USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 610 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 39 ASN :FLIP amide:sc= 0.246 F(o=-0.96,f=0.9) USER MOD Set 1.2: A 41 SER OG : rot 87:sc= 0.655 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.00284 (180deg=-0.0191) USER MOD Single : A 2 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00977) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.938 K(o=0.94,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.19) USER MOD Single : A 16 ASN : amide:sc= 1.13 K(o=1.1,f=-0.016) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc=-0.00364 X(o=-0.0036,f=-0.27) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.95) USER MOD Single : A 34 MET CE :methyl 163:sc= -0.385 (180deg=-0.953) USER MOD Single : A 36 GLN : amide:sc= 0.566 K(o=0.57,f=-0.12) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0118) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 75:sc= 0.479 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 138:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.790 8.504 -1.710 1.00 0.00 N ATOM 2 CA MET A 1 12.920 7.430 -1.202 1.00 0.00 C ATOM 3 C MET A 1 13.457 6.972 0.142 1.00 0.00 C ATOM 4 O MET A 1 14.651 6.694 0.249 1.00 0.00 O ATOM 5 CB MET A 1 12.782 6.245 -2.184 1.00 0.00 C ATOM 6 CG MET A 1 14.111 5.651 -2.666 1.00 0.00 C ATOM 7 SD MET A 1 13.978 4.297 -3.859 1.00 0.00 S ATOM 8 CE MET A 1 15.631 4.433 -4.606 1.00 0.00 C ATOM 0 H1 MET A 1 13.845 8.445 -2.747 1.00 0.00 H new ATOM 0 H2 MET A 1 13.398 9.427 -1.436 1.00 0.00 H new ATOM 0 H3 MET A 1 14.743 8.399 -1.306 1.00 0.00 H new ATOM 0 HA MET A 1 11.912 7.830 -1.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.202 5.458 -1.702 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.212 6.575 -3.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.703 6.449 -3.114 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.664 5.293 -1.798 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.746 3.671 -5.377 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.749 5.421 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.391 4.288 -3.838 1.00 0.00 H new ATOM 18 N LYS A 2 12.625 6.878 1.184 1.00 0.00 N ATOM 19 CA LYS A 2 13.028 6.260 2.445 1.00 0.00 C ATOM 20 C LYS A 2 11.799 5.689 3.139 1.00 0.00 C ATOM 21 O LYS A 2 10.670 6.044 2.789 1.00 0.00 O ATOM 22 CB LYS A 2 13.799 7.269 3.314 1.00 0.00 C ATOM 23 CG LYS A 2 14.744 6.568 4.303 1.00 0.00 C ATOM 24 CD LYS A 2 15.778 7.519 4.921 1.00 0.00 C ATOM 25 CE LYS A 2 16.828 8.063 3.935 1.00 0.00 C ATOM 26 NZ LYS A 2 17.655 7.013 3.298 1.00 0.00 N ATOM 0 H LYS A 2 11.666 7.224 1.176 1.00 0.00 H new ATOM 0 HA LYS A 2 13.713 5.432 2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 2 14.375 7.936 2.672 1.00 0.00 H new ATOM 0 HB3 LYS A 2 13.092 7.889 3.865 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.155 6.113 5.100 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.264 5.759 3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 2 15.252 8.361 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 2 16.294 6.998 5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.320 8.633 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 2 17.483 8.757 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.360 7.457 2.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.141 6.461 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.046 6.383 2.738 1.00 0.00 H new ATOM 40 N ALA A 3 12.023 4.803 4.104 1.00 0.00 N ATOM 41 CA ALA A 3 11.026 4.138 4.909 1.00 0.00 C ATOM 42 C ALA A 3 11.330 4.505 6.341 1.00 0.00 C ATOM 43 O ALA A 3 10.710 5.401 6.899 1.00 0.00 O ATOM 44 CB ALA A 3 11.085 2.622 4.647 1.00 0.00 C ATOM 0 H ALA A 3 12.970 4.518 4.354 1.00 0.00 H new ATOM 0 HA ALA A 3 10.009 4.445 4.667 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.333 2.118 5.254 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.890 2.427 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.074 2.246 4.909 1.00 0.00 H new ATOM 50 N SER A 4 12.296 3.784 6.906 1.00 0.00 N ATOM 51 CA SER A 4 12.628 3.599 8.301 1.00 0.00 C ATOM 52 C SER A 4 11.469 2.966 9.053 1.00 0.00 C ATOM 53 O SER A 4 11.636 1.904 9.640 1.00 0.00 O ATOM 54 CB SER A 4 13.161 4.899 8.914 1.00 0.00 C ATOM 55 OG SER A 4 13.838 4.623 10.120 1.00 0.00 O ATOM 0 H SER A 4 12.938 3.254 6.316 1.00 0.00 H new ATOM 0 HA SER A 4 13.448 2.887 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.836 5.391 8.213 1.00 0.00 H new ATOM 0 HB3 SER A 4 12.337 5.588 9.100 1.00 0.00 H new ATOM 0 HG SER A 4 14.177 5.459 10.504 1.00 0.00 H new ATOM 61 N GLU A 5 10.285 3.543 8.948 1.00 0.00 N ATOM 62 CA GLU A 5 9.077 3.054 9.602 1.00 0.00 C ATOM 63 C GLU A 5 8.584 1.792 8.883 1.00 0.00 C ATOM 64 O GLU A 5 8.446 0.732 9.475 1.00 0.00 O ATOM 65 CB GLU A 5 8.037 4.188 9.684 1.00 0.00 C ATOM 66 CG GLU A 5 7.527 4.658 8.315 1.00 0.00 C ATOM 67 CD GLU A 5 6.979 6.084 8.345 1.00 0.00 C ATOM 68 OE1 GLU A 5 7.802 7.018 8.255 1.00 0.00 O ATOM 69 OE2 GLU A 5 5.737 6.252 8.371 1.00 0.00 O ATOM 0 H GLU A 5 10.130 4.385 8.393 1.00 0.00 H new ATOM 0 HA GLU A 5 9.277 2.758 10.632 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.190 3.850 10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.478 5.036 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.339 4.601 7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 5 6.745 3.980 7.971 1.00 0.00 H new ATOM 76 N LEU A 6 8.412 1.847 7.563 1.00 0.00 N ATOM 77 CA LEU A 6 7.809 0.754 6.791 1.00 0.00 C ATOM 78 C LEU A 6 8.708 -0.472 6.655 1.00 0.00 C ATOM 79 O LEU A 6 8.264 -1.518 6.186 1.00 0.00 O ATOM 80 CB LEU A 6 7.447 1.280 5.395 1.00 0.00 C ATOM 81 CG LEU A 6 6.086 1.991 5.312 1.00 0.00 C ATOM 82 CD1 LEU A 6 5.871 2.500 3.883 1.00 0.00 C ATOM 83 CD2 LEU A 6 4.925 1.073 5.680 1.00 0.00 C ATOM 0 H LEU A 6 8.686 2.649 6.996 1.00 0.00 H new ATOM 0 HA LEU A 6 6.925 0.425 7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.224 1.972 5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.449 0.445 4.695 1.00 0.00 H new ATOM 0 HG LEU A 6 6.105 2.813 6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.907 3.005 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.666 3.199 3.622 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.887 1.658 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.988 1.624 5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.902 0.224 4.997 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.054 0.714 6.701 1.00 0.00 H new ATOM 95 N ARG A 7 9.976 -0.361 7.042 1.00 0.00 N ATOM 96 CA ARG A 7 10.891 -1.480 7.141 1.00 0.00 C ATOM 97 C ARG A 7 11.121 -1.943 8.580 1.00 0.00 C ATOM 98 O ARG A 7 11.859 -2.897 8.807 1.00 0.00 O ATOM 99 CB ARG A 7 12.171 -1.049 6.448 1.00 0.00 C ATOM 100 CG ARG A 7 13.071 -0.057 7.197 1.00 0.00 C ATOM 101 CD ARG A 7 14.278 -0.761 7.838 1.00 0.00 C ATOM 102 NE ARG A 7 14.794 -0.057 9.022 1.00 0.00 N ATOM 103 CZ ARG A 7 15.079 -0.604 10.213 1.00 0.00 C ATOM 104 NH1 ARG A 7 14.921 -1.903 10.462 1.00 0.00 N ATOM 105 NH2 ARG A 7 15.536 0.193 11.164 1.00 0.00 N ATOM 0 H ARG A 7 10.399 0.531 7.300 1.00 0.00 H new ATOM 0 HA ARG A 7 10.468 -2.359 6.655 1.00 0.00 H new ATOM 0 HB2 ARG A 7 12.757 -1.943 6.234 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.904 -0.606 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.421 0.710 6.507 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.492 0.449 7.969 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.992 -1.774 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.074 -0.849 7.099 1.00 0.00 H new ATOM 0 HE ARG A 7 14.951 0.947 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.571 -2.523 9.732 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.150 -2.277 11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 7 15.661 1.188 10.979 1.00 0.00 H new ATOM 0 HH22 ARG A 7 15.764 -0.187 12.083 1.00 0.00 H new ATOM 119 N ASN A 8 10.546 -1.225 9.536 1.00 0.00 N ATOM 120 CA ASN A 8 10.710 -1.469 10.976 1.00 0.00 C ATOM 121 C ASN A 8 9.803 -2.581 11.501 1.00 0.00 C ATOM 122 O ASN A 8 10.094 -3.118 12.562 1.00 0.00 O ATOM 123 CB ASN A 8 10.391 -0.207 11.804 1.00 0.00 C ATOM 124 CG ASN A 8 11.525 0.232 12.702 1.00 0.00 C ATOM 125 OD1 ASN A 8 11.563 -0.051 13.894 1.00 0.00 O ATOM 126 ND2 ASN A 8 12.473 0.979 12.164 1.00 0.00 N ATOM 0 H ASN A 8 9.935 -0.434 9.333 1.00 0.00 H new ATOM 0 HA ASN A 8 11.754 -1.762 11.090 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.140 0.608 11.126 1.00 0.00 H new ATOM 0 HB3 ASN A 8 9.508 -0.397 12.415 1.00 0.00 H new ATOM 0 HD21 ASN A 8 13.241 1.323 12.741 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.437 1.212 11.172 1.00 0.00 H new ATOM 133 N TYR A 9 8.687 -2.870 10.821 1.00 0.00 N ATOM 134 CA TYR A 9 7.652 -3.776 11.281 1.00 0.00 C ATOM 135 C TYR A 9 8.178 -5.218 11.407 1.00 0.00 C ATOM 136 O TYR A 9 9.283 -5.508 10.943 1.00 0.00 O ATOM 137 CB TYR A 9 