USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ -168:sc= -0.0153 (180deg=-0.151) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -7 MET N :NH3+ 163:sc= 1.35 (180deg=0.578) USER MOD Single : A 10 SER OG : rot -16:sc= 0.652 USER MOD Single : A 14 THR OG1 : rot 180:sc=-0.00448 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 19 ASN : amide:sc= -0.346 K(o=-0.35,f=-1.2!) USER MOD Single : A 20 SER OG : rot -136:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.39) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 49 MET CE :methyl 162:sc= -0.07 (180deg=-0.59) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -163:sc= -0.0979 (180deg=-0.515) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 1.26 (180deg=1.11) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -50.033 20.001 28.678 1.00 20.00 N ATOM 2 CA MET A -7 -48.830 20.849 28.513 1.00 20.00 C ATOM 3 C MET A -7 -47.619 20.001 28.151 1.00 20.00 C ATOM 4 O MET A -7 -47.373 18.967 28.774 1.00 20.00 O ATOM 5 CB MET A -7 -48.525 21.634 29.796 1.00 20.00 C ATOM 6 CG MET A -7 -49.553 22.697 30.148 1.00 20.00 C ATOM 7 SD MET A -7 -51.132 22.006 30.673 1.00 20.00 S ATOM 8 CE MET A -7 -52.018 23.500 31.105 1.00 20.00 C ATOM 0 H1 MET A -7 -50.764 20.532 29.194 1.00 20.00 H new ATOM 0 H2 MET A -7 -50.398 19.730 27.742 1.00 20.00 H new ATOM 0 H3 MET A -7 -49.784 19.145 29.214 1.00 20.00 H new ATOM 0 HA MET A -7 -49.037 21.552 27.706 1.00 20.00 H new ATOM 0 HB2 MET A -7 -48.449 20.932 30.626 1.00 20.00 H new ATOM 0 HB3 MET A -7 -47.550 22.111 29.691 1.00 20.00 H new ATOM 0 HG2 MET A -7 -49.157 23.328 30.944 1.00 20.00 H new ATOM 0 HG3 MET A -7 -49.714 23.339 29.282 1.00 20.00 H new ATOM 0 HE1 MET A -7 -53.019 23.242 31.451 1.00 20.00 H new ATOM 0 HE2 MET A -7 -51.484 24.024 31.898 1.00 20.00 H new ATOM 0 HE3 MET A -7 -52.092 24.145 30.230 1.00 20.00 H new ATOM 20 N ASP A -6 -46.885 20.441 27.132 1.00 20.00 N ATOM 21 CA ASP A -6 -45.618 19.821 26.737 1.00 20.00 C ATOM 22 C ASP A -6 -45.792 18.361 26.338 1.00 20.00 C ATOM 23 O ASP A -6 -45.048 17.488 26.787 1.00 20.00 O ATOM 24 CB ASP A -6 -44.575 19.938 27.855 1.00 20.00 C ATOM 25 CG ASP A -6 -44.221 21.375 28.164 1.00 20.00 C ATOM 26 OD1 ASP A -6 -43.543 22.017 27.333 1.00 20.00 O ATOM 27 OD2 ASP A -6 -44.621 21.872 29.240 1.00 20.00 O ATOM 0 H ASP A -6 -47.150 21.239 26.554 1.00 20.00 H new ATOM 0 HA ASP A -6 -45.263 20.366 25.862 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -44.957 19.459 28.756 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -43.673 19.399 27.565 1.00 20.00 H new ATOM 32 N TYR A -5 -46.776 18.097 25.498 1.00 20.00 N ATOM 33 CA TYR A -5 -46.957 16.763 24.950 1.00 20.00 C ATOM 34 C TYR A -5 -46.493 16.732 23.503 1.00 20.00 C ATOM 35 O TYR A -5 -47.088 17.370 22.636 1.00 20.00 O ATOM 36 CB TYR A -5 -48.415 16.306 25.053 1.00 20.00 C ATOM 37 CG TYR A -5 -48.860 16.033 26.474 1.00 20.00 C ATOM 38 CD1 TYR A -5 -48.121 15.198 27.304 1.00 20.00 C ATOM 39 CD2 TYR A -5 -50.021 16.601 26.981 1.00 20.00 C ATOM 40 CE1 TYR A -5 -48.524 14.941 28.598 1.00 20.00 C ATOM 41 CE2 TYR A -5 -50.430 16.348 28.277 1.00 20.00 C ATOM 42 CZ TYR A -5 -49.678 15.517 29.081 1.00 20.00 C ATOM 43 OH TYR A -5 -50.082 15.260 30.374 1.00 20.00 O ATOM 0 H TYR A -5 -47.460 18.784 25.181 1.00 20.00 H new ATOM 0 HA TYR A -5 -46.353 16.071 25.537 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -49.059 17.071 24.619 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -48.548 15.402 24.458 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -47.216 14.743 26.929 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -50.613 17.250 26.353 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -47.937 14.291 29.230 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -51.334 16.799 28.658 1.00 20.00 H new ATOM 0 HH TYR A -5 -50.914 15.743 30.559 1.00 20.00 H new ATOM 53 N LYS A -4 -45.413 16.002 23.262 1.00 20.00 N ATOM 54 CA LYS A -4 -44.833 15.895 21.931 1.00 20.00 C ATOM 55 C LYS A -4 -45.705 14.996 21.069 1.00 20.00 C ATOM 56 O LYS A -4 -46.094 15.358 19.955 1.00 20.00 O ATOM 57 CB LYS A -4 -43.404 15.332 21.999 1.00 20.00 C ATOM 58 CG LYS A -4 -42.382 16.248 22.675 1.00 20.00 C ATOM 59 CD LYS A -4 -42.633 16.388 24.170 1.00 20.00 C ATOM 60 CE LYS A -4 -41.548 17.206 24.855 1.00 20.00 C ATOM 61 NZ LYS A -4 -40.230 16.514 24.835 1.00 20.00 N ATOM 0 H LYS A -4 -44.917 15.471 23.978 1.00 20.00 H new ATOM 0 HA LYS A -4 -44.785 16.891 21.490 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -43.428 14.382 22.533 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -43.065 15.119 20.985 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -41.379 15.853 22.512 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -42.416 17.233 22.209 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -43.601 16.861 24.332 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -42.682 15.398 24.624 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -41.457 18.173 24.361 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -41.839 17.402 25.887 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -39.573 16.999 25.479 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -40.351 15.528 25.143 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -39.844 16.531 23.869 1.00 20.00 H new ATOM 75 N ASP A -3 -46.017 13.829 21.606 1.00 20.00 N ATOM 76 CA ASP A -3 -46.918 12.893 20.957 1.00 20.00 C ATOM 77 C ASP A -3 -47.661 12.098 22.022 1.00 20.00 C ATOM 78 O ASP A -3 -47.054 11.578 22.962 1.00 20.00 O ATOM 79 CB ASP A -3 -46.166 11.954 19.996 1.00 20.00 C ATOM 80 CG ASP A -3 -45.179 11.029 20.686 1.00 20.00 C ATOM 81 OD1 ASP A -3 -44.050 11.472 20.988 1.00 20.00 O ATOM 82 OD2 ASP A -3 -45.516 9.846 20.906 1.00 20.00 O ATOM 0 H ASP A -3 -45.654 13.504 22.502 1.00 20.00 H new ATOM 0 HA ASP A -3 -47.633 13.454 20.356 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -46.892 11.352 19.450 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -45.632 12.555 19.260 1.00 20.00 H new ATOM 87 N ASP A -2 -48.975 12.039 21.900 1.00 20.00 N ATOM 88 CA ASP A -2 -49.794 11.354 22.886 1.00 20.00 C ATOM 89 C ASP A -2 -50.736 10.377 22.203 1.00 20.00 C ATOM 90 O ASP A -2 -50.580 9.166 22.352 1.00 20.00 O ATOM 91 CB ASP A -2 -50.575 12.371 23.728 1.00 20.00 C ATOM 92 CG ASP A -2 -51.333 11.726 24.868 1.00 20.00 C ATOM 93 OD1 ASP A -2 -50.685 11.154 25.768 1.00 20.00 O ATOM 94 OD2 ASP A -2 -52.577 11.806 24.884 1.00 20.00 O ATOM 0 H ASP A -2 -49.498 12.456 21.130 1.00 20.00 H new ATOM 0 HA ASP A -2 -49.143 10.788 23.553 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -49.883 13.111 24.130 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -51.276 12.905 23.087 1.00 20.00 H new ATOM 99 N ASP A -1 -51.696 10.918 21.453 1.00 20.00 N ATOM 100 CA ASP A -1 -52.617 10.127 20.626 1.00 20.00 C ATOM 101 C ASP A -1 -53.214 8.941 21.380 1.00 20.00 C ATOM 102 O ASP A -1 -52.650 7.844 21.383 1.00 20.00 O ATOM 103 CB ASP A -1 -51.916 9.628 19.356 1.00 20.00 C ATOM 104 CG ASP A -1 -51.509 10.757 18.433 1.00 20.00 C ATOM 105 OD1 ASP A -1 -52.381 11.284 17.709 1.00 20.00 O ATOM 106 OD2 ASP A -1 -50.313 11.122 18.427 1.00 20.00 O ATOM 0 H ASP A -1 -51.860 11.923 21.400 1.00 20.00 H new ATOM 0 HA ASP A -1 -53.436 10.793 20.355 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -51.032 9.055 19.635 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -52.580 8.949 18.822 1.00 20.00 H new ATOM 111 N ASP A 0 -54.371 9.152 21.989 1.00 20.00 N ATOM 112 CA ASP A 0 -55.047 8.090 22.732 1.00 20.00 C ATOM 113 C ASP A 0 -55.513 6.983 21.794 1.00 20.00 C ATOM 114 O ASP A 0 -55.775 5.858 22.223 1.00 20.00 O ATOM 115 CB ASP A 0 -56.237 8.640 23.524 1.00 20.00 C ATOM 116 CG ASP A 0 -55.814 9.494 24.701 1.00 20.00 C ATOM 117 OD1 ASP A 0 -55.248 8.944 25.671 1.00 20.00 O ATOM 118 OD2 ASP A 0 -56.042 10.722 24.667 1.00 20.00 O ATOM 0 H ASP A 0 -54.863 10.045 21.986 1.00 20.00 H new ATOM 0 HA ASP A 0 -54.327 7.673 23.436 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -56.868 9.231 22.860 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -56.844 7.809 23.883 1.00 20.00 H new ATOM 123 N LYS A 1 -55.612 7.306 20.512 1.00 20.00 N ATOM 124 CA LYS A 1 -55.983 6.323 19.501 1.00 20.00 C ATOM 125 C LYS A 1 -54.761 5.529 19.051 1.00 20.00 C ATOM 126 O LYS A 1 -54.889 4.529 18.349 1.00 20.00 O ATOM 127 CB LYS A 1 -56.627 7.002 18.288 1.00 20.00 C ATOM 128 CG LYS A 1 -57.946 7.697 18.595 1.00 20.00 C ATOM 129 CD LYS A 1 -58.493 8.414 17.368 1.00 20.00 C ATOM 130 CE LYS A 1 -58.907 7.435 16.279 1.00 20.00 C ATOM 131 NZ LYS A 1 -59.321 8.132 15.035 1.00 20.00 N ATOM 0 H LYS A 1 -55.440 8.242 20.146 1.00 20.00 H new ATOM 0 HA LYS A 1 -56.707 5.643 19.949 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -55.929 7.733 17.881 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -56.794 6.255 17.512 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -58.673 6.964 18.944 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -57.802 8.414 19.404 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -59.351 9.023 17.655 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -57.736 9.094 16.977 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -58.077 6.764 16.060 