37.303 15.103 1.00 0.00 C ATOM 935 CE1 TYR A 56 7.365 36.600 13.800 1.00 0.00 C ATOM 936 CE2 TYR A 56 8.482 37.399 15.760 1.00 0.00 C ATOM 937 CZ TYR A 56 7.321 37.047 15.104 1.00 0.00 C ATOM 938 OH TYR A 56 6.112 37.143 15.754 1.00 0.00 O ATOM 0 H TYR A 56 11.983 35.853 15.217 1.00 0.00 H new ATOM 0 HA TYR A 56 11.060 34.619 12.796 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.775 37.498 13.482 1.00 0.00 H new ATOM 0 HB3 TYR A 56 10.951 36.988 12.022 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.613 36.156 12.130 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.601 37.582 15.619 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.454 36.325 13.289 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.444 37.748 16.781 1.00 0.00 H new ATOM 0 HH TYR A 56 6.256 37.473 16.665 1.00 0.00 H new ATOM 948 N VAL A 57 13.153 34.315 11.523 1.00 0.00 N ATOM 949 CA VAL A 57 14.332 34.162 10.679 1.00 0.00 C ATOM 950 C VAL A 57 14.497 35.355 9.744 1.00 0.00 C ATOM 951 O VAL A 57 15.609 35.688 9.336 1.00 0.00 O ATOM 952 CB VAL A 57 14.258 32.872 9.840 1.00 0.00 C ATOM 953 CG1 VAL A 57 15.512 32.714 8.993 1.00 0.00 C ATOM 954 CG2 VAL A 57 14.057 31.663 10.741 1.00 0.00 C ATOM 0 H VAL A 57 12.450 33.585 11.402 1.00 0.00 H new ATOM 0 HA VAL A 57 15.193 34.104 11.345 1.00 0.00 H new ATOM 0 HB VAL A 57 13.402 32.943 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.442 31.798 8.407 1.00 0.00 H new ATOM 0 HG12 VAL A 57 15.608 33.567 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.386 32.664 9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.007 30.760 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 57 14.892 31.585 11.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.128 31.776 11.300 1.00 0.00 H new ATOM 964 N ASN A 58 13.382 35.995 9.408 1.00 0.00 N ATOM 965 CA ASN A 58 13.402 37.151 8.520 1.00 0.00 C ATOM 966 C ASN A 58 13.984 38.371 9.228 1.00 0.00 C ATOM 967 O ASN A 58 14.500 39.287 8.588 1.00 0.00 O ATOM 968 CB ASN A 58 11.990 37.463 8.021 1.00 0.00 C ATOM 969 CG ASN A 58 11.345 36.276 7.333 1.00 0.00 C ATOM 970 OD1 ASN A 58 10.299 35.788 7.762 1.00 0.00 O ATOM 971 ND2 ASN A 58 11.967 35.805 6.259 1.00 0.00 N ATOM 0 H ASN A 58 12.453 35.732 9.737 1.00 0.00 H new ATOM 0 HA ASN A 58 14.036 36.911 7.667 1.00 0.00 H new ATOM 0 HB2 ASN A 58 11.370 37.773 8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 58 12.030 38.304 7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.580 35.008 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.832 36.240 5.939 1.00 0.00 H new ATOM 978 N TYR A 59 13.898 38.374 10.554 1.00 0.00 N ATOM 979 CA TYR A 59 14.415 39.481 11.350 1.00 0.00 C ATOM 980 C TYR A 59 15.587 39.030 12.216 1.00 0.00 C ATOM 981 O TYR A 59 16.046 37.893 12.114 1.00 0.00 O ATOM 982 CB TYR A 59 13.308 40.062 12.233 1.00 0.00 C ATOM 983 CG TYR A 59 12.155 40.649 11.451 1.00 0.00 C ATOM 984 CD1 TYR A 59 12.283 41.869 10.798 1.00 0.00 C ATOM 985 CD2 TYR A 59 10.938 39.985 11.365 1.00 0.00 C ATOM 986 CE1 TYR A 59 11.232 42.410 10.083 1.00 0.00 C ATOM 987 CE2 TYR A 59 9.882 40.517 10.650 1.00 0.00 C ATOM 988 CZ TYR A 59 10.034 41.730 10.011 1.00 0.00 C ATOM 989 OH TYR A 59 8.984 42.265 9.300 1.00 0.00 O ATOM 0 H TYR A 59 13.476 37.623 11.100 1.00 0.00 H new ATOM 0 HA TYR A 59 14.769 40.252 10.666 1.00 0.00 H new ATOM 0 HB2 TYR A 59 12.929 39.278 12.889 1.00 0.00 H new ATOM 0 HB3 TYR A 59 13.733 40.835 12.873 1.00 0.00 H new ATOM 0 HD1 TYR A 59 13.220 42.403 10.850 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.815 39.036 11.866 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.348 43.360 9.583 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.943 39.986 10.592 1.00 0.00 H new ATOM 0 HH TYR A 59 8.728 41.650 8.581 1.00 0.00 H new ATOM 999 N ASN A 60 16.065 39.929 13.070 1.00 0.00 N ATOM 1000 CA ASN A 60 17.183 39.625 13.954 1.00 0.00 C ATOM 1001 C ASN A 60 16.710 38.862 15.188 1.00 0.00 C ATOM 1002 O ASN A 60 15.509 38.693 15.404 1.00 0.00 O ATOM 1003 CB ASN A 60 17.891 40.914 14.378 1.00 0.00 C ATOM 1004 CG ASN A 60 18.396 41.713 13.193 1.00 0.00 C ATOM 1005 OD1 ASN A 60 19.385 41.346 12.559 1.00 0.00 O ATOM 1006 ND2 ASN A 60 17.717 42.813 12.888 1.00 0.00 N ATOM 0 H ASN A 60 15.695 40.874 13.168 1.00 0.00 H new ATOM 0 HA ASN A 60 17.885 38.996 13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.204 41.528 14.