USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 LYS NZ :NH3+ -164:sc= 0.921 (180deg=0.759) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 68 MET CE :methyl -154:sc= -0.0244 (180deg=-0.0586) USER MOD Set 2.2: A 74 CYS SG : rot 121:sc= 0.225 USER MOD Set 3.1: A 55 THR OG1 : rot 72:sc= 1.19 USER MOD Set 3.2: A 57 THR OG1 : rot 60:sc= 1.19 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.789 (180deg=0.655) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 12 HIS : no HE2:sc= 1.35 K(o=1.3,f=-5.5!) USER MOD Single : A 16 THR OG1 : rot -71:sc= 1.48 USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= 1.24 (180deg=1.22) USER MOD Single : A 30 MET CE :methyl 141:sc= -0.659 (180deg=-1.62) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -177:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 75:sc= 1.26 USER MOD Single : A 45 MET CE :methyl -168:sc= -0.313 (180deg=-0.522) USER MOD Single : A 47 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.15) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -167:sc= 0.827 (180deg=0.703) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0493) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.624 (180deg=0.0138) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 1.31 (180deg=1.15) USER MOD Single : A 78 MET CE :methyl -151:sc= -0.0597 (180deg=-1) USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 157:sc= 1.16 (180deg=0.737) USER MOD Single : A 98 SER OG : rot 180:sc= 0.397 USER MOD Single : A 109 THR OG1 : rot 97:sc= 1.98 USER MOD Single : A 110 GLN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.878 0.419 -4.863 1.00 0.00 N ATOM 2 CA MET A 1 6.530 0.800 -3.470 1.00 0.00 C ATOM 3 C MET A 1 7.659 1.637 -2.853 1.00 0.00 C ATOM 4 O MET A 1 8.825 1.485 -3.226 1.00 0.00 O ATOM 5 CB MET A 1 6.227 -0.425 -2.579 1.00 0.00 C ATOM 6 CG MET A 1 4.908 -1.124 -2.938 1.00 0.00 C ATOM 7 SD MET A 1 4.488 -2.505 -1.835 1.00 0.00 S ATOM 8 CE MET A 1 2.914 -3.020 -2.576 1.00 0.00 C ATOM 0 H1 MET A 1 6.235 -0.331 -5.189 1.00 0.00 H new ATOM 0 H2 MET A 1 6.785 1.248 -5.483 1.00 0.00 H new ATOM 0 H3 MET A 1 7.858 0.073 -4.894 1.00 0.00 H new ATOM 0 HA MET A 1 5.618 1.395 -3.518 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.045 -1.140 -2.666 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.190 -0.108 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.101 -0.392 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.970 -1.494 -3.961 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.510 -3.866 -2.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.207 -2.191 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.079 -3.313 -3.613 1.00 0.00 H new ATOM 20 N ALA A 2 7.325 2.514 -1.897 1.00 0.00 N ATOM 21 CA ALA A 2 8.273 3.309 -1.115 1.00 0.00 C ATOM 22 C ALA A 2 7.610 3.686 0.207 1.00 0.00 C ATOM 23 O ALA A 2 6.397 3.908 0.237 1.00 0.00 O ATOM 24 CB ALA A 2 8.635 4.592 -1.877 1.00 0.00 C ATOM 0 H ALA A 2 6.354 2.693 -1.640 1.00 0.00 H new ATOM 0 HA ALA A 2 9.180 2.731 -0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.341 5.178 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.089 4.332 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.733 5.179 -2.051 1.00 0.00 H new ATOM 30 N SER A 3 8.388 3.862 1.272 1.00 0.00 N ATOM 31 CA SER A 3 7.900 4.225 2.607 1.00 0.00 C ATOM 32 C SER A 3 7.436 5.692 2.719 1.00 0.00 C ATOM 33 O SER A 3 7.271 6.223 3.817 1.00 0.00 O ATOM 34 CB SER A 3 8.996 3.901 3.635 1.00 0.00 C ATOM 35 OG SER A 3 9.538 2.604 3.416 1.00 0.00 O ATOM 0 H SER A 3 9.402 3.754 1.233 1.00 0.00 H new ATOM 0 HA SER A 3 7.007 3.634 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.790 4.645 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.583 3.960 4.642 1.00 0.00 H new ATOM 0 HG SER A 3 10.234 2.424 4.082 1.00 0.00 H new ATOM 41 N VAL A 4 7.242 6.355 1.579 1.00 0.00 N ATOM 42 CA VAL A 4 6.802 7.743 1.461 1.00 0.00 C ATOM 43 C VAL A 4 5.311 7.897 1.832 1.00 0.00 C ATOM 44 O VAL A 4 4.841 9.016 2.036 1.00 0.00 O ATOM 45 CB VAL A 4 7.133 8.218 0.024 1.00 0.00 C ATOM 46 CG1 VAL A 4 6.177 7.638 -1.019 1.00 0.00 C ATOM 47 CG2 VAL A 4 7.202 9.744 -0.100 1.00 0.00 C ATOM 0 H VAL A 4 7.395 5.917 0.671 1.00 0.00 H new ATOM 0 HA VAL A 4 7.330 8.380 2.171 1.00 0.00 H new ATOM 0 HB VAL A 4 8.130 7.829 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.453 8.003 -2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.238 6.550 -1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.157 7.948 -0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.437 10.015 -1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.241 10.175 0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.977 10.128 0.563 1.00 0.00 H new ATOM 57 N GLU A 5 4.557 6.789 1.891 1.00 0.00 N ATOM 58 CA GLU A 5 3.118 6.792 2.148 1.00 0.00 C ATOM 59 C GLU A 5 2.765 7.470 3.481 1.00 0.00 C ATOM 60 O GLU A 5 3.494 7.355 4.471 1.00 0.00 O ATOM 61 CB GLU A 5 2.554 5.354 2.113 1.00 0.00 C ATOM 62 CG GLU A 5 3.245 4.369 3.078 1.00 0.00 C ATOM 63 CD GLU A 5 2.475 3.045 3.226 1.00 0.00 C ATOM 64 OE1 GLU A 5 1.613 2.950 4.128 1.00 0.00 O ATOM 65 OE2 GLU A 5 2.763 2.087 2.471 1.00 0.00 O ATOM 0 H GLU A 5 4.941 5.853 1.759 1.00 0.00 H new ATOM 0 HA GLU A 5 2.655 7.376 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 5 1.491 5.389 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 5 2.641 4.968 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.253 4.160 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.347 4.837 4.057 1.00 0.00 H new ATOM 72 N ARG A 6 1.619 8.163 3.511 1.00 0.00 N ATOM 73 CA ARG A 6 1.032 8.654 4.754 1.00 0.00 C ATOM 74 C ARG A 6 0.423 7.430 5.439 1.00 0.00 C ATOM 75 O ARG A 6 0.715 7.151 6.600 1.00 0.00 O ATOM 76 CB ARG A 6 0.013 9.764 4.419 1.00 0.00 C ATOM 77 CG ARG A 6 -0.817 10.289 5.603 1.00 0.00 C ATOM 78 CD ARG A 6 -2.084 9.456 5.856 1.00 0.00 C ATOM 79 NE ARG A 6 -2.935 10.059 6.899 1.00 0.00 N ATOM 80 CZ ARG A 6 -3.909 10.960 6.714 1.00 0.00 C ATOM 81 NH1 ARG A 6 -4.188 11.426 5.498 1.00 0.00 N ATOM 82 NH2 ARG A 6 -4.606 11.396 7.758 1.00 0.00 N ATOM 0 H ARG A 6 1.079 8.395 2.677 1.00 0.00 H new ATOM 0 HA ARG A 6 1.751 9.112 5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 6 0.550 10.603 3.976 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.671 9.386 3.659 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.201 10.288 6.502 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.100 11.324 5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.652 9.367 4.930 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.802 8.447 6.155 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.765 9.759 7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.657 11.097 4.692 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.933 12.112 5.373 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.398 11.045 8.693 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.349 12.082 7.625 1.00 0.00 H new ATOM 96 N ASP A 7 -0.384 6.685 4.682 1.00 0.00 N ATOM 97 CA ASP A 7 -0.944 5.373 4.982 1.00 0.00 C ATOM 98 C ASP A 7 -1.463 4.835 3.642 1.00 0.00 C ATOM 99 O ASP A 7 -1.686 5.627 2.719 1.00 0.00 O ATOM 100 CB ASP A 7 -2.099 5.506 5.986 1.00 0.00 C ATOM 101 CG ASP A 7 -2.722 4.143 6.306 1.00 0.00 C ATOM 102 OD1 ASP A 7 -2.132 3.372 7.095 1.00 0.00 O ATOM 103 OD2 ASP A 7 -3.802 3.846 5.752 1.00 0.00 O ATOM 0 H ASP A 7 -0.686 7.016 3.766 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.205 4.707 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.734 5.965 6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -2.862 6.170 5.579 1.00 0.00 H new ATOM 108 N GLU A 8 -1.708 3.529 3.513 1.00 0.00 N ATOM 109 CA GLU A 8 -2.322 2.934 2.321 1.00 0.00 C ATOM 110 C GLU A 8 -3.669 3.588 1.981 1.00 0.00 C ATOM 111 O GLU A 8 -4.048 3.630 0.810 1.00 0.00 O ATOM 112 CB GLU A 8 -2.500 1.419 2.505 1.00 0.00 C ATOM 113 CG GLU A 8 -1.165 0.670 2.615 1.00 0.00 C ATOM 114 CD GLU A 8 -1.379 -0.852 2.700 1.00 0.00 C ATOM 115 OE1 GLU A 8 -1.406 -1.529 1.646 1.00 0.00 O ATOM 116 OE2 GLU A 8 -1.508 -1.395 3.821 1.00 0.00 O ATOM 0 H GLU A 8 -1.484 2.848 4.239 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.646 3.116 1.485 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.090 1.234 3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.067 1.020 1.664 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -0.543 0.904 1.751 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -0.626 1.013 3.498 1.00 0.00 H new ATOM 123 N THR A 9 -4.367 4.157 2.970 1.00 0.00 N ATOM 124 CA THR A 9 -5.577 4.947 2.771 1.00 0.00 C ATOM 125 C THR A 9 -5.378 6.059 1.727 1.00 0.00 C ATOM 126 O THR A 9 -6.317 6.355 0.991 1.00 0.00 O ATOM 127 CB THR A 9 -6.054 5.496 4.128 1.00 0.00 C ATOM 128 OG1 THR A 9 -6.211 4.441 5.057 1.00 0.00 O ATOM 129 CG2 THR A 9 -7.392 6.241 4.046 1.00 0.00 C ATOM 0 H THR A 9 -4.097 4.077 3.950 1.00 0.00 H new ATOM 0 HA THR A 9 -6.356 4.302 2.364 1.00 0.00 H new ATOM 0 HB THR A 9 -5.285 6.200 4.446 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.395 4.353 5.593 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.669 6.601 5.037 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.296 7.087 3.366 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.163 5.565 3.677 1.00 0.00 H new ATOM 137 N ARG A 10 -4.183 6.657 1.597 1.00 0.00 N ATOM 138 CA ARG A 10 -3.950 7.686 0.581 1.00 0.00 C ATOM 139 C ARG A 10 -4.091 7.081 -0.811 1.00 0.00 C ATOM 140 O ARG A 10 -4.828 7.617 -1.635 1.00 0.00 O ATOM 141 CB ARG A 10 -2.568 8.342 0.792 1.00 0.00 C ATOM 142 CG ARG A 10 -2.262 9.470 -0.212 1.00 0.00 C ATOM 143 CD ARG A 10 -3.116 10.729 0.008 1.00 0.00 C ATOM 144 NE ARG A 10 -3.355 11.435 -1.262 1.00 0.00 N ATOM 145 CZ ARG A 10 -4.529 11.759 -1.817 1.00 0.00 C ATOM 146 NH1 ARG A 10 -5.683 11.463 -1.221 1.00 0.00 N ATOM 147 NH2 ARG A 10 -4.539 12.390 -2.984 1.00 0.00 N ATOM 0 H ARG A 10 -3.372 6.446 2.179 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.699 8.472 0.678 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.516 8.744 1.804 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.796 7.577 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.208 9.737 -0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.426 9.100 -1.224 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.069 10.452 0.459 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.614 11.395 0.709 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.523 11.711 -1.783 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.684 10.980 -0.323 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.566 11.720 -1.663 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.660 12.622 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.426 12.643 -3.419 1.00 0.00 H new ATOM 161 N GLU A 11 -3.425 5.956 -1.070 1.00 0.00 N ATOM 162 CA GLU A 11 -3.525 5.274 -2.354 1.00 0.00 C ATOM 163 C GLU A 11 -4.942 4.752 -2.577 1.00 0.00 C ATOM 164 O GLU A 11 -5.437 4.828 -3.697 1.00 0.00 O ATOM 165 CB GLU A 11 -2.501 4.137 -2.461 1.00 0.00 C ATOM 166 CG GLU A 11 -1.066 4.681 -2.515 1.00 0.00 C ATOM 167 CD GLU A 11 -0.036 3.626 -2.943 1.00 0.00 C ATOM 168 OE1 GLU A 11 -0.206 2.421 -2.645 1.00 0.00 O ATOM 169 OE2 GLU A 11 0.999 3.997 -3.536 1.00 0.00 O ATOM 0 H GLU A 11 -2.807 5.497 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.299 5.998 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.607 3.468 -1.607 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.702 3.547 -3.355 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.028 5.520 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.794 5.068 -1.533 1.00 0.00 H new ATOM 176 N HIS A 12 -5.623 4.276 -1.532 1.00 0.00 N ATOM 177 CA HIS A 12 -7.012 3.841 -1.643 1.00 0.00 C ATOM 178 C HIS A 12 -7.941 5.013 -2.001 1.00 0.00 C ATOM 179 O HIS A 12 -8.871 4.846 -2.791 1.00 0.00 O ATOM 180 CB HIS A 12 -7.451 3.147 -0.348 1.00 0.00 C ATOM 181 CG HIS A 12 -8.878 2.656 -0.378 1.00 0.00 C ATOM 182 ND1 HIS A 12 -9.511 1.995 -1.410 1.00 0.00 N ATOM 183 CD2 HIS A 12 -9.810 2.849 0.606 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.795 1.816 -1.061 1.00 0.00 C ATOM 185 NE2 HIS A 12 -11.036 2.336 0.158 1.00 0.00 N ATOM 0 H HIS A 12 -5.230 4.183 -0.595 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.084 3.121 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.789 2.302 -0.156 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -7.332 3.841 0.484 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -9.080 1.695 -2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.632 3.316 1.563 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.534 1.322 -1.674 1.00 0.00 H new ATOM 193 N ARG A 13 -7.713 6.219 -1.471 1.00 0.00 N ATOM 194 CA ARG A 13 -8.520 7.383 -1.841 1.00 0.00 C ATOM 195 C ARG A 13 -8.176 7.859 -3.243 1.00 0.00 C ATOM 196 O ARG A 13 -9.091 8.199 -3.985 1.00 0.00 O ATOM 197 CB ARG A 13 -8.430 8.491 -0.779 1.00 0.00 C ATOM 198 CG ARG A 13 -9.196 8.095 0.498 1.00 0.00 C ATOM 199 CD ARG A 13 -10.729 8.090 0.324 1.00 0.00 C ATOM 200 NE ARG A 13 -11.369 7.188 1.299 1.00 0.00 N ATOM 201 CZ ARG A 13 -11.662 5.892 1.108 1.00 0.00 C ATOM 202 NH1 ARG A 13 -11.580 5.321 -0.092 1.00 0.00 N ATOM 203 NH2 ARG A 13 -12.032 5.145 2.143 1.00 0.00 N ATOM 0 H ARG A 13 -6.980 6.413 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.568 7.084 -1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.385 8.683 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.839 9.418 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.872 7.103 0.813 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.932 8.786 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.116 9.101 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.983 7.776 -0.688 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.612 7.587 2.206 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.287 5.871 -0.900 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.810 4.333 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.092 5.557 3.074 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.256 4.159 2.006 1.00 0.00 H new ATOM 217 N ILE A 14 -6.910 7.806 -3.659 1.00 0.00 N ATOM 218 CA ILE A 14 -6.545 8.038 -5.058 1.00 0.00 C ATOM 219 C ILE A 14 -7.325 7.054 -5.941 1.00 0.00 C ATOM 220 O ILE A 14 -7.974 7.464 -6.906 1.00 0.00 O ATOM 221 CB ILE A 14 -5.008 7.938 -5.220 1.00 0.00 C ATOM 222 CG1 ILE A 14 -4.337 9.186 -4.601 1.00 0.00 C ATOM 223 CG2 ILE A 14 -4.599 7.744 -6.692 1.00 0.00 C ATOM 224 CD1 ILE A 14 -2.843 9.009 -4.310 1.00 0.00 C ATOM 0 H ILE A 14 -6.119 7.604 -3.047 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.818 9.043 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.661 7.054 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.467 10.030 -5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.850 9.440 -3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.513 7.679 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.043 6.825 -7.075 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.950 8.591 -7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -2.445 9.927 -3.878 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.704 8.187 -3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.315 8.787 -5.238 1.00 0.00 H new ATOM 236 N GLU A 15 -7.309 5.772 -5.583 1.00 0.00 N ATOM 237 CA GLU A 15 -7.965 4.697 -6.312 1.00 0.00 C ATOM 238 C GLU