6.412 -3.551 10.400 1.00 0.00 C ATOM 138 CG TYR A 9 5.724 -2.231 10.669 1.00 0.00 C ATOM 139 CD1 TYR A 9 4.800 -2.089 11.718 1.00 0.00 C ATOM 140 CD2 TYR A 9 6.049 -1.128 9.862 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.215 -0.834 11.968 1.00 0.00 C ATOM 142 CE2 TYR A 9 5.473 0.127 10.112 1.00 0.00 C ATOM 143 CZ TYR A 9 4.557 0.283 11.171 1.00 0.00 C ATOM 144 OH TYR A 9 4.036 1.514 11.410 1.00 0.00 O ATOM 0 H TYR A 9 8.482 -2.462 9.909 1.00 0.00 H new ATOM 0 HA TYR A 9 7.337 -3.567 12.303 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.706 -3.593 9.351 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.704 -4.363 10.565 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.540 -2.940 12.330 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.746 -1.246 9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.502 -0.723 12.772 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.732 0.973 9.493 1.00 0.00 H new ATOM 0 HH TYR A 9 4.392 2.152 10.757 1.00 0.00 H new ATOM 154 N THR A 10 7.432 -6.118 12.051 1.00 0.00 N ATOM 155 CA THR A 10 7.776 -7.538 12.092 1.00 0.00 C ATOM 156 C THR A 10 7.409 -8.194 10.768 1.00 0.00 C ATOM 157 O THR A 10 6.598 -7.627 10.053 1.00 0.00 O ATOM 158 CB THR A 10 6.975 -8.228 13.183 1.00 0.00 C ATOM 159 OG1 THR A 10 5.586 -8.025 13.013 1.00 0.00 O ATOM 160 CG2 THR A 10 7.341 -7.732 14.578 1.00 0.00 C ATOM 0 H THR A 10 6.577 -5.883 12.556 1.00 0.00 H new ATOM 0 HA THR A 10 8.845 -7.630 12.283 1.00 0.00 H new ATOM 0 HB THR A 10 7.222 -9.286 13.096 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.098 -8.483 13.729 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.740 -8.257 15.320 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.398 -7.922 14.766 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.147 -6.661 14.646 1.00 0.00 H new ATOM 168 N ASP A 11 7.901 -9.394 10.436 1.00 0.00 N ATOM 169 CA ASP A 11 7.609 -10.009 9.130 1.00 0.00 C ATOM 170 C ASP A 11 6.109 -10.086 8.864 1.00 0.00 C ATOM 171 O ASP A 11 5.678 -9.783 7.754 1.00 0.00 O ATOM 172 CB ASP A 11 8.204 -11.410 8.988 1.00 0.00 C ATOM 173 CG ASP A 11 9.607 -11.386 8.392 1.00 0.00 C ATOM 174 OD1 ASP A 11 10.587 -11.175 9.142 1.00 0.00 O ATOM 175 OD2 ASP A 11 9.764 -11.571 7.163 1.00 0.00 O ATOM 0 H ASP A 11 8.497 -9.955 11.044 1.00 0.00 H new ATOM 0 HA ASP A 11 8.079 -9.357 8.394 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.236 -11.890 9.966 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.554 -12.016 8.357 1.00 0.00 H new ATOM 180 N GLU A 12 5.325 -10.444 9.884 1.00 0.00 N ATOM 181 CA GLU A 12 3.876 -10.512 9.779 1.00 0.00 C ATOM 182 C GLU A 12 3.253 -9.134 9.583 1.00 0.00 C ATOM 183 O GLU A 12 2.339 -8.997 8.780 1.00 0.00 O ATOM 184 CB GLU A 12 3.269 -11.171 11.025 1.00 0.00 C ATOM 185 CG GLU A 12 2.602 -12.501 10.668 1.00 0.00 C ATOM 186 CD GLU A 12 3.633 -13.549 10.263 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.204 -14.180 11.180 1.00 0.00 O ATOM 188 OE2 GLU A 12 3.887 -13.741 9.049 1.00 0.00 O ATOM 0 H GLU A 12 5.684 -10.694 10.805 1.00 0.00 H new ATOM 0 HA GLU A 12 3.653 -11.118 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.048 -11.338 11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.536 -10.501 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.029 -12.863 11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.896 -12.348 9.852 1.00 0.00 H new ATOM 195 N GLU A 13 3.695 -8.114 10.313 1.00 0.00 N ATOM 196 CA GLU A 13 3.173 -6.766 10.139 1.00 0.00 C ATOM 197 C GLU A 13 3.578 -6.215 8.786 1.00 0.00 C ATOM 198 O GLU A 13 2.798 -5.576 8.098 1.00 0.00 O ATOM 199 CB GLU A 13 3.673 -5.865 11.263 1.00 0.00 C ATOM 200 CG GLU A 13 2.776 -6.007 12.483 1.00 0.00 C ATOM 201 CD GLU A 13 1.452 -5.259 12.279 1.00 0.00 C ATOM 202 OE1 GLU A 13 0.506 -5.810 11.671 1.00 0.00 O ATOM 203 OE2 GLU A 13 1.350 -4.107 12.745 1.00 0.00 O ATOM 0 H GLU A 13 4.414 -8.198 11.031 1.00 0.00 H new ATOM 0 HA GLU A 13 2.084 -6.799 10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.698 -6.129 11.523 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.686 -4.827 10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.577 -7.062 12.672 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.287 -5.616 13.363 1.00 0.00 H new ATOM 210 N LEU A 14 4.793 -6.502 8.354 1.00 0.00 N ATOM 211 CA LEU A 14 5.358 -6.001 7.127 1.00 0.00 C ATOM 212 C LEU A 14 4.684 -6.531 5.874 1.00 0.00 C ATOM 213 O LEU A 14 4.954 -5.976 4.818 1.00 0.00 O ATOM 214 CB LEU A 14 6.827 -6.400 7.007 1.00 0.00 C ATOM 215 CG LEU A 14 7.833 -5.794 7.999 1.00 0.00 C ATOM 216 CD1 LEU A 14 9.082 -6.672 8.138 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.282 -4.391 7.632 1.00 0.00 C ATOM 0 H LEU A 14 5.429 -7.111 8.869 1.00 0.00 H new ATOM 0 HA LEU A 14 5.216 -4.922 7.186 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.885 -7.485 7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.159 -6.145 6.000 1.00 0.00 H new ATOM 0 HG LEU A 14 7.292 -5.743 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.772 -6.214 8.847 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.794 -7.660 8.498 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.569 -6.768 7.168 1.00 0.00 H new ATOM 0 HD21 LEU A 14 8.990 -4.029 8.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 8.761 -4.407 6.653 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.417 -3.728 7.602 1.00 0.00 H new ATOM 229 N LYS A 15 3.869 -7.577 5.944 1.00 0.00 N ATOM 230 CA LYS A 15 2.916 -7.996 4.929 1.00 0.00 C ATOM 231 C LYS A 15 1.535 -7.551 5.330 1.00 0.00 C ATOM 232 O LYS A 15 0.887 -6.950 4.492 1.00 0.00 O ATOM 233 CB LYS A 15 3.004 -9.520 4.699 1.00 0.00 C ATOM 234 CG LYS A 15 2.970 -10.428 5.953 1.00 0.00 C ATOM 235 CD LYS A 15 1.590 -10.953 6.418 1.00 0.00 C ATOM 236 CE LYS A 15 1.145 -12.291 5.813 1.00 0.00 C ATOM 237 NZ LYS A 15 0.891 -12.200 4.365 1.00 0.00 N ATOM 0 H LYS A 15 3.857 -8.190 6.759 1.00 0.00 H new ATOM 0 HA LYS A 15 3.156 -7.525 3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.180 -9.812 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.927 -9.727 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.611 -11.289 5.762 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.416 -9.876 6.780 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.608 -11.055 7.503 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.838 -10.201 6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.913 -13.042 5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.240 -12.630 6.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.419 -13.068 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.281 -11.381 4.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.793 -12.087 3.861 1.00 0.00 H new ATOM 251 N ASN A 16 1.096 -7.729 6.573 1.00 0.00 N ATOM 252 CA ASN A 16 -0.227 -7.319 7.042 1.00 0.00 C ATOM 253 C ASN A 16 -0.460 -5.818 6.880 1.00 0.00 C ATOM 254 O ASN A 16 -1.604 -5.365 6.941 1.00 0.00 O ATOM 255 CB ASN A 16 -0.348 -7.714 8.509 1.00 0.00 C ATOM 256 CG ASN A 16 -1.705 -7.427 9.126 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.730 -7.909 8.647 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.724 -6.732 10.245 1.00 0.00 N ATOM 0 H ASN A 16 1.661 -8.171 7.298 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.985 -7.818 6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.137 -8.779 8.604 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.416 -7.185 9.079 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.605 -6.582 10.737 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.858 -6.344 10.619 1.00 0.00 H new ATOM 265 N LEU A 17 0.607 -5.050 6.635 1.00 0.00 N ATOM 266 CA LEU A 17 0.468 -3.645 6.301 1.00 0.00 C ATOM 267 C LEU A 17 0.110 -3.532 4.853 1.00 0.00 C ATOM 268 O LEU A 17 -0.896 -2.949 4.445 1.00 0.00 O ATOM 269 CB LEU A 17 1.707 -2.824 6.698 1.00 0.00 C ATOM 270 CG LEU A 17 3.130 -2.987 6.133 1.00 0.00 C ATOM 271 CD1 LEU A 17 3.397 -2.079 4.933 1.00 0.00 C ATOM 272 CD2 LEU A 17 4.151 -2.542 7.195 1.00 0.00 C ATOM 0 H LEU A 17 1.570 -5.385 6.664 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.340 -3.206 6.887 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.438 -1.783 6.518 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.805 -2.946 7.777 1.00 0.00 H new ATOM 0 HG LEU A 17 3.221 -4.034 5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.415 -2.237 4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.693 -2.314 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.274 -1.038 5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.160 -2.656 6.799 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.977 -1.497 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.040 -3.158 8.087 1.00 0.00 H new ATOM 284 N LEU A 18 0.994 -4.106 4.062 1.00 0.00 N ATOM 285 CA LEU A 18 0.966 -3.830 2.653 1.00 0.00 C ATOM 286 C LEU A 18 -0.187 -4.537 1.982 1.00 0.00 