USER MOD reduce.3.24.130724 H: found=0, std=0, add=893, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 896 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: C 81 MET CE :methyl -169:sc= 0 (180deg=0) USER MOD Set 1.2: I 154 MET CE :methyl -179:sc= 0 (180deg=-0.000173) USER MOD Set 2.1: C 69 SER OG : rot -75:sc= 0.776 USER MOD Set 2.2: C 71 THR OG1 : rot -28:sc= 0.233 USER MOD Single : C 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 1 MET N :NH3+ 170:sc= -0.126 (180deg=-0.302) USER MOD Single : C 5 TYR OH : rot -130:sc= -2.36! USER MOD Single : C 6 LYS NZ :NH3+ -161:sc= -0.0045 (180deg=-0.289) USER MOD Single : C 11 GLN : amide:sc= -0.0969 K(o=-0.097,f=-1.4!) USER MOD Single : C 13 THR OG1 : rot -151:sc= -0.672 USER MOD Single : C 16 GLN : amide:sc= -0.279 K(o=-0.28,f=-0.8) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc=-0.00257 K(o=-0.0026,f=-0.86) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.647 USER MOD Single : C 37 SER OG : rot -45:sc= 0.96 USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -124:sc= -1.64 (180deg=-3.65!) USER MOD Single : C 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 47 MET CE :methyl -171:sc= 0 (180deg=-0.0556) USER MOD Single : C 50 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.43) USER MOD Single : C 51 ASN : amide:sc= -0.921 K(o=-0.92,f=-4.2!) USER MOD Single : C 53 THR OG1 : rot 180:sc= -0.236 USER MOD Single : C 58 GLN : amide:sc= -3.1! C(o=-3.1!,f=-4.5!) USER MOD Single : C 60 MET CE :methyl -130:sc= -0.0336 (180deg=-0.405) USER MOD Single : C 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -26:sc= -2.23 USER MOD Single : C 85 MET CE :methyl -167:sc= -0.019 (180deg=-0.247) USER MOD Single : C 86 LYS NZ :NH3+ 148:sc= -0.219 (180deg=-1.07) USER MOD Single : C 89 SER OG : rot 180:sc= -0.0709 USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 155 GLN : amide:sc= 0.0159 X(o=0.016,f=0) USER MOD Single : I 162 HIS : no HE2:sc= -0.772 K(o=-0.77,f=-3.8) USER MOD Single : I 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 165 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET C 1 23.476 2.806 -3.628 1.00 0.00 N ATOM 2 CA MET C 1 24.434 2.372 -2.573 1.00 0.00 C ATOM 3 C MET C 1 23.762 2.489 -1.208 1.00 0.00 C ATOM 4 O MET C 1 24.428 2.482 -0.173 1.00 0.00 O ATOM 5 CB MET C 1 25.674 3.268 -2.617 1.00 0.00 C ATOM 6 CG MET C 1 26.855 2.484 -3.192 1.00 0.00 C ATOM 7 SD MET C 1 26.469 1.986 -4.889 1.00 0.00 S ATOM 8 CE MET C 1 28.016 1.113 -5.228 1.00 0.00 C ATOM 0 H1 MET C 1 23.975 2.891 -4.536 1.00 0.00 H new ATOM 0 H2 MET C 1 22.714 2.103 -3.716 1.00 0.00 H new ATOM 0 H3 MET C 1 23.069 3.727 -3.369 1.00 0.00 H new ATOM 0 HA MET C 1 24.731 1.337 -2.744 1.00 0.00 H new ATOM 0 HB2 MET C 1 25.477 4.149 -3.229 1.00 0.00 H new ATOM 0 HB3 MET C 1 25.914 3.623 -1.615 1.00 0.00 H new ATOM 0 HG2 MET C 1 27.756 3.097 -3.176 1.00 0.00 H new ATOM 0 HG3 MET C 1 27.057 1.605 -2.579 1.00 0.00 H new ATOM 0 HE1 MET C 1 27.995 0.715 -6.243 1.00 0.00 H new ATOM 0 HE2 MET C 1 28.853 1.803 -5.126 1.00 0.00 H new ATOM 0 HE3 MET C 1 28.134 0.293 -4.520 1.00 0.00 H new ATOM 20 N ASP C 2 22.437 2.598 -1.214 1.00 0.00 N ATOM 21 CA ASP C 2 21.686 2.723 0.029 1.00 0.00 C ATOM 22 C ASP C 2 21.888 1.488 0.903 1.00 0.00 C ATOM 23 O ASP C 2 22.029 1.594 2.122 1.00 0.00 O ATOM 24 CB ASP C 2 20.197 2.888 -0.278 1.00 0.00 C ATOM 25 CG ASP C 2 19.951 4.231 -0.956 1.00 0.00 C ATOM 26 OD1 ASP C 2 19.741 5.202 -0.248 1.00 0.00 O1- ATOM 27 OD2 ASP C 2 19.979 4.269 -2.175 1.00 0.00 O ATOM 0 H ASP C 2 21.866 2.602 -2.059 1.00 0.00 H new ATOM 0 HA ASP C 2 22.049 3.600 0.565 1.00 0.00 H new ATOM 0 HB2 ASP C 2 19.858 2.078 -0.924 1.00 0.00 H new ATOM 0 HB3 ASP C 2 19.618 2.825 0.643 1.00 0.00 H new ATOM 32 N ASP C 3 21.899 0.317 0.272 1.00 0.00 N ATOM 33 CA ASP C 3 22.083 -0.931 1.002 1.00 0.00 C ATOM 34 C ASP C 3 23.450 -0.953 1.679 1.00 0.00 C ATOM 35 O ASP C 3 23.578 -1.375 2.828 1.00 0.00 O ATOM 36 CB ASP C 3 21.959 -2.120 0.044 1.00 0.00 C ATOM 37 CG ASP C 3 21.951 -3.426 0.832 1.00 0.00 C ATOM 38 OD1 ASP C 3 22.268 -3.385 2.010 1.00 0.00 O ATOM 39 OD2 ASP C 3 21.623 -4.446 0.249 1.00 0.00 O1- ATOM 0 H ASP C 3 21.784 0.207 -0.736 1.00 0.00 H new ATOM 0 HA ASP C 3 21.310 -1.005 1.767 1.00 0.00 H new ATOM 0 HB2 ASP C 3 21.043 -2.033 -0.540 1.00 0.00 H new ATOM 0 HB3 ASP C 3 22.789 -2.117 -0.662 1.00 0.00 H new ATOM 44 N ILE C 4 24.469 -0.497 0.957 1.00 0.00 N ATOM 45 CA ILE C 4 25.827 -0.470 1.494 1.00 0.00 C ATOM 46 C ILE C 4 25.917 0.497 2.667 1.00 0.00 C ATOM 47 O ILE C 4 26.550 0.203 3.678 1.00 0.00 O ATOM 48 CB ILE C 4 26.815 -0.049 0.406 1.00 0.00 C ATOM 49 CG1 ILE C 4 26.758 -1.045 -0.761 1.00 0.00 C ATOM 50 CG2 ILE C 4 28.235 0.000 0.979 1.00 0.00 C ATOM 51 CD1 ILE C 4 27.116 -2.463 -0.294 1.00 0.00 C ATOM 0 H ILE C 4 24.382 -0.143 0.004 1.00 0.00 H new ATOM 0 HA ILE C 4 26.079 -1.472 1.841 1.00 0.00 H new ATOM 0 HB ILE C 4 26.544 0.943 0.044 1.00 0.00 H new ATOM 0 HG12 ILE C 4 25.759 -1.043 -1.196 1.00 0.00 H new ATOM 0 HG13 ILE C 4 27.448 -0.732 -1.545 1.00 0.00 H new ATOM 0 HG21 ILE C 4 28.933 0.301 0.197 1.00 0.00 H new ATOM 0 HG22 ILE C 4 28.273 0.720 1.796 1.00 0.00 H new ATOM 0 HG23 ILE C 4 28.511 -0.986 1.352 1.00 0.00 H new ATOM 0 HD11 ILE C 4 27.068 -3.148 -1.141 1.00 0.00 H new ATOM 0 HD12 ILE C 4 28.125 -2.466 0.118 1.00 0.00 H new ATOM 0 HD13 ILE C 4 26.410 -2.783 0.472 1.00 0.00 H new ATOM 63 N TYR C 5 25.280 1.650 2.526 1.00 0.00 N ATOM 64 CA TYR C 5 25.298 2.652 3.581 1.00 0.00 C ATOM 65 C TYR C 5 24.718 2.089 4.871 1.00 0.00 C ATOM 66 O TYR C 5 25.330 2.201 5.933 1.00 0.00 O ATOM 67 CB TYR C 5 24.493 3.879 3.147 1.00 0.00 C ATOM 68 CG TYR C 5 24.327 4.811 4.323 1.00 0.00 C ATOM 69 CD1 TYR C 5 25.447 5.444 4.874 1.00 0.00 C ATOM 70 CD2 TYR C 5 23.055 5.047 4.859 1.00 0.00 C ATOM 71 CE1 TYR C 5 25.296 6.309 5.962 1.00 0.00 C ATOM 72 CE2 TYR C 5 22.904 5.912 5.949 1.00 0.00 C ATOM 73 CZ TYR C 5 24.024 6.544 6.500 1.00 0.00 C ATOM 74 OH TYR C 5 23.874 7.397 7.575 1.00 0.00 O ATOM 0 H TYR C 5 24.747 1.914 1.697 1.00 0.00 H new ATOM 0 HA TYR C 5 26.333 2.941 3.763 1.00 0.00 H new ATOM 0 HB2 TYR C 5 25.002 4.392 2.331 1.00 0.00 H new ATOM 0 HB3 TYR C 5 23.517 3.573 2.771 1.00 0.00 H new ATOM 0 HD1 TYR C 5 26.428 5.264 4.459 1.00 0.00 H new ATOM 0 HD2 TYR C 5 22.190 4.561 4.431 1.00 0.00 H new ATOM 0 HE1 TYR C 5 26.161 6.796 6.388 1.00 0.00 H new ATOM 0 HE2 TYR C 5 21.923 6.091 6.364 1.00 0.00 H new ATOM 0 HH TYR C 5 23.339 6.958 8.269 1.00 0.00 H new ATOM 84 N LYS C 6 23.545 1.476 4.775 1.00 0.00 N ATOM 85 CA LYS C 6 22.910 0.897 5.946 1.00 0.00 C ATOM 86 C LYS C 6 23.789 -0.199 6.539 1.00 0.00 C ATOM 87 O LYS C 6 24.018 -0.238 7.748 1.00 0.00 O ATOM 88 CB LYS C 6 21.548 0.320 5.552 1.00 0.00 C ATOM 89 CG LYS C 6 20.874 -0.296 6.780 1.00 0.00 C ATOM 90 CD LYS C 6 19.469 -0.778 6.410 1.00 0.00 C ATOM 91 CE LYS C 6 18.839 -1.485 7.615 1.00 0.00 C ATOM 92 NZ LYS C 6 19.514 -2.798 7.826 1.00 0.00 N1+ ATOM 0 H LYS C 6 23.021 1.369 3.907 1.00 0.00 H new ATOM 0 HA LYS C 6 22.772 1.674 6.698 1.00 0.00 H new ATOM 0 HB2 LYS C 6 20.917 1.104 5.134 1.00 0.00 H new ATOM 0 HB3 LYS C 6 21.673 -0.436 4.776 1.00 0.00 H new ATOM 0 HG2 LYS C 6 21.469 -1.130 7.153 1.00 0.00 H new ATOM 0 HG3 LYS C 6 20.817 0.439 7.583 1.00 0.00 H new ATOM 0 HD2 LYS C 6 18.851 0.067 6.106 1.00 0.00 H new ATOM 0 HD3 LYS C 6 19.518 -1.459 5.560 1.00 0.00 H new ATOM 0 HE2 LYS C 6 18.937 -0.866 8.506 1.00 0.00 H new ATOM 0 HE3 LYS C 6 17.773 -1.635 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 18.908 -3.410 8.408 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 19.684 -3.253 6.906 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 20.422 -2.648 8.311 1.00 0.00 H new ATOM 106 N ALA C 7 24.277 -1.082 5.680 1.00 0.00 N ATOM 107 CA ALA C 7 25.132 -2.173 6.125 1.00 0.00 C ATOM 108 C ALA C 7 26.443 -1.637 6.682 1.00 0.00 C ATOM 109 O ALA C 7 26.977 -2.166 7.656 1.00 0.00 O ATOM 110 CB ALA C 7 25.419 -3.129 4.964 1.00 0.00 C ATOM 0 H ALA C 7 24.097 -1.065 4.676 1.00 0.00 H new ATOM 0 HA ALA C 7 24.610 -2.713 6.915 1.00 0.00 H new ATOM 0 HB1 ALA C 7 26.059 -3.940 5.310 1.00 0.00 H new ATOM 0 HB2 ALA C 7 24.481 -3.541 4.591 1.00 0.00 H new ATOM 0 HB3 ALA C 7 25.921 -2.587 4.162 1.00 0.00 H new ATOM 116 N ALA C 8 26.963 -0.588 6.050 1.00 0.00 N ATOM 117 CA ALA C 8 28.223 -0.002 6.482 1.00 0.00 C ATOM 118 C ALA C 8 28.105 0.555 7.888 1.00 0.00 C ATOM 119 O ALA C 8 28.982 0.348 8.716 1.00 0.00 O ATOM 120 CB ALA C 8 28.637 1.113 5.522 1.00 0.00 C ATOM 0 H ALA C 8 26.534 -0.132 5.245 1.00 0.00 H new ATOM 0 HA ALA C 8 28.982 -0.785 6.480 1.00 0.00 H new ATOM 0 HB1 ALA C 8 29.581 1.546 5.853 1.00 0.00 H new ATOM 0 HB2 ALA C 8 28.757 0.704 4.519 1.00 0.00 H new ATOM 0 HB3 ALA C 8 27.868 1.886 5.509 1.00 0.00 H new ATOM 126 N VAL C 9 27.012 1.260 8.143 1.00 0.00 N ATOM 127 CA VAL C 9 26.781 1.849 9.455 1.00 0.00 C ATOM 128 C VAL C 9 26.481 0.777 10.498 1.00 0.00 C ATOM 129 O VAL C 9 26.968 0.845 11.624 1.00 0.00 O ATOM 130 CB VAL C 9 25.616 2.826 9.376 1.00 0.00 C ATOM 131 CG1 VAL C 9 25.247 3.302 10.787 1.00 0.00 C ATOM 132 CG2 VAL C 9 26.012 4.033 8.526 1.00 0.00 C ATOM 0 H VAL C 9 26.274 1.438 7.462 1.00 0.00 H new ATOM 0 HA VAL C 9 27.687 2.374 9.758 1.00 0.00 H new ATOM 0 HB VAL C 9 24.760 2.326 8.922 1.00 0.00 H new ATOM 0 HG11 VAL C 9 24.413 4.001 10.729 1.00 0.00 H new ATOM 0 HG12 VAL C 9 24.960 2.445 11.397 1.00 0.00 H new ATOM 0 HG13 VAL C 9 26.105 3.798 11.240 1.00 0.00 H new ATOM 0 HG21 VAL C 9 25.176 4.730 8.472 1.00 0.00 H new ATOM 0 HG22 VAL C 9 26.870 4.530 8.978 1.00 0.00 H new ATOM 0 HG23 VAL C 9 26.273 3.701 7.521 1.00 0.00 H new ATOM 142 N GLU C 10 25.665 -0.200 10.120 1.00 0.00 N ATOM 143 CA GLU C 10 25.298 -1.272 11.036 1.00 0.00 C ATOM 144 C GLU C 10 26.386 -2.339 11.080 1.00 0.00 C ATOM 145 O GLU C 10 26.426 -3.157 11.999 1.00 0.00 O ATOM 146 CB GLU C 10 23.977 -1.900 10.592 1.00 0.00 C ATOM 147 CG GLU C 10 22.878 -0.834 10.585 1.00 0.00 C ATOM 148 CD GLU C 10 22.653 -0.297 11.994 1.00 0.00 C ATOM 149 OE1 GLU C 10 22.824 -1.059 12.931 1.00 0.00 O ATOM 150 OE2 GLU C 10 22.319 0.870 12.115 1.00 0.00 O1- ATOM 0 H GLU C 10 25.248 -0.272 9.192 1.00 0.00 H new ATOM 0 HA GLU C 10 25.184 -0.851 12.035 1.00 0.00 H new ATOM 0 HB2 GLU C 10 24.085 -2.332 9.597 1.00 0.00 H new ATOM 0 HB3 GLU C 10 23.705 -2.713 11.265 1.00 0.00 H new ATOM 0 HG2 GLU C 10 23.157 -0.018 9.918 1.00 0.00 H new ATOM 0 HG3 GLU C 10 21.952 -1.259 10.198 1.00 0.00 H new ATOM 157 N GLN C 11 27.264 -2.324 10.079 1.00 0.00 N ATOM 158 CA GLN C 11 28.352 -3.296 10.011 1.00 0.00 C ATOM 159 C GLN C 11 29.697 -2.598 9.824 1.00 0.00 C ATOM 160 O GLN C 11 30.598 -3.133 9.176 1.00 0.00 O ATOM 161 CB GLN C 11 28.112 -4.270 8.859 1.00 0.00 C ATOM 162 CG GLN C 11 28.613 -5.658 9.255 1.00 0.00 C ATOM 163 CD GLN C 11 28.838 -6.505 8.007 1.00 0.00 C ATOM 164 OE1 GLN C 11 29.293 -5.992 6.985 1.00 0.00 O ATOM 165 NE2 GLN C 11 28.552 -7.778 8.031 1.00 0.00 N ATOM 0 H GLN C 11 27.244 -1.655 9.310 1.00 0.00 H new ATOM 0 HA GLN C 11 28.376 -3.846 10.952 1.00 0.00 H new ATOM 0 HB2 GLN C 11 27.050 -4.310 8.617 1.00 0.00 H new ATOM 0 HB3 GLN C 11 28.630 -3.926 7.964 1.00 0.00 H new ATOM 0 HG2 GLN C 11 29.542 -5.572 9.819 1.00 0.00 H new ATOM 0 HG3 GLN C 11 27.888 -6.143 9.908 1.00 0.00 H new ATOM 0 HE21 GLN C 11 28.175 -8.200 8.880 1.00 0.00 H new ATOM 0 HE22 GLN C 11 28.705 -8.351 7.201 1.00 0.00 H new ATOM 174 N LEU C 12 29.827 -1.407 10.402 1.00 0.00 N ATOM 175 CA LEU C 12 31.064 -0.652 10.308 1.00 0.00 C ATOM 176 C LEU C 12 32.210 -1.398 10.987 1.00 0.00 C ATOM 177 O LEU C 12 32.006 -2.430 11.631 1.00 0.00 O ATOM 178 CB LEU C 12 30.887 0.729 10.950 1.00 0.00 C ATOM 179 CG LEU C 12 30.836 0.612 12.477 1.00 0.00 C ATOM 180 CD1 LEU C 12 30.422 1.959 13.064 1.00 0.00 C ATOM 181 CD2 LEU C 12 29.809 -0.437 12.888 1.00 0.00 C ATOM 0 H LEU C 12 29.090 -0.948 10.938 1.00 0.00 H new ATOM 0 HA LEU C 12 31.310 -0.530 9.253 1.00 0.00 H new ATOM 0 HB2 LEU C 12 31.711 1.380 10.657 1.00 0.00 H new ATOM 0 HB3 LEU C 12 29.970 1.191 10.585 1.00 0.00 H new ATOM 0 HG LEU C 12 31.819 0.320 12.846 1.00 0.00 H new ATOM 0 HD11 LEU C 12 30.383 1.886 14.151 1.00 0.00 H new ATOM 0 HD12 LEU C 12 31.148 2.719 12.778 1.00 0.00 H new ATOM 0 HD13 LEU C 12 29.439 2.235 12.683 1.00 0.00 H new ATOM 0 HD21 LEU C 12 29.781 -0.512 13.975 1.00 0.00 H new ATOM 0 HD22 LEU C 12 28.825 -0.147 12.519 1.00 0.00 H new ATOM 0 HD23 LEU C 12 30.086 -1.403 12.465 1.00 0.00 H new ATOM 193 N THR C 13 33.422 -0.872 10.837 1.00 0.00 N ATOM 194 CA THR C 13 34.591 -1.495 11.438 1.00 0.00 C ATOM 195 C THR C 13 34.823 -0.976 12.856 1.00 0.00 C ATOM 196 O THR C 13 34.351 0.099 13.219 1.00 0.00 O ATOM 197 CB THR C 13 35.826 -1.211 10.593 1.00 0.00 C ATOM 198 OG1 THR C 13 36.068 0.188 10.565 1.00 0.00 O ATOM 199 CG2 THR C 13 35.597 -1.717 9.175 1.00 0.00 C ATOM 0 H THR C 13 33.617 -0.022 10.308 1.00 0.00 H new ATOM 0 HA THR C 13 34.412 -2.569 11.483 1.00 0.00 H new ATOM 0 HB THR C 13 36.688 -1.719 11.025 1.00 0.00 H new ATOM 0 HG1 THR C 13 36.514 0.426 9.725 1.00 0.00 H new ATOM 0 HG21 THR C 13 36.480 -1.514 8.569 1.00 0.00 H new ATOM 0 HG22 THR C 13 35.411 -2.791 9.197 1.00 0.00 H new ATOM 0 HG23 THR C 13 34.736 -1.209 8.742 1.00 0.00 H new ATOM 207 N GLU C 14 35.561 -1.747 13.643 1.00 0.00 N ATOM 208 CA GLU C 14 35.857 -1.349 15.015 1.00 0.00 C ATOM 209 C GLU C 14 36.792 -0.151 15.032 1.00 0.00 C ATOM 210 O GLU C 14 36.720 0.700 15.921 1.00 0.00 O ATOM 211 CB GLU C 14 36.489 -2.521 15.774 1.00 0.00 C ATOM 212 CG GLU C 14 37.865 -2.827 15.185 1.00 0.00 C ATOM 213 CD GLU C 14 38.391 -4.146 15.739 1.00 0.00 C ATOM 214 OE1 GLU C 14 37.639 -4.822 16.421 1.00 0.00 O ATOM 215 OE2 GLU C 14 39.540 -4.462 15.471 1.00 0.00 O1- ATOM 0 H GLU C 14 35.962 -2.641 13.361 1.00 0.00 H new ATOM 0 HA GLU C 14 34.925 -1.067 15.505 1.00 0.00 H new ATOM 0 HB2 GLU C 14 36.581 -2.276 16.832 1.00 0.00 H new ATOM 0 HB3 GLU C 14 35.849 -3.400 15.705 1.00 0.00 H new ATOM 0 HG2 GLU C 14 37.800 -2.880 14.098 1.00 0.00 H new ATOM 0 HG3 GLU C 14 38.559 -2.021 15.424 1.00 0.00 H new ATOM 222 N GLU C 15 37.656 -0.086 14.038 1.00 0.00 N ATOM 223 CA GLU C 15 38.603 1.019 13.929 1.00 0.00 C ATOM 224 C GLU C 15 37.854 2.321 13.703 1.00 0.00 C ATOM 225 O GLU C 15 38.195 3.353 14.284 1.00 0.00 O ATOM 226 CB GLU C 15 39.583 0.764 12.772 1.00 0.00 C ATOM 227 CG GLU C 15 40.517 -0.397 13.130 1.00 0.00 C ATOM 228 CD GLU C 15 41.389 -0.756 11.930 1.00 0.00 C ATOM 229 OE1 GLU C 15 41.111 -0.257 10.853 1.00 0.00 O ATOM 230 OE2 GLU C 15 42.318 -1.523 12.109 1.00 0.00 O1- ATOM 0 H GLU C 15 37.726 -0.780 13.294 1.00 0.00 H new ATOM 0 HA GLU C 15 39.170 1.093 14.857 1.00 0.00 H new ATOM 0 HB2 GLU C 15 39.032 0.532 11.861 1.00 0.00 H new ATOM 0 HB3 GLU C 15 40.166 1.663 12.572 1.00 0.00 H new ATOM 0 HG2 GLU C 15 41.145 -0.121 13.977 1.00 0.00 H new ATOM 0 HG3 GLU C 15 39.932 -1.264 13.437 1.00 0.00 H new ATOM 237 N GLN C 16 36.819 2.263 12.872 1.00 0.00 N ATOM 238 CA GLN C 16 36.011 3.442 12.599 1.00 0.00 C ATOM 239 C GLN C 16 35.309 3.894 13.865 1.00 0.00 C ATOM 240 O GLN C 16 35.208 5.088 14.139 1.00 0.00 O ATOM 241 CB GLN C 16 34.982 3.134 11.510 1.00 0.00 C ATOM 242 CG GLN C 16 35.686 3.043 10.153 1.00 0.00 C ATOM 243 CD GLN C 16 36.027 4.443 9.651 1.00 0.00 C ATOM 244 OE1 GLN C 16 37.098 4.971 9.955 1.00 0.00 O ATOM 245 NE2 GLN C 16 35.174 5.077 8.894 1.00 0.00 N ATOM 0 H GLN C 16 36.523 1.420 12.381 1.00 0.00 H new ATOM 0 HA GLN C 16 36.663 4.243 12.250 1.00 0.00 H new ATOM 0 HB2 GLN C 16 34.473 2.196 11.731 1.00 0.00 H new ATOM 0 HB3 GLN C 16 34.220 3.913 11.485 1.00 0.00 H new ATOM 0 HG2 GLN C 16 36.595 2.448 10.244 1.00 0.00 H new ATOM 0 HG3 GLN C 16 35.044 2.535 9.433 1.00 0.00 H new ATOM 0 HE21 GLN C 16 34.288 4.637 8.644 1.00 0.00 H new ATOM 0 HE22 GLN C 16 35.393 6.013 8.552 1.00 0.00 H new ATOM 254 N LYS C 17 34.833 2.928 14.642 1.00 0.00 N ATOM 255 CA LYS C 17 34.144 3.233 15.889 1.00 0.00 C ATOM 256 C LYS C 17 35.056 3.975 16.838 1.00 0.00 C ATOM 257 O LYS C 17 34.630 4.910 17.516 1.00 0.00 O ATOM 258 CB LYS C 17 33.666 1.935 16.556 1.00 0.00 C ATOM 259 CG LYS C 17 32.482 1.341 15.771 1.00 0.00 C ATOM 260 CD LYS C 17 31.213 1.337 16.637 1.00 0.00 C ATOM 261 CE LYS C 17 30.707 2.771 16.827 1.00 0.00 C ATOM 262 NZ LYS C 17 29.362 2.740 17.462 1.00 0.00 N1+ ATOM 0 H LYS C 17 34.911 1.933 14.432 1.00 0.00 H new ATOM 0 HA LYS C 17 33.286 3.865 15.657 1.00 0.00 H new ATOM 0 HB2 LYS C 17 34.484 1.215 16.596 1.00 0.00 H new ATOM 0 HB3 LYS C 17 33.367 2.135 17.585 1.00 0.00 H new ATOM 0 HG2 LYS C 17 32.310 1.922 14.865 1.00 0.00 H new ATOM 0 HG3 LYS C 17 32.719 0.324 15.457 1.00 0.00 H new ATOM 0 HD2 LYS C 17 30.441 0.729 16.164 1.00 0.00 H new ATOM 0 HD3 LYS C 17 31.425 0.885 17.606 1.00 0.00 H new ATOM 0 HE2 LYS C 17 31.402 3.334 17.449 1.00 0.00 H new ATOM 0 HE3 LYS C 17 30.656 3.281 15.865 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 29.017 3.712 17.592 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 28.702 2.217 16.852 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 29.426 2.269 18.387 1.00 0.00 H new ATOM 276 N ASN C 18 36.309 3.561 16.896 1.00 0.00 N ATOM 277 CA ASN C 18 37.243 4.208 17.789 1.00 0.00 C ATOM 278 C ASN C 18 37.493 5.650 17.349 1.00 0.00 C ATOM 279 O ASN C 18 37.476 6.570 18.165 1.00 0.00 O ATOM 280 CB ASN C 18 38.562 3.433 17.800 1.00 0.00 C ATOM 281 CG ASN C 18 39.305 3.657 19.112 1.00 0.00 C ATOM 282 OD1 ASN C 18 39.098 4.669 19.783 1.00 0.00 O ATOM 283 ND2 ASN C 18 40.161 2.760 19.522 1.00 0.00 N ATOM 0 H ASN C 18 36.695 2.794 16.345 1.00 0.00 H new ATOM 0 HA ASN C 18 36.819 4.220 18.793 1.00 0.00 H new ATOM 0 HB2 ASN C 18 38.366 2.369 17.664 1.00 0.00 H new ATOM 0 HB3 ASN C 18 39.185 3.752 16.964 1.00 0.00 H new ATOM 0 HD21 ASN C 18 40.661 2.896 20.401 1.00 0.00 H new ATOM 0 HD22 ASN C 18 40.330 1.923 18.964 1.00 0.00 H new ATOM 290 N GLU C 19 37.719 5.834 16.051 1.00 0.00 N ATOM 291 CA GLU C 19 37.967 7.169 15.512 1.00 0.00 C ATOM 292 C GLU C 19 36.729 8.045 15.662 1.00 0.00 C ATOM 293 O GLU C 19 36.829 9.225 15.996 1.00 0.00 O ATOM 294 CB GLU C 19 38.356 7.075 14.038 1.00 0.00 C ATOM 295 CG GLU C 19 39.743 6.441 13.919 1.00 0.00 C ATOM 296 CD GLU C 19 40.110 6.269 12.450 1.00 0.00 C ATOM 297 OE1 GLU C 19 39.249 6.496 11.615 1.00 0.00 O ATOM 298 OE2 GLU C 19 41.244 5.910 12.180 1.00 0.00 O1- ATOM 0 H GLU C 19 37.736 5.085 15.359 1.00 0.00 H new ATOM 0 HA GLU C 19 38.786 7.620 16.072 1.00 0.00 H new ATOM 0 HB2 GLU C 19 37.623 6.479 13.494 1.00 0.00 H new ATOM 0 HB3 GLU C 19 38.357 8.067 13.587 1.00 0.00 H new ATOM 0 HG2 GLU C 19 40.483 7.068 14.417 1.00 0.00 H new ATOM 0 HG3 GLU C 19 39.755 5.474 14.421 1.00 0.00 H new ATOM 305 N PHE C 20 35.562 7.455 15.417 1.00 0.00 N ATOM 306 CA PHE C 20 34.306 8.186 15.532 1.00 0.00 C ATOM 307 C PHE C 20 34.130 8.749 16.936 1.00 0.00 C ATOM 308 O PHE C 20 33.863 9.938 17.107 1.00 0.00 O ATOM 309 CB PHE C 20 33.136 7.254 15.203 1.00 0.00 C ATOM 310 CG PHE C 20 32.056 7.416 16.245 1.00 0.00 C ATOM 311 CD1 PHE C 20 31.313 8.595 16.306 1.00 0.00 C ATOM 312 CD2 PHE C 20 31.804 6.382 17.154 1.00 0.00 C ATOM 313 CE1 PHE C 20 30.316 8.744 17.277 1.00 0.00 C ATOM 314 CE2 PHE C 20 30.809 6.529 18.125 1.00 0.00 C ATOM 315 CZ PHE C 20 30.065 7.710 18.188 1.00 0.00 C ATOM 0 H PHE C 20 35.461 6.479 15.139 1.00 0.00 H new ATOM 0 HA PHE C 20 34.326 9.017 14.827 1.00 0.00 H new ATOM 0 HB2 PHE C 20 32.740 7.485 14.214 1.00 0.00 H new ATOM 0 HB3 PHE C 20 33.478 6.219 15.176 1.00 0.00 H new ATOM 0 HD1 PHE C 20 31.507 9.393 15.604 1.00 0.00 H new ATOM 0 HD2 PHE C 20 32.379 5.469 17.105 1.00 0.00 H new ATOM 0 HE1 PHE C 20 29.740 9.656 17.324 1.00 0.00 H new ATOM 0 HE2 PHE C 20 30.616 5.730 18.826 1.00 0.00 H new ATOM 0 HZ PHE C 20 29.297 7.826 18.938 1.00 0.00 H new ATOM 325 N LYS C 21 34.277 7.891 17.935 1.00 0.00 N ATOM 326 CA LYS C 21 34.128 8.319 19.317 1.00 0.00 C ATOM 327 C LYS C 21 35.185 9.363 19.667 1.00 0.00 C ATOM 328 O LYS C 21 34.894 10.360 20.329 1.00 0.00 O ATOM 329 CB LYS C 21 34.268 7.116 20.250 1.00 0.00 C ATOM 330 CG LYS C 21 33.824 7.504 21.661 1.00 0.00 C ATOM 331 CD LYS C 21 32.377 7.049 21.875 1.00 0.00 C ATOM 332 CE LYS C 21 32.344 5.548 22.175 1.00 0.00 C ATOM 333 NZ LYS C 21 32.168 5.341 23.640 1.00 0.00 N1+ ATOM 0 H LYS C 21 34.498 6.902 17.816 1.00 0.00 H new ATOM 0 HA LYS C 21 33.140 8.762 19.440 1.00 0.00 H new ATOM 0 HB2 LYS C 21 33.663 6.287 19.883 1.00 0.00 H new ATOM 0 HB3 LYS C 21 35.303 6.774 20.265 1.00 0.00 H new ATOM 0 HG2 LYS C 21 34.477 7.041 22.401 1.00 0.00 H new ATOM 0 HG3 LYS C 21 33.903 8.583 21.797 1.00 0.00 H new ATOM 0 HD2 LYS C 21 31.930 7.604 22.700 1.00 0.00 H new ATOM 0 HD3 LYS C 21 31.783 7.265 20.987 1.00 0.00 H new ATOM 0 HE2 LYS C 21 31.528 5.074 21.629 1.00 0.00 H new ATOM 0 HE3 LYS C 21 33.268 5.078 21.838 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 32.145 4.322 23.846 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 32.961 5.780 24.150 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 31.275 5.776 23.947 1.00 0.00 H new ATOM 347 N ALA C 22 36.417 9.128 19.223 1.00 0.00 N ATOM 348 CA ALA C 22 37.505 10.059 19.502 1.00 0.00 C ATOM 349 C ALA C 22 37.224 11.426 18.885 1.00 0.00 C ATOM 350 O ALA C 22 37.446 12.461 19.511 1.00 0.00 O ATOM 351 CB ALA C 22 38.817 9.509 18.942 1.00 0.00 C ATOM 0 H ALA C 22 36.685 8.310 18.675 1.00 0.00 H new ATOM 0 HA ALA C 22 37.586 10.174 20.583 1.00 0.00 H new ATOM 0 HB1 ALA C 22 39.625 10.209 19.154 1.00 0.00 H new ATOM 0 HB2 ALA C 22 39.037 8.549 19.408 1.00 0.00 H new ATOM 0 HB3 ALA C 22 38.725 9.376 17.864 1.00 0.00 H new ATOM 357 N ALA C 23 36.731 11.421 17.652 1.00 0.00 N ATOM 358 CA ALA C 23 36.420 12.665 16.960 1.00 0.00 C ATOM 359 C ALA C 23 35.331 13.431 17.698 1.00 0.00 C ATOM 360 O ALA C 23 35.388 14.655 17.809 1.00 0.00 O ATOM 361 CB ALA C 23 35.961 12.360 15.533 1.00 0.00 C ATOM 0 H ALA C 23 36.539 10.576 17.114 1.00 0.00 H new ATOM 0 HA ALA C 23 37.319 13.281 16.930 1.00 0.00 H new ATOM 0 HB1 ALA C 23 35.729 13.292 15.018 1.00 0.00 H new ATOM 0 HB2 ALA C 23 36.755 11.838 14.999 1.00 0.00 H new ATOM 0 HB3 ALA C 23 35.071 11.731 15.564 1.00 0.00 H new ATOM 367 N PHE C 24 34.338 12.704 18.197 1.00 0.00 N ATOM 368 CA PHE C 24 33.237 13.333 18.914 1.00 0.00 C ATOM 369 C PHE C 24 33.762 14.045 20.158 1.00 0.00 C ATOM 370 O PHE C 24 33.326 15.149 20.484 1.00 0.00 O ATOM 371 CB PHE C 24 32.209 12.275 19.318 1.00 0.00 C ATOM 372 CG PHE C 24 30.935 12.953 19.761 1.00 0.00 C ATOM 373 CD1 PHE C 24 30.793 13.398 21.079 1.00 0.00 C ATOM 374 CD2 PHE C 24 29.895 13.142 18.841 1.00 0.00 C ATOM 375 CE1 PHE C 24 29.608 14.028 21.480 1.00 0.00 C ATOM 376 CE2 PHE C 24 28.711 13.770 19.242 1.00 0.00 C ATOM 377 CZ PHE C 24 28.567 14.215 20.560 1.00 0.00 C ATOM 0 H PHE C 24 34.273 11.689 18.119 1.00 0.00 H new ATOM 0 HA PHE C 24 32.761 14.064 18.261 1.00 0.00 H new ATOM 0 HB2 PHE C 24 32.007 11.610 18.478 1.00 0.00 H new ATOM 0 HB3 PHE C 24 32.604 11.658 20.125 1.00 0.00 H new ATOM 0 HD1 PHE C 24 31.596 13.256 21.787 1.00 0.00 H new ATOM 0 HD2 PHE C 24 30.008 12.803 17.822 1.00 0.00 H new ATOM 0 HE1 PHE C 24 29.496 14.370 22.498 1.00 0.00 H new ATOM 0 HE2 PHE C 24 27.908 13.911 18.534 1.00 0.00 H new ATOM 0 HZ PHE C 24 27.654 14.703 20.869 1.00 0.00 H new ATOM 387 N ASP C 25 34.700 13.400 20.849 1.00 0.00 N ATOM 388 CA ASP C 25 35.285 13.979 22.056 1.00 0.00 C ATOM 389 C ASP C 25 36.025 15.278 21.730 1.00 0.00 C ATOM 390 O ASP C 25 35.947 16.255 22.475 1.00 0.00 O ATOM 391 CB ASP C 25 36.251 12.985 22.703 1.00 0.00 C ATOM 392 CG ASP C 25 36.761 13.545 24.027 1.00 0.00 C ATOM 393 OD1 ASP C 25 36.501 14.706 24.296 1.00 0.00 O ATOM 394 OD2 ASP C 25 37.401 12.803 24.755 1.00 0.00 O1- ATOM 0 H ASP C 25 35.069 12.483 20.596 1.00 0.00 H new ATOM 0 HA ASP C 25 34.477 14.202 22.753 1.00 0.00 H new ATOM 0 HB2 ASP C 25 35.748 12.032 22.870 1.00 0.00 H new ATOM 0 HB3 ASP C 25 37.089 12.790 22.034 1.00 0.00 H new ATOM 399 N ILE C 26 36.756 15.281 20.616 1.00 0.00 N ATOM 400 CA ILE C 26 37.500 16.458 20.202 1.00 0.00 C ATOM 401 C ILE C 26 36.550 17.600 19.844 1.00 0.00 C ATOM 402 O ILE C 26 36.769 18.749 20.225 1.00 0.00 O ATOM 403 CB ILE C 26 38.370 16.112 18.999 1.00 0.00 C ATOM 404 CG1 ILE C 26 39.460 15.131 19.433 1.00 0.00 C ATOM 405 CG2 ILE C 26 39.022 17.385 18.471 1.00 0.00 C ATOM 406 CD1 ILE C 26 40.133 14.543 18.196 1.00 0.00 C ATOM 0 H ILE C 26 36.845 14.481 19.989 1.00 0.00 H new ATOM 0 HA ILE C 26 38.131 16.783 21.029 1.00 0.00 H new ATOM 0 HB ILE C 26 37.758 15.660 18.218 1.00 0.00 H new ATOM 0 HG12 ILE C 26 40.197 15.640 20.054 1.00 0.00 H new ATOM 0 HG13 ILE C 26 39.028 14.335 20.039 1.00 0.00 H new ATOM 0 HG21 ILE C 26 39.646 17.144 17.610 1.00 0.00 H new ATOM 0 HG22 ILE C 26 38.249 18.093 18.172 1.00 0.00 H new ATOM 0 HG23 ILE C 26 39.638 17.829 19.253 1.00 0.00 H new ATOM 0 HD11 ILE C 26 40.910 13.843 18.503 1.00 0.00 H new ATOM 0 HD12 ILE C 26 39.391 14.020 17.592 1.00 0.00 H new ATOM 0 HD13 ILE C 26 40.578 15.345 17.608 1.00 0.00 H new ATOM 418 N PHE C 27 35.495 17.273 19.106 1.00 0.00 N ATOM 419 CA PHE C 27 34.523 18.285 18.703 1.00 0.00 C ATOM 420 C PHE C 27 33.874 18.937 19.919 1.00 0.00 C ATOM 421 O PHE C 27 33.691 20.154 19.960 1.00 0.00 O ATOM 422 CB PHE C 27 33.439 17.653 17.828 1.00 0.00 C ATOM 423 CG PHE C 27 33.818 17.786 16.371 1.00 0.00 C ATOM 424 CD1 PHE C 27 33.807 19.048 15.766 1.00 0.00 C ATOM 425 CD2 PHE C 27 34.180 16.657 15.626 1.00 0.00 C ATOM 426 CE1 PHE C 27 34.154 19.181 14.417 1.00 0.00 C ATOM 427 CE2 PHE C 27 34.528 16.793 14.276 1.00 0.00 C ATOM 428 CZ PHE C 27 34.514 18.054 13.673 1.00 0.00 C ATOM 0 H PHE C 27 35.291 16.329 18.778 1.00 0.00 H new ATOM 0 HA PHE C 27 35.052 19.051 18.137 1.00 0.00 H new ATOM 0 HB2 PHE C 27 33.316 16.601 