USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 753 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 62 SER OG : rot -59:sc= -1.85! USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.33 K(o=-3.2,f=-3.8) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0231 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 0.00236 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.6!) USER MOD Single : A 25 TYR OH : rot -61:sc= -1.75 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00171 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -78:sc= 0.962 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 42 CYS SG : rot 74:sc= 0.978 USER MOD Single : A 43 MET CE :methyl 155:sc= -0.028 (180deg=-0.123) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.269 K(o=-0.27,f=-3.3) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.549 X(o=-0.55,f=-0.099) USER MOD Single : A 51 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 TYR OH : rot 180:sc= -0.241 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -2.73 X(o=-2.7,f=-2.4!) USER MOD Single : A 68 GLN : amide:sc=-0.00525 K(o=-0.0053,f=-0.86) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -162:sc= -0.0225 (180deg=-0.226) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -4.11! C(o=-4.1!,f=-7.7!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 27:sc= 0.622 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.799 -2.295 23.730 1.00 0.00 N ATOM 2 CA GLY A 1 27.373 -2.257 23.465 1.00 0.00 C ATOM 3 C GLY A 1 27.028 -1.386 22.273 1.00 0.00 C ATOM 4 O GLY A 1 27.815 -1.268 21.333 1.00 0.00 O ATOM 0 H1 GLY A 1 29.057 -3.229 24.108 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.321 -2.122 22.847 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.043 -1.561 24.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.012 -3.270 23.287 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.852 -1.884 24.347 1.00 0.00 H new ATOM 8 N SER A 2 25.847 -0.776 22.309 1.00 0.00 N ATOM 9 CA SER A 2 25.397 0.083 21.221 1.00 0.00 C ATOM 10 C SER A 2 25.140 1.502 21.720 1.00 0.00 C ATOM 11 O SER A 2 25.189 1.768 22.921 1.00 0.00 O ATOM 12 CB SER A 2 24.126 -0.484 20.586 1.00 0.00 C ATOM 13 OG SER A 2 24.359 -1.772 20.042 1.00 0.00 O ATOM 0 H SER A 2 25.185 -0.861 23.080 1.00 0.00 H new ATOM 0 HA SER A 2 26.185 0.117 20.469 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.335 -0.539 21.334 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.776 0.188 19.802 1.00 0.00 H new ATOM 0 HG SER A 2 23.531 -2.113 19.644 1.00 0.00 H new ATOM 19 N SER A 3 24.866 2.410 20.788 1.00 0.00 N ATOM 20 CA SER A 3 24.605 3.803 21.132 1.00 0.00 C ATOM 21 C SER A 3 23.773 4.482 20.048 1.00 0.00 C ATOM 22 O SER A 3 23.780 4.065 18.891 1.00 0.00 O ATOM 23 CB SER A 3 25.922 4.557 21.328 1.00 0.00 C ATOM 24 OG SER A 3 26.657 4.623 20.119 1.00 0.00 O ATOM 0 H SER A 3 24.819 2.206 19.790 1.00 0.00 H new ATOM 0 HA SER A 3 24.041 3.823 22.065 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.717 5.565 21.688 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.519 4.060 22.093 1.00 0.00 H new ATOM 0 HG SER A 3 27.493 5.111 20.271 1.00 0.00 H new ATOM 30 N GLY A 4 23.056 5.534 20.434 1.00 0.00 N ATOM 31 CA GLY A 4 22.228 6.255 19.485 1.00 0.00 C ATOM 32 C GLY A 4 20.905 5.563 19.226 1.00 0.00 C ATOM 33 O GLY A 4 20.654 5.082 18.121 1.00 0.00 O ATOM 0 H GLY A 4 23.034 5.899 21.