USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 696 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 27 ASN : amide:sc= -0.0131 K(o=-0.027,f=-2.2!) USER MOD Set 1.2: A 40 MET CE :methyl 178:sc= -0.0141 (180deg=-0.0299) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.293 K(o=-0.0081,f=-1.7) USER MOD Set 2.2: A 62 GLN : amide:sc= -0.301 K(o=-0.0081,f=-1.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -161:sc= 1.22 (180deg=1.12) USER MOD Single : A 6 THR OG1 : rot 72:sc= 1.23 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.28) USER MOD Single : A 11 GLN : amide:sc= -0.0353 X(o=-0.035,f=-0.035) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0371 X(o=-0.037,f=-0.037) USER MOD Single : A 21 THR OG1 : rot 79:sc= 0.891 USER MOD Single : A 24 MET CE :methyl -169:sc= 0 (180deg=-0.0991) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 89:sc= 1.3 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.22) USER MOD Single : A 43 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.9) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -48:sc= 0.935 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.18e-05) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 83:sc= 0.984 USER MOD Single : A 65 MET CE :methyl -171:sc= -0.311 (180deg=-0.464) USER MOD Single : A 66 LYS NZ :NH3+ 166:sc= -0.0194 (180deg=-0.223) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 59:sc= 0.0241 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0.936) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.963 4.766 24.557 1.00 0.00 N ATOM 2 CA MET A 1 17.766 3.784 23.474 1.00 0.00 C ATOM 3 C MET A 1 17.358 4.443 22.151 1.00 0.00 C ATOM 4 O MET A 1 18.021 4.211 21.137 1.00 0.00 O ATOM 5 CB MET A 1 16.820 2.659 23.915 1.00 0.00 C ATOM 6 CG MET A 1 16.958 1.431 23.006 1.00 0.00 C ATOM 7 SD MET A 1 16.422 -0.135 23.752 1.00 0.00 S ATOM 8 CE MET A 1 14.657 0.191 24.026 1.00 0.00 C ATOM 0 H1 MET A 1 18.237 4.271 25.429 1.00 0.00 H new ATOM 0 H2 MET A 1 18.713 5.434 24.288 1.00 0.00 H new ATOM 0 H3 MET A 1 17.077 5.287 24.719 1.00 0.00 H new ATOM 0 HA MET A 1 18.730 3.318 23.270 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.039 2.379 24.945 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.791 3.017 23.894 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.379 1.602 22.099 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.001 1.335 22.705 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.192 -0.684 24.481 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.544 1.048 24.690 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.174 0.404 23.072 1.00 0.00 H new ATOM 20 N SER A 2 16.301 5.265 22.120 1.00 0.00 N ATOM 21 CA SER A 2 15.891 6.089 20.961 1.00 0.00 C ATOM 22 C SER A 2 15.766 5.365 19.603 1.00 0.00 C ATOM 23 O SER A 2 16.082 5.935 18.554 1.00 0.00 O ATOM 24 CB SER A 2 16.717 7.367 20.873 1.00 0.00 C ATOM 25 OG SER A 2 16.558 8.132 22.054 1.00 0.00 O ATOM 0 H SER A 2 15.684 5.383 22.924 1.00 0.00 H new ATOM 0 HA SER A 2 14.855 6.352 21.177 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.769 7.120 20.729 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.406 7.951 20.007 1.00 0.00 H new ATOM 0 HG SER A 2 17.094 8.950 21.989 1.00 0.00 H new ATOM 31 N SER A 3 15.337 4.101 19.581 1.00 0.00 N ATOM 32 CA SER A 3 15.213 3.299 18.353 1.00 0.00 C ATOM 33 C SER A 3 14.308 3.946 17.303 1.00 0.00 C ATOM 34 O SER A 3 14.696 4.005 16.136 1.00 0.00 O ATOM 35 CB SER A 3 14.630 1.927 18.677 1.00 0.00 C ATOM 36 OG SER A 3 15.453 1.227 19.587 1.00 0.00 O ATOM 0 H SER A 3 15.062 3.596 20.423 1.00 0.00 H new ATOM 0 HA SER A 3 16.221 3.221 17.945 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.632 2.043 19.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.522 1.348 17.760 1.00 0.00 H new ATOM 0 HG SER A 3 15.057 0.352 19.780 1.00 0.00 H new ATOM 42 N LYS A 4 13.144 4.487 17.689 1.00 0.00 N ATOM 43 CA LYS A 4 12.193 5.140 16.768 1.00 0.00 C ATOM 44 C LYS A 4 12.801 6.367 16.094 1.00 0.00 C ATOM 45 O LYS A 4 12.522 6.635 14.932 1.00 0.00 O ATOM 46 CB LYS A 4 10.923 5.502 17.557 1.00 0.00 C ATOM 47 CG LYS A 4 9.776 6.086 16.717 1.00 0.00 C ATOM 48 CD LYS A 4 9.708 7.615 16.753 1.00 0.00 C ATOM 49 CE LYS A 4 9.368 8.174 18.139 1.00 0.00 C ATOM 50 NZ LYS A 4 9.272 9.646 18.102 1.00 0.00 N ATOM 0 H LYS A 4 12.830 4.485 18.659 1.00 0.00 H new ATOM 0 HA LYS A 4 11.942 4.449 15.963 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.562 4.607 18.064 1.00 0.00 H new ATOM 0 HB3 LYS A 4 11.188 6.222 18.331 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.891 5.760 15.683 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.830 5.680 17.076 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.666 8.022 16.430 1.00 0.00 H new ATOM 0 HD3 LYS A 4 8.959 7.955 16.038 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.424 7.752 18.485 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.133 7.873 18.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.364 10.024 19.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.034 10.029 17.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.351 9.924 17.707 1.00 0.00 H new ATOM 64 N GLU A 5 13.678 7.077 16.796 1.00 0.00 N ATOM 65 CA GLU A 5 14.400 8.250 16.290 1.00 0.00 C ATOM 66 C GLU A 5 15.671 7.872 15.494 1.00 0.00 C ATOM 67 O GLU A 5 16.300 8.725 14.867 1.00 0.00 O ATOM 68 CB GLU A 5 14.711 9.161 17.482 1.00 0.00 C ATOM 69 CG GLU A 5 13.447 9.758 18.124 1.00 0.00 C ATOM 70 CD GLU A 5 12.761 10.803 17.238 1.00 0.00 C ATOM 71 OE1 GLU A 5 13.374 11.855 16.936 1.00 0.00 O ATOM 72 OE2 GLU A 5 11.594 10.582 16.833 1.00 0.00 O ATOM 0 H GLU A 5 13.916 6.850 17.761 1.00 0.00 H new ATOM 0 HA GLU A 5 13.772 8.779 15.573 1.00 0.00 H new ATOM 0 HB2 GLU A 5 15.261 8.594 18.233 1.00 0.00 H new ATOM 0 HB3 GLU A 5 15.363 9.971 17.154 1.00 0.00 H new ATOM 0 HG2 GLU A 5 12.743 8.955 18.341 1.00 0.00 H new ATOM 0 HG3 GLU A 5 13.712 10.216 19.077 1.00 0.00 H new ATOM 79 N THR A 6 16.042 6.586 15.494 1.00 0.00 N ATOM 80 CA THR A 6 17.187 6.011 14.758 1.00 0.00 C ATOM 81 C THR A 6 16.748 5.175 13.538 1.00 0.00 C ATOM 82 O THR A 6 17.586 4.802 12.721 1.00 0.00 O ATOM 83 CB THR A 6 18.064 5.160 15.707 1.00 0.00 C ATOM 84 OG1 THR A 6 18.233 5.787 16.971 1.00 0.00 O ATOM 85 CG2 THR A 6 19.485 4.940 15.187 1.00 0.00 C ATOM 0 H THR A 6 15.533 5.882 16.029 1.00 0.00 H new ATOM 0 HA THR A 6 17.773 6.847 14.377 1.00 0.00 H new ATOM 0 HB THR A 6 17.527 4.214 15.778 1.00 0.00 H new ATOM 0 HG1 THR A 6 17.394 5.739 17.475 1.00 0.00 H new ATOM 0 HG21 THR A 6 20.044 4.336 15.901 1.00 0.00 H new ATOM 0 HG22 THR A 6 19.446 4.424 14.228 1.00 0.00 H new ATOM 0 HG23 THR A 6 19.979 5.903 15.061 1.00 0.00 H new ATOM 93 N ILE A 7 15.448 4.873 13.395 1.00 0.00 N ATOM 94 CA ILE A 7 14.898 3.900 12.454 1.00 0.00 C ATOM 95 C ILE A 7 15.233 4.284 10.992 1.00 0.00 C ATOM 96 O ILE A 7 14.781 5.331 10.513 1.00 0.00 O ATOM 97 CB ILE A 7 13.393 3.709 12.793 1.00 0.00 C ATOM 98 CG1 ILE A 7 12.887 2.304 12.437 1.00 0.00 C ATOM 99 CG2 ILE A 7 12.453 4.810 12.277 1.00 0.00 C ATOM 100 CD1 ILE A 7 12.764 2.029 10.944 1.00 0.00 C ATOM 0 H ILE A 7 14.726 5.322 13.958 1.00 0.00 H new ATOM 0 HA ILE A 7 15.363 2.920 12.556 1.00 0.00 H new ATOM 0 HB ILE A 7 13.356 3.814 13.877 1.00 0.00 H new ATOM 0 HG12 ILE A 7 13.563 1.568 12.873 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.912 2.156 12.901 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.428 4.579 12.568 1.00 0.00 H new ATOM 0 HG22 ILE A 7 12.745 5.768 12.706 1.00 0.00 H new ATOM 0 HG23 ILE A 7 12.518 4.864 11.190 1.00 0.00 H new ATOM 0 HD11 ILE A 7 12.400 1.013 10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 7 12.064 2.737 10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 7 13.740 2.140 10.472 1.00 0.00 H new ATOM 112 N PRO A 8 16.028 3.474 10.261 1.00 0.00 N ATOM 113 CA PRO A 8 16.532 3.834 8.936 1.00 0.00 C ATOM 114 C PRO A 8 15.432 4.095 7.904 1.00 0.00 C ATOM 115 O PRO A 8 14.408 3.405 7.871 1.00 0.00 O ATOM 116 CB PRO A 8 17.451 2.694 8.502 1.00 0.00 C ATOM 117 CG PRO A 8 17.893 2.083 9.828 1.00 0.00 C ATOM 118 CD PRO A 8 16.667 2.244 10.708 1.00 0.00 C ATOM 0 HA PRO A 8 17.065 4.783 8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 8 16.928 1.969 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.300 3.058 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.173 1.036 9.715 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.757 2.602 10.242 1.00 0.00 H new ATOM 0 HD2 PRO A 8 15.995 1.392 10.605 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.944 2.305 11.760 1.00 0.00 H new ATOM 126 N MET A 9 15.680 5.035 6.991 1.00 0.00 N ATOM 127 CA MET A 9 14.816 5.264 5.829 1.00 0.00 C ATOM 128 C MET A 9 14.756 4.018 4.931 1.00 0.00 C ATOM 129 O MET A 9 13.706 3.731 4.366 1.00 0.00 O ATOM 130 CB MET A 9 15.297 6.502 5.054 1.00 0.00 C ATOM 131 CG MET A 9 14.216 7.012 4.098 1.00 0.00 C ATOM 132 SD MET A 9 14.691 8.466 3.129 1.00 0.00 S ATOM 133 CE MET A 9 13.060 8.893 2.455 1.00 0.00 C ATOM 0 H MET A 9 16.485 5.660 7.035 1.00 0.00 H new ATOM 0 HA MET A 9 13.801 5.454 6.177 1.00 0.00 H new ATOM 0 HB2 MET A 9 15.567 7.291 5.756 1.00 0.00 H new ATOM 0 HB3 MET A 9 16.197 6.255 4.491 1.00 0.00 H new ATOM 0 HG2 MET A 9 13.946 6.208 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 9 13.323 7.252 4.675 1.00 0.00 H new ATOM 0 HE1 MET A 9 13.148 9.776 1.822 1.00 0.00 H new ATOM 0 HE2 MET A 9 12.681 8.059 1.864 1.00 0.00 H new ATOM 0 HE3 MET A 9 12.371 9.100 3.274 1.00 0.00 H new ATOM 143 N HIS A 10 15.825 3.210 4.879 1.00 0.00 N ATOM 144 CA HIS A 10 15.817 1.926 4.164 1.00 0.00 C ATOM 145 C HIS A 10 14.747 0.960 4.724 1.00 0.00 C ATOM 146 O HIS A 10 13.995 0.358 3.960 1.00 0.00 O ATOM 147 CB HIS A 10 17.199 1.246 4.207 1.00 0.00 C ATOM 148 CG HIS A 10 18.417 2.134 4.316 1.00 0.00 C ATOM 149 ND1 HIS A 10 19.360 2.049 5.314 1.00 0.00 N ATOM 150 CD2 HIS A 10 18.837 3.108 3.450 1.00 0.00 C ATOM 151 CE1 HIS A 10 20.326 2.946 5.075 1.00 0.00 C ATOM 152 NE2 HIS A 10 20.041 3.633 3.953 1.00 0.00 N ATOM 0 H HIS A 10 16.715 3.427 5.329 1.00 0.00 H new ATOM 0 HA HIS A 10 15.568 2.153 3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 10 17.208 0.559 5.053 1.00 0.00 H new ATOM 0 HB3 HIS A 10 17.304 0.643 3.305 1.00 0.00 H new ATOM 0 HD2 HIS A 10 18.335 3.417 2.545 1.00 0.00 H new ATOM 0 HE1 HIS A 10 21.201 3.095 