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 18.729 40.667 15.030 1.00 0.00 H new ATOM 0 HD21 ASN A 60 18.010 43.391 12.100 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.903 43.079 13.441 1.00 0.00 H new ATOM 1013 N LYS A 61 17.661 38.403 15.994 1.00 0.00 N ATOM 1014 CA LYS A 61 17.343 37.660 17.208 1.00 0.00 C ATOM 1015 C LYS A 61 16.632 38.551 18.221 1.00 0.00 C ATOM 1016 O LYS A 61 16.069 38.065 19.202 1.00 0.00 O ATOM 1017 CB LYS A 61 18.618 37.083 17.826 1.00 0.00 C ATOM 1018 CG LYS A 61 19.269 36.003 16.980 1.00 0.00 C ATOM 1019 CD LYS A 61 20.186 35.121 17.811 1.00 0.00 C ATOM 1020 CE LYS A 61 20.268 33.712 17.243 1.00 0.00 C ATOM 1021 NZ LYS A 61 21.111 33.657 16.017 1.00 0.00 N ATOM 0 H LYS A 61 18.659 38.532 15.829 1.00 0.00 H new ATOM 0 HA LYS A 61 16.675 36.842 16.939 1.00 0.00 H new ATOM 0 HB2 LYS A 61 19.333 37.890 17.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 18.382 36.671 18.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 18.497 35.390 16.514 1.00 0.00 H new ATOM 0 HG3 LYS A 61 19.839 36.465 16.174 1.00 0.00 H new ATOM 0 HD2 LYS A 61 21.183 35.560 17.844 1.00 0.00 H new ATOM 0 HD3 LYS A 61 19.822 35.080 18.837 1.00 0.00 H new ATOM 0 HE2 LYS A 61 20.679 33.040 17.997 1.00 0.00 H new ATOM 0 HE3 LYS A 61 19.265 33.355 17.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 21.142 32.681 15.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 20.705 34.279 15.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 22.075 33.973 16.244 1.00 0.00 H new ATOM 1035 N ARG A 62 16.661 39.857 17.977 1.00 0.00 N ATOM 1036 CA ARG A 62 16.019 40.816 18.868 1.00 0.00 C ATOM 1037 C ARG A 62 14.518 40.885 18.601 1.00 0.00 C ATOM 1038 O ARG A 62 13.795 41.640 19.253 1.00 0.00 O ATOM 1039 CB ARG A 62 16.643 42.202 18.696 1.00 0.00 C ATOM 1040 CG ARG A 62 16.377 42.825 17.335 1.00 0.00 C ATOM 1041 CD ARG A 62 15.411 43.994 17.437 1.00 0.00 C ATOM 1042 NE ARG A 62 15.996 45.128 18.147 1.00 0.00 N ATOM 1043 CZ ARG A 62 15.295 46.178 18.561 1.00 0.00 C ATOM 1044 NH1 ARG A 62 13.990 46.238 18.335 1.00 0.00 N ATOM 1045 NH2 ARG A 62 15.899 47.170 19.201 1.00 0.00 N ATOM 0 H ARG A 62 17.122 40.275 17.169 1.00 0.00 H new ATOM 0 HA ARG A 62 16.173 40.481 19.894 1.00 0.00 H new ATOM 0 HB2 ARG A 62 16.256 42.864 19.471 1.00 0.00 H new ATOM 0 HB3 ARG A 62 17.720 42.128 18.848 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.317 43.165 16.899 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.968 42.071 16.662 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.114 44.307 16.436 1.00 0.00 H new ATOM 0 HD3 ARG A 62 14.506 43.672 17.952 1.00 0.00 H new ATOM 0 HE ARG A 62 16.998 45.113 18.336 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.522 45.477 17.842 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.454 47.045 18.654 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.903 47.128 19.376 1.00 0.00 H new ATOM 0 HH22 ARG A 62 15.360 47.975 19.518 1.00 0.00 H new ATOM 1059 N LEU A 63 14.056 40.094 17.640 1.00 0.00 N ATOM 1060 CA LEU A 63 12.641 40.066 17.286 1.00 0.00 C ATOM 1061 C LEU A 63 11.940 38.879 17.940 1.00 0.00 C ATOM 1062 O LEU A 63 10.724 38.894 18.135 1.00 0.00 O ATOM 1063 CB LEU A 63 12.476 39.996 15.767 1.00 0.00 C ATOM 1064 CG LEU A 63 11.879 41.235 15.099 1.00 0.00 C ATOM 1065 CD1 LEU A 63 10.539 41.587 15.727 1.00 0.00 C ATOM 1066 CD2 LEU A 63 12.841 42.410 15.199 1.00 0.00 C ATOM 0 H LEU A 63 14.640 39.463 17.091 1.00 0.00 H new ATOM 0 HA LEU A 63 12.182 40.984 17.653 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.453 39.804 15.324 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.845 39.140 15.529 1.00 0.00 H new ATOM 0 HG LEU A 63 11.716 41.013 14.044 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.129 42.471 15.239 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.849 40.752 15.604 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.677 41.790 16.789 1.00 0.00 H new ATOM 0 HD21 LEU A 63 12.400 43.283 14.718 1.00 0.00 H new ATOM 0 HD22 LEU A 63 13.036 42.633 16.248 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.778 42.157 14.702 1.00 0.00 H new ATOM 1078 N ASP A 64 12.714 37.854 18.277 1.00 