C ATOM 287 O LEU A 18 -0.700 -4.055 0.975 1.00 0.00 O ATOM 288 CB LEU A 18 2.239 -4.226 1.931 1.00 0.00 C ATOM 289 CG LEU A 18 3.572 -4.545 2.601 1.00 0.00 C ATOM 290 CD1 LEU A 18 4.011 -5.883 2.021 1.00 0.00 C ATOM 291 CD2 LEU A 18 4.722 -3.586 2.268 1.00 0.00 C ATOM 0 H LEU A 18 1.722 -4.751 4.368 1.00 0.00 H new ATOM 0 HA LEU A 18 0.854 -2.748 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.985 -5.106 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.445 -3.419 1.228 1.00 0.00 H new ATOM 0 HG LEU A 18 3.402 -4.499 3.677 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.965 -6.174 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.261 -6.641 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.121 -5.793 0.940 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.623 -3.901 2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.906 -3.598 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.455 -2.576 2.579 1.00 0.00 H new ATOM 303 N GLU A 19 -0.508 -5.721 2.475 1.00 0.00 N ATOM 304 CA GLU A 19 -1.547 -6.574 1.952 1.00 0.00 C ATOM 305 C GLU A 19 -2.904 -5.902 2.147 1.00 0.00 C ATOM 306 O GLU A 19 -3.804 -6.104 1.323 1.00 0.00 O ATOM 307 CB GLU A 19 -1.417 -7.957 2.616 1.00 0.00 C ATOM 308 CG GLU A 19 -2.247 -8.178 3.885 1.00 0.00 C ATOM 309 CD GLU A 19 -2.054 -9.577 4.486 1.00 0.00 C ATOM 310 OE1 GLU A 19 -1.107 -10.314 4.118 1.00 0.00 O ATOM 311 OE2 GLU A 19 -2.898 -9.960 5.324 1.00 0.00 O ATOM 0 H GLU A 19 -0.031 -6.124 3.281 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.449 -6.729 0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.699 -8.716 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.368 -8.123 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.974 -7.428 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.302 -8.029 3.654 1.00 0.00 H new ATOM 318 N GLU A 20 -3.051 -5.089 3.203 1.00 0.00 N ATOM 319 CA GLU A 20 -4.269 -4.343 3.443 1.00 0.00 C ATOM 320 C GLU A 20 -4.344 -3.147 2.492 1.00 0.00 C ATOM 321 O GLU A 20 -5.315 -3.027 1.755 1.00 0.00 O ATOM 322 CB GLU A 20 -4.445 -3.938 4.910 1.00 0.00 C ATOM 323 CG GLU A 20 -5.941 -3.628 5.102 1.00 0.00 C ATOM 324 CD GLU A 20 -6.282 -3.060 6.473 1.00 0.00 C ATOM 325 OE1 GLU A 20 -5.714 -2.012 6.841 1.00 0.00 O ATOM 326 OE2 GLU A 20 -7.187 -3.634 7.125 1.00 0.00 O ATOM 0 H GLU A 20 -2.326 -4.939 3.905 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.110 -5.003 3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.127 -4.741 5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.835 -3.067 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.256 -2.918 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.514 -4.542 4.945 1.00 0.00 H new ATOM 333 N LYS A 21 -3.315 -2.299 2.413 1.00 0.00 N ATOM 334 CA LYS A 21 -3.295 -1.148 1.527 1.00 0.00 C ATOM 335 C LYS A 21 -3.532 -1.644 0.094 1.00 0.00 C ATOM 336 O LYS A 21 -4.481 -1.207 -0.562 1.00 0.00 O ATOM 337 CB LYS A 21 -1.974 -0.378 1.752 1.00 0.00 C ATOM 338 CG LYS A 21 -1.785 0.104 3.208 1.00 0.00 C ATOM 339 CD LYS A 21 -2.507 1.406 3.584 1.00 0.00 C ATOM 340 CE LYS A 21 -1.670 2.629 3.178 1.00 0.00 C ATOM 341 NZ LYS A 21 -1.654 3.670 4.226 1.00 0.00 N ATOM 0 H LYS A 21 -2.467 -2.399 2.971 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.091 -0.432 1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.137 -1.020 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.946 0.484 1.085 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.127 -0.685 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.719 0.237 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.478 1.444 3.091 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.693 1.427 4.658 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.648 2.313 2.967 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.070 3.051 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.902 4.358 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.573 4.157 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.476 3.229 5.151 1.00 0.00 H new ATOM 355 N LYS A 22 -2.709 -2.575 -0.411 1.00 0.00 N ATOM 356 CA LYS A 22 -2.892 -3.212 -1.713 1.00 0.00 C ATOM 357 C LYS A 22 -4.326 -3.701 -1.954 1.00 0.00 C ATOM 358 O LYS A 22 -4.812 -3.458 -3.066 1.00 0.00 O ATOM 359 CB LYS A 22 -1.860 -4.346 -1.836 1.00 0.00 C ATOM 360 CG LYS A 22 -1.881 -5.124 -3.157 1.00 0.00 C ATOM 361 CD LYS A 22 -0.752 -6.162 -3.220 1.00 0.00 C ATOM 362 CE LYS A 22 -0.930 -7.060 -4.445 1.00 0.00 C ATOM 363 NZ LYS A 22 0.157 -8.053 -4.588 1.00 0.00 N ATOM 0 H LYS A 22 -1.884 -2.909 0.087 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.726 -2.471 -2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.865 -3.923 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.021 -5.049 -1.019 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.843 -5.624 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.784 -4.429 -3.991 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.213 -5.658 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.753 -6.767 -2.313 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.885 -7.581 -4.373 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.971 -6.441 -5.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.013 -8.635 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.067 -7.560 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.182 -8.664 -3.747 1.00 0.00 H new ATOM 377 N ARG A 23 -5.004 -4.363 -0.995 1.00 0.00 N ATOM 378 CA ARG A 23 -6.407 -4.721 -1.217 1.00 0.00 C ATOM 379 C ARG A 23 -7.257 -3.465 -1.263 1.00 0.00 C ATOM 380 O ARG A 23 -7.933 -3.263 -2.260 1.00 0.00 O ATOM 381 CB ARG A 23 -6.983 -5.789 -0.261 1.00 0.00 C ATOM 382 CG ARG A 23 -7.295 -5.392 1.189 1.00 0.00 C ATOM 383 CD ARG A 23 -7.848 -6.527 2.056 1.00 0.00 C ATOM 384 NE ARG A 23 -9.113 -7.069 1.549 1.00 0.00 N ATOM 385 CZ ARG A 23 -9.930 -7.941 2.147 1.00 0.00 C ATOM 386 NH1 ARG A 23 -9.694 -8.377 3.377 1.00 0.00 N ATOM 387 NH2 ARG A 23 -10.987 -8.377 1.480 1.00 0.00 N ATOM 0 H ARG A 23 -4.617 -4.649 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.439 -5.220 -2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.904 -6.167 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.278 -6.620 -0.231 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -6.385 -5.010 1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.016 -4.574 1.181 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -7.111 -7.328 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -7.997 -6.162 3.072 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.404 -6.741 0.628 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.875 -8.047 3.887 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.332 -9.043 3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.163 -8.047 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.625 -9.043 1.915 1.00 0.00 H new ATOM 401 N GLN A 24 -7.201 -2.619 -0.234 1.00 0.00 N ATOM 402 CA GLN A 24 -8.026 -1.444 -0.039 1.00 0.00 C ATOM 403 C GLN A 24 -8.124 -0.653 -1.321 1.00 0.00 C ATOM 404 O GLN A 24 -9.222 -0.395 -1.772 1.00 0.00 O ATOM 405 CB GLN A 24 -7.445 -0.553 1.064 1.00 0.00 C ATOM 406 CG GLN A 24 -7.991 -0.837 2.463 1.00 0.00 C ATOM 407 CD GLN A 24 -8.357 0.435 3.214 1.00 0.00 C ATOM 408 OE1 GLN A 24 -9.400 1.035 2.958 1.00 0.00 O ATOM 409 NE2 GLN A 24 -7.493 0.899 4.099 1.00 0.00 N ATOM 0 H GLN A 24 -6.535 -2.751 0.527 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.021 -1.776 0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.362 -0.675 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.645 0.489 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.872 -1.474 2.384 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.247 -1.391 3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.635 0.383 4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.684 1.774 4.588 1.00 0.00 H new ATOM 418 N LEU A 25 -7.015 -0.307 -1.968 1.00 0.00 N ATOM 419 CA LEU A 25 -7.082 0.444 -3.217 1.00 0.00 C ATOM 420 C LEU A 25 -8.005 -0.226 -4.238 1.00 0.00 C ATOM 421 O LEU A 25 -8.864 0.436 -4.822 1.00 0.00 O ATOM 422 CB LEU A 25 -5.649 0.582 -3.700 1.00 0.00 C ATOM 423 CG LEU A 25 -5.365 1.138 -5.101 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.540 0.111 -6.221 1.00 0.00 C ATOM 425 CD2 LEU A 25 -6.158 2.412 -5.392 1.00 0.00 C ATOM 0 H LEU A 25 -6.071 -0.531 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.524 1.429 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.125 1.218 -2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.191 -0.405 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.306 1.397 -5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.322 0.579 -7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.857 -0.723 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.566 -0.256 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.922 2.766 -6.396 