5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 10 20.592 4.389 3.546 1.00 0.00 H new ATOM 160 N GLN A 11 14.631 0.842 6.056 1.00 0.00 N ATOM 161 CA GLN A 11 13.647 -0.036 6.710 1.00 0.00 C ATOM 162 C GLN A 11 12.213 0.490 6.546 1.00 0.00 C ATOM 163 O GLN A 11 11.306 -0.290 6.244 1.00 0.00 O ATOM 164 CB GLN A 11 13.981 -0.194 8.205 1.00 0.00 C ATOM 165 CG GLN A 11 15.273 -0.968 8.511 1.00 0.00 C ATOM 166 CD GLN A 11 15.238 -2.417 8.033 1.00 0.00 C ATOM 167 OE1 GLN A 11 15.988 -2.836 7.160 1.00 0.00 O ATOM 168 NE2 GLN A 11 14.376 -3.257 8.549 1.00 0.00 N ATOM 0 H GLN A 11 15.219 1.355 6.713 1.00 0.00 H new ATOM 0 HA GLN A 11 13.703 -1.009 6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 11 14.057 0.798 8.650 1.00 0.00 H new ATOM 0 HB3 GLN A 11 13.149 -0.700 8.695 1.00 0.00 H new ATOM 0 HG2 GLN A 11 16.114 -0.458 8.040 1.00 0.00 H new ATOM 0 HG3 GLN A 11 15.452 -0.952 9.586 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.734 -2.946 9.278 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.346 -4.223 8.222 1.00 0.00 H new ATOM 177 N ARG A 12 12.022 1.813 6.653 1.00 0.00 N ATOM 178 CA ARG A 12 10.738 2.488 6.397 1.00 0.00 C ATOM 179 C ARG A 12 10.276 2.300 4.953 1.00 0.00 C ATOM 180 O ARG A 12 9.178 1.796 4.731 1.00 0.00 O ATOM 181 CB ARG A 12 10.850 3.970 6.765 1.00 0.00 C ATOM 182 CG ARG A 12 10.965 4.132 8.286 1.00 0.00 C ATOM 183 CD ARG A 12 11.030 5.609 8.662 1.00 0.00 C ATOM 184 NE ARG A 12 12.421 6.092 8.798 1.00 0.00 N ATOM 185 CZ ARG A 12 12.833 7.341 8.682 1.00 0.00 C ATOM 186 NH1 ARG A 12 12.141 8.249 8.063 1.00 0.00 N ATOM 187 NH2 ARG A 12 13.972 7.681 9.208 1.00 0.00 N ATOM 0 H ARG A 12 12.766 2.456 6.924 1.00 0.00 H new ATOM 0 HA ARG A 12 9.976 2.029 7.027 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.722 4.408 6.279 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.976 4.510 6.400 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.110 3.664 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.857 3.619 8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.516 6.198 7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.499 5.766 9.601 1.00 0.00 H new ATOM 0 HE ARG A 12 13.133 5.391 9.002 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.243 8.008 7.644 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.496 9.203 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.533 6.987 9.702 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.305 8.642 9.127 1.00 0.00 H new ATOM 201 N SER A 13 11.143 2.583 3.981 1.00 0.00 N ATOM 202 CA SER A 13 10.873 2.363 2.556 1.00 0.00 C ATOM 203 C SER A 13 10.653 0.883 2.220 1.00 0.00 C ATOM 204 O SER A 13 9.837 0.586 1.348 1.00 0.00 O ATOM 205 CB SER A 13 12.004 2.942 1.700 1.00 0.00 C ATOM 206 OG SER A 13 11.941 4.361 1.671 1.00 0.00 O ATOM 0 H SER A 13 12.066 2.977 4.161 1.00 0.00 H new ATOM 0 HA SER A 13 9.944 2.884 2.325 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.967 2.625 2.100 1.00 0.00 H new ATOM 0 HB3 SER A 13 11.935 2.550 0.685 1.00 0.00 H new ATOM 0 HG SER A 13 12.673 4.710 1.121 1.00 0.00 H new ATOM 212 N GLN A 14 11.277 -0.051 2.949 1.00 0.00 N ATOM 213 CA GLN A 14 10.978 -1.481 2.834 1.00 0.00 C ATOM 214 C GLN A 14 9.589 -1.830 3.395 1.00 0.00 C ATOM 215 O GLN A 14 8.882 -2.636 2.789 1.00 0.00 O ATOM 216 CB GLN A 14 12.099 -2.292 3.491 1.00 0.00 C ATOM 217 CG GLN A 14 11.950 -3.805 3.264 1.00 0.00 C ATOM 218 CD GLN A 14 11.342 -4.502 4.473 1.00 0.00 C ATOM 219 OE1 GLN A 14 12.028 -4.929 5.394 1.00 0.00 O ATOM 220 NE2 GLN A 14 10.039 -4.615 4.547 1.00 0.00 N ATOM 0 H GLN A 14 12.002 0.165 3.634 1.00 0.00 H new ATOM 0 HA GLN A 14 10.938 -1.747 1.778 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.060 -1.963 3.095 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.109 -2.089 4.562 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.323 -3.981 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.927 -4.238 3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.453 -4.265 3.789 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.611 -5.053 5.362 1.00 0.00 H new ATOM 229 N ASN A 15 9.160 -1.237 4.517 1.00 0.00 N ATOM 230 CA ASN A 15 7.808 -1.471 5.042 1.00 0.00 C ATOM 231 C ASN A 15 6.733 -0.850 4.123 1.00 0.00 C ATOM 232 O ASN A 15 5.649 -1.415 3.980 1.00 0.00 O ATOM 233 CB ASN A 15 7.686 -0.994 6.506 1.00 0.00 C ATOM 234 CG ASN A 15 6.753 -1.878 7.334 1.00 0.00 C ATOM 235 OD1 ASN A 15 7.053 -2.274 8.454 1.00 0.00 O ATOM 236 ND2 ASN A 15 5.606 -2.237 6.807 1.00 0.00 N ATOM 0 H ASN A 15 9.725 -0.596 5.075 1.00 0.00 H new ATOM 0 HA ASN A 15 7.628 -2.546 5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 15 8.675 -0.984 6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.318 0.032 6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.972 -2.841 7.329 1.00 0.00 H new ATOM 0 HD22 ASN A 15 5.349 -1.912 5.875 1.00 0.00 H new ATOM 243 N VAL A 16 7.048 0.265 3.446 1.00 0.00 N ATOM 244 CA VAL A 16 6.234 0.818 2.346 1.00 0.00 C ATOM 245 C VAL A 16 6.203 -0.137 1.154 1.00 0.00 C ATOM 246 O VAL A 16 5.124 -0.347 0.627 1.00 0.00 O ATOM 247 CB VAL A 16 6.739 2.208 1.903 1.00 0.00 C ATOM 248 CG1 VAL A 16 5.985 2.765 0.689 1.00 0.00 C ATOM 249 CG2 VAL A 16 6.585 3.249 3.010 1.00 0.00 C ATOM 0 H VAL A 16 7.883 0.816 3.647 1.00 0.00 H new ATOM 0 HA VAL A 16 5.219 0.936 2.727 1.00 0.00 H new ATOM 0 HB VAL A 16 7.787 2.044 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 16 6.388 3.744 0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 16 6.104 2.087 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 16 4.926 2.861 0.931 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.952 4.213 2.657 1.00 0.00 H new ATOM 0 HG22 VAL A 16 5.533 3.339 3.281 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.160 2.940 3.883 1.00 0.00 H new ATOM 259 N ALA A 17 7.309 -0.770 0.742 1.00 0.00 N ATOM 260 CA ALA A 17 7.321 -1.677 -0.420 1.00 0.00 C ATOM 261 C ALA A 17 6.379 -2.895 -0.254 1.00 0.00 C ATOM 262 O ALA A 17 5.704 -3.308 -1.206 1.00 0.00 O ATOM 263 CB ALA A 17 8.769 -2.116 -0.673 1.00 0.00 C ATOM 0 H ALA A 17 8.216 -0.671 1.199 1.00 0.00 H new ATOM 0 HA ALA A 17 6.934 -1.136 -1.284 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.801 -2.789 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.385 -1.240 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.152 -2.632 0.208 1.00 0.00 H new ATOM 269 N GLU A 18 6.275 -3.416 0.974 1.00 0.00 N ATOM 270 CA GLU A 18 5.335 -4.479 1.361 1.00 0.00 C ATOM 271 C GLU A 18 3.859 -4.055 1.207 1.00 0.00 C ATOM 272 O GLU A 18 3.033 -4.851 0.757 1.00 0.00 O ATOM 273 CB GLU A 18 5.606 -4.888 2.822 1.00 0.00 C ATOM 274 CG GLU A 18 6.923 -5.657 3.014 1.00 0.00 C ATOM 275 CD GLU A 18 7.154 -6.072 4.477 1.00 0.00 C ATOM 276 OE1 GLU A 18 6.922 -5.277 5.414 1.00 0.00 O ATOM 277 OE2 GLU A 18 7.595 -7.219 4.732 1.00 0.00 O ATOM 0 H GLU A 18 6.858 -3.102 1.749 1.00 0.00 H new ATOM 0 HA GLU A 18 5.498 -5.321 0.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.624 -3.993 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.780 -5.505 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.916 -6.547 2.384 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.755 -5.036 2.680 1.00 0.00 H new ATOM 284 N LEU A 19 3.543 -2.798 1.537 1.00 0.00 N ATOM 285 CA LEU A 19 2.236 -2.154 1.343 1.00 0.00 C ATOM 286 C LEU A 19 1.976 -1.810 -0.138 1.00 0.00 C ATOM 287 O LEU A 19 0.897 -2.081 -0.664 1.00 0.00 O ATOM 288 CB LEU A 19 2.229 -0.910 2.232 1.00 0.00 C ATOM 289 CG LEU A 19 0.891 -0.157 2.167 1.00 0.00 C ATOM 290 CD1 LEU A 19 0.499 0.246 3.571 1.00 0.00 C ATOM 291 CD2 LEU A 19 1.035 1.106 1.335 1.00 0.00 C ATOM 0 H LEU A 19 4.223 -2.171 1.967 1.00 0.00 H new ATOM 0 HA LEU A 19 1.427 -2.830 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.430 -1.201 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.035 -0.243 1.926 1.00 0.00 H new ATOM 0 HG LEU A 19 0.139 -0.804 1.716 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.450 0.782 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.395 -0.645 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.269 0.892 3.993 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.079 1.628 1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.786 1.755 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.343 0.842 0.323 1.00 0.00 H new ATOM 303 N LEU A 20 2.977 -1.246 -0.818 1.00 0.00 N ATOM 304 CA LEU A 20 2.944 -0.801 -2.214 1.00 0.00 C ATOM 305 C LEU A 20 2.540 -1.970 -3.120 1.00 0.00 C ATOM 306 O LEU A 20 1.624 -1.849 -3.923 1.00 0.00 O ATOM 307 CB LEU A 20 4.333 -0.248 -2.599 1.00 0.00 C ATOM 308 CG LEU A 20 4.467 0.676 -3.827 1.00 0.00 C ATOM 309 CD1 LEU A 20 3.152 1.139 -4.431 1.00 0.00 C ATOM 310 CD2 LEU A 20 5.231 1.929 -3.422 1.00 0.00 C ATOM 0 H LEU A 20 3.885 -1.078 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 20 2.206 -0.008 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.719 0.296 -1.737 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.992 -1.101 -2.758 1.00 0.00 H new ATOM 0 HG LEU A 20 4.978 0.076 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.352 1.783 -5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.575 0.273 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.584 1.694 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.331 2.589 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.689 2.446 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.221 1.651 -3.061 1.00 0.00 H new ATOM 322 N THR A 21 3.156 -3.137 -2.920 1.00 0.00 N ATOM 323 CA THR A 21 2.871 -4.362 -3.689 1.00 0.00 C ATOM 324 C THR A 21 1.432 -4.860 -3.497 1.00 0.00 C ATOM 325 O THR A 21 0.836 -5.396 -4.433 1.00 0.00 O ATOM 326 CB THR A 21 3.865 -5.454 -3.258 1.00 0.00 C ATOM 327 OG1 THR A 21 5.197 -5.008 -3.439 1.00 0.00 O ATOM 328 CG2 THR A 21 3.732 -6.744 -4.064 1.00 0.00 C ATOM 0 H THR A 21 3.878 -3.265 -2.211 1.00 0.00 H new ATOM 0 HA THR A 21 2.983 -4.130 -4.748 1.00 0.00 H new ATOM 0 HB THR A 21 3.633 -5.655 -2.212 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.445 -4.411 -2.703 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.462 -7.472 -3.709 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.727 -7.148 -3.941 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.912 -6.534 -5.118 1.00 0.00 H new ATOM 336 N VAL A 22 0.841 -4.662 -2.313 1.00 0.00 N ATOM 337 CA VAL A 22 -0.568 -4.987 -2.039 1.00 0.00 C