A 15 -9.475 4.941 -6.464 1.00 0.00 C ATOM 239 O GLU A 15 -10.050 4.546 -7.476 1.00 0.00 O ATOM 240 CB GLU A 15 -7.658 3.377 -5.580 1.00 0.00 C ATOM 241 CG GLU A 15 -8.521 2.169 -5.961 1.00 0.00 C ATOM 242 CD GLU A 15 -8.192 0.961 -5.066 1.00 0.00 C ATOM 243 OE1 GLU A 15 -8.557 0.974 -3.867 1.00 0.00 O ATOM 244 OE2 GLU A 15 -7.581 -0.016 -5.559 1.00 0.00 O ATOM 0 H GLU A 15 -6.822 5.445 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.579 4.650 -7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.614 3.121 -5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.764 3.548 -4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.576 2.424 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.352 1.910 -7.006 1.00 0.00 H new ATOM 251 N THR A 16 -10.112 5.600 -5.491 1.00 0.00 N ATOM 252 CA THR A 16 -11.567 5.742 -5.424 1.00 0.00 C ATOM 253 C THR A 16 -12.053 7.161 -5.779 1.00 0.00 C ATOM 254 O THR A 16 -13.263 7.378 -5.872 1.00 0.00 O ATOM 255 CB THR A 16 -12.075 5.234 -4.057 1.00 0.00 C ATOM 256 OG1 THR A 16 -11.348 5.778 -2.970 1.00 0.00 O ATOM 257 CG2 THR A 16 -11.957 3.710 -3.953 1.00 0.00 C ATOM 0 H THR A 16 -9.624 6.055 -4.719 1.00 0.00 H new ATOM 0 HA THR A 16 -12.011 5.114 -6.197 1.00 0.00 H new ATOM 0 HB THR A 16 -13.116 5.553 -4.001 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.451 5.384 -2.947 1.00 0.00 H new ATOM 0 HG21 THR A 16 -12.322 3.382 -2.980 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.551 3.245 -4.739 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.913 3.417 -4.066 1.00 0.00 H new ATOM 265 N GLU A 17 -11.140 8.109 -6.036 1.00 0.00 N ATOM 266 CA GLU A 17 -11.497 9.513 -6.271 1.00 0.00 C ATOM 267 C GLU A 17 -10.741 10.153 -7.448 1.00 0.00 C ATOM 268 O GLU A 17 -11.243 11.116 -8.028 1.00 0.00 O ATOM 269 CB GLU A 17 -11.289 10.297 -4.961 1.00 0.00 C ATOM 270 CG GLU A 17 -11.965 11.675 -4.958 1.00 0.00 C ATOM 271 CD GLU A 17 -11.902 12.332 -3.567 1.00 0.00 C ATOM 272 OE1 GLU A 17 -10.902 13.017 -3.254 1.00 0.00 O ATOM 273 OE2 GLU A 17 -12.867 12.195 -2.780 1.00 0.00 O ATOM 0 H GLU A 17 -10.138 7.924 -6.086 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.545 9.551 -6.567 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.677 9.709 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.220 10.425 -4.789 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -11.479 12.321 -5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.006 11.572 -5.266 1.00 0.00 H new ATOM 280 N ILE A 18 -9.576 9.624 -7.845 1.00 0.00 N ATOM 281 CA ILE A 18 -8.677 10.279 -8.806 1.00 0.00 C ATOM 282 C ILE A 18 -8.452 9.375 -10.027 1.00 0.00 C ATOM 283 O ILE A 18 -8.466 9.879 -11.150 1.00 0.00 O ATOM 284 CB ILE A 18 -7.376 10.711 -8.077 1.00 0.00 C ATOM 285 CG1 ILE A 18 -7.682 11.854 -7.075 1.00 0.00 C ATOM 286 CG2 ILE A 18 -6.275 11.167 -9.056 1.00 0.00 C ATOM 287 CD1 ILE A 18 -6.616 12.056 -5.991 1.00 0.00 C ATOM 0 H ILE A 18 -9.229 8.726 -7.508 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.126 11.190 -9.202 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.003 9.835 -7.546 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.797 12.785 -7.630 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.638 11.650 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.387 11.458 -8.495 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.026 10.348 -9.730 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.633 12.018 -9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.914 12.875 -5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.515 11.142 -5.406 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.661 12.295 -6.460 1.00 0.00 H new ATOM 299 N ILE A 19 -8.331 8.054 -9.847 1.00 0.00 N ATOM 300 CA ILE A 19 -8.170 7.088 -10.946 1.00 0.00 C ATOM 301 C ILE A 19 -9.310 6.062 -10.986 1.00 0.00 C ATOM 302 O ILE A 19 -9.220 5.067 -11.702 1.00 0.00 O ATOM 303 CB ILE A 19 -6.775 6.450 -10.929 1.00 0.00 C ATOM 304 CG1 ILE A 19 -6.544 5.698 -9.611 1.00 0.00 C ATOM 305 CG2 ILE A 19 -5.706 7.515 -11.228 1.00 0.00 C ATOM 306 CD1 ILE A 19 -5.163 5.074 -9.557 1.00 0.00 C ATOM 0 H ILE A 19 -8.342 7.619 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.243 7.638 -11.884 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.698 5.703 -11.719 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.666 6.385 -8.774 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.300 4.920 -9.498 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.719 7.053 -11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.890 7.949 -12.211 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.751 8.298 -10.471 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.037 4.551 -8.609 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.051 4.368 -10.379 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.407 5.855 -9.644 1.00 0.00 H new ATOM 318 N VAL A 20 -10.396 6.300 -10.248 1.00 0.00 N ATOM 319 CA VAL A 20 -11.557 5.411 -10.200 1.00 0.00 C ATOM 320 C VAL A 20 -12.147 5.159 -11.598 1.00 0.00 C ATOM 321 O VAL A 20 -12.618 4.057 -11.883 1.00 0.00 O ATOM 322 CB VAL A 20 -12.571 5.981 -9.187 1.00 0.00 C ATOM 323 CG1 VAL A 20 -13.210 7.313 -9.616 1.00 0.00 C ATOM 324 CG2 VAL A 20 -13.662 4.969 -8.818 1.00 0.00 C ATOM 0 H VAL A 20 -10.494 7.127 -9.659 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.256 4.422 -9.854 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.972 6.190 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -13.910 7.645 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -12.432 8.065 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -13.742 7.175 -10.557 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.350 5.420 -8.102 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.210 4.681 -9.715 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -13.204 4.086 -8.373 1.00 0.00 H new ATOM 334 N ASP A 21 -12.091 6.161 -12.483 1.00 0.00 N ATOM 335 CA ASP A 21 -12.616 6.075 -13.845 1.00 0.00 C ATOM 336 C ASP A 21 -11.588 5.490 -14.826 1.00 0.00 C ATOM 337 O ASP A 21 -11.935 5.160 -15.962 1.00 0.00 O ATOM 338 CB ASP A 21 -13.043 7.480 -14.295 1.00 0.00 C ATOM 339 CG ASP A 21 -13.714 7.477 -15.680 1.00 0.00 C ATOM 340 OD1 ASP A 21 -14.803 6.877 -15.830 1.00 0.00 O ATOM 341 OD2 ASP A 21 -13.191 8.130 -16.612 1.00 0.00 O ATOM 0 H ASP A 21 -11.673 7.066 -12.267 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.471 5.399 -13.845 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.732 7.899 -13.562 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.169 8.131 -14.320 1.00 0.00 H new ATOM 346 N ALA A 22 -10.317 5.370 -14.417 1.00 0.00 N ATOM 347 CA ALA A 22 -9.238 4.952 -15.302 1.00 0.00 C ATOM 348 C ALA A 22 -9.262 3.440 -15.556 1.00 0.00 C ATOM 349 O ALA A 22 -9.857 2.671 -14.796 1.00 0.00 O ATOM 350 CB ALA A 22 -7.878 5.397 -14.750 1.00 0.00 C ATOM 0 H ALA A 22 -10.015 5.562 -13.462 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.394 5.442 -16.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.087 5.074 -15.427 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.859 6.483 -14.662 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.720 4.950 -13.768 1.00 0.00 H new ATOM 356 N GLU A 23 -8.575 3.021 -16.623 1.00 0.00 N ATOM 357 CA GLU A 23 -8.541 1.634 -17.087 1.00 0.00 C ATOM 358 C GLU A 23 -7.209 1.284 -17.779 1.00 0.00 C ATOM 359 O GLU A 23 -6.796 0.124 -17.757 1.00 0.00 O ATOM 360 CB GLU A 23 -9.735 1.423 -18.038 1.00 0.00 C ATOM 361 CG GLU A 23 -9.950 -0.043 -18.440 1.00 0.00 C ATOM 362 CD GLU A 23 -11.244 -0.221 -19.254 1.00 0.00 C ATOM 363 OE1 GLU A 23 -11.216 -0.071 -20.497 1.00 0.00 O ATOM 364 OE2 GLU A 23 -12.303 -0.537 -18.664 1.00 0.00 O ATOM 0 H GLU A 23 -8.016 3.651 -17.199 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.617 0.965 -16.230 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.640 1.796 -17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.582 2.019 -18.938 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.099 -0.389 -19.027 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.993 -0.664 -17.545 1.00 0.00 H new ATOM 371 N ASP A 24 -6.505 2.265 -18.357 1.00 0.00 N ATOM 372 CA ASP A 24 -5.230 2.087 -19.057 1.00 0.00 C ATOM 373 C ASP A 24 -4.398 3.355 -18.832 1.00 0.00 C ATOM 374 O ASP A 24 -4.915 4.349 -18.315 1.00 0.00 O ATOM 375 CB ASP A 24 -5.482 1.829 -20.557 1.00 0.00 C ATOM 376 CG ASP A 24 -4.358 1.039 -21.255 1.00 0.00 C ATOM 377 OD1 ASP A 24 -3.164 1.225 -20.928 1.00 0.00 O ATOM 378 OD2 ASP A 24 -4.670 0.227 -22.156 1.00 0.00 O ATOM 0 H ASP A 24 -6.819 3.236 -18.349 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.687 1.223 -18.672 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.419 1.283 -20.669 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.608 2.786 -21.064 1.00 0.00 H new ATOM 383 N LYS A 25 -3.124 3.346 -19.219 1.00 0.00 N ATOM 384 CA LYS A 25 -2.136 4.388 -18.922 1.00 0.00 C ATOM 385 C LYS A 25 -2.546 5.789 -19.378 1.00 0.00 C ATOM 386 O LYS A 25 -2.151 6.770 -18.743 1.00 0.00 O ATOM 387 CB LYS A 25 -0.768 3.980 -19.490 1.00 0.00 C ATOM 388 CG LYS A 25 -0.729 3.891 -21.030 1.00 0.00 C ATOM 389 CD LYS A 25 0.491 3.109 -21.539 1.00 0.00 C ATOM 390 CE LYS A 25 0.471 1.621 -21.145 1.00 0.00 C ATOM 391 NZ LYS A 25 -0.579 0.838 -21.846 1.00 0.00 N ATOM 0 H LYS A 25 -2.733 2.582 -19.771 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.072 4.463 -17.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.019 4.700 -19.159 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.487 3.013 -19.073 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.640 3.411 -21.387 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.714 4.897 -21.449 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.537 3.189 -22.625 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.398 3.569 -21.146 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.445 1.183 -21.361 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.316 1.540 -20.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.384 -0.178 -21.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.509 1.057 -21.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.580 1.086 -22.856 1.00 0.00 H new ATOM 405 N GLU A 26 -3.342 5.892 -20.439 1.00 0.00 N ATOM 406 CA GLU A 26 -3.860 7.168 -20.910 1.00 0.00 C ATOM 407 C GLU A 26 -4.860 7.703 -19.883 1.00 0.00 C ATOM 408 O GLU A 26 -4.728 8.828 -19.405 1.00 0.00 O ATOM 409 CB GLU A 26 -4.518 6.978 -22.288 1.00 0.00 C ATOM 410 CG GLU A 26 -3.491 6.628 -23.375 1.00 0.00 C ATOM 411 CD GLU A 26 -4.152 6.491 -24.758 1.00 0.00 C ATOM 412 OE1 GLU A 26 -4.611 5.381 -25.113 1.00 0.00 O ATOM 413 OE2 GLU A 26 -4.200 7.484 -25.519 1.00 0.00 O ATOM 0 H GLU A 26 -3.645 5.092 -20.995 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.053 7.892 -21.021 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.265 6.186 -22.227 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.044 7.891 -22.567 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.723 7.401 -23.413 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.991 5.695 -23.116 1.00 0.00 H new ATOM 420 N GLU A 27 -5.827 6.878 -19.474 1.00 0.00 N ATOM 421 CA GLU A 27 -6.881 7.276 -18.547 1.00 0.00 C ATOM 422 C GLU A 27 -6.326 7.479 -17.138 1.00 0.00 C ATOM 423 O GLU A 27 -6.797 8.354 -16.414 1.00 0.00 O ATOM 424 CB GLU A 27 -7.988 6.213 -18.526 1.00 0.00 C ATOM 425 CG GLU A 27 -8.513 5.789 -19.908 1.00 0.00 C ATOM 426 CD GLU A 27 -9.022 6.969 -20.760 1.00 0.00 C ATOM 427 OE1 GLU A 27 -9.853 7.768 -20.275 1.00 0.00 O ATOM 428 OE2 GLU A 27 -8.622 7.083 -21.940 1.00 0.00 O ATOM 0 H GLU A 27 -5.898 5.908 -19.781 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.296 8.224 -18.889 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.612 5.329 -18.011 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.824 6.593 -17.938 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.717 5.277 -20.449 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.322 5.071 -19.776 1.00 0.00 H new ATOM 435 N ARG A 28 -5.295 6.708 -16.769 1.00 0.00 N ATOM 436 CA ARG A 28 -4.547 6.855 -15.522 1.00 0.00 C ATOM 437 C ARG A 28 -4.108 8.303 -15.414 1.00 0.00 C ATOM 438 O ARG A 28 -4.433 9.005 -14.457 1.00 0.00 O ATOM 439 CB ARG A 28 -3.344 5.887 -15.603 1.00 0.00 C ATOM 440 CG ARG A 28 -2.084 6.204 -14.769 1.00 0.00 C ATOM 441 CD ARG A 28 -0.799 5.667 -15.431 1.00 0.00 C ATOM 442 NE ARG A 28 -0.353 6.489 -16.581 1.00 0.00 N ATOM 443 CZ ARG A 28 0.901 6.877 -16.864 1.00 0.00 C ATOM 444 NH1 ARG A 28 1.930 6.458 -16.132 1.00 0.00 N ATOM 445 NH2 ARG A 28 1.133 7.685 -17.894 1.00 0.00 N ATOM 0 H ARG A 28 -4.951 5.943 -17.350 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.136 6.613 -14.637 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.695 4.897 -15.310 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.042 5.821 -16.648 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.999 7.283 -14.637 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.189 5.768 -13.775 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.003 5.629 -14.688 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.970 4.644 -15.767 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.079 6.794 -17.229 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.773 5.832 -15.342 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.876 6.762 -16.361 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.358 8.011 -18.471 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.086 7.979 -18.107 1.00 0.00 H new ATOM 459 N ALA A 29 -3.371 8.736 -16.431 1.00 0.00 N ATOM 460 CA ALA A 29 -2.725 10.019 -16.419 1.00 0.00 C ATOM 461 C ALA A 29 -3.734 11.138 -16.624 1.00 0.00 C ATOM 462 O ALA A 29 -3.525 12.214 -16.082 1.00 0.00 O ATOM 463 CB ALA A 29 -1.659 10.008 -17.493 1.00 0.00 C ATOM 0 H ALA A 29 -3.212 8.198 -17.283 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.261 10.206 -15.451 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.149 10.971 -17.