18.087 1.00 0.00 H new ATOM 0 HB3 PHE C 27 32.481 18.140 18.010 1.00 0.00 H new ATOM 0 HD1 PHE C 27 33.531 19.920 16.341 1.00 0.00 H new ATOM 0 HD2 PHE C 27 34.191 15.683 16.092 1.00 0.00 H new ATOM 0 HE1 PHE C 27 34.144 20.155 13.951 1.00 0.00 H new ATOM 0 HE2 PHE C 27 34.807 15.923 13.701 1.00 0.00 H new ATOM 0 HZ PHE C 27 34.781 18.157 12.632 1.00 0.00 H new ATOM 438 N VAL C 28 33.536 18.123 20.909 1.00 0.00 N ATOM 439 CA VAL C 28 32.912 18.628 22.126 1.00 0.00 C ATOM 440 C VAL C 28 33.972 18.956 23.162 1.00 0.00 C ATOM 441 O VAL C 28 33.736 18.790 24.354 1.00 0.00 O ATOM 442 CB VAL C 28 31.942 17.591 22.698 1.00 0.00 C ATOM 443 CG1 VAL C 28 30.883 17.249 21.653 1.00 0.00 C ATOM 444 CG2 VAL C 28 32.718 16.332 23.066 1.00 0.00 C ATOM 0 H VAL C 28 33.682 17.114 20.895 1.00 0.00 H new ATOM 0 HA VAL C 28 32.359 19.534 21.878 1.00 0.00 H new ATOM 0 HB VAL C 28 31.454 17.996 23.585 1.00 0.00 H new ATOM 0 HG11 VAL C 28 30.193 16.511 22.062 1.00 0.00 H new ATOM 0 HG12 VAL C 28 30.332 18.150 21.385 1.00 0.00 H new ATOM 0 HG13 VAL C 28 31.366 16.841 20.765 1.00 0.00 H new ATOM 0 HG21 VAL C 28 32.033 15.589 23.474 1.00 0.00 H new ATOM 0 HG22 VAL C 28 33.202 15.930 22.176 1.00 0.00 H new ATOM 0 HG23 VAL C 28 33.475 16.576 23.811 1.00 0.00 H new ATOM 454 N LEU C 29 35.139 19.411 22.693 1.00 0.00 N ATOM 455 CA LEU C 29 36.245 19.760 23.585 1.00 0.00 C ATOM 456 C LEU C 29 35.737 20.426 24.862 1.00 0.00 C ATOM 457 O LEU C 29 35.707 21.652 24.967 1.00 0.00 O ATOM 458 CB LEU C 29 37.214 20.701 22.872 1.00 0.00 C ATOM 459 CG LEU C 29 36.445 21.901 22.306 1.00 0.00 C ATOM 460 CD1 LEU C 29 37.087 23.203 22.786 1.00 0.00 C ATOM 461 CD2 LEU C 29 36.478 21.850 20.778 1.00 0.00 C ATOM 0 H LEU C 29 35.340 19.545 21.702 1.00 0.00 H new ATOM 0 HA LEU C 29 36.759 18.838 23.857 1.00 0.00 H new ATOM 0 HB2 LEU C 29 37.981 21.043 23.566 1.00 0.00 H new ATOM 0 HB3 LEU C 29 37.725 20.172 22.068 1.00 0.00 H new ATOM 0 HG LEU C 29 35.412 21.862 22.652 1.00 0.00 H new ATOM 0 HD11 LEU C 29 36.536 24.052 22.380 1.00 0.00 H new ATOM 0 HD12 LEU C 29 37.062 23.241 23.875 1.00 0.00 H new ATOM 0 HD13 LEU C 29 38.121 23.246 22.445 1.00 0.00 H new ATOM 0 HD21 LEU C 29 35.932 22.702 20.374 1.00 0.00 H new ATOM 0 HD22 LEU C 29 37.512 21.886 20.435 1.00 0.00 H new ATOM 0 HD23 LEU C 29 36.014 20.926 20.435 1.00 0.00 H new ATOM 473 N GLY C 30 35.332 19.609 25.827 1.00 0.00 N ATOM 474 CA GLY C 30 34.827 20.129 27.089 1.00 0.00 C ATOM 475 C GLY C 30 33.657 21.076 26.849 1.00 0.00 C ATOM 476 O GLY C 30 33.464 22.034 27.597 1.00 0.00 O ATOM 0 H GLY C 30 35.344 18.591 25.760 1.00 0.00 H new ATOM 0 HA2 GLY C 30 34.510 19.304 27.727 1.00 0.00 H new ATOM 0 HA3 GLY C 30 35.623 20.653 27.618 1.00 0.00 H new ATOM 480 N ALA C 31 32.878 20.819 25.797 1.00 0.00 N ATOM 481 CA ALA C 31 31.745 21.679 25.484 1.00 0.00 C ATOM 482 C ALA C 31 30.811 21.792 26.682 1.00 0.00 C ATOM 483 O ALA C 31 30.433 20.788 27.286 1.00 0.00 O ATOM 484 CB ALA C 31 30.976 21.104 24.295 1.00 0.00 C ATOM 0 H ALA C 31 33.010 20.034 25.159 1.00 0.00 H new ATOM 0 HA ALA C 31 32.121 22.671 25.236 1.00 0.00 H new ATOM 0 HB1 ALA C 31 30.129 21.749 24.063 1.00 0.00 H new ATOM 0 HB2 ALA C 31 31.635 21.046 23.429 1.00 0.00 H new ATOM 0 HB3 ALA C 31 30.614 20.106 24.544 1.00 0.00 H new ATOM 490 N GLU C 32 30.440 23.023 27.017 1.00 0.00 N ATOM 491 CA GLU C 32 29.546 23.264 28.143 1.00 0.00 C ATOM 492 C GLU C 32 28.161 22.698 27.866 1.00 0.00 C ATOM 493 O GLU C 32 27.440 22.312 28.785 1.00 0.00 O ATOM 494 CB GLU C 32 29.451 24.764 28.435 1.00 0.00 C ATOM 495 CG GLU C 32 30.775 25.257 29.025 1.00 0.00 C ATOM 496 CD GLU C 32 30.757 26.778 29.145 1.00 0.00 C ATOM 497 OE1 GLU C 32 29.889 27.388 28.544 1.00 0.00 O ATOM 498 OE2 GLU C 32 31.608 27.308 29.840 1.00 0.00 O1- ATOM 0 H GLU C 32 30.743 23.865 26.528 1.00 0.00 H new ATOM 0 HA GLU C 32 29.957 22.758 29.017 1.00 0.00 H new ATOM 0 HB2 GLU C 32 29.224 25.309 27.519 1.00 0.00 H new ATOM 0 HB3 GLU C 32 28.636 24.958 29.132 1.00 0.00 H new ATOM 0 HG2 GLU C 32 30.936 24.808 30.005 1.00 0.00 H new ATOM 0 HG3 GLU C 32 31.605 24.943 28.391 1.00 0.00 H new ATOM 505 N ASP C 33 27.798 22.659 26.593 1.00 0.00 N ATOM 506 CA ASP C 33 26.492 22.140 26.199 1.00 0.00 C ATOM 507 C ASP C 33 26.534 20.620 26.043 1.00 0.00 C ATOM 508 O ASP C 33 25.500 19.952 26.101 1.00 0.00 O ATOM 509 CB ASP C 33 26.062 22.776 24.877 1.00 0.00 C ATOM 510 CG ASP C 33 25.977 24.291 25.028 1.00 0.00 C ATOM 511 OD1 ASP C 33 24.912 24.772 25.376 1.00 0.00 O1- ATOM 512 OD2 ASP C 33 26.975 24.949 24.780 1.00 0.00 O ATOM 0 H ASP C 33 28.382 22.977 25.819 1.00 0.00 H new ATOM 0 HA ASP C 33 25.774 22.390 26.980 1.00 0.00 H new ATOM 0 HB2 ASP C 33 26.774 22.520 24.093 1.00 0.00 H new ATOM 0 HB3 ASP C 33 25.094 22.378 24.571 1.00 0.00 H new ATOM 517 N GLY C 34 27.734 20.082 25.856 1.00 0.00 N ATOM 518 CA GLY C 34 27.902 18.640 25.706 1.00 0.00 C ATOM 519 C GLY C 34 27.496 18.191 24.311 1.00 0.00 C ATOM 520 O GLY C 34 27.390 16.996 24.035 1.00 0.00 O ATOM 0 H GLY C 34 28.600 20.618 25.805 1.00 0.00 H new ATOM 0 HA2 GLY C 34 28.941 18.369 25.892 1.00 0.00 H new ATOM 0 HA3 GLY C 34 27.299 18.120 26.450 1.00 0.00 H new ATOM 524 N CYS C 35 27.264 19.161 23.441 1.00 0.00 N ATOM 525 CA CYS C 35 26.858 18.866 22.069 1.00 0.00 C ATOM 526 C CYS C 35 27.547 19.805 21.082 1.00 0.00 C ATOM 527 O CYS C 35 28.177 20.785 21.479 1.00 0.00 O ATOM 528 CB CYS C 35 25.339 18.993 21.928 1.00 0.00 C ATOM 529 SG CYS C 35 24.530 17.870 23.094 1.00 0.00 S ATOM 0 H CYS C 35 27.348 20.155 23.655 1.00 0.00 H new ATOM 0 HA CYS C 35 27.157 17.843 21.841 1.00 0.00 H new ATOM 0 HB2 CYS C 35 25.030 20.020 22.121 1.00 0.00 H new ATOM 0 HB3 CYS C 35 25.036 18.756 20.908 1.00 0.00 H new ATOM 0 HG CYS C 35 23.240 17.978 22.977 1.00 0.00 H new ATOM 535 N ILE C 36 27.420 19.502 19.793 1.00 0.00 N ATOM 536 CA ILE C 36 28.032 20.332 18.760 1.00 0.00 C ATOM 537 C ILE C 36 27.018 21.324 18.205 1.00 0.00 C ATOM 538 O ILE C 36 26.010 20.932 17.616 1.00 0.00 O ATOM 539 CB ILE C 36 28.544 19.449 17.622 1.00 0.00 C ATOM 540 CG1 ILE C 36 29.494 18.384 18.179 1.00 0.00 C ATOM 541 CG2 ILE C 36 29.284 20.309 16.594 1.00 0.00 C ATOM 542 CD1 ILE C 36 28.728 17.091 18.482 1.00 0.00 C ATOM 0 H ILE C 36 26.904 18.696 19.441 1.00 0.00 H new ATOM 0 HA ILE C 36 28.863 20.880 19.204 1.00 0.00 H new ATOM 0 HB ILE C 36 27.697 18.960 17.141 1.00 0.00 H new ATOM 0 HG12 ILE C 36 30.288 18.184 17.460 1.00 0.00 H new ATOM 0 HG13 ILE C 36 29.972 18.753 19.087 1.00 0.00 H new ATOM 0 HG21 ILE C 36 29.648 19.676 15.784 1.00 0.00 H new ATOM 0 HG22 ILE C 36 28.604 21.060 16.191 1.00 0.00 H new ATOM 0 HG23 ILE C 36 30.128 20.804 17.074 1.00 0.00 H new ATOM 0 HD11 ILE C 36 29.417 16.344 18.877 1.00 0.00 H new ATOM 0 HD12 ILE C 36 27.950 17.293 19.219 1.00 0.00 H new ATOM 0 HD13 ILE C 36 28.272 16.715 17.566 1.00 0.00 H new ATOM 554 N SER C 37 27.301 22.610 18.394 1.00 0.00 N ATOM 555 CA SER C 37 26.417 23.665 17.911 1.00 0.00 C ATOM 556 C SER C 37 27.206 24.666 17.081 1.00 0.00 C ATOM 557 O SER C 37 28.359 24.417 16.725 1.00 0.00 O ATOM 558 CB SER C 37 25.750 24.386 19.087 1.00 0.00 C ATOM 559 OG SER C 37 26.561 25.479 19.498 1.00 0.00 O ATOM 0 H SER C 37 28.134 22.946 18.877 1.00 0.00 H new ATOM 0 HA SER C 37 25.644 23.211 17.291 1.00 0.00 H new ATOM 0 HB2 SER C 37 24.762 24.743 18.795 1.00 0.00 H new ATOM 0 HB3 SER C 37 25.607 23.694 19.917 1.00 0.00 H new ATOM 0 HG SER C 37 27.496 25.191 19.549 1.00 0.00 H new ATOM 565 N THR C 38 26.580 25.797 16.770 1.00 0.00 N ATOM 566 CA THR C 38 27.232 26.824 15.978 1.00 0.00 C ATOM 567 C THR C 38 28.410 27.416 16.739 1.00 0.00 C ATOM 568 O THR C 38 29.350 27.939 16.139 1.00 0.00 O ATOM 569 CB THR C 38 26.229 27.933 15.646 1.00 0.00 C ATOM 570 OG1 THR C 38 25.751 28.513 16.850 1.00 0.00 O ATOM 571 CG2 THR C 38 25.052 27.349 14.862 1.00 0.00 C ATOM 0 H THR C 38 25.627 26.021 17.055 1.00 0.00 H new ATOM 0 HA THR C 38 27.599 26.373 15.056 1.00 0.00 H new ATOM 0 HB THR C 38 26.722 28.695 15.042 1.00 0.00 H new ATOM 0 HG1 THR C 38 25.110 29.224 16.639 1.00 0.00 H new ATOM 0 HG21 THR C 38 24.341 28.142 14.628 1.00 0.00 H new ATOM 0 HG22 THR C 38 25.417 26.904 13.936 1.00 0.00 H new ATOM 0 HG23 THR C 38 24.558 26.585 15.462 1.00 0.00 H new ATOM 579 N LYS C 39 28.354 27.341 18.063 1.00 0.00 N ATOM 580 CA LYS C 39 29.426 27.881 18.886 1.00 0.00 C ATOM 581 C LYS C 39 30.638 26.940 18.876 1.00 0.00 C ATOM 582 O LYS C 39 31.778 27.372 18.676 1.00 0.00 O ATOM 583 CB LYS C 39 28.934 28.060 20.325 1.00 0.00 C ATOM 584 CG LYS C 39 29.859 29.025 21.067 1.00 0.00 C ATOM 585 CD LYS C 39 29.382 29.185 22.514 1.00 0.00 C ATOM 586 CE LYS C 39 30.261 30.211 23.233 1.00 0.00 C ATOM 587 NZ LYS C 39 29.786 30.374 24.636 1.00 0.00 N1+ ATOM 0 H LYS C 39 27.587 26.916 18.584 1.00 0.00 H new ATOM 0 HA LYS C 39 29.724 28.846 18.477 1.00 0.00 H new ATOM 0 HB2 LYS C 39 27.914 28.445 20.326 1.00 0.00 H new ATOM 0 HB3 LYS C 39 28.912 27.097 20.835 1.00 0.00 H new ATOM 0 HG2 LYS C 39 30.882 28.649 21.050 1.00 0.00 H new ATOM 0 HG3 LYS C 39 29.867 29.994 20.567 1.00 0.00 H new ATOM 0 HD2 LYS C 39 28.341 29.507 22.531 1.00 0.00 H new ATOM 0 HD3 LYS C 39 29.427 28.226 23.031 1.00 0.00 H new ATOM 0 HE2 LYS C 39 31.301 29.884 23.225 1.00 0.00 H new ATOM 0 HE3 LYS C 39 30.223 31.167 22.711 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 30.383 31.071 25.126 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 28.800 30.704 24.632 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 29.844 29.461 25.130 1.00 0.00 H new ATOM 601 N GLU C 40 30.389 25.648 19.097 1.00 0.00 N ATOM 602 CA GLU C 40 31.471 24.670 19.123 1.00 0.00 C ATOM 603 C GLU C 40 32.149 24.591 17.757 1.00 0.00 C ATOM 604 O GLU C 40 33.380 24.548 17.653 1.00 0.00 O ATOM 605 CB GLU C 40 30.909 23.291 19.501 1.00 0.00 C ATOM 606 CG GLU C 40 30.395 23.312 20.951 1.00 0.00 C ATOM 607 CD GLU C 40 28.977 23.878 21.003 1.00 0.00 C ATOM 608 OE1 GLU C 40 28.455 24.213 19.955 1.00 0.00 O ATOM 609 OE2 GLU C 40 28.434 23.966 22.092 1.00 0.00 O1- ATOM 0 H GLU C 40 29.459 25.261 19.258 1.00 0.00 H new ATOM 0 HA GLU C 40 32.208 24.980 19.863 1.00 0.00 H new ATOM 0 HB2 GLU C 40 30.099 23.021 18.823 1.00 0.00 H new ATOM 0 HB3 GLU C 40 31.683 22.531 19.392 1.00 0.00 H new ATOM 0 HG2 GLU C 40 30.406 22.303 21.363 1.00 0.00 H new ATOM 0 HG3 GLU C 40 31.058 23.916 21.570 1.00 0.00 H new ATOM 616 N LEU C 41 31.337 24.587 16.711 1.00 0.00 N ATOM 617 CA LEU C 41 31.862 24.526 15.356 1.00 0.00 C ATOM 618 C LEU C 41 32.642 25.789 15.036 1.00 0.00 C ATOM 619 O LEU C 41 33.651 25.746 14.332 1.00 0.00 O ATOM 620 CB LEU C 41 30.721 24.345 14.350 1.00 0.00 C ATOM 621 CG LEU C 41 30.113 22.947 14.505 1.00 0.00 C ATOM 622 CD1 LEU C 41 28.867 22.830 13.625 1.00 0.00 C ATOM 623 CD2 LEU C 41 31.130 21.871 14.095 1.00 0.00 C ATOM 0 H LEU C 41 30.320 24.625 16.773 1.00 0.00 H new ATOM 0 HA LEU C 41 32.533 23.670 15.283 1.00 0.00 H new ATOM 0 HB2 LEU C 41 29.956 25.105 14.512 1.00 0.00 H new ATOM 0 HB3 LEU C 41 31.094 24.480 13.335 1.00 0.00 H new ATOM 0 HG LEU C 41 29.842 22.797 15.550 1.00 0.00 H new ATOM 0 HD11 LEU C 41 28.435 21.835 13.736 1.00 0.00 H new ATOM 0 HD12 LEU C 41 28.136 23.579 13.929 1.00 0.00 H new ATOM 0 HD13 LEU C 41 29.141 22.992 12.583 1.00 0.00 H new ATOM 0 HD21 LEU C 41 30.682 20.884 14.211 1.00 0.00 H new ATOM 0 HD22 LEU C 41 31.417 22.019 13.054 1.00 0.00 H new ATOM 0 HD23 LEU C 41 32.014 21.945 14.729 1.00 0.00 H new ATOM 635 N GLY C 42 32.170 26.914 15.553 1.00 0.00 N ATOM 636 CA GLY C 42 32.830 28.183 15.309 1.00 0.00 C ATOM 637 C GLY C 42 34.267 28.150 15.812 1.00 0.00 C ATOM 638 O GLY C 42 35.172 28.663 15.155 1.00 0.00 O ATOM 0 H GLY C 42 31.338 26.972 16.140 1.00 0.00 H new ATOM 0 HA2 GLY C 42 32.818 28.405 14.242 1.00 0.00 H new ATOM 0 HA3 GLY C 42 32.284 28.984 15.807 1.00 0.00 H new ATOM 642 N LYS C 43 34.476 27.538 16.975 1.00 0.00 N ATOM 643 CA LYS C 43 35.816 27.448 17.535 1.00 0.00 C ATOM 644 C LYS C 43 36.697 26.566 16.662 1.00 0.00 C ATOM 645 O LYS C 43 37.866 26.873 16.425 1.00 0.00 O ATOM 646 CB LYS C 43 35.751 26.882 18.955 1.00 0.00 C ATOM 647 CG LYS C 43 35.112 27.917 19.886 1.00 0.00 C ATOM 648 CD LYS C 43 35.112 27.381 21.319 1.00 0.00 C ATOM 649 CE LYS C 43 34.524 28.431 22.262 1.00 0.00 C ATOM 650 NZ LYS C 43 33.069 28.589 21.985 1.00 0.00 N1+ ATOM 0 H LYS C 43 33.745 27.104 17.539 1.00 0.00 H new ATOM 0 HA LYS C 43 36.249 28.448 17.569 1.00 0.00 H new ATOM 0 HB2 LYS C 43 35.170 25.960 18.965 1.00 0.00 H new ATOM 0 HB3 LYS C 43 36.752 26.631 19.305 1.00 0.00 H new ATOM 0 HG2 LYS C 43 35.664 28.856 19.837 1.00 0.00 H new ATOM 0 HG3 LYS C 43 34.092 28.130 19.566 1.00 0.00 H new ATOM 0 HD2 LYS C 43 34.529 26.462 21.374 1.00 0.00 H new ATOM 0 HD3 LYS C 43 36.128 27.132 21.624 1.00 0.00 H new ATOM 0 HE2 LYS C 43 34.677 28.131 23.299 1.00 0.00 H new ATOM 0 HE3 LYS C 43 35.036 29.384 22.127 