ATOM 338 C VAL A 22 -1.516 -3.979 -2.695 1.00 0.00 C ATOM 339 O VAL A 22 -2.483 -4.401 -3.325 1.00 0.00 O ATOM 340 CB VAL A 22 -0.794 -5.123 -0.517 1.00 0.00 C ATOM 341 CG1 VAL A 22 -2.265 -5.110 -0.092 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.196 -6.442 -0.011 1.00 0.00 C ATOM 0 H VAL A 22 1.330 -4.268 -1.509 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.802 -5.951 -2.491 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.308 -4.249 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.332 -5.210 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.724 -4.170 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.788 -5.941 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.361 -6.528 1.063 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.676 -7.278 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.874 -6.459 -0.216 1.00 0.00 H new ATOM 352 N LEU A 23 -1.231 -2.673 -2.635 1.00 0.00 N ATOM 353 CA LEU A 23 -2.034 -1.654 -3.333 1.00 0.00 C ATOM 354 C LEU A 23 -1.919 -1.772 -4.865 1.00 0.00 C ATOM 355 O LEU A 23 -2.905 -1.611 -5.583 1.00 0.00 O ATOM 356 CB LEU A 23 -1.639 -0.240 -2.864 1.00 0.00 C ATOM 357 CG LEU A 23 -1.865 0.122 -1.392 1.00 0.00 C ATOM 358 CD1 LEU A 23 -1.620 1.618 -1.183 1.00 0.00 C ATOM 359 CD2 LEU A 23 -3.301 -0.180 -1.022 1.00 0.00 C ATOM 0 H LEU A 23 -0.446 -2.292 -2.107 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.078 -1.832 -3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.581 -0.100 -3.083 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.188 0.479 -3.472 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.180 -0.457 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.782 1.870 -0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.594 1.861 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.309 2.190 -1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.469 0.075 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.970 0.408 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.500 -1.241 -1.173 1.00 0.00 H new ATOM 371 N MET A 24 -0.743 -2.136 -5.375 1.00 0.00 N ATOM 372 CA MET A 24 -0.538 -2.501 -6.778 1.00 0.00 C ATOM 373 C MET A 24 -1.345 -3.738 -7.175 1.00 0.00 C ATOM 374 O MET A 24 -1.859 -3.787 -8.291 1.00 0.00 O ATOM 375 CB MET A 24 0.962 -2.716 -7.042 1.00 0.00 C ATOM 376 CG MET A 24 1.709 -1.386 -7.187 1.00 0.00 C ATOM 377 SD MET A 24 1.100 -0.273 -8.486 1.00 0.00 S ATOM 378 CE MET A 24 2.452 0.928 -8.491 1.00 0.00 C ATOM 0 H MET A 24 0.109 -2.187 -4.816 1.00 0.00 H new ATOM 0 HA MET A 24 -0.899 -1.680 -7.397 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.397 -3.290 -6.224 1.00 0.00 H new ATOM 0 HB3 MET A 24 1.091 -3.306 -7.949 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.663 -0.860 -6.234 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.760 -1.601 -7.382 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.166 1.795 -9.087 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.662 1.244 -7.469 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.343 0.470 -8.920 1.00 0.00 H new ATOM 388 N ASP A 25 -1.557 -4.691 -6.263 1.00 0.00 N ATOM 389 CA ASP A 25 -2.436 -5.831 -6.526 1.00 0.00 C ATOM 390 C ASP A 25 -3.893 -5.392 -6.746 1.00 0.00 C ATOM 391 O ASP A 25 -4.540 -5.901 -7.656 1.00 0.00 O ATOM 392 CB ASP A 25 -2.338 -6.878 -5.409 1.00 0.00 C ATOM 393 CG ASP A 25 -2.331 -8.299 -5.969 1.00 0.00 C ATOM 394 OD1 ASP A 25 -1.413 -8.640 -6.748 1.00 0.00 O ATOM 395 OD2 ASP A 25 -3.163 -9.127 -5.547 1.00 0.00 O ATOM 0 H ASP A 25 -1.131 -4.695 -5.336 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.093 -6.293 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.430 -6.710 -4.831 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.178 -6.760 -4.724 1.00 0.00 H new ATOM 400 N ILE A 26 -4.381 -4.382 -6.007 1.00 0.00 N ATOM 401 CA ILE A 26 -5.713 -3.787 -6.225 1.00 0.00 C ATOM 402 C ILE A 26 -5.784 -3.274 -7.661 1.00 0.00 C ATOM 403 O ILE A 26 -6.738 -3.548 -8.384 1.00 0.00 O ATOM 404 CB ILE A 26 -6.001 -2.603 -5.260 1.00 0.00 C ATOM 405 CG1 ILE A 26 -5.666 -2.848 -3.782 1.00 0.00 C ATOM 406 CG2 ILE A 26 -7.431 -2.062 -5.429 1.00 0.00 C ATOM 407 CD1 ILE A 26 -6.442 -3.980 -3.144 1.00 0.00 C ATOM 0 H ILE A 26 -3.863 -3.953 -5.240 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.459 -4.559 -6.034 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.292 -1.836 -5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.600 -3.059 -3.694 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.857 -1.932 -3.222 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.592 -1.236 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.569 -1.710 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.148 -2.856 -5.219 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.143 -4.083 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.509 -3.764 -3.196 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.233 -4.909 -3.675 1.00 0.00 H new ATOM 419 N ASN A 27 -4.736 -2.566 -8.086 1.00 0.00 N ATOM 420 CA ASN A 27 -4.694 -1.926 -9.396 1.00 0.00 C ATOM 421 C ASN A 27 -4.581 -2.931 -10.561 1.00 0.00 C ATOM 422 O ASN A 27 -5.221 -2.731 -11.598 1.00 0.00 O ATOM 423 CB ASN A 27 -3.586 -0.863 -9.396 1.00 0.00 C ATOM 424 CG ASN A 27 -3.929 0.245 -10.368 1.00 0.00 C ATOM 425 OD1 ASN A 27 -4.858 1.008 -10.148 1.00 0.00 O ATOM 426 ND2 ASN A 27 -3.242 0.334 -11.476 1.00 0.00 N ATOM 0 H ASN A 27 -3.894 -2.422 -7.529 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.648 -1.430 -9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.464 -0.453 -8.393 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.635 -1.318 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -3.479 1.045 -12.167 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.469 -0.308 -11.649 1.00 0.00 H new ATOM 433 N LYS A 28 -3.839 -4.035 -10.385 1.00 0.00 N ATOM 434 CA LYS A 28 -3.719 -5.147 -11.341 1.00 0.00 C ATOM 435 C LYS A 28 -4.958 -6.043 -11.408 1.00 0.00 C ATOM 436 O LYS A 28 -5.237 -6.606 -12.465 1.00 0.00 O ATOM 437 CB LYS A 28 -2.481 -5.983 -10.970 1.00 0.00 C ATOM 438 CG LYS A 28 -1.131 -5.320 -11.298 1.00 0.00 C ATOM 439 CD LYS A 28 -0.950 -4.909 -12.768 1.00 0.00 C ATOM 440 CE LYS A 28 -1.145 -6.062 -13.760 1.00 0.00 C ATOM 441 NZ LYS A 28 -1.039 -5.567 -15.151 1.00 0.00 N ATOM 0 H LYS A 28 -3.285 -4.184 -9.541 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.617 -4.710 -12.334 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.513 -6.200 -9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.536 -6.939 -11.491 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.016 -4.435 -10.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.330 -6.008 -11.027 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.659 -4.115 -13.004 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.049 -4.494 -12.899 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.395 -6.833 -13.583 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.120 -6.524 -13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.173 -6.358 -15.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.770 -4.847 -15.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.099 -5.147 -15.299 1.00 0.00 H new ATOM 455 N ILE A 29 -5.724 -6.147 -10.322 1.00 0.00 N ATOM 456 CA ILE A 29 -7.028 -6.828 -10.304 1.00 0.00 C ATOM 457 C ILE A 29 -8.100 -5.949 -10.976 1.00 0.00 C ATOM 458 O ILE A 29 -8.841 -6.404 -11.852 1.00 0.00 O ATOM 459 CB ILE A 29 -7.394 -7.201 -8.847 1.00 0.00 C ATOM 460 CG1 ILE A 29 -6.444 -8.278 -8.273 1.00 0.00 C ATOM 461 CG2 ILE A 29 -8.823 -7.749 -8.793 1.00 0.00 C ATOM 462 CD1 ILE A 29 -6.454 -8.368 -6.737 1.00 0.00 C ATOM 0 H ILE A 29 -5.458 -5.758 -9.418 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.974 -7.752 -10.879 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.302 -6.294 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.721 -9.248 -8.685 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.428 -8.067 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.074 -8.010 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.517 -6.991 -9.155 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.896 -8.637 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.762 -9.146 -6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.147 -7.411 -6.314 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.460 -8.611 -6.393 1.00 0.00 H new ATOM 474 N ASN A 30 -8.157 -4.669 -10.600 1.00 0.00 N ATOM 475 CA ASN A 30 -9.170 -3.704 -11.040 1.00 0.00 C ATOM 476 C ASN A 30 -8.964 -3.185 -12.480 1.00 0.00 C ATOM 477 O ASN A 30 -9.851 -2.551 -13.056 1.00 0.00 O ATOM 478 CB ASN A 30 -9.167 -2.557 -10.013 1.00 0.00 C ATOM 479 CG ASN A 30 -10.320 -1.582 -10.155 1.00 0.00 C ATOM 480 OD1 ASN A 30 -11.408 -1.917 -10.606 1.00 0.00 O ATOM 481 ND2 ASN A 30 -10.123 -0.355 -9.749 1.00 0.00 N ATOM 0 H ASN A 30 -7.476 -4.261 -9.959 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.139 -4.201 -11.081 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.190 -2.984 -9.010 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.230 -2.008 -10.104 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.878 0.329 -9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.215 -0.081 -9.374 1.00 0.00 H new ATOM 488 N GLY A 31 -7.788 -3.411 -13.072 1.00 0.00 N ATOM 489 CA GLY A 31 -7.419 -2.833 -14.367 1.00 0.00 C ATOM 490 C GLY A 31 -7.293 -1.308 -14.333 1.00 0.00 C ATOM 491 O GLY A 31 -7.545 -0.648 -15.343 1.00 0.00 O ATOM 0 H GLY A 31 -7.063 -4.002 -12.665 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.471 -3.262 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.167 -3.113 -15.109 1.00 0.00 H new ATOM 495 N GLY A 32 -6.944 -0.734 -13.178 1.00 0.00 N ATOM 496 CA GLY A 32 -6.758 0.704 -13.019 1.00 0.00 C ATOM 497 C GLY A 32 -5.602 1.221 -13.876 1.00 0.00 C ATOM 498 O GLY A 32 -4.584 0.545 -14.052 1.00 0.00 O ATOM 0 H GLY A 32 -6.782 -1.263 -12.321 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.676 1.223 -13.295 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.565 0.933 -11.971 1.00 0.00 H new ATOM 502 N ASP A 33 -5.776 2.414 -14.428 1.00 0.00 N ATOM 503 CA ASP A 33 -4.825 3.100 -15.315 1.00 0.00 C ATOM 504 C ASP A 33 -3.427 3.309 -14.690 1.00 0.00 C ATOM 505 O ASP A 33 -3.267 3.284 -13.468 1.00 0.00 O ATOM 506 CB ASP A 33 -5.466 4.441 -15.717 1.00 0.00 C ATOM 507 CG