0.00 N ATOM 1079 CA ASP A 64 12.168 36.660 18.912 1.00 0.00 C ATOM 1080 C ASP A 64 11.331 37.029 20.133 1.00 0.00 C ATOM 1081 O ASP A 64 11.438 38.136 20.659 1.00 0.00 O ATOM 1082 CB ASP A 64 13.297 35.712 19.321 1.00 0.00 C ATOM 1083 CG ASP A 64 14.215 36.320 20.363 1.00 0.00 C ATOM 1084 OD1 ASP A 64 14.025 37.507 20.702 1.00 0.00 O ATOM 1085 OD2 ASP A 64 15.123 35.609 20.841 1.00 0.00 O ATOM 0 H ASP A 64 13.722 37.825 18.121 1.00 0.00 H new ATOM 0 HA ASP A 64 11.525 36.157 18.190 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.869 34.789 19.712 1.00 0.00 H new ATOM 0 HB3 ASP A 64 13.880 35.444 18.440 1.00 0.00 H new ATOM 1090 N GLU A 65 10.496 36.094 20.576 1.00 0.00 N ATOM 1091 CA GLU A 65 9.639 36.322 21.733 1.00 0.00 C ATOM 1092 C GLU A 65 8.953 35.029 22.166 1.00 0.00 C ATOM 1093 O GLU A 65 9.128 33.983 21.542 1.00 0.00 O ATOM 1094 CB GLU A 65 8.589 37.388 21.415 1.00 0.00 C ATOM 1095 CG GLU A 65 7.727 37.053 20.210 1.00 0.00 C ATOM 1096 CD GLU A 65 6.452 37.873 20.158 1.00 0.00 C ATOM 1097 OE1 GLU A 65 5.559 37.634 20.998 1.00 0.00 O ATOM 1098 OE2 GLU A 65 6.347 38.753 19.278 1.00 0.00 O ATOM 0 H GLU A 65 10.395 35.172 20.151 1.00 0.00 H new ATOM 0 HA GLU A 65 10.265 36.672 22.553 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.946 37.523 22.285 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.091 38.339 21.239 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.301 37.223 19.299 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.472 35.993 20.234 1.00 0.00 H new ATOM 1105 N TRP A 66 8.172 35.111 23.237 1.00 0.00 N ATOM 1106 CA TRP A 66 7.459 33.948 23.753 1.00 0.00 C ATOM 1107 C TRP A 66 6.002 33.958 23.303 1.00 0.00 C ATOM 1108 O TRP A 66 5.190 34.727 23.818 1.00 0.00 O ATOM 1109 CB TRP A 66 7.534 33.916 25.281 1.00 0.00 C ATOM 1110 CG TRP A 66 8.935 33.828 25.805 1.00 0.00 C ATOM 1111 CD1 TRP A 66 9.808 34.863 25.990 1.00 0.00 C ATOM 1112 CD2 TRP A 66 9.626 32.641 26.210 1.00 0.00 C ATOM 1113 NE1 TRP A 66 10.999 34.390 26.485 1.00 0.00 N ATOM 1114 CE2 TRP A 66 10.913 33.031 26.630 1.00 0.00 C ATOM 1115 CE3 TRP A 66 9.282 31.288 26.261 1.00 0.00 C ATOM 1116 CZ2 TRP A 66 11.854 32.115 27.093 1.00 0.00 C ATOM 1117 CZ3 TRP A 66 10.217 30.380 26.720 1.00 0.00 C ATOM 1118 CH2 TRP A 66 11.490 30.796 27.132 1.00 0.00 C ATOM 0 H TRP A 66 8.016 35.970 23.765 1.00 0.00 H new ATOM 0 HA TRP A 66 7.936 33.053 23.353 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.060 34.813 25.680 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.962 33.064 25.648 1.00 0.00 H new ATOM 0 HD1 TRP A 66 9.593 35.900 25.778 1.00 0.00 H new ATOM 0 HE1 TRP A 66 11.815 34.959 26.708 1.00 0.00 H new ATOM 0 HE3 TRP A 66 8.303 30.958 25.947 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.836 32.434 27.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 9.962 29.331 26.762 1.00 0.00 H new ATOM 0 HH2 TRP A 66 12.198 30.062 27.487 1.00 0.00 H new ATOM 1129 N ILE A 67 5.679 33.100 22.342 1.00 0.00 N ATOM 1130 CA ILE A 67 4.319 33.011 21.825 1.00 0.00 C ATOM 1131 C ILE A 67 3.579 31.822 22.428 1.00 0.00 C ATOM 1132 O ILE A 67 4.196 30.868 22.904 1.00 0.00 O ATOM 1133 CB ILE A 67 4.307 32.883 20.290 1.00 0.00 C ATOM 1134 CG1 ILE A 67 5.060 31.624 19.855 1.00 0.00 C ATOM 1135 CG2 ILE A 67 4.921 34.120 19.651 1.00 0.00 C ATOM 1136 CD1 ILE A 67 4.807 31.235 18.415 1.00 0.00 C ATOM 0 H ILE A 67 6.340 32.457 21.906 1.00 0.00 H new ATOM 0 HA ILE A 67 3.813 33.934 22.109 1.00 0.00 H new ATOM 0 HB ILE A 67 3.273 32.799 19.955 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.129 31.782 19.997 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.771 30.796 20.503 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.906 34.015 18.566 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.347 35.001 19.938 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.951 34.231 19.990 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.373 30.334 18.177 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.744 31.044 18.271 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.122 32.046 17.758 1.00 0.00 H new ATOM 1148 N THR A 68 2.251 31.884 22.403 1.00 0.00 N ATOM 1149 CA THR A 68 1.426 30.813 22.947 1.00 0.00 C ATOM 1150 C THR A 68 0.812 29.972 21.833 1.00 0.00 C ATOM 1151 O