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 32.862 29.586 21.772 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 32.805 27.999 21.171 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 32.523 28.293 22.819 1.00 0.00 H new ATOM 664 N VAL C 44 36.124 25.472 16.180 1.00 0.00 N ATOM 665 CA VAL C 44 36.861 24.550 15.321 1.00 0.00 C ATOM 666 C VAL C 44 37.183 25.200 13.981 1.00 0.00 C ATOM 667 O VAL C 44 38.288 25.059 13.456 1.00 0.00 O ATOM 668 CB VAL C 44 36.034 23.296 15.090 1.00 0.00 C ATOM 669 CG1 VAL C 44 36.706 22.424 14.022 1.00 0.00 C ATOM 670 CG2 VAL C 44 35.936 22.500 16.397 1.00 0.00 C ATOM 0 H VAL C 44 35.159 25.201 16.366 1.00 0.00 H new ATOM 0 HA VAL C 44 37.797 24.290 15.816 1.00 0.00 H new ATOM 0 HB VAL C 44 35.037 23.581 14.755 1.00 0.00 H new ATOM 0 HG11 VAL C 44 36.111 21.526 13.858 1.00 0.00 H new ATOM 0 HG12 VAL C 44 36.782 22.984 13.090 1.00 0.00 H new ATOM 0 HG13 VAL C 44 37.704 22.142 14.358 1.00 0.00 H new ATOM 0 HG21 VAL C 44 35.343 21.601 16.232 1.00 0.00 H new ATOM 0 HG22 VAL C 44 36.936 22.220 16.728 1.00 0.00 H new ATOM 0 HG23 VAL C 44 35.459 23.113 17.162 1.00 0.00 H new ATOM 680 N MET C 45 36.201 25.906 13.431 1.00 0.00 N ATOM 681 CA MET C 45 36.371 26.567 12.146 1.00 0.00 C ATOM 682 C MET C 45 37.510 27.581 12.203 1.00 0.00 C ATOM 683 O MET C 45 38.243 27.763 11.234 1.00 0.00 O ATOM 684 CB MET C 45 35.082 27.278 11.733 1.00 0.00 C ATOM 685 CG MET C 45 34.035 26.250 11.301 1.00 0.00 C ATOM 686 SD MET C 45 34.499 25.552 9.697 1.00 0.00 S ATOM 687 CE MET C 45 33.063 24.469 9.497 1.00 0.00 C ATOM 0 H MET C 45 35.282 26.034 13.855 1.00 0.00 H new ATOM 0 HA MET C 45 36.613 25.802 11.409 1.00 0.00 H new ATOM 0 HB2 MET C 45 34.701 27.870 12.565 1.00 0.00 H new ATOM 0 HB3 MET C 45 35.284 27.970 10.915 1.00 0.00 H new ATOM 0 HG2 MET C 45 33.959 25.458 12.046 1.00 0.00 H new ATOM 0 HG3 MET C 45 33.054 26.720 11.235 1.00 0.00 H new ATOM 0 HE1 MET C 45 33.143 23.929 8.553 1.00 0.00 H new ATOM 0 HE2 MET C 45 33.027 23.756 10.321 1.00 0.00 H new ATOM 0 HE3 MET C 45 32.153 25.068 9.496 1.00 0.00 H new ATOM 697 N ARG C 46 37.649 28.244 13.343 1.00 0.00 N ATOM 698 CA ARG C 46 38.694 29.241 13.509 1.00 0.00 C ATOM 699 C ARG C 46 40.054 28.637 13.162 1.00 0.00 C ATOM 700 O ARG C 46 40.895 29.297 12.554 1.00 0.00 O ATOM 701 CB ARG C 46 38.708 29.741 14.956 1.00 0.00 C ATOM 702 CG ARG C 46 39.588 30.986 15.063 1.00 0.00 C ATOM 703 CD ARG C 46 39.763 31.366 16.535 1.00 0.00 C ATOM 704 NE ARG C 46 41.082 30.961 17.007 1.00 0.00 N ATOM 705 CZ ARG C 46 41.341 30.839 18.305 1.00 0.00 C ATOM 706 NH1 ARG C 46 40.403 31.071 19.181 1.00 0.00 N ATOM 707 NH2 ARG C 46 42.533 30.487 18.702 1.00 0.00 N1+ ATOM 0 H ARG C 46 37.055 28.110 14.161 1.00 0.00 H new ATOM 0 HA ARG C 46 38.494 30.078 12.839 1.00 0.00 H new ATOM 0 HB2 ARG C 46 37.693 29.972 15.281 1.00 0.00 H new ATOM 0 HB3 ARG C 46 39.084 28.960 15.617 1.00 0.00 H new ATOM 0 HG2 ARG C 46 40.560 30.797 14.608 1.00 0.00 H new ATOM 0 HG3 ARG C 46 39.135 31.812 14.515 1.00 0.00 H new ATOM 0 HD2 ARG C 46 39.640 32.442 16.657 1.00 0.00 H new ATOM 0 HD3 ARG C 46 38.991 30.886 17.136 1.00 0.00 H new ATOM 0 HE ARG C 46 41.819 30.768 16.329 1.00 0.00 H new ATOM 0 HH11 ARG C 46 39.471 31.346 18.870 1.00 0.00 H new ATOM 0 HH12 ARG C 46 40.601 30.978 20.177 1.00 0.00 H new ATOM 0 HH21 ARG C 46 43.266 30.305 18.016 1.00 0.00 H new ATOM 0 HH22 ARG C 46 42.732 30.393 19.698 1.00 0.00 H new ATOM 721 N MET C 47 40.262 27.383 13.543 1.00 0.00 N ATOM 722 CA MET C 47 41.522 26.710 13.250 1.00 0.00 C ATOM 723 C MET C 47 41.621 26.377 11.766 1.00 0.00 C ATOM 724 O MET C 47 42.712 26.162 11.236 1.00 0.00 O ATOM 725 CB MET C 47 41.645 25.435 14.086 1.00 0.00 C ATOM 726 CG MET C 47 41.889 25.810 15.553 1.00 0.00 C ATOM 727 SD MET C 47 42.229 24.316 16.519 1.00 0.00 S ATOM 728 CE MET C 47 40.514 23.778 16.737 1.00 0.00 C ATOM 0 H MET C 47 39.583 26.816 14.050 1.00 0.00 H new ATOM 0 HA MET C 47 42.340 27.382 13.508 1.00 0.00 H new ATOM 0 HB2 MET C 47 40.736 24.840 13.998 1.00 0.00 H new ATOM 0 HB3 MET C 47 42.466 24.821 13.715 1.00 0.00 H new ATOM 0 HG2 MET C 47 42.729 26.501 15.627 1.00 0.00 H new ATOM 0 HG3 MET C 47 41.017 26.324 15.956 1.00 0.00 H new ATOM 0 HE1 MET C 47 40.479 22.951 17.446 1.00 0.00 H new ATOM 0 HE2 MET C 47 39.918 24.608 17.117 1.00 0.00 H new ATOM 0 HE3 MET C 47 40.111 23.451 15.779 1.00 0.00 H new ATOM 738 N LEU C 48 40.473 26.334 11.104 1.00 0.00 N ATOM 739 CA LEU C 48 40.428 26.024 9.678 1.00 0.00 C ATOM 740 C LEU C 48 40.633 27.286 8.852 1.00 0.00 C ATOM 741 O LEU C 48 40.688 27.233 7.623 1.00 0.00 O ATOM 742 CB LEU C 48 39.082 25.389 9.320 1.00 0.00 C ATOM 743 CG LEU C 48 38.982 24.004 9.971 1.00 0.00 C ATOM 744 CD1 LEU C 48 37.554 23.475 9.827 1.00 0.00 C ATOM 745 CD2 LEU C 48 39.956 23.023 9.298 1.00 0.00 C ATOM 0 H LEU C 48 39.562 26.509 11.528 1.00 0.00 H new ATOM 0 HA LEU C 48 41.230 25.320 9.453 1.00 0.00 H new ATOM 0 HB2 LEU C 48 38.265 26.024 9.663 1.00 0.00 H new ATOM 0 HB3 LEU C 48 38.985 25.302 8.238 1.00 0.00 H new ATOM 0 HG LEU C 48 39.241 24.093 11.026 1.00 0.00 H new ATOM 0 HD11 LEU C 48 37.482 22.491 10.289 1.00 0.00 H new ATOM 0 HD12 LEU C 48 36.862 24.158 10.319 1.00 0.00 H new ATOM 0 HD13 LEU C 48 37.299 23.399 8.770 1.00 0.00 H new ATOM 0 HD21 LEU C 48 39.873 22.045 9.772 1.00 0.00 H new ATOM 0 HD22 LEU C 48 39.711 22.936 8.239 1.00 0.00 H new ATOM 0 HD23 LEU C 48 40.976 23.392 9.405 1.00 0.00 H new ATOM 757 N GLY C 49 40.745 28.419 9.534 1.00 0.00 N ATOM 758 CA GLY C 49 40.942 29.692 8.853 1.00 0.00 C ATOM 759 C GLY C 49 39.620 30.254 8.344 1.00 0.00 C ATOM 760 O GLY C 49 39.602 31.144 7.494 1.00 0.00 O ATOM 0 H GLY C 49 40.703 28.483 10.551 1.00 0.00 H new ATOM 0 HA2 GLY C 49 41.405 30.405 9.535 1.00 0.00 H new ATOM 0 HA3 GLY C 49 41.629 29.558 8.018 1.00 0.00 H new ATOM 764 N GLN C 50 38.515 29.730 8.872 1.00 0.00 N ATOM 765 CA GLN C 50 37.188 30.184 8.468 1.00 0.00 C ATOM 766 C GLN C 50 36.467 30.828 9.645 1.00 0.00 C ATOM 767 O GLN C 50 36.469 30.299 10.758 1.00 0.00 O ATOM 768 CB GLN C 50 36.368 28.999 7.949 1.00 0.00 C ATOM 769 CG GLN C 50 37.047 28.395 6.713 1.00 0.00 C ATOM 770 CD GLN C 50 37.111 29.428 5.592 1.00 0.00 C ATOM 771 OE1 GLN C 50 36.117 30.095 5.307 1.00 0.00 O ATOM 772 NE2 GLN C 50 38.225 29.602 4.939 1.00 0.00 N ATOM 0 H GLN C 50 38.513 28.994 9.578 1.00 0.00 H new ATOM 0 HA GLN C 50 37.299 30.923 7.675 1.00 0.00 H new ATOM 0 HB2 GLN C 50 36.272 28.243 8.728 1.00 0.00 H new ATOM 0 HB3 GLN C 50 35.359 29.326 7.697 1.00 0.00 H new ATOM 0 HG2 GLN C 50 38.053 28.061 6.968 1.00 0.00 H new ATOM 0 HG3 GLN C 50 36.495 27.517 6.378 1.00 0.00 H new ATOM 0 HE21 GLN C 50 39.048 29.048 5.177 1.00 0.00 H new ATOM 0 HE22 GLN C 50 38.274 30.292 4.190 1.00 0.00 H new ATOM 781 N ASN C 51 35.852 31.977 9.387 1.00 0.00 N ATOM 782 CA ASN C 51 35.124 32.700 10.423 1.00 0.00 C ATOM 783 C ASN C 51 33.749 33.124 9.915 1.00 0.00 C ATOM 784 O ASN C 51 33.496 34.308 9.693 1.00 0.00 O ATOM 785 CB ASN C 51 35.916 33.937 10.855 1.00 0.00 C ATOM 786 CG ASN C 51 36.238 34.801 9.641 1.00 0.00 C ATOM 787 OD1 ASN C 51 36.797 34.313 8.659 1.00 0.00 O ATOM 788 ND2 ASN C 51 35.909 36.064 9.647 1.00 0.00 N ATOM 0 H ASN C 51 35.843 32.427 8.472 1.00 0.00 H new ATOM 0 HA ASN C 51 34.994 32.037 11.278 1.00 0.00 H new ATOM 0 HB2 ASN C 51 35.340 34.513 11.579 1.00 0.00 H new ATOM 0 HB3 ASN C 51 36.838 33.634 11.350 1.00 0.00 H new ATOM 0 HD21 ASN C 51 36.115 36.649 8.837 1.00 0.00 H new ATOM 0 HD22 ASN C 51 35.446 36.466 10.462 1.00 0.00 H new ATOM 795 N PRO C 52 32.869 32.179 9.728 1.00 0.00 N ATOM 796 CA PRO C 52 31.491 32.445 9.232 1.00 0.00 C ATOM 797 C PRO C 52 30.604 33.040 10.308 1.00 0.00 C ATOM 798 O PRO C 52 31.082 33.417 11.379 1.00 0.00 O ATOM 799 CB PRO C 52 30.989 31.071 8.804 1.00 0.00 C ATOM 800 CG PRO C 52 31.743 30.103 9.644 1.00 0.00 C ATOM 801 CD PRO C 52 33.086 30.743 9.971 1.00 0.00 C ATOM 0 HA PRO C 52 31.479 33.175 8.423 1.00 0.00 H new ATOM 0 HB2 PRO C 52 29.915 30.977 8.963 1.00 0.00 H new ATOM 0 HB3 PRO C 52 31.171 30.898 7.743 1.00 0.00 H new ATOM 0 HG2 PRO C 52 31.193 29.875 10.557 1.00 0.00 H new ATOM 0 HG3 PRO C 52 31.884 29.161 9.114 1.00 0.00 H new ATOM 0 HD2 PRO C 52 33.377 30.553 11.004 1.00 0.00 H new ATOM 0 HD3 PRO C 52 33.881 30.347 9.338 1.00 0.00 H new ATOM 809 N THR C 53 29.314 33.127 10.012 1.00 0.00 N ATOM 810 CA THR C 53 28.362 33.686 10.965 1.00 0.00 C ATOM 811 C THR C 53 27.417 32.605 11.492 1.00 0.00 C ATOM 812 O THR C 53 27.132 31.633 10.790 1.00 0.00 O ATOM 813 CB THR C 53 27.553 34.806 10.306 1.00 0.00 C ATOM 814 OG1 THR C 53 27.098 34.385 9.028 1.00 0.00 O ATOM 815 CG2 THR C 53 28.427 36.053 10.170 1.00 0.00 C ATOM 0 H THR C 53 28.905 32.821 9.129 1.00 0.00 H new ATOM 0 HA THR C 53 28.923 34.094 11.806 1.00 0.00 H new ATOM 0 HB THR C 53 26.688 35.042 10.925 1.00 0.00 H new ATOM 0 HG1 THR C 53 26.580 35.105 8.612 1.00 0.00 H new ATOM 0 HG21 THR C 53 27.852 36.851 9.701 1.00 0.00 H new ATOM 0 HG22 THR C 53 28.757 36.376 11.158 1.00 0.00 H new ATOM 0 HG23 THR C 53 29.297 35.822 9.555 1.00 0.00 H new ATOM 823 N PRO C 54 26.916 32.755 12.697 1.00 0.00 N ATOM 824 CA PRO C 54 25.975 31.768 13.296 1.00 0.00 C ATOM 825 C PRO C 54 24.876 31.349 12.319 1.00 0.00 C ATOM 826 O PRO C 54 24.440 30.200 12.322 1.00 0.00 O ATOM 827 CB PRO C 54 25.368 32.533 14.476 1.00 0.00 C ATOM 828 CG PRO C 54 26.399 33.530 14.878 1.00 0.00 C ATOM 829 CD PRO C 54 27.204 33.866 13.632 1.00 0.00 C ATOM 0 HA PRO C 54 26.478 30.843 13.578 1.00 0.00 H new ATOM 0 HB2 PRO C 54 24.438 33.024 14.188 1.00 0.00 H new ATOM 0 HB3 PRO C 54 25.131 31.860 15.300 1.00 0.00 H new ATOM 0 HG2 PRO C 54 25.931 34.425 15.287 1.00 0.00 H new ATOM 0 HG3 PRO C 54 27.045 33.124 15.656 1.00 0.00 H new ATOM 0 HD2 PRO C 54 26.904 34.826 13.212 1.00 0.00 H new ATOM 0 HD3 PRO C 54 28.269 33.933 13.853 1.00 0.00 H new ATOM 837 N GLU C 55 24.427 32.285 11.489 1.00 0.00 N ATOM 838 CA GLU C 55 23.372 31.987 10.527 1.00 0.00 C ATOM 839 C GLU C 55 23.854 30.957 9.512 1.00 0.00 C ATOM 840 O GLU C 55 23.130 30.026 9.157 1.00 0.00 O ATOM 841 CB GLU C 55 22.981 33.269 9.788 1.00 0.00 C ATOM 842 CG GLU C 55 22.487 34.295 10.798 1.00 0.00 C ATOM 843 CD GLU C 55 21.225 33.794 11.498 1.00 0.00 C ATOM 844 OE1 GLU C 55 20.487 33.044 10.881 1.00 0.00 O ATOM 845 OE2 GLU C 55 21.021 34.162 12.643 1.00 0.00 O1- ATOM 0 H GLU C 55 24.772 33.245 11.462 1.00 0.00 H new ATOM 0 HA GLU C 55 22.512 31.585 11.063 1.00 0.00 H new ATOM 0 HB2 GLU C 55 23.837 33.663 9.240 1.00 0.00 H new ATOM 0 HB3 GLU C 55 22.202 33.058 9.055 1.00 0.00 H new ATOM 0 HG2 GLU C 55 23.265 34.491 11.536 1.00 0.00 H new ATOM 0 HG3 GLU C 55 22.280 35.239 10.294 1.00 0.00 H new ATOM 852 N GLU C 56 25.082 31.133 9.053 1.00 0.00 N ATOM 853 CA GLU C 56 25.657 30.207 8.069 1.00 0.00 C ATOM 854 C GLU C 56 25.922 28.851 8.708 1.00 0.00 C ATOM 855 O GLU C 56 25.668 27.804 8.111 1.00 0.00 O ATOM 856 CB GLU C 56 26.970 30.771 7.512 1.00 0.00 C ATOM 857 CG GLU C 56 26.688 32.077 6.775 1.00 0.00 C ATOM 858 CD GLU C 56 25.779 31.830 5.573 1.00 0.00 C ATOM 859 OE1 GLU C 56 25.892 30.772 4.974 1.00 0.00 O ATOM 860 OE2 GLU C 56 24.975 32.699 5.274 1.00 0.00 O1- ATOM 0 H GLU C 56 25.699 31.894 9.336 1.00 0.00 H new ATOM 0 HA GLU C 56 24.942 30.087 7.255 1.00 0.00 H new ATOM 0 HB2 GLU C 56 27.678 30.944 8.323 1.00 0.00 H new ATOM 0 HB3 GLU C 56 27.430 30.051 6.835 1.00 0.00 H new ATOM 0 HG2 GLU C 56 26.218 32.789 7.453 1.00 0.00 H new ATOM 0 HG3 GLU C 56 27.625 32.523 6.443 1.00 0.00 H new ATOM 867 N LEU C 57 26.427 28.886 9.927 1.00 0.00 N ATOM 868 CA LEU C 57 26.722 27.655 10.656 1.00 0.00 C ATOM 869 C LEU C 57 25.439 26.889 10.933 1.00 0.00 C ATOM 870 O LEU C 57 25.410 25.659 10.874 1.00 0.00 O ATOM 871 CB LEU C 57 27.438 27.969 11.975 1.00 0.00 C ATOM 872 CG LEU C 57 28.841 28.517 11.679 1.00 0.00 C ATOM 873 CD1 LEU C 57 29.492 28.985 12.979 1.00 0.00 C ATOM 874 CD2 LEU C 57 29.715 27.434 11.029 1.00 0.00 C ATOM 0 H LEU C 57 26.642 29.744 10.435 1.00 0.00 H new ATOM 0 HA LEU C 57 27.378 27.039 10.040 1.00 0.00 H new ATOM 0 HB2 LEU C 57 26.865 28.698 12.548 1.00 0.00 H new ATOM 0 HB3 LEU C 57 27.509 27.069 12.586 1.00 0.00 H new ATOM 0 HG LEU C 57 28.751 29.356 10.989 1.00 0.00 H new ATOM 0 HD11 LEU C 57 30.488 29.374 12.768 1.00 0.00 H new ATOM 0 HD12 LEU C 57 28.884 29.770 13.428 1.00 0.00 H new ATOM 0 HD13 LEU C 57 29.569 28.146 13.670 1.00 0.00 H new ATOM 0 HD21 LEU C 57 30.706 27.840 10.826 1.00 0.00 H new ATOM 0 HD22 LEU C 57 29.803 26.583 11.705 1.00 0.00 H new ATOM 0 HD23 LEU C 57 29.257 27.110 10.094 1.00 0.00 H new ATOM 886 N GLN C 58 24.381 27.625 11.236 1.00 0.00 N ATOM 887 CA GLN C 58 23.093 27.005 11.519 1.00 0.00 C ATOM 888 C GLN C 58 22.586 26.239 10.303 1.00 0.00 C ATOM 889 O GLN C 58 22.083 25.122 10.427 1.00 0.00 O ATOM 890 CB GLN C 58 22.073 28.075 11.918 1.00 0.00 C ATOM 891 CG GLN C 58 20.746 27.411 12.302 