ASP A 33 -4.727 5.158 -16.844 1.00 0.00 C ATOM 508 OD1 ASP A 33 -4.896 4.760 -18.026 1.00 0.00 O ATOM 509 OD2 ASP A 33 -3.995 6.134 -16.560 1.00 0.00 O ATOM 0 H ASP A 33 -6.621 2.962 -14.267 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.640 2.471 -16.186 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.497 4.264 -16.025 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.502 5.093 -14.844 1.00 0.00 H new ATOM 514 N SER A 34 -2.410 3.583 -15.515 1.00 0.00 N ATOM 515 CA SER A 34 -1.074 4.025 -15.077 1.00 0.00 C ATOM 516 C SER A 34 -1.135 5.222 -14.119 1.00 0.00 C ATOM 517 O SER A 34 -0.402 5.279 -13.136 1.00 0.00 O ATOM 518 CB SER A 34 -0.219 4.383 -16.304 1.00 0.00 C ATOM 519 OG SER A 34 -0.767 5.490 -17.010 1.00 0.00 O ATOM 0 H SER A 34 -2.491 3.503 -16.529 1.00 0.00 H new ATOM 0 HA SER A 34 -0.621 3.198 -14.531 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.797 4.618 -15.986 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.154 3.521 -16.968 1.00 0.00 H new ATOM 0 HG SER A 34 -0.202 5.696 -17.784 1.00 0.00 H new ATOM 525 N THR A 35 -2.081 6.141 -14.335 1.00 0.00 N ATOM 526 CA THR A 35 -2.352 7.281 -13.442 1.00 0.00 C ATOM 527 C THR A 35 -2.805 6.812 -12.055 1.00 0.00 C ATOM 528 O THR A 35 -2.384 7.369 -11.042 1.00 0.00 O ATOM 529 CB THR A 35 -3.444 8.189 -14.036 1.00 0.00 C ATOM 530 OG1 THR A 35 -3.272 8.353 -15.430 1.00 0.00 O ATOM 531 CG2 THR A 35 -3.436 9.582 -13.416 1.00 0.00 C ATOM 0 H THR A 35 -2.694 6.116 -15.150 1.00 0.00 H new ATOM 0 HA THR A 35 -1.420 7.837 -13.343 1.00 0.00 H new ATOM 0 HB THR A 35 -4.389 7.692 -13.818 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.749 7.640 -15.905 1.00 0.00 H new ATOM 0 HG21 THR A 35 -4.224 10.186 -13.867 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.609 9.504 -12.343 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.470 10.054 -13.594 1.00 0.00 H new ATOM 539 N THR A 36 -3.622 5.755 -11.996 1.00 0.00 N ATOM 540 CA THR A 36 -4.073 5.112 -10.763 1.00 0.00 C ATOM 541 C THR A 36 -2.960 4.308 -10.085 1.00 0.00 C ATOM 542 O THR A 36 -2.828 4.370 -8.866 1.00 0.00 O ATOM 543 CB THR A 36 -5.286 4.221 -11.046 1.00 0.00 C ATOM 544 OG1 THR A 36 -6.206 4.861 -11.908 1.00 0.00 O ATOM 545 CG2 THR A 36 -6.049 3.939 -9.766 1.00 0.00 C ATOM 0 H THR A 36 -3.998 5.311 -12.834 1.00 0.00 H new ATOM 0 HA THR A 36 -4.361 5.902 -10.070 1.00 0.00 H new ATOM 0 HB THR A 36 -4.897 3.308 -11.497 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.968 4.267 -12.072 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.908 3.305 -9.986 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.395 3.431 -9.057 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.394 4.878 -9.333 1.00 0.00 H new ATOM 553 N ALA A 37 -2.097 3.627 -10.847 1.00 0.00 N ATOM 554 CA ALA A 37 -0.889 2.983 -10.318 1.00 0.00 C ATOM 555 C ALA A 37 0.056 4.013 -9.663 1.00 0.00 C ATOM 556 O ALA A 37 0.589 3.788 -8.576 1.00 0.00 O ATOM 557 CB ALA A 37 -0.196 2.230 -11.461 1.00 0.00 C ATOM 0 H ALA A 37 -2.217 3.506 -11.853 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.166 2.276 -9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.705 1.745 -11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.873 1.476 -11.863 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.073 2.933 -12.249 1.00 0.00 H new ATOM 563 N GLU A 38 0.190 5.194 -10.270 1.00 0.00 N ATOM 564 CA GLU A 38 0.891 6.338 -9.682 1.00 0.00 C ATOM 565 C GLU A 38 0.223 6.858 -8.395 1.00 0.00 C ATOM 566 O GLU A 38 0.943 7.193 -7.452 1.00 0.00 O ATOM 567 CB GLU A 38 1.057 7.433 -10.734 1.00 0.00 C ATOM 568 CG GLU A 38 2.110 7.105 -11.806 1.00 0.00 C ATOM 569 CD GLU A 38 3.542 7.085 -11.271 1.00 0.00 C ATOM 570 OE1 GLU A 38 3.890 7.938 -10.418 1.00 0.00 O ATOM 571 OE2 GLU A 38 4.329 6.223 -11.732 1.00 0.00 O ATOM 0 H GLU A 38 -0.191 5.386 -11.197 1.00 0.00 H new ATOM 0 HA GLU A 38 1.879 6.002 -9.369 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.097 7.606 -11.221 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.334 8.363 -10.237 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.881 6.133 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.041 7.840 -12.608 1.00 0.00 H new ATOM 578 N LYS A 39 -1.116 6.841 -8.287 1.00 0.00 N ATOM 579 CA LYS A 39 -1.844 7.069 -7.023 1.00 0.00 C ATOM 580 C LYS A 39 -1.603 5.982 -5.973 1.00 0.00 C ATOM 581 O LYS A 39 -1.494 6.324 -4.800 1.00 0.00 O ATOM 582 CB LYS A 39 -3.346 7.251 -7.293 1.00 0.00 C ATOM 583 CG LYS A 39 -3.799 8.716 -7.328 1.00 0.00 C ATOM 584 CD LYS A 39 -2.995 9.591 -8.292 1.00 0.00 C ATOM 585 CE LYS A 39 -3.550 11.015 -8.371 1.00 0.00 C ATOM 586 NZ LYS A 39 -2.577 11.910 -9.032 1.00 0.00 N ATOM 0 H LYS A 39 -1.732 6.667 -9.082 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.442 7.988 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.593 6.782 -8.245 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -3.910 6.725 -6.523 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.851 8.754 -7.610 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.723 9.134 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.954 9.625 -7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.006 9.142 -9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.489 11.016 -8.924 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.770 11.383 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.967 12.873 -9.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.691 11.921 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.388 11.566 -9.995 1.00 0.00 H new ATOM 600 N MET A 40 -1.442 4.709 -6.343 1.00 0.00 N ATOM 601 CA MET A 40 -1.075 3.660 -5.374 1.00 0.00 C ATOM 602 C MET A 40 0.308 3.922 -4.762 1.00 0.00 C ATOM 603 O MET A 40 0.466 3.801 -3.546 1.00 0.00 O ATOM 604 CB MET A 40 -1.118 2.255 -5.995 1.00 0.00 C ATOM 605 CG MET A 40 -2.492 1.835 -6.525 1.00 0.00 C ATOM 606 SD MET A 40 -3.885 1.944 -5.359 1.00 0.00 S ATOM 607 CE MET A 40 -5.166 1.162 -6.378 1.00 0.00 C ATOM 0 H MET A 40 -1.558 4.376 -7.300 1.00 0.00 H new ATOM 0 HA MET A 40 -1.822 3.698 -4.581 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.399 2.211 -6.813 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.795 1.531 -5.247 1.00 0.00 H new ATOM 0 HG2 MET A 40 -2.725 2.452 -7.393 1.00 0.00 H new ATOM 0 HG3 MET A 40 -2.421 0.805 -6.876 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.096 1.105 -5.813 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.325 1.754 -7.280 1.00 0.00 H new ATOM 0 HE3 MET A 40 -4.847 0.157 -6.655 1.00 0.00 H new ATOM 617 N LYS A 41 1.282 4.375 -5.567 1.00 0.00 N ATOM 618 CA LYS A 41 2.588 4.853 -5.064 1.00 0.00 C ATOM 619 C LYS A 41 2.433 6.028 -4.087 1.00 0.00 C ATOM 620 O LYS A 41 2.991 5.986 -2.994 1.00 0.00 O ATOM 621 CB LYS A 41 3.542 5.217 -6.197 1.00 0.00 C ATOM 622 CG LYS A 41 3.891 4.067 -7.151 1.00 0.00 C ATOM 623 CD LYS A 41 4.695 4.594 -8.348 1.00 0.00 C ATOM 624 CE LYS A 41 4.951 3.505 -9.396 1.00 0.00 C ATOM 625 NZ LYS A 41 5.675 4.069 -10.557 1.00 0.00 N ATOM 0 H LYS A 41 1.191 4.422 -6.582 1.00 0.00 H new ATOM 0 HA LYS A 41 3.027 4.019 -4.516 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.100 6.027 -6.777 1.00 0.00 H new ATOM 0 HB3 LYS A 41 4.465 5.602 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.468 3.309 -6.622 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.978 3.586 -7.501 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.156 5.421 -8.810 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.648 4.990 -7.998 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.532 2.696 -8.955 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.004 3.076 -9.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.797 3.333 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.129 4.860 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.608 4.412 -10.251 1.00 0.00 H new ATOM 639 N VAL A 42 1.620 7.035 -4.431 1.00 0.00 N ATOM 640 CA VAL A 42 1.332 8.199 -3.561 1.00 0.00 C ATOM 641 C VAL A 42 0.628 7.791 -2.264 1.00 0.00 C ATOM 642 O VAL A 42 0.986 8.301 -1.204 1.00 0.00 O ATOM 643 CB VAL A 42 0.510 9.266 -4.318 1.00 0.00 C ATOM 644 CG1 VAL A 42 -0.019 10.404 -3.433 1.00 0.00 C ATOM 645 CG2 VAL A 42 1.371 9.918 -5.401 1.00 0.00 C ATOM 0 H VAL A 42 1.136 7.072 -5.328 1.00 0.00 H new ATOM 0 HA VAL A 42 2.292 8.634 -3.284 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.343 8.724 -4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.584 11.108 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.668 9.992 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.819 10.921 -2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.784 10.669 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.237 10.393 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 42 1.707 9.157 -6.106 1.00 0.00 H new ATOM 655 N HIS A 43 -0.309 6.840 -2.302 1.00 0.00 N ATOM 656 CA HIS A 43 -1.027 6.334 -1.130 1.00 0.00 C ATOM 657 C HIS A 43 -0.069 5.570 -0.209 1.00 0.00 C ATOM 658 O HIS A 43 -0.163 5.676 1.015 1.00 0.00 O ATOM 659 CB HIS A 43 -2.177 5.431 -1.612 1.00 0.00 C ATOM 660 CG HIS A 43 -3.139 4.959 -0.541 1.00 0.00 C ATOM 661 ND1 HIS A 43 -2.981 5.043 0.826 1.00 0.00 N ATOM 662 CD2 HIS A 43 -4.361 4.378 -0.759 1.00 0.00 C ATOM 663 CE1 HIS A 43 -4.074 4.535 1.417 1.00 0.00 C ATOM 664 NE2 HIS A 43 -4.959 4.128 0.486 1.00 0.00 N ATOM 0 H HIS A 43 -0.596 6.389 -3.171 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.440 7.163 -0.555 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -2.744 5.971 -2.370 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.747 4.556 -2.098 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -2.169 5.427 1.308 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.790 4.151 -1.724 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -4.223 4.463 2.484 1.00 0.00 H new ATOM 672 N ALA A 44 0.884 4.842 -0.792 1.00 0.00 N ATOM 673 CA ALA A 44 1.875 4.079 -0.052 1.00 0.00 C ATOM 674 C ALA A 44 2.942 4.968 0.609 1.00 0.00 C ATOM 675 O ALA A 44 3.221 4.821 1.800 1.00 0.00 O ATOM 676 CB ALA A 44 2.479 3.052 -1.015 1.00 0.00 C ATOM 0 H ALA A 44 0.986 4.768 -1.804 1.00 0.00 H new ATOM 0 HA ALA A 44 1.396 3.569 0.783 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.229 2.460 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.693 2.395 -1.386 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.945 3.570 -1.853 1.00 0.00 H new ATOM 682 N LYS A 45 3.477 5.945 -0.134 1.00 0.00 N ATOM 683 CA LYS A 45 4.406 6.976 0.364 1.00 0.00 C ATOM 684 C LYS A 45 3.733 7.939 1.347 1.00 0.00 C ATOM 685 O LYS A 45 4.383 8.434 2.268 1.00 0.00 O ATOM 686 CB LYS A 45 4.999 7.725 -0.840 1.00 0.00 C ATOM 687 CG LYS A 45 5.963 6.828 -1.631 1.00 0.00 C ATOM 688 CD LYS A 45 6.376 7.477 -2.956 1.00 0.00 C ATOM 689 CE LYS A 45 7.378 6.548 -3.641 1.00 0.00 C ATOM 690 NZ LYS A 45 7.863 7.100 -4.921 1.00 0.00 N ATOM 0 H LYS A 45 3.271 6.046 -1.128 1.00 0.00 H new ATOM 0 HA LYS A 45 5.204 6.489 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.195 8.064 -1.493 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.526 8.615 -0.495 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.851 6.628 -1.031 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.488 5.867 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.505 7.634 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.822 8.456 -2.779 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.225 6.376 -2.977 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.911 5.579 -3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.540 6.437 -5.