THR A 68 0.977 30.273 20.650 1.00 0.00 O ATOM 1152 CB THR A 68 0.297 31.369 23.836 1.00 0.00 C ATOM 1153 OG1 THR A 68 -0.174 32.614 23.307 1.00 0.00 O ATOM 1154 CG2 THR A 68 0.782 31.569 25.264 1.00 0.00 C ATOM 0 H THR A 68 1.724 32.665 22.012 1.00 0.00 H new ATOM 0 HA THR A 68 2.081 30.187 23.553 1.00 0.00 H new ATOM 0 HB THR A 68 -0.519 30.647 23.845 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.893 32.960 23.876 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.032 31.962 25.873 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.113 30.614 25.673 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.613 32.274 25.271 1.00 0.00 H new ATOM 1162 N THR A 69 0.103 28.915 22.217 1.00 0.00 N ATOM 1163 CA THR A 69 -0.535 28.031 21.251 1.00 0.00 C ATOM 1164 C THR A 69 -1.450 28.809 20.312 1.00 0.00 C ATOM 1165 O THR A 69 -1.469 28.566 19.106 1.00 0.00 O ATOM 1166 CB THR A 69 -1.354 26.930 21.952 1.00 0.00 C ATOM 1167 OG1 THR A 69 -2.514 27.501 22.568 1.00 0.00 O ATOM 1168 CG2 THR A 69 -0.516 26.217 23.001 1.00 0.00 C ATOM 0 H THR A 69 -0.044 28.651 23.191 1.00 0.00 H new ATOM 0 HA THR A 69 0.264 27.567 20.673 1.00 0.00 H new ATOM 0 HB THR A 69 -1.662 26.203 21.201 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.031 26.795 23.010 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.116 25.444 23.482 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.351 25.759 22.525 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.182 26.935 23.749 1.00 0.00 H new ATOM 1176 N ASP A 70 -2.206 29.746 20.873 1.00 0.00 N ATOM 1177 CA ASP A 70 -3.122 30.563 20.085 1.00 0.00 C ATOM 1178 C ASP A 70 -2.355 31.471 19.129 1.00 0.00 C ATOM 1179 O ASP A 70 -2.933 32.047 18.207 1.00 0.00 O ATOM 1180 CB ASP A 70 -4.009 31.404 21.005 1.00 0.00 C ATOM 1181 CG ASP A 70 -5.171 30.611 21.571 1.00 0.00 C ATOM 1182 OD1 ASP A 70 -4.949 29.461 22.004 1.00 0.00 O ATOM 1183 OD2 ASP A 70 -6.302 31.141 21.581 1.00 0.00 O ATOM 0 H ASP A 70 -2.203 29.959 21.871 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.751 29.895 19.497 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.408 31.797 21.825 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.393 32.261 20.451 1.00 0.00 H new ATOM 1188 N ARG A 71 -1.051 31.593 19.354 1.00 0.00 N ATOM 1189 CA ARG A 71 -0.206 32.432 18.514 1.00 0.00 C ATOM 1190 C ARG A 71 0.550 31.590 17.490 1.00 0.00 C ATOM 1191 O ARG A 71 1.317 32.117 16.683 1.00 0.00 O ATOM 1192 CB ARG A 71 0.785 33.218 19.374 1.00 0.00 C ATOM 1193 CG ARG A 71 0.131 34.287 20.235 1.00 0.00 C ATOM 1194 CD ARG A 71 1.103 35.408 20.566 1.00 0.00 C ATOM 1195 NE ARG A 71 0.417 36.600 21.057 1.00 0.00 N ATOM 1196 CZ ARG A 71 1.048 37.690 21.478 1.00 0.00 C ATOM 1197 NH1 ARG A 71 2.373 37.739 21.468 1.00 0.00 N ATOM 1198 NH2 ARG A 71 0.354 38.735 21.911 1.00 0.00 N ATOM 0 H ARG A 71 -0.557 31.121 20.111 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.849 33.132 17.980 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.324 32.524 20.019 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.523 33.688 18.724 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -0.734 34.696 19.714 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -0.236 33.838 21.158 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.812 35.062 21.318 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.680 35.662 19.677 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.603 36.595 21.078 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.910 36.938 21.136 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.855 38.578 21.792 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -0.665 38.702 21.921 1.00 0.00 H new ATOM 0 HH22 ARG A 71 0.840 39.572 22.234 1.00 0.00 H new ATOM 1212 N ILE A 72 0.328 30.281 17.529 1.00 0.00 N ATOM 1213 CA ILE A 72 0.987 29.367 16.604 1.00 0.00 C ATOM 1214 C ILE A 72 0.061 28.985 15.455 1.00 0.00 C ATOM 1215 O ILE A 72 -1.144 28.822 15.643 1.00 0.00 O ATOM 1216 CB ILE A 72 1.457 28.086 17.318 1.00 0.00 C ATOM 1217 CG1 ILE A 72 2.451 28.430 18.429 1.00 0.00 C ATOM 1218 CG2 ILE A 72 2.081 27.122 16.320 1.00 0.00 C ATOM 1219 CD1 ILE A 72 2.555 27.365 19.498 1.00 0.00 C ATOM 0 H ILE A 72 -0.303 29.829 18.191 1.00 0.00 H new ATOM 0 HA ILE A 72 1.856 29.892 16.207 1.00 0.00 