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.938 9.219 -17.281 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.122 9.826 -18.463 1.00 0.00 H new ATOM 469 N MET A 30 -4.843 10.909 -17.334 1.00 0.00 N ATOM 470 CA MET A 30 -5.932 11.878 -17.370 1.00 0.00 C ATOM 471 C MET A 30 -6.554 12.050 -15.986 1.00 0.00 C ATOM 472 O MET A 30 -6.796 13.185 -15.586 1.00 0.00 O ATOM 473 CB MET A 30 -6.965 11.521 -18.442 1.00 0.00 C ATOM 474 CG MET A 30 -6.415 11.730 -19.861 1.00 0.00 C ATOM 475 SD MET A 30 -5.921 13.430 -20.291 1.00 0.00 S ATOM 476 CE MET A 30 -4.145 13.438 -19.888 1.00 0.00 C ATOM 0 H MET A 30 -5.006 10.067 -17.886 1.00 0.00 H new ATOM 0 HA MET A 30 -5.519 12.846 -17.654 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.270 10.482 -18.320 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.857 12.133 -18.305 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.551 11.079 -19.993 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.172 11.403 -20.573 1.00 0.00 H new ATOM 0 HE1 MET A 30 -3.603 14.010 -20.642 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.996 13.895 -18.910 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.771 12.414 -19.871 1.00 0.00 H new ATOM 486 N GLY A 31 -6.730 10.975 -15.212 1.00 0.00 N ATOM 487 CA GLY A 31 -7.154 11.071 -13.821 1.00 0.00 C ATOM 488 C GLY A 31 -6.192 11.945 -13.015 1.00 0.00 C ATOM 489 O GLY A 31 -6.617 12.907 -12.370 1.00 0.00 O ATOM 0 H GLY A 31 -6.582 10.019 -15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.159 11.489 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.201 10.075 -13.382 1.00 0.00 H new ATOM 493 N TRP A 32 -4.888 11.659 -13.115 1.00 0.00 N ATOM 494 CA TRP A 32 -3.842 12.435 -12.448 1.00 0.00 C ATOM 495 C TRP A 32 -3.896 13.913 -12.872 1.00 0.00 C ATOM 496 O TRP A 32 -3.844 14.815 -12.034 1.00 0.00 O ATOM 497 CB TRP A 32 -2.453 11.844 -12.776 1.00 0.00 C ATOM 498 CG TRP A 32 -2.165 10.402 -12.450 1.00 0.00 C ATOM 499 CD1 TRP A 32 -2.953 9.577 -11.731 1.00 0.00 C ATOM 500 CD2 TRP A 32 -1.001 9.588 -12.813 1.00 0.00 C ATOM 501 NE1 TRP A 32 -2.345 8.354 -11.561 1.00 0.00 N ATOM 502 CE2 TRP A 32 -1.126 8.306 -12.195 1.00 0.00 C ATOM 503 CE3 TRP A 32 0.148 9.790 -13.607 1.00 0.00 C ATOM 504 CZ2 TRP A 32 -0.142 7.311 -12.311 1.00 0.00 C ATOM 505 CZ3 TRP A 32 1.147 8.807 -13.723 1.00 0.00 C ATOM 506 CH2 TRP A 32 1.012 7.577 -13.061 1.00 0.00 C ATOM 0 H TRP A 32 -4.530 10.878 -13.665 1.00 0.00 H new ATOM 0 HA TRP A 32 -4.012 12.381 -11.373 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -2.286 11.977 -13.845 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -1.710 12.451 -12.259 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.926 9.839 -11.343 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.748 7.581 -11.032 1.00 0.00 H new ATOM 0 HE3 TRP A 32 0.263 10.723 -14.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.273 6.353 -11.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.023 9.000 -14.325 1.00 0.00 H new ATOM 0 HH2 TRP A 32 1.796 6.837 -13.129 1.00 0.00 H new ATOM 517 N TYR A 33 -4.015 14.155 -14.178 1.00 0.00 N ATOM 518 CA TYR A 33 -3.953 15.464 -14.797 1.00 0.00 C ATOM 519 C TYR A 33 -5.151 16.305 -14.382 1.00 0.00 C ATOM 520 O TYR A 33 -4.956 17.445 -13.971 1.00 0.00 O ATOM 521 CB TYR A 33 -3.895 15.274 -16.321 1.00 0.00 C ATOM 522 CG TYR A 33 -4.141 16.512 -17.159 1.00 0.00 C ATOM 523 CD1 TYR A 33 -3.303 17.636 -17.054 1.00 0.00 C ATOM 524 CD2 TYR A 33 -5.229 16.535 -18.050 1.00 0.00 C ATOM 525 CE1 TYR A 33 -3.555 18.781 -17.831 1.00 0.00 C ATOM 526 CE2 TYR A 33 -5.508 17.686 -18.802 1.00 0.00 C ATOM 527 CZ TYR A 33 -4.662 18.814 -18.709 1.00 0.00 C ATOM 528 OH TYR A 33 -4.923 19.918 -19.465 1.00 0.00 O ATOM 0 H TYR A 33 -4.163 13.407 -14.855 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.061 15.998 -14.469 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.914 14.875 -16.579 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.630 14.519 -16.600 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.463 17.620 -16.375 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.854 15.661 -18.156 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -2.901 19.637 -17.756 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.370 17.710 -19.452 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.722 19.760 -20.009 1.00 0.00 H new ATOM 538 N TYR A 34 -6.374 15.768 -14.443 1.00 0.00 N ATOM 539 CA TYR A 34 -7.575 16.529 -14.130 1.00 0.00 C ATOM 540 C TYR A 34 -7.593 16.919 -12.652 1.00 0.00 C ATOM 541 O TYR A 34 -7.973 18.041 -12.329 1.00 0.00 O ATOM 542 CB TYR A 34 -8.832 15.715 -14.474 1.00 0.00 C ATOM 543 CG TYR A 34 -9.043 15.291 -15.924 1.00 0.00 C ATOM 544 CD1 TYR A 34 -8.393 15.927 -17.006 1.00 0.00 C ATOM 545 CD2 TYR A 34 -9.939 14.235 -16.183 1.00 0.00 C ATOM 546 CE1 TYR A 34 -8.652 15.517 -18.328 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.196 13.816 -17.500 1.00 0.00 C ATOM 548 CZ TYR A 34 -9.555 14.459 -18.581 1.00 0.00 C ATOM 549 OH TYR A 34 -9.814 14.049 -19.855 1.00 0.00 O ATOM 0 H TYR A 34 -6.553 14.800 -14.709 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.569 17.438 -14.732 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.822 14.813 -13.862 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.700 16.299 -14.168 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.696 16.730 -16.818 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.434 13.742 -15.360 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.159 16.012 -19.151 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.883 13.003 -17.685 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.458 13.310 -19.836 1.00 0.00 H new ATOM 559 N TYR A 35 -7.163 16.023 -11.758 1.00 0.00 N ATOM 560 CA TYR A 35 -7.061 16.298 -10.327 1.00 0.00 C ATOM 561 C TYR A 35 -6.134 17.491 -10.079 1.00 0.00 C ATOM 562 O TYR A 35 -6.525 18.459 -9.420 1.00 0.00 O ATOM 563 CB TYR A 35 -6.578 15.013 -9.634 1.00 0.00 C ATOM 564 CG TYR A 35 -5.916 15.138 -8.270 1.00 0.00 C ATOM 565 CD1 TYR A 35 -6.447 15.971 -7.263 1.00 0.00 C ATOM 566 CD2 TYR A 35 -4.754 14.387 -8.006 1.00 0.00 C ATOM 567 CE1 TYR A 35 -5.807 16.065 -6.013 1.00 0.00 C ATOM 568 CE2 TYR A 35 -4.117 14.466 -6.757 1.00 0.00 C ATOM 569 CZ TYR A 35 -4.642 15.306 -5.751 1.00 0.00 C ATOM 570 OH TYR A 35 -4.042 15.372 -4.532 1.00 0.00 O ATOM 0 H TYR A 35 -6.874 15.079 -12.013 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.028 16.577 -9.909 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.436 14.349 -9.528 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.873 14.519 -10.302 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.347 16.538 -7.452 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.348 13.743 -8.773 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.206 16.718 -5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.227 13.885 -6.566 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.229 14.825 -4.538 1.00 0.00 H new ATOM 580 N LEU A 36 -4.922 17.455 -10.634 1.00 0.00 N ATOM 581 CA LEU A 36 -3.940 18.510 -10.426 1.00 0.00 C ATOM 582 C LEU A 36 -4.411 19.796 -11.093 1.00 0.00 C ATOM 583 O LEU A 36 -4.371 20.846 -10.461 1.00 0.00 O ATOM 584 CB LEU A 36 -2.570 18.065 -10.962 1.00 0.00 C ATOM 585 CG LEU A 36 -1.651 17.447 -9.887 1.00 0.00 C ATOM 586 CD1 LEU A 36 -2.307 16.365 -9.025 1.00 0.00 C ATOM 587 CD2 LEU A 36 -0.458 16.809 -10.603 1.00 0.00 C ATOM 0 H LEU A 36 -4.599 16.698 -11.236 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.834 18.705 -9.359 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.721 17.337 -11.759 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.067 18.924 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.377 18.258 -9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.585 15.991 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.163 16.788 -8.500 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.640 15.545 -9.661 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.211 16.363 -9.868 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.814 16.037 -11.286 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.079 17.572 -11.166 1.00 0.00 H new ATOM 599 N ASP A 37 -4.912 19.725 -12.325 1.00 0.00 N ATOM 600 CA ASP A 37 -5.421 20.884 -13.048 1.00 0.00 C ATOM 601 C ASP A 37 -6.584 21.552 -12.313 1.00 0.00 C ATOM 602 O ASP A 37 -6.705 22.777 -12.350 1.00 0.00 O ATOM 603 CB ASP A 37 -5.853 20.468 -14.458 1.00 0.00 C ATOM 604 CG ASP A 37 -6.466 21.645 -15.231 1.00 0.00 C ATOM 605 OD1 ASP A 37 -5.702 22.491 -15.745 1.00 0.00 O ATOM 606 OD2 ASP A 37 -7.709 21.704 -15.369 1.00 0.00 O ATOM 0 H ASP A 37 -4.976 18.854 -12.852 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.616 21.616 -13.113 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.992 20.082 -15.004 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.579 19.657 -14.393 1.00 0.00 H new ATOM 611 N ASP A 38 -7.411 20.774 -11.607 1.00 0.00 N ATOM 612 CA ASP A 38 -8.520 21.313 -10.820 1.00 0.00 C ATOM 613 C ASP A 38 -8.046 21.915 -9.494 1.00 0.00 C ATOM 614 O ASP A 38 -8.707 22.802 -8.950 1.00 0.00 O ATOM 615 CB ASP A 38 -9.552 20.212 -10.545 1.00 0.00 C ATOM 616 CG ASP A 38 -10.739 20.739 -9.722 1.00 0.00 C ATOM 617 OD1 ASP A 38 -11.548 21.532 -10.258 1.00 0.00 O ATOM 618 OD2 ASP A 38 -10.905 20.327 -8.552 1.00 0.00 O ATOM 0 H ASP A 38 -7.330 19.758 -11.566 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.975 22.112 -11.405 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.915 19.809 -11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.075 19.391 -10.011 1.00 0.00 H new ATOM 623 N THR A 39 -6.903 21.461 -8.974 1.00 0.00 N ATOM 624 CA THR A 39 -6.469 21.802 -7.623 1.00 0.00 C ATOM 625 C THR A 39 -5.470 22.963 -7.624 1.00 0.00 C ATOM 626 O THR A 39 -5.594 23.884 -6.817 1.00 0.00 O ATOM 627 CB THR A 39 -5.861 20.552 -6.963 1.00 0.00 C ATOM 628 OG1 THR A 39 -6.803 19.499 -6.942 1.00 0.00 O ATOM 629 CG2 THR A 39 -5.419 20.857 -5.531 1.00 0.00 C ATOM 0 H THR A 39 -6.258 20.851 -9.476 1.00 0.00 H new ATOM 0 HA THR A 39 -7.334 22.134 -7.049 1.00 0.00 H new ATOM 0 HB THR A 39 -4.993 20.252 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.889 19.119 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.992 19.960 -5.083 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.670 21.649 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.280 21.180 -4.946 1.00 0.00 H new ATOM 637 N LEU A 40 -4.470 22.904 -8.503 1.00 0.00 N ATOM 638 CA LEU A 40 -3.353 23.837 -8.541 1.00 0.00 C ATOM 639 C LEU A 40 -3.888 25.218 -8.925 1.00 0.00 C ATOM 640 O LEU A 40 -4.457 25.384 -10.005 1.00 0.00 O ATOM 641 CB LEU A 40 -2.312 23.363 -9.571 1.00 0.00 C ATOM 642 CG LEU A 40 -1.623 22.015 -9.267 1.00 0.00 C ATOM 643 CD1 LEU A 40 -0.906 21.518 -10.526 1.00 0.00 C ATOM 644 CD2 LEU A 40 -0.609 22.068 -8.130 1.00 0.00 C ATOM 0 H LEU A 40 -4.416 22.186 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.872 23.887 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.800 23.288 -10.543 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.542 24.130 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.418 21.340 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.418 20.566 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.631 21.384 -11.329 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.158 22.249 -10.831 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.174 21.079 -7.984 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.179 22.779 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.107 22.384 -7.213 1.00 0.00 H new ATOM 656 N GLU A 41 -3.685 26.221 -8.074 1.00 0.00 N ATOM 657 CA GLU A 41 -4.155 27.590 -8.288 1.00 0.00 C ATOM 658 C GLU A 41 -3.128 28.372 -9.126 1.00 0.00 C ATOM 659 O GLU A 41 -2.686 29.461 -8.749 1.00 0.00 O ATOM 660 CB GLU A 41 -4.491 28.273 -6.946 1.00 0.00 C ATOM 661 CG GLU A 41 -5.618 27.553 -6.184 1.00 0.00 C ATOM 662 CD GLU A 41 -6.214 28.376 -5.020 1.00 0.00 C ATOM 663 OE1 GLU A 41 -5.579 29.325 -4.504 1.00 0.00 O ATOM 664 OE2 GLU A 41 -7.370 28.095 -4.624 1.00 0.00 O ATOM 0 H GLU A 41 -3.178 26.103 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.085 27.572 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.597 28.302 -6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.785 29.306 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.415 27.304 -6.885 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.233 26.612 -5.791 1.00 0.00 H new ATOM 671 N PHE A 42 -2.688 27.786 -10.245 1.00 0.00 N ATOM 672 CA PHE A 42 -1.772 28.424 -11.183 1.00 0.00 C ATOM 673 C PHE A 42 -2.415 29.670 -11.836 1.00 0.00 C ATOM 674 O PHE A 42 -3.648 29.779 -11.835 1.00 0.00 O ATOM 675 CB PHE A 42 -1.318 27.388 -12.225 1.00 0.00 C ATOM 676 CG PHE A 42 -2.416 26.796 -13.093 1.00 0.00 C ATOM 677 CD1 PHE A 42 -2.961 27.536 -14.161 1.00 0.00 C ATOM 678 CD2 PHE A 42 -2.837 25.470 -12.883 1.00 0.00 C ATOM 679 CE1 PHE A 42 -3.939 26.964 -14.993 1.00 0.00 C ATOM 680 CE2 PHE A 42 -3.818 24.899 -13.712 1.00 0.00 C ATOM 681 CZ PHE A 42 -4.372 25.647 -14.765 1.00 0.00 C ATOM 0 H PHE A 42 -2.964 26.844 -10.523 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.893 28.783 -10.647 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.579 27.855 -12.876 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.814 26.574 -11.704 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.626 28.547 -14.341 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -2.405 24.889 -12.082 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.357 27.537 -15.807 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.146 23.885 -13.540 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.130 25.210 -15.398 1.00 0.00 H new ATOM 691 N PRO A 43 -1.640 30.581 -12.464 1.00 0.00 N ATOM 692 CA PRO A 43 -0.178 30.662 -12.446 1.00 0.00 C ATOM 693 C PRO A 43 0.374 30.768 -11.021 1.00 0.00 C ATOM 694 O PRO A 43 -0.253 31.414 -10.177 1.00 0.00 O ATOM 695 CB PRO A 43 0.179 31.924 -13.248 1.00 0.00 C ATOM 696 CG PRO A 43 -1.028 32.140 -14.154 1.00 0.00 C ATOM 697 CD PRO A 43 -2.185 31.647 -13.291 1.00 0.00 C ATOM 0 HA PRO A 43 0.260 29.760 -12.874 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.344 32.779 -12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.092 31.784 -13.826 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.146 33.188 -14.429 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -0.945 31.574 -15.082 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -2.584 32.453 -12.676 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.005 31.281 -13.909 1.00 0.00 H new ATOM 705 N PHE A 44 1.527 30.152 -10.737 1.00 0.00 N ATOM 706 CA PHE A 44 2.175 30.283 -9.430 1.00 0.00 C ATOM 707 C PHE A 44 3.692 30.270 -9.601 1.00 0.00 C ATOM 708 O PHE A 44 4.200 29.790 -10.610 1.00 0.00 O ATOM 709 CB PHE A 44 1.673 29.210 -8.439 1.00 0.00 C ATOM 710 CG PHE A 44 2.032 27.757 -8.719 1.00 0.00 C ATOM 711 CD1 PHE A 44 3.331 27.294 -8.446 1.00 0.00 C ATOM 712 CD2 PHE A 44 1.065 26.841 -9.176 1.00 0.00 C ATOM 713 CE1 PHE A 44 3.684 25.954 -8.663 1.00 0.00 C ATOM 714 CE2 PHE A 44 1.410 25.493 -9.389 1.00 0.00 C ATOM 715 CZ PHE A 44 2.722 25.048 -9.141 1.00 0.00 C ATOM 0 H PHE A 44 2.030 29.558 -11.396 1.00 0.00 H new ATOM 0 HA PHE A 44 1.901 31.242 -8.991 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.054 29.464 -7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.587 29.282 -8.390 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.070 27.982 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.055 27.174 -9.364 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.691 25.620 -8.463 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.665 24.797 -9.744 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.988 24.016 -9.317 1.00 0.00 H new ATOM 725 N MET A 45 4.437 30.805 -8.636 1.00 0.00 N ATOM 726 CA MET A 45 5.894 30.841 -8.701 1.00 0.00 C ATOM 727 C MET A 45 6.450 29.536 -8.131 1.00 0.00 C ATOM 728 O MET A 45 5.939 29.043 -7.125 1.00 0.00 O ATOM 729 CB MET A 45 6.371 32.046 -7.877 1.00 0.00 C ATOM 730 CG MET A 45 7.889 32.221 -7.899 1.00 0.00 C ATOM 731 SD MET A 45 8.468 33.523 -6.784 1.00 0.00 S ATOM 732 CE MET A 45 10.238 33.314 -7.068 1.00 0.00 C ATOM 0 H MET A 45 4.049 31.224 -7.791 1.00 0.00 H new ATOM 0 HA MET A 45 6.243 30.942 -9.729 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.901 32.951 -8.261 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.039 31.928 -6.845 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.362 31.278 -7.624 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.208 32.453 -8.915 1.00 0.00 H new ATOM 0 HE1 MET A 45 10.796 33.876 -6.319 1.00 0.00 H new ATOM 0 HE2 MET A 45 10.496 32.257 -6.995 1.00 0.00 H new ATOM 0 HE3 MET A 45 