1.00 0.00 C ATOM 892 CD GLN C 58 19.935 27.098 11.048 1.00 0.00 C ATOM 893 OE1 GLN C 58 20.024 27.817 10.053 1.00 0.00 O ATOM 894 NE2 GLN C 58 19.144 26.060 11.034 1.00 0.00 N ATOM 0 H GLN C 58 24.386 28.643 11.292 1.00 0.00 H new ATOM 0 HA GLN C 58 23.223 26.304 12.344 1.00 0.00 H new ATOM 0 HB2 GLN C 58 22.454 28.659 12.756 1.00 0.00 H new ATOM 0 HB3 GLN C 58 21.917 28.768 11.091 1.00 0.00 H new ATOM 0 HG2 GLN C 58 20.937 26.494 12.859 1.00 0.00 H new ATOM 0 HG3 GLN C 58 20.177 28.070 12.958 1.00 0.00 H new ATOM 0 HE21 GLN C 58 19.070 25.464 11.858 1.00 0.00 H new ATOM 0 HE22 GLN C 58 18.600 25.845 10.199 1.00 0.00 H new ATOM 903 N GLU C 59 22.726 26.844 9.126 1.00 0.00 N ATOM 904 CA GLU C 59 22.283 26.211 7.897 1.00 0.00 C ATOM 905 C GLU C 59 23.079 24.938 7.636 1.00 0.00 C ATOM 906 O GLU C 59 22.525 23.924 7.211 1.00 0.00 O ATOM 907 CB GLU C 59 22.458 27.181 6.726 1.00 0.00 C ATOM 908 CG GLU C 59 21.893 26.547 5.459 1.00 0.00 C ATOM 909 CD GLU C 59 21.879 27.566 4.323 1.00 0.00 C ATOM 910 OE1 GLU C 59 21.026 28.438 4.347 1.00 0.00 O ATOM 911 OE2 GLU C 59 22.720 27.460 3.446 1.00 0.00 O1- ATOM 0 H GLU C 59 23.141 27.767 9.002 1.00 0.00 H new ATOM 0 HA GLU C 59 21.230 25.949 7.997 1.00 0.00 H new ATOM 0 HB2 GLU C 59 21.946 28.120 6.937 1.00 0.00 H new ATOM 0 HB3 GLU C 59 23.513 27.417 6.589 1.00 0.00 H new ATOM 0 HG2 GLU C 59 22.495 25.684 5.176 1.00 0.00 H new ATOM 0 HG3 GLU C 59 20.882 26.184 5.645 1.00 0.00 H new ATOM 918 N MET C 60 24.381 24.995 7.889 1.00 0.00 N ATOM 919 CA MET C 60 25.240 23.840 7.672 1.00 0.00 C ATOM 920 C MET C 60 24.794 22.676 8.550 1.00 0.00 C ATOM 921 O MET C 60 24.714 21.535 8.095 1.00 0.00 O ATOM 922 CB MET C 60 26.687 24.208 8.008 1.00 0.00 C ATOM 923 CG MET C 60 27.219 25.197 6.967 1.00 0.00 C ATOM 924 SD MET C 60 27.442 24.353 5.376 1.00 0.00 S ATOM 925 CE MET C 60 28.978 23.470 5.765 1.00 0.00 C ATOM 0 H MET C 60 24.861 25.823 8.242 1.00 0.00 H new ATOM 0 HA MET C 60 25.170 23.541 6.626 1.00 0.00 H new ATOM 0 HB2 MET C 60 26.739 24.649 9.004 1.00 0.00 H new ATOM 0 HB3 MET C 60 27.307 23.312 8.023 1.00 0.00 H new ATOM 0 HG2 MET C 60 26.524 26.029 6.854 1.00 0.00 H new ATOM 0 HG3 MET C 60 28.167 25.617 7.302 1.00 0.00 H new ATOM 0 HE1 MET C 60 29.706 23.640 4.972 1.00 0.00 H new ATOM 0 HE2 MET C 60 29.379 23.836 6.710 1.00 0.00 H new ATOM 0 HE3 MET C 60 28.773 22.403 5.847 1.00 0.00 H new ATOM 935 N ILE C 61 24.495 22.977 9.811 1.00 0.00 N ATOM 936 CA ILE C 61 24.046 21.949 10.741 1.00 0.00 C ATOM 937 C ILE C 61 22.698 21.391 10.309 1.00 0.00 C ATOM 938 O ILE C 61 22.492 20.182 10.299 1.00 0.00 O ATOM 939 CB ILE C 61 23.926 22.523 12.146 1.00 0.00 C ATOM 940 CG1 ILE C 61 25.322 22.873 12.660 1.00 0.00 C ATOM 941 CG2 ILE C 61 23.281 21.482 13.070 1.00 0.00 C ATOM 942 CD1 ILE C 61 25.198 23.660 13.960 1.00 0.00 C ATOM 0 H ILE C 61 24.555 23.915 10.208 1.00 0.00 H new ATOM 0 HA ILE C 61 24.783 21.146 10.740 1.00 0.00 H new ATOM 0 HB ILE C 61 23.306 23.419 12.129 1.00 0.00 H new ATOM 0 HG12 ILE C 61 25.900 21.964 12.826 1.00 0.00 H new ATOM 0 HG13 ILE C 61 25.859 23.461 11.916 1.00 0.00 H new ATOM 0 HG21 ILE C 61 23.195 21.892 14.076 1.00 0.00 H new ATOM 0 HG22 ILE C 61 22.289 21.228 12.696 1.00 0.00 H new ATOM 0 HG23 ILE C 61 23.900 20.585 13.096 1.00 0.00 H new ATOM 0 HD11 ILE C 61 26.192 23.911 14.329 1.00 0.00 H new ATOM 0 HD12 ILE C 61 24.636 24.576 13.779 1.00 0.00 H new ATOM 0 HD13 ILE C 61 24.677 23.056 14.703 1.00 0.00 H new ATOM 954 N ASP C 62 21.783 22.294 9.957 1.00 0.00 N ATOM 955 CA ASP C 62 20.440 21.899 9.540 1.00 0.00 C ATOM 956 C ASP C 62 20.498 20.944 8.352 1.00 0.00 C ATOM 957 O ASP C 62 19.659 20.054 8.216 1.00 0.00 O ATOM 958 CB ASP C 62 19.610 23.131 9.169 1.00 0.00 C ATOM 959 CG ASP C 62 18.149 22.733 8.978 1.00 0.00 C ATOM 960 OD1 ASP C 62 17.548 22.278 9.940 1.00 0.00 O ATOM 961 OD2 ASP C 62 17.650 22.886 7.875 1.00 0.00 O1- ATOM 0 H ASP C 62 21.947 23.301 9.953 1.00 0.00 H new ATOM 0 HA ASP C 62 19.967 21.387 10.378 1.00 0.00 H new ATOM 0 HB2 ASP C 62 19.692 23.885 9.952 1.00 0.00 H new ATOM 0 HB3 ASP C 62 19.997 23.579 8.254 1.00 0.00 H new ATOM 966 N GLU C 63 21.488 21.143 7.489 1.00 0.00 N ATOM 967 CA GLU C 63 21.649 20.305 6.311 1.00 0.00 C ATOM 968 C GLU C 63 21.857 18.843 6.707 1.00 0.00 C ATOM 969 O GLU C 63 21.339 17.938 6.053 1.00 0.00 O ATOM 970 CB GLU C 63 22.848 20.792 5.498 1.00 0.00 C ATOM 971 CG GLU C 63 22.957 19.968 4.218 1.00 0.00 C ATOM 972 CD GLU C 63 24.087 20.499 3.344 1.00 0.00 C ATOM 973 OE1 GLU C 63 25.203 20.576 3.832 1.00 0.00 O ATOM 974 OE2 GLU C 63 23.822 20.819 2.196 1.00 0.00 O1- ATOM 0 H GLU C 63 22.190 21.877 7.585 1.00 0.00 H new ATOM 0 HA GLU C 63 20.742 20.374 5.710 1.00 0.00 H new ATOM 0 HB2 GLU C 63 22.733 21.848 5.255 1.00 0.00 H new ATOM 0 HB3 GLU C 63 23.762 20.697 6.084 1.00 0.00 H new ATOM 0 HG2 GLU C 63 23.139 18.922 4.465 1.00 0.00 H new ATOM 0 HG3 GLU C 63 22.015 20.007 3.671 1.00 0.00 H new ATOM 981 N VAL C 64 22.624 18.621 7.769 1.00 0.00 N ATOM 982 CA VAL C 64 22.902 17.263 8.233 1.00 0.00 C ATOM 983 C VAL C 64 22.101 16.941 9.493 1.00 0.00 C ATOM 984 O VAL C 64 22.285 15.889 10.104 1.00 0.00 O ATOM 985 CB VAL C 64 24.395 17.114 8.521 1.00 0.00 C ATOM 986 CG1 VAL C 64 25.169 17.079 7.201 1.00 0.00 C ATOM 987 CG2 VAL C 64 24.873 18.307 9.353 1.00 0.00 C ATOM 0 H VAL C 64 23.062 19.357 8.323 1.00 0.00 H new ATOM 0 HA VAL C 64 22.607 16.565 7.450 1.00 0.00 H new ATOM 0 HB VAL C 64 24.568 16.189 9.071 1.00 0.00 H new ATOM 0 HG11 VAL C 64 26.234 16.973 7.407 1.00 0.00 H new ATOM 0 HG12 VAL C 64 24.829 16.234 6.602 1.00 0.00 H new ATOM 0 HG13 VAL C 64 24.996 18.005 6.653 1.00 0.00 H new ATOM 0 HG21 VAL C 64 25.938 18.203 9.560 1.00 0.00 H new ATOM 0 HG22 VAL C 64 24.699 19.230 8.799 1.00 0.00 H new ATOM 0 HG23 VAL C 64 24.322 18.339 10.293 1.00 0.00 H new ATOM 997 N ASP C 65 21.216 17.850 9.876 1.00 0.00 N ATOM 998 CA ASP C 65 20.393 17.646 11.065 1.00 0.00 C ATOM 999 C ASP C 65 19.151 16.828 10.729 1.00 0.00 C ATOM 1000 O ASP C 65 18.458 17.107 9.750 1.00 0.00 O ATOM 1001 CB ASP C 65 19.954 18.985 11.637 1.00 0.00 C ATOM 1002 CG ASP C 65 19.367 18.790 13.023 1.00 0.00 C ATOM 1003 OD1 ASP C 65 19.195 17.649 13.413 1.00 0.00 O ATOM 1004 OD2 ASP C 65 19.103 19.786 13.673 1.00 0.00 O1- ATOM 0 H ASP C 65 21.048 18.729 9.387 1.00 0.00 H new ATOM 0 HA ASP C 65 20.994 17.108 11.798 1.00 0.00 H new ATOM 0 HB2 ASP C 65 20.804 19.665 11.686 1.00 0.00 H new ATOM 0 HB3 ASP C 65 19.215 19.445 10.981 1.00 0.00 H new ATOM 1009 N GLU C 66 18.871 15.822 11.549 1.00 0.00 N ATOM 1010 CA GLU C 66 17.701 14.977 11.334 1.00 0.00 C ATOM 1011 C GLU C 66 16.455 15.594 11.967 1.00 0.00 C ATOM 1012 O GLU C 66 15.348 15.456 11.446 1.00 0.00 O ATOM 1013 CB GLU C 66 17.941 13.591 11.929 1.00 0.00 C ATOM 1014 CG GLU C 66 19.076 12.903 11.170 1.00 0.00 C ATOM 1015 CD GLU C 66 19.292 11.498 11.720 1.00 0.00 C ATOM 1016 OE1 GLU C 66 18.670 11.171 12.717 1.00 0.00 O ATOM 1017 OE2 GLU C 66 20.074 10.768 11.134 1.00 0.00 O1- ATOM 0 H GLU C 66 19.433 15.572 12.363 1.00 0.00 H new ATOM 0 HA GLU C 66 17.539 14.892 10.259 1.00 0.00 H new ATOM 0 HB2 GLU C 66 18.194 13.676 12.986 1.00 0.00 H new ATOM 0 HB3 GLU C 66 17.032 12.993 11.866 1.00 0.00 H new ATOM 0 HG2 GLU C 66 18.837 12.854 10.108 1.00 0.00 H new ATOM 0 HG3 GLU C 66 19.993 13.485 11.264 1.00 0.00 H new ATOM 1024 N ASP C 67 16.644 16.270 13.098 1.00 0.00 N ATOM 1025 CA ASP C 67 15.528 16.900 13.797 1.00 0.00 C ATOM 1026 C ASP C 67 15.504 18.404 13.555 1.00 0.00 C ATOM 1027 O ASP C 67 14.537 19.081 13.900 1.00 0.00 O ATOM 1028 CB ASP C 67 15.634 16.617 15.297 1.00 0.00 C ATOM 1029 CG ASP C 67 16.919 17.222 15.850 1.00 0.00 C ATOM 1030 OD1 ASP C 67 17.610 17.881 15.096 1.00 0.00 O ATOM 1031 OD2 ASP C 67 17.193 17.014 17.021 1.00 0.00 O1- ATOM 0 H ASP C 67 17.552 16.395 13.546 1.00 0.00 H new ATOM 0 HA ASP C 67 14.600 16.480 13.408 1.00 0.00 H new ATOM 0 HB2 ASP C 67 14.772 17.035 15.817 1.00 0.00 H new ATOM 0 HB3 ASP C 67 15.622 15.542 15.475 1.00 0.00 H new ATOM 1036 N GLY C 68 16.566 18.920 12.953 1.00 0.00 N ATOM 1037 CA GLY C 68 16.639 20.347 12.664 1.00 0.00 C ATOM 1038 C GLY C 68 16.810 21.153 13.945 1.00 0.00 C ATOM 1039 O GLY C 68 16.576 22.360 13.965 1.00 0.00 O ATOM 0 H GLY C 68 17.380 18.381 12.658 1.00 0.00 H new ATOM 0 HA2 GLY C 68 17.474 20.544 11.992 1.00 0.00 H new ATOM 0 HA3 GLY C 68 15.733 20.664 12.148 1.00 0.00 H new ATOM 1043 N SER C 69 17.215 20.476 15.011 1.00 0.00 N ATOM 1044 CA SER C 69 17.413 21.140 16.294 1.00 0.00 C ATOM 1045 C SER C 69 18.514 22.195 16.193 1.00 0.00 C ATOM 1046 O SER C 69 18.605 23.091 17.034 1.00 0.00 O ATOM 1047 CB SER C 69 17.780 20.119 17.369 1.00 0.00 C ATOM 1048 OG SER C 69 19.031 19.525 17.047 1.00 0.00 O ATOM 0 H SER C 69 17.412 19.475 15.015 1.00 0.00 H new ATOM 0 HA SER C 69 16.479 21.631 16.568 1.00 0.00 H new ATOM 0 HB2 SER C 69 17.835 20.604 18.344 1.00 0.00 H new ATOM 0 HB3 SER C 69 17.008 19.353 17.438 1.00 0.00 H new ATOM 0 HG SER C 69 18.911 18.885 16.314 1.00 0.00 H new ATOM 1054 N GLY C 70 19.351 22.083 15.164 1.00 0.00 N ATOM 1055 CA GLY C 70 20.441 23.029 14.970 1.00 0.00 C ATOM 1056 C GLY C 70 21.732 22.501 15.580 1.00 0.00 C ATOM 1057 O GLY C 70 22.747 23.196 15.603 1.00 0.00 O ATOM 0 H GLY C 70 19.294 21.350 14.457 1.00 0.00 H new ATOM 0 HA2 GLY C 70 20.585 23.211 13.905 1.00 0.00 H new ATOM 0 HA3 GLY C 70 20.183 23.985 15.425 1.00 0.00 H new ATOM 1061 N THR C 71 21.683 21.266 16.070 1.00 0.00 N ATOM 1062 CA THR C 71 22.855 20.643 16.677 1.00 0.00 C ATOM 1063 C THR C 71 23.042 19.225 16.150 1.00 0.00 C ATOM 1064 O THR C 71 22.110 18.633 15.603 1.00 0.00 O ATOM 1065 CB THR C 71 22.703 20.611 18.199 1.00 0.00 C ATOM 1066 OG1 THR C 71 21.565 19.832 18.542 1.00 0.00 O ATOM 1067 CG2 THR C 71 22.530 22.036 18.723 1.00 0.00 C ATOM 0 H THR C 71 20.849 20.679 16.059 1.00 0.00 H new ATOM 0 HA THR C 71 23.733 21.233 16.414 1.00 0.00 H new ATOM 0 HB THR C 71 23.593 20.168 18.647 1.00 0.00 H new ATOM 0 HG1 THR C 71 20.911 19.869 17.813 1.00 0.00 H new ATOM 0 HG21 THR C 71 22.422 22.014 19.807 1.00 0.00 H new ATOM 0 HG22 THR C 71 23.405 22.630 18.458 1.00 0.00 H new ATOM 0 HG23 THR C 71 21.640 22.482 18.278 1.00 0.00 H new ATOM 1075 N VAL C 72 24.246 18.685 16.319 1.00 0.00 N ATOM 1076 CA VAL C 72 24.538 17.335 15.855 1.00 0.00 C ATOM 1077 C VAL C 72 24.765 16.407 17.046 1.00 0.00 C ATOM 1078 O VAL C 72 25.641 16.647 17.877 1.00 0.00 O ATOM 1079 CB VAL C 72 25.788 17.347 14.968 1.00 0.00 C ATOM 1080 CG1 VAL C 72 26.065 15.938 14.442 1.00 0.00 C ATOM 1081 CG2 VAL C 72 25.570 18.301 13.791 1.00 0.00 C ATOM 0 H VAL C 72 25.029 19.158 16.770 1.00 0.00 H new ATOM 0 HA VAL C 72 23.688 16.972 15.277 1.00 0.00 H new ATOM 0 HB VAL C 72 26.642 17.683 15.555 1.00 0.00 H new ATOM 0 HG11 VAL C 72 26.955 15.953 13.812 1.00 0.00 H new ATOM 0 HG12 VAL C 72 26.226 15.261 15.281 1.00 0.00 H new ATOM 0 HG13 VAL C 72 25.212 15.594 13.857 1.00 0.00 H new ATOM 0 HG21 VAL C 72 26.459 18.310 13.160 1.00 0.00 H new ATOM 0 HG22 VAL C 72 24.713 17.967 13.206 1.00 0.00 H new ATOM 0 HG23 VAL C 72 25.383 19.307 14.168 1.00 0.00 H new ATOM 1091 N ASP C 73 23.966 15.349 17.120 1.00 0.00 N ATOM 1092 CA ASP C 73 24.079 14.387 18.211 1.00 0.00 C ATOM 1093 C ASP C 73 25.053 13.267 17.848 1.00 0.00 C ATOM 1094 O ASP C 73 25.651 13.278 16.775 1.00 0.00 O ATOM 1095 CB ASP C 73 22.706 13.794 18.528 1.00 0.00 C ATOM 1096 CG ASP C 73 22.760 13.033 19.847 1.00 0.00 C ATOM 1097 OD1 ASP C 73 23.657 13.301 20.628 1.00 0.00 O ATOM 1098 OD2 ASP C 73 21.903 12.191 20.056 1.00 0.00 O1- ATOM 0 H ASP C 73 23.236 15.136 16.441 1.00 0.00 H new ATOM 0 HA ASP C 73 24.461 14.908 19.089 1.00 0.00 H new ATOM 0 HB2 ASP C 73 21.962 14.589 18.587 1.00 0.00 H new ATOM 0 HB3 ASP C 73 22.395 13.125 17.725 1.00 0.00 H new ATOM 1103 N PHE C 74 25.212 12.305 18.752 1.00 0.00 N ATOM 1104 CA PHE C 74 26.123 11.191 18.510 1.00 0.00 C ATOM 1105 C PHE C 74 25.730 10.408 17.257 1.00 0.00 C ATOM 1106 O PHE C 74 26.556 10.177 16.374 1.00 0.00 O ATOM 1107 CB PHE C 74 26.112 10.245 19.712 1.00 0.00 C ATOM 1108 CG PHE C 74 27.188 10.645 20.691 1.00 0.00 C ATOM 1109 CD1 PHE C 74 28.530 10.461 20.350 1.00 0.00 C ATOM 1110 CD2 PHE C 74 26.848 11.191 21.933 1.00 0.00 C ATOM 1111 CE1 PHE C 74 29.539 10.820 21.250 1.00 0.00 C ATOM 1112 CE2 PHE C 74 27.857 11.551 22.837 1.00 0.00 C ATOM 1113 CZ PHE C 74 29.202 11.367 22.494 1.00 0.00 C ATOM 0 H PHE C 74 24.728 12.273 19.649 1.00 0.00 H new ATOM 0 HA PHE C 74 27.121 11.603 18.362 1.00 0.00 H new ATOM 0 HB2 PHE C 74 25.137 10.273 20.199 1.00 0.00 H new ATOM 0 HB3 PHE C 74 26.273 9.219 19.380 1.00 0.00 H new ATOM 0 HD1 PHE C 74 28.789 10.041 19.389 1.00 0.00 H new ATOM 0 HD2 PHE C 74 25.810 11.335 22.195 1.00 0.00 H new ATOM 0 HE1 PHE C 74 30.576 10.675 20.986 1.00 0.00 H new ATOM 0 HE2 PHE C 74 27.597 11.970 23.798 1.00 0.00 H new ATOM 0 HZ PHE C 74 29.980 11.647 23.189 1.00 