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.059 7.240 -5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.332 8.012 -4.750 1.00 0.00 H new ATOM 704 N SER A 46 2.421 8.144 1.217 1.00 0.00 N ATOM 705 CA SER A 46 1.604 8.801 2.238 1.00 0.00 C ATOM 706 C SER A 46 1.517 7.953 3.502 1.00 0.00 C ATOM 707 O SER A 46 1.626 8.504 4.590 1.00 0.00 O ATOM 708 CB SER A 46 0.206 9.119 1.697 1.00 0.00 C ATOM 709 OG SER A 46 -0.594 9.708 2.703 1.00 0.00 O ATOM 0 H SER A 46 1.892 7.856 0.394 1.00 0.00 H new ATOM 0 HA SER A 46 2.089 9.742 2.499 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.285 9.795 0.845 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.267 8.205 1.337 1.00 0.00 H new ATOM 0 HG SER A 46 -1.483 9.906 2.340 1.00 0.00 H new ATOM 715 N PHE A 47 1.400 6.623 3.407 1.00 0.00 N ATOM 716 CA PHE A 47 1.207 5.787 4.592 1.00 0.00 C ATOM 717 C PHE A 47 2.383 5.833 5.583 1.00 0.00 C ATOM 718 O PHE A 47 2.139 5.916 6.788 1.00 0.00 O ATOM 719 CB PHE A 47 0.840 4.352 4.208 1.00 0.00 C ATOM 720 CG PHE A 47 0.081 3.664 5.325 1.00 0.00 C ATOM 721 CD1 PHE A 47 0.771 3.016 6.369 1.00 0.00 C ATOM 722 CD2 PHE A 47 -1.318 3.800 5.396 1.00 0.00 C ATOM 723 CE1 PHE A 47 0.066 2.509 7.474 1.00 0.00 C ATOM 724 CE2 PHE A 47 -2.021 3.299 6.505 1.00 0.00 C ATOM 725 CZ PHE A 47 -1.330 2.653 7.543 1.00 0.00 C ATOM 0 H PHE A 47 1.436 6.108 2.527 1.00 0.00 H new ATOM 0 HA PHE A 47 0.363 6.220 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.233 4.359 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.746 3.790 3.980 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.845 2.909 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -1.853 4.291 4.596 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.597 2.009 8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -3.094 3.411 6.559 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.871 2.267 8.394 1.00 0.00 H new ATOM 735 N GLU A 48 3.641 5.846 5.118 1.00 0.00 N ATOM 736 CA GLU A 48 4.787 6.056 6.026 1.00 0.00 C ATOM 737 C GLU A 48 4.803 7.463 6.639 1.00 0.00 C ATOM 738 O GLU A 48 5.040 7.600 7.836 1.00 0.00 O ATOM 739 CB GLU A 48 6.151 5.724 5.399 1.00 0.00 C ATOM 740 CG GLU A 48 6.389 6.340 4.013 1.00 0.00 C ATOM 741 CD GLU A 48 7.865 6.390 3.571 1.00 0.00 C ATOM 742 OE1 GLU A 48 8.778 6.286 4.422 1.00 0.00 O ATOM 743 OE2 GLU A 48 8.134 6.583 2.362 1.00 0.00 O ATOM 0 H GLU A 48 3.892 5.717 4.138 1.00 0.00 H new ATOM 0 HA GLU A 48 4.630 5.336 6.829 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.937 6.065 6.073 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.245 4.641 5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.823 5.770 3.276 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.989 7.354 4.008 1.00 0.00 H new ATOM 750 N ALA A 49 4.488 8.508 5.867 1.00 0.00 N ATOM 751 CA ALA A 49 4.468 9.888 6.351 1.00 0.00 C ATOM 752 C ALA A 49 3.317 10.145 7.349 1.00 0.00 C ATOM 753 O ALA A 49 3.505 10.788 8.386 1.00 0.00 O ATOM 754 CB ALA A 49 4.394 10.808 5.127 1.00 0.00 C ATOM 0 H ALA A 49 4.238 8.417 4.882 1.00 0.00 H new ATOM 0 HA ALA A 49 5.378 10.095 6.915 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.377 11.848 5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.265 10.641 4.493 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.487 10.591 4.563 1.00 0.00 H new ATOM 760 N ALA A 50 2.144 9.578 7.078 1.00 0.00 N ATOM 761 CA ALA A 50 0.966 9.624 7.935 1.00 0.00 C ATOM 762 C ALA A 50 1.196 8.888 9.256 1.00 0.00 C ATOM 763 O ALA A 50 0.711 9.323 10.303 1.00 0.00 O ATOM 764 CB ALA A 50 -0.204 9.010 7.157 1.00 0.00 C ATOM 0 H ALA A 50 1.983 9.052 6.219 1.00 0.00 H new ATOM 0 HA ALA A 50 0.744 10.658 8.198 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.102 9.030 7.774 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.376 9.584 6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.034 7.979 6.896 1.00 0.00 H new ATOM 770 N LEU A 51 1.984 7.809 9.232 1.00 0.00 N ATOM 771 CA LEU A 51 2.381 7.100 10.436 1.00 0.00 C ATOM 772 C LEU A 51 3.519 7.824 11.170 1.00 0.00 C ATOM 773 O LEU A 51 3.463 7.934 12.389 1.00 0.00 O ATOM 774 CB LEU A 51 2.697 5.651 10.059 1.00 0.00 C ATOM 775 CG LEU A 51 2.791 4.699 11.257 1.00 0.00 C ATOM 776 CD1 LEU A 51 1.548 4.661 12.141 1.00 0.00 C ATOM 777 CD2 LEU A 51 3.008 3.296 10.710 1.00 0.00 C ATOM 0 H LEU A 51 2.361 7.408 8.373 1.00 0.00 H new ATOM 0 HA LEU A 51 1.565 7.085 11.159 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.926 5.287 9.379 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.641 5.626 9.514 1.00 0.00 H new ATOM 0 HG LEU A 51 3.607 5.062 11.882 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.706 3.961 12.962 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.358 5.656 12.544 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.691 4.339 11.550 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.080 2.590 11.537 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.169 3.021 10.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.931 3.270 10.130 1.00 0.00 H new ATOM 789 N PHE A 52 4.482 8.421 10.457 1.00 0.00 N ATOM 790 CA PHE A 52 5.522 9.303 11.014 1.00 0.00 C ATOM 791 C PHE A 52 4.929 10.486 11.804 1.00 0.00 C ATOM 792 O PHE A 52 5.498 10.917 12.803 1.00 0.00 O ATOM 793 CB PHE A 52 6.454 9.779 9.889 1.00 0.00 C ATOM 794 CG PHE A 52 7.668 10.560 10.362 1.00 0.00 C ATOM 795 CD1 PHE A 52 8.823 9.878 10.794 1.00 0.00 C ATOM 796 CD2 PHE A 52 7.652 11.969 10.364 1.00 0.00 C ATOM 797 CE1 PHE A 52 9.949 10.601 11.228 1.00 0.00 C ATOM 798 CE2 PHE A 52 8.777 12.690 10.807 1.00 0.00 C ATOM 799 CZ PHE A 52 9.925 12.006 11.240 1.00 0.00 C ATOM 0 H PHE A 52 4.564 8.302 9.447 1.00 0.00 H new ATOM 0 HA PHE A 52 6.105 8.727 11.733 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.794 8.911 9.325 1.00 0.00 H new ATOM 0 HB3 PHE A 52 5.883 10.402 9.201 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.844 8.798 10.792 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.774 12.498 10.024 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.834 10.075 11.553 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.757 13.770 10.814 1.00 0.00 H new ATOM 0 HZ PHE A 52 10.788 12.559 11.582 1.00 0.00 H new ATOM 809 N GLU A 53 3.753 10.983 11.412 1.00 0.00 N ATOM 810 CA GLU A 53 3.009 12.037 12.120 1.00 0.00 C ATOM 811 C GLU A 53 2.438 11.578 13.488 1.00 0.00 C ATOM 812 O GLU A 53 2.257 12.407 14.387 1.00 0.00 O ATOM 813 CB GLU A 53 1.921 12.543 11.152 1.00 0.00 C ATOM 814 CG GLU A 53 1.148 13.789 11.597 1.00 0.00 C ATOM 815 CD GLU A 53 2.040 15.015 11.810 1.00 0.00 C ATOM 816 OE1 GLU A 53 2.736 15.449 10.864 1.00 0.00 O ATOM 817 OE2 GLU A 53 2.066 15.552 12.945 1.00 0.00 O ATOM 0 H GLU A 53 3.276 10.657 10.571 1.00 0.00 H new ATOM 0 HA GLU A 53 3.684 12.849 12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.389 12.755 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.206 11.737 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.392 14.025 10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.620 13.568 12.525 1.00 0.00 H new ATOM 824 N LYS A 54 2.197 10.271 13.693 1.00 0.00 N ATOM 825 CA LYS A 54 1.705 9.653 14.951 1.00 0.00 C ATOM 826 C LYS A 54 2.639 8.604 15.597 1.00 0.00 C ATOM 827 O LYS A 54 2.238 7.902 16.526 1.00 0.00 O ATOM 828 CB LYS A 54 0.259 9.164 14.760 1.00 0.00 C ATOM 829 CG LYS A 54 0.120 7.966 13.813 1.00 0.00 C ATOM 830 CD LYS A 54 -1.353 7.560 13.688 1.00 0.00 C ATOM 831 CE LYS A 54 -1.494 6.337 12.780 1.00 0.00 C ATOM 832 NZ LYS A 54 -2.894 5.870 12.724 1.00 0.00 N ATOM 0 H LYS A 54 2.344 9.580 12.957 1.00 0.00 H new ATOM 0 HA LYS A 54 1.711 10.442 15.703 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.153 8.894 15.732 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.343 9.988 14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.519 8.221 12.831 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.706 7.127 14.188 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.760 7.338 14.674 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.932 8.390 13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.151 6.585 11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.855 5.534 13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.958 5.040 12.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.212 5.611 13.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.499 6.630 12.352 1.00 0.00 H new ATOM 846 N SER A 55 3.874 8.496 15.104 1.00 0.00 N ATOM 847 CA SER A 55 4.950 7.525 15.397 1.00 0.00 C ATOM 848 C SER A 55 5.473 7.437 16.849 1.00 0.00 C ATOM 849 O SER A 55 6.641 7.110 17.053 1.00 0.00 O ATOM 850 CB SER A 55 6.094 7.732 14.394 1.00 0.00 C ATOM 851 OG SER A 55 7.047 6.689 14.470 1.00 0.00 O ATOM 0 H SER A 55 4.190 9.166 14.403 1.00 0.00 H new ATOM 0 HA SER A 55 4.478 6.550 15.280 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.688 7.782 13.384 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.582 8.687 14.589 1.00 0.00 H new ATOM 0 HG SER A 55 7.290 6.536 15.407 1.00 0.00 H new ATOM 857 N SER A 56 4.687 7.772 17.871 1.00 0.00 N ATOM 858 CA SER A 56 5.094 7.956 19.279 1.00 0.00 C ATOM 859 C SER A 56 5.775 6.758 19.984 1.00 0.00 C ATOM 860 O SER A 56 6.187 6.893 21.140 1.00 0.00 O ATOM 861 CB SER A 56 3.846 8.356 20.074 1.00 0.00 C ATOM 862 OG SER A 56 2.872 7.330 19.974 1.00 0.00 O ATOM 0 H SER A 56 3.689 7.934 17.739 1.00 0.00 H new ATOM 0 HA SER A 56 5.872 8.719 19.