10.493 33.682 -8.062 1.00 0.00 H new ATOM 742 N GLY A 46 7.526 28.997 -8.703 1.00 0.00 N ATOM 743 CA GLY A 46 8.196 27.837 -8.146 1.00 0.00 C ATOM 744 C GLY A 46 9.667 27.803 -8.520 1.00 0.00 C ATOM 745 O GLY A 46 10.149 28.615 -9.311 1.00 0.00 O ATOM 0 H GLY A 46 7.950 29.354 -9.559 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.097 27.846 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.709 26.930 -8.503 1.00 0.00 H new ATOM 749 N LYS A 47 10.393 26.865 -7.924 1.00 0.00 N ATOM 750 CA LYS A 47 11.755 26.552 -8.332 1.00 0.00 C ATOM 751 C LYS A 47 11.677 25.318 -9.223 1.00 0.00 C ATOM 752 O LYS A 47 11.117 24.297 -8.818 1.00 0.00 O ATOM 753 CB LYS A 47 12.649 26.282 -7.104 1.00 0.00 C ATOM 754 CG LYS A 47 14.147 26.427 -7.437 1.00 0.00 C ATOM 755 CD LYS A 47 14.604 27.898 -7.522 1.00 0.00 C ATOM 756 CE LYS A 47 14.752 28.577 -6.150 1.00 0.00 C ATOM 757 NZ LYS A 47 16.019 28.225 -5.461 1.00 0.00 N ATOM 0 H LYS A 47 10.054 26.301 -7.145 1.00 0.00 H new ATOM 0 HA LYS A 47 12.199 27.391 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.386 26.975 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.457 25.277 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.734 25.913 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.352 25.933 -8.387 1.00 0.00 H new ATOM 0 HD2 LYS A 47 15.559 27.943 -8.045 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.886 28.459 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.704 29.658 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.910 28.293 -5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.962 28.510 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.172 27.198 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.812 28.720 -5.918 1.00 0.00 H new ATOM 771 N TRP A 48 12.218 25.411 -10.432 1.00 0.00 N ATOM 772 CA TRP A 48 12.425 24.269 -11.299 1.00 0.00 C ATOM 773 C TRP A 48 13.723 23.640 -10.803 1.00 0.00 C ATOM 774 O TRP A 48 14.811 24.164 -11.050 1.00 0.00 O ATOM 775 CB TRP A 48 12.501 24.716 -12.768 1.00 0.00 C ATOM 776 CG TRP A 48 12.621 23.631 -13.799 1.00 0.00 C ATOM 777 CD1 TRP A 48 12.618 22.300 -13.563 1.00 0.00 C ATOM 778 CD2 TRP A 48 12.738 23.762 -15.251 1.00 0.00 C ATOM 779 NE1 TRP A 48 12.749 21.606 -14.742 1.00 0.00 N ATOM 780 CE2 TRP A 48 12.827 22.457 -15.823 1.00 0.00 C ATOM 781 CE3 TRP A 48 12.756 24.855 -16.146 1.00 0.00 C ATOM 782 CZ2 TRP A 48 12.937 22.250 -17.207 1.00 0.00 C ATOM 783 CZ3 TRP A 48 12.847 24.659 -17.538 1.00 0.00 C ATOM 784 CH2 TRP A 48 12.941 23.360 -18.068 1.00 0.00 C ATOM 0 H TRP A 48 12.527 26.294 -10.838 1.00 0.00 H new ATOM 0 HA TRP A 48 11.607 23.549 -11.265 1.00 0.00 H new ATOM 0 HB2 TRP A 48 11.609 25.301 -12.992 1.00 0.00 H new ATOM 0 HB3 TRP A 48 13.355 25.384 -12.876 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.526 21.847 -12.587 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.784 20.589 -14.808 1.00 0.00 H new ATOM 0 HE3 TRP A 48 12.699 25.860 -15.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 13.018 21.249 -17.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 12.845 25.511 -18.202 1.00 0.00 H new ATOM 0 HH2 TRP A 48 13.016 23.216 -19.136 1.00 0.00 H new ATOM 795 N LYS A 49 13.606 22.554 -10.045 1.00 0.00 N ATOM 796 CA LYS A 49 14.694 21.751 -9.504 1.00 0.00 C ATOM 797 C LYS A 49 15.026 20.675 -10.549 1.00 0.00 C ATOM 798 O LYS A 49 14.801 19.484 -10.324 1.00 0.00 O ATOM 799 CB LYS A 49 14.226 21.148 -8.164 1.00 0.00 C ATOM 800 CG LYS A 49 14.027 22.215 -7.072 1.00 0.00 C ATOM 801 CD LYS A 49 13.377 21.658 -5.798 1.00 0.00 C ATOM 802 CE LYS A 49 14.237 20.585 -5.114 1.00 0.00 C ATOM 803 NZ LYS A 49 13.653 20.129 -3.826 1.00 0.00 N ATOM 0 H LYS A 49 12.692 22.190 -9.776 1.00 0.00 H new ATOM 0 HA LYS A 49 15.594 22.334 -9.307 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.289 20.612 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 49 14.959 20.417 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 49 14.993 22.652 -6.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.407 23.020 -7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.199 22.475 -5.099 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.404 21.234 -6.047 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.348 19.731 -5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 49 15.236 20.983 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.269 19.406 -3.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.571 20.937 -3.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.710 19.725 -3.996 1.00 0.00 H new ATOM 817 N LYS A 50 15.457 21.107 -11.737 1.00 0.00 N ATOM 818 CA LYS A 50 15.691 20.221 -12.878 1.00 0.00 C ATOM 819 C LYS A 50 16.722 19.169 -12.477 1.00 0.00 C ATOM 820 O LYS A 50 17.810 19.543 -12.042 1.00 0.00 O ATOM 821 CB LYS A 50 16.163 21.023 -14.102 1.00 0.00 C ATOM 822 CG LYS A 50 16.031 20.169 -15.374 1.00 0.00 C ATOM 823 CD LYS A 50 16.763 20.797 -16.562 1.00 0.00 C ATOM 824 CE LYS A 50 16.503 19.964 -17.827 1.00 0.00 C ATOM 825 NZ LYS A 50 17.605 20.075 -18.813 1.00 0.00 N ATOM 0 H LYS A 50 15.654 22.088 -11.934 1.00 0.00 H new ATOM 0 HA LYS A 50 14.761 19.726 -13.157 1.00 0.00 H new ATOM 0 HB2 LYS A 50 15.570 21.932 -14.202 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.200 21.331 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 50 16.432 19.173 -15.186 1.00 0.00 H new ATOM 0 HG3 LYS A 50 14.976 20.046 -15.621 1.00 0.00 H new ATOM 0 HD2 LYS A 50 16.422 21.821 -16.712 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.833 20.844 -16.359 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.371 18.918 -17.549 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.571 20.291 -18.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 17.295 19.684 -19.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 17.863 21.075 -18.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.431 19.543 -18.472 1.00 0.00 H new ATOM 839 N LYS A 51 16.431 17.874 -12.633 1.00 0.00 N ATOM 840 CA LYS A 51 17.364 16.820 -12.218 1.00 0.00 C ATOM 841 C LYS A 51 18.385 16.429 -13.291 1.00 0.00 C ATOM 842 O LYS A 51 19.145 15.494 -13.049 1.00 0.00 O ATOM 843 CB LYS A 51 16.599 15.598 -11.675 1.00 0.00 C ATOM 844 CG LYS A 51 15.946 14.737 -12.765 1.00 0.00 C ATOM 845 CD LYS A 51 15.241 13.515 -12.160 1.00 0.00 C ATOM 846 CE LYS A 51 14.674 12.580 -13.240 1.00 0.00 C ATOM 847 NZ LYS A 51 15.734 11.922 -14.050 1.00 0.00 N ATOM 0 H LYS A 51 15.562 17.531 -13.041 1.00 0.00 H new ATOM 0 HA LYS A 51 17.961 17.243 -11.410 1.00 0.00 H new ATOM 0 HB2 LYS A 51 17.286 14.978 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.827 15.942 -10.986 1.00 0.00 H new ATOM 0 HG2 LYS A 51 15.226 15.336 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 51 16.705 14.408 -13.475 1.00 0.00 H new ATOM 0 HD2 LYS A 51 15.945 12.963 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.433 13.849 -11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.059 11.815 -12.765 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.020 13.150 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.304 11.205 -14.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.219 12.635 -14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 16.422 11.466 -13.417 1.00 0.00 H new ATOM 861 N SER A 52 18.407 17.075 -14.461 1.00 0.00 N ATOM 862 CA SER A 52 19.200 16.607 -15.595 1.00 0.00 C ATOM 863 C SER A 52 19.858 17.773 -16.330 1.00 0.00 C ATOM 864 O SER A 52 19.211 18.446 -17.137 1.00 0.00 O ATOM 865 CB SER A 52 18.310 15.795 -16.551 1.00 0.00 C ATOM 866 OG SER A 52 17.637 14.733 -15.890 1.00 0.00 O ATOM 0 H SER A 52 17.880 17.929 -14.645 1.00 0.00 H new ATOM 0 HA SER A 52 19.997 15.966 -15.218 1.00 0.00 H new ATOM 0 HB2 SER A 52 17.576 16.457 -17.011 1.00 0.00 H new ATOM 0 HB3 SER A 52 18.922 15.389 -17.357 1.00 0.00 H new ATOM 0 HG SER A 52 17.083 14.246 -16.535 1.00 0.00 H new ATOM 872 N ARG A 53 21.141 18.027 -16.060 1.00 0.00 N ATOM 873 CA ARG A 53 21.964 18.952 -16.844 1.00 0.00 C ATOM 874 C ARG A 53 23.410 18.516 -16.656 1.00 0.00 C ATOM 875 O ARG A 53 23.934 18.639 -15.551 1.00 0.00 O ATOM 876 CB ARG A 53 21.689 20.435 -16.491 1.00 0.00 C ATOM 877 CG ARG A 53 22.027 20.903 -15.064 1.00 0.00 C ATOM 878 CD ARG A 53 23.378 21.638 -14.990 1.00 0.00 C ATOM 879 NE ARG A 53 23.773 21.914 -13.601 1.00 0.00 N ATOM 880 CZ ARG A 53 24.359 21.066 -12.749 1.00 0.00 C ATOM 881 NH1 ARG A 53 24.703 19.836 -13.119 1.00 0.00 N ATOM 882 NH2 ARG A 53 24.577 21.490 -11.512 1.00 0.00 N ATOM 0 H ARG A 53 21.642 17.593 -15.285 1.00 0.00 H new ATOM 0 HA ARG A 53 21.712 18.905 -17.903 1.00 0.00 H new ATOM 0 HB2 ARG A 53 22.250 21.056 -17.190 1.00 0.00 H new ATOM 0 HB3 ARG A 53 20.631 20.632 -16.667 1.00 0.00 H new ATOM 0 HG2 ARG A 53 21.238 21.563 -14.705 1.00 0.00 H new ATOM 0 HG3 ARG A 53 22.049 20.041 -14.398 1.00 0.00 H new ATOM 0 HD2 ARG A 53 24.147 21.035 -15.474 1.00 0.00 H new ATOM 0 HD3 ARG A 53 23.313 22.575 -15.543 1.00 0.00 H new ATOM 0 HE ARG A 53 23.580 22.852 -13.250 1.00 0.00 H new ATOM 0 HH11 ARG A 53 24.521 19.520 -14.072 1.00 0.00 H new ATOM 0 HH12 ARG A 53 25.149 19.208 -12.450 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.300 22.433 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 53 25.022 20.873 -10.832 1.00 0.00 H new ATOM 896 N LYS A 54 24.032 17.950 -17.695 1.00 0.00 N ATOM 897 CA LYS A 54 25.341 17.269 -17.697 1.00 0.00 C ATOM 898 C LYS A 54 25.390 16.013 -16.812 1.00 0.00 C ATOM 899 O LYS A 54 26.028 15.036 -17.204 1.00 0.00 O ATOM 900 CB LYS A 54 26.513 18.221 -17.367 1.00 0.00 C ATOM 901 CG LYS A 54 26.861 19.262 -18.446 1.00 0.00 C ATOM 902 CD LYS A 54 25.847 20.410 -18.591 1.00 0.00 C ATOM 903 CE LYS A 54 26.386 21.561 -19.458 1.00 0.00 C ATOM 904 NZ LYS A 54 26.580 21.181 -20.881 1.00 0.00 N ATOM 0 H LYS A 54 23.609 17.953 -18.623 1.00 0.00 H new ATOM 0 HA LYS A 54 25.467 16.930 -18.725 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.277 18.749 -16.443 1.00 0.00 H new ATOM 0 HB3 LYS A 54 27.400 17.619 -17.172 1.00 0.00 H new ATOM 0 HG2 LYS A 54 27.838 19.687 -18.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 26.951 18.753 -19.406 1.00 0.00 H new ATOM 0 HD2 LYS A 54 24.928 20.026 -19.033 1.00 0.00 H new ATOM 0 HD3 LYS A 54 25.591 20.792 -17.603 1.00 0.00 H new ATOM 0 HE2 LYS A 54 25.695 22.402 -19.404 1.00 0.00 H new ATOM 0 HE3 LYS A 54 27.336 21.903 -19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 26.944 21.998 -21.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 27.261 20.397 -20.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 25.671 20.881 -21.287 1.00 0.00 H new ATOM 918 N THR A 55 24.701 15.993 -15.676 1.00 0.00 N ATOM 919 CA THR A 55 24.648 14.916 -14.701 1.00 0.00 C ATOM 920 C THR A 55 23.226 14.861 -14.120 1.00 0.00 C ATOM 921 O THR A 55 22.438 15.797 -14.299 1.00 0.00 O ATOM 922 CB THR A 55 25.720 15.163 -13.607 1.00 0.00 C ATOM 923 OG1 THR A 55 25.884 16.538 -13.298 1.00 0.00 O ATOM 924 CG2 THR A 55 27.097 14.645 -14.040 1.00 0.00 C ATOM 0 H THR A 55 24.125 16.787 -15.395 1.00 0.00 H new ATOM 0 HA THR A 55 24.868 13.953 -15.161 1.00 0.00 H new ATOM 0 HB THR A 55 25.353 14.626 -12.732 1.00 0.00 H new ATOM 0 HG1 THR A 55 25.105 16.855 -12.795 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.822 14.835 -13.249 1.00 0.00 H new ATOM 0 HG22 THR A 55 27.039 13.573 -14.230 1.00 0.00 H new ATOM 0 HG23 THR A 55 27.409 15.158 -14.950 1.00 0.00 H new ATOM 932 N SER A 56 22.909 13.781 -13.399 1.00 0.00 N ATOM 933 CA SER A 56 21.641 13.551 -12.696 1.00 0.00 C ATOM 934 C SER A 56 21.471 14.436 -11.440 1.00 0.00 C ATOM 935 O SER A 56 20.642 14.152 -10.571 1.00 0.00 O ATOM 936 CB SER A 56 21.563 12.062 -12.324 1.00 0.00 C ATOM 937 OG SER A 56 21.915 11.234 -13.427 1.00 0.00 O ATOM 0 H SER A 56 23.561 13.005 -13.284 1.00 0.00 H new ATOM 0 HA SER A 56 20.826 13.829 -13.364 1.00 0.00 H new ATOM 0 HB2 SER A 56 22.230 11.859 -11.487 1.00 0.00 H new ATOM 0 HB3 SER A 56 20.553 11.820 -11.993 1.00 0.00 H new ATOM 0 HG SER A 56 21.858 10.293 -13.161 1.00 0.00 H new ATOM 943 N THR A 57 22.307 15.461 -11.287 1.00 0.00 N ATOM 944 CA THR A 57 22.312 16.404 -10.183 1.00 0.00 C ATOM 945 C THR A 57 21.112 17.355 -10.298 1.00 0.00 C ATOM 946 O THR A 57 20.740 17.758 -11.404 1.00 0.00 O ATOM 947 CB THR A 57 23.642 17.182 -10.249 1.00 0.00 C ATOM 948 OG1 THR A 57 23.971 17.498 -11.596 1.00 0.00 O ATOM 949 CG2 THR A 57 24.806 16.352 -9.704 1.00 0.00 C ATOM 0 H THR A 57 23.037 15.662 -11.970 1.00 0.00 H new ATOM 0 HA THR A 57 22.228 15.887 -9.227 1.00 0.00 H new ATOM 0 HB THR A 57 23.500 18.082 -9.651 1.00 0.00 H new ATOM 0 HG1 THR A 57 23.260 18.049 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 57 25.727 16.932 -9.766 1.00 0.00 H new ATOM 0 HG22 THR A 57 24.611 16.091 -8.664 1.00 0.00 H new ATOM 0 HG23 THR A 57 24.910 15.441 -10.293 1.00 0.00 H new ATOM 957 N ILE A 58 20.524 17.747 -9.162 1.00 0.00 N ATOM 958 CA ILE A 58 19.530 18.815 -9.135 1.00 0.00 C ATOM 959 C ILE A 58 20.257 20.115 -9.504 1.00 0.00 C ATOM 960 O ILE A 58 21.368 20.378 -9.035 1.00 0.00 O ATOM 961 CB ILE A 58 18.835 18.905 -7.753 1.00 0.00 C ATOM 962 CG1 ILE A 58 18.154 17.581 -7.332 1.00 0.00 C ATOM 963 CG2 ILE A 58 17.808 20.055 -7.703 1.00 0.00 C ATOM 964 CD1 ILE A 58 16.979 17.130 -8.210 1.00 0.00 C ATOM 0 H ILE A 58 20.723 17.337 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 58 18.731 18.619 -9.850 1.00 0.00 H new ATOM 0 HB ILE A 58 19.633 19.109 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.906 16.792 -7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 58 17.799 17.686 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 58 17.343 20.085 -6.718 1.00 0.00 H new ATOM 0 HG22 ILE A 58 18.313 21.002 -7.895 1.00 0.00 H new ATOM 0 HG23 ILE A 58 17.042 19.892 -8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 58 16.576 16.193 -7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.200 17.892 -8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 58 17.325 16.984 -9.233 1.00 0.00 H new ATOM 976 N GLU A 59 19.599 20.939 -10.307 1.00 0.00 N ATOM 977 CA GLU A 59 19.978 22.301 -10.622 1.00 0.00 C ATOM 978 C GLU A 59 18.708 23.128 -10.440 1.00 0.00 C ATOM 979 O GLU A 59 17.604 22.613 -10.623 1.00 0.00 O ATOM 980 CB GLU A 59 20.541 22.366 -12.048 1.00 0.00 C ATOM 981 CG GLU A 59 21.032 23.768 -12.435 1.00 0.00 C ATOM 982 CD GLU A 59 22.101 24.290 -11.464 1.00 0.00 C ATOM 983 OE1 GLU A 59 23.292 23.949 -11.651 1.00 0.00 O ATOM 984 OE2 GLU A 59 21.742 25.008 -10.504 1.00 0.00 O ATOM 0 H GLU A 59 18.741 20.656 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 59 20.768 22.688 -9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 59 21.366 21.660 -12.140 1.00 0.00 H new ATOM 0 HB3 GLU A 59 19.771 22.049 -12.752 1.00 0.00 H new ATOM 0 HG2 GLU A 59 21.441 23.743 -13.445 1.00 0.00 H new ATOM 0 HG3 GLU A 59 20.188 24.457 -12.449 1.00 0.00 H new ATOM 991 N GLU A 60 18.848 24.396 -10.067 1.00 0.00 N ATOM 992 CA GLU A 60 17.726 25.221 -9.646 1.00 0.00 C ATOM 993 C GLU A 60 17.617 26.453 -10.537 1.00 0.00 C ATOM 994 O GLU A 60 18.579 27.214 -10.678 1.00 0.00 O ATOM 995 CB GLU A 60 17.911 25.617 -8.174 1.00 0.00 C ATOM 996 CG GLU A 60 17.697 24.428 -7.230 1.00 0.00 C ATOM 997 CD GLU A 60 17.827 24.845 -5.755 1.00 0.00 C ATOM 998 OE1 GLU A 60 16.999 25.654 -5.278 1.00 0.00 O ATOM 999 OE2 GLU A 60 18.754 24.365 -5.063 1.00 0.00 O ATOM 0 H GLU A 60 19.746 24.880 -10.049 1.00 0.00 H new ATOM 0 HA GLU A 60 16.798 24.657 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 60 18.914 26.019 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.209 26.412 -7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.710 24.000 -7.402 1.00 0.00 H new ATOM 0 HG3 GLU A 60 18.426 23.649 -7.454 1.00 0.00 H new ATOM 1006 N LYS A 61 16.424 26.674 -11.094 1.00 0.00 N ATOM 1007 CA LYS A 61 16.060 27.898 -11.803 1.00 0.00 C ATOM 1008 C LYS A 61 14.762 28.401 -11.194 1.00 0.00 C ATOM 1009 O LYS A 61 13.875 27.602 -10.896 1.00 0.00 O ATOM 1010 CB LYS A 61 15.870 27.619 -13.303 1.00 0.00 C ATOM 1011 CG LYS A 61 17.195 27.283 -14.005 1.00 0.00 C ATOM 1012 CD LYS A 61 17.022 27.049 -15.513 1.00 0.00 C ATOM 1013 CE LYS A 61 16.208 25.779 -15.814 1.00 0.00 C ATOM 1014 NZ LYS A 61 16.092 25.522 -17.273 1.00 0.00 N ATOM 0 H LYS A 61 15.668 25.990 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 61 16.849 28.644 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 61 15.173 26.791 -13.431 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.420 28.491 -13.778 1.00 0.00 H new ATOM 0 HG2 LYS A 61 17.903 28.097 -13.846 1.00 0.00 H new ATOM 0 HG3 LYS A 61 17.627 26.392 -13.550 1.00 0.00 H new ATOM 0 HD2 LYS A 61 16.525 27.911 -15.958 1.00 0.00 H new ATOM 0 HD3 LYS A 61 18.003 26.969 -15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 61 16.681 24.923 -15.332 1.00 0.00 H new ATOM 0 HE3 LYS A 61 15.212 25.877 -15.