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.041 7.261 19.862 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.768 6.362 18.544 1.00 0.00 H new ATOM 37 N SER A 5 20.057 5.509 20.248 1.00 0.00 N ATOM 38 CA SER A 5 18.754 4.865 20.127 1.00 0.00 C ATOM 39 C SER A 5 17.976 5.430 18.942 1.00 0.00 C ATOM 40 O SER A 5 18.357 6.448 18.364 1.00 0.00 O ATOM 41 CB SER A 5 17.949 5.050 21.415 1.00 0.00 C ATOM 42 OG SER A 5 18.539 4.341 22.491 1.00 0.00 O ATOM 0 H SER A 5 20.249 5.903 21.169 1.00 0.00 H new ATOM 0 HA SER A 5 18.917 3.801 19.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.891 6.110 21.662 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.927 4.702 21.262 1.00 0.00 H new ATOM 0 HG SER A 5 18.007 4.477 23.303 1.00 0.00 H new ATOM 48 N SER A 6 16.884 4.762 18.586 1.00 0.00 N ATOM 49 CA SER A 6 16.054 5.194 17.468 1.00 0.00 C ATOM 50 C SER A 6 15.508 6.598 17.708 1.00 0.00 C ATOM 51 O SER A 6 15.088 6.932 18.814 1.00 0.00 O ATOM 52 CB SER A 6 14.898 4.214 17.255 1.00 0.00 C ATOM 53 OG SER A 6 15.323 3.072 16.532 1.00 0.00 O ATOM 0 H SER A 6 16.553 3.919 19.056 1.00 0.00 H new ATOM 0 HA SER A 6 16.675 5.213 16.572 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.495 3.908 18.220 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.091 4.710 16.715 1.00 0.00 H new ATOM 0 HG SER A 6 14.566 2.461 16.411 1.00 0.00 H new ATOM 59 N GLY A 7 15.518 7.417 16.660 1.00 0.00 N ATOM 60 CA GLY A 7 15.022 8.776 16.776 1.00 0.00 C ATOM 61 C GLY A 7 13.526 8.868 16.552 1.00 0.00 C ATOM 62 O GLY A 7 12.738 8.418 17.384 1.00 0.00 O ATOM 0 H GLY A 7 15.861 7.163 15.733 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.263 9.164 17.766 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.534 9.410 16.052 1.00 0.00 H new ATOM 66 N TYR A 8 13.133 9.454 15.427 1.00 0.00 N ATOM 67 CA TYR A 8 11.721 9.608 15.098 1.00 0.00 C ATOM 68 C TYR A 8 11.214 8.410 14.300 1.00 0.00 C ATOM 69 O TYR A 8 10.330 8.543 13.451 1.00 0.00 O ATOM 70 CB TYR A 8 11.498 10.895 14.303 1.00 0.00 C ATOM 71 CG TYR A 8 12.601 11.195 13.314 1.00 0.00 C ATOM 72 CD1 TYR A 8 13.062 10.218 12.440 1.00 0.00 C ATOM 73 CD2 TYR A 8 13.184 12.455 13.253 1.00 0.00 C ATOM 74 CE1 TYR A 8 14.070 10.487 11.535 1.00 0.00 C ATOM 75 CE2 TYR A 8 14.192 12.733 12.351 1.00 0.00 C ATOM 76 CZ TYR A 8 14.632 11.746 11.494 1.00 0.00 C ATOM 77 OH TYR A 8 15.636 12.019 10.594 1.00 0.00 O ATOM 0 H TYR A 8 13.772 9.830 14.727 1.00 0.00 H new ATOM 0 HA TYR A 8 11.161 9.664 16.031 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.551 10.822 13.767 1.00 0.00 H new ATOM 0 HB3 TYR A 8 11.407 11.730 14.998 1.00 0.00 H new ATOM 0 HD1 TYR A 8 12.624 9.231 12.469 1.00 0.00 H new ATOM 0 HD2 TYR A 8 12.843 13.230 13.923 1.00 0.00 H new ATOM 0 HE1 TYR A 8 14.416 9.716 10.863 1.00 0.00 H new ATOM 0 HE2 TYR A 8 14.633 13.718 12.317 1.00 0.00 H new ATOM 0 HH TYR A 8 15.921 12.951 10.695 1.00 0.00 H new ATOM 87 N LEU A 9 11.778 7.240 14.578 1.00 0.00 N ATOM 88 CA LEU A 9 11.384 6.017 13.888 1.00 