H new ATOM 0 HB ILE A 72 0.591 27.601 17.769 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.435 28.588 17.988 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.154 29.371 18.893 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.408 26.222 16.840 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.344 26.856 15.562 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.938 27.597 15.842 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.277 27.676 20.253 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.581 27.222 19.965 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.882 26.428 19.047 1.00 0.00 H new ATOM 1231 N ASN A 73 0.633 28.842 14.263 1.00 0.00 N ATOM 1232 CA ASN A 73 -0.141 28.478 13.083 1.00 0.00 C ATOM 1233 C ASN A 73 -0.002 26.989 12.779 1.00 0.00 C ATOM 1234 O ASN A 73 1.033 26.540 12.284 1.00 0.00 O ATOM 1235 CB ASN A 73 0.313 29.301 11.875 1.00 0.00 C ATOM 1236 CG ASN A 73 -0.812 29.547 10.888 1.00 0.00 C ATOM 1237 OD1 ASN A 73 -0.691 28.970 9.698 1.00 0.00 O flip ATOM 1238 ND2 ASN A 73 -1.777 30.248 11.192 1.00 0.00 N flip ATOM 0 H ASN A 73 1.630 28.973 14.090 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.190 28.693 13.287 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.708 30.257 12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.128 28.782 11.371 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.828 30.672 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.526 30.405 10.517 1.00 0.00 H new ATOM 1245 N LEU A 74 -1.050 26.229 13.077 1.00 0.00 N ATOM 1246 CA LEU A 74 -1.045 24.791 12.835 1.00 0.00 C ATOM 1247 C LEU A 74 -1.679 24.463 11.487 1.00 0.00 C ATOM 1248 O LEU A 74 -2.136 23.342 11.261 1.00 0.00 O ATOM 1249 CB LEU A 74 -1.794 24.064 13.954 1.00 0.00 C ATOM 1250 CG LEU A 74 -1.160 24.137 15.344 1.00 0.00 C ATOM 1251 CD1 LEU A 74 -2.125 23.619 16.399 1.00 0.00 C ATOM 1252 CD2 LEU A 74 0.143 23.351 15.378 1.00 0.00 C ATOM 0 H LEU A 74 -1.914 26.585 13.487 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.009 24.453 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.802 24.473 14.015 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.892 23.015 13.676 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.937 25.181 15.566 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.656 23.679 17.381 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.031 24.225 16.392 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.380 22.582 16.181 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.580 23.414 16.375 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.055 22.307 15.134 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.839 23.768 14.650 1.00 0.00 H new ATOM 1264 N ASP A 75 -1.702 25.447 10.596 1.00 0.00 N ATOM 1265 CA ASP A 75 -2.277 25.263 9.268 1.00 0.00 C ATOM 1266 C ASP A 75 -1.184 25.017 8.232 1.00 0.00 C ATOM 1267 O ASP A 75 -1.431 24.421 7.183 1.00 0.00 O ATOM 1268 CB ASP A 75 -3.105 26.486 8.873 1.00 0.00 C ATOM 1269 CG ASP A 75 -4.195 26.150 7.873 1.00 0.00 C ATOM 1270 OD1 ASP A 75 -3.861 25.881 6.700 1.00 0.00 O ATOM 1271 OD2 ASP A 75 -5.380 26.155 8.265 1.00 0.00 O ATOM 0 H ASP A 75 -1.329 26.381 10.768 1.00 0.00 H new ATOM 0 HA ASP A 75 -2.927 24.389 9.299 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -3.556 26.919 9.766 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.447 27.244 8.448 1.00 0.00 H new ATOM 1276 N LYS A 76 0.024 25.481 8.533 1.00 0.00 N ATOM 1277 CA LYS A 76 1.156 25.312 7.629 1.00 0.00 C ATOM 1278 C LYS A 76 2.037 24.148 8.073 1.00 0.00 C ATOM 1279 O LYS A 76 2.213 23.912 9.267 1.00 0.00 O ATOM 1280 CB LYS A 76 1.982 26.598 7.568 1.00 0.00 C ATOM 1281 CG LYS A 76 1.540 27.555 6.475 1.00 0.00 C ATOM 1282 CD LYS A 76 0.816 28.761 7.049 1.00 0.00 C ATOM 1283 CE LYS A 76 0.764 29.907 6.050 1.00 0.00 C ATOM 1284 NZ LYS A 76 -0.174 29.623 4.929 1.00 0.00 N ATOM 0 H LYS A 76 0.245 25.977 9.396 1.00 0.00 H new ATOM 0 HA LYS A 76 0.767 25.091 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.920 27.106 8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.029 26.340 7.411 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.409 27.887 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.884 27.034 5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.198 28.477 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.320 29.091 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.455 30.820 6.560 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.762 30.087 5.