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.106 8.524 21.119 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.443 9.293 19.691 1.00 0.00 H new ATOM 0 HG SER A 56 2.075 7.585 20.484 1.00 0.00 H new ATOM 868 N SER A 57 5.945 5.616 19.308 1.00 0.00 N ATOM 869 CA SER A 57 6.885 4.540 19.656 1.00 0.00 C ATOM 870 C SER A 57 7.161 3.641 18.439 1.00 0.00 C ATOM 871 O SER A 57 6.287 3.492 17.580 1.00 0.00 O ATOM 872 CB SER A 57 6.323 3.696 20.805 1.00 0.00 C ATOM 873 OG SER A 57 7.390 3.100 21.517 1.00 0.00 O ATOM 0 H SER A 57 5.409 5.406 18.466 1.00 0.00 H new ATOM 0 HA SER A 57 7.823 4.998 19.972 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.730 4.321 21.473 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.658 2.926 20.414 1.00 0.00 H new ATOM 0 HG SER A 57 7.032 2.561 22.253 1.00 0.00 H new ATOM 879 N LYS A 58 8.342 3.008 18.348 1.00 0.00 N ATOM 880 CA LYS A 58 8.671 2.094 17.231 1.00 0.00 C ATOM 881 C LYS A 58 7.733 0.892 17.171 1.00 0.00 C ATOM 882 O LYS A 58 7.312 0.522 16.079 1.00 0.00 O ATOM 883 CB LYS A 58 10.127 1.605 17.290 1.00 0.00 C ATOM 884 CG LYS A 58 10.436 0.767 16.080 1.00 0.00 C ATOM 885 CD LYS A 58 11.938 0.667 15.817 1.00 0.00 C ATOM 886 CE LYS A 58 11.980 -0.382 14.734 1.00 0.00 C ATOM 887 NZ LYS A 58 13.332 -0.909 14.450 1.00 0.00 N ATOM 0 H LYS A 58 9.090 3.110 19.034 1.00 0.00 H new ATOM 0 HA LYS A 58 8.538 2.682 16.323 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.804 2.458 17.335 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.287 1.022 18.197 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.025 -0.233 16.218 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.944 1.196 15.207 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.361 1.616 15.487 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.491 0.363 16.705 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.333 -1.211 15.022 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.568 0.041 13.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.277 -1.611 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.955 -0.128 14.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.716 -1.359 15.305 1.00 0.00 H new ATOM 901 N GLU A 59 7.392 0.307 18.318 1.00 0.00 N ATOM 902 CA GLU A 59 6.438 -0.803 18.373 1.00 0.00 C ATOM 903 C GLU A 59 5.102 -0.420 17.718 1.00 0.00 C ATOM 904 O GLU A 59 4.594 -1.179 16.901 1.00 0.00 O ATOM 905 CB GLU A 59 6.249 -1.255 19.829 1.00 0.00 C ATOM 906 CG GLU A 59 5.403 -2.533 19.920 1.00 0.00 C ATOM 907 CD GLU A 59 5.282 -3.006 21.368 1.00 0.00 C ATOM 908 OE1 GLU A 59 6.279 -3.531 21.916 1.00 0.00 O ATOM 909 OE2 GLU A 59 4.192 -2.837 21.970 1.00 0.00 O ATOM 0 H GLU A 59 7.763 0.584 19.227 1.00 0.00 H new ATOM 0 HA GLU A 59 6.839 -1.641 17.804 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.223 -1.430 20.285 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.769 -0.459 20.398 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.410 -2.347 19.510 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.856 -3.317 19.314 1.00 0.00 H new ATOM 916 N GLU A 60 4.584 0.784 17.983 1.00 0.00 N ATOM 917 CA GLU A 60 3.332 1.267 17.387 1.00 0.00 C ATOM 918 C GLU A 60 3.438 1.512 15.881 1.00 0.00 C ATOM 919 O GLU A 60 2.523 1.129 15.150 1.00 0.00 O ATOM 920 CB GLU A 60 2.878 2.567 18.068 1.00 0.00 C ATOM 921 CG GLU A 60 2.538 2.407 19.550 1.00 0.00 C ATOM 922 CD GLU A 60 1.458 1.346 19.785 1.00 0.00 C ATOM 923 OE1 GLU A 60 0.423 1.366 19.074 1.00 0.00 O ATOM 924 OE2 GLU A 60 1.643 0.494 20.687 1.00 0.00 O ATOM 0 H GLU A 60 5.021 1.453 18.617 1.00 0.00 H new ATOM 0 HA GLU A 60 2.600 0.475 17.545 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.666 3.313 17.965 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.003 2.953 17.545 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.439 2.134 20.100 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.198 3.363 19.948 1.00 0.00 H new ATOM 931 N TYR A 61 4.551 2.084 15.409 1.00 0.00 N ATOM 932 CA TYR A 61 4.816 2.256 13.978 1.00 0.00 C ATOM 933 C TYR A 61 4.843 0.882 13.277 1.00 0.00 C ATOM 934 O TYR A 61 4.098 0.630 12.327 1.00 0.00 O ATOM 935 CB TYR A 61 6.126 3.053 13.803 1.00 0.00 C ATOM 936 CG TYR A 61 6.476 3.410 12.367 1.00 0.00 C ATOM 937 CD1 TYR A 61 7.070 2.444 11.534 1.00 0.00 C ATOM 938 CD2 TYR A 61 6.201 4.693 11.853 1.00 0.00 C ATOM 939 CE1 TYR A 61 7.331 2.730 10.181 1.00 0.00 C ATOM 940 CE2 TYR A 61 6.454 4.988 10.497 1.00 0.00 C ATOM 941 CZ TYR A 61 7.003 3.998 9.654 1.00 0.00 C ATOM 942 OH TYR A 61 7.213 4.267 8.341 1.00 0.00 O ATOM 0 H TYR A 61 5.294 2.441 16.010 1.00 0.00 H new ATOM 0 HA TYR A 61 4.019 2.828 13.503 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.054 3.973 14.383 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.946 2.473 14.227 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.328 1.475 11.936 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.794 5.455 12.501 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.781 1.981 9.547 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.228 5.969 10.105 1.00 0.00 H new ATOM 0 HH TYR A 61 6.931 5.185 8.146 1.00 0.00 H new ATOM 952 N GLN A 62 5.619 -0.067 13.807 1.00 0.00 N ATOM 953 CA GLN A 62 5.740 -1.402 13.222 1.00 0.00 C ATOM 954 C GLN A 62 4.428 -2.204 13.284 1.00 0.00 C ATOM 955 O GLN A 62 4.068 -2.834 12.285 1.00 0.00 O ATOM 956 CB GLN A 62 6.929 -2.140 13.834 1.00 0.00 C ATOM 957 CG GLN A 62 8.253 -1.598 13.270 1.00 0.00 C ATOM 958 CD GLN A 62 8.373 -1.627 11.745 1.00 0.00 C ATOM 959 OE1 GLN A 62 8.332 -0.605 11.079 1.00 0.00 O ATOM 960 NE2 GLN A 62 8.492 -2.774 11.117 1.00 0.00 N ATOM 0 H GLN A 62 6.178 0.069 14.649 1.00 0.00 H new ATOM 0 HA GLN A 62 5.939 -1.286 12.157 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.916 -2.026 14.918 1.00 0.00 H new ATOM 0 HB3 GLN A 62 6.848 -3.207 13.625 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.380 -0.570 13.609 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.074 -2.177 13.694 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.529 -3.644 11.647 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.548 -2.795 10.099 1.00 0.00 H new ATOM 969 N LYS A 63 3.684 -2.153 14.401 1.00 0.00 N ATOM 970 CA LYS A 63 2.414 -2.882 14.590 1.00 0.00 C ATOM 971 C LYS A 63 1.253 -2.263 13.812 1.00 0.00 C ATOM 972 O LYS A 63 0.468 -3.010 13.228 1.00 0.00 O ATOM 973 CB LYS A 63 2.071 -2.973 16.090 1.00 0.00 C ATOM 974 CG LYS A 63 3.014 -3.890 16.895 1.00 0.00 C ATOM 975 CD LYS A 63 2.755 -5.392 16.714 1.00 0.00 C ATOM 976 CE LYS A 63 1.477 -5.823 17.443 1.00 0.00 C ATOM 977 NZ LYS A 63 1.266 -7.284 17.349 1.00 0.00 N ATOM 0 H LYS A 63 3.950 -1.596 15.213 1.00 0.00 H new ATOM 0 HA LYS A 63 2.560 -3.885 14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.100 -1.972 16.520 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.049 -3.336 16.197 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.043 -3.675 16.606 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.922 -3.644 17.953 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.668 -5.624 15.653 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.604 -5.959 17.095 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.538 -5.530 18.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.620 -5.302 17.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.393 -7.542 17.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.183 -7.559 16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.073 -7.780 17.779 1.00 0.00 H new ATOM 991 N THR A 64 1.168 -0.933 13.724 1.00 0.00 N ATOM 992 CA THR A 64 0.111 -0.240 12.961 1.00 0.00 C ATOM 993 C THR A 64 0.278 -0.452 11.462 1.00 0.00 C ATOM 994 O THR A 64 -0.702 -0.749 10.778 1.00 0.00 O ATOM 995 CB THR A 64 0.072 1.267 13.259 1.00 0.00 C ATOM 996 OG1 THR A 64 -0.157 1.477 14.635 1.00 0.00 O ATOM 997 CG2 THR A 64 -1.040 2.002 12.509 1.00 0.00 C ATOM 0 H THR A 64 1.827 -0.301 14.178 1.00 0.00 H new ATOM 0 HA THR A 64 -0.833 -0.679 13.284 1.00 0.00 H new ATOM 0 HB THR A 64 1.036 1.659 12.934 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.690 1.406 15.122 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.012 3.061 12.764 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.895 1.883 11.435 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.007 1.586 12.793 1.00 0.00 H new ATOM 1005 N MET A 65 1.507 -0.378 10.935 1.00 0.00 N ATOM 1006 CA MET A 65 1.724 -0.626 9.508 1.00 0.00 C ATOM 1007 C MET A 65 1.393 -2.078 9.136 1.00 0.00 C ATOM 1008 O MET A 65 0.690 -2.301 8.151 1.00 0.00 O ATOM 1009 CB MET A 65 3.135 -0.187 9.089 1.00 0.00 C ATOM 1010 CG MET A 65 3.190 0.077 7.580 1.00 0.00 C ATOM 1011 SD MET A 65 4.592 1.102 7.065 1.00 0.00 S ATOM 1012 CE MET A 65 4.194 1.284 5.310 1.00 0.00 C ATOM 0 H MET A 65 2.349 -0.153 11.464 1.00 0.00 H new ATOM 0 HA MET A 65 1.030 -0.012 8.934 1.00 0.00 H new ATOM 0 HB2 MET A 65 3.418 0.715 9.632 1.00 0.00 H new ATOM 0 HB3 MET A 65 3.857 -0.959 9.355 1.00 0.00 H new ATOM 0 HG2 MET A 65 3.238 -0.877 7.056 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.264 0.563 7.272 1.00 0.00 H new ATOM 0 HE1 MET A 65 5.032 1.753 4.794 1.00 0.00 H new ATOM 0 HE2 MET A 65 4.004 0.302 4.876 1.00 0.00 H new ATOM 0 HE3 MET A 65 3.306 1.907 5.201 1.00 0.00 H new ATOM 1022 N LYS A 66 1.752 -3.050 9.987 1.00 0.00 N ATOM 1023 CA LYS A 66 1.353 -4.459 9.821 1.00 0.00 C ATOM 1024 C LYS A 66 -0.164 -4.647 9.958 1.00 0.00 C ATOM 1025 O LYS A 66 -0.751 -5.350 9.144 1.00 0.00 O ATOM 1026 CB LYS A 66 2.192 -5.334 10.763 1.00 0.00 C ATOM 1027 CG LYS A 66 2.546 -6.728 10.221 1.00 0.00 C ATOM 1028 CD LYS A 66 1.392 -7.739 10.186 1.00 0.00 C ATOM 1029 CE LYS A 66 1.869 -9.142 9.772 1.00 0.00 C ATOM 1030 NZ LYS A 66 2.835 -9.736 10.730 1.00 0.00 N ATOM 0 H LYS A 66 2.328 -2.883 10.812 1.00 0.00 H new ATOM 0 HA LYS A 66 1.567 -4.788 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.117 -4.806 10.995 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.650 -5.454 11.701 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.938 -6.616 9.210 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.349 -7.142 10.830 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.925 -7.790 11.169 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.629 -7.395 9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.005 -9.801 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.332 -9.086 8.