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -59.729 6.817 16.640 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -59.595 7.430 14.319 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -60.130 8.754 15.238 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -58.528 8.701 14.676 1.00 20.00 H new ATOM 145 N ASN A 2 -53.582 5.993 19.470 1.00 20.00 N ATOM 146 CA ASN A 2 -52.303 5.366 19.124 1.00 20.00 C ATOM 147 C ASN A 2 -52.020 5.459 17.625 1.00 20.00 C ATOM 148 O ASN A 2 -52.792 6.065 16.875 1.00 20.00 O ATOM 149 CB ASN A 2 -52.261 3.896 19.573 1.00 20.00 C ATOM 150 CG ASN A 2 -52.398 3.736 21.077 1.00 20.00 C ATOM 151 OD1 ASN A 2 -52.018 4.615 21.848 1.00 20.00 O ATOM 152 ND2 ASN A 2 -52.938 2.607 21.507 1.00 20.00 N ATOM 0 H ASN A 2 -53.486 6.818 20.062 1.00 20.00 H new ATOM 0 HA ASN A 2 -51.527 5.916 19.656 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -53.063 3.347 19.079 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -51.322 3.448 19.249 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -53.050 2.444 22.508 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -53.242 1.900 20.838 1.00 20.00 H new ATOM 159 N ARG A 3 -50.895 4.869 17.212 1.00 20.00 N ATOM 160 CA ARG A 3 -50.483 4.809 15.807 1.00 20.00 C ATOM 161 C ARG A 3 -50.014 6.157 15.270 1.00 20.00 C ATOM 162 O ARG A 3 -50.697 7.177 15.393 1.00 20.00 O ATOM 163 CB ARG A 3 -51.602 4.254 14.917 1.00 20.00 C ATOM 164 CG ARG A 3 -51.644 2.738 14.867 1.00 20.00 C ATOM 165 CD ARG A 3 -50.374 2.183 14.241 1.00 20.00 C ATOM 166 NE ARG A 3 -50.391 0.728 14.139 1.00 20.00 N ATOM 167 CZ ARG A 3 -49.316 -0.003 13.852 1.00 20.00 C ATOM 168 NH1 ARG A 3 -48.146 0.589 13.639 1.00 20.00 N ATOM 169 NH2 ARG A 3 -49.416 -1.322 13.773 1.00 20.00 N ATOM 0 H ARG A 3 -50.239 4.416 17.848 1.00 20.00 H new ATOM 0 HA ARG A 3 -49.633 4.128 15.775 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -52.561 4.624 15.280 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -51.475 4.639 13.905 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -51.762 2.340 15.875 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -52.511 2.412 14.292 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -50.245 2.612 13.247 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -49.514 2.492 14.836 1.00 20.00 H new ATOM 0 HE ARG A 3 -51.275 0.244 14.296 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -48.071 1.605 13.695 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -47.323 0.028 13.419 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -50.316 -1.776 13.932 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -48.593 -1.884 13.553 1.00 20.00 H new ATOM 183 N ALA A 4 -48.835 6.146 14.667 1.00 20.00 N ATOM 184 CA ALA A 4 -48.310 7.317 13.990 1.00 20.00 C ATOM 185 C ALA A 4 -49.033 7.498 12.664 1.00 20.00 C ATOM 186 O ALA A 4 -49.424 6.514 12.031 1.00 20.00 O ATOM 187 CB ALA A 4 -46.812 7.166 13.767 1.00 20.00 C ATOM 0 H ALA A 4 -48.222 5.332 14.634 1.00 20.00 H new ATOM 0 HA ALA A 4 -48.475 8.199 14.608 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -46.429 8.051 13.258 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -46.310 7.055 14.728 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -46.622 6.285 13.154 1.00 20.00 H new ATOM 193 N LEU A 5 -49.216 8.741 12.235 1.00 20.00 N ATOM 194 CA LEU A 5 -49.936 9.019 10.994 1.00 20.00 C ATOM 195 C LEU A 5 -49.029 8.873 9.773 1.00 20.00 C ATOM 196 O LEU A 5 -49.265 9.481 8.730 1.00 20.00 O ATOM 197 CB LEU A 5 -50.592 10.413 11.041 1.00 20.00 C ATOM 198 CG LEU A 5 -49.729 11.565 11.586 1.00 20.00 C ATOM 199 CD1 LEU A 5 -48.627 11.955 10.613 1.00 20.00 C ATOM 200 CD2 LEU A 5 -50.599 12.771 11.905 1.00 20.00 C ATOM 0 H LEU A 5 -48.878 9.570 12.724 1.00 20.00 H new ATOM 0 HA LEU A 5 -50.729 8.277 10.897 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -50.909 10.674 10.031 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -51.493 10.345 11.651 1.00 20.00 H new ATOM 0 HG LEU A 5 -49.253 11.214 12.501 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -48.041 12.771 11.035 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -47.979 11.097 10.435 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -49.071 12.277 9.671 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -49.975 13.578 12.290 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -51.106 13.104 10.999 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -51.340 12.496 12.655 1.00 20.00 H new ATOM 212 N SER A 6 -48.009 8.034 9.924 1.00 20.00 N ATOM 213 CA SER A 6 -47.030 7.773 8.875 1.00 20.00 C ATOM 214 C SER A 6 -46.370 9.060 8.375 1.00 20.00 C ATOM 215 O SER A 6 -46.635 9.514 7.262 1.00 20.00 O ATOM 216 CB SER A 6 -47.695 7.019 7.722 1.00 20.00 C ATOM 217 OG SER A 6 -48.218 5.782 8.174 1.00 20.00 O ATOM 0 H SER A 6 -47.838 7.513 10.784 1.00 20.00 H new ATOM 0 HA SER A 6 -46.239 7.155 9.299 1.00 20.00 H new ATOM 0 HB2 SER A 6 -48.495 7.625 7.297 1.00 20.00 H new ATOM 0 HB3 SER A 6 -46.970 6.845 6.927 1.00 20.00 H new ATOM 0 HG SER A 6 -48.641 5.313 7.425 1.00 20.00 H new ATOM 223 N PRO A 7 -45.497 9.664 9.197 1.00 20.00 N ATOM 224 CA PRO A 7 -44.779 10.879 8.815 1.00 20.00 C ATOM 225 C PRO A 7 -43.619 10.581 7.867 1.00 20.00 C ATOM 226 O PRO A 7 -43.311 11.369 6.972 1.00 20.00 O ATOM 227 CB PRO A 7 -44.271 11.422 10.151 1.00 20.00 C ATOM 228 CG PRO A 7 -44.125 10.221 11.024 1.00 20.00 C ATOM 229 CD PRO A 7 -45.154 9.221 10.563 1.00 20.00 C ATOM 0 HA PRO A 7 -45.410 11.584 8.274 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -43.320 11.941 10.031 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -44.973 12.138 10.579 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -43.120 9.806 10.946 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -44.281 10.482 12.071 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -44.754 8.207 10.565 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -46.029 9.220 11.213 1.00 20.00 H new ATOM 237 N MET A 8 -42.992 9.429 8.064 1.00 20.00 N ATOM 238 CA MET A 8 -41.878 8.999 7.234 1.00 20.00 C ATOM 239 C MET A 8 -41.626 7.512 7.460 1.00 20.00 C ATOM 240 O MET A 8 -40.605 7.115 8.022 1.00 20.00 O ATOM 241 CB MET A 8 -40.616 9.809 7.555 1.00 20.00 C ATOM 242 CG MET A 8 -39.453 9.524 6.619 1.00 20.00 C ATOM 243 SD MET A 8 -37.976 10.466 7.038 1.00 20.00 S ATOM 244 CE MET A 8 -36.842 9.880 5.783 1.00 20.00 C ATOM 0 H MET A 8 -43.241 8.769 8.801 1.00 20.00 H new ATOM 0 HA MET A 8 -42.129 9.170 6.187 1.00 20.00 H new ATOM 0 HB2 MET A 8 -40.855 10.871 7.510 1.00 20.00 H new ATOM 0 HB3 MET A 8 -40.308 9.595 8.578 1.00 20.00 H new ATOM 0 HG2 MET A 8 -39.221 8.459 6.649 1.00 20.00 H new ATOM 0 HG3 MET A 8 -39.750 9.757 5.596 1.00 20.00 H new ATOM 0 HE1 MET A 8 -35.877 10.371 5.907 1.00 20.00 H new ATOM 0 HE2 MET A 8 -36.716 8.802 5.881 1.00 20.00 H new ATOM 0 HE3 MET A 8 -37.242 10.110 4.795 1.00 20.00 H new ATOM 254 N VAL A 9 -42.584 6.699 7.054 1.00 20.00 N ATOM 255 CA VAL A 9 -42.485 5.261 7.239 1.00 20.00 C ATOM 256 C VAL A 9 -42.172 4.574 5.917 1.00 20.00 C ATOM 257 O VAL A 9 -42.704 4.944 4.867 1.00 20.00 O ATOM 258 CB VAL A 9 -43.777 4.666 7.850 1.00 20.00 C ATOM 259 CG1 VAL A 9 -44.061 5.289 9.208 1.00 20.00 C ATOM 260 CG2 VAL A 9 -44.967 4.851 6.919 1.00 20.00 C ATOM 0 H VAL A 9 -43.440 7.009 6.594 1.00 20.00 H new ATOM 0 HA VAL A 9 -41.671 5.081 7.941 1.00 20.00 H new ATOM 0 HB VAL A 9 -43.620 3.595 7.983 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -44.973 4.859 9.622 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -43.227 5.090 9.881 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -44.187 6.366 9.095 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -45.858 4.422 7.378 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -45.127 5.914 6.740 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -44.769 4.349 5.972 1.00 20.00 H new ATOM 270 N SER A 10 -41.277 3.601 5.963 1.00 20.00 N ATOM 271 CA SER A 10 -40.868 2.871 4.774 1.00 20.00 C ATOM 272 C SER A 10 -40.312 1.506 5.162 1.00 20.00 C ATOM 273 O SER A 10 -39.113 1.251 5.051 1.00 20.00 O ATOM 274 CB SER A 10 -39.817 3.666 3.993 1.00 20.00 C ATOM 275 OG SER A 10 -40.304 4.957 3.657 1.00 20.00 O ATOM 0 H SER A 10 -40.816 3.296 6.820 1.00 20.00 H new ATOM 0 HA SER A 10 -41.740 2.729 4.136 1.00 20.00 H new ATOM 0 HB2 SER A 10 -38.909 3.759 4.589 1.00 20.00 H new ATOM 0 HB3 SER A 10 -39.548 3.127 3.085 1.00 20.00 H new ATOM 0 HG SER A 10 -41.277 4.979 3.771 1.00 20.00 H new ATOM 281 N GLU A 11 -41.196 0.632 5.621 1.00 20.00 N ATOM 282 CA GLU A 11 -40.803 -0.701 6.053 1.00 20.00 C ATOM 283 C GLU A 11 -40.592 -1.615 4.849 1.00 20.00 C ATOM 284 O GLU A 11 -41.309 -2.598 4.653 1.00 20.00 O ATOM 285 CB GLU A 11 -41.853 -1.308 6.995 1.00 20.00 C ATOM 286 CG GLU A 11 -42.039 -0.564 8.313 1.00 20.00 C ATOM 287 CD GLU A 11 -42.733 0.775 8.156 1.00 20.00 C ATOM 288 OE1 GLU A 11 -43.919 0.788 7.752 1.00 20.00 O ATOM 289 OE2 GLU A 11 -42.101 1.815 8.432 1.00 20.00 O ATOM 0 H GLU A 11 -42.194 0.823 5.704 1.00 20.00 H new ATOM 0 HA GLU A 11 -39.863 -0.611 6.597 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -42.810 -1.341 6.475 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -41.572 -2.339 7.213 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -42.618 -1.187 8.995 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -41.064 -0.408 8.774 1.00 20.00 H new ATOM 296 N PHE A 12 -39.606 -1.267 4.040 1.00 20.00 N ATOM 297 CA PHE A 12 -39.250 -2.045 2.868 1.00 20.00 C ATOM 298 C PHE A 12 -37.940 -2.774 3.119 1.00 20.00 C ATOM 299 O PHE A 12 -36.976 -2.178 3.600 1.00 20.00 O ATOM 300 CB PHE A 12 -39.107 -1.139 1.641 1.00 20.00 C ATOM 301 CG PHE A 12 -40.396 -0.519 1.173 1.00 20.00 C ATOM 302 CD1 PHE A 12 -40.903 0.616 1.786 1.00 20.00 C ATOM 303 CD2 PHE A 12 -41.102 -1.071 0.114 1.00 20.00 C ATOM 304 CE1 PHE A 12 -42.083 1.187 1.355 1.00 20.00 C ATOM 305 CE2 PHE A 12 -42.283 -0.504 -0.320 1.00 20.00 C ATOM 306 CZ PHE A 12 -42.774 0.626 0.300 1.00 20.00 C ATOM 0 H PHE A 12 -39.030 -0.437 4.178 1.00 20.00 H new ATOM 0 HA PHE A 12 -40.042 -2.768 2.676 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -38.398 -0.344 1.872 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -38.679 -1.719 0.824 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -40.367 1.060 2.612 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -40.723 -1.955 -0.377 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -42.465 2.072 1.842 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -42.823 -0.945 -1.145 1.00 20.00 H new ATOM 0 HZ PHE A 12 -43.698 1.071 -0.039 1.00 20.00 H new ATOM 316 N GLU A 13 -37.893 -4.053 2.785 1.00 20.00 N ATOM 317 CA GLU A 13 -36.690 -4.845 2.995 1.00 20.00 C ATOM 318 C GLU A 13 -35.747 -4.700 1.808 1.00 20.00 C ATOM 319 O GLU A 13 -35.202 -5.679 1.300 1.00 20.00 O ATOM 320 CB GLU A 13 -37.040 -6.313 3.235 1.00 20.00 C ATOM 321 CG GLU A 13 -37.731 -6.558 4.566 1.00 20.00 C ATOM 322 CD GLU A 13 -36.895 -6.084 5.735 1.00 20.00 C ATOM 323 OE1 GLU A 13 -35.738 -6.540 5.866 1.00 20.00 O ATOM 324 OE2 GLU A 13 -37.389 -5.260 6.530 1.00 20.00 O ATOM 0 H GLU A 13 -38.671 -4.565 2.368 1.00 20.00 H new ATOM 0 HA GLU A 13 -36.183 -4.472 3.885 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -37.686 -6.661 2.429 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -36.128 -6.908 3.192 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -38.692 -6.044 4.576 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -37.938 -7.622 4.676 1.00 20.00 H new ATOM 331 N THR A 14 -35.560 -3.461 1.385 1.00 20.00 N ATOM 332 CA THR A 14 -34.706 -3.142 0.256 1.00 20.00 C ATOM 333 C THR A 14 -33.240 -3.425 0.582 1.00 20.00 C ATOM 334 O THR A 14 -32.826 -3.378 1.745 1.00 20.00 O ATOM 335 CB THR A 14 -34.879 -1.665 -0.158 1.00 20.00 C ATOM 336 OG1 THR A 14 -34.086 -1.367 -1.314 1.00 20.00 O ATOM 337 CG2 THR A 14 -34.494 -0.736 0.981 1.00 20.00 C ATOM 0 H THR A 14 -35.998 -2.647 1.817 1.00 20.00 H new ATOM 0 HA THR A 14 -35.004 -3.778 -0.577 1.00 20.00 H new ATOM 0 HB THR A 14 -35.930 -1.508 -0.400 1.00 20.00 H new ATOM 0 HG1 THR A 14 -34.210 -0.427 -1.562 1.00 20.00 H new ATOM 0 HG21 THR A 14 -34.624 0.299 0.666 1.00 20.00 H new ATOM 0 HG22 THR A 14 -35.130 -0.935 1.844 1.00 20.00 H new ATOM 0 HG23 THR A 14 -33.452 -0.905 1.252 1.00 20.00 H new ATOM 345 N ILE A 15 -32.464 -3.718 -0.448 1.00 20.00 N ATOM 346 CA ILE A 15 -31.058 -4.059 -0.282 1.00 20.00 C ATOM 347 C ILE A 15 -30.168 -2.826 -0.370 1.00 20.00 C ATOM 348 O ILE A 15 -29.188 -2.800 -1.112 1.00 20.00 O ATOM 349 CB ILE A 15 -30.597 -5.102 -1.323 1.00 20.00 C ATOM 350 CG1 ILE A 15 -30.945 -4.646 -2.742 1.00 20.00 C ATOM 351 CG2 ILE A 15 -31.225 -6.454 -1.027 1.00 20.00 C ATOM 352 CD1 ILE A 15 -30.378 -5.533 -3.824 1.00 20.00 C ATOM 0 H ILE A 15 -32.786 -3.727 -1.416 1.00 20.00 H new ATOM 0 HA ILE A 15 -30.961 -4.492 0.713 1.00 20.00 H new ATOM 0 HB ILE A 15 -29.513 -5.199 -1.256 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -32.029 -4.610 -2.846 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -30.577 -3.630 -2.888 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.892 -7.180 -1.768 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.924 -6.785 -0.033 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -32.311 -6.367 -1.067 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -30.667 -5.145 -4.801 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.291 -5.550 -3.748 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -30.766 -6.545 -3.706 1.00 20.00 H new ATOM 364 N GLU A 16 -30.508 -1.800 0.391 1.00 20.00 N ATOM 365 CA GLU A 16 -29.721 -0.579 0.392 1.00 20.00 C ATOM 366 C GLU A 16 -28.634 -0.600 1.463 1.00 20.00 C ATOM 367 O GLU A 16 -27.448 -0.658 1.147 1.00 20.00 O ATOM 368 CB GLU A 16 -30.616 0.647 0.554 1.00 20.00 C ATOM 369 CG GLU A 16 -31.390 0.988 -0.707 1.00 20.00 C ATOM 370 CD GLU A 16 -30.486 1.126 -1.918 1.00 20.00 C ATOM 371 OE1 GLU A 16 -29.386 1.704 -1.785 1.00 20.00 O ATOM 372 OE2 GLU A 16 -30.862 0.637 -3.005 1.00 20.00 O ATOM 0 H GLU A 16 -31.317 -1.787 1.012 1.00 20.00 H new ATOM 0 HA GLU A 16 -29.223 -0.518 -0.575 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -31.319 0.472 1.369 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -30.003 1.502 0.840 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -32.132 0.212 -0.897 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -31.935 1.920 -0.555 1.00 20.00 H new ATOM 379 N GLN A 17 -29.029 -0.563 2.726 1.00 20.00 N ATOM 380 CA GLN A 17 -28.059 -0.471 3.812 1.00 20.00 C ATOM 381 C GLN A 17 -27.620 -1.843 4.301 1.00 20.00 C ATOM 382 O GLN A 17 -26.481 -2.256 4.094 1.00 20.00 O ATOM 383 CB GLN A 17 -28.631 0.314 4.991 1.00 20.00 C ATOM 384 CG GLN A 17 -28.989 1.751 4.666 1.00 20.00 C ATOM 385 CD GLN A 17 -29.440 2.513 5.895 1.00 20.00 C ATOM 386 OE1 GLN A 17 -29.994 1.932 6.831 1.00 20.00 O ATOM 387 NE2 GLN A 17 -29.206 3.812 5.907 1.00 20.00 N ATOM 0 H GLN A 17 -30.004 -0.595 3.025 1.00 20.00 H new ATOM 0 HA GLN A 17 -27.191 0.051 3.409 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -29.522 -0.197 5.355 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -27.905 0.307 5.804 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.125 2.250 4.226 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -29.781 1.767 3.918 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -28.745 4.254 5.112 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -29.486 4.373 6.711 1.00 20.00 H new ATOM 396 N GLU A 18 -28.529 -2.538 4.956 1.00 20.00 N ATOM 397 CA GLU A 18 -28.202 -3.786 5.623 1.00 20.00 C ATOM 398 C GLU A 18 -28.394 -4.973 4.690 1.00 20.00 C ATOM 399 O GLU A 18 -27.504 -5.803 4.540 1.00 20.00 O ATOM 400 CB GLU A 18 -29.040 -3.955 6.910 1.00 20.00 C ATOM 401 CG GLU A 18 -30.554 -4.031 6.702 1.00 20.00 C ATOM 402 CD GLU A 18 -31.140 -2.790 6.057 1.00 20.00 C ATOM 403 OE1 GLU A 18 -31.420 -1.812 6.776 1.00 20.00 O ATOM 404 OE2 GLU A 18 -31.310 -2.783 4.817 1.00 20.00 O ATOM 0 H GLU A 18 -29.506 -2.259 5.042 1.00 20.00 H new ATOM 0 HA GLU A 18 -27.150 -3.751 5.905 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -28.714 -4.862 7.419 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -28.823 -3.120 7.577 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -30.784 -4.897 6.081 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -31.037 -4.193 7.666 1.00 20.00 H new ATOM 411 N ASN A 19 -29.537 -5.021 4.026 1.00 20.00 N ATOM 412 CA ASN A 19 -29.894 -6.162 3.188 1.00 20.00 C ATOM 413 C ASN A 19 -28.956 -6.319 1.991 1.00 20.00 C ATOM 414 O ASN A 19 -28.948 -7.360 1.342 1.00 20.00 O ATOM 415 CB ASN A 19 -31.348 -6.057 2.728 1.00 20.00 C ATOM 416 CG ASN A 19 -32.328 -6.372 3.844 1.00 20.00 C ATOM 417 OD1 ASN A 19 -32.047 -7.185 4.722 1.00 20.00 O ATOM 418 ND2 ASN A 19 -33.479 -5.724 3.824 1.00 20.00 N ATOM 0 H ASN A 19 -30.239 -4.281 4.049 1.00 20.00 H new ATOM 0 HA ASN A 19 -29.782 -7.058 3.799 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -31.537 -5.051 2.354 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -31.514 -6.742 1.897 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -34.171 -5.891 4.554 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -33.676 -5.057 3.078 1.00 20.00 H new ATOM 425 N SER A 20 -28.171 -5.294 1.696 1.00 20.00 N ATOM 426 CA SER A 20 -27.189 -5.383 0.624 1.00 20.00 C ATOM 427 C SER A 20 -26.007 -6.260 1.040 1.00 20.00 C ATOM 428 O SER A 20 -25.595 -7.159 0.305 1.00 20.00 O ATOM 429 CB SER A 20 -26.705 -3.987 0.243 1.00 20.00 C ATOM 430 OG SER A 20 -26.428 -3.223 1.401 1.00 20.00 O ATOM 0 H SER A 20 -28.193 -4.396 2.180 1.00 20.00 H new ATOM 0 HA SER A 20 -27.664 -5.843 -0.242 1.00 20.00 H new ATOM 0 HB2 SER A 20 -25.809 -4.062 -0.373 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.463 -3.485 -0.358 1.00 20.00 H new ATOM 0 HG SER A 20 -26.794 -2.320 1.293 1.00 20.00 H new ATOM 436 N TYR A 21 -25.477 -6.005 2.228 1.00 20.00 N ATOM 437 CA TYR A 21 -24.316 -6.739 2.716 1.00 20.00 C ATOM 438 C TYR A 21 -24.733 -7.967 3.519 1.00 20.00 C ATOM 439 O TYR A 21 -24.183 -9.052 3.334 1.00 20.00 O ATOM 440 CB TYR A 21 -23.433 -5.837 3.577 1.00 20.00 C ATOM 441 CG TYR A 21 -22.867 -4.640 2.844 1.00 20.00 C ATOM 442 CD1 TYR A 21 -21.987 -4.804 1.780 1.00 20.00 C ATOM 443 CD2 TYR A 21 -23.205 -3.346 3.221 1.00 20.00 C ATOM 444 CE1 TYR A 21 -21.464 -3.713 1.114 1.00 20.00 C ATOM 445 CE2 TYR A 21 -22.683 -2.253 2.562 1.00 20.00 C ATOM 446 CZ TYR A 21 -21.814 -2.440 1.509 1.00 20.00 C ATOM 