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.181 30.428 4.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.135 28.766 4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.132 29.476 5.307 1.00 0.00 H new ATOM 1298 N GLU A 77 2.590 23.427 7.102 1.00 0.00 N ATOM 1299 CA GLU A 77 3.454 22.289 7.394 1.00 0.00 C ATOM 1300 C GLU A 77 4.598 22.698 8.318 1.00 0.00 C ATOM 1301 O GLU A 77 5.088 23.826 8.256 1.00 0.00 O ATOM 1302 CB GLU A 77 4.015 21.701 6.098 1.00 0.00 C ATOM 1303 CG GLU A 77 2.943 21.259 5.116 1.00 0.00 C ATOM 1304 CD GLU A 77 3.407 20.133 4.213 1.00 0.00 C ATOM 1305 OE1 GLU A 77 4.271 20.385 3.347 1.00 0.00 O ATOM 1306 OE2 GLU A 77 2.907 19.000 4.372 1.00 0.00 O ATOM 0 H GLU A 77 2.455 23.611 6.108 1.00 0.00 H new ATOM 0 HA GLU A 77 2.856 21.531 7.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.652 22.444 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.648 20.847 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.060 20.936 5.668 1.00 0.00 H new ATOM 0 HG3 GLU A 77 2.643 22.110 4.504 1.00 0.00 H new ATOM 1313 N VAL A 78 5.019 21.773 9.174 1.00 0.00 N ATOM 1314 CA VAL A 78 6.105 22.035 10.110 1.00 0.00 C ATOM 1315 C VAL A 78 7.419 21.451 9.605 1.00 0.00 C ATOM 1316 O VAL A 78 7.434 20.420 8.931 1.00 0.00 O ATOM 1317 CB VAL A 78 5.799 21.453 11.503 1.00 0.00 C ATOM 1318 CG1 VAL A 78 6.879 21.851 12.498 1.00 0.00 C ATOM 1319 CG2 VAL A 78 4.428 21.908 11.981 1.00 0.00 C ATOM 0 H VAL A 78 4.624 20.835 9.239 1.00 0.00 H new ATOM 0 HA VAL A 78 6.199 23.118 10.190 1.00 0.00 H new ATOM 0 HB VAL A 78 5.790 20.366 11.429 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.645 21.431 13.476 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.843 21.470 12.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.924 22.938 12.571 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.228 21.488 12.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.406 22.996 12.039 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.666 21.567 11.280 1.00 0.00 H new ATOM 1329 N LEU A 79 8.521 22.115 9.935 1.00 0.00 N ATOM 1330 CA LEU A 79 9.843 21.661 9.515 1.00 0.00 C ATOM 1331 C LEU A 79 10.604 21.046 10.685 1.00 0.00 C ATOM 1332 O LEU A 79 10.625 21.599 11.785 1.00 0.00 O ATOM 1333 CB LEU A 79 10.641 22.826 8.928 1.00 0.00 C ATOM 1334 CG LEU A 79 10.972 22.730 7.438 1.00 0.00 C ATOM 1335 CD1 LEU A 79 9.743 23.039 6.598 1.00 0.00 C ATOM 1336 CD2 LEU A 79 12.113 23.672 7.084 1.00 0.00 C ATOM 0 H LEU A 79 8.526 22.969 10.492 1.00 0.00 H new ATOM 0 HA LEU A 79 9.712 20.897 8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.081 23.746 9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.575 22.916 9.482 1.00 0.00 H new ATOM 0 HG LEU A 79 11.289 21.710 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.997 22.966 5.541 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.954 22.325 6.832 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.396 24.048 6.819 1.00 0.00 H new ATOM 0 HD21 LEU A 79 12.335 23.591 6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.824 24.697 7.317 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.998 23.404 7.661 1.00 0.00 H new ATOM 1348 N TYR A 80 11.231 19.901 10.440 1.00 0.00 N ATOM 1349 CA TYR A 80 11.994 19.211 11.473 1.00 0.00 C ATOM 1350 C TYR A 80 13.465 19.103 11.083 1.00 0.00 C ATOM 1351 O TYR A 80 13.833 19.210 9.913 1.00 0.00 O ATOM 1352 CB TYR A 80 11.416 17.816 11.717 1.00 0.00 C ATOM 1353 CG TYR A 80 10.249 17.803 12.678 1.00 0.00 C ATOM 1354 CD1 TYR A 80 8.953 18.030 12.230 1.00 0.00 C ATOM 1355 CD2 TYR A 80 10.442 17.566 14.033 1.00 0.00 C ATOM 1356 CE1 TYR A 80 7.883 18.020 13.105 1.00 0.00 C ATOM 1357 CE2 TYR A 80 9.378 17.554 14.914 1.00 0.00 C ATOM 1358 CZ TYR A 80 8.101 17.781 14.446 1.00 0.00 C ATOM 1359 OH TYR A 80 7.039 17.771 15.321 1.00 0.00 O ATOM 0 H TYR A 80 11.226 19.431 9.535 1.00 0.00 H new ATOM 0 HA TYR A 80 11.922 19.793 12.392 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.096 17.393 10.765 1.00 0.00 H new ATOM 0 HB3 TYR A 80 12.203 17.169 12.105 