0.00 H new ATOM 1123 N ASP C 75 24.468 10.010 17.183 1.00 0.00 N ATOM 1124 CA ASP C 75 23.983 9.258 16.033 1.00 0.00 C ATOM 1125 C ASP C 75 24.036 10.123 14.776 1.00 0.00 C ATOM 1126 O ASP C 75 24.414 9.652 13.703 1.00 0.00 O ATOM 1127 CB ASP C 75 22.543 8.786 16.285 1.00 0.00 C ATOM 1128 CG ASP C 75 21.634 9.980 16.553 1.00 0.00 C ATOM 1129 OD1 ASP C 75 22.155 11.063 16.747 1.00 0.00 O ATOM 1130 OD2 ASP C 75 20.428 9.794 16.560 1.00 0.00 O1- ATOM 0 H ASP C 75 23.765 10.193 17.899 1.00 0.00 H new ATOM 0 HA ASP C 75 24.623 8.388 15.887 1.00 0.00 H new ATOM 0 HB2 ASP C 75 22.179 8.230 15.421 1.00 0.00 H new ATOM 0 HB3 ASP C 75 22.520 8.105 17.136 1.00 0.00 H new ATOM 1135 N GLU C 76 23.665 11.390 14.919 1.00 0.00 N ATOM 1136 CA GLU C 76 23.682 12.312 13.792 1.00 0.00 C ATOM 1137 C GLU C 76 25.107 12.514 13.299 1.00 0.00 C ATOM 1138 O GLU C 76 25.357 12.592 12.095 1.00 0.00 O ATOM 1139 CB GLU C 76 23.076 13.655 14.203 1.00 0.00 C ATOM 1140 CG GLU C 76 21.568 13.495 14.416 1.00 0.00 C ATOM 1141 CD GLU C 76 20.974 14.797 14.945 1.00 0.00 C ATOM 1142 OE1 GLU C 76 21.744 15.663 15.325 1.00 0.00 O ATOM 1143 OE2 GLU C 76 19.760 14.909 14.957 1.00 0.00 O1- ATOM 0 H GLU C 76 23.351 11.800 15.799 1.00 0.00 H new ATOM 0 HA GLU C 76 23.087 11.887 12.984 1.00 0.00 H new ATOM 0 HB2 GLU C 76 23.547 14.013 15.119 1.00 0.00 H new ATOM 0 HB3 GLU C 76 23.267 14.403 13.433 1.00 0.00 H new ATOM 0 HG2 GLU C 76 21.087 13.221 13.477 1.00 0.00 H new ATOM 0 HG3 GLU C 76 21.376 12.686 15.120 1.00 0.00 H new ATOM 1150 N PHE C 77 26.041 12.596 14.243 1.00 0.00 N ATOM 1151 CA PHE C 77 27.445 12.784 13.907 1.00 0.00 C ATOM 1152 C PHE C 77 27.955 11.597 13.101 1.00 0.00 C ATOM 1153 O PHE C 77 28.684 11.755 12.129 1.00 0.00 O ATOM 1154 CB PHE C 77 28.283 12.930 15.181 1.00 0.00 C ATOM 1155 CG PHE C 77 29.703 13.275 14.811 1.00 0.00 C ATOM 1156 CD1 PHE C 77 30.067 14.610 14.591 1.00 0.00 C ATOM 1157 CD2 PHE C 77 30.655 12.262 14.687 1.00 0.00 C ATOM 1158 CE1 PHE C 77 31.387 14.926 14.249 1.00 0.00 C ATOM 1159 CE2 PHE C 77 31.974 12.577 14.346 1.00 0.00 C ATOM 1160 CZ PHE C 77 32.340 13.909 14.127 1.00 0.00 C ATOM 0 H PHE C 77 25.850 12.535 15.243 1.00 0.00 H new ATOM 0 HA PHE C 77 27.537 13.692 13.312 1.00 0.00 H new ATOM 0 HB2 PHE C 77 27.863 13.708 15.819 1.00 0.00 H new ATOM 0 HB3 PHE C 77 28.260 12.002 15.753 1.00 0.00 H new ATOM 0 HD1 PHE C 77 29.330 15.394 14.685 1.00 0.00 H new ATOM 0 HD2 PHE C 77 30.372 11.233 14.855 1.00 0.00 H new ATOM 0 HE1 PHE C 77 31.670 15.954 14.079 1.00 0.00 H new ATOM 0 HE2 PHE C 77 32.710 11.792 14.252 1.00 0.00 H new ATOM 0 HZ PHE C 77 33.359 14.153 13.864 1.00 0.00 H new ATOM 1170 N LEU C 78 27.583 10.397 13.520 1.00 0.00 N ATOM 1171 CA LEU C 78 28.034 9.198 12.822 1.00 0.00 C ATOM 1172 C LEU C 78 27.508 9.186 11.386 1.00 0.00 C ATOM 1173 O LEU C 78 28.212 8.788 10.458 1.00 0.00 O ATOM 1174 CB LEU C 78 27.541 7.949 13.552 1.00 0.00 C ATOM 1175 CG LEU C 78 28.224 6.704 12.973 1.00 0.00 C ATOM 1176 CD1 LEU C 78 29.729 6.729 13.276 1.00 0.00 C ATOM 1177 CD2 LEU C 78 27.600 5.452 13.594 1.00 0.00 C ATOM 0 H LEU C 78 26.981 10.226 14.325 1.00 0.00 H new ATOM 0 HA LEU C 78 29.124 9.202 12.803 1.00 0.00 H new ATOM 0 HB2 LEU C 78 27.756 8.031 14.617 1.00 0.00 H new ATOM 0 HB3 LEU C 78 26.459 7.861 13.451 1.00 0.00 H new ATOM 0 HG LEU C 78 28.084 6.693 11.892 1.00 0.00 H new ATOM 0 HD11 LEU C 78 30.199 5.839 12.858 1.00 0.00 H new ATOM 0 HD12 LEU C 78 30.175 7.618 12.830 1.00 0.00 H new ATOM 0 HD13 LEU C 78 29.883 6.748 14.355 1.00 0.00 H new ATOM 0 HD21 LEU C 78 28.082 4.564 13.185 1.00 0.00 H new ATOM 0 HD22 LEU C 78 27.738 5.475 14.675 1.00 0.00 H new ATOM 0 HD23 LEU C 78 26.535 5.424 13.364 1.00 0.00 H new ATOM 1189 N VAL C 79 26.258 9.610 11.216 1.00 0.00 N ATOM 1190 CA VAL C 79 25.639 9.632 9.893 1.00 0.00 C ATOM 1191 C VAL C 79 26.371 10.588 8.954 1.00 0.00 C ATOM 1192 O VAL C 79 26.668 10.241 7.811 1.00 0.00 O ATOM 1193 CB VAL C 79 24.180 10.071 10.009 1.00 0.00 C ATOM 1194 CG1 VAL C 79 23.595 10.294 8.609 1.00 0.00 C ATOM 1195 CG2 VAL C 79 23.375 8.989 10.734 1.00 0.00 C ATOM 0 H VAL C 79 25.658 9.941 11.971 1.00 0.00 H new ATOM 0 HA VAL C 79 25.697 8.624 9.482 1.00 0.00 H new ATOM 0 HB VAL C 79 24.128 11.002 10.574 1.00 0.00 H new ATOM 0 HG11 VAL C 79 22.554 10.607 8.695 1.00 0.00 H new ATOM 0 HG12 VAL C 79 24.165 11.068 8.095 1.00 0.00 H new ATOM 0 HG13 VAL C 79 23.649 9.366 8.040 1.00 0.00 H new ATOM 0 HG21 VAL C 79 22.335 9.303 10.816 1.00 0.00 H new ATOM 0 HG22 VAL C 79 23.429 8.057 10.172 1.00 0.00 H new ATOM 0 HG23 VAL C 79 23.787 8.835 11.731 1.00 0.00 H new ATOM 1205 N MET C 80 26.653 11.790 9.441 1.00 0.00 N ATOM 1206 CA MET C 80 27.335 12.785 8.630 1.00 0.00 C ATOM 1207 C MET C 80 28.788 12.384 8.415 1.00 0.00 C ATOM 1208 O MET C 80 29.429 12.814 7.457 1.00 0.00 O ATOM 1209 CB MET C 80 27.254 14.163 9.310 1.00 0.00 C ATOM 1210 CG MET C 80 28.469 14.405 10.212 1.00 0.00 C ATOM 1211 SD MET C 80 29.843 15.021 9.210 1.00 0.00 S ATOM 1212 CE MET C 80 30.368 16.321 10.347 1.00 0.00 C ATOM 0 H MET C 80 26.421 12.096 10.386 1.00 0.00 H new ATOM 0 HA MET C 80 26.845 12.844 7.658 1.00 0.00 H new ATOM 0 HB2 MET C 80 27.199 14.944 8.551 1.00 0.00 H new ATOM 0 HB3 MET C 80 26.340 14.227 9.901 1.00 0.00 H new ATOM 0 HG2 MET C 80 28.220 15.125 10.991 1.00 0.00 H new ATOM 0 HG3 MET C 80 28.755 13.480 10.713 1.00 0.00 H new ATOM 0 HE1 MET C 80 31.225 16.848 9.927 1.00 0.00 H new ATOM 0 HE2 MET C 80 29.549 17.024 10.500 1.00 0.00 H new ATOM 0 HE3 MET C 80 30.648 15.877 11.302 1.00 0.00 H new ATOM 1222 N MET C 81 29.305 11.568 9.327 1.00 0.00 N ATOM 1223 CA MET C 81 30.691 11.124 9.232 1.00 0.00 C ATOM 1224 C MET C 81 30.885 10.231 8.015 1.00 0.00 C ATOM 1225 O MET C 81 31.768 10.465 7.186 1.00 0.00 O ATOM 1226 CB MET C 81 31.074 10.357 10.499 1.00 0.00 C ATOM 1227 CG MET C 81 32.579 10.071 10.507 1.00 0.00 C ATOM 1228 SD MET C 81 33.483 11.623 10.731 1.00 0.00 S ATOM 1229 CE MET C 81 35.145 10.908 10.792 1.00 0.00 C ATOM 0 H MET C 81 28.793 11.204 10.131 1.00 0.00 H new ATOM 0 HA MET C 81 31.331 12.000 9.127 1.00 0.00 H new ATOM 0 HB2 MET C 81 30.802 10.937 11.381 1.00 0.00 H new ATOM 0 HB3 MET C 81 30.518 9.421 10.549 1.00 0.00 H new ATOM 0 HG2 MET C 81 32.824 9.375 11.309 1.00 0.00 H new ATOM 0 HG3 MET C 81 32.875 9.596 9.572 1.00 0.00 H new ATOM 0 HE1 MET C 81 35.856 11.667 11.120 1.00 0.00 H new ATOM 0 HE2 MET C 81 35.156 10.073 11.492 1.00 0.00 H new ATOM 0 HE3 MET C 81 35.425 10.554 9.800 1.00 0.00 H new ATOM 1239 N VAL C 82 30.047 9.207 7.908 1.00 0.00 N ATOM 1240 CA VAL C 82 30.126 8.283 6.784 1.00 0.00 C ATOM 1241 C VAL C 82 29.657 8.958 5.500 1.00 0.00 C ATOM 1242 O VAL C 82 30.261 8.780 4.443 1.00 0.00 O ATOM 1243 CB VAL C 82 29.279 7.038 7.055 1.00 0.00 C ATOM 1244 CG1 VAL C 82 29.219 6.173 5.791 1.00 0.00 C ATOM 1245 CG2 VAL C 82 29.912 6.228 8.189 1.00 0.00 C ATOM 0 H VAL C 82 29.310 8.996 8.581 1.00 0.00 H new ATOM 0 HA VAL C 82 31.167 7.984 6.663 1.00 0.00 H new ATOM 0 HB VAL C 82 28.271 7.342 7.338 1.00 0.00 H new ATOM 0 HG11 VAL C 82 28.615 5.286 5.985 1.00 0.00 H new ATOM 0 HG12 VAL C 82 28.771 6.746 4.979 1.00 0.00 H new ATOM 0 HG13 VAL C 82 30.227 5.871 5.509 1.00 0.00 H new ATOM 0 HG21 VAL C 82 29.309 5.341 8.383 1.00 0.00 H new ATOM 0 HG22 VAL C 82 30.920 5.927 7.902 1.00 0.00 H new ATOM 0 HG23 VAL C 82 29.959 6.839 9.090 1.00 0.00 H new ATOM 1255 N ARG C 83 28.571 9.731 5.591 1.00 0.00 N ATOM 1256 CA ARG C 83 28.042 10.409 4.425 1.00 0.00 C ATOM 1257 C ARG C 83 29.065 11.377 3.842 1.00 0.00 C ATOM 1258 O ARG C 83 29.285 11.404 2.633 1.00 0.00 O ATOM 1259 CB ARG C 83 26.782 11.170 4.819 1.00 0.00 C ATOM 1260 CG ARG C 83 26.229 11.919 3.609 1.00 0.00 C ATOM 1261 CD ARG C 83 24.880 12.518 3.980 1.00 0.00 C ATOM 1262 NE ARG C 83 23.831 11.507 3.919 1.00 0.00 N ATOM 1263 CZ ARG C 83 23.237 11.195 2.768 1.00 0.00 C ATOM 1264 NH1 ARG C 83 23.577 11.811 1.666 1.00 0.00 N ATOM 1265 NH2 ARG C 83 22.305 10.281 2.740 1.00 0.00 N1+ ATOM 0 H ARG C 83 28.052 9.896 6.454 1.00 0.00 H new ATOM 0 HA ARG C 83 27.808 9.664 3.664 1.00 0.00 H new ATOM 0 HB2 ARG C 83 26.033 10.477 5.203 1.00 0.00 H new ATOM 0 HB3 ARG C 83 27.007 11.873 5.621 1.00 0.00 H new ATOM 0 HG2 ARG C 83 26.920 12.705 3.303 1.00 0.00 H new ATOM 0 HG3 ARG C 83 26.121 11.241 2.762 1.00 0.00 H new ATOM 0 HD2 ARG C 83 24.928 12.939 4.984 1.00 0.00 H new ATOM 0 HD3 ARG C 83 24.642 13.337 3.302 1.00 0.00 H new ATOM 0 HE ARG C 83 23.546 11.029 4.774 1.00 0.00 H new ATOM 0 HH11 ARG C 83 24.298 12.532 1.686 1.00 0.00 H new ATOM 0 HH12 ARG C 83 23.121 11.571 0.786 1.00 0.00 H new ATOM 0 HH21 ARG C 83 22.031 9.805 3.600 1.00 0.00 H new ATOM 0 HH22 ARG C 83 21.851 10.043 1.858 1.00 0.00 H new ATOM 1279 N CYS C 84 29.685 12.178 4.704 1.00 0.00 N ATOM 1280 CA CYS C 84 30.675 13.142 4.241 1.00 0.00 C ATOM 1281 C CYS C 84 31.886 12.420 3.660 1.00 0.00 C ATOM 1282 O CYS C 84 32.528 12.915 2.735 1.00 0.00 O ATOM 1283 CB CYS C 84 31.116 14.042 5.401 1.00 0.00 C ATOM 1284 SG CYS C 84 32.082 13.070 6.587 1.00 0.00 S ATOM 0 H CYS C 84 29.522 12.179 5.711 1.00 0.00 H new ATOM 0 HA CYS C 84 30.223 13.757 3.463 1.00 0.00 H new ATOM 0 HB2 CYS C 84 31.713 14.873 5.024 1.00 0.00 H new ATOM 0 HB3 CYS C 84 30.244 14.473 5.893 1.00 0.00 H new ATOM 0 HG CYS C 84 31.742 11.818 6.501 1.00 0.00 H new ATOM 1290 N MET C 85 32.190 11.246 4.204 1.00 0.00 N ATOM 1291 CA MET C 85 33.323 10.466 3.725 1.00 0.00 C ATOM 1292 C MET C 85 33.068 9.972 2.304 1.00 0.00 C ATOM 1293 O MET C 85 33.968 9.971 1.463 1.00 0.00 O ATOM 1294 CB MET C 85 33.564 9.271 4.648 1.00 0.00 C ATOM 1295 CG MET C 85 34.917 8.637 4.320 1.00 0.00 C ATOM 1296 SD MET C 85 36.244 9.742 4.862 1.00 0.00 S ATOM 1297 CE MET C 85 36.961 10.058 3.231 1.00 0.00 C ATOM 0 H MET C 85 31.672 10.817 4.971 1.00 0.00 H new ATOM 0 HA MET C 85 34.206 11.105 3.724 1.00 0.00 H new ATOM 0 HB2 MET C 85 33.544 9.593 5.689 1.00 0.00 H new ATOM 0 HB3 MET C 85 32.767 8.537 4.526 1.00 0.00 H new ATOM 0 HG2 MET C 85 35.008 7.670 4.816 1.00 0.00 H new ATOM 0 HG3 MET C 85 34.995 8.454 3.248 1.00 0.00 H new ATOM 0 HE1 MET C 85 37.935 10.534 3.348 1.00 0.00 H new ATOM 0 HE2 MET C 85 37.079 9.115 2.697 1.00 0.00 H new ATOM 0 HE3 MET C 85 36.301 10.716 2.665 1.00 0.00 H new ATOM 1307 N LYS C 86 31.833 9.547 2.045 1.00 0.00 N ATOM 1308 CA LYS C 86 31.467 9.045 0.724 1.00 0.00 C ATOM 1309 C LYS C 86 30.923 10.168 -0.149 1.00 0.00 C ATOM 1310 O LYS C 86 30.565 9.947 -1.305 1.00 0.00 O ATOM 1311 CB LYS C 86 30.410 7.946 0.852 1.00 0.00 C ATOM 1312 CG LYS C 86 30.955 6.815 1.726 1.00 0.00 C ATOM 1313 CD LYS C 86 29.949 5.663 1.764 1.00 0.00 C ATOM 1314 CE LYS C 86 30.263 4.674 0.641 1.00 0.00 C ATOM 1315 NZ LYS C 86 31.594 4.048 0.893 1.00 0.00 N1+ ATOM 0 H LYS C 86 31.075 9.540 2.727 1.00 0.00 H new ATOM 0 HA LYS C 86 32.363 8.637 0.257 1.00 0.00 H new ATOM 0 HB2 LYS C 86 29.499 8.352 1.291 1.00 0.00 H new ATOM 0 HB3 LYS C 86 30.146 7.563 -0.134 1.00 0.00 H new ATOM 0 HG2 LYS C 86 31.909 6.465 1.332 1.00 0.00 H new ATOM 0 HG3 LYS C 86 31.142 7.181 2.736 1.00 0.00 H new ATOM 0 HD2 LYS C 86 29.993 5.159 2.730 1.00 0.00 H new ATOM 0 HD3 LYS C 86 28.935 6.048 1.651 1.00 0.00 H new ATOM 0 HE2 LYS C 86 29.491 3.906 0.591 1.00 0.00 H new ATOM 0 HE3 LYS C 86 30.266 5.187 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 31.595 3.075 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 32.334 4.600 0.414 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 31.782 4.032 1.916 1.00 0.00 H new ATOM 1329 N ASP C 87 30.860 11.371 0.418 1.00 0.00 N ATOM 1330 CA ASP C 87 30.357 12.534 -0.309 1.00 0.00 C ATOM 1331 C ASP C 87 28.873 12.363 -0.618 1.00 0.00 C ATOM 1332 O ASP C 87 28.315 11.282 -0.431 1.00 0.00 O ATOM 1333 CB ASP C 87 31.138 12.716 -1.613 1.00 0.00 C ATOM 1334 CG ASP C 87 32.626 12.500 -1.357 1.00 0.00 C ATOM 1335 OD1 ASP C 87 33.173 13.206 -0.526 1.00 0.00 O ATOM 1336 OD2 ASP C 87 33.197 11.629 -1.995 1.00 0.00 O1- ATOM 0 H ASP C 87 31.150 11.565 1.376 1.00 0.00 H new ATOM 0 HA ASP C 87 30.490 13.418 0.315 1.00 0.00 H new ATOM 0 HB2 ASP C 87 30.782 12.009 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP C 87 30.970 13.716 -2.012 1.00 0.00 H new ATOM 1341 N ASP C 88 28.243 13.436 -1.093 1.00 0.00 N ATOM 1342 CA ASP C 88 26.824 13.399 -1.427 1.00 0.00 C ATOM 1343 C ASP C 88 26.604 13.808 -2.879 1.00 0.00 C ATOM 1344 O ASP C 88 26.086 14.889 -3.161 1.00 0.00 O ATOM 1345 CB ASP C 88 26.047 14.344 -0.507 1.00 0.00 C ATOM 1346 CG ASP C 88 26.515 15.781 -0.719 1.00 0.00 C ATOM 1347 OD1 ASP C 88 27.401 15.982 -1.532 1.00 0.00 O ATOM 1348 OD2 ASP C 88 25.976 16.660 -0.066 1.00 0.00 O1- ATOM 0 H ASP C 88 28.692 14.337 -1.254 1.00 0.00 H new ATOM 0 HA ASP C 88 26.464 12.379 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP C 88 24.979 14.267 -0.711 1.00 0.00 H new ATOM 0 HB3 ASP C 88 26.194 14.055 0.533 1.00 0.00 H new ATOM 1353 N SER C 89 