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.225 2.200 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.893 3.180 -4.665 1.00 0.00 H new ATOM 437 N MET A 26 -7.844 -1.530 -4.440 1.00 0.00 N ATOM 438 CA MET A 26 -8.661 -2.332 -5.325 1.00 0.00 C ATOM 439 C MET A 26 -10.115 -2.449 -4.830 1.00 0.00 C ATOM 440 O MET A 26 -11.017 -2.603 -5.657 1.00 0.00 O ATOM 441 CB MET A 26 -7.959 -3.690 -5.492 1.00 0.00 C ATOM 442 CG MET A 26 -8.911 -4.813 -5.879 1.00 0.00 C ATOM 443 SD MET A 26 -8.143 -6.361 -6.405 1.00 0.00 S ATOM 444 CE MET A 26 -9.636 -7.355 -6.670 1.00 0.00 C ATOM 0 H MET A 26 -7.115 -2.069 -3.973 1.00 0.00 H new ATOM 0 HA MET A 26 -8.752 -1.853 -6.300 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.184 -3.600 -6.254 1.00 0.00 H new ATOM 0 HB3 MET A 26 -7.460 -3.951 -4.559 1.00 0.00 H new ATOM 0 HG2 MET A 26 -9.558 -5.023 -5.027 1.00 0.00 H new ATOM 0 HG3 MET A 26 -9.552 -4.457 -6.686 1.00 0.00 H new ATOM 0 HE1 MET A 26 -9.354 -8.354 -7.002 1.00 0.00 H new ATOM 0 HE2 MET A 26 -10.196 -7.427 -5.737 1.00 0.00 H new ATOM 0 HE3 MET A 26 -10.258 -6.882 -7.431 1.00 0.00 H new ATOM 454 N GLU A 27 -10.373 -2.375 -3.525 1.00 0.00 N ATOM 455 CA GLU A 27 -11.724 -2.584 -2.966 1.00 0.00 C ATOM 456 C GLU A 27 -12.487 -1.264 -2.908 1.00 0.00 C ATOM 457 O GLU A 27 -13.694 -1.204 -3.098 1.00 0.00 O ATOM 458 CB GLU A 27 -11.710 -3.197 -1.552 1.00 0.00 C ATOM 459 CG GLU A 27 -10.708 -4.347 -1.380 1.00 0.00 C ATOM 460 CD GLU A 27 -11.197 -5.553 -0.580 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.107 -5.430 0.267 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.585 -6.632 -0.742 1.00 0.00 O ATOM 0 H GLU A 27 -9.662 -2.170 -2.823 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.215 -3.290 -3.635 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.477 -2.414 -0.830 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.710 -3.561 -1.315 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.408 -4.691 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.815 -3.953 -0.895 1.00 0.00 H new ATOM 469 N LEU A 28 -11.779 -0.167 -2.703 1.00 0.00 N ATOM 470 CA LEU A 28 -12.319 1.166 -2.695 1.00 0.00 C ATOM 471 C LEU A 28 -12.671 1.561 -4.122 1.00 0.00 C ATOM 472 O LEU A 28 -13.786 2.006 -4.375 1.00 0.00 O ATOM 473 CB LEU A 28 -11.307 2.092 -2.030 1.00 0.00 C ATOM 474 CG LEU A 28 -11.024 1.808 -0.540 1.00 0.00 C ATOM 475 CD1 LEU A 28 -9.893 2.741 -0.114 1.00 0.00 C ATOM 476 CD2 LEU A 28 -12.227 1.944 0.388 1.00 0.00 C ATOM 0 H LEU A 28 -10.774 -0.190 -2.532 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.241 1.234 -2.117 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.367 2.028 -2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.663 3.118 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.749 0.757 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.659 2.573 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.009 2.540 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.202 3.776 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.924 1.724 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.614 2.961 0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.004 1.244 0.082 1.00 0.00 H new ATOM 488 N ARG A 29 -11.814 1.288 -5.110 1.00 0.00 N ATOM 489 CA ARG A 29 -12.231 1.486 -6.513 1.00 0.00 C ATOM 490 C ARG A 29 -13.494 0.685 -6.847 1.00 0.00 C ATOM 491 O ARG A 29 -14.273 1.109 -7.698 1.00 0.00 O ATOM 492 CB ARG A 29 -11.114 1.215 -7.535 1.00 0.00 C ATOM 493 CG ARG A 29 -10.669 -0.246 -7.598 1.00 0.00 C ATOM 494 CD ARG A 29 -9.697 -0.521 -8.749 1.00 0.00 C ATOM 495 NE ARG A 29 -10.373 -1.152 -9.893 1.00 0.00 N ATOM 496 CZ ARG A 29 -9.757 -1.702 -10.943 1.00 0.00 C ATOM 497 NH1 ARG A 29 -8.511 -1.348 -11.249 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.398 -2.615 -11.663 1.00 0.00 N ATOM 0 H ARG A 29 -10.863 0.943 -4.981 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.466 2.547 -6.599 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.457 1.522 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.253 1.836 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.194 -0.518 -6.655 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.546 -0.884 -7.709 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.237 0.414 -9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.893 -1.168 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.393 -1.171 -9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.024 -0.655 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.043 -1.770 -12.051 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.348 -2.888 -11.412 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.940 -3.044 -12.468 1.00 0.00 H new ATOM 512 N PHE A 30 -13.701 -0.439 -6.160 1.00 0.00 N ATOM 513 CA PHE A 30 -14.848 -1.316 -6.285 1.00 0.00 C ATOM 514 C PHE A 30 -16.055 -0.712 -5.552 1.00 0.00 C ATOM 515 O PHE A 30 -17.180 -0.975 -5.963 1.00 0.00 O ATOM 516 CB PHE A 30 -14.392 -2.704 -5.778 1.00 0.00 C ATOM 517 CG PHE A 30 -15.384 -3.677 -5.172 1.00 0.00 C ATOM 518 CD1 PHE A 30 -16.001 -3.376 -3.942 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.541 -4.961 -5.730 1.00 0.00 C ATOM 520 CE1 PHE A 30 -16.784 -4.333 -3.285 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.304 -5.932 -5.059 1.00 0.00 C ATOM 522 CZ PHE A 30 -16.922 -5.613 -3.838 1.00 0.00 C ATOM 0 H PHE A 30 -13.032 -0.773 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.194 -1.432 -7.312 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.919 -3.212 -6.619 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.616 -2.533 -5.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.869 -2.399 -3.502 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.075 -5.199 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -17.279 -4.086 -2.357 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.415 -6.920 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.507 -6.360 -3.322 1.00 0.00 H new ATOM 532 N GLN A 31 -15.866 0.148 -4.539 1.00 0.00 N ATOM 533 CA GLN A 31 -16.939 0.803 -3.823 1.00 0.00 C ATOM 534 C GLN A 31 -17.434 1.932 -4.702 1.00 0.00 C ATOM 535 O GLN A 31 -18.629 2.172 -4.799 1.00 0.00 O ATOM 536 CB GLN A 31 -16.423 1.341 -2.486 1.00 0.00 C ATOM 537 CG GLN A 31 -16.249 0.215 -1.457 1.00 0.00 C ATOM 538 CD GLN A 31 -17.360 0.183 -0.404 1.00 0.00 C ATOM 539 OE1 GLN A 31 -17.888 1.213 0.007 1.00 0.00 O ATOM 540 NE2 GLN A 31 -17.740 -0.999 0.044 1.00 0.00 N ATOM 0 H GLN A 31 -14.939 0.404 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.750 0.108 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.469 1.846 -2.639 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.119 2.085 -2.099 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.222 -0.743 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.287 0.333 -0.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.292 -1.846 -0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.482 -1.066 0.741 1.00 0.00 H new ATOM 549 N LEU A 32 -16.527 2.623 -5.384 1.00 0.00 N ATOM 550 CA LEU A 32 -16.852 3.679 -6.323 1.00 0.00 C ATOM 551 C LEU A 32 -17.655 3.122 -7.491 1.00 0.00 C ATOM 552 O LEU A 32 -18.718 3.629 -7.837 1.00 0.00 O ATOM 553 CB LEU A 32 -15.527 4.260 -6.805 1.00 0.00 C ATOM 554 CG LEU A 32 -15.628 5.622 -7.471 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.523 5.740 -8.702 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.052 6.688 -6.448 1.00 0.00 C ATOM 0 H LEU A 32 -15.525 2.457 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.463 4.449 -5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.850 4.338 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.075 3.561 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.618 5.781 -7.849 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.500 6.765 -9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.164 5.066 -9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.546 5.474 -8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.120 7.658 -6.940 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -17.023 6.425 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.314 6.738 -5.648 1.00 0.00 H new ATOM 568 N ALA A 33 -17.147 2.039 -8.064 1.00 0.00 N ATOM 569 CA ALA A 33 -17.801 1.209 -9.063 1.00 0.00 C ATOM 570 C ALA A 33 -19.132 0.632 -8.571 1.00 0.00 C ATOM 571 O ALA A 33 -19.898 0.134 -9.398 1.00 0.00 O ATOM 572 CB ALA A 33 -16.873 0.060 -9.459 1.00 0.00 C ATOM 0 H ALA A 33 -16.215 1.698 -7.830 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.016 1.847 -9.920 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.363 -0.562 -10.208 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -15.949 0.464 -9.872 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -16.644 -0.543 -8.580 1.00 0.00 H new ATOM 578 N MET A 34 -19.429 0.673 -7.268 1.00 0.00 N ATOM 579 CA MET A 34 -20.712 0.309 -6.705 1.00 0.00 