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.114 25.254 -17.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 16.347 26.383 -17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.734 24.749 -17.542 1.00 0.00 H new ATOM 1028 N THR A 62 14.636 29.703 -10.998 1.00 0.00 N ATOM 1029 CA THR A 62 13.437 30.297 -10.427 1.00 0.00 C ATOM 1030 C THR A 62 12.478 30.596 -11.581 1.00 0.00 C ATOM 1031 O THR A 62 12.877 31.217 -12.568 1.00 0.00 O ATOM 1032 CB THR A 62 13.849 31.537 -9.621 1.00 0.00 C ATOM 1033 OG1 THR A 62 14.916 31.200 -8.748 1.00 0.00 O ATOM 1034 CG2 THR A 62 12.690 32.042 -8.768 1.00 0.00 C ATOM 0 H THR A 62 15.363 30.380 -11.230 1.00 0.00 H new ATOM 0 HA THR A 62 12.918 29.634 -9.734 1.00 0.00 H new ATOM 0 HB THR A 62 14.149 32.312 -10.326 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.181 31.991 -8.234 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.007 32.921 -8.207 1.00 0.00 H new ATOM 0 HG22 THR A 62 11.852 32.306 -9.413 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.381 31.260 -8.074 1.00 0.00 H new ATOM 1042 N VAL A 63 11.227 30.139 -11.491 1.00 0.00 N ATOM 1043 CA VAL A 63 10.296 30.172 -12.607 1.00 0.00 C ATOM 1044 C VAL A 63 8.895 30.561 -12.137 1.00 0.00 C ATOM 1045 O VAL A 63 8.535 30.418 -10.969 1.00 0.00 O ATOM 1046 CB VAL A 63 10.277 28.813 -13.354 1.00 0.00 C ATOM 1047 CG1 VAL A 63 11.652 28.397 -13.902 1.00 0.00 C ATOM 1048 CG2 VAL A 63 9.747 27.646 -12.505 1.00 0.00 C ATOM 0 H VAL A 63 10.836 29.736 -10.639 1.00 0.00 H new ATOM 0 HA VAL A 63 10.637 30.933 -13.308 1.00 0.00 H new ATOM 0 HB VAL A 63 9.592 29.000 -14.181 1.00 0.00 H new ATOM 0 HG11 VAL A 63 11.565 27.438 -14.412 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.007 29.151 -14.605 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.360 28.307 -13.078 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.764 26.730 -13.095 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.376 27.522 -11.624 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.724 27.858 -12.193 1.00 0.00 H new ATOM 1058 N GLU A 64 8.091 31.042 -13.075 1.00 0.00 N ATOM 1059 CA GLU A 64 6.662 31.256 -12.899 1.00 0.00 C ATOM 1060 C GLU A 64 5.994 30.165 -13.728 1.00 0.00 C ATOM 1061 O GLU A 64 6.183 30.122 -14.942 1.00 0.00 O ATOM 1062 CB GLU A 64 6.256 32.669 -13.346 1.00 0.00 C ATOM 1063 CG GLU A 64 4.758 32.913 -13.115 1.00 0.00 C ATOM 1064 CD GLU A 64 4.377 34.383 -13.366 1.00 0.00 C ATOM 1065 OE1 GLU A 64 4.195 34.785 -14.538 1.00 0.00 O ATOM 1066 OE2 GLU A 64 4.240 35.153 -12.388 1.00 0.00 O ATOM 0 H GLU A 64 8.424 31.301 -14.004 1.00 0.00 H new ATOM 0 HA GLU A 64 6.357 31.194 -11.854 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.837 33.409 -12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.490 32.801 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.178 32.269 -13.775 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.498 32.639 -12.093 1.00 0.00 H new ATOM 1073 N VAL A 65 5.278 29.243 -13.091 1.00 0.00 N ATOM 1074 CA VAL A 65 4.486 28.253 -13.806 1.00 0.00 C ATOM 1075 C VAL A 65 3.251 28.972 -14.332 1.00 0.00 C ATOM 1076 O VAL A 65 2.578 29.676 -13.575 1.00 0.00 O ATOM 1077 CB VAL A 65 4.157 26.991 -12.971 1.00 0.00 C ATOM 1078 CG1 VAL A 65 5.311 26.575 -12.040 1.00 0.00 C ATOM 1079 CG2 VAL A 65 2.845 27.002 -12.180 1.00 0.00 C ATOM 0 H VAL A 65 5.232 29.163 -12.075 1.00 0.00 H new ATOM 0 HA VAL A 65 5.066 27.845 -14.634 1.00 0.00 H new ATOM 0 HB VAL A 65 4.015 26.247 -13.755 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.024 25.685 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.198 26.359 -12.635 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.529 27.386 -11.345 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.737 26.061 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.856 27.828 -11.469 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.007 27.125 -12.866 1.00 0.00 H new ATOM 1089 N LEU A 66 2.947 28.806 -15.616 1.00 0.00 N ATOM 1090 CA LEU A 66 1.776 29.418 -16.229 1.00 0.00 C ATOM 1091 C LEU A 66 0.562 28.504 -16.067 1.00 0.00 C ATOM 1092 O LEU A 66 -0.568 28.988 -16.067 1.00 0.00 O ATOM 1093 CB LEU A 66 2.017 29.729 -17.718 1.00 0.00 C ATOM 1094 CG LEU A 66 3.216 30.643 -18.061 1.00 0.00 C ATOM 1095 CD1 LEU A 66 3.393 31.818 -17.089 1.00 0.00 C ATOM 1096 CD2 LEU A 66 4.531 29.862 -18.146 1.00 0.00 C ATOM 0 H LEU A 66 3.505 28.244 -16.259 1.00 0.00 H new ATOM 0 HA LEU A 66 1.584 30.362 -15.720 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.151 28.784 -18.244 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.114 30.191 -18.118 1.00 0.00 H new ATOM 0 HG LEU A 66 2.973 31.054 -19.041 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.253 32.415 -17.393 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.497 32.439 -17.102 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.555 31.435 -16.081 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.345 30.545 -18.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.733 29.384 -17.188 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.452 29.101 -18.922 1.00 0.00 H new ATOM 1108 N GLY A 67 0.783 27.196 -15.908 1.00 0.00 N ATOM 1109 CA GLY A 67 -0.249 26.203 -15.719 1.00 0.00 C ATOM 1110 C GLY A 67 0.307 24.831 -16.053 1.00 0.00 C ATOM 1111 O GLY A 67 1.478 24.686 -16.415 1.00 0.00 O ATOM 0 H GLY A 67 1.722 26.797 -15.909 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -0.604 26.223 -14.689 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.105 26.426 -16.356 1.00 0.00 H new ATOM 1115 N MET A 68 -0.542 23.819 -15.922 1.00 0.00 N ATOM 1116 CA MET A 68 -0.241 22.476 -16.404 1.00 0.00 C ATOM 1117 C MET A 68 -0.014 22.527 -17.917 1.00 0.00 C ATOM 1118 O MET A 68 -0.601 23.358 -18.619 1.00 0.00 O ATOM 1119 CB MET A 68 -1.384 21.505 -16.065 1.00 0.00 C ATOM 1120 CG MET A 68 -1.551 21.246 -14.561 1.00 0.00 C ATOM 1121 SD MET A 68 -0.236 20.262 -13.783 1.00 0.00 S ATOM 1122 CE MET A 68 -0.611 18.621 -14.457 1.00 0.00 C ATOM 0 H MET A 68 -1.457 23.905 -15.480 1.00 0.00 H new ATOM 0 HA MET A 68 0.661 22.113 -15.912 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.317 21.905 -16.461 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.204 20.556 -16.570 1.00 0.00 H new ATOM 0 HG2 MET A 68 -1.612 22.207 -14.050 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.503 20.739 -14.401 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.241 17.855 -13.776 1.00 0.00 H new ATOM 0 HE2 MET A 68 -1.689 18.513 -14.574 1.00 0.00 H new ATOM 0 HE3 MET A 68 -0.128 18.507 -15.428 1.00 0.00 H new ATOM 1132 N ALA A 69 0.832 21.625 -18.418 1.00 0.00 N ATOM 1133 CA ALA A 69 1.014 21.425 -19.849 1.00 0.00 C ATOM 1134 C ALA A 69 -0.296 20.917 -20.487 1.00 0.00 C ATOM 1135 O ALA A 69 -1.201 20.492 -19.760 1.00 0.00 O ATOM 1136 CB ALA A 69 2.169 20.442 -20.059 1.00 0.00 C ATOM 0 H ALA A 69 1.409 21.014 -17.839 1.00 0.00 H new ATOM 0 HA ALA A 69 1.262 22.367 -20.337 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.320 20.280 -21.126 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.080 20.852 -19.622 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.931 19.493 -19.578 1.00 0.00 H new ATOM 1142 N PRO A 70 -0.418 20.936 -21.828 1.00 0.00 N ATOM 1143 CA PRO A 70 -1.541 20.324 -22.527 1.00 0.00 C ATOM 1144 C PRO A 70 -1.779 18.875 -22.095 1.00 0.00 C ATOM 1145 O PRO A 70 -0.842 18.154 -21.733 1.00 0.00 O ATOM 1146 CB PRO A 70 -1.197 20.407 -24.018 1.00 0.00 C ATOM 1147 CG PRO A 70 -0.286 21.629 -24.098 1.00 0.00 C ATOM 1148 CD PRO A 70 0.491 21.552 -22.786 1.00 0.00 C ATOM 0 HA PRO A 70 -2.469 20.846 -22.294 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.693 19.505 -24.366 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.090 20.529 -24.631 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.375 21.586 -24.964 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -0.856 22.555 -24.178 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.399 20.960 -22.902 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.798 22.544 -22.453 1.00 0.00 H new ATOM 1156 N ASP A 71 -3.025 18.419 -22.225 1.00 0.00 N ATOM 1157 CA ASP A 71 -3.400 17.029 -21.975 1.00 0.00 C ATOM 1158 C ASP A 71 -2.580 16.064 -22.834 1.00 0.00 C ATOM 1159 O ASP A 71 -2.274 14.966 -22.385 1.00 0.00 O ATOM 1160 CB ASP A 71 -4.900 16.801 -22.210 1.00 0.00 C ATOM 1161 CG ASP A 71 -5.268 16.631 -23.694 1.00 0.00 C ATOM 1162 OD1 ASP A 71 -5.284 17.643 -24.430 1.00 0.00 O ATOM 1163 OD2 ASP A 71 -5.580 15.498 -24.124 1.00 0.00 O ATOM 0 H ASP A 71 -3.807 19.009 -22.509 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.182 16.825 -20.927 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -5.215 15.913 -21.661 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.457 17.644 -21.800 1.00 0.00 H new ATOM 1168 N ASP A 72 -2.170 16.488 -24.034 1.00 0.00 N ATOM 1169 CA ASP A 72 -1.378 15.673 -24.953 1.00 0.00 C ATOM 1170 C ASP A 72 -0.001 15.337 -24.375 1.00 0.00 C ATOM 1171 O ASP A 72 0.535 14.259 -24.630 1.00 0.00 O ATOM 1172 CB ASP A 72 -1.216 16.401 -26.290 1.00 0.00 C ATOM 1173 CG ASP A 72 -0.381 15.570 -27.278 1.00 0.00 C ATOM 1174 OD1 ASP A 72 -0.891 14.553 -27.801 1.00 0.00 O ATOM 1175 OD2 ASP A 72 0.772 15.954 -27.577 1.00 0.00 O ATOM 0 H ASP A 72 -2.383 17.418 -24.396 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.912 14.735 -25.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.198 16.602 -26.719 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.736 17.366 -26.126 1.00 0.00 H new ATOM 1180 N GLU A 73 0.557 16.236 -23.559 1.00 0.00 N ATOM 1181 CA GLU A 73 1.772 15.959 -22.804 1.00 0.00 C ATOM 1182 C GLU A 73 1.400 15.115 -21.586 1.00 0.00 C ATOM 1183 O GLU A 73 2.008 14.072 -21.334 1.00 0.00 O ATOM 1184 CB GLU A 73 2.453 17.265 -22.353 1.00 0.00 C ATOM 1185 CG GLU A 73 2.899 18.182 -23.504 1.00 0.00 C ATOM 1186 CD GLU A 73 3.904 17.537 -24.480 1.00 0.00 C ATOM 1187 OE1 GLU A 73 4.632 16.592 -24.098 1.00 0.00 O ATOM 1188 OE2 GLU A 73 3.994 17.998 -25.641 1.00 0.00 O ATOM 0 H GLU A 73 0.178 17.171 -23.407 1.00 0.00 H new ATOM 0 HA GLU A 73 2.476 15.421 -23.438 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.765 17.816 -21.712 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.323 17.015 -21.746 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.018 18.496 -24.064 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.347 19.082 -23.083 1.00 0.00 H new ATOM 1195 N CYS A 74 0.358 15.532 -20.861 1.00 0.00 N ATOM 1196 CA CYS A 74 -0.007 14.980 -19.562 1.00 0.00 C ATOM 1197 C CYS A 74 -0.603 13.565 -19.614 1.00 0.00 C ATOM 1198 O CYS A 74 -1.121 13.088 -18.608 1.00 0.00 O ATOM 1199 CB CYS A 74 -0.913 15.957 -18.807 1.00 0.00 C ATOM 1200 SG CYS A 74 -0.063 17.547 -18.586 1.00 0.00 S ATOM 0 H CYS A 74 -0.265 16.278 -21.171 1.00 0.00 H new ATOM 0 HA CYS A 74 0.925 14.858 -19.010 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.842 16.105 -19.358 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.182 15.541 -17.836 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.764 18.494 -19.136 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.552 12.892 -20.765 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.872 11.472 -20.914 1.00 0.00 C ATOM 1208 C LEU A 75 0.314 10.624 -20.442 1.00 0.00 C ATOM 1209 O LEU A 75 0.135 9.486 -20.004 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.149 11.153 -22.397 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.549 11.583 -22.873 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -2.592 11.671 -24.402 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -3.632 10.609 -22.400 1.00 0.00 C ATOM 0 H LEU A 75 -0.279 13.333 -21.644 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.754 11.244 -20.315 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.398 11.649 -23.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.035 10.081 -22.556 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.748 12.563 -22.439 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.589 11.976 -24.721 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.861 12.403 -24.745 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.357 10.696 -24.829 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.605 10.947 -22.756 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.426 9.615 -22.796 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.637 10.571 -21.311 1.00 0.00 H new ATOM 1225 N LYS A 76 1.532 11.163 -20.557 1.00 0.00 N ATOM 1226 CA LYS A 76 2.766 10.431 -20.294 1.00 0.00 C ATOM 1227 C LYS A 76 3.105 10.507 -18.813 1.00 0.00 C ATOM 1228 O LYS A 76 3.348 9.476 -18.185 1.00 0.00 O ATOM 1229 CB LYS A 76 3.916 11.037 -21.118 1.00 0.00 C ATOM 1230 CG LYS A 76 3.716 10.900 -22.638 1.00 0.00 C ATOM 1231 CD LYS A 76 4.771 11.683 -23.433 1.00 0.00 C ATOM 1232 CE LYS A 76 4.549 13.199 -23.307 1.00 0.00 C ATOM 1233 NZ LYS A 76 5.523 13.984 -24.103 1.00 0.00 N ATOM 0 H LYS A 76 1.686 12.131 -20.839 1.00 0.00 H new ATOM 0 HA LYS A 76 2.629 9.388 -20.579 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.017 12.093 -20.866 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.850 10.551 -20.837 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.762 9.847 -22.916 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.722 11.258 -22.906 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.767 11.427 -23.071 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.729 11.393 -24.483 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.538 13.443 -23.633 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.625 13.488 -22.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.205 14.972 -24.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.455 13.949 -23.