26.996 12.932 -3.794 1.00 0.00 N ATOM 1354 CA SER C 89 26.835 13.205 -5.217 1.00 0.00 C ATOM 1355 C SER C 89 26.465 11.930 -5.969 1.00 0.00 C ATOM 1356 O SER C 89 26.091 10.968 -5.318 1.00 0.00 O ATOM 1357 CB SER C 89 28.129 13.780 -5.792 1.00 0.00 C ATOM 1358 OG SER C 89 28.907 12.727 -6.344 1.00 0.00 O ATOM 1359 OXT SER C 89 26.560 11.935 -7.186 1.00 0.00 O ATOM 0 H SER C 89 27.425 12.032 -3.579 1.00 0.00 H new ATOM 0 HA SER C 89 26.032 13.932 -5.337 1.00 0.00 H new ATOM 0 HB2 SER C 89 27.902 14.520 -6.559 1.00 0.00 H new ATOM 0 HB3 SER C 89 28.691 14.292 -5.011 1.00 0.00 H new ATOM 0 HG SER C 89 29.737 13.093 -6.715 1.00 0.00 H new TER 1365 SER C 89 ATOM 1366 N ARG I 144 41.951 32.639 2.498 1.00 0.00 N ATOM 1367 CA ARG I 144 43.025 32.137 1.595 1.00 0.00 C ATOM 1368 C ARG I 144 43.378 30.701 1.965 1.00 0.00 C ATOM 1369 O ARG I 144 43.346 30.325 3.137 1.00 0.00 O ATOM 1370 CB ARG I 144 44.257 33.035 1.731 1.00 0.00 C ATOM 1371 CG ARG I 144 44.696 33.086 3.196 1.00 0.00 C ATOM 1372 CD ARG I 144 45.945 33.956 3.328 1.00 0.00 C ATOM 1373 NE ARG I 144 46.278 34.150 4.734 1.00 0.00 N ATOM 1374 CZ ARG I 144 47.334 34.871 5.097 1.00 0.00 C ATOM 1375 NH1 ARG I 144 48.098 35.411 4.189 1.00 0.00 N ATOM 1376 NH2 ARG I 144 47.603 35.041 6.363 1.00 0.00 N1+ ATOM 0 HA ARG I 144 42.677 32.157 0.562 1.00 0.00 H new ATOM 0 HB2 ARG I 144 45.068 32.653 1.111 1.00 0.00 H new ATOM 0 HB3 ARG I 144 44.029 34.039 1.374 1.00 0.00 H new ATOM 0 HG2 ARG I 144 43.893 33.489 3.813 1.00 0.00 H new ATOM 0 HG3 ARG I 144 44.902 32.079 3.559 1.00 0.00 H new ATOM 0 HD2 ARG I 144 46.781 33.485 2.810 1.00 0.00 H new ATOM 0 HD3 ARG I 144 45.777 34.921 2.850 1.00 0.00 H new ATOM 0 HE ARG I 144 45.691 33.725 5.451 1.00 0.00 H new ATOM 0 HH11 ARG I 144 47.885 35.280 3.200 1.00 0.00 H new ATOM 0 HH12 ARG I 144 48.908 35.964 4.468 1.00 0.00 H new ATOM 0 HH21 ARG I 144 47.003 34.621 7.073 1.00 0.00 H new ATOM 0 HH22 ARG I 144 48.413 35.594 6.642 1.00 0.00 H new ATOM 1392 N ARG I 145 43.716 29.904 0.958 1.00 0.00 N ATOM 1393 CA ARG I 145 44.077 28.511 1.187 1.00 0.00 C ATOM 1394 C ARG I 145 42.982 27.802 1.980 1.00 0.00 C ATOM 1395 O ARG I 145 43.261 27.076 2.935 1.00 0.00 O ATOM 1396 CB ARG I 145 45.399 28.438 1.952 1.00 0.00 C ATOM 1397 CG ARG I 145 46.180 27.202 1.505 1.00 0.00 C ATOM 1398 CD ARG I 145 47.467 27.088 2.324 1.00 0.00 C ATOM 1399 NE ARG I 145 48.081 28.402 2.478 1.00 0.00 N ATOM 1400 CZ ARG I 145 48.777 28.959 1.493 1.00 0.00 C ATOM 1401 NH1 ARG I 145 48.917 28.331 0.358 1.00 0.00 N ATOM 1402 NH2 ARG I 145 49.314 30.137 1.659 1.00 0.00 N1+ ATOM 0 H ARG I 145 43.748 30.196 -0.019 1.00 0.00 H new ATOM 0 HA ARG I 145 44.189 28.015 0.223 1.00 0.00 H new ATOM 0 HB2 ARG I 145 45.987 29.338 1.770 1.00 0.00 H new ATOM 0 HB3 ARG I 145 45.209 28.393 3.024 1.00 0.00 H new ATOM 0 HG2 ARG I 145 45.572 26.307 1.637 1.00 0.00 H new ATOM 0 HG3 ARG I 145 46.417 27.273 0.443 1.00 0.00 H new ATOM 0 HD2 ARG I 145 47.247 26.664 3.304 1.00 0.00 H new ATOM 0 HD3 ARG I 145 48.162 26.409 1.831 1.00 0.00 H new ATOM 0 HE ARG I 145 47.974 28.903 3.360 1.00 0.00 H new ATOM 0 HH11 ARG I 145 48.492 27.413 0.227 1.00 0.00 H new ATOM 0 HH12 ARG I 145 49.451 28.758 -0.399 1.00 0.00 H new ATOM 0 HH21 ARG I 145 49.199 30.630 2.545 1.00 0.00 H new ATOM 0 HH22 ARG I 145 49.848 30.565 0.903 1.00 0.00 H new ATOM 1416 N VAL I 146 41.733 28.021 1.580 1.00 0.00 N ATOM 1417 CA VAL I 146 40.605 27.402 2.266 1.00 0.00 C ATOM 1418 C VAL I 146 40.920 25.950 2.614 1.00 0.00 C ATOM 1419 O VAL I 146 41.632 25.266 1.880 1.00 0.00 O ATOM 1420 CB VAL I 146 39.363 27.452 1.374 1.00 0.00 C ATOM 1421 CG1 VAL I 146 39.015 28.908 1.062 1.00 0.00 C ATOM 1422 CG2 VAL I 146 39.644 26.705 0.067 1.00 0.00 C ATOM 0 H VAL I 146 41.478 28.617 0.792 1.00 0.00 H new ATOM 0 HA VAL I 146 40.417 27.954 3.187 1.00 0.00 H new ATOM 0 HB VAL I 146 38.527 26.982 1.891 1.00 0.00 H new ATOM 0 HG11 VAL I 146 38.130 28.942 0.426 1.00 0.00 H new ATOM 0 HG12 VAL I 146 38.815 29.442 1.991 1.00 0.00 H new ATOM 0 HG13 VAL I 146 39.851 29.379 0.545 1.00 0.00 H new ATOM 0 HG21 VAL I 146 38.760 26.740 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL I 146 40.481 27.176 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL I 146 39.892 25.667 0.287 1.00 0.00 H new ATOM 1432 N ARG I 147 40.382 25.485 3.738 1.00 0.00 N ATOM 1433 CA ARG I 147 40.612 24.113 4.170 1.00 0.00 C ATOM 1434 C ARG I 147 39.315 23.494 4.670 1.00 0.00 C ATOM 1435 O ARG I 147 39.017 23.539 5.865 1.00 0.00 O ATOM 1436 CB ARG I 147 41.656 24.086 5.290 1.00 0.00 C ATOM 1437 CG ARG I 147 42.160 22.653 5.486 1.00 0.00 C ATOM 1438 CD ARG I 147 43.197 22.625 6.609 1.00 0.00 C ATOM 1439 NE ARG I 147 44.306 23.522 6.284 1.00 0.00 N ATOM 1440 CZ ARG I 147 44.396 24.748 6.808 1.00 0.00 C ATOM 1441 NH1 ARG I 147 43.471 25.195 7.615 1.00 0.00 N ATOM 1442 NH2 ARG I 147 45.405 25.514 6.499 1.00 0.00 N1+ ATOM 0 H ARG I 147 39.789 26.034 4.360 1.00 0.00 H new ATOM 0 HA ARG I 147 40.978 23.537 3.320 1.00 0.00 H new ATOM 0 HB2 ARG I 147 42.488 24.744 5.041 1.00 0.00 H new ATOM 0 HB3 ARG I 147 41.220 24.459 6.217 1.00 0.00 H new ATOM 0 HG2 ARG I 147 41.327 21.994 5.730 1.00 0.00 H new ATOM 0 HG3 ARG I 147 42.601 22.282 4.561 1.00 0.00 H new ATOM 0 HD2 ARG I 147 42.736 22.928 7.549 1.00 0.00 H new ATOM 0 HD3 ARG I 147 43.568 21.610 6.748 1.00 0.00 H new ATOM 0 HE ARG I 147 45.030 23.203 5.640 1.00 0.00 H new ATOM 0 HH11 ARG I 147 42.672 24.607 7.850 1.00 0.00 H new ATOM 0 HH12 ARG I 147 43.548 26.132 8.010 1.00 0.00 H new ATOM 0 HH21 ARG I 147 46.124 25.177 5.858 1.00 0.00 H new ATOM 0 HH22 ARG I 147 45.476 26.450 6.898 1.00 0.00 H new ATOM 1456 N ILE I 148 38.543 22.917 3.752 1.00 0.00 N ATOM 1457 CA ILE I 148 37.274 22.295 4.119 1.00 0.00 C ATOM 1458 C ILE I 148 37.143 20.928 3.452 1.00 0.00 C ATOM 1459 O ILE I 148 36.278 20.127 3.808 1.00 0.00 O ATOM 1460 CB ILE I 148 36.108 23.195 3.687 1.00 0.00 C ATOM 1461 CG1 ILE I 148 35.956 24.358 4.677 1.00 0.00 C ATOM 1462 CG2 ILE I 148 34.808 22.381 3.664 1.00 0.00 C ATOM 1463 CD1 ILE I 148 35.103 23.934 5.878 1.00 0.00 C ATOM 0 H ILE I 148 38.771 22.867 2.759 1.00 0.00 H new ATOM 0 HA ILE I 148 37.248 22.165 5.201 1.00 0.00 H new ATOM 0 HB ILE I 148 36.312 23.588 2.691 1.00 0.00 H new ATOM 0 HG12 ILE I 148 36.939 24.683 5.018 1.00 0.00 H new ATOM 0 HG13 ILE I 148 35.494 25.210 4.178 1.00 0.00 H new ATOM 0 HG21 ILE I 148 33.982 23.023 3.357 1.00 0.00 H new ATOM 0 HG22 ILE I 148 34.908 21.556 2.959 1.00 0.00 H new ATOM 0 HG23 ILE I 148 34.609 21.985 4.660 1.00 0.00 H new ATOM 0 HD11 ILE I 148 35.006 24.771 6.569 1.00 0.00 H new ATOM 0 HD12 ILE I 148 34.114 23.632 5.533 1.00 0.00 H new ATOM 0 HD13 ILE I 148 35.581 23.097 6.387 1.00 0.00 H new ATOM 1475 N SER I 149 38.007 20.663 2.483 1.00 0.00 N ATOM 1476 CA SER I 149 37.967 19.390 1.776 1.00 0.00 C ATOM 1477 C SER I 149 37.844 18.238 2.763 1.00 0.00 C ATOM 1478 O SER I 149 38.362 18.302 3.876 1.00 0.00 O ATOM 1479 CB SER I 149 39.239 19.222 0.944 1.00 0.00 C ATOM 1480 OG SER I 149 39.252 20.189 -0.097 1.00 0.00 O ATOM 0 H SER I 149 38.737 21.304 2.170 1.00 0.00 H new ATOM 0 HA SER I 149 37.098 19.382 1.118 1.00 0.00 H new ATOM 0 HB2 SER I 149 40.119 19.340 1.576 1.00 0.00 H new ATOM 0 HB3 SER I 149 39.282 18.217 0.523 1.00 0.00 H new ATOM 0 HG SER I 149 40.067 20.084 -0.631 1.00 0.00 H new ATOM 1486 N ALA I 150 37.139 17.187 2.353 1.00 0.00 N ATOM 1487 CA ALA I 150 36.940 16.036 3.222 1.00 0.00 C ATOM 1488 C ALA I 150 38.281 15.423 3.612 1.00 0.00 C ATOM 1489 O ALA I 150 38.496 15.069 4.771 1.00 0.00 O ATOM 1490 CB ALA I 150 36.090 14.985 2.502 1.00 0.00 C ATOM 0 H ALA I 150 36.701 17.110 1.435 1.00 0.00 H new ATOM 0 HA ALA I 150 36.427 16.367 4.125 1.00 0.00 H new ATOM 0 HB1 ALA I 150 35.944 14.125 3.156 1.00 0.00 H new ATOM 0 HB2 ALA I 150 35.122 15.414 2.245 1.00 0.00 H new ATOM 0 HB3 ALA I 150 36.599 14.666 1.592 1.00 0.00 H new ATOM 1496 N ASP I 151 39.183 15.305 2.643 1.00 0.00 N ATOM 1497 CA ASP I 151 40.500 14.740 2.911 1.00 0.00 C ATOM 1498 C ASP I 151 41.268 15.617 3.895 1.00 0.00 C ATOM 1499 O ASP I 151 41.905 15.118 4.823 1.00 0.00 O ATOM 1500 CB ASP I 151 41.286 14.625 1.606 1.00 0.00 C ATOM 1501 CG ASP I 151 40.691 13.525 0.733 1.00 0.00 C ATOM 1502 OD1 ASP I 151 39.932 12.727 1.256 1.00 0.00 O ATOM 1503 OD2 ASP I 151 40.998 13.503 -0.447 1.00 0.00 O1- ATOM 0 H ASP I 151 39.029 15.590 1.676 1.00 0.00 H new ATOM 0 HA ASP I 151 40.372 13.750 3.349 1.00 0.00 H new ATOM 0 HB2 ASP I 151 41.263 15.576 1.073 1.00 0.00 H new ATOM 0 HB3 ASP I 151 42.332 14.405 1.820 1.00 0.00 H new ATOM 1508 N ALA I 152 41.201 16.928 3.686 1.00 0.00 N ATOM 1509 CA ALA I 152 41.893 17.868 4.561 1.00 0.00 C ATOM 1510 C ALA I 152 41.322 17.816 5.972 1.00 0.00 C ATOM 1511 O ALA I 152 42.062 17.878 6.954 1.00 0.00 O ATOM 1512 CB ALA I 152 41.766 19.289 4.010 1.00 0.00 C ATOM 0 H ALA I 152 40.679 17.361 2.924 1.00 0.00 H new ATOM 0 HA ALA I 152 42.945 17.585 4.599 1.00 0.00 H new ATOM 0 HB1 ALA I 152 42.286 19.983 4.670 1.00 0.00 H new ATOM 0 HB2 ALA I 152 42.209 19.334 3.015 1.00 0.00 H new ATOM 0 HB3 ALA I 152 40.713 19.564 3.951 1.00 0.00 H new ATOM 1518 N MET I 153 39.999 17.714 6.066 1.00 0.00 N ATOM 1519 CA MET I 153 39.337 17.672 7.362 1.00 0.00 C ATOM 1520 C MET I 153 39.830 16.478 8.169 1.00 0.00 C ATOM 1521 O MET I 153 40.134 16.598 9.355 1.00 0.00 O ATOM 1522 CB MET I 153 37.823 17.561 7.167 1.00 0.00 C ATOM 1523 CG MET I 153 37.102 18.231 8.338 1.00 0.00 C ATOM 1524 SD MET I 153 37.662 17.506 9.898 1.00 0.00 S ATOM 1525 CE MET I 153 37.031 18.805 10.988 1.00 0.00 C ATOM 0 H MET I 153 39.370 17.659 5.265 1.00 0.00 H new ATOM 0 HA MET I 153 39.571 18.589 7.903 1.00 0.00 H new ATOM 0 HB2 MET I 153 37.532 18.034 6.229 1.00 0.00 H new ATOM 0 HB3 MET I 153 37.531 16.513 7.099 1.00 0.00 H new ATOM 0 HG2 MET I 153 37.299 19.303 8.333 1.00 0.00 H new ATOM 0 HG3 MET I 153 36.024 18.105 8.234 1.00 0.00 H new ATOM 0 HE1 MET I 153 37.269 18.559 12.023 1.00 0.00 H new ATOM 0 HE2 MET I 153 37.493 19.757 10.725 1.00 0.00 H new ATOM 0 HE3 MET I 153 35.950 18.883 10.873 1.00 0.00 H new ATOM 1535 N MET I 154 39.914 15.325 7.519 1.00 0.00 N ATOM 1536 CA MET I 154 40.375 14.120 8.191 1.00 0.00 C ATOM 1537 C MET I 154 41.815 14.297 8.662 1.00 0.00 C ATOM 1538 O MET I 154 42.180 13.851 9.751 1.00 0.00 O ATOM 1539 CB MET I 154 40.302 12.932 7.230 1.00 0.00 C ATOM 1540 CG MET I 154 38.842 12.607 6.894 1.00 0.00 C ATOM 1541 SD MET I 154 37.978 12.012 8.371 1.00 0.00 S ATOM 1542 CE MET I 154 36.872 13.430 8.583 1.00 0.00 C ATOM 0 H MET I 154 39.671 15.200 6.536 1.00 0.00 H new ATOM 0 HA MET I 154 39.735 13.935 9.054 1.00 0.00 H new ATOM 0 HB2 MET I 154 40.850 13.161 6.316 1.00 0.00 H new ATOM 0 HB3 MET I 154 40.781 12.062 7.680 1.00 0.00 H new ATOM 0 HG2 MET I 154 38.344 13.495 6.506 1.00 0.00 H new ATOM 0 HG3 MET I 154 38.801 11.850 6.110 1.00 0.00 H new ATOM 0 HE1 MET I 154 36.250 13.278 9.465 1.00 0.00 H new ATOM 0 HE2 MET I 154 37.463 14.337 8.708 1.00 0.00 H new ATOM 0 HE3 MET I 154 36.236 13.530 7.703 1.00 0.00 H new ATOM 1552 N GLN I 155 42.638 14.938 7.834 1.00 0.00 N ATOM 1553 CA GLN I 155 44.036 15.143 8.187 1.00 0.00 C ATOM 1554 C GLN I 155 44.151 15.982 9.458 1.00 0.00 C ATOM 1555 O GLN I 155 44.814 15.586 10.418 1.00 0.00 O ATOM 1556 CB GLN I 155 44.748 15.862 7.036 1.00 0.00 C ATOM 1557 CG GLN I 155 46.256 15.842 7.274 1.00 0.00 C ATOM 1558 CD GLN I 155 46.983 16.539 6.127 1.00 0.00 C ATOM 1559 OE1 GLN I 155 46.789 17.734 5.902 1.00 0.00 O ATOM 1560 NE2 GLN I 155 47.812 15.857 5.382 1.00 0.00 N ATOM 0 H GLN I 155 42.364 15.318 6.928 1.00 0.00 H new ATOM 0 HA GLN I 155 44.500 14.173 8.365 1.00 0.00 H new ATOM 0 HB2 GLN I 155 44.513 15.376 6.089 1.00 0.00 H new ATOM 0 HB3 GLN I 155 44.395 16.891 6.963 1.00 0.00 H new ATOM 0 HG2 GLN I 155 46.489 16.338 8.216 1.00 0.00 H new ATOM 0 HG3 GLN I 155 46.604 14.813 7.362 1.00 0.00 H new ATOM 0 HE21 GLN I 155 47.971 14.867 5.570 1.00 0.00 H new ATOM 0 HE22 GLN I 155 48.300 16.314 4.612 1.00 0.00 H new ATOM 1569 N ALA I 156 43.474 17.127 9.462 1.00 0.00 N ATOM 1570 CA ALA I 156 43.489 18.018 10.619 1.00 0.00 C ATOM 1571 C ALA I 156 42.897 17.319 11.828 1.00 0.00 C ATOM 1572 O ALA I 156 43.325 17.542 12.962 1.00 0.00 O ATOM 1573 CB ALA I 156 42.699 19.294 10.322 1.00 0.00 C ATOM 0 H ALA I 156 42.910 17.459 8.680 1.00 0.00 H new ATOM 0 HA ALA I 156 44.524 18.285 10.833 1.00 0.00 H new ATOM 0 HB1 ALA I 156 42.720 19.947 11.195 1.00 0.00 H new ATOM 0 HB2 ALA I 156 43.147 19.810 9.472 1.00 0.00 H new ATOM 0 HB3 ALA I 156 41.666 19.036 10.087 1.00 0.00 H new ATOM 1579 N LEU I 157 41.896 16.487 11.582 1.00 0.00 N ATOM 1580 CA LEU I 157 41.234 15.779 12.660 1.00 0.00 C ATOM 1581 C LEU I 157 42.234 14.930 13.428 1.00 0.00 C ATOM 1582 O LEU I 157 42.210 14.921 14.654 1.00 0.00 O ATOM 1583 CB LEU I 157 40.136 14.868 12.097 1.00 0.00 C ATOM 1584 CG LEU I 157 39.375 