C ATOM 580 C MET A 34 -21.549 1.527 -6.283 1.00 0.00 C ATOM 581 O MET A 34 -22.722 1.386 -5.928 1.00 0.00 O ATOM 582 CB MET A 34 -20.464 -0.647 -5.534 1.00 0.00 C ATOM 583 CG MET A 34 -20.225 -2.082 -6.008 1.00 0.00 C ATOM 584 SD MET A 34 -21.703 -3.147 -6.045 1.00 0.00 S ATOM 585 CE MET A 34 -22.653 -2.493 -7.444 1.00 0.00 C ATOM 0 H MET A 34 -18.755 0.971 -6.563 1.00 0.00 H new ATOM 0 HA MET A 34 -21.307 -0.187 -7.472 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.601 -0.305 -4.963 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.321 -0.625 -4.860 1.00 0.00 H new ATOM 0 HG2 MET A 34 -19.796 -2.049 -7.009 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.482 -2.543 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.400 -3.225 -7.751 1.00 0.00 H new ATOM 0 HE2 MET A 34 -23.151 -1.570 -7.146 1.00 0.00 H new ATOM 0 HE3 MET A 34 -21.980 -2.289 -8.277 1.00 0.00 H new ATOM 595 N GLY A 35 -20.949 2.714 -6.313 1.00 0.00 N ATOM 596 CA GLY A 35 -21.494 4.010 -5.988 1.00 0.00 C ATOM 597 C GLY A 35 -21.668 4.143 -4.493 1.00 0.00 C ATOM 598 O GLY A 35 -22.733 4.534 -4.012 1.00 0.00 O ATOM 0 H GLY A 35 -19.972 2.789 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.832 4.794 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.454 4.144 -6.487 1.00 0.00 H new ATOM 602 N GLN A 36 -20.615 3.790 -3.756 1.00 0.00 N ATOM 603 CA GLN A 36 -20.617 3.710 -2.307 1.00 0.00 C ATOM 604 C GLN A 36 -19.555 4.636 -1.738 1.00 0.00 C ATOM 605 O GLN A 36 -19.768 5.268 -0.708 1.00 0.00 O ATOM 606 CB GLN A 36 -20.357 2.262 -1.863 1.00 0.00 C ATOM 607 CG GLN A 36 -21.303 1.271 -2.539 1.00 0.00 C ATOM 608 CD GLN A 36 -22.755 1.511 -2.133 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.062 1.652 -0.947 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.661 1.612 -3.094 1.00 0.00 N ATOM 0 H GLN A 36 -19.715 3.546 -4.168 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.592 4.021 -1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.326 1.993 -2.094 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.471 2.190 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.209 1.358 -3.621 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -21.014 0.254 -2.274 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.386 1.492 -4.069 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.634 1.810 -2.859 1.00 0.00 H new ATOM 619 N LEU A 37 -18.417 4.711 -2.428 1.00 0.00 N ATOM 620 CA LEU A 37 -17.271 5.517 -2.016 1.00 0.00 C ATOM 621 C LEU A 37 -17.618 7.009 -1.985 1.00 0.00 C ATOM 622 O LEU A 37 -17.237 7.700 -1.045 1.00 0.00 O ATOM 623 CB LEU A 37 -16.086 5.237 -2.940 1.00 0.00 C ATOM 624 CG LEU A 37 -14.701 5.396 -2.286 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.663 5.142 -3.377 1.00 0.00 C ATOM 626 CD2 LEU A 37 -14.434 6.753 -1.628 1.00 0.00 C ATOM 0 H LEU A 37 -18.265 4.206 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.994 5.237 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.176 4.221 -3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.146 5.908 -3.797 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.648 4.682 -1.464 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.662 5.244 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.790 4.134 -3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.795 5.866 -4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.432 6.758 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.513 7.542 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.167 6.926 -0.840 1.00 0.00 H new ATOM 638 N LYS A 38 -18.358 7.502 -2.986 1.00 0.00 N ATOM 639 CA LYS A 38 -18.740 8.903 -3.149 1.00 0.00 C ATOM 640 C LYS A 38 -17.519 9.828 -3.151 1.00 0.00 C ATOM 641 O LYS A 38 -17.239 10.456 -2.129 1.00 0.00 O ATOM 642 CB LYS A 38 -19.806 9.272 -2.098 1.00 0.00 C ATOM 643 CG LYS A 38 -20.410 10.664 -2.331 1.00 0.00 C ATOM 644 CD LYS A 38 -21.571 10.949 -1.368 1.00 0.00 C ATOM 645 CE LYS A 38 -21.592 12.408 -0.902 1.00 0.00 C ATOM 646 NZ LYS A 38 -21.639 13.395 -2.001 1.00 0.00 N ATOM 0 H LYS A 38 -18.720 6.909 -3.733 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.194 9.046 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -20.602 8.527 -2.117 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -19.359 9.236 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.637 11.422 -2.203 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.764 10.740 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -22.515 10.713 -1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -21.491 10.294 -0.501 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.457 12.559 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.705 12.597 -0.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.702 14.354 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.777 13.315 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -22.471 13.212 -2.597 1.00 0.00 H new ATOM 660 N ASN A 39 -16.910 10.013 -4.335 1.00 0.00 N ATOM 661 CA ASN A 39 -15.709 10.801 -4.698 1.00 0.00 C ATOM 662 C ASN A 39 -14.446 9.924 -4.750 1.00 0.00 C ATOM 663 O ASN A 39 -14.443 8.827 -4.203 1.00 0.00 O ATOM 664 CB ASN A 39 -15.482 11.975 -3.723 1.00 0.00 C ATOM 665 CG ASN A 39 -14.385 12.911 -4.168 1.00 0.00 C ATOM 666 OD1 ASN A 39 -13.430 13.208 -3.311 1.00 0.00 O flip ATOM 667 ND2 ASN A 39 -14.373 13.384 -5.295 1.00 0.00 N flip ATOM 0 H ASN A 39 -17.292 9.560 -5.165 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.895 11.204 -5.694 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -16.410 12.537 -3.618 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -15.236 11.579 -2.738 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -15.115 13.150 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.621 14.013 -5.576 1.00 0.00 H new ATOM 674 N THR A 40 -13.379 10.359 -5.438 1.00 0.00 N ATOM 675 CA THR A 40 -12.111 9.626 -5.534 1.00 0.00 C ATOM 676 C THR A 40 -10.891 10.395 -5.014 1.00 0.00 C ATOM 677 O THR A 40 -9.772 9.893 -5.154 1.00 0.00 O ATOM 678 CB THR A 40 -11.864 9.114 -6.961 1.00 0.00 C ATOM 679 OG1 THR A 40 -11.708 10.187 -7.874 1.00 0.00 O ATOM 680 CG2 THR A 40 -12.943 8.155 -7.460 1.00 0.00 C ATOM 0 H THR A 40 -13.375 11.242 -5.949 1.00 0.00 H new ATOM 0 HA THR A 40 -12.229 8.774 -4.865 1.00 0.00 H new ATOM 0 HB THR A 40 -10.935 8.547 -6.910 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.551 9.831 -8.773 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.704 7.834 -8.474 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.988 7.285 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 40 -13.909 8.661 -7.458 1.00 0.00 H new ATOM 688 N SER A 41 -11.045 11.606 -4.462 1.00 0.00 N ATOM 689 CA SER A 41 -9.891 12.359 -3.967 1.00 0.00 C ATOM 690 C SER A 41 -9.139 11.538 -2.927 1.00 0.00 C ATOM 691 O SER A 41 -7.908 11.524 -2.968 1.00 0.00 O ATOM 692 CB SER A 41 -10.287 13.741 -3.412 1.00 0.00 C ATOM 693 OG SER A 41 -11.086 14.484 -4.321 1.00 0.00 O ATOM 0 H SER A 41 -11.943 12.077 -4.349 1.00 0.00 H new ATOM 0 HA SER A 41 -9.229 12.547 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.832 13.611 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.385 14.307 -3.179 1.00 0.00 H new ATOM 0 HG SER A 41 -12.029 14.252 -4.193 1.00 0.00 H new ATOM 699 N LEU A 42 -9.851 10.801 -2.066 1.00 0.00 N ATOM 700 CA LEU A 42 -9.224 9.928 -1.099 1.00 0.00 C ATOM 701 C LEU A 42 -8.585 8.744 -1.816 1.00 0.00 C ATOM 702 O LEU A 42 -7.433 8.473 -1.523 1.00 0.00 O ATOM 703 CB LEU A 42 -10.238 9.531 -0.010 1.00 0.00 C ATOM 704 CG LEU A 42 -9.666 9.279 1.398 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.971 7.926 1.558 1.00 0.00 C ATOM 706 CD2 LEU A 42 -8.732 10.394 1.885 1.00 0.00 C ATOM 0 H LEU A 42 -10.870 10.801 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.416 10.445 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.988 10.318 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.754 8.628 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.554 9.271 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.597 7.827 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.682 7.125 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.138 7.860 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.366 10.152 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.888 10.486 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.277 11.337 1.918 1.00 0.00 H new ATOM 718 N ILE A 43 -9.229 8.108 -2.811 1.00 0.00 N ATOM 719 CA ILE A 43 -8.619 6.989 -3.552 1.00 0.00 C ATOM 720 C ILE A 43 -7.250 7.391 -4.082 1.00 0.00 C ATOM 721 O ILE A 43 -6.336 6.585 -4.008 1.00 0.00 O ATOM 722 CB ILE A 43 -9.535 6.423 -4.671 1.00 0.00 C ATOM 723 CG1 ILE A 43 -10.093 5.023 -4.325 1.00 0.00 C ATOM 724 CG2 ILE A 43 -8.889 6.392 -6.082 1.00 0.00 C ATOM 725 CD1 ILE A 43 -9.112 3.860 -4.510 1.00 0.00 C ATOM 0 H ILE A 43 -10.171 8.349 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.489 