447 OH TYR A 21 -21.287 -1.348 0.856 1.00 20.00 O ATOM 0 H TYR A 21 -25.831 -5.297 2.871 1.00 20.00 H new ATOM 0 HA TYR A 21 -23.749 -7.072 1.846 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -24.014 -5.485 4.429 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -22.608 -6.428 3.975 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -21.708 -5.800 1.470 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -23.888 -3.194 4.044 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -20.784 -3.857 0.287 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -22.954 -1.254 2.870 1.00 20.00 H new ATOM 0 HH TYR A 21 -21.637 -0.526 1.258 1.00 20.00 H new ATOM 457 N ASN A 22 -25.713 -7.793 4.398 1.00 20.00 N ATOM 458 CA ASN A 22 -26.157 -8.866 5.288 1.00 20.00 C ATOM 459 C ASN A 22 -26.663 -10.070 4.501 1.00 20.00 C ATOM 460 O ASN A 22 -26.325 -11.206 4.818 1.00 20.00 O ATOM 461 CB ASN A 22 -27.244 -8.365 6.246 1.00 20.00 C ATOM 462 CG ASN A 22 -26.695 -7.469 7.345 1.00 20.00 C ATOM 463 OD1 ASN A 22 -26.534 -6.263 7.161 1.00 20.00 O ATOM 464 ND2 ASN A 22 -26.418 -8.048 8.502 1.00 20.00 N ATOM 0 H ASN A 22 -26.219 -6.915 4.516 1.00 20.00 H new ATOM 0 HA ASN A 22 -25.294 -9.183 5.873 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -27.997 -7.817 5.679 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -27.746 -9.221 6.698 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -26.058 -7.492 9.278 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -26.564 -9.051 8.618 1.00 20.00 H new ATOM 471 N GLU A 23 -27.450 -9.822 3.462 1.00 20.00 N ATOM 472 CA GLU A 23 -27.988 -10.902 2.636 1.00 20.00 C ATOM 473 C GLU A 23 -26.862 -11.641 1.918 1.00 20.00 C ATOM 474 O GLU A 23 -26.920 -12.856 1.722 1.00 20.00 O ATOM 475 CB GLU A 23 -28.985 -10.341 1.621 1.00 20.00 C ATOM 476 CG GLU A 23 -29.608 -11.388 0.713 1.00 20.00 C ATOM 477 CD GLU A 23 -30.489 -10.776 -0.354 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.962 -10.394 -1.424 1.00 20.00 O ATOM 479 OE2 GLU A 23 -31.712 -10.670 -0.133 1.00 20.00 O ATOM 0 H GLU A 23 -27.731 -8.886 3.169 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.505 -11.610 3.284 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -29.780 -9.823 2.158 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -28.479 -9.597 1.005 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.818 -11.970 0.238 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -30.197 -12.081 1.313 1.00 20.00 H new ATOM 486 N TRP A 24 -25.834 -10.897 1.542 1.00 20.00 N ATOM 487 CA TRP A 24 -24.678 -11.463 0.864 1.00 20.00 C ATOM 488 C TRP A 24 -23.841 -12.284 1.845 1.00 20.00 C ATOM 489 O TRP A 24 -23.189 -13.259 1.468 1.00 20.00 O ATOM 490 CB TRP A 24 -23.845 -10.333 0.243 1.00 20.00 C ATOM 491 CG TRP A 24 -22.650 -10.804 -0.527 1.00 20.00 C ATOM 492 CD1 TRP A 24 -21.343 -10.544 -0.244 1.00 20.00 C ATOM 493 CD2 TRP A 24 -22.655 -11.616 -1.704 1.00 20.00 C ATOM 494 NE1 TRP A 24 -20.531 -11.143 -1.175 1.00 20.00 N ATOM 495 CE2 TRP A 24 -21.314 -11.809 -2.082 1.00 20.00 C ATOM 496 CE3 TRP A 24 -23.663 -12.201 -2.475 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -20.956 -12.559 -3.198 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -23.306 -12.945 -3.583 1.00 20.00 C ATOM 499 CH2 TRP A 24 -21.963 -13.120 -3.934 1.00 20.00 C ATOM 0 H TRP A 24 -25.777 -9.890 1.697 1.00 20.00 H new ATOM 0 HA TRP A 24 -25.012 -12.129 0.068 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -24.483 -9.748 -0.420 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -23.512 -9.664 1.036 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.996 -9.953 0.591 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -19.512 -11.100 -1.189 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -24.702 -12.074 -2.210 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -19.920 -12.693 -3.473 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -24.077 -13.399 -4.188 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -21.716 -13.710 -4.804 1.00 20.00 H new ATOM 510 N LEU A 25 -23.886 -11.892 3.111 1.00 20.00 N ATOM 511 CA LEU A 25 -23.134 -12.569 4.157 1.00 20.00 C ATOM 512 C LEU A 25 -23.861 -13.842 4.591 1.00 20.00 C ATOM 513 O LEU A 25 -23.265 -14.920 4.652 1.00 20.00 O ATOM 514 CB LEU A 25 -22.931 -11.608 5.347 1.00 20.00 C ATOM 515 CG LEU A 25 -21.920 -12.035 6.427 1.00 20.00 C ATOM 516 CD1 LEU A 25 -22.488 -13.115 7.335 1.00 20.00 C ATOM 517 CD2 LEU A 25 -20.624 -12.507 5.789 1.00 20.00 C ATOM 0 H LEU A 25 -24.441 -11.102 3.440 1.00 20.00 H new ATOM 0 HA LEU A 25 -22.155 -12.859 3.775 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -22.617 -10.642 4.952 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -23.897 -11.457 5.829 1.00 20.00 H new ATOM 0 HG LEU A 25 -21.712 -11.161 7.044 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -21.745 -13.389 8.083 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -23.382 -12.739 7.832 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -22.745 -13.992 6.741 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -19.922 -12.804 6.568 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -20.827 -13.358 5.139 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -20.192 -11.697 5.201 1.00 20.00 H new ATOM 529 N ARG A 26 -25.155 -13.711 4.869 1.00 20.00 N ATOM 530 CA ARG A 26 -25.960 -14.827 5.364 1.00 20.00 C ATOM 531 C ARG A 26 -26.004 -15.966 4.350 1.00 20.00 C ATOM 532 O ARG A 26 -25.942 -17.138 4.720 1.00 20.00 O ATOM 533 CB ARG A 26 -27.385 -14.362 5.690 1.00 20.00 C ATOM 534 CG ARG A 26 -27.450 -13.258 6.737 1.00 20.00 C ATOM 535 CD ARG A 26 -28.874 -12.762 6.950 1.00 20.00 C ATOM 536 NE ARG A 26 -29.709 -13.756 7.619 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.041 -13.715 7.651 1.00 20.00 C ATOM 538 NH1 ARG A 26 -31.699 -12.756 7.008 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.711 -14.644 8.320 1.00 20.00 N ATOM 0 H ARG A 26 -25.672 -12.839 4.760 1.00 20.00 H new ATOM 0 HA ARG A 26 -25.490 -15.196 6.276 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -27.860 -14.009 4.774 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -27.964 -15.216 6.041 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -27.049 -13.628 7.681 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -26.818 -12.426 6.427 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -28.854 -11.848 7.543 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -29.316 -12.507 5.987 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.243 -14.531 8.092 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -31.185 -12.046 6.486 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -32.718 -12.730 7.036 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.207 -15.385 8.807 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.730 -14.617 8.348 1.00 20.00 H new ATOM 553 N ALA A 27 -26.080 -15.611 3.072 1.00 20.00 N ATOM 554 CA ALA A 27 -26.154 -16.598 2.001 1.00 20.00 C ATOM 555 C ALA A 27 -24.832 -17.337 1.834 1.00 20.00 C ATOM 556 O ALA A 27 -24.783 -18.425 1.257 1.00 20.00 O ATOM 557 CB ALA A 27 -26.545 -15.929 0.699 1.00 20.00 C ATOM 0 H ALA A 27 -26.092 -14.643 2.752 1.00 20.00 H new ATOM 0 HA ALA A 27 -26.916 -17.329 2.272 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -26.597 -16.676 -0.093 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -27.519 -15.453 0.813 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -25.801 -15.176 0.439 1.00 20.00 H new ATOM 563 N LYS A 28 -23.762 -16.734 2.327 1.00 20.00 N ATOM 564 CA LYS A 28 -22.448 -17.352 2.268 1.00 20.00 C ATOM 565 C LYS A 28 -22.286 -18.334 3.421 1.00 20.00 C ATOM 566 O LYS A 28 -21.791 -19.450 3.237 1.00 20.00 O ATOM 567 CB LYS A 28 -21.345 -16.290 2.312 1.00 20.00 C ATOM 568 CG LYS A 28 -19.939 -16.866 2.214 1.00 20.00 C ATOM 569 CD LYS A 28 -18.889 -15.769 2.115 1.00 20.00 C ATOM 570 CE LYS A 28 -18.862 -14.885 3.357 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.928 -13.741 3.195 1.00 20.00 N ATOM 0 H LYS A 28 -23.778 -15.817 2.773 1.00 20.00 H new ATOM 0 HA LYS A 28 -22.359 -17.892 1.326 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.498 -15.586 1.494 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -21.433 -15.725 3.240 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -19.737 -17.485 3.088 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.871 -17.515 1.341 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -17.907 -16.220 1.970 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -19.090 -15.154 1.238 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -19.865 -14.510 3.559 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -18.564 -15.479 4.221 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -17.936 -13.162 4.059 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.966 -14.099 3.027 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -18.228 -13.160 2.386 1.00 20.00 H new ATOM 585 N VAL A 29 -22.716 -17.914 4.606 1.00 20.00 N ATOM 586 CA VAL A 29 -22.682 -18.771 5.783 1.00 20.00 C ATOM 587 C VAL A 29 -23.577 -19.987 5.577 1.00 20.00 C ATOM 588 O VAL A 29 -23.167 -21.126 5.810 1.00 20.00 O ATOM 589 CB VAL A 29 -23.132 -18.008 7.050 1.00 20.00 C ATOM 590 CG1 VAL A 29 -23.218 -18.944 