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.593 13.582 -25.060 1.00 0.00 H new ATOM 1247 N ASP A 77 3.103 11.722 -18.268 1.00 0.00 N ATOM 1248 CA ASP A 77 3.599 12.073 -16.938 1.00 0.00 C ATOM 1249 C ASP A 77 3.087 13.484 -16.619 1.00 0.00 C ATOM 1250 O ASP A 77 2.542 14.134 -17.514 1.00 0.00 O ATOM 1251 CB ASP A 77 5.139 12.056 -16.977 1.00 0.00 C ATOM 1252 CG ASP A 77 5.794 12.327 -15.617 1.00 0.00 C ATOM 1253 OD1 ASP A 77 5.179 12.002 -14.581 1.00 0.00 O ATOM 1254 OD2 ASP A 77 6.949 12.810 -15.596 1.00 0.00 O ATOM 0 H ASP A 77 2.736 12.531 -18.769 1.00 0.00 H new ATOM 0 HA ASP A 77 3.257 11.373 -16.176 1.00 0.00 H new ATOM 0 HB2 ASP A 77 5.473 11.086 -17.344 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.484 12.803 -17.692 1.00 0.00 H new ATOM 1259 N MET A 78 3.219 13.984 -15.389 1.00 0.00 N ATOM 1260 CA MET A 78 2.771 15.343 -15.066 1.00 0.00 C ATOM 1261 C MET A 78 3.801 16.391 -15.506 1.00 0.00 C ATOM 1262 O MET A 78 4.978 16.298 -15.149 1.00 0.00 O ATOM 1263 CB MET A 78 2.502 15.449 -13.563 1.00 0.00 C ATOM 1264 CG MET A 78 1.124 14.923 -13.148 1.00 0.00 C ATOM 1265 SD MET A 78 0.523 13.358 -13.845 1.00 0.00 S ATOM 1266 CE MET A 78 -0.418 13.896 -15.301 1.00 0.00 C ATOM 0 H MET A 78 3.628 13.475 -14.606 1.00 0.00 H new ATOM 0 HA MET A 78 1.849 15.543 -15.612 1.00 0.00 H new ATOM 0 HB2 MET A 78 3.271 14.894 -13.025 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.590 16.492 -13.259 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.126 14.819 -12.063 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.392 15.693 -13.393 1.00 0.00 H new ATOM 0 HE1 MET A 78 -1.216 13.182 -15.503 1.00 0.00 H new ATOM 0 HE2 MET A 78 -0.850 14.879 -15.112 1.00 0.00 H new ATOM 0 HE3 MET A 78 0.246 13.951 -16.164 1.00 0.00 H new ATOM 1276 N TYR A 79 3.344 17.446 -16.196 1.00 0.00 N ATOM 1277 CA TYR A 79 4.182 18.546 -16.674 1.00 0.00 C ATOM 1278 C TYR A 79 3.461 19.886 -16.512 1.00 0.00 C ATOM 1279 O TYR A 79 2.232 19.944 -16.440 1.00 0.00 O ATOM 1280 CB TYR A 79 4.545 18.379 -18.160 1.00 0.00 C ATOM 1281 CG TYR A 79 5.125 17.057 -18.617 1.00 0.00 C ATOM 1282 CD1 TYR A 79 6.518 16.848 -18.657 1.00 0.00 C ATOM 1283 CD2 TYR A 79 4.257 16.071 -19.112 1.00 0.00 C ATOM 1284 CE1 TYR A 79 7.038 15.652 -19.191 1.00 0.00 C ATOM 1285 CE2 TYR A 79 4.768 14.878 -19.639 1.00 0.00 C ATOM 1286 CZ TYR A 79 6.160 14.659 -19.690 1.00 0.00 C ATOM 1287 OH TYR A 79 6.619 13.494 -20.229 1.00 0.00 O ATOM 0 H TYR A 79 2.360 17.557 -16.441 1.00 0.00 H new ATOM 0 HA TYR A 79 5.092 18.529 -16.074 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.644 18.566 -18.744 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.259 19.161 -18.417 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.188 17.605 -18.278 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.190 16.233 -19.086 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.106 15.493 -19.220 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.092 14.121 -20.008 1.00 0.00 H new ATOM 0 HH TYR A 79 5.961 12.783 -20.081 1.00 0.00 H new ATOM 1297 N VAL A 80 4.241 20.963 -16.520 1.00 0.00 N ATOM 1298 CA VAL A 80 3.802 22.338 -16.336 1.00 0.00 C ATOM 1299 C VAL A 80 4.569 23.212 -17.322 1.00 0.00 C ATOM 1300 O VAL A 80 5.744 22.961 -17.599 1.00 0.00 O ATOM 1301 CB VAL A 80 4.026 22.803 -14.877 1.00 0.00 C ATOM 1302 CG1 VAL A 80 2.882 22.350 -13.963 1.00 0.00 C ATOM 1303 CG2 VAL A 80 5.354 22.321 -14.264 1.00 0.00 C ATOM 0 H VAL A 80 5.249 20.894 -16.663 1.00 0.00 H new ATOM 0 HA VAL A 80 2.732 22.418 -16.527 1.00 0.00 H new ATOM 0 HB VAL A 80 4.060 23.891 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.071 22.693 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.942 22.772 -14.320 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.818 21.262 -13.973 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.437 22.688 -13.241 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.379 21.231 -14.262 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.187 22.702 -14.855 1.00 0.00 H new ATOM 1313 N GLU A 81 3.902 24.226 -17.863 1.00 0.00 N ATOM 1314 CA GLU A 81 4.551 25.269 -18.648 1.00 0.00 C ATOM 1315 C GLU A 81 5.138 26.270 -17.655 1.00 0.00 C ATOM 1316 O GLU A 81 4.454 26.648 -16.699 1.00 0.00 O ATOM 1317 CB GLU A 81 3.544 25.964 -19.574 1.00 0.00 C ATOM 1318 CG GLU A 81 3.052 25.031 -20.687 1.00 0.00 C ATOM 1319 CD GLU A 81 2.151 25.773 -21.690 1.00 0.00 C ATOM 1320 OE1 GLU A 81 0.941 25.946 -21.421 1.00 0.00 O ATOM 1321 OE2 GLU A 81 2.640 26.174 -22.771 1.00 0.00 O ATOM 0 H GLU A 81 2.894 24.348 -17.769 1.00 0.00 H new ATOM 0 HA GLU A 81 5.328 24.843 -19.282 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.693 26.311 -18.989 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.007 26.845 -20.017 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.908 24.606 -21.211 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.501 24.199 -20.248 1.00 0.00 H new ATOM 1328 N VAL A 82 6.378 26.711 -17.866 1.00 0.00 N ATOM 1329 CA VAL A 82 7.096 27.562 -16.917 1.00 0.00 C ATOM 1330 C VAL A 82 7.855 28.663 -17.663 1.00 0.00 C ATOM 1331 O VAL A 82 8.352 28.431 -18.763 1.00 0.00 O ATOM 1332 CB VAL A 82 8.005 26.712 -15.995 1.00 0.00 C ATOM 1333 CG1 VAL A 82 7.253 25.563 -15.303 1.00 0.00 C ATOM 1334 CG2 VAL A 82 9.233 26.108 -16.695 1.00 0.00 C ATOM 0 H VAL A 82 6.915 26.487 -18.704 1.00 0.00 H new ATOM 0 HA VAL A 82 6.380 28.060 -16.263 1.00 0.00 H new ATOM 0 HB VAL A 82 8.345 27.438 -15.257 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.944 25.005 -14.671 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.449 25.971 -14.690 1.00 0.00 H new ATOM 0 HG13 VAL A 82 6.832 24.898 -16.057 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.813 25.529 -15.976 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.906 25.457 -17.506 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.852 26.909 -17.100 1.00 0.00 H new ATOM 1344 N ALA A 83 7.972 29.851 -17.071 1.00 0.00 N ATOM 1345 CA ALA A 83 8.685 30.996 -17.620 1.00 0.00 C ATOM 1346 C ALA A 83 9.831 31.317 -16.673 1.00 0.00 C ATOM 1347 O ALA A 83 9.644 31.356 -15.456 1.00 0.00 O ATOM 1348 CB ALA A 83 7.743 32.198 -17.752 1.00 0.00 C ATOM 0 H ALA A 83 7.555 30.046 -16.161 1.00 0.00 H new ATOM 0 HA ALA A 83 9.067 30.768 -18.615 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.291 33.046 -18.164 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.917 31.942 -18.416 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.350 32.462 -16.770 1.00 0.00 H new ATOM 1354 N ASP A 84 11.023 31.523 -17.222 1.00 0.00 N ATOM 1355 CA ASP A 84 12.252 31.680 -16.453 1.00 0.00 C ATOM 1356 C ASP A 84 12.380 33.127 -15.984 1.00 0.00 C ATOM 1357 O ASP A 84 12.877 33.987 -16.719 1.00 0.00 O ATOM 1358 CB ASP A 84 13.440 31.228 -17.314 1.00 0.00 C ATOM 1359 CG ASP A 84 14.807 31.316 -16.615 1.00 0.00 C ATOM 1360 OD1 ASP A 84 14.886 31.628 -15.408 1.00 0.00 O ATOM 1361 OD2 ASP A 84 15.822 31.029 -17.289 1.00 0.00 O ATOM 0 H ASP A 84 11.165 31.587 -18.230 1.00 0.00 H new ATOM 0 HA ASP A 84 12.235 31.056 -15.560 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.273 30.198 -17.628 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.469 31.836 -18.218 1.00 0.00 H new ATOM 1366 N ILE A 85 11.852 33.404 -14.790 1.00 0.00 N ATOM 1367 CA ILE A 85 11.878 34.716 -14.144 1.00 0.00 C ATOM 1368 C ILE A 85 13.321 35.245 -14.143 1.00 0.00 C ATOM 1369 O ILE A 85 14.208 34.669 -13.511 1.00 0.00 O ATOM 1370 CB ILE A 85 11.295 34.658 -12.709 1.00 0.00 C ATOM 1371 CG1 ILE A 85 9.877 34.045 -12.654 1.00 0.00 C ATOM 1372 CG2 ILE A 85 11.255 36.070 -12.092 1.00 0.00 C ATOM 1373 CD1 ILE A 85 9.375 33.812 -11.220 1.00 0.00 C ATOM 0 H ILE A 85 11.379 32.696 -14.228 1.00 0.00 H new ATOM 0 HA ILE A 85 11.245 35.402 -14.707 1.00 0.00 H new ATOM 0 HB ILE A 85 11.957 34.008 -12.137 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.182 34.705 -13.173 1.00 0.00 H new ATOM 0 HG13 ILE A 85 9.877 33.097 -13.191 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.843 36.015 -11.084 1.00 0.00 H new ATOM 0 HG22 ILE A 85 12.265 36.477 -12.050 1.00 0.00 H new ATOM 0 HG23 ILE A 85 10.628 36.717 -12.705 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.375 33.380 -11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 85 10.050 33.128 -10.705 1.00 0.00 H new ATOM 0 HD13 ILE A 85 9.344 34.762 -10.686 1.00 0.00 H new ATOM 1385 N GLY A 86 13.552 36.353 -14.849 1.00 0.00 N ATOM 1386 CA GLY A 86 14.814 37.086 -14.867 1.00 0.00 C ATOM 1387 C GLY A 86 15.826 36.490 -15.846 1.00 0.00 C ATOM 1388 O GLY A 86 16.641 37.227 -16.405 1.00 0.00 O ATOM 0 H GLY A 86 12.840 36.777 -15.443 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.623 38.125 -15.136 1.00 0.00 H new ATOM 0 HA3 GLY A 86 15.242 37.089 -13.865 1.00 0.00 H new ATOM 1392 N GLY A 87 15.751 35.182 -16.103 1.00 0.00 N ATOM 1393 CA GLY A 87 16.599 34.506 -17.077 1.00 0.00 C ATOM 1394 C GLY A 87 16.097 34.741 -18.502 1.00 0.00 C ATOM 1395 O GLY A 87 16.905 34.866 -19.423 1.00 0.00 O ATOM 0 H GLY A 87 15.092 34.560 -15.634 1.00 0.00 H new ATOM 0 HA2 GLY A 87 17.623 34.867 -16.985 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.618 33.437 -16.867 1.00 0.00 H new ATOM 1399 N LYS A 88 14.776 34.880 -18.675 1.00 0.00 N ATOM 1400 CA LYS A 88 14.136 35.293 -19.922 1.00 0.00 C ATOM 1401 C LYS A 88 13.044 36.314 -19.618 1.00 0.00 C ATOM 1402 O LYS A 88 13.036 37.383 -20.222 1.00 0.00 O ATOM 1403 CB LYS A 88 13.514 34.083 -20.646 1.00 0.00 C ATOM 1404 CG LYS A 88 14.499 33.053 -21.225 1.00 0.00 C ATOM 1405 CD LYS A 88 15.347 33.618 -22.375 1.00 0.00 C ATOM 1406 CE LYS A 88 16.110 32.503 -23.106 1.00 0.00 C ATOM 1407 NZ LYS A 88 15.300 31.830 -24.155 1.00 0.00 N ATOM 0 H LYS A 88 14.107 34.702 -17.926 1.00 0.00 H new ATOM 0 HA LYS A 88 14.893 35.736 -20.569 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.854 33.569 -19.947 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.891 34.455 -21.459 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.159 32.703 -20.431 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.943 32.186 -21.582 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.703 34.144 -23.080 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.054 34.349 -21.983 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.006 32.924 -23.562 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.440 31.761 -22.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.753 30.932 -24.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 14.345 31.641 -23.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 15.235 32.445 -24.991 1.00 0.00 H new ATOM 1421 N ASP A 89 12.138 35.984 -18.686 1.00 0.00 N ATOM 1422 CA ASP A 89 10.913 36.731 -18.355 1.00 0.00 C ATOM 1423 C ASP A 89 10.040 37.083 -19.581 1.00 0.00 C ATOM 1424 O ASP A 89 9.190 37.972 -19.520 1.00 0.00 O ATOM 1425 CB ASP A 89 11.268 37.954 -17.489 1.00 0.00 C ATOM 1426 CG ASP A 89 10.034 38.619 -16.851 1.00 0.00 C ATOM 1427 OD1 ASP A 89 9.241 37.920 -16.181 1.00 0.00 O ATOM 1428 OD2 ASP A 89 9.888 39.859 -16.954 1.00 0.00 O ATOM 0 H ASP A 89 12.244 35.147 -18.113 1.00 0.00 H new ATOM 0 HA ASP A 89 10.274 36.070 -17.770 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.956 37.647 -16.701 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.792 38.687 -18.103 1.00 0.00 H new ATOM 1433 N ASP A 90 10.245 36.402 -20.716 1.00 0.00 N ATOM 1434 CA ASP A 90 9.641 36.730 -22.016 1.00 0.00 C ATOM 1435 C ASP A 90 9.590 35.494 -22.934 1.00 0.00 C ATOM 1436 O ASP A 90 9.390 35.599 -24.145 1.00 0.00 O ATOM 1437 CB ASP A 90 10.454 37.864 -22.668 1.00 0.00 C ATOM 1438 CG ASP A 90 9.792 38.430 -23.939 1.00 0.00 C ATOM 1439 OD1 ASP A 90 8.597 38.805 -23.898 1.00 0.00 O ATOM 1440 OD2 ASP A 90 10.484 38.572 -24.973 1.00 0.00 O ATOM 0 H ASP A 90 10.853 35.584 -20.757 1.00 0.00 H new ATOM 0 HA ASP A 90 8.613 37.058 -21.862 1.00 0.00 H new ATOM 0 HB2 ASP A 90 10.587 38.669 -21.946 1.00 0.00 H new ATOM 0 HB3 ASP A 90 11.448 37.493 -22.918 1.00 0.00 H new ATOM 1445 N ASP A 91 9.810 34.304 -22.370 1.00 0.00 N ATOM 1446 CA ASP A 91 9.899 33.028 -23.080 1.00 0.00 C ATOM 1447 C ASP A 91 9.438 31.929 -22.121 1.00 0.00 C ATOM 1448 O ASP A 91 9.458 32.132 -20.902 1.00 0.00 O ATOM 1449 CB ASP A 91 11.347 32.794 -23.530 1.00 0.00 C ATOM 1450 CG ASP A 91 11.556 31.484 -24.302 1.00 0.00 C ATOM 1451 OD1 ASP A 91 10.652 31.060 -25.056 1.00 0.00 O ATOM 1452 OD2 ASP A 91 12.664 30.916 -24.181 1.00 0.00 O ATOM 0 H ASP A 91 9.936 34.200 -21.363 1.00 0.00 H new ATOM 0 HA ASP A 91 9.268 33.027 -23.969 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.661 33.628 -24.158 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.994 32.794 -22.653 1.00 0.00 H new ATOM 1457 N VAL A 92 9.014 30.783 -22.653 1.00 0.00 N ATOM 1458 CA VAL A 92 8.345 29.732 -21.896 1.00 0.00 C ATOM 1459 C VAL A 92 8.949 28.377 -22.284 1.00 0.00 C ATOM 1460 O VAL A 92 9.368 28.156 -23.423 1.00 0.00 O ATOM 1461 CB VAL A 92 6.817 29.801 -22.143 1.00 0.00 C ATOM 1462 CG1 VAL A 92 6.028 28.754 -21.343 1.00 0.00 C ATOM 1463 CG2 VAL A 92 6.231 31.185 -21.803 1.00 0.00 C ATOM 0 H VAL A 92 9.129 30.557 -23.641 1.00 0.00 H new ATOM 0 HA VAL A 92 8.498 29.868 -20.825 1.00 0.00 H new ATOM 0 HB VAL A 92 6.708 29.598 -23.208 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.965 28.855 -21.561 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.362 27.755 -21.623 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.197 28.908 -20.277 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.158 31.182 -21.993 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.413 31.409 -20.752 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.707 31.944 -22.423 1.00 0.00 H new ATOM 1473 N TYR A 93 8.959 27.477 -21.307 1.00 0.00 N ATOM 1474 CA TYR A 93 9.498 26.131 -21.343 1.00 0.00 C ATOM 1475 C TYR A 93 8.433 25.180 -20.783 1.00 0.00 C ATOM 1476 O TYR A 93 7.379 25.615 -20.314 1.00 0.00 O ATOM 1477 CB TYR A 93 10.770 26.078 -20.475 1.00 0.00 C ATOM 1478 CG TYR A 93 11.885 27.029 -20.873 1.00 0.00 C ATOM 1479 CD1 TYR A 93 11.935 28.332 -20.336 1.00 0.00 C ATOM 1480 CD2 TYR A 93 12.898 26.594 -21.749 1.00 0.00 C ATOM 1481 CE1 TYR A 93 12.992 29.197 -20.673 1.00 0.00 C ATOM 1482 CE2 TYR A 93 13.963 27.450 -22.081 1.00 0.00 C ATOM 1483 CZ TYR A 93 14.017 28.756 -21.541 1.00 0.00 C ATOM 1484 OH TYR A 93 15.061 29.581 -21.835 1.00 0.00 O ATOM 0 H TYR A 93 8.556 27.693 -20.395 1.00 0.00 H new ATOM 0 HA TYR A 93 9.755 25.839 -22.361 1.00 0.00 H new ATOM 0 HB2 TYR A 93 10.491 26.288 -19.443 1.00 0.00 H new ATOM 0 HB3 TYR A 93 11.161 25.061 -20.499 1.00 0.00 H new ATOM 0 HD1 TYR A 93 11.159 28.667 -19.664 1.00 0.00 H new ATOM 0 HD2 TYR A 93 12.857 25.599 -22.167 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.020 30.198 -20.269 1.00 0.00 H new ATOM 0 HE2 TYR A 93 14.740 27.110 -22.749 1.00 0.00 H new ATOM 0 HH TYR A 93 15.678 29.124 -22.444 1.00 0.00 H new ATOM 1494 N THR A 94 8.742 23.887 -20.767 1.00 0.00 N ATOM 1495 CA THR A 94 7.937 22.869 -20.103 1.00 0.00 C ATOM 1496 C THR A 94 8.867 22.109 -19.159 1.00 0.00 C ATOM 1497 O THR A 94 10.003 21.787 -19.521 1.00 0.00 O ATOM 1498 CB THR A 94 7.246 21.962 -21.141 1.00 0.00 C ATOM 1499 OG1 THR A 94 6.650 22.730 -22.174 1.00 0.00 O ATOM 1500 CG2 THR A 94 6.145 21.106 -20.510 1.00 0.00 C ATOM 0 H THR A 94 9.573 23.511 -21.223 1.00 0.00 H new ATOM 0 HA THR A 94 7.127 23.309 -19.522 1.00 0.00 H new ATOM 0 HB THR A 94 8.027 21.318 -21.545 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.220 22.132 -22.820 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.685 20.482 -21.276 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.576 20.471 -19.736 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.389 21.754 -20.067 1.00 0.00 H new ATOM 1508 N ALA A 95 8.378 21.838 -17.951 1.00 0.00 N ATOM 1509 CA ALA A 95 9.084 21.130 -16.898 1.00 0.00 C ATOM 1510 C ALA A 95 8.174 20.008 -16.410 1.00 0.00 C ATOM 1511 O ALA A 95 6.950 20.117 -16.500 1.00 0.00 O ATOM 1512 CB ALA A 95 9.401 22.109 -15.761 1.00 0.00 C ATOM 0 H ALA A 95 7.438 22.120 -17.672 1.00 0.00 H new ATOM 0 HA ALA A 95 10.024 20.712 -17.259 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.931 21.584 -14.966 1.00 0.00 H new ATOM 0 HB2 ALA A 95 10.025 22.918 -16.141 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.472 22.521 -15.367 1.00 0.00 H new ATOM 1518 N LYS A 96 8.750 18.933 -15.872 1.00 0.00 N ATOM 1519 CA LYS A 96 7.961 17.924 -15.187 1.00 0.00 C ATOM 1520 C LYS A 96 7.509 18.584 -13.894 1.00 0.00 C ATOM 1521 O LYS A 96 8.325 19.233 -13.236 1.00 0.00 O ATOM 1522 CB LYS A 96 8.811 16.683 -14.887 1.00 0.00 C ATOM 1523 CG LYS A 96 9.463 16.063 -16.140 1.00 0.00 C ATOM 1524 CD LYS A 96 10.454 14.942 -15.791 1.00 0.00 C ATOM 1525 CE LYS A 96 11.650 15.426 -14.952 1.00 0.00 C ATOM 1526 NZ LYS A 96 12.671 16.179 -15.724 1.00 0.00 N ATOM 0 H LYS A 96 9.752 18.744 -15.899 1.00 0.00 H new ATOM 0 HA LYS A 96 7.119 17.588 -15.792 1.00 0.00 H new ATOM 0 HB2 LYS A 96 9.593 16.951 -14.176 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.185 15.932 -14.404 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.685 15.666 -16.792 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.982 16.842 -16.699 1.00 0.00 H new ATOM 0 HD2 LYS A 96 9.928 14.159 -15.244 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.824 14.493 -16.713 1.00 0.00 H new ATOM 0 HE2 LYS A 96 11.281 16.059 -14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 96 12.126 14.563 -14.