6.168 -2.847 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.357 7.138 -4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.430 5.031 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.971 4.837 -4.944 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -9.600 5.982 -6.799 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.616 7.405 -6.380 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.996 5.768 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.602 2.924 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.793 3.816 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.243 4.012 -3.870 1.00 0.00 H new ATOM 737 N LYS A 44 -7.075 8.603 -4.613 1.00 0.00 N ATOM 738 CA LYS A 44 -5.793 9.101 -5.061 1.00 0.00 C ATOM 739 C LYS A 44 -4.786 9.095 -3.903 1.00 0.00 C ATOM 740 O LYS A 44 -3.651 8.655 -4.085 1.00 0.00 O ATOM 741 CB LYS A 44 -6.049 10.469 -5.740 1.00 0.00 C ATOM 742 CG LYS A 44 -4.947 11.524 -5.630 1.00 0.00 C ATOM 743 CD LYS A 44 -3.576 11.014 -6.074 1.00 0.00 C ATOM 744 CE LYS A 44 -2.501 11.306 -5.005 1.00 0.00 C ATOM 745 NZ LYS A 44 -1.617 12.438 -5.365 1.00 0.00 N ATOM 0 H LYS A 44 -7.837 9.268 -4.741 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.321 8.462 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -6.240 10.290 -6.798 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.962 10.889 -5.318 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.219 12.388 -6.236 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.883 11.866 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.626 9.941 -6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.296 11.488 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.991 11.523 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.895 10.413 -4.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.917 12.586 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.125 12.225 -6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.187 13.300 -5.482 1.00 0.00 H new ATOM 759 N LEU A 45 -5.147 9.554 -2.707 1.00 0.00 N ATOM 760 CA LEU A 45 -4.263 9.535 -1.566 1.00 0.00 C ATOM 761 C LEU A 45 -4.023 8.098 -1.101 1.00 0.00 C ATOM 762 O LEU A 45 -2.946 7.810 -0.579 1.00 0.00 O ATOM 763 CB LEU A 45 -4.895 10.363 -0.444 1.00 0.00 C ATOM 764 CG LEU A 45 -4.627 11.879 -0.442 1.00 0.00 C ATOM 765 CD1 LEU A 45 -3.169 12.273 -0.670 1.00 0.00 C ATOM 766 CD2 LEU A 45 -5.522 12.647 -1.402 1.00 0.00 C ATOM 0 H LEU A 45 -6.067 9.949 -2.511 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.299 9.963 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.974 10.212 -0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.550 9.959 0.508 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.878 12.168 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.078 13.359 -0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.549 11.844 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.838 11.897 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.282 13.709 -1.352 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.361 12.286 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.566 12.497 -1.125 1.00 0.00 H new ATOM 778 N THR A 46 -4.972 7.187 -1.313 1.00 0.00 N ATOM 779 CA THR A 46 -4.820 5.790 -0.953 1.00 0.00 C ATOM 780 C THR A 46 -3.806 5.216 -1.930 1.00 0.00 C ATOM 781 O THR A 46 -2.749 4.765 -1.523 1.00 0.00 O ATOM 782 CB THR A 46 -6.207 5.109 -0.957 1.00 0.00 C ATOM 783 OG1 THR A 46 -7.074 5.925 -0.213 1.00 0.00 O ATOM 784 CG2 THR A 46 -6.266 3.746 -0.273 1.00 0.00 C ATOM 0 H THR A 46 -5.871 7.405 -1.742 1.00 0.00 H new ATOM 0 HA THR A 46 -4.441 5.626 0.056 1.00 0.00 H new ATOM 0 HB THR A 46 -6.465 4.971 -2.007 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.311 6.716 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.281 3.354 -0.330 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.583 3.059 -0.772 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.976 3.851 0.773 1.00 0.00 H new ATOM 792 N LYS A 47 -4.054 5.336 -3.233 1.00 0.00 N ATOM 793 CA LYS A 47 -3.205 4.935 -4.341 1.00 0.00 C ATOM 794 C LYS A 47 -1.770 5.386 -4.161 1.00 0.00 C ATOM 795 O LYS A 47 -0.885 4.560 -4.365 1.00 0.00 O ATOM 796 CB LYS A 47 -3.799 5.528 -5.636 1.00 0.00 C ATOM 797 CG LYS A 47 -3.066 5.091 -6.908 1.00 0.00 C ATOM 798 CD LYS A 47 -3.523 3.689 -7.305 1.00 0.00 C ATOM 799 CE LYS A 47 -2.446 3.025 -8.172 1.00 0.00 C ATOM 800 NZ LYS A 47 -2.964 1.958 -9.051 1.00 0.00 N ATOM 0 H LYS A 47 -4.926 5.750 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.180 3.846 -4.389 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.846 5.235 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.777 6.616 -5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.269 5.793 -7.716 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.989 5.100 -6.741 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.708 3.089 -6.414 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.464 3.743 -7.853 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.966 3.787 -8.785 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.677 2.607 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.182 1.555 -9.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.398 1.211 -8.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.678 2.355 -9.695 1.00 0.00 H new ATOM 814 N ARG A 48 -1.514 6.650 -3.816 1.00 0.00 N ATOM 815 CA ARG A 48 -0.142 7.136 -3.685 1.00 0.00 C ATOM 816 C ARG A 48 0.588 6.341 -2.614 1.00 0.00 C ATOM 817 O ARG A 48 1.711 5.892 -2.844 1.00 0.00 O ATOM 818 CB ARG A 48 -0.123 8.656 -3.448 1.00 0.00 C ATOM 819 CG ARG A 48 -0.048 9.150 -1.994 1.00 0.00 C ATOM 820 CD ARG A 48 -0.273 10.663 -1.930 1.00 0.00 C ATOM 821 NE ARG A 48 0.034 11.223 -0.600 1.00 0.00 N ATOM 822 CZ ARG A 48 1.241 11.320 -0.025 1.00 0.00 C ATOM 823 NH1 ARG A 48 2.349 10.969 -0.668 1.00 0.00 N ATOM 824 NH2 ARG A 48 1.339 11.771 1.216 1.00 0.00 N ATOM 0 H ARG A 48 -2.232 7.348 -3.624 1.00 0.00 H new ATOM 0 HA ARG A 48 0.399 6.975 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.729 9.069 -3.987 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.021 9.077 -3.900 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.798 8.639 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.925 8.903 -1.569 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.350 11.152 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.310 10.884 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.757 11.574 -0.060 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.294 10.615 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.255 11.053 -0.207 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.499 12.042 1.728 1.00 0.00 H new ATOM 0 HH22 ARG A 48 2.254 11.848 1.660 1.00 0.00 H new ATOM 838 N ASP A 49 -0.050 6.126 -1.464 1.00 0.00 N ATOM 839 CA ASP A 49 0.541 5.337 -0.392 1.00 0.00 C ATOM 840 C ASP A 49 0.575 3.889 -0.825 1.00 0.00 C ATOM 841 O ASP A 49 1.566 3.234 -0.572 1.00 0.00 O ATOM 842 CB ASP A 49 -0.270 5.434 0.904 1.00 0.00 C ATOM 843 CG ASP A 49 0.498 5.898 2.144 1.00 0.00 C ATOM 844 OD1 ASP A 49 1.572 6.535 2.032 1.00 0.00 O ATOM 845 OD2 ASP A 49 -0.003 5.622 3.256 1.00 0.00 O ATOM 0 H ASP A 49 -0.979 6.490 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 49 1.542 5.724 -0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.101 6.119 0.738 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.701 4.455 1.113 1.00 0.00 H new ATOM 850 N ILE A 50 -0.449 3.366 -1.507 1.00 0.00 N ATOM 851 CA ILE A 50 -0.447 1.974 -1.943 1.00 0.00 C ATOM 852 C ILE A 50 0.791 1.786 -2.765 1.00 0.00 C ATOM 853 O ILE A 50 1.573 0.920 -2.442 1.00 0.00 O ATOM 854 CB ILE A 50 -1.715 1.528 -2.712 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.650 0.838 -1.720 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.486 0.497 -3.841 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.430 1.851 -0.901 1.00 0.00 C ATOM 0 H ILE A 50 -1.286 3.888 -1.767 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.454 1.335 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.104 2.439 -3.168 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.343 0.192 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.070 0.198 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.439 0.256 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.809 0.917 -4.585 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.048 -0.409 -3.423 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.086 1.328 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.736 2.480 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.029 2.473 -1.566 1.00 0.00 H new ATOM 869 N ALA A 51 1.013 2.609 -3.777 1.00 0.00 N ATOM 870 CA ALA A 51 2.096 2.406 -4.705 1.00 0.00 C ATOM 871 C ALA A 51 3.467 2.643 -4.062 1.00 0.00 C ATOM 872 O ALA A 51 4.487 2.321 -4.675 1.00 0.00 O ATOM 873 CB ALA A 51 1.827 