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.938 -10.752 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.758 -9.269 10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.487 -9.604 11.701 1.00 0.00 H new ATOM 1044 N SER A 67 -0.825 -3.944 10.888 1.00 0.00 N ATOM 1045 CA SER A 67 -2.290 -3.957 11.062 1.00 0.00 C ATOM 1046 C SER A 67 -3.021 -3.499 9.793 1.00 0.00 C ATOM 1047 O SER A 67 -3.968 -4.161 9.351 1.00 0.00 O ATOM 1048 CB SER A 67 -2.693 -3.062 12.247 1.00 0.00 C ATOM 1049 OG SER A 67 -4.101 -3.026 12.416 1.00 0.00 O ATOM 0 H SER A 67 -0.349 -3.337 11.556 1.00 0.00 H new ATOM 0 HA SER A 67 -2.585 -4.987 11.264 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.225 -3.432 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.319 -2.051 12.085 1.00 0.00 H new ATOM 0 HG SER A 67 -4.325 -2.451 13.177 1.00 0.00 H new ATOM 1055 N LYS A 68 -2.569 -2.402 9.168 1.00 0.00 N ATOM 1056 CA LYS A 68 -3.161 -1.902 7.919 1.00 0.00 C ATOM 1057 C LYS A 68 -2.773 -2.722 6.690 1.00 0.00 C ATOM 1058 O LYS A 68 -3.642 -2.949 5.858 1.00 0.00 O ATOM 1059 CB LYS A 68 -2.888 -0.400 7.727 1.00 0.00 C ATOM 1060 CG LYS A 68 -4.196 0.408 7.630 1.00 0.00 C ATOM 1061 CD LYS A 68 -4.879 0.582 8.995 1.00 0.00 C ATOM 1062 CE LYS A 68 -6.073 1.544 8.923 1.00 0.00 C ATOM 1063 NZ LYS A 68 -7.293 0.917 8.364 1.00 0.00 N ATOM 0 H LYS A 68 -1.789 -1.841 9.511 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.239 -2.030 8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.292 -0.029 8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -2.299 -0.250 6.822 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -3.983 1.389 7.205 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.880 -0.094 6.946 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.217 -0.389 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.154 0.957 9.718 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.290 1.919 9.923 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.802 2.405 8.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.063 1.616 8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.100 0.583 7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.574 0.112 8.960 1.00 0.00 H new ATOM 1077 N ILE A 69 -1.545 -3.238 6.582 1.00 0.00 N ATOM 1078 CA ILE A 69 -1.172 -4.185 5.512 1.00 0.00 C ATOM 1079 C ILE A 69 -2.024 -5.459 5.603 1.00 0.00 C ATOM 1080 O ILE A 69 -2.541 -5.922 4.591 1.00 0.00 O ATOM 1081 CB ILE A 69 0.347 -4.485 5.540 1.00 0.00 C ATOM 1082 CG1 ILE A 69 1.123 -3.239 5.058 1.00 0.00 C ATOM 1083 CG2 ILE A 69 0.720 -5.691 4.655 1.00 0.00 C ATOM 1084 CD1 ILE A 69 2.644 -3.344 5.216 1.00 0.00 C ATOM 0 H ILE A 69 -0.784 -3.018 7.224 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.381 -3.725 4.546 1.00 0.00 H new ATOM 0 HB ILE A 69 0.616 -4.733 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 69 0.890 -3.064 4.008 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.771 -2.369 5.612 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.795 -5.862 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.194 -6.578 5.008 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.435 -5.487 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.111 -2.428 4.854 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.892 -3.487 6.268 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.012 -4.192 4.638 1.00 0.00 H new ATOM 1096 N ASP A 70 -2.255 -5.979 6.808 1.00 0.00 N ATOM 1097 CA ASP A 70 -3.127 -7.128 7.071 1.00 0.00 C ATOM 1098 C ASP A 70 -4.594 -6.870 6.667 1.00 0.00 C ATOM 1099 O ASP A 70 -5.244 -7.767 6.126 1.00 0.00 O ATOM 1100 CB ASP A 70 -2.976 -7.473 8.560 1.00 0.00 C ATOM 1101 CG ASP A 70 -3.919 -8.564 9.046 1.00 0.00 C ATOM 1102 OD1 ASP A 70 -3.802 -9.724 8.583 1.00 0.00 O ATOM 1103 OD2 ASP A 70 -4.734 -8.282 9.955 1.00 0.00 O ATOM 0 H ASP A 70 -1.829 -5.603 7.655 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.827 -7.975 6.455 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -1.949 -7.786 8.746 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.146 -6.572 9.149 1.00 0.00 H new ATOM 1108 N ALA A 71 -5.092 -5.640 6.847 1.00 0.00 N ATOM 1109 CA ALA A 71 -6.409 -5.221 6.358 1.00 0.00 C ATOM 1110 C ALA A 71 -6.430 -5.026 4.829 1.00 0.00 C ATOM 1111 O ALA A 71 -7.350 -5.485 4.159 1.00 0.00 O ATOM 1112 CB ALA A 71 -6.830 -3.942 7.094 1.00 0.00 C ATOM 0 H ALA A 71 -4.587 -4.903 7.340 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.127 -6.014 6.568 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -7.809 -3.622 6.737 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -6.881 -4.138 8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.100 -3.156 6.904 1.00 0.00 H new ATOM 1118 N MET A 72 -5.393 -4.423 4.242 1.00 0.00 N ATOM 1119 CA MET A 72 -5.278 -4.230 2.791 1.00 0.00 C ATOM 1120 C MET A 72 -5.088 -5.561 2.045 1.00 0.00 C ATOM 1121 O MET A 72 -5.584 -5.701 0.928 1.00 0.00 O ATOM 1122 CB MET A 72 -4.149 -3.238 2.478 1.00 0.00 C ATOM 1123 CG MET A 72 -4.489 -1.811 2.928 1.00 0.00 C ATOM 1124 SD MET A 72 -3.114 -0.642 2.751 1.00 0.00 S ATOM 1125 CE MET A 72 -3.869 0.824 3.502 1.00 0.00 C ATOM 0 H MET A 72 -4.600 -4.051 4.765 1.00 0.00 H new ATOM 0 HA MET A 72 -6.217 -3.808 2.431 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.234 -3.564 2.972 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.951 -3.242 1.406 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.338 -1.450 2.348 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.802 -1.834 3.972 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.159 1.651 3.480 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.764 1.099 2.944 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.139 0.605 4.535 1.00 0.00 H new ATOM 1135 N ARG A 73 -4.469 -6.578 2.668 1.00 0.00 N ATOM 1136 CA ARG A 73 -4.490 -7.976 2.197 1.00 0.00 C ATOM 1137 C ARG A 73 -5.923 -8.525 2.160 1.00 0.00 C ATOM 1138 O ARG A 73 -6.275 -9.180 1.180 1.00 0.00 O ATOM 1139 CB ARG A 73 -3.600 -8.871 3.090 1.00 0.00 C ATOM 1140 CG ARG A 73 -2.084 -8.787 2.834 1.00 0.00 C ATOM 1141 CD ARG A 73 -1.649 -9.304 1.454 1.00 0.00 C ATOM 1142 NE ARG A 73 -1.938 -10.737 1.246 1.00 0.00 N ATOM 1143 CZ ARG A 73 -1.132 -11.772 1.403 1.00 0.00 C ATOM 1144 NH1 ARG A 73 0.095 -11.685 1.808 1.00 0.00 N ATOM 1145 NH2 ARG A 73 -1.525 -12.975 1.128 1.00 0.00 N ATOM 0 H ARG A 73 -3.932 -6.452 3.526 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.091 -7.989 1.183 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.787 -8.611 4.132 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.913 -9.907 2.959 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.766 -7.750 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.565 -9.358 3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.153 -8.724 0.681 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.579 -9.135 1.332 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.886 -10.957 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.496 -10.773 2.029 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.661 -12.528 1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.471 -13.136 0.784 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -0.888 -13.761 1.256 1.00 0.00 H new ATOM 1159 N SER A 74 -6.768 -8.211 3.146 1.00 0.00 N ATOM 1160 CA SER A 74 -8.204 -8.543 3.102 1.00 0.00 C ATOM 1161 C SER A 74 -8.919 -7.814 1.957 1.00 0.00 C ATOM 1162 O SER A 74 -9.702 -8.441 1.242 1.00 0.00 O ATOM 1163 CB SER A 74 -8.948 -8.204 4.401 1.00 0.00 C ATOM 1164 OG SER A 74 -8.334 -8.729 5.562 1.00 0.00 O ATOM 0 H SER A 74 -6.483 -7.722 3.995 1.00 0.00 H new ATOM 0 HA SER A 74 -8.231 -9.622 2.950 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.019 -7.120 4.497 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.967 -8.585 4.336 1.00 0.00 H new ATOM 0 HG SER A 74 -7.420 -8.382 5.634 1.00 0.00 H new ATOM 1170 N THR A 75 -8.622 -6.526 1.733 1.00 0.00 N ATOM 1171 CA THR A 75 -9.205 -5.727 0.638 1.00 0.00 C ATOM 1172 C THR A 75 -8.826 -6.300 -0.734 1.00 0.00 C ATOM 1173 O THR A 75 -9.707 -6.571 -1.548 1.00 0.00 O ATOM 1174 CB THR A 75 -8.787 -4.244 0.721 1.00 0.00 C ATOM 1175 OG1 THR A 75 -8.872 -3.730 2.034 1.00 0.00 O ATOM 1176 CG2 THR A 75 -9.671 -3.357 -0.151 1.00 0.00 C ATOM 0 H THR A 75 -7.965 -6.002 2.310 1.00 0.00 H new ATOM 0 HA THR A 75 -10.287 -5.782 0.755 1.00 0.00 H new ATOM 0 HB THR A 75 -7.753 -4.226 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.596 -2.790 2.036 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.344 -2.321 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.594 -3.676 -1.190 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.707 -3.439 0.178 1.00 0.00 H new ATOM 1184 N ARG A 76 -7.540 -6.605 -0.955 1.00 0.00 N ATOM 1185 CA ARG A 76 -6.995 -7.361 -2.099 1.00 0.00 C ATOM 1186 C ARG A 76 -7.748 -8.672 -2.323 1.00 0.00 C ATOM 1187 O ARG A 76 -8.150 -8.988 -3.438 1.00 0.00 O ATOM 1188 CB ARG A 76 -5.509 -7.598 -1.803 1.00 0.00 C ATOM 1189 CG ARG A 76 -4.981 -8.883 -2.422 1.00 0.00 C ATOM 1190 CD ARG A 76 -3.485 -8.957 -2.226 1.00 0.00 C ATOM 1191 NE ARG A 76 -3.069 -10.358 -2.056 1.00 0.00 N ATOM 1192 CZ ARG A 76 -2.083 -10.975 -2.668 1.00 0.00 C ATOM 1193 NH1 ARG A 76 -1.511 -10.471 -3.714 1.00 0.00 N ATOM 1194 NH2 ARG A 76 -1.667 -12.112 -2.210 1.00 0.00 N ATOM 0 H ARG A 76 -6.808 -6.316 -0.306 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.115 -6.798 -3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.930 -6.755 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.359 -7.632 -0.724 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.462 -9.746 -1.962 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.222 -8.913 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.975 -8.519 -3.084 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.195 -8.374 -1.352 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.606 -10.912 -1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.823 -9.573 -4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.748 -10.972 -4.169 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.104 -12.519 -1.383 