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.215 16.787 -15.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 13.314 15.510 -16.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.200 16.768 -16.441 1.00 0.00 H new ATOM 1540 N LEU A 97 6.264 18.371 -13.472 1.00 0.00 N ATOM 1541 CA LEU A 97 5.852 18.793 -12.130 1.00 0.00 C ATOM 1542 C LEU A 97 6.730 18.093 -11.082 1.00 0.00 C ATOM 1543 O LEU A 97 7.012 18.644 -10.023 1.00 0.00 O ATOM 1544 CB LEU A 97 4.363 18.499 -11.890 1.00 0.00 C ATOM 1545 CG LEU A 97 3.835 19.093 -10.564 1.00 0.00 C ATOM 1546 CD1 LEU A 97 3.901 20.625 -10.550 1.00 0.00 C ATOM 1547 CD2 LEU A 97 2.384 18.665 -10.362 1.00 0.00 C ATOM 0 H LEU A 97 5.535 17.919 -14.024 1.00 0.00 H new ATOM 0 HA LEU A 97 5.986 19.871 -12.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.781 18.901 -12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.208 17.420 -11.886 1.00 0.00 H new ATOM 0 HG LEU A 97 4.470 18.718 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.520 20.997 -9.599 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.935 20.946 -10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.295 21.023 -11.364 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.008 19.082 -9.428 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.778 19.030 -11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.328 17.577 -10.322 1.00 0.00 H new ATOM 1559 N SER A 98 7.220 16.901 -11.421 1.00 0.00 N ATOM 1560 CA SER A 98 8.158 16.096 -10.655 1.00 0.00 C ATOM 1561 C SER A 98 9.481 16.815 -10.348 1.00 0.00 C ATOM 1562 O SER A 98 10.145 16.490 -9.365 1.00 0.00 O ATOM 1563 CB SER A 98 8.431 14.856 -11.506 1.00 0.00 C ATOM 1564 OG SER A 98 7.196 14.342 -11.996 1.00 0.00 O ATOM 0 H SER A 98 6.952 16.447 -12.294 1.00 0.00 H new ATOM 0 HA SER A 98 7.724 15.865 -9.682 1.00 0.00 H new ATOM 0 HB2 SER A 98 9.089 15.109 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.944 14.099 -10.913 1.00 0.00 H new ATOM 0 HG SER A 98 7.367 13.547 -12.544 1.00 0.00 H new ATOM 1570 N ASP A 99 9.851 17.795 -11.177 1.00 0.00 N ATOM 1571 CA ASP A 99 11.082 18.579 -11.056 1.00 0.00 C ATOM 1572 C ASP A 99 10.742 20.001 -10.597 1.00 0.00 C ATOM 1573 O ASP A 99 11.589 20.882 -10.661 1.00 0.00 O ATOM 1574 CB ASP A 99 11.863 18.582 -12.393 1.00 0.00 C ATOM 1575 CG ASP A 99 12.873 17.439 -12.567 1.00 0.00 C ATOM 1576 OD1 ASP A 99 12.814 16.424 -11.841 1.00 0.00 O ATOM 1577 OD2 ASP A 99 13.691 17.539 -13.514 1.00 0.00 O ATOM 0 H ASP A 99 9.283 18.073 -11.977 1.00 0.00 H new ATOM 0 HA ASP A 99 11.729 18.122 -10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 99 11.146 18.539 -13.213 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.393 19.530 -12.482 1.00 0.00 H new ATOM 1582 N ILE A 100 9.524 20.266 -10.126 1.00 0.00 N ATOM 1583 CA ILE A 100 9.090 21.580 -9.669 1.00 0.00 C ATOM 1584 C ILE A 100 8.730 21.477 -8.196 1.00 0.00 C ATOM 1585 O ILE A 100 8.246 20.456 -7.704 1.00 0.00 O ATOM 1586 CB ILE A 100 7.931 22.086 -10.568 1.00 0.00 C ATOM 1587 CG1 ILE A 100 8.522 22.701 -11.854 1.00 0.00 C ATOM 1588 CG2 ILE A 100 6.922 23.043 -9.897 1.00 0.00 C ATOM 1589 CD1 ILE A 100 8.822 24.201 -11.817 1.00 0.00 C ATOM 0 H ILE A 100 8.797 19.555 -10.051 1.00 0.00 H new ATOM 0 HA ILE A 100 9.883 22.323 -9.757 1.00 0.00 H new ATOM 0 HB ILE A 100 7.327 21.208 -10.797 1.00 0.00 H new ATOM 0 HG12 ILE A 100 9.446 22.174 -12.091 1.00 0.00 H new ATOM 0 HG13 ILE A 100 7.828 22.512 -12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 100 6.158 23.331 -10.619 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.452 22.541 -9.051 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.443 23.934 -9.546 1.00 0.00 H new ATOM 0 HD11 ILE A 100 9.233 24.514 -12.777 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.902 24.751 -11.619 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.545 24.408 -11.028 1.00 0.00 H new ATOM 1601 N GLU A 101 8.958 22.586 -7.509 1.00 0.00 N ATOM 1602 CA GLU A 101 8.499 22.812 -6.152 1.00 0.00 C ATOM 1603 C GLU A 101 7.961 24.238 -6.120 1.00 0.00 C ATOM 1604 O GLU A 101 8.584 25.145 -6.675 1.00 0.00 O ATOM 1605 CB GLU A 101 9.647 22.578 -5.158 1.00 0.00 C ATOM 1606 CG GLU A 101 9.222 22.801 -3.696 1.00 0.00 C ATOM 1607 CD GLU A 101 8.046 21.904 -3.253 1.00 0.00 C ATOM 1608 OE1 GLU A 101 6.881 22.209 -3.603 1.00 0.00 O ATOM 1609 OE2 GLU A 101 8.288 20.906 -2.537 1.00 0.00 O ATOM 0 H GLU A 101 9.482 23.373 -7.892 1.00 0.00 H new ATOM 0 HA GLU A 101 7.713 22.118 -5.856 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.019 21.560 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.472 23.248 -5.398 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.076 22.614 -3.045 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.942 23.846 -3.563 1.00 0.00 H new ATOM 1616 N ALA A 102 6.782 24.440 -5.537 1.00 0.00 N ATOM 1617 CA ALA A 102 6.162 25.755 -5.507 1.00 0.00 C ATOM 1618 C ALA A 102 6.810 26.627 -4.433 1.00 0.00 C ATOM 1619 O ALA A 102 7.345 26.135 -3.436 1.00 0.00 O ATOM 1620 CB ALA A 102 4.663 25.640 -5.249 1.00 0.00 C ATOM 0 H ALA A 102 6.239 23.707 -5.080 1.00 0.00 H new ATOM 0 HA ALA A 102 6.313 26.222 -6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.220 26.636 -5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.201 25.052 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.495 25.150 -4.290 1.00 0.00 H new ATOM 1626 N ILE A 103 6.691 27.938 -4.620 1.00 0.00 N ATOM 1627 CA ILE A 103 7.158 28.956 -3.693 1.00 0.00 C ATOM 1628 C ILE A 103 5.945 29.817 -3.326 1.00 0.00 C ATOM 1629 O ILE A 103 5.227 30.298 -4.205 1.00 0.00 O ATOM 1630 CB ILE A 103 8.300 29.774 -4.345 1.00 0.00 C ATOM 1631 CG1 ILE A 103 9.531 28.893 -4.675 1.00 0.00 C ATOM 1632 CG2 ILE A 103 8.735 30.936 -3.433 1.00 0.00 C ATOM 1633 CD1 ILE A 103 10.525 29.573 -5.625 1.00 0.00 C ATOM 0 H ILE A 103 6.251 28.332 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 103 7.575 28.523 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 103 7.904 30.173 -5.279 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.043 28.634 -3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.191 27.959 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.538 31.495 -3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 103 7.887 31.598 -3.257 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.088 30.539 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 103 11.363 28.903 -5.815 1.00 0.00 H new ATOM 0 HD12 ILE A 103 10.027 29.807 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.892 30.493 -5.170 1.00 0.00 H new ATOM 1645 N ASP A 104 5.760 30.030 -2.018 1.00 0.00 N ATOM 1646 CA ASP A 104 4.767 30.930 -1.421 1.00 0.00 C ATOM 1647 C ASP A 104 3.347 30.742 -1.990 1.00 0.00 C ATOM 1648 O ASP A 104 2.616 31.706 -2.227 1.00 0.00 O ATOM 1649 CB ASP A 104 5.277 32.381 -1.483 1.00 0.00 C ATOM 1650 CG ASP A 104 4.401 33.356 -0.674 1.00 0.00 C ATOM 1651 OD1 ASP A 104 4.051 33.053 0.489 1.00 0.00 O ATOM 1652 OD2 ASP A 104 4.110 34.469 -1.171 1.00 0.00 O ATOM 0 H ASP A 104 6.326 29.557 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 104 4.655 30.663 -0.370 1.00 0.00 H new ATOM 0 HB2 ASP A 104 6.299 32.419 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 104 5.309 32.706 -2.523 1.00 0.00 H new ATOM 1657 N VAL A 105 2.967 29.488 -2.260 1.00 0.00 N ATOM 1658 CA VAL A 105 1.689 29.154 -2.891 1.00 0.00 C ATOM 1659 C VAL A 105 0.621 28.824 -1.834 1.00 0.00 C ATOM 1660 O VAL A 105 0.919 28.748 -0.636 1.00 0.00 O ATOM 1661 CB VAL A 105 1.920 28.057 -3.954 1.00 0.00 C ATOM 1662 CG1 VAL A 105 2.016 26.632 -3.389 1.00 0.00 C ATOM 1663 CG2 VAL A 105 0.898 28.156 -5.088 1.00 0.00 C ATOM 0 H VAL A 105 3.542 28.673 -2.045 1.00 0.00 H new ATOM 0 HA VAL A 105 1.283 30.015 -3.423 1.00 0.00 H new ATOM 0 HB VAL A 105 2.909 28.257 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.178 25.927 -4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 105 2.849 26.574 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.089 26.382 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.088 27.370 -5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.107 28.039 -4.683 1.00 0.00 H new ATOM 0 HG23 VAL A 105 0.984 29.129 -5.571 1.00 0.00 H new ATOM 1673 N ASP A 106 -0.631 28.650 -2.269 1.00 0.00 N ATOM 1674 CA ASP A 106 -1.738 28.260 -1.399 1.00 0.00 C ATOM 1675 C ASP A 106 -1.583 26.806 -0.951 1.00 0.00 C ATOM 1676 O ASP A 106 -0.934 25.991 -1.614 1.00 0.00 O ATOM 1677 CB ASP A 106 -3.101 28.503 -2.075 1.00 0.00 C ATOM 1678 CG ASP A 106 -3.913 27.219 -2.317 1.00 0.00 C ATOM 1679 OD1 ASP A 106 -3.644 26.529 -3.322 1.00 0.00 O ATOM 1680 OD2 ASP A 106 -4.780 26.886 -1.477 1.00 0.00 O ATOM 0 H ASP A 106 -0.904 28.778 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.707 28.891 -0.510 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -3.688 29.181 -1.455 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -2.938 29.004 -3.029 1.00 0.00 H new ATOM 1685 N ASP A 107 -2.211 26.481 0.177 1.00 0.00 N ATOM 1686 CA ASP A 107 -2.092 25.172 0.797 1.00 0.00 C ATOM 1687 C ASP A 107 -2.519 24.039 -0.138 1.00 0.00 C ATOM 1688 O ASP A 107 -1.857 23.007 -0.169 1.00 0.00 O ATOM 1689 CB ASP A 107 -2.915 25.131 2.087 1.00 0.00 C ATOM 1690 CG ASP A 107 -2.831 23.751 2.761 1.00 0.00 C ATOM 1691 OD1 ASP A 107 -1.778 23.434 3.360 1.00 0.00 O ATOM 1692 OD2 ASP A 107 -3.839 23.011 2.756 1.00 0.00 O ATOM 0 H ASP A 107 -2.818 27.124 0.685 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.038 25.016 1.026 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -2.555 25.896 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -3.956 25.366 1.864 1.00 0.00 H new ATOM 1697 N ASP A 108 -3.582 24.214 -0.928 1.00 0.00 N ATOM 1698 CA ASP A 108 -4.129 23.132 -1.743 1.00 0.00 C ATOM 1699 C ASP A 108 -3.222 22.850 -2.946 1.00 0.00 C ATOM 1700 O ASP A 108 -2.977 21.691 -3.285 1.00 0.00 O ATOM 1701 CB ASP A 108 -5.561 23.482 -2.180 1.00 0.00 C ATOM 1702 CG ASP A 108 -6.459 22.259 -2.444 1.00 0.00 C ATOM 1703 OD1 ASP A 108 -6.139 21.127 -2.018 1.00 0.00 O ATOM 1704 OD2 ASP A 108 -7.554 22.451 -3.019 1.00 0.00 O ATOM 0 H ASP A 108 -4.081 25.099 -1.019 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.170 22.219 -1.148 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.023 24.098 -1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.515 24.087 -3.086 1.00 0.00 H new ATOM 1709 N THR A 109 -2.648 23.899 -3.546 1.00 0.00 N ATOM 1710 CA THR A 109 -1.619 23.791 -4.574 1.00 0.00 C ATOM 1711 C THR A 109 -0.414 23.036 -4.011 1.00 0.00 C ATOM 1712 O THR A 109 0.037 22.060 -4.616 1.00 0.00 O ATOM 1713 CB THR A 109 -1.241 25.202 -5.080 1.00 0.00 C ATOM 1714 OG1 THR A 109 -2.405 25.885 -5.487 1.00 0.00 O ATOM 1715 CG2 THR A 109 -0.320 25.166 -6.302 1.00 0.00 C ATOM 0 H THR A 109 -2.894 24.863 -3.323 1.00 0.00 H new ATOM 0 HA THR A 109 -1.993 23.226 -5.428 1.00 0.00 H new ATOM 0 HB THR A 109 -0.730 25.694 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 109 -2.720 26.458 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 109 -0.088 26.185 -6.613 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.603 24.645 -6.047 1.00 0.00 H new ATOM 0 HG23 THR A 109 -0.818 24.642 -7.118 1.00 0.00 H new ATOM 1723 N GLN A 110 0.085 23.442 -2.840 1.00 0.00 N ATOM 1724 CA GLN A 110 1.260 22.821 -2.257 1.00 0.00 C ATOM 1725 C GLN A 110 0.990 21.355 -1.901 1.00 0.00 C ATOM 1726 O GLN A 110 1.871 20.515 -2.097 1.00 0.00 O ATOM 1727 CB GLN A 110 1.718 23.642 -1.046 1.00 0.00 C ATOM 1728 CG GLN A 110 3.039 23.147 -0.447 1.00 0.00 C ATOM 1729 CD GLN A 110 4.209 23.157 -1.436 1.00 0.00 C ATOM 1730 OE1 GLN A 110 4.905 24.159 -1.569 1.00 0.00 O ATOM 1731 NE2 GLN A 110 4.456 22.057 -2.135 1.00 0.00 N ATOM 0 H GLN A 110 -0.312 24.199 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 110 2.069 22.813 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 110 1.829 24.685 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 110 0.944 23.610 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.295 23.770 0.410 1.00 0.00 H new ATOM 0 HG3 GLN A 110 2.900 22.133 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 110 3.868 21.232 -2.013 1.00 0.00 H new ATOM 0 HE22 GLN A 110 5.234 22.036 -2.795 1.00 0.00 H new ATOM 1740 N GLU A 111 -0.211 21.035 -1.415 1.00 0.00 N ATOM 1741 CA GLU A 111 -0.599 19.671 -1.091 1.00 0.00 C ATOM 1742 C GLU A 111 -0.650 18.808 -2.344 1.00 0.00 C ATOM 1743 O GLU A 111 -0.147 17.691 -2.299 1.00 0.00 O ATOM 1744 CB GLU A 111 -1.953 19.638 -0.365 1.00 0.00 C ATOM 1745 CG GLU A 111 -1.836 19.998 1.122 1.00 0.00 C ATOM 1746 CD GLU A 111 -1.175 18.880 1.949 1.00 0.00 C ATOM 1747 OE1 GLU A 111 -1.875 17.924 2.355 1.00 0.00 O ATOM 1748 OE2 GLU A 111 0.044 18.954 2.222 1.00 0.00 O ATOM 0 H GLU A 111 -0.942 21.723 -1.236 1.00 0.00 H new ATOM 0 HA GLU A 111 0.158 19.263 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -2.638 20.333 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.388 18.643 -0.461 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -1.255 20.914 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.829 20.203 1.522 1.00 0.00 H new ATOM 1755 N ALA A 112 -1.190 19.299 -3.463 1.00 0.00 N ATOM 1756 CA ALA A 112 -1.228 18.530 -4.702 1.00 0.00 C ATOM 1757 C ALA A 112 0.186 18.222 -5.201 1.00 0.00 C ATOM 1758 O ALA A 112 0.434 17.129 -5.704 1.00 0.00 O ATOM 1759 CB ALA A 112 -2.012 19.302 -5.760 1.00 0.00 C ATOM 0 H ALA A 112 -1.607 20.227 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.726 