3.276 -5.930 1.00 0.00 C ATOM 0 H ALA A 51 0.444 3.433 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 51 2.136 1.363 -5.020 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.632 3.144 -6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.880 2.983 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.777 4.322 -5.629 1.00 0.00 H new ATOM 879 N ARG A 52 3.497 3.156 -2.831 1.00 0.00 N ATOM 880 CA ARG A 52 4.654 3.274 -1.963 1.00 0.00 C ATOM 881 C ARG A 52 4.776 2.014 -1.107 1.00 0.00 C ATOM 882 O ARG A 52 5.723 1.248 -1.258 1.00 0.00 O ATOM 883 CB ARG A 52 4.473 4.592 -1.183 1.00 0.00 C ATOM 884 CG ARG A 52 5.708 5.153 -0.489 1.00 0.00 C ATOM 885 CD ARG A 52 5.983 4.577 0.904 1.00 0.00 C ATOM 886 NE ARG A 52 6.390 5.655 1.833 1.00 0.00 N ATOM 887 CZ ARG A 52 7.378 6.560 1.667 1.00 0.00 C ATOM 888 NH1 ARG A 52 8.206 6.501 0.621 1.00 0.00 N ATOM 889 NH2 ARG A 52 7.556 7.529 2.555 1.00 0.00 N ATOM 0 H ARG A 52 2.653 3.523 -2.391 1.00 0.00 H new ATOM 0 HA ARG A 52 5.604 3.332 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.099 5.347 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.700 4.438 -0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.577 4.968 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.599 6.234 -0.404 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.090 4.079 1.282 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.768 3.823 0.845 1.00 0.00 H new ATOM 0 HE ARG A 52 5.861 5.722 2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.099 5.761 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.945 7.196 0.516 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.945 7.593 3.369 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.304 8.210 2.424 1.00 0.00 H new ATOM 903 N ILE A 53 3.789 1.732 -0.266 1.00 0.00 N ATOM 904 CA ILE A 53 3.666 0.517 0.532 1.00 0.00 C ATOM 905 C ILE A 53 3.818 -0.764 -0.287 1.00 0.00 C ATOM 906 O ILE A 53 4.724 -1.543 -0.025 1.00 0.00 O ATOM 907 CB ILE A 53 2.349 0.653 1.340 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.520 1.593 2.551 1.00 0.00 C ATOM 909 CG2 ILE A 53 1.931 -0.700 1.875 1.00 0.00 C ATOM 910 CD1 ILE A 53 2.057 3.016 2.346 1.00 0.00 C ATOM 0 H ILE A 53 3.013 2.376 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 53 4.495 0.415 1.232 1.00 0.00 H new ATOM 0 HB ILE A 53 1.599 1.061 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.975 1.171 3.395 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.574 1.610 2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.005 -0.597 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.773 -1.387 1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.713 -1.091 2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.223 3.588 3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.619 3.467 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.994 3.021 2.103 1.00 0.00 H new ATOM 922 N LYS A 54 2.987 -1.018 -1.285 1.00 0.00 N ATOM 923 CA LYS A 54 3.058 -2.238 -2.081 1.00 0.00 C ATOM 924 C LYS A 54 4.412 -2.398 -2.780 1.00 0.00 C ATOM 925 O LYS A 54 4.786 -3.514 -3.148 1.00 0.00 O ATOM 926 CB LYS A 54 1.812 -2.315 -3.005 1.00 0.00 C ATOM 927 CG LYS A 54 1.931 -1.358 -4.218 1.00 0.00 C ATOM 928 CD LYS A 54 2.573 -2.002 -5.440 1.00 0.00 C ATOM 929 CE LYS A 54 1.580 -2.854 -6.231 1.00 0.00 C ATOM 930 NZ LYS A 54 2.283 -3.628 -7.267 1.00 0.00 N ATOM 0 H LYS A 54 2.241 -0.383 -1.569 1.00 0.00 H new ATOM 0 HA LYS A 54 3.016 -3.113 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.687 -3.338 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.919 -2.065 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.937 -0.999 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.517 -0.486 -3.927 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.979 -1.225 -6.087 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.411 -2.623 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.053 -3.530 -5.557 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.828 -2.214 -6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.597 -4.202 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.766 -2.977 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.984 -4.252 -6.818 1.00 0.00 H new ATOM 944 N THR A 55 5.142 -1.301 -2.963 1.00 0.00 N ATOM 945 CA THR A 55 6.480 -1.292 -3.511 1.00 0.00 C ATOM 946 C THR A 55 7.525 -1.597 -2.438 1.00 0.00 C ATOM 947 O THR A 55 8.516 -2.207 -2.796 1.00 0.00 O ATOM 948 CB THR A 55 6.691 0.058 -4.191 1.00 0.00 C ATOM 949 OG1 THR A 55 5.859 0.109 -5.335 1.00 0.00 O ATOM 950 CG2 THR A 55 8.129 0.368 -4.585 1.00 0.00 C ATOM 0 H THR A 55 4.801 -0.370 -2.724 1.00 0.00 H new ATOM 0 HA THR A 55 6.601 -2.083 -4.251 1.00 0.00 H new ATOM 0 HB THR A 55 6.433 0.821 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.438 0.992 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.173 1.348 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.758 0.368 -3.695 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.487 -0.390 -5.282 1.00 0.00 H new ATOM 958 N ILE A 56 7.349 -1.276 -1.149 1.00 0.00 N ATOM 959 CA ILE A 56 8.293 -1.663 -0.089 1.00 0.00 C ATOM 960 C ILE A 56 8.609 -3.153 -0.164 1.00 0.00 C ATOM 961 O ILE A 56 9.782 -3.526 -0.093 1.00 0.00 O ATOM 962 CB ILE A 56 7.751 -1.240 1.298 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.049 0.245 1.559 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.221 -2.108 2.472 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.432 0.534 2.155 1.00 0.00 C ATOM 0 H ILE A 56 6.549 -0.741 -0.811 1.00 0.00 H new ATOM 0 HA ILE A 56 9.234 -1.134 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 56 6.674 -1.401 1.248 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.954 0.790 0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.290 0.639 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.788 -1.732 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 56 7.901 -3.138 2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.308 -2.072 2.539 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.547 1.608 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.529 0.024 3.113 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.204 0.176 1.473 1.00 0.00 H new ATOM 977 N LEU A 57 7.584 -3.989 -0.334 1.00 0.00 N ATOM 978 CA LEU A 57 7.831 -5.429 -0.487 1.00 0.00 C ATOM 979 C LEU A 57 8.565 -5.691 -1.797 1.00 0.00 C ATOM 980 O LEU A 57 9.596 -6.349 -1.764 1.00 0.00 O ATOM 981 CB LEU A 57 6.554 -6.245 -0.278 1.00 0.00 C ATOM 982 CG LEU A 57 6.768 -7.733 0.102 1.00 0.00 C ATOM 983 CD1 LEU A 57 5.501 -8.369 0.707 1.00 0.00 C ATOM 984 CD2 LEU A 57 7.224 -8.560 -1.099 1.00 0.00 C ATOM 0 H LEU A 57 6.604 -3.710 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 57 8.496 -5.780 0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.964 -5.769 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.963 -6.203 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 57 7.552 -7.740 0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.701 -9.411 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.217 -7.827 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.688 -8.319 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.364 -9.597 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.468 -8.511 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.166 -8.163 -1.478 1.00 0.00 H new ATOM 996 N ARG A 58 8.139 -5.107 -2.924 1.00 0.00 N ATOM 997 CA ARG A 58 8.860 -5.266 -4.195 1.00 0.00 C ATOM 998 C ARG A 58 10.341 -4.936 -4.048 1.00 0.00 C ATOM 999 O ARG A 58 11.191 -5.713 -4.458 1.00 0.00 O ATOM 1000 CB ARG A 58 8.206 -4.443 -5.314 1.00 0.00 C ATOM 1001 CG ARG A 58 8.077 -5.236 -6.631 1.00 0.00 C ATOM 1002 CD ARG A 58 9.432 -5.734 -7.160 1.00 0.00 C ATOM 1003 NE ARG A 58 9.331 -6.615 -8.336 1.00 0.00 N ATOM 1004 CZ ARG A 58 10.140 -6.679 -9.404 1.00 0.00 C ATOM 1005 NH1 ARG A 58 11.064 -5.746 -9.642 1.00 0.00 N ATOM 1006 NH2 ARG A 58 10.032 -7.702 -10.244 1.00 0.00 N ATOM 0 H ARG A 58 7.304 -4.524 -2.983 1.00 0.00 H new ATOM 0 HA ARG A 58 8.793 -6.316 -4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.217 -4.118 -4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.795 -3.543 -5.491 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.418 -6.089 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.607 -4.605 -7.385 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.049 -4.873 -7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.947 -6.269 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 58 8.542 -7.262 -8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.169 -4.958 -9.003 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.665 -5.821 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.338 -8.430 -10.074 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.643 -7.759 -11.059 1.00 0.00 H new ATOM 1020 N GLU A 59 10.662 -3.814 -3.421 1.00 0.00 N ATOM 