8.248 1.00 20.00 C ATOM 591 CG2 VAL A 29 -22.186 -16.854 7.342 1.00 20.00 C ATOM 0 H VAL A 29 -23.093 -16.982 4.776 1.00 20.00 H new ATOM 0 HA VAL A 29 -21.651 -19.096 5.925 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.127 -17.602 6.865 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -23.537 -18.383 9.126 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -23.940 -19.734 8.041 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -22.239 -19.386 8.435 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -22.519 -16.328 8.237 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -21.179 -17.240 7.501 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -22.181 -16.165 6.497 1.00 20.00 H new ATOM 601 N ALA A 30 -24.789 -19.736 5.113 1.00 20.00 N ATOM 602 CA ALA A 30 -25.745 -20.793 4.853 1.00 20.00 C ATOM 603 C ALA A 30 -26.554 -20.479 3.602 1.00 20.00 C ATOM 604 O ALA A 30 -27.361 -19.550 3.595 1.00 20.00 O ATOM 605 CB ALA A 30 -26.662 -20.977 6.052 1.00 20.00 C ATOM 0 H ALA A 30 -25.135 -18.799 4.908 1.00 20.00 H new ATOM 0 HA ALA A 30 -25.203 -21.724 4.686 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -27.376 -21.774 5.845 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -26.068 -21.240 6.927 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -27.200 -20.049 6.244 1.00 20.00 H new ATOM 611 N THR A 31 -26.326 -21.247 2.544 1.00 20.00 N ATOM 612 CA THR A 31 -27.037 -21.051 1.287 1.00 20.00 C ATOM 613 C THR A 31 -28.521 -21.373 1.451 1.00 20.00 C ATOM 614 O THR A 31 -29.357 -20.942 0.655 1.00 20.00 O ATOM 615 CB THR A 31 -26.435 -21.908 0.148 1.00 20.00 C ATOM 616 OG1 THR A 31 -27.131 -21.661 -1.084 1.00 20.00 O ATOM 617 CG2 THR A 31 -26.500 -23.390 0.482 1.00 20.00 C ATOM 0 H THR A 31 -25.653 -22.013 2.532 1.00 20.00 H new ATOM 0 HA THR A 31 -26.926 -20.002 1.014 1.00 20.00 H new ATOM 0 HB THR A 31 -25.389 -21.624 0.036 1.00 20.00 H new ATOM 0 HG1 THR A 31 -26.739 -22.208 -1.796 1.00 20.00 H new ATOM 0 HG21 THR A 31 -26.070 -23.967 -0.337 1.00 20.00 H new ATOM 0 HG22 THR A 31 -25.938 -23.582 1.396 1.00 20.00 H new ATOM 0 HG23 THR A 31 -27.539 -23.685 0.627 1.00 20.00 H new ATOM 625 N SER A 32 -28.839 -22.126 2.488 1.00 20.00 N ATOM 626 CA SER A 32 -30.220 -22.427 2.815 1.00 20.00 C ATOM 627 C SER A 32 -30.719 -21.431 3.857 1.00 20.00 C ATOM 628 O SER A 32 -30.576 -21.652 5.060 1.00 20.00 O ATOM 629 CB SER A 32 -30.340 -23.865 3.335 1.00 20.00 C ATOM 630 OG SER A 32 -31.695 -24.241 3.514 1.00 20.00 O ATOM 0 H SER A 32 -28.156 -22.542 3.121 1.00 20.00 H new ATOM 0 HA SER A 32 -30.835 -22.340 1.919 1.00 20.00 H new ATOM 0 HB2 SER A 32 -29.861 -24.548 2.633 1.00 20.00 H new ATOM 0 HB3 SER A 32 -29.808 -23.956 4.282 1.00 20.00 H new ATOM 0 HG SER A 32 -31.738 -25.163 3.844 1.00 20.00 H new ATOM 636 N LEU A 33 -31.274 -20.317 3.388 1.00 20.00 N ATOM 637 CA LEU A 33 -31.762 -19.273 4.281 1.00 20.00 C ATOM 638 C LEU A 33 -32.936 -19.804 5.102 1.00 20.00 C ATOM 639 O LEU A 33 -33.054 -19.525 6.297 1.00 20.00 O ATOM 640 CB LEU A 33 -32.158 -18.024 3.463 1.00 20.00 C ATOM 641 CG LEU A 33 -32.360 -16.708 4.242 1.00 20.00 C ATOM 642 CD1 LEU A 33 -33.682 -16.701 4.996 1.00 20.00 C ATOM 643 CD2 LEU A 33 -31.203 -16.464 5.205 1.00 20.00 C ATOM 0 H LEU A 33 -31.397 -20.115 2.396 1.00 20.00 H new ATOM 0 HA LEU A 33 -30.972 -18.981 4.973 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -31.389 -17.856 2.709 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -33.083 -18.247 2.931 1.00 20.00 H new ATOM 0 HG LEU A 33 -32.385 -15.899 3.512 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -33.790 -15.759 5.533 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -34.504 -16.812 4.289 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -33.700 -17.527 5.707 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -31.368 -15.530 5.743 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -31.142 -17.287 5.917 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -30.270 -16.400 4.644 1.00 20.00 H new ATOM 655 N ALA A 34 -33.782 -20.600 4.464 1.00 20.00 N ATOM 656 CA ALA A 34 -34.913 -21.211 5.142 1.00 20.00 C ATOM 657 C ALA A 34 -34.557 -22.626 5.579 1.00 20.00 C ATOM 658 O ALA A 34 -35.205 -23.601 5.190 1.00 20.00 O ATOM 659 CB ALA A 34 -36.141 -21.209 4.242 1.00 20.00 C ATOM 0 H ALA A 34 -33.705 -20.837 3.475 1.00 20.00 H new ATOM 0 HA ALA A 34 -35.150 -20.626 6.031 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -36.977 -21.670 4.767 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -36.399 -20.183 3.980 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -35.927 -21.772 3.334 1.00 20.00 H new ATOM 665 N ASP A 35 -33.508 -22.728 6.379 1.00 20.00 N ATOM 666 CA ASP A 35 -33.047 -24.013 6.886 1.00 20.00 C ATOM 667 C ASP A 35 -34.068 -24.589 7.863 1.00 20.00 C ATOM 668 O ASP A 35 -34.840 -23.841 8.470 1.00 20.00 O ATOM 669 CB ASP A 35 -31.680 -23.864 7.571 1.00 20.00 C ATOM 670 CG ASP A 35 -31.730 -23.040 8.845 1.00 20.00 C ATOM 671 OD1 ASP A 35 -31.895 -21.804 8.753 1.00 20.00 O ATOM 672 OD2 ASP A 35 -31.578 -23.617 9.940 1.00 20.00 O ATOM 0 H ASP A 35 -32.955 -21.931 6.694 1.00 20.00 H new ATOM 0 HA ASP A 35 -32.938 -24.698 6.046 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -31.288 -24.854 7.803 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -30.982 -23.400 6.874 1.00 20.00 H new ATOM 677 N PRO A 36 -34.113 -25.928 7.994 1.00 20.00 N ATOM 678 CA PRO A 36 -35.022 -26.609 8.923 1.00 20.00 C ATOM 679 C PRO A 36 -34.748 -26.218 10.368 1.00 20.00 C ATOM 680 O PRO A 36 -33.929 -26.835 11.051 1.00 20.00 O ATOM 681 CB PRO A 36 -34.728 -28.099 8.706 1.00 20.00 C ATOM 682 CG PRO A 36 -34.051 -28.168 7.383 1.00 20.00 C ATOM 683 CD PRO A 36 -33.283 -26.887 7.248 1.00 20.00 C ATOM 0 HA PRO A 36 -36.064 -26.346 8.739 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -34.091 -28.495 9.497 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -35.646 -28.687 8.711 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -33.386 -29.030 7.329 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -34.777 -28.275 6.577 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -32.282 -26.969 7.671 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -33.165 -26.594 6.205 1.00 20.00 H new ATOM 691 N ARG A 37 -35.443 -25.191 10.820 1.00 20.00 N ATOM 692 CA ARG A 37 -35.223 -24.622 12.133 1.00 20.00 C ATOM 693 C ARG A 37 -36.409 -23.744 12.507 1.00 20.00 C ATOM 694 O ARG A 37 -36.957 -23.055 11.645 1.00 20.00 O ATOM 695 CB ARG A 37 -33.944 -23.781 12.107 1.00 20.00 C ATOM 696 CG ARG A 37 -33.479 -23.309 13.472 1.00 20.00 C ATOM 697 CD ARG A 37 -32.295 -22.368 13.353 1.00 20.00 C ATOM 698 NE ARG A 37 -31.236 -22.923 12.511 1.00 20.00 N ATOM 699 CZ ARG A 37 -29.981 -23.112 12.911 1.00 20.00 C ATOM 700 NH1 ARG A 37 -29.630 -22.859 14.166 1.00 20.00 N ATOM 701 NH2 ARG A 37 -29.085 -23.581 12.056 1.00 20.00 N ATOM 0 H ARG A 37 -36.177 -24.728 10.284 1.00 20.00 H new ATOM 0 HA ARG A 37 -35.119 -25.418 12.870 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -33.148 -24.366 11.647 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -34.108 -22.911 11.471 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -34.298 -22.804 13.984 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -33.204 -24.169 14.083 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -32.628 -21.417 12.937 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -31.897 -22.159 14.346 1.00 20.00 H new ATOM 0 HE ARG A 37 -31.475 -23.182 11.554 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -30.324 -22.517 14.831 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -28.666 -23.006 14.466 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -29.358 -23.795 11.097 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -28.121 -23.728 12.357 1.00 20.00 H new ATOM 715 N PRO A 38 -36.832 -23.768 13.783 1.00 20.00 N ATOM 716 CA PRO A 38 -37.875 -22.867 14.286 1.00 20.00 C ATOM 717 C PRO A 38 -37.507 -21.414 14.018 1.00 20.00 C ATOM 718 O PRO A 38 -36.323 -21.083 13.927 1.00 20.00 O ATOM 719 CB PRO A 38 -37.907 -23.147 15.797 1.00 20.00 C ATOM 720 CG PRO A 38 -36.657 -23.907 16.090 1.00 20.00 C ATOM 721 CD PRO A 38 -36.334 -24.665 14.836 1.00 20.00 C ATOM 0 HA PRO A 38 -38.840 -23.031 13.805 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -37.944 -22.219 16.367 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -38.790 -23.724 16.070 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -35.844 -23.233 16.359 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -36.800 -24.586 16.931 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -35.264 -24.850 14.738 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -36.829 -25.636 14.810 1.00 20.00 H new ATOM 729 N ALA A 39 -38.516 -20.558 13.876 1.00 20.00 N ATOM 730 CA ALA A 39 -38.300 -19.151 13.550 1.00 20.00 C ATOM 731 C ALA A 39 -37.600 -18.413 14.686 1.00 20.00 C ATOM 732 O ALA A 39 -38.230 -17.709 15.476 1.00 20.00 O ATOM 733 CB ALA A 39 -39.619 -18.477 13.210 1.00 20.00 C ATOM 0 H ALA A 39 -39.497 -20.817 13.982 1.00 20.00 H new ATOM 0 HA ALA A 39 -37.648 -19.109 12.678 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -39.441 -17.429 12.969 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -40.071 -18.974 12.352 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -40.292 -18.544 14.064 1.00 20.00 H new ATOM 739 N ILE A 40 -36.296 -18.601 14.761 1.00 20.00 N ATOM 740 CA ILE A 40 -35.454 -17.955 15.751 1.00 20.00 C ATOM 741 C ILE A 40 -34.202 -17.417 15.061 1.00 20.00 C ATOM 742 O ILE A 40 -33.550 -18.148 14.308 1.00 20.00 O ATOM 743 CB ILE A 40 -35.038 -18.950 16.862 1.00 20.00 C ATOM 744 CG1 ILE A 40 -36.272 -19.595 17.502 1.00 20.00 C ATOM 745 CG2 ILE A 40 -34.201 -18.249 17.923 1.00 20.00 C ATOM 746 CD1 ILE A 40 -35.945 -20.667 18.518 1.00 20.00 C ATOM 0 H ILE A 40 -35.784 -19.215 14.127 1.00 20.00 H new ATOM 0 HA ILE A 40 -36.016 -17.142 16.211 1.00 20.00 H new ATOM 0 HB ILE A 40 -34.435 -19.735 16.405 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -36.866 -18.819 17.985 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -36.892 -20.029 16.717 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -33.918 -18.965 18.695 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -33.302 -17.837 17.464 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -34.782 -17.443 18.371 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -36.869 -21.076 18.926 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -35.378 -21.464 18.037 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -35.352 -20.235 19.324 1.00 20.00 H new ATOM 758 N PRO A 41 -33.877 -16.125 15.269 1.00 20.00 N ATOM 759 CA PRO A 41 -32.666 -15.509 14.715 1.00 20.00 C ATOM 760 C PRO A 41 -31.428 -16.371 14.951 1.00 20.00 C ATOM 761 O PRO A 41 -31.142 -16.766 16.081 1.00 20.00 O ATOM 762 CB PRO A 41 -32.552 -14.198 15.494 1.00 20.00 C ATOM 763 CG PRO A 41 -33.949 -13.855 15.872 1.00 20.00 C ATOM 764 CD PRO A 41 -34.675 -15.163 16.051 1.00 20.00 C ATOM 0 HA PRO A 41 -32.728 -15.377 13.635 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -31.922 -14.316 16.375 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -32.104 -13.414 14.884 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -33.970 -13.270 16.792 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -34.423 -13.250 15.099 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -34.728 -15.449 17.101 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -35.700 -15.104 15.685 1.00 20.00 H new ATOM 772 N HIS A 42 -30.699 -16.653 13.876 1.00 20.00 N ATOM 773 CA HIS A 42 -29.545 -17.549 13.932 1.00 20.00 C ATOM 774 C HIS A 42 -28.474 -17.009 14.869 1.00 20.00 C ATOM 775 O HIS A 42 -27.745 -17.776 15.491 1.00 20.00 O ATOM 776 CB HIS A 42 -28.958 -17.774 12.532 1.00 20.00 C ATOM 777 CG HIS A 42 -29.885 -18.491 11.597 1.00 20.00 C ATOM 778 ND1 HIS A 42 -30.820 -17.842 10.819 1.00 20.00 N ATOM 779 CD2 HIS A 42 -30.018 -19.809 11.317 1.00 20.00 C ATOM 780 CE1 HIS A 42 -31.486 -18.727 10.104 1.00 20.00 C ATOM 781 NE2 HIS A 42 -31.020 -19.927 10.386 1.00 20.00 N ATOM 0 H HIS A 42 -30.887 -16.272 12.949 1.00 20.00 H new ATOM 0 HA HIS A 42 -29.891 -18.506 14.322 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -28.695 -16.809 12.099 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -28.034 -18.346 12.623 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -29.443 -20.617 11.746 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -32.279 -18.506 9.405 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -31.350 -20.802 9.979 1.00 20.00 H new ATOM 790 N ASP A 43 -28.399 -15.687 14.981 1.00 20.00 N ATOM 791 CA ASP A 43 -27.440 -15.048 15.876 1.00 20.00 C ATOM 792 C ASP A 43 -27.777 -15.373 17.322 1.00 20.00 C ATOM 793 O ASP A 43 -26.892 -15.521 18.162 1.00 20.00 O ATOM 794 CB ASP A 43 -27.445 -13.531 15.683 1.00 20.00 C ATOM 795 CG ASP A 43 -27.281 -13.130 14.236 1.00 20.00 C ATOM 796 OD1 ASP A 43 -28.302 -13.063 13.520 1.00 20.00 O ATOM 797 OD2 ASP A 43 -26.139 -12.874 13.805 1.00 20.00 O ATOM 0 H ASP A 43 -28.991 -15.037 14.463 1.00 20.00 H new ATOM 0 HA ASP A 43 -26.448 -15.431 15.638 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -28.380 -13.123 16.066 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -26.640 -13.091 16.272 1.00 20.00 H new ATOM 802 N GLU A 44 -29.068 -15.500 17.594 1.00 20.00 N ATOM 803 CA GLU A 44 -29.542 -15.810 18.932 1.00 20.00 C ATOM 804 C GLU A 44 -29.265 -17.275 19.248 1.00 20.00 C ATOM 805 O GLU A 44 -28.897 -17.625 20.370 1.00 20.00 O ATOM 806 CB GLU A 44 -31.042 -15.519 19.040 1.00 20.00 C ATOM 807 CG GLU A 44 -31.579 -15.584 20.456 1.00 20.00 C ATOM 808 CD GLU A 44 -31.124 -14.413 21.300 1.00 20.00 C ATOM 809 OE1 GLU A 44 -30.007 -14.465 21.855 1.00 20.00 O ATOM 810 OE2 GLU A 44 -31.883 -13.429 21.408 1.00 20.00 O ATOM 0 H GLU A 44 -29.808 -15.392 16.901 1.00 20.00 H new ATOM 0 HA GLU A 44 -29.014 -15.185 19.652 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -31.240 -14.528 18.632 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -31.586 -16.233 18.422 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -32.668 -15.606 20.428 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -31.253 -16.513 20.923 1.00 20.00 H new ATOM 817 N VAL A 45 -29.430 -18.127 18.240 1.00 20.00 N ATOM 818 CA VAL A 45 -29.167 -19.551 18.391 1.00 20.00 C ATOM 819 C VAL A 45 -27.694 -19.797 18.685 1.00 20.00 C ATOM 820 O VAL A 45 -27.357 -20.478 19.649 1.00 20.00 O ATOM 821 CB VAL A 45 -29.573 -20.349 17.137 1.00 20.00 C ATOM 822 CG1 VAL A 45 -29.267 -21.828 17.323 1.00 20.00 C ATOM 823 CG2 VAL A 45 -31.046 -20.139 16.824 1.00 20.00 C ATOM 0 H VAL A 45 -29.745 -17.853 17.309 1.00 20.00 H new ATOM 0 HA VAL A 45 -29.773 -19.896 19.229 1.00 20.00 H new ATOM 0 HB VAL A 45 -28.990 -19.983 16.292 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -29.560 -22.376 16.427 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -28.199 -21.960 17.495 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -29.822 -22.210 18.180 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -31.314 -20.710 15.935 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -31.649 -20.476 17.667 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -31.232 -19.080 16.645 1.00 20.00 H new ATOM 833 N GLU A 46 -26.821 -19.220 17.861 1.00 20.00 N ATOM 834 CA GLU A 46 -25.373 -19.351 18.054 1.00 20.00 C ATOM 835 C GLU A 46 -24.965 -18.838 19.432 1.00 20.00 C ATOM 836 O GLU A 46 -23.987 -19.303 20.021 1.00 20.00 O ATOM 837 CB GLU A 46 -24.602 -18.589 16.971 1.00 20.00 C ATOM 838 CG GLU A 46 -24.867 -19.090 15.559 1.00 20.00 C ATOM 839 CD GLU A 46 -24.377 -20.505 15.340 1.00 20.00 C ATOM 840 OE1 GLU A 46 -23.156 -20.690 15.156 1.00 20.00 O ATOM 841 OE2 GLU A 46 -25.206 -21.442 15.350 1.00 20.00 O ATOM 0 H GLU A 46 -27.088 -18.657 17.053 1.00 20.00 H new ATOM 0 HA GLU A 46 -25.124 -20.410 17.980 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -24.865 -17.533 17.027 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -23.534 -18.663 17.178 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -25.937 -19.045 15.357 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -24.379 -18.426 14.845 1.00 20.00 H new ATOM 848 N ARG A 47 -25.724 -17.879 19.936 1.00 20.00 N ATOM 849 CA ARG A 47 -25.494 -17.324 21.260 1.00 20.00 C ATOM 850 C ARG A 47 -25.890 -18.327 22.345 1.00 20.00 C ATOM 851 O ARG A 47 -25.051 -18.757 23.137 1.00 20.00 O ATOM 852 CB ARG A 47 -26.280 -16.021 21.416 1.00 20.00 C ATOM 853 CG ARG A 47 -26.188 -15.394 22.798 1.00 20.00 C ATOM 854 CD ARG A 47 -26.913 -14.060 22.839 1.00 20.00 C ATOM 855 NE ARG A 47 -26.308 -13.086 21.933 1.00 20.00 N ATOM 856 CZ ARG A 47 -26.977 -12.406 20.999 1.00 20.00 C ATOM 857 NH1 ARG A 47 -28.275 -12.622 20.802 1.00 20.00 N ATOM 858 NH2 ARG A 47 -26.340 -11.516 20.252 1.00 20.00 N ATOM 0 H ARG A 47 -26.514 -17.465 19.441 1.00 20.00 H new ATOM 0 HA ARG A 47 -24.431 -17.112 21.373 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -25.919 -15.303 20.680 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -27.328 -16.213 21.187 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -26.619 -16.069 23.537 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -25.142 -15.252 23.068 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -27.959 -14.206 22.570 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -26.897 -13.669 23.856 1.00 20.00 H new ATOM 0 HE ARG A 47 -25.306 -12.914 22.020 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -28.769 -13.313 21.367 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -28.776 -12.097 20.086 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -25.343 -11.353 20.392 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -26.847 -10.994 19.537 1.00 20.00 H new ATOM 872 N ARG A 48 -27.159 -18.717 22.359 1.00 20.00 N ATOM 873 CA ARG A 48 -27.682 -19.598 23.400 1.00 20.00 C ATOM 874 C ARG A 48 -27.032 -20.980 23.336 1.00 20.00 C ATOM 875 O ARG A 48 -26.734 -21.583 24.364 1.00 20.00 O ATOM 876 CB ARG A 48 -29.201 -19.724 23.266 1.00 20.00 C ATOM 877 CG ARG A 48 -29.878 -20.392 24.456 1.00 20.00 C ATOM 878 CD ARG A 48 -29.647 -19.618 25.747 1.00 20.00 C ATOM 879 NE ARG A 48 -30.569 -20.033 26.804 1.00 20.00 N ATOM 880 CZ ARG A 48 -30.663 -19.435 27.993 1.00 20.00 C ATOM 881 NH1 ARG A 48 -29.805 -18.483 28.340 1.00 20.00 N ATOM 882 NH2 ARG A 48 -31.598 -19.818 28.852 1.00 20.00 N ATOM 0 H ARG A 48 -27.847 -18.437 21.660 1.00 20.00 H new ATOM 0 HA ARG A 48 -27.441 -19.158 24.368 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -29.627 -18.730 23.131 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -29.429 -20.294 22.365 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -30.949 -20.472 24.267 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -29.497 -21.407 24.568 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -28.620 -19.768 26.081 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -29.768 -18.551 25.558 1.00 20.00 H new ATOM 0 HE ARG A 48 -31.179 -20.830 26.621 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -29.066 -18.203 27.695 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -29.885 -18.032 29.251 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -32.243 -20.568 28.603 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -31.672 -19.363 29.762 1.00 20.00 H new ATOM 896 N MET A 49 -26.795 -21.463 22.123 1.00 20.00 N ATOM 897 CA MET A 49 -26.215 -22.787 21.918 1.00 20.00 C ATOM 898 C MET A 49 -24.801 -22.856 22.485 1.00 20.00 C ATOM 899 O MET A 49 -24.346 -23.914 22.921 1.00 20.00 O ATOM 900 CB MET A 49 -26.196 -23.134 20.429 1.00 20.00 C ATOM 901 CG MET A 49 -25.791 -24.568 20.139 1.00 20.00 C ATOM 902 SD MET A 49 -26.923 -25.774 20.859 1.00 20.00 S ATOM 903 CE MET A 49 -28.435 -25.388 19.979 1.00 20.00 C ATOM 0 H MET A 49 -26.996 -20.956 21.261 1.00 20.00 H new ATOM 0 HA MET A 49 -26.835 -23.512 22.445 1.00 20.00 H new ATOM 0 HB2 MET A 49 -27.187 -22.954 20.011 1.00 20.00 H new ATOM 0 HB3 MET A 49 -25.508 -22.461 19.918 1.00 20.00 H new ATOM 0 HG2 MET A 49 -25.747 -24.717 19.060 1.00 20.00 H new ATOM 0 HG3 MET A 49 -24.787 -24.743 20.526 1.00 20.00 H new ATOM 0 HE1 MET A 49 -29.129 -26.224 20.064 1.00 20.00 H new ATOM 0 HE2 MET A 49 -28.888 -24.495 20.409 1.00 20.00 H new ATOM 0 HE3 MET A 49 -28.209 -25.210 18.928 1.00 20.00 H new ATOM 913 N ALA A 50 -24.120 -21.718 22.488 1.00 20.00 N ATOM 914 CA ALA A 50 -22.758 -21.637 22.993 1.00 20.00 C ATOM 915 C ALA A 50 -22.691 -22.043 24.460 1.00 20.00 C ATOM 916 O ALA A 50 -21.887 -22.898 24.843 1.00 20.00 O ATOM 917 CB ALA A 50 -22.213 -20.232 22.809 1.00 20.00 C ATOM 0 H ALA A 50 -24.493 -20.833 22.144 1.00 20.00 H new ATOM 0 HA ALA A 50 -22.143 -22.333 22.423 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -21.193 -20.184 23.191 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -22.216 -19.976 21.749 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -22.838 -19.525 23.355 1.00 20.00 H new ATOM 923 N GLU A 51 -23.549 -21.443 25.276 1.00 20.00 N ATOM 924 CA GLU A 51 -23.569 -21.747 26.699 1.00 20.00 C ATOM 925 C GLU A 51 -24.175 -23.124 26.942 1.00 20.00 C ATOM 926 O GLU A 51 -23.843 -23.790 27.916 1.00 20.00 O ATOM 927 CB GLU A 51 -24.332 -20.677 27.490 1.00 20.00 C ATOM 928 CG GLU A 51 -25.837 -20.682 27.272 1.00 20.00 C ATOM 929 CD GLU A 51 -26.559 -19.740 28.213 1.00 20.00 C ATOM 930 OE1 GLU A 51 -26.702 -20.078 29.408 1.00 20.00 O ATOM 931 OE2 GLU A 51 -26.977 -18.652 27.767 1.00 20.00 O ATOM 0 H GLU A 51 -24.235 -20.749 24.979 1.00 20.00 H new ATOM 0 HA GLU A 51 -22.538 -21.750 27.053 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -24.131 -20.817 28.552 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -23.942 -19.696 27.219 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -26.053 -20.399 26.242 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -26.218 -21.694 27.411 1.00 20.00 H new ATOM 938 N ARG A 52 -25.055 -23.551 26.043 1.00 20.00 N ATOM 939 CA ARG A 52 -25.658 -24.876 26.135 1.00 20.00 C ATOM 940 C ARG A 52 -24.598 -25.958 25.981 1.00 20.00 C ATOM 941 O ARG A 52 -24.573 -26.926 26.735 1.00 20.00 O ATOM 942 CB ARG A 52 -26.746 -25.062 25.073 1.00 20.00 C ATOM 943 CG ARG A 52 -28.018 -24.265 25.332 1.00 20.00 C ATOM 944 CD ARG A 52 -28.703 -24.701 26.619 1.00 20.00 C ATOM 945 NE ARG A 52 -29.044 -26.123 26.604 1.00 20.00 N ATOM 946 CZ ARG A 52 -29.533 -26.782 27.653 1.00 20.00 C ATOM 947 NH1 ARG A 52 -29.744 -26.151 28.799 1.00 20.00 N ATOM 948 NH2 ARG A 52 -29.812 -28.074 27.552 1.00 20.00 N ATOM 0 H ARG A 52 -25.366 -23.000 25.243 1.00 20.00 H new ATOM 0 HA ARG A 52 -26.117 -24.964 27.120 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -26.342 -24.774 24.102 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -27.000 -26.120 25.012 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -27.777 -23.204 25.390 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -28.704 -24.391 24.494 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -28.049 -24.494 27.466 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -29.609 -24.113 26.765 1.00 20.00 H new ATOM 0 HE ARG A 52 -28.899 -26.641 25.738 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -29.532 -25.157 28.880 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -30.119 -26.660 29.600 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -29.652 -28.563 26.671 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -30.186 -28.579 28.355 1.00 20.00 H new ATOM 962 N PHE A 53 -23.715 -25.775 25.006 1.00 20.00 N ATOM 963 CA PHE A 53 -22.650 -26.734 24.746 1.00 20.00 C ATOM 964 C PHE A 53 -21.680 -26.794 25.926 1.00 20.00 C ATOM 965 O PHE A 53 -21.172 -27.863 26.276 1.00 20.00 O ATOM 966 CB PHE A 53 -21.905 -26.354 23.461 1.00 20.00 C ATOM 967 CG PHE A 53 -20.872 -27.363 23.036 1.00 20.00 C ATOM 968 CD1 PHE A 53 -21.252 -28.568 22.465 1.00 20.00 C ATOM 969 CD2 PHE A 53 -19.521 -27.103 23.203 1.00 20.00 C ATOM 970 CE1 PHE A 53 -20.305 -29.492 22.071 1.00 20.00 C ATOM 971 CE2 PHE A 53 -18.570 -28.024 22.811 1.00 20.00 C ATOM 972 CZ PHE A 53 -18.962 -29.220 22.244 1.00 20.00 C ATOM 0 H PHE A 53 -23.717 -24.969 24.381 1.00 20.00 H new ATOM 0 HA PHE A 53 -23.093 -27.722 24.618 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -22.629 -26.228 22.656 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -21.419 -25.389 23.606 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -22.301 -28.786 22.327 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -19.208 -26.169 23.645 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -20.614 -30.427 21.628 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -17.521 -27.809 22.948 1.00 20.00 H new ATOM 0 HZ PHE A 53 -18.220 -29.942 21.936 1.00 20.00 H new ATOM 982 N ALA A 54 -21.443 -25.642 26.542 1.00 20.00 N ATOM 983 CA ALA A 54 -20.548 -25.553 27.687 1.00 20.00 C ATOM 984 C ALA A 54 -21.198 -26.149 28.933 1.00 20.00 C ATOM 985 O ALA A 54 -20.576 -26.927 29.659 1.00 20.00 O ATOM 986 CB ALA A 54 -20.152 -24.105 27.930 1.00 20.00 C ATOM 0 H ALA A 54 -21.861 -24.754 26.265 1.00 20.00 H new ATOM 0 HA ALA A 54 -19.649 -26.130 27.469 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -19.483 -24.050 28.789 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -19.644 -23.714 27.048 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -21.045 -23.512 28.128 1.00 20.00 H new ATOM 992 N LYS A 55 -22.459 -25.797 29.159 1.00 20.00 N ATOM 993 CA LYS A 55 -23.209 -26.295 30.306 1.00 20.00 C ATOM 994 C LYS A 55 -23.447 -27.799 30.183 1.00 20.00 C ATOM 995 O LYS A 55 -23.646 -28.494 31.181 1.00 20.00 O ATOM 996 CB LYS A 55 -24.539 -25.541 30.425 1.00 20.00 C ATOM 997 CG LYS A 55 -25.375 -25.935 31.635 1.00 20.00 C ATOM 998 CD LYS A 55 -26.627 -25.083 31.758 1.00 20.00 C ATOM 999 CE LYS A 55 -26.294 -23.615 32.000 1.00 20.00 C ATOM 1000 NZ LYS A 55 -27.518 -22.796 32.190 1.00 20.00 N ATOM 0 H LYS A 55 -22.986 -25.164 28.558 1.00 20.00 H new ATOM 0 HA LYS A 55 -22.626 -26.122 31.211 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -24.334 -24.471 30.472 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -25.124 -25.714 29.522 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -25.656 -26.985 31.556 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -24.776 -25.833 32.540 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -27.220 -25.176 30.848 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -27.241 -25.456 32.578 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -25.658 -23.527 32.880 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -25.725 -23.227 31.155 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -27.250 -21.804 32.352 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -28.114 -22.860 31.340 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -28.048 -23.150 33.012 1.00 20.00 H new ATOM 1014 N MET A 56 -23.410 -28.294 28.950 1.00 20.00 N ATOM 1015 CA MET A 56 -23.544 -29.722 28.684 1.00 20.00 C ATOM 1016 C MET A 56 -22.349 -30.481 29.255 1.00 20.00 C ATOM 1017 O MET A 56 -22.468 -31.638 29.666 1.00 20.00 O ATOM 1018 CB MET A 56 -23.660 -29.974 27.176 1.00 20.00 C ATOM 1019 CG MET A 56 -23.849 -31.437 26.806 1.00 20.00 C ATOM 1020 SD MET A 56 -23.798 -31.721 25.023 1.00 20.00 S ATOM 1021 CE MET A 56 -25.154 -30.685 24.473 1.00 20.00 C ATOM 0 H MET A 56 -23.287 -27.723 28.114 1.00 20.00 H new ATOM 0 HA MET A 56 -24.451 -30.082 29.169 1.00 20.00 H new ATOM 0 HB2 MET A 56 -24.500 -29.400 26.786 1.00 20.00 H new ATOM 0 HB3 MET A 56 -22.762 -29.599 26.685 1.00 20.00 H new ATOM 0 HG2 MET A 56 -23.072 -32.032 27.286 1.00 20.00 H new ATOM 0 HG3 MET A 56 -24.805 -31.785 27.197 1.00 20.00 