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.779 18.217 11.181 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.441 17.388 14.404 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.882 18.198 12.741 1.00 0.00 H new ATOM 0 HE2 TYR A 80 9.546 17.368 15.965 1.00 0.00 H new ATOM 0 HH TYR A 80 7.171 18.462 16.003 1.00 0.00 H new ATOM 1369 N PRO A 81 14.327 18.885 12.086 1.00 0.00 N ATOM 1370 CA PRO A 81 15.772 18.756 11.875 1.00 0.00 C ATOM 1371 C PRO A 81 16.139 17.466 11.149 1.00 0.00 C ATOM 1372 O PRO A 81 15.436 16.461 11.254 1.00 0.00 O ATOM 1373 CB PRO A 81 16.340 18.750 13.296 1.00 0.00 C ATOM 1374 CG PRO A 81 15.224 18.250 14.147 1.00 0.00 C ATOM 1375 CD PRO A 81 13.959 18.747 13.505 1.00 0.00 C ATOM 0 HA PRO A 81 16.165 19.557 11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 81 17.215 18.104 13.370 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.654 19.748 13.601 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.232 17.161 14.201 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.315 18.621 15.168 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.137 18.044 13.640 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.639 19.698 13.931 1.00 0.00 H new ATOM 1383 N LYS A 82 17.245 17.501 10.413 1.00 0.00 N ATOM 1384 CA LYS A 82 17.707 16.335 9.670 1.00 0.00 C ATOM 1385 C LYS A 82 19.162 16.019 10.003 1.00 0.00 C ATOM 1386 O LYS A 82 20.061 16.808 9.712 1.00 0.00 O ATOM 1387 CB LYS A 82 17.557 16.570 8.165 1.00 0.00 C ATOM 1388 CG LYS A 82 17.739 15.313 7.332 1.00 0.00 C ATOM 1389 CD LYS A 82 16.422 14.582 7.130 1.00 0.00 C ATOM 1390 CE LYS A 82 16.597 13.350 6.255 1.00 0.00 C ATOM 1391 NZ LYS A 82 17.103 13.701 4.899 1.00 0.00 N ATOM 0 H LYS A 82 17.838 18.325 10.315 1.00 0.00 H new ATOM 0 HA LYS A 82 17.092 15.483 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.569 16.987 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 82 18.287 17.315 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 82 18.163 15.576 6.363 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.452 14.651 7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 82 16.016 14.288 8.098 1.00 0.00 H new ATOM 0 HD3 LYS A 82 15.698 15.255 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.291 12.660 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 82 15.643 12.831 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 17.129 12.847 4.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 16.473 14.405 4.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 18.062 14.096 4.978 1.00 0.00 H new ATOM 1405 N LEU A 83 19.386 14.861 10.614 1.00 0.00 N ATOM 1406 CA LEU A 83 20.733 14.440 10.985 1.00 0.00 C ATOM 1407 C LEU A 83 20.985 12.994 10.569 1.00 0.00 C ATOM 1408 O LEU A 83 20.056 12.191 10.477 1.00 0.00 O ATOM 1409 CB LEU A 83 20.938 14.592 12.493 1.00 0.00 C ATOM 1410 CG LEU A 83 20.760 16.002 13.056 1.00 0.00 C ATOM 1411 CD1 LEU A 83 20.349 15.946 14.519 1.00 0.00 C ATOM 1412 CD2 LEU A 83 22.041 16.808 12.890 1.00 0.00 C ATOM 0 H LEU A 83 18.653 14.197 10.863 1.00 0.00 H new ATOM 0 HA LEU A 83 21.445 15.079 10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 83 20.240 13.928 13.003 1.00 0.00 H new ATOM 0 HB3 LEU A 83 21.943 14.248 12.739 1.00 0.00 H new ATOM 0 HG LEU A 83 19.967 16.498 12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.227 16.959 14.902 1.00 0.00 H new ATOM 0 HD12 LEU A 83 19.406 15.407 14.612 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.119 15.431 15.094 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.896 17.809 13.296 1.00 0.00 H new ATOM 0 HD22 LEU A 83 22.853 16.314 13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 83 22.292 16.879 11.832 1.00 0.00 H new ATOM 1424 N LYS A 84 22.249 12.667 10.321 1.00 0.00 N ATOM 1425 CA LYS A 84 22.626 11.318 9.919 1.00 0.00 C ATOM 1426 C LYS A 84 22.892 10.440 11.138 1.00 0.00 C ATOM 1427 O LYS A 84 23.985 10.460 11.703 1.00 0.00 O ATOM 1428 CB LYS A 84 23.869 11.358 9.026 1.00 0.00 C ATOM 1429 CG LYS A 84 23.930 10.224 8.018 1.00 0.00 C ATOM 1430 CD LYS A 84 24.583 8.986 8.610 1.00 0.00 C ATOM 1431 CE LYS A 84 26.092 9.009 8.425 1.00 0.00 C ATOM 1432 NZ LYS A 84 26.491 8.558 7.063 1.00 0.00 N ATOM 0 H LYS A 84 23.030 13.319 10.392 1.00 0.00 H new ATOM 0 HA LYS A 84 21.796 10.889 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 84 23.893 12.308 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 84 24.759 11.323 9.654 1.00 0.00 H new ATOM 0 HG2 LYS A 84 22.922 9.980 7.682 1.00 0.00 H new ATOM 0 HG3 LYS A 84 24.489 10.547 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 84 24.347 8.921 9.672 1.00 0.00 H new ATOM 0 HD3 LYS A 84 24.171 8.095 8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 84 26.463 10.019 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 84 26.559 8.367 9.