14.184 13.243 1.00 0.00 C ATOM 1585 CD1 LEU I 157 38.653 15.237 14.093 1.00 0.00 C ATOM 1586 CD2 LEU I 157 38.351 13.209 12.662 1.00 0.00 C ATOM 0 H LEU I 157 41.529 16.288 10.651 1.00 0.00 H new ATOM 0 HA LEU I 157 40.792 16.515 13.331 1.00 0.00 H new ATOM 0 HB2 LEU I 157 39.445 15.452 11.489 1.00 0.00 H new ATOM 0 HB3 LEU I 157 40.577 14.115 11.444 1.00 0.00 H new ATOM 0 HG LEU I 157 40.083 13.642 13.870 1.00 0.00 H new ATOM 0 HD11 LEU I 157 38.116 14.744 14.903 1.00 0.00 H new ATOM 0 HD12 LEU I 157 39.383 15.931 14.510 1.00 0.00 H new ATOM 0 HD13 LEU I 157 37.946 15.785 13.470 1.00 0.00 H new ATOM 0 HD21 LEU I 157 37.810 12.723 13.474 1.00 0.00 H new ATOM 0 HD22 LEU I 157 37.647 13.753 12.032 1.00 0.00 H new ATOM 0 HD23 LEU I 157 38.864 12.455 12.065 1.00 0.00 H new ATOM 1598 N LEU I 158 43.107 14.226 12.700 1.00 0.00 N ATOM 1599 CA LEU I 158 44.112 13.364 13.331 1.00 0.00 C ATOM 1600 C LEU I 158 44.764 12.455 12.277 1.00 0.00 C ATOM 1601 O LEU I 158 45.811 11.853 12.509 1.00 0.00 O ATOM 1602 CB LEU I 158 43.458 12.496 14.427 1.00 0.00 C ATOM 1603 CG LEU I 158 44.389 11.340 14.813 1.00 0.00 C ATOM 1604 CD1 LEU I 158 44.173 10.990 16.287 1.00 0.00 C ATOM 1605 CD2 LEU I 158 44.125 10.090 13.951 1.00 0.00 C ATOM 0 H LEU I 158 43.138 14.235 11.681 1.00 0.00 H new ATOM 0 HA LEU I 158 44.876 13.996 13.784 1.00 0.00 H new ATOM 0 HB2 LEU I 158 43.242 13.106 15.304 1.00 0.00 H new ATOM 0 HB3 LEU I 158 42.506 12.102 14.070 1.00 0.00 H new ATOM 0 HG LEU I 158 45.417 11.660 14.643 1.00 0.00 H new ATOM 0 HD11 LEU I 158 44.833 10.169 16.566 1.00 0.00 H new ATOM 0 HD12 LEU I 158 44.396 11.860 16.904 1.00 0.00 H new ATOM 0 HD13 LEU I 158 43.136 10.691 16.442 1.00 0.00 H new ATOM 0 HD21 LEU I 158 44.802 9.291 14.252 1.00 0.00 H new ATOM 0 HD22 LEU I 158 43.094 9.763 14.090 1.00 0.00 H new ATOM 0 HD23 LEU I 158 44.291 10.330 12.901 1.00 0.00 H new ATOM 1617 N GLY I 159 44.139 12.354 11.107 1.00 0.00 N ATOM 1618 CA GLY I 159 44.670 11.499 10.054 1.00 0.00 C ATOM 1619 C GLY I 159 46.153 11.771 9.828 1.00 0.00 C ATOM 1620 O GLY I 159 46.935 10.844 9.616 1.00 0.00 O ATOM 0 H GLY I 159 43.278 12.846 10.868 1.00 0.00 H new ATOM 0 HA2 GLY I 159 44.525 10.452 10.322 1.00 0.00 H new ATOM 0 HA3 GLY I 159 44.120 11.670 9.129 1.00 0.00 H new ATOM 1624 N ALA I 160 46.540 13.039 9.884 1.00 0.00 N ATOM 1625 CA ALA I 160 47.938 13.406 9.689 1.00 0.00 C ATOM 1626 C ALA I 160 48.480 12.792 8.402 1.00 0.00 C ATOM 1627 O ALA I 160 48.358 13.375 7.327 1.00 0.00 O ATOM 1628 CB ALA I 160 48.775 12.923 10.877 1.00 0.00 C ATOM 0 H ALA I 160 45.913 13.824 10.061 1.00 0.00 H new ATOM 0 HA ALA I 160 48.001 14.492 9.615 1.00 0.00 H new ATOM 0 HB1 ALA I 160 49.818 13.201 10.724 1.00 0.00 H new ATOM 0 HB2 ALA I 160 48.407 13.385 11.793 1.00 0.00 H new ATOM 0 HB3 ALA I 160 48.697 11.839 10.960 1.00 0.00 H new ATOM 1634 N ARG I 161 49.079 11.611 8.519 1.00 0.00 N ATOM 1635 CA ARG I 161 49.631 10.928 7.354 1.00 0.00 C ATOM 1636 C ARG I 161 49.044 9.529 7.225 1.00 0.00 C ATOM 1637 O ARG I 161 48.933 8.797 8.210 1.00 0.00 O ATOM 1638 CB ARG I 161 51.153 10.835 7.471 1.00 0.00 C ATOM 1639 CG ARG I 161 51.766 12.236 7.389 1.00 0.00 C ATOM 1640 CD ARG I 161 53.284 12.115 7.244 1.00 0.00 C ATOM 1641 NE ARG I 161 53.839 11.368 8.366 1.00 0.00 N ATOM 1642 CZ ARG I 161 55.000 10.730 8.258 1.00 0.00 C ATOM 1643 NH1 ARG I 161 55.662 10.768 7.133 1.00 0.00 N ATOM 1644 NH2 ARG I 161 55.475 10.062 9.272 1.00 0.00 N1+ ATOM 0 H ARG I 161 49.194 11.111 9.400 1.00 0.00 H new ATOM 0 HA ARG I 161 49.371 11.503 6.465 1.00 0.00 H new ATOM 0 HB2 ARG I 161 51.426 10.363 8.415 1.00 0.00 H new ATOM 0 HB3 ARG I 161 51.551 10.207 6.674 1.00 0.00 H new ATOM 0 HG2 ARG I 161 51.350 12.779 6.540 1.00 0.00 H new ATOM 0 HG3 ARG I 161 51.519 12.807 8.284 1.00 0.00 H new ATOM 0 HD2 ARG I 161 53.528 11.614 6.307 1.00 0.00 H new ATOM 0 HD3 ARG I 161 53.733 13.107 7.201 1.00 0.00 H new ATOM 0 HE ARG I 161 53.328 11.334 9.248 1.00 0.00 H new ATOM 0 HH11 ARG I 161 55.288 11.287 6.338 1.00 0.00 H new ATOM 0 HH12 ARG I 161 56.553 10.279 7.049 1.00 0.00 H new ATOM 0 HH21 ARG I 161 54.956 10.029 10.149 1.00 0.00 H new ATOM 0 HH22 ARG I 161 56.366 9.573 9.188 1.00 0.00 H new ATOM 1658 N HIS I 162 48.672 9.164 6.003 1.00 0.00 N ATOM 1659 CA HIS I 162 48.102 7.848 5.750 1.00 0.00 C ATOM 1660 C HIS I 162 48.153 7.517 4.261 1.00 0.00 C ATOM 1661 O HIS I 162 47.925 8.381 3.414 1.00 0.00 O ATOM 1662 CB HIS I 162 46.651 7.810 6.235 1.00 0.00 C ATOM 1663 CG HIS I 162 45.900 8.981 5.664 1.00 0.00 C ATOM 1664 ND1 HIS I 162 45.424 8.994 4.362 1.00 0.00 N ATOM 1665 CD2 HIS I 162 45.530 10.186 6.209 1.00 0.00 C ATOM 1666 CE1 HIS I 162 44.803 10.172 4.169 1.00 0.00 C ATOM 1667 NE2 HIS I 162 44.839 10.937 5.262 1.00 0.00 N ATOM 0 H HIS I 162 48.755 9.757 5.178 1.00 0.00 H new ATOM 0 HA HIS I 162 48.688 7.107 6.293 1.00 0.00 H new ATOM 0 HB2 HIS I 162 46.178 6.877 5.928 1.00 0.00 H new ATOM 0 HB3 HIS I 162 46.620 7.840 7.324 1.00 0.00 H new ATOM 0 HD1 HIS I 162 45.526 8.247 3.675 1.00 0.00 H new ATOM 0 HD2 HIS I 162 45.743 10.503 7.219 1.00 0.00 H new ATOM 0 HE1 HIS I 162 44.332 10.463 3.242 1.00 0.00 H new ATOM 1676 N LYS I 163 48.447 6.260 3.951 1.00 0.00 N ATOM 1677 CA LYS I 163 48.516 5.818 2.562 1.00 0.00 C ATOM 1678 C LYS I 163 47.121 5.714 1.955 1.00 0.00 C ATOM 1679 O LYS I 163 46.965 5.696 0.734 1.00 0.00 O ATOM 1680 CB LYS I 163 49.219 4.466 2.477 1.00 0.00 C ATOM 1681 CG LYS I 163 48.354 3.400 3.152 1.00 0.00 C ATOM 1682 CD LYS I 163 49.255 2.339 3.797 1.00 0.00 C ATOM 1683 CE LYS I 163 50.012 2.936 4.993 1.00 0.00 C ATOM 1684 NZ LYS I 163 50.037 1.951 6.107 1.00 0.00 N1+ ATOM 0 H LYS I 163 48.641 5.531 4.638 1.00 0.00 H new ATOM 0 HA LYS I 163 49.085 6.557 1.997 1.00 0.00 H new ATOM 0 HB2 LYS I 163 49.395 4.200 1.435 1.00 0.00 H new ATOM 0 HB3 LYS I 163 50.194 4.520 2.962 1.00 0.00 H new ATOM 0 HG2 LYS I 163 47.717 3.859 3.908 1.00 0.00 H new ATOM 0 HG3 LYS I 163 47.694 2.935 2.419 1.00 0.00 H new ATOM 0 HD2 LYS I 163 48.653 1.492 4.126 1.00 0.00 H new ATOM 0 HD3 LYS I 163 49.965 1.959 3.062 1.00 0.00 H new ATOM 0 HE2 LYS I 163 51.029 3.195 4.700 1.00 0.00 H new ATOM 0 HE3 LYS I 163 49.529 3.857 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS I 163 50.550 2.355 6.917 1.00 0.00 H new ATOM 0 HZ2 LYS I 163 49.063 1.725 6.392 1.00 0.00 H new ATOM 0 HZ3 LYS I 163 50.516 1.083 5.792 1.00 0.00 H new ATOM 1698 N GLU I 164 46.110 5.634 2.814 1.00 0.00 N ATOM 1699 CA GLU I 164 44.733 5.520 2.349 1.00 0.00 C ATOM 1700 C GLU I 164 44.221 6.868 1.858 1.00 0.00 C ATOM 1701 O GLU I 164 43.772 7.701 2.646 1.00 0.00 O ATOM 1702 CB GLU I 164 43.844 5.021 3.489 1.00 0.00 C ATOM 1703 CG GLU I 164 44.260 3.602 3.880 1.00 0.00 C ATOM 1704 CD GLU I 164 43.454 3.135 5.088 1.00 0.00 C ATOM 1705 OE1 GLU I 164 42.624 3.900 5.552 1.00 0.00 O ATOM 1706 OE2 GLU I 164 43.685 2.025 5.535 1.00 0.00 O1- ATOM 0 H GLU I 164 46.217 5.646 3.828 1.00 0.00 H new ATOM 0 HA GLU I 164 44.703 4.810 1.522 1.00 0.00 H new ATOM 0 HB2 GLU I 164 43.930 5.686 4.348 1.00 0.00 H new ATOM 0 HB3 GLU I 164 42.799 5.032 3.180 1.00 0.00 H new ATOM 0 HG2 GLU I 164 44.100 2.924 3.042 1.00 0.00 H new ATOM 0 HG3 GLU I 164 45.325 3.577 4.112 1.00 0.00 H new ATOM 1713 N SER I 165 44.292 7.078 0.547 1.00 0.00 N ATOM 1714 CA SER I 165 43.833 8.327 -0.046 1.00 0.00 C ATOM 1715 C SER I 165 42.309 8.382 -0.072 1.00 0.00 C ATOM 1716 O SER I 165 41.716 9.461 -0.078 1.00 0.00 O ATOM 1717 CB SER I 165 44.371 8.461 -1.467 1.00 0.00 C ATOM 1718 OG SER I 165 45.792 8.489 -1.430 1.00 0.00 O ATOM 0 H SER I 165 44.661 6.402 -0.121 1.00 0.00 H new ATOM 0 HA SER I 165 44.205 9.151 0.563 1.00 0.00 H new ATOM 0 HB2 SER I 165 44.028 7.626 -2.078 1.00 0.00 H new ATOM 0 HB3 SER I 165 43.990 9.372 -1.928 1.00 0.00 H new ATOM 0 HG SER I 165 46.141 8.573 -2.342 1.00 0.00 H new ATOM 1724 N LEU I 166 41.681 7.211 -0.097 1.00 0.00 N ATOM 1725 CA LEU I 166 40.224 7.135 -0.131 1.00 0.00 C ATOM 1726 C LEU I 166 39.673 7.948 -1.294 1.00 0.00 C ATOM 1727 O LEU I 166 39.464 7.424 -2.388 1.00 0.00 O ATOM 1728 CB LEU I 166 39.639 7.663 1.181 1.00 0.00 C ATOM 1729 CG LEU I 166 39.940 6.673 2.314 1.00 0.00 C ATOM 1730 CD1 LEU I 166 39.542 7.288 3.658 1.00 0.00 C ATOM 1731 CD2 LEU I 166 39.160 5.366 2.102 1.00 0.00 C ATOM 0 H LEU I 166 42.154 6.307 -0.094 1.00 0.00 H new ATOM 0 HA LEU I 166 39.939 6.091 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU I 166 40.065 8.639 1.414 1.00 0.00 H new ATOM 0 HB3 LEU I 166 38.562 7.801 1.081 1.00 0.00 H new ATOM 0 HG LEU I 166 41.008 6.455 2.312 1.00 0.00 H new ATOM 0 HD11 LEU I 166 39.758 6.581 4.460 1.00 0.00 H new ATOM 0 HD12 LEU I 166 40.108 8.205 3.821 1.00 0.00 H new ATOM 0 HD13 LEU I 166 38.476 7.516 3.652 1.00 0.00 H new ATOM 0 HD21 LEU I 166 39.383 4.673 2.913 1.00 0.00 H new ATOM 0 HD22 LEU I 166 38.091 5.578 2.090 1.00 0.00 H new ATOM 0 HD23 LEU I 166 39.452 4.918 1.152 1.00 0.00 H new ATOM 1743 N ASP I 167 39.439 9.233 -1.051 1.00 0.00 N ATOM 1744 CA ASP I 167 38.910 10.109 -2.090 1.00 0.00 C ATOM 1745 C ASP I 167 40.020 10.556 -3.036 1.00 0.00 C ATOM 1746 O ASP I 167 41.078 11.008 -2.596 1.00 0.00 O ATOM 1747 CB ASP I 167 38.259 11.337 -1.454 1.00 0.00 C ATOM 1748 CG ASP I 167 36.950 10.946 -0.777 1.00 0.00 C ATOM 1749 OD1 ASP I 167 36.496 9.837 -1.006 1.00 0.00 O ATOM 1750 OD2 ASP I 167 36.418 11.763 -0.045 1.00 0.00 O1- ATOM 0 H ASP I 167 39.605 9.688 -0.153 1.00 0.00 H new ATOM 0 HA ASP I 167 38.165 9.553 -2.660 1.00 0.00 H new ATOM 0 HB2 ASP I 167 38.936 11.780 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP I 167 38.071 12.094 -2.215 1.00 0.00 H new ATOM 1755 N LEU I 168 39.765 10.431 -4.337 1.00 0.00 N ATOM 1756 CA LEU I 168 40.740 10.829 -5.352 1.00 0.00 C ATOM 1757 C LEU I 168 40.160 11.901 -6.266 1.00 0.00 C ATOM 1758 O LEU I 168 40.896 12.717 -6.823 1.00 0.00 O ATOM 1759 CB LEU I 168 41.155 9.612 -6.180 1.00 0.00 C ATOM 1760 CG LEU I 168 42.084 8.725 -5.343 1.00 0.00 C ATOM 1761 CD1 LEU I 168 42.270 7.378 -6.042 1.00 0.00 C ATOM 1762 CD2 LEU I 168 43.456 9.401 -5.169 1.00 0.00 C ATOM 0 H LEU I 168 38.893 10.058 -4.713 1.00 0.00 H new ATOM 0 HA LEU I 168 41.615 11.240 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU I 168 40.274 9.048 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU I 168 41.662 9.932 -7.090 1.00 0.00 H new ATOM 0 HG LEU I 168 41.635 8.574 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU I 168 42.931 6.747 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU I 168 41.302 6.888 -6.152 1.00 0.00 H new ATOM 0 HD13 LEU I 168 42.710 7.537 -7.027 1.00 0.00 H new ATOM 0 HD21 LEU I 168 44.105 8.759 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU I 168 43.908 9.565 -6.147 1.00 0.00 H new ATOM 0 HD23 LEU I 168 43.328 10.358 -4.664 1.00 0.00 H new ATOM 1774 N ARG I 169 38.840 11.888 -6.414 1.00 0.00 N ATOM 1775 CA ARG I 169 38.156 12.860 -7.262 1.00 0.00 C ATOM 1776 C ARG I 169 37.127 13.650 -6.461 1.00 0.00 C ATOM 1777 O ARG I 169 36.420 14.497 -7.007 1.00 0.00 O ATOM 1778 CB ARG I 169 37.471 12.141 -8.425 1.00 0.00 C ATOM 1779 CG ARG I 169 36.554 11.045 -7.878 1.00 0.00 C ATOM 1780 CD ARG I 169 35.964 10.246 -9.041 1.00 0.00 C ATOM 1781 NE ARG I 169 35.216 9.101 -8.538 1.00 0.00 N ATOM 1782 CZ ARG I 169 34.799 8.140 -9.356 1.00 0.00 C ATOM 1783 NH1 ARG I 169 35.059 8.213 -10.633 1.00 0.00 N ATOM 1784 NH2 ARG I 169 34.134 7.122 -8.883 1.00 0.00 N1+ ATOM 0 H ARG I 169 38.222 11.216 -5.959 1.00 0.00 H new ATOM 0 HA ARG I 169 38.896 13.558 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG I 169 36.894 12.852 -9.016 1.00 0.00 H new ATOM 0 HB3 ARG I 169 38.218 11.707 -9.089 1.00 0.00 H new ATOM 0 HG2 ARG I 169 37.114 10.384 -7.216 1.00 0.00 H new ATOM 0 HG3 ARG I 169 35.754 11.488 -7.284 1.00 0.00 H new ATOM 0 HD2 ARG I 169 35.310 10.884 -9.635 1.00 0.00 H new ATOM 0 HD3 ARG I 169 36.763 9.906 -9.700 1.00 0.00 H new ATOM 0 HE ARG I 169 35.009 9.036 -7.541 1.00 0.00 H new ATOM 0 HH11 ARG I 169 35.582 9.007 -11.002 1.00 0.00 H new ATOM 0 HH12 ARG I 169 34.739 7.476 -11.261 1.00 0.00 H new ATOM 0 HH21 ARG I 169 33.934 7.063 -7.885 1.00 0.00 H new ATOM 0 HH22 ARG I 169 33.814 6.385 -9.512 1.00 0.00 H new ATOM 1798 N ALA I 170 37.051 13.369 -5.165 1.00 0.00 N ATOM 1799 CA ALA I 170 36.106 14.063 -4.299 1.00 0.00 C ATOM 1800 C ALA I 170 36.817 15.136 -3.482 1.00 0.00 C ATOM 1801 O ALA I 170 36.201 16.156 -3.217 1.00 0.00 O ATOM 1802 CB ALA I 170 35.431 13.064 -3.358 1.00 0.00 C ATOM 1803 OXT ALA I 170 37.966 14.924 -3.132 1.00 0.00 O ATOM 0 H ALA I 170 37.627 12.671 -4.694 1.00 0.00 H new ATOM 0 HA ALA I 170 35.351 14.540 -4.924 1.00 0.00 H new ATOM 0 HB1 ALA I 170 34.726 13.590 -2.714 1.00 0.00 H new ATOM 0 HB2 ALA I 170 34.898 12.315 -3.944 1.00 0.00 H new ATOM 0 HB3 ALA I 170 36.187 12.574 -2.745 1.00 0.00 H new TER 1809 ALA I 170 HETATM 1810 CA CA C 101 20.092 17.312 15.937 1.00 0.00 CA