17.580 -4.508 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -2.039 18.726 -6.685 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -3.030 19.471 -5.408 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.528 20.261 -5.944 1.00 0.00 H new ATOM 1765 N ILE A 113 1.115 19.169 -5.053 1.00 0.00 N ATOM 1766 CA ILE A 113 2.507 18.987 -5.449 1.00 0.00 C ATOM 1767 C ILE A 113 3.159 17.929 -4.556 1.00 0.00 C ATOM 1768 O ILE A 113 3.744 16.976 -5.067 1.00 0.00 O ATOM 1769 CB ILE A 113 3.228 20.348 -5.387 1.00 0.00 C ATOM 1770 CG1 ILE A 113 2.670 21.270 -6.489 1.00 0.00 C ATOM 1771 CG2 ILE A 113 4.753 20.204 -5.521 1.00 0.00 C ATOM 1772 CD1 ILE A 113 2.924 22.743 -6.194 1.00 0.00 C ATOM 0 H ILE A 113 0.919 20.087 -4.653 1.00 0.00 H new ATOM 0 HA ILE A 113 2.576 18.625 -6.475 1.00 0.00 H new ATOM 0 HB ILE A 113 3.040 20.788 -4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 113 3.127 21.009 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.598 21.102 -6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 113 5.217 21.189 -5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.132 19.583 -4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.992 19.738 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.512 23.352 -6.999 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.445 23.014 -5.253 1.00 0.00 H new ATOM 0 HD13 ILE A 113 3.997 22.919 -6.118 1.00 0.00 H new ATOM 1784 N ALA A 114 3.047 18.072 -3.232 1.00 0.00 N ATOM 1785 CA ALA A 114 3.612 17.113 -2.292 1.00 0.00 C ATOM 1786 C ALA A 114 3.022 15.720 -2.537 1.00 0.00 C ATOM 1787 O ALA A 114 3.754 14.738 -2.610 1.00 0.00 O ATOM 1788 CB ALA A 114 3.340 17.584 -0.859 1.00 0.00 C ATOM 0 H ALA A 114 2.564 18.853 -2.788 1.00 0.00 H new ATOM 0 HA ALA A 114 4.690 17.049 -2.439 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.762 16.868 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.800 18.560 -0.703 1.00 0.00 H new ATOM 0 HB3 ALA A 114 2.264 17.660 -0.699 1.00 0.00 H new ATOM 1794 N ASP A 115 1.706 15.647 -2.725 1.00 0.00 N ATOM 1795 CA ASP A 115 0.982 14.403 -2.971 1.00 0.00 C ATOM 1796 C ASP A 115 1.419 13.736 -4.274 1.00 0.00 C ATOM 1797 O ASP A 115 1.633 12.522 -4.311 1.00 0.00 O ATOM 1798 CB ASP A 115 -0.521 14.678 -3.002 1.00 0.00 C ATOM 1799 CG ASP A 115 -1.324 13.408 -3.275 1.00 0.00 C ATOM 1800 OD1 ASP A 115 -1.118 12.393 -2.577 1.00 0.00 O ATOM 1801 OD2 ASP A 115 -2.250 13.460 -4.115 1.00 0.00 O ATOM 0 H ASP A 115 1.101 16.468 -2.710 1.00 0.00 H new ATOM 0 HA ASP A 115 1.215 13.716 -2.157 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -0.832 15.107 -2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -0.739 15.419 -3.771 1.00 0.00 H new ATOM 1806 N TRP A 116 1.619 14.531 -5.331 1.00 0.00 N ATOM 1807 CA TRP A 116 2.172 14.040 -6.583 1.00 0.00 C ATOM 1808 C TRP A 116 3.556 13.443 -6.339 1.00 0.00 C ATOM 1809 O TRP A 116 3.838 12.342 -6.808 1.00 0.00 O ATOM 1810 CB TRP A 116 2.245 15.154 -7.642 1.00 0.00 C ATOM 1811 CG TRP A 116 3.003 14.740 -8.868 1.00 0.00 C ATOM 1812 CD1 TRP A 116 4.201 15.226 -9.272 1.00 0.00 C ATOM 1813 CD2 TRP A 116 2.697 13.634 -9.768 1.00 0.00 C ATOM 1814 NE1 TRP A 116 4.664 14.488 -10.345 1.00 0.00 N ATOM 1815 CE2 TRP A 116 3.795 13.466 -10.661 1.00 0.00 C ATOM 1816 CE3 TRP A 116 1.624 12.723 -9.887 1.00 0.00 C ATOM 1817 CZ2 TRP A 116 3.837 12.430 -11.599 1.00 0.00 C ATOM 1818 CZ3 TRP A 116 1.649 11.691 -10.844 1.00 0.00 C ATOM 1819 CH2 TRP A 116 2.758 11.538 -11.694 1.00 0.00 C ATOM 0 H TRP A 116 1.401 15.527 -5.336 1.00 0.00 H new ATOM 0 HA TRP A 116 1.509 13.265 -6.967 1.00 0.00 H new ATOM 0 HB2 TRP A 116 1.234 15.446 -7.926 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.720 16.033 -7.206 1.00 0.00 H new ATOM 0 HD1 TRP A 116 4.716 16.063 -8.824 1.00 0.00 H new ATOM 0 HE1 TRP A 116 5.536 14.676 -10.839 1.00 0.00 H new ATOM 0 HE3 TRP A 116 0.770 12.820 -9.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 4.694 12.317 -12.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 0.812 11.013 -10.926 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.780 10.737 -12.418 1.00 0.00 H new ATOM 1830 N LEU A 117 4.410 14.139 -5.583 1.00 0.00 N ATOM 1831 CA LEU A 117 5.759 13.674 -5.302 1.00 0.00 C ATOM 1832 C LEU A 117 5.734 12.383 -4.481 1.00 0.00 C ATOM 1833 O LEU A 117 6.566 11.517 -4.746 1.00 0.00 O ATOM 1834 CB LEU A 117 6.588 14.776 -4.621 1.00 0.00 C ATOM 1835 CG LEU A 117 6.922 15.959 -5.555 1.00 0.00 C ATOM 1836 CD1 LEU A 117 7.474 17.130 -4.735 1.00 0.00 C ATOM 1837 CD2 LEU A 117 7.934 15.578 -6.644 1.00 0.00 C ATOM 0 H LEU A 117 4.181 15.035 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 117 6.247 13.442 -6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.041 15.150 -3.756 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.517 14.344 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 117 5.996 16.248 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 117 7.708 17.962 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 117 6.728 17.447 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.379 16.816 -4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.135 16.445 -7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 117 8.862 15.245 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.526 14.773 -7.255 1.00 0.00 H new ATOM 1849 N TYR A 118 4.784 12.198 -3.551 1.00 0.00 N ATOM 1850 CA TYR A 118 4.639 10.928 -2.838 1.00 0.00 C ATOM 1851 C TYR A 118 4.328 9.817 -3.841 1.00 0.00 C ATOM 1852 O TYR A 118 5.048 8.826 -3.916 1.00 0.00 O ATOM 1853 CB TYR A 118 3.516 10.946 -1.779 1.00 0.00 C ATOM 1854 CG TYR A 118 3.451 12.067 -0.758 1.00 0.00 C ATOM 1855 CD1 TYR A 118 4.599 12.749 -0.307 1.00 0.00 C ATOM 1856 CD2 TYR A 118 2.188 12.409 -0.235 1.00 0.00 C ATOM 1857 CE1 TYR A 118 4.477 13.789 0.633 1.00 0.00 C ATOM 1858 CE2 TYR A 118 2.054 13.454 0.692 1.00 0.00 C ATOM 1859 CZ TYR A 118 3.203 14.150 1.134 1.00 0.00 C ATOM 1860 OH TYR A 118 3.069 15.155 2.045 1.00 0.00 O ATOM 0 H TYR A 118 4.109 12.912 -3.279 1.00 0.00 H new ATOM 0 HA TYR A 118 5.582 10.755 -2.320 1.00 0.00 H new ATOM 0 HB2 TYR A 118 2.566 10.940 -2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 118 3.577 10.008 -1.227 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.573 12.473 -0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 118 1.313 11.861 -0.551 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.358 14.313 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 118 1.078 13.725 1.066 1.00 0.00 H new ATOM 0 HH TYR A 118 2.123 15.264 2.275 1.00 0.00 H new ATOM 1870 N TRP A 119 3.262 9.981 -4.626 1.00 0.00 N ATOM 1871 CA TRP A 119 2.764 8.964 -5.539 1.00 0.00 C ATOM 1872 C TRP A 119 3.825 8.610 -6.584 1.00 0.00 C ATOM 1873 O TRP A 119 4.044 7.436 -6.889 1.00 0.00 O ATOM 1874 CB TRP A 119 1.479 9.521 -6.155 1.00 0.00 C ATOM 1875 CG TRP A 119 0.883 8.750 -7.287 1.00 0.00 C ATOM 1876 CD1 TRP A 119 1.147 8.975 -8.590 1.00 0.00 C ATOM 1877 CD2 TRP A 119 -0.043 7.621 -7.253 1.00 0.00 C ATOM 1878 NE1 TRP A 119 0.454 8.069 -9.369 1.00 0.00 N ATOM 1879 CE2 TRP A 119 -0.331 7.233 -8.596 1.00 0.00 C ATOM 1880 CE3 TRP A 119 -0.645 6.868 -6.221 1.00 0.00 C ATOM 1881 CZ2 TRP A 119 -1.188 6.159 -8.893 1.00 0.00 C ATOM 1882 CZ3 TRP A 119 -1.512 5.797 -6.509 1.00 0.00 C ATOM 1883 CH2 TRP A 119 -1.787 5.445 -7.842 1.00 0.00 C ATOM 0 H TRP A 119 2.714 10.841 -4.642 1.00 0.00 H new ATOM 0 HA TRP A 119 2.544 8.029 -5.024 1.00 0.00 H new ATOM 0 HB2 TRP A 119 0.731 9.599 -5.366 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.681 10.534 -6.504 1.00 0.00 H new ATOM 0 HD1 TRP A 119 1.801 9.747 -8.967 1.00 0.00 H new ATOM 0 HE1 TRP A 119 0.514 8.022 -10.386 1.00 0.00 H new ATOM 0 HE3 TRP A 119 -0.436 7.119 -5.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -1.384 5.885 -9.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 -1.968 5.243 -5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -2.458 4.627 -8.058 1.00 0.00 H new ATOM 1894 N LEU A 120 4.543 9.615 -7.084 1.00 0.00 N ATOM 1895 CA LEU A 120 5.653 9.423 -7.996 1.00 0.00 C ATOM 1896 C LEU A 120 6.760 8.608 -7.331 1.00 0.00 C ATOM 1897 O LEU A 120 7.223 7.623 -7.903 1.00 0.00 O ATOM 1898 CB LEU A 120 6.181 10.793 -8.431 1.00 0.00 C ATOM 1899 CG LEU A 120 7.326 10.682 -9.449 1.00 0.00 C ATOM 1900 CD1 LEU A 120 6.831 10.077 -10.767 1.00 0.00 C ATOM 1901 CD2 LEU A 120 7.891 12.078 -9.684 1.00 0.00 C ATOM 0 H LEU A 120 4.362 10.594 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 120 5.312 8.870 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.366 11.372 -8.866 1.00 0.00 H new ATOM 0 HB3 LEU A 120 6.529 11.340 -7.555 1.00 0.00 H new ATOM 0 HG LEU A 120 8.101 10.023 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 120 7.661 10.009 -11.471 1.00 0.00 H new ATOM 0 HD12 LEU A 120 6.430 9.081 -10.582 1.00 0.00 H new ATOM 0 HD13 LEU A 120 6.050 10.710 -11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.707 12.024 -10.405 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.106 12.727 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 120 8.264 12.483 -8.743 1.00 0.00 H new ATOM 1913 N ALA A 121 7.166 8.988 -6.115 1.00 0.00 N ATOM 1914 CA ALA A 121 8.217 8.305 -5.374 1.00 0.00 C ATOM 1915 C ALA A 121 7.833 6.868 -5.008 1.00 0.00 C ATOM 1916 O ALA A 121 8.724 6.050 -4.787 1.00 0.00 O ATOM 1917 CB ALA A 121 8.560 9.102 -4.112 1.00 0.00 C ATOM 0 H ALA A 121 6.768 9.785 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 121 9.092 8.245 -6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 121 9.347 8.588 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 121 8.904 10.097 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 121 7.673 9.189 -3.484 1.00 0.00 H new ATOM 1923 N ARG A 122 6.536 6.525 -4.978 1.00 0.00 N ATOM 1924 CA ARG A 122 6.100 5.139 -4.758 1.00 0.00 C ATOM 1925 C ARG A 122 6.403 4.271 -5.980 1.00 0.00 C ATOM 1926 O ARG A 122 6.310 3.048 -5.874 1.00 0.00 O ATOM 1927 CB ARG A 122 4.582 5.072 -4.471 1.00 0.00 C ATOM 1928 CG ARG A 122 4.104 5.686 -3.148 1.00 0.00 C ATOM 1929 CD ARG A 122 4.265 4.747 -1.949 1.00 0.00 C ATOM 1930 NE ARG A 122 3.249 3.681 -1.942 1.00 0.00 N ATOM 1931 CZ ARG A 122 3.031 2.814 -0.945 1.00 0.00 C ATOM 1932 NH1 ARG A 122 3.877 2.720 0.073 1.00 0.00 N ATOM 1933 NH2 ARG A 122 1.955 2.040 -0.949 1.00 0.00 N ATOM 0 H ARG A 122 5.772 7.189 -5.103 1.00 0.00 H new ATOM 0 HA ARG A 122 6.650 4.763 -3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.059 5.571 -5.287 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.278 4.026 -4.490 1.00 0.00 H new ATOM 0 HG2 ARG A 122 4.662 6.603 -2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 122 3.055 5.965 -3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 122 5.259 4.300 -1.970 1.00 0.00 H new ATOM 0 HD3 ARG A 122 4.193 5.322 -1.026 1.00 0.00 H new ATOM 0 HE ARG A 122 2.659 3.595 -2.770 1.00 0.00 H new ATOM 0 HH11 ARG A 122 4.706 3.313 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 122 3.698 2.055 0.825 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.285 2.102 -1.716 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.797 1.382 -0.185 1.00 0.00 H new ATOM 1947 N GLY A 123 6.756 4.868 -7.123 1.00 0.00 N ATOM 1948 CA GLY A 123 6.821 4.162 -8.393 1.00 0.00 C ATOM 1949 C GLY A 123 5.390 3.871 -8.872 1.00 0.00 C ATOM 1950 O GLY A 123 5.199 2.997 -9.718 1.00 0.00 O ATOM 0 H GLY A 123 7.004 5.855 -7.187 1.00 0.00 H new ATOM 0 HA2 GLY A 123 7.351 4.763 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 123 7.377 3.232 -8.280 1.00 0.00 H new ATOM 1954 N TYR A 124 4.409 4.596 -8.306 1.00 0.00 N ATOM 1955 CA TYR A 124 2.969 4.420 -8.395 1.00 0.00 C ATOM 1956 C TYR A 124 2.480 2.966 -8.528 1.00 0.00 C ATOM 1957 O TYR A 124 3.103 2.048 -7.986 1.00 0.00 O ATOM 1958 CB TYR A 124 2.378 5.475 -9.341 1.00 0.00 C ATOM 1959 CG TYR A 124 3.227 6.024 -10.472 1.00 0.00 C ATOM 1960 CD1 TYR A 124 3.601 5.223 -11.565 1.00 0.00 C ATOM 1961 CD2 TYR A 124 3.576 7.386 -10.455 1.00 0.00 C ATOM 1962 CE1 TYR A 124 4.312 5.790 -12.638 1.00 0.00 C ATOM 1963 CE2 TYR A 124 4.218 7.979 -11.551 1.00 0.00 C ATOM 1964 CZ TYR A 124 4.607 7.176 -12.647 1.00 0.00 C ATOM 1965 OH TYR A 124 5.258 7.744 -13.701 1.00 0.00 O ATOM 0 H TYR A 124 4.640 5.397 -7.719 1.00 0.00 H new ATOM 0 HA TYR A 124 2.530 4.627 -7.419 1.00 0.00 H new ATOM 0 HB2 TYR A 124 1.479 5.048 -9.785 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.061 6.320 -8.730 1.00 0.00 H new ATOM 0 HD1 TYR A 124 3.343 4.174 -11.581 1.00 0.00 H new ATOM 0 HD2 TYR A 124 3.346 7.984 -9.585 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.635 5.166 -13.459 1.00 0.00 H new ATOM 0 HE2 TYR A 124 4.414 9.041 -11.558 1.00 0.00 H new ATOM 0 HH TYR A 124 5.374 8.703 -13.536 1.00 0.00 H new ATOM 1975 N LYS A 125 1.300 2.762 -9.129 1.00 0.00 N ATOM 1976 CA LYS A 125 0.594 1.479 -9.136 1.00 0.00 C ATOM 1977 C LYS A 125 0.210 1.049 -10.549 1.00 0.00 C ATOM 1978 O LYS A 125 0.177 -0.156 -10.807 1.00 0.00 O ATOM 1979 CB LYS A 125 -0.661 1.551 -8.243 1.00 0.00 C ATOM 1980 CG LYS A 125 -0.384 2.103 -6.832 1.00 0.00 C ATOM 1981 CD LYS A 125 -1.633 2.087 -5.939 1.00 0.00 C ATOM 1982 CE LYS A 125 -1.945 0.723 -5.301 1.00 0.00 C ATOM 1983 NZ LYS A 125 -0.925 0.315 -4.302 1.00 0.00 N ATOM 0 H LYS A 125 0.803 3.498 -9.631 1.00 0.00 H new ATOM 0 HA LYS A 125 1.276 0.729 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -1.407 2.179 -8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -1.092 0.554 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.402 1.512 -6.362 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.011 3.124 -6.912 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.506 2.824 -5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.492 2.401 -6.532 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.923 0.765 -4.821 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.007 -0.034 -6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.263 -0.520 -3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -0.036 0.083 -4.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.761 1.096 -3.635 1.00 0.00 H new ATOM 1997 N PHE A 126 -0.073 1.992 -11.459 1.00 0.00 N ATOM 1998 CA PHE A 126 -0.226 1.643 -12.869 1.00 0.00 C ATOM 1999 C PHE A 126 1.146 1.217 -13.397 1.00 0.00 C ATOM 2000 O PHE A 126 1.219 0.198 -14.114 1.00 0.00 O ATOM 2001 CB PHE A 126 -0.819 2.801 -13.680 1.00 0.00 C ATOM 2002 CG PHE A 126 -2.317 2.689 -13.909 1.00 0.00 C ATOM 2003 CD1 PHE A 126 -3.230 3.207 -12.969 1.00 0.00 C ATOM 2004 CD2 PHE A 126 -2.801 2.066 -15.076 1.00 0.00 C ATOM 2005 CE1 PHE A 126 -4.615 3.117 -13.207 1.00 0.00 C ATOM 2006 CE2 PHE A 126 -4.185 1.969 -15.307 1.00 0.00 C ATOM 2007 CZ PHE A 126 -5.094 2.499 -14.376 1.00 0.00 C ATOM 2008 OXT PHE A 126 2.148 1.902 -13.098 1.00 0.00 O ATOM 0 H PHE A 126 -0.198 2.982 -11.246 1.00 0.00 H new ATOM 0 HA PHE A 126 -0.932 0.820 -12.974 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -0.609 3.738 -13.164 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -0.316 2.850 -14.646 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -2.867 3.674 -12.065 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -2.106 1.661 -15.797 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -5.312 3.524 -12.489 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -4.550 1.486 -16.202 1.00 0.00 H new ATOM 0 HZ PHE A 126 -6.157 2.432 -14.557 1.00 0.00 H new TER 2018 PHE A 126