1021 CA GLU A 59 12.026 -3.361 -3.171 1.00 0.00 C ATOM 1022 C GLU A 59 12.834 -4.420 -2.406 1.00 0.00 C ATOM 1023 O GLU A 59 14.046 -4.521 -2.587 1.00 0.00 O ATOM 1024 CB GLU A 59 12.001 -2.065 -2.350 1.00 0.00 C ATOM 1025 CG GLU A 59 11.267 -0.900 -3.023 1.00 0.00 C ATOM 1026 CD GLU A 59 12.199 0.172 -3.567 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.696 0.998 -2.767 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.351 0.234 -4.806 1.00 0.00 O ATOM 0 H GLU A 59 9.958 -3.171 -3.059 1.00 0.00 H new ATOM 0 HA GLU A 59 12.502 -3.187 -4.136 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.529 -2.268 -1.389 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.027 -1.761 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.657 -1.288 -3.839 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.585 -0.446 -2.304 1.00 0.00 H new ATOM 1035 N ARG A 60 12.190 -5.198 -1.533 1.00 0.00 N ATOM 1036 CA ARG A 60 12.844 -6.288 -0.810 1.00 0.00 C ATOM 1037 C ARG A 60 13.083 -7.506 -1.690 1.00 0.00 C ATOM 1038 O ARG A 60 14.138 -8.125 -1.548 1.00 0.00 O ATOM 1039 CB ARG A 60 12.046 -6.661 0.452 1.00 0.00 C ATOM 1040 CG ARG A 60 12.247 -5.635 1.572 1.00 0.00 C ATOM 1041 CD ARG A 60 11.085 -5.656 2.575 1.00 0.00 C ATOM 1042 NE ARG A 60 11.554 -5.723 3.970 1.00 0.00 N ATOM 1043 CZ ARG A 60 11.586 -6.816 4.740 1.00 0.00 C ATOM 1044 NH1 ARG A 60 11.199 -7.990 4.272 1.00 0.00 N ATOM 1045 NH2 ARG A 60 12.011 -6.749 5.992 1.00 0.00 N ATOM 0 H ARG A 60 11.201 -5.089 -1.308 1.00 0.00 H new ATOM 0 HA ARG A 60 13.826 -5.927 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.986 -6.729 0.206 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.356 -7.646 0.801 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.182 -5.843 2.093 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.338 -4.638 1.141 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.476 -4.762 2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.444 -6.513 2.368 1.00 0.00 H new ATOM 0 HE ARG A 60 11.886 -4.854 4.388 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.870 -8.072 3.310 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.230 -8.814 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.319 -5.857 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.031 -7.590 6.570 1.00 0.00 H new ATOM 1059 N GLU A 61 12.183 -7.787 -2.628 1.00 0.00 N ATOM 1060 CA GLU A 61 12.268 -8.934 -3.532 1.00 0.00 C ATOM 1061 C GLU A 61 13.615 -8.894 -4.274 1.00 0.00 C ATOM 1062 O GLU A 61 14.322 -9.902 -4.286 1.00 0.00 O ATOM 1063 CB GLU A 61 11.047 -9.028 -4.486 1.00 0.00 C ATOM 1064 CG GLU A 61 9.692 -9.211 -3.778 1.00 0.00 C ATOM 1065 CD GLU A 61 8.476 -9.317 -4.716 1.00 0.00 C ATOM 1066 OE1 GLU A 61 8.067 -8.329 -5.371 1.00 0.00 O ATOM 1067 OE2 GLU A 61 7.819 -10.387 -4.758 1.00 0.00 O ATOM 0 H GLU A 61 11.355 -7.212 -2.786 1.00 0.00 H new ATOM 0 HA GLU A 61 12.230 -9.852 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.006 -8.123 -5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 61 11.200 -9.863 -5.170 1.00 0.00 H new ATOM 0 HG2 GLU A 61 9.738 -10.111 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.537 -8.371 -3.100 1.00 0.00 H new ATOM 1074 N LEU A 62 14.024 -7.738 -4.825 1.00 0.00 N ATOM 1075 CA LEU A 62 15.283 -7.618 -5.561 1.00 0.00 C ATOM 1076 C LEU A 62 16.453 -7.091 -4.732 1.00 0.00 C ATOM 1077 O LEU A 62 17.544 -6.896 -5.275 1.00 0.00 O ATOM 1078 CB LEU A 62 15.148 -6.740 -6.814 1.00 0.00 C ATOM 1079 CG LEU A 62 13.770 -6.477 -7.439 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.838 -7.689 -7.529 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.135 -5.256 -6.775 1.00 0.00 C ATOM 0 H LEU A 62 13.492 -6.870 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 62 15.508 -8.646 -5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.583 -5.770 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.772 -7.187 -7.588 1.00 0.00 H new ATOM 0 HG LEU A 62 13.941 -6.257 -8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.895 -7.389 -7.985 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.306 -8.463 -8.137 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.649 -8.078 -6.528 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.157 -5.068 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.020 -5.441 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.774 -4.386 -6.926 1.00 0.00 H new ATOM 1093 N GLY A 63 16.232 -6.802 -3.456 1.00 0.00 N ATOM 1094 CA GLY A 63 17.270 -6.297 -2.569 1.00 0.00 C ATOM 1095 C GLY A 63 17.652 -4.854 -2.855 1.00 0.00 C ATOM 1096 O GLY A 63 18.787 -4.464 -2.586 1.00 0.00 O ATOM 0 H GLY A 63 15.323 -6.912 -3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.928 -6.378 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.156 -6.926 -2.662 1.00 0.00 H new ATOM 1100 N ILE A 64 16.708 -4.049 -3.345 1.00 0.00 N ATOM 1101 CA ILE A 64 16.832 -2.617 -3.521 1.00 0.00 C ATOM 1102 C ILE A 64 16.845 -1.898 -2.168 1.00 0.00 C ATOM 1103 O ILE A 64 17.251 -0.739 -2.053 1.00 0.00 O ATOM 1104 CB ILE A 64 15.641 -2.146 -4.382 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.505 -2.905 -5.711 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.656 -0.650 -4.664 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.715 -2.847 -6.644 1.00 0.00 C ATOM 0 H ILE A 64 15.798 -4.402 -3.641 1.00 0.00 H new ATOM 0 HA ILE A 64 17.773 -2.379 -4.016 1.00 0.00 H new ATOM 0 HB ILE A 64 14.772 -2.376 -3.765 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.292 -3.951 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.641 -2.510 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 64 14.792 -0.386 -5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.617 -0.102 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.570 -0.390 -5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.504 -3.417 -7.549 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.921 -1.810 -6.908 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.583 -3.273 -6.141 1.00 0.00 H new ATOM 1119 N ARG A 65 16.382 -2.566 -1.113 1.00 0.00 N ATOM 1120 CA ARG A 65 16.268 -2.033 0.225 1.00 0.00 C ATOM 1121 C ARG A 65 16.860 -3.102 1.100 1.00 0.00 C ATOM 1122 O ARG A 65 16.135 -3.810 1.806 1.00 0.00 O ATOM 1123 CB ARG A 65 14.805 -1.703 0.551 1.00 0.00 C ATOM 1124 CG ARG A 65 14.352 -0.368 -0.062 1.00 0.00 C ATOM 1125 CD ARG A 65 15.110 0.855 0.458 1.00 0.00 C ATOM 1126 NE ARG A 65 15.065 0.964 1.925 1.00 0.00 N ATOM 1127 CZ ARG A 65 16.056 1.257 2.777 1.00 0.00 C ATOM 1128 NH1 ARG A 65 17.302 1.497 2.377 1.00 0.00 N ATOM 1129 NH2 ARG A 65 15.767 1.293 4.072 1.00 0.00 N ATOM 0 H ARG A 65 16.065 -3.533 -1.180 1.00 0.00 H new ATOM 0 HA ARG A 65 16.793 -1.088 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 65 14.164 -2.504 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.677 -1.664 1.633 1.00 0.00 H new ATOM 0 HG2 ARG A 65 14.470 -0.420 -1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 65 13.289 -0.233 0.137 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.149 0.800 0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 65 14.685 1.757 0.017 1.00 0.00 H new ATOM 0 HE ARG A 65 14.154 0.793 2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.535 1.462 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.024 1.716 3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 65 14.816 1.101 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.496 1.513 4.751 1.00 0.00 H new ATOM 1143 N ARG A 66 18.173 -3.275 0.971 1.00 0.00 N ATOM 1144 CA ARG A 66 18.901 -3.893 2.048 1.00 0.00 C ATOM 1145 C ARG A 66 18.790 -2.913 3.196 1.00 0.00 C ATOM 1146 O ARG A 66 19.257 -1.762 3.047 1.00 0.00 O ATOM 1147 CB ARG A 66 20.360 -4.184 1.665 1.00 0.00 C ATOM 1148 CG ARG A 66 20.474 -5.367 0.694 1.00 0.00 C ATOM 1149 CD ARG A 66 21.753 -6.180 0.956 1.00 0.00 C ATOM 1150 NE ARG A 66 21.834 -7.356 0.076 1.00 0.00 N ATOM 1151 CZ ARG A 66 21.057 -8.441 0.133 1.00 0.00 C ATOM 1152 NH1 ARG A 66 20.213 -8.631 1.148 1.00 0.00 N ATOM 1153 NH2 ARG A 66 21.116 -9.343 -0.833 1.00 0.00 N ATOM 0 H ARG A 66 18.728 -3.004 0.159 1.00 0.00 H new ATOM 0 HA ARG A 66 18.493 -4.869 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 66 20.799 -3.297 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 66 20.936 -4.397 2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 66 19.602 -6.012 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 66 20.477 -5.000 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 66 22.626 -5.547 0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 66 21.774 -6.501 1.997 1.00 0.00 H new ATOM 0 HE ARG A 66 22.553 -7.341 -0.648 1.00 0.00 H new ATOM 0 HH11 ARG A 66 20.153 -7.942 1.897 1.00 0.00 H new ATOM 0 HH12 ARG A 66 19.627 -9.466 1.175 1.00 0.00 H new ATOM 0 HH21 ARG A 66 21.753 -9.209 -1.618 1.00 0.00 H new ATOM 0 HH22 ARG A 66 20.524 -10.173 -0.793 1.00 0.00 H new TER 1167 ARG A 66