H new ATOM 0 HE1 MET A 56 -25.446 -30.974 23.463 1.00 20.00 H new ATOM 0 HE2 MET A 56 -26.003 -30.809 25.146 1.00 20.00 H new ATOM 0 HE3 MET A 56 -24.839 -29.642 24.475 1.00 20.00 H new ATOM 1031 N ARG A 57 -21.195 -29.823 29.276 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.000 -30.396 29.880 1.00 20.00 C ATOM 1033 C ARG A 57 -20.052 -30.235 31.389 1.00 20.00 C ATOM 1034 O ARG A 57 -19.482 -31.041 32.127 1.00 20.00 O ATOM 1035 CB ARG A 57 -18.732 -29.734 29.338 1.00 20.00 C ATOM 1036 CG ARG A 57 -18.456 -30.041 27.879 1.00 20.00 C ATOM 1037 CD ARG A 57 -17.147 -29.419 27.423 1.00 20.00 C ATOM 1038 NE ARG A 57 -16.826 -29.762 26.041 1.00 20.00 N ATOM 1039 CZ ARG A 57 -15.916 -29.123 25.309 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -15.236 -28.106 25.828 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -15.686 -29.505 24.062 1.00 20.00 N ATOM 0 H ARG A 57 -21.063 -28.892 28.881 1.00 20.00 H new ATOM 0 HA ARG A 57 -19.971 -31.455 29.625 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -18.815 -28.654 29.463 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -17.880 -30.059 29.935 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -18.419 -31.121 27.733 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -19.274 -29.664 27.265 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -17.208 -28.335 27.522 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -16.341 -29.754 28.075 1.00 20.00 H new ATOM 0 HE ARG A 57 -17.329 -30.538 25.610 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -15.411 -27.813 26.789 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -14.539 -27.618 25.265 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -16.206 -30.287 23.664 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -14.989 -29.017 23.499 1.00 20.00 H new ATOM 1055 N LYS A 58 -20.736 -29.173 31.825 1.00 20.00 N ATOM 1056 CA LYS A 58 -20.950 -28.879 33.243 1.00 20.00 C ATOM 1057 C LYS A 58 -19.649 -28.446 33.918 1.00 20.00 C ATOM 1058 O LYS A 58 -19.490 -27.280 34.282 1.00 20.00 O ATOM 1059 CB LYS A 58 -21.572 -30.091 33.952 1.00 20.00 C ATOM 1060 CG LYS A 58 -21.843 -29.888 35.434 1.00 20.00 C ATOM 1061 CD LYS A 58 -22.641 -31.053 36.002 1.00 20.00 C ATOM 1062 CE LYS A 58 -22.882 -30.907 37.495 1.00 20.00 C ATOM 1063 NZ LYS A 58 -21.657 -31.178 38.290 1.00 20.00 N ATOM 0 H LYS A 58 -21.159 -28.489 31.198 1.00 20.00 H new ATOM 0 HA LYS A 58 -21.649 -28.046 33.320 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -22.509 -30.344 33.456 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -20.907 -30.946 33.832 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -20.899 -29.792 35.971 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -22.392 -28.958 35.584 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -23.599 -31.122 35.486 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -22.108 -31.984 35.811 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -23.235 -29.898 37.707 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -23.672 -31.592 37.803 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -21.919 -31.368 39.278 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -21.164 -32.005 37.897 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -21.028 -30.350 38.252 1.00 20.00 H new ATOM 1077 N GLU A 59 -18.728 -29.384 34.071 1.00 20.00 N ATOM 1078 CA GLU A 59 -17.424 -29.107 34.656 1.00 20.00 C ATOM 1079 C GLU A 59 -16.466 -30.251 34.348 1.00 20.00 C ATOM 1080 O GLU A 59 -15.417 -30.389 34.984 1.00 20.00 O ATOM 1081 CB GLU A 59 -17.549 -28.902 36.172 1.00 20.00 C ATOM 1082 CG GLU A 59 -18.096 -30.113 36.913 1.00 20.00 C ATOM 1083 CD GLU A 59 -18.369 -29.826 38.372 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -17.412 -29.809 39.173 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -19.546 -29.606 38.728 1.00 20.00 O ATOM 0 H GLU A 59 -18.862 -30.357 33.794 1.00 20.00 H new ATOM 0 HA GLU A 59 -17.028 -28.190 34.220 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -16.569 -28.652 36.577 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -18.199 -28.048 36.361 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -19.017 -30.443 36.433 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -17.384 -30.935 36.835 1.00 20.00 H new ATOM 1092 N ARG A 60 -16.836 -31.048 33.342 1.00 20.00 N ATOM 1093 CA ARG A 60 -16.113 -32.266 32.981 1.00 20.00 C ATOM 1094 C ARG A 60 -16.132 -33.251 34.148 1.00 20.00 C ATOM 1095 O ARG A 60 -17.063 -34.049 34.265 1.00 20.00 O ATOM 1096 CB ARG A 60 -14.677 -31.955 32.540 1.00 20.00 C ATOM 1097 CG ARG A 60 -14.601 -31.012 31.348 1.00 20.00 C ATOM 1098 CD ARG A 60 -13.164 -30.769 30.910 1.00 20.00 C ATOM 1099 NE ARG A 60 -13.081 -29.741 29.873 1.00 20.00 N ATOM 1100 CZ ARG A 60 -12.035 -29.568 29.064 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -10.973 -30.359 29.156 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -12.052 -28.591 28.165 1.00 20.00 N ATOM 0 H ARG A 60 -17.649 -30.864 32.754 1.00 20.00 H new ATOM 0 HA ARG A 60 -16.617 -32.725 32.131 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -14.135 -31.515 33.377 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -14.172 -32.888 32.289 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -15.168 -31.431 30.517 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -15.068 -30.062 31.606 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -12.567 -30.467 31.771 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -12.735 -31.699 30.536 1.00 20.00 H new ATOM 0 HE ARG A 60 -13.877 -29.114 29.761 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -10.952 -31.107 29.850 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -10.178 -30.219 28.533 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -12.863 -27.976 28.095 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -11.254 -28.455 27.544 1.00 20.00 H new ATOM 1116 N SER A 61 -15.110 -33.171 35.001 1.00 20.00 N ATOM 1117 CA SER A 61 -15.047 -33.917 36.260 1.00 20.00 C ATOM 1118 C SER A 61 -15.466 -35.380 36.089 1.00 20.00 C ATOM 1119 O SER A 61 -16.554 -35.781 36.510 1.00 20.00 O ATOM 1120 CB SER A 61 -15.923 -33.233 37.320 1.00 20.00 C ATOM 1121 OG SER A 61 -15.678 -33.764 38.614 1.00 20.00 O ATOM 0 H SER A 61 -14.294 -32.581 34.836 1.00 20.00 H new ATOM 0 HA SER A 61 -14.008 -33.916 36.589 1.00 20.00 H new ATOM 0 HB2 SER A 61 -15.725 -32.161 37.321 1.00 20.00 H new ATOM 0 HB3 SER A 61 -16.975 -33.363 37.065 1.00 20.00 H new ATOM 0 HG SER A 61 -16.248 -33.309 39.268 1.00 20.00 H new ATOM 1127 N LYS A 62 -14.607 -36.177 35.471 1.00 20.00 N ATOM 1128 CA LYS A 62 -14.876 -37.602 35.320 1.00 20.00 C ATOM 1129 C LYS A 62 -14.420 -38.358 36.566 1.00 20.00 C ATOM 1130 O LYS A 62 -13.598 -39.276 36.503 1.00 20.00 O ATOM 1131 CB LYS A 62 -14.202 -38.152 34.057 1.00 20.00 C ATOM 1132 CG LYS A 62 -12.722 -37.824 33.953 1.00 20.00 C ATOM 1133 CD LYS A 62 -12.118 -38.399 32.683 1.00 20.00 C ATOM 1134 CE LYS A 62 -10.657 -38.014 32.539 1.00 20.00 C ATOM 1135 NZ LYS A 62 -10.072 -38.524 31.272 1.00 20.00 N ATOM 0 H LYS A 62 -13.723 -35.866 35.068 1.00 20.00 H new ATOM 0 HA LYS A 62 -15.951 -37.746 35.208 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -14.326 -39.235 34.034 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -14.714 -37.753 33.181 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -12.585 -36.743 33.966 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -12.197 -38.223 34.821 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -12.210 -39.485 32.694 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -12.677 -38.041 31.818 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -10.563 -36.929 32.571 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -10.093 -38.408 33.384 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -9.073 -38.240 31.212 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -10.139 -39.562 31.252 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -10.594 -38.128 30.464 1.00 20.00 H new ATOM 1149 N GLN A 63 -14.961 -37.951 37.703 1.00 20.00 N ATOM 1150 CA GLN A 63 -14.616 -38.551 38.978 1.00 20.00 C ATOM 1151 C GLN A 63 -15.812 -39.338 39.496 1.00 20.00 C ATOM 1152 O GLN A 63 -15.974 -40.510 39.097 1.00 20.00 O ATOM 1153 CB GLN A 63 -14.215 -37.457 39.978 1.00 20.00 C ATOM 1154 CG GLN A 63 -13.196 -37.891 41.026 1.00 20.00 C ATOM 1155 CD GLN A 63 -13.680 -39.015 41.924 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -14.308 -38.775 42.955 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -13.375 -40.249 41.554 1.00 20.00 N ATOM 1158 OXT GLN A 63 -16.607 -38.772 40.275 1.00 20.00 O ATOM 0 H GLN A 63 -15.648 -37.199 37.766 1.00 20.00 H new ATOM 0 HA GLN A 63 -13.770 -39.227 38.853 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -13.808 -36.610 39.425 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -15.112 -37.104 40.488 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -12.283 -38.209 40.522 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -12.936 -37.032 41.644 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -12.853 -40.409 40.692 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -13.662 -41.040 42.131 1.00 20.00 H new TER 1167 GLN A 63