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 27.527 8.588 6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 26.159 7.585 6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 26.066 9.186 6.351 1.00 0.00 H new ATOM 1446 N ALA A 85 21.885 9.671 11.538 1.00 0.00 N ATOM 1447 CA ALA A 85 22.011 8.784 12.688 1.00 0.00 C ATOM 1448 C ALA A 85 23.228 7.876 12.550 1.00 0.00 C ATOM 1449 O ALA A 85 23.612 7.497 11.443 1.00 0.00 O ATOM 1450 CB ALA A 85 20.747 7.954 12.856 1.00 0.00 C ATOM 0 H ALA A 85 20.973 9.644 11.083 1.00 0.00 H new ATOM 0 HA ALA A 85 22.149 9.400 13.577 1.00 0.00 H new ATOM 0 HB1 ALA A 85 20.856 7.296 13.718 1.00 0.00 H new ATOM 0 HB2 ALA A 85 19.895 8.616 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 85 20.584 7.354 11.961 1.00 0.00 H new ATOM 1456 N THR A 86 23.834 7.530 13.682 1.00 0.00 N ATOM 1457 CA THR A 86 25.009 6.668 13.687 1.00 0.00 C ATOM 1458 C THR A 86 24.672 5.281 14.224 1.00 0.00 C ATOM 1459 O THR A 86 23.885 5.142 15.160 1.00 0.00 O ATOM 1460 CB THR A 86 26.145 7.271 14.534 1.00 0.00 C ATOM 1461 OG1 THR A 86 25.697 7.476 15.879 1.00 0.00 O ATOM 1462 CG2 THR A 86 26.617 8.592 13.945 1.00 0.00 C ATOM 0 H THR A 86 23.530 7.834 14.607 1.00 0.00 H new ATOM 0 HA THR A 86 25.342 6.583 12.653 1.00 0.00 H new ATOM 0 HB THR A 86 26.981 6.571 14.532 1.00 0.00 H new ATOM 0 HG1 THR A 86 26.425 7.858 16.412 1.00 0.00 H new ATOM 0 HG21 THR A 86 27.420 8.999 14.560 1.00 0.00 H new ATOM 0 HG22 THR A 86 26.984 8.428 12.932 1.00 0.00 H new ATOM 0 HG23 THR A 86 25.786 9.297 13.920 1.00 0.00 H new ATOM 1470 N ASP A 87 25.272 4.258 13.625 1.00 0.00 N ATOM 1471 CA ASP A 87 25.036 2.882 14.045 1.00 0.00 C ATOM 1472 C ASP A 87 26.194 2.367 14.895 1.00 0.00 C ATOM 1473 O ASP A 87 26.690 1.262 14.680 1.00 0.00 O ATOM 1474 CB ASP A 87 24.843 1.980 12.825 1.00 0.00 C ATOM 1475 CG ASP A 87 25.911 2.196 11.771 1.00 0.00 C ATOM 1476 OD1 ASP A 87 27.067 2.483 12.147 1.00 0.00 O ATOM 1477 OD2 ASP A 87 25.591 2.076 10.570 1.00 0.00 O ATOM 0 H ASP A 87 25.925 4.356 12.848 1.00 0.00 H new ATOM 0 HA ASP A 87 24.129 2.863 14.649 1.00 0.00 H new ATOM 0 HB2 ASP A 87 24.855 0.937 13.142 1.00 0.00 H new ATOM 0 HB3 ASP A 87 23.862 2.169 12.388 1.00 0.00 H new ATOM 1482 N GLU A 88 26.619 3.177 15.860 1.00 0.00 N ATOM 1483 CA GLU A 88 27.719 2.803 16.741 1.00 0.00 C ATOM 1484 C GLU A 88 27.281 2.836 18.202 1.00 0.00 C ATOM 1485 O GLU A 88 27.320 3.883 18.849 1.00 0.00 O ATOM 1486 CB GLU A 88 28.910 3.741 16.532 1.00 0.00 C ATOM 1487 CG GLU A 88 29.699 3.451 15.266 1.00 0.00 C ATOM 1488 CD GLU A 88 30.746 4.508 14.976 1.00 0.00 C ATOM 1489 OE1 GLU A 88 30.528 5.679 15.351 1.00 0.00 O ATOM 1490 OE2 GLU A 88 31.785 4.163 14.375 1.00 0.00 O ATOM 0 H GLU A 88 26.219 4.095 16.051 1.00 0.00 H new ATOM 0 HA GLU A 88 28.020 1.785 16.493 1.00 0.00 H new ATOM 0 HB2 GLU A 88 28.550 4.769 16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 88 29.577 3.665 17.391 1.00 0.00 H new ATOM 0 HG2 GLU A 88 30.185 2.480 15.360 1.00 0.00 H new ATOM 0 HG3 GLU A 88 29.013 3.384 14.422 1.00 0.00 H new ATOM 1497 N ASP A 89 26.865 1.684 18.715 1.00 0.00 N ATOM 1498 CA ASP A 89 26.420 1.579 20.100 1.00 0.00 C ATOM 1499 C ASP A 89 27.470 0.877 20.956 1.00 0.00 C ATOM 1500 O ASP A 89 27.642 1.200 22.132 1.00 0.00 O ATOM 1501 CB ASP A 89 25.093 0.823 20.176 1.00 0.00 C ATOM 1502 CG ASP A 89 23.898 1.727 19.946 1.00 0.00 C ATOM 1503 OD1 ASP A 89 23.969 2.913 20.328 1.00 0.00 O ATOM 1504 OD2 ASP A 89 22.891 1.247 19.384 1.00 0.00 O ATOM 0 H ASP A 89 26.826 0.809 18.193 1.00 0.00 H new ATOM 0 HA ASP A 89 26.277 2.588 20.487 1.00 0.00 H new ATOM 0 HB2 ASP A 89 25.090 0.025 19.433 1.00 0.00 H new ATOM 0 HB3 ASP A 89 25.004 0.349 21.153 1.00 0.00 H new TER 1509 ASP A 89