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.903 -12.601 -2.676 1.00 0.00 H new ATOM 1208 N ASP A 77 -7.936 -9.429 -1.250 1.00 0.00 N ATOM 1209 CA ASP A 77 -8.549 -10.751 -1.292 1.00 0.00 C ATOM 1210 C ASP A 77 -10.012 -10.630 -1.743 1.00 0.00 C ATOM 1211 O ASP A 77 -10.474 -11.408 -2.576 1.00 0.00 O ATOM 1212 CB ASP A 77 -8.372 -11.405 0.086 1.00 0.00 C ATOM 1213 CG ASP A 77 -9.182 -12.682 0.230 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -8.708 -13.748 -0.234 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -10.313 -12.603 0.757 1.00 0.00 O ATOM 0 H ASP A 77 -7.663 -9.138 -0.311 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.067 -11.399 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.317 -11.627 0.247 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.671 -10.699 0.861 1.00 0.00 H new ATOM 1220 N LYS A 78 -10.697 -9.568 -1.306 1.00 0.00 N ATOM 1221 CA LYS A 78 -12.060 -9.217 -1.714 1.00 0.00 C ATOM 1222 C LYS A 78 -12.159 -8.790 -3.167 1.00 0.00 C ATOM 1223 O LYS A 78 -12.991 -9.310 -3.911 1.00 0.00 O ATOM 1224 CB LYS A 78 -12.561 -8.101 -0.780 1.00 0.00 C ATOM 1225 CG LYS A 78 -14.031 -8.218 -0.375 1.00 0.00 C ATOM 1226 CD LYS A 78 -14.979 -8.070 -1.567 1.00 0.00 C ATOM 1227 CE LYS A 78 -16.391 -7.861 -1.039 1.00 0.00 C ATOM 1228 NZ LYS A 78 -17.358 -7.732 -2.144 1.00 0.00 N ATOM 0 H LYS A 78 -10.304 -8.907 -0.636 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.685 -10.106 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -11.949 -8.099 0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.409 -7.140 -1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -14.198 -9.184 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -14.262 -7.454 0.367 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -14.678 -7.226 -2.188 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -14.938 -8.959 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -16.672 -8.700 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -16.422 -6.965 -0.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -18.214 -7.250 -1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -16.933 -7.178 -2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -17.611 -8.677 -2.496 1.00 0.00 H new ATOM 1242 N ARG A 79 -11.240 -7.934 -3.610 1.00 0.00 N ATOM 1243 CA ARG A 79 -11.079 -7.602 -5.039 1.00 0.00 C ATOM 1244 C ARG A 79 -10.889 -8.862 -5.897 1.00 0.00 C ATOM 1245 O ARG A 79 -11.344 -8.869 -7.042 1.00 0.00 O ATOM 1246 CB ARG A 79 -9.908 -6.623 -5.246 1.00 0.00 C ATOM 1247 CG ARG A 79 -10.087 -5.236 -4.610 1.00 0.00 C ATOM 1248 CD ARG A 79 -11.165 -4.384 -5.299 1.00 0.00 C ATOM 1249 NE ARG A 79 -11.068 -2.962 -4.914 1.00 0.00 N ATOM 1250 CZ ARG A 79 -11.560 -1.928 -5.572 1.00 0.00 C ATOM 1251 NH1 ARG A 79 -12.281 -2.014 -6.649 1.00 0.00 N ATOM 1252 NH2 ARG A 79 -11.314 -0.727 -5.161 1.00 0.00 N ATOM 0 H ARG A 79 -10.585 -7.449 -2.997 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.998 -7.116 -5.366 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.003 -7.075 -4.841 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.749 -6.495 -6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -10.347 -5.357 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.137 -4.703 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.065 -4.476 -6.380 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.152 -4.765 -5.037 1.00 0.00 H new ATOM 0 HE ARG A 79 -10.568 -2.757 -4.049 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.503 -2.928 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.626 -1.167 -7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.741 -0.580 -4.330 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.693 0.073 -5.668 1.00 0.00 H new ATOM 1266 N LYS A 80 -10.323 -9.957 -5.364 1.00 0.00 N ATOM 1267 CA LYS A 80 -10.165 -11.221 -6.121 1.00 0.00 C ATOM 1268 C LYS A 80 -11.499 -11.970 -6.228 1.00 0.00 C ATOM 1269 O LYS A 80 -11.864 -12.433 -7.306 1.00 0.00 O ATOM 1270 CB LYS A 80 -9.022 -12.073 -5.534 1.00 0.00 C ATOM 1271 CG LYS A 80 -8.664 -13.286 -6.417 1.00 0.00 C ATOM 1272 CD LYS A 80 -7.544 -14.122 -5.777 1.00 0.00 C ATOM 1273 CE LYS A 80 -7.304 -15.467 -6.481 1.00 0.00 C ATOM 1274 NZ LYS A 80 -6.507 -15.350 -7.726 1.00 0.00 N ATOM 0 H LYS A 80 -9.965 -9.998 -4.410 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.872 -10.987 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.138 -11.448 -5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.309 -12.424 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.548 -13.907 -6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.349 -12.943 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.619 -13.545 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -7.792 -14.307 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.793 -16.141 -5.794 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.266 -15.921 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.383 -16.292 -8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.003 -14.731 -8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.575 -14.944 -7.505 1.00 0.00 H new ATOM 1288 N ARG A 81 -12.299 -11.952 -5.156 1.00 0.00 N ATOM 1289 CA ARG A 81 -13.662 -12.518 -5.085 1.00 0.00 C ATOM 1290 C ARG A 81 -14.654 -11.798 -5.995 1.00 0.00 C ATOM 1291 O ARG A 81 -15.611 -12.399 -6.474 1.00 0.00 O ATOM 1292 CB ARG A 81 -14.177 -12.511 -3.631 1.00 0.00 C ATOM 1293 CG ARG A 81 -13.324 -13.278 -2.608 1.00 0.00 C ATOM 1294 CD ARG A 81 -13.282 -14.795 -2.817 1.00 0.00 C ATOM 1295 NE ARG A 81 -14.614 -15.393 -2.655 1.00 0.00 N ATOM 1296 CZ ARG A 81 -15.253 -15.620 -1.526 1.00 0.00 C ATOM 1297 NH1 ARG A 81 -14.699 -15.473 -0.361 1.00 0.00 N ATOM 1298 NH2 ARG A 81 -16.498 -15.971 -1.561 1.00 0.00 N ATOM 0 H ARG A 81 -12.008 -11.527 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.589 -13.545 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -14.260 -11.475 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.183 -12.930 -3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -12.305 -12.892 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.708 -13.073 -1.609 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -12.900 -15.017 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -12.590 -15.244 -2.104 1.00 0.00 H new ATOM 0 HE ARG A 81 -15.098 -15.662 -3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -13.728 -15.169 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -15.235 -15.661 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -16.975 -16.069 -2.457 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -17.002 -16.149 -0.692 1.00 0.00 H new ATOM 1312 N GLU A 82 -14.397 -10.528 -6.262 1.00 0.00 N ATOM 1313 CA GLU A 82 -15.099 -9.712 -7.264 1.00 0.00 C ATOM 1314 C GLU A 82 -14.513 -9.847 -8.682 1.00 0.00 C ATOM 1315 O GLU A 82 -15.214 -9.567 -9.656 1.00 0.00 O ATOM 1316 CB GLU A 82 -15.136 -8.242 -6.814 1.00 0.00 C ATOM 1317 CG GLU A 82 -16.160 -8.041 -5.692 1.00 0.00 C ATOM 1318 CD GLU A 82 -16.394 -6.563 -5.366 1.00 0.00 C ATOM 1319 OE1 GLU A 82 -16.892 -5.807 -6.237 1.00 0.00 O ATOM 1320 OE2 GLU A 82 -16.208 -6.168 -4.191 1.00 0.00 O ATOM 0 H GLU A 82 -13.668 -10.009 -5.773 1.00 0.00 H new ATOM 0 HA GLU A 82 -16.117 -10.095 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.148 -7.938 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -15.388 -7.604 -7.661 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -17.106 -8.499 -5.982 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.817 -8.557 -4.795 1.00 0.00 H new ATOM 1327 N SER A 83 -13.277 -10.336 -8.827 1.00 0.00 N ATOM 1328 CA SER A 83 -12.619 -10.534 -10.138 1.00 0.00 C ATOM 1329 C SER A 83 -12.952 -11.890 -10.771 1.00 0.00 C ATOM 1330 O SER A 83 -13.138 -11.971 -11.984 1.00 0.00 O ATOM 1331 CB SER A 83 -11.111 -10.315 -9.985 1.00 0.00 C ATOM 1332 OG SER A 83 -10.340 -10.761 -11.087 1.00 0.00 O ATOM 0 H SER A 83 -12.694 -10.610 -8.036 1.00 0.00 H new ATOM 0 HA SER A 83 -13.012 -9.794 -10.835 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.924 -9.252 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.771 -10.830 -9.087 1.00 0.00 H new ATOM 0 HG SER A 83 -9.391 -10.586 -10.915 1.00 0.00 H new ATOM 1338 N VAL A 84 -13.133 -12.941 -9.963 1.00 0.00 N ATOM 1339 CA VAL A 84 -13.722 -14.228 -10.403 1.00 0.00 C ATOM 1340 C VAL A 84 -15.175 -14.418 -9.940 1.00 0.00 C ATOM 1341 O VAL A 84 -15.715 -15.528 -9.985 1.00 0.00 O ATOM 1342 CB VAL A 84 -12.807 -15.427 -10.098 1.00 0.00 C ATOM 1343 CG1 VAL A 84 -11.478 -15.282 -10.846 1.00 0.00 C ATOM 1344 CG2 VAL A 84 -12.540 -15.631 -8.606 1.00 0.00 C ATOM 0 H VAL A 84 -12.875 -12.930 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 84 -13.786 -14.181 -11.490 1.00 0.00 H new ATOM 0 HB VAL A 84 -13.342 -16.312 -10.443 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.839 -16.136 -10.622 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.667 -15.241 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.981 -14.365 -10.530 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -11.888 -16.494 -8.468 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -12.058 -14.743 -8.198 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.483 -15.802 -8.088 1.00 0.00 H new ATOM 1354 N GLY A 85 -15.815 -13.323 -9.510 1.00 0.00 N ATOM 1355 CA GLY A 85 -17.264 -13.168 -9.328 1.00 0.00 C ATOM 1356 C GLY A 85 -17.945 -14.064 -8.284 1.00 0.00 C ATOM 1357 O GLY A 85 -19.172 -14.179 -8.316 1.00 0.00 O ATOM 0 H GLY A 85 -15.306 -12.473 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -17.461 -12.130 -9.060 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.745 -13.346 -10.290 1.00 0.00 H new ATOM 1361 N SER A 86 -17.182 -14.728 -7.408 1.00 0.00 N ATOM 1362 CA SER A 86 -17.652 -15.703 -6.409 1.00 0.00 C ATOM 1363 C SER A 86 -16.818 -15.661 -5.139 1.00 0.00 C ATOM 1364 O SER A 86 -15.647 -16.092 -5.164 1.00 0.00 O ATOM 1365 CB SER A 86 -17.639 -17.112 -7.001 1.00 0.00 C ATOM 1366 OG SER A 86 -18.745 -17.234 -7.872 1.00 0.00 O ATOM 1367 OXT SER A 86 -17.346 -15.167 -4.118 1.00 0.00 O ATOM 0 H SER A 86 -16.171 -14.596 -7.372 1.00 0.00 H new ATOM 0 HA SER A 86 -18.673 -15.432 -6.141 1.00 0.00 H new ATOM 0 HB2 SER A 86 -16.709 -17.289 -7.541 1.00 0.00 H new ATOM 0 HB3 SER A 86 -17.695 -17.858 -6.208 1.00 0.00 H new ATOM 0 HG SER A 86 -18.755 -18.132 -8.265 1.00 0.00 H new TER 1373 SER A 86