0.00 C ATOM 89 C LEU A 9 9.903 5.724 14.103 1.00 0.00 C ATOM 90 O LEU A 9 9.535 4.928 14.968 1.00 0.00 O ATOM 91 CB LEU A 9 12.226 4.838 14.379 1.00 0.00 C ATOM 92 CG LEU A 9 12.475 3.722 13.363 1.00 0.00 C ATOM 93 CD1 LEU A 9 11.165 3.268 12.737 1.00 0.00 C ATOM 94 CD2 LEU A 9 13.449 4.186 12.290 1.00 0.00 C ATOM 0 H LEU A 9 12.510 7.112 15.277 1.00 0.00 H new ATOM 0 HA LEU A 9 11.556 6.159 12.821 1.00 0.00 H new ATOM 0 HB2 LEU A 9 13.191 5.220 14.713 1.00 0.00 H new ATOM 0 HB3 LEU A 9 11.736 4.405 15.251 1.00 0.00 H new ATOM 0 HG LEU A 9 12.918 2.873 13.885 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.362 2.474 12.017 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.500 2.895 13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.694 4.109 12.229 1.00 0.00 H new ATOM 0 HD21 LEU A 9 13.615 3.380 11.576 1.00 0.00 H new ATOM 0 HD22 LEU A 9 13.034 5.051 11.772 1.00 0.00 H new ATOM 0 HD23 LEU A 9 14.397 4.461 12.753 1.00 0.00 H new ATOM 106 N LYS A 10 9.056 6.370 13.309 1.00 0.00 N ATOM 107 CA LYS A 10 7.614 6.176 13.409 1.00 0.00 C ATOM 108 C LYS A 10 7.185 4.900 12.693 1.00 0.00 C ATOM 109 O LYS A 10 7.910 4.379 11.844 1.00 0.00 O ATOM 110 CB LYS A 10 6.875 7.379 12.816 1.00 0.00 C ATOM 111 CG LYS A 10 5.500 7.605 13.420 1.00 0.00 C ATOM 112 CD LYS A 10 4.705 8.629 12.626 1.00 0.00 C ATOM 113 CE LYS A 10 3.281 8.753 13.146 1.00 0.00 C ATOM 114 NZ LYS A 10 2.470 9.693 12.324 1.00 0.00 N ATOM 0 H LYS A 10 9.343 7.033 12.589 1.00 0.00 H new ATOM 0 HA LYS A 10 7.358 6.083 14.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.479 8.274 12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.771 7.237 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.954 6.662 13.449 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.605 7.944 14.451 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.200 9.599 12.682 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.686 8.341 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.808 7.771 13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.301 9.099 14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.506 9.750 12.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.907 10.637 12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.430 9.350 11.343 1.00 0.00 H new ATOM 128 N LEU A 11 6.004 4.401 13.039 1.00 0.00 N ATOM 129 CA LEU A 11 5.478 3.185 12.428 1.00 0.00 C ATOM 130 C LEU A 11 4.285 3.499 11.531 1.00 0.00 C ATOM 131 O LEU A 11 3.409 4.284 11.896 1.00 0.00 O ATOM 132 CB LEU A 11 5.067 2.184 13.509 1.00 0.00 C ATOM 133 CG LEU A 11 6.184 1.703 14.438 1.00 0.00 C ATOM 134 CD1 LEU A 11 5.640 0.719 15.461 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.311 1.072 13.634 1.00 0.00 C ATOM 0 H LEU A 11 5.392 4.819 13.740 1.00 0.00 H new ATOM 0 HA LEU A 11 6.265 2.746 11.815 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.285 2.638 14.118 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.627 1.314 13.022 1.00 0.00 H new ATOM 0 HG LEU A 11 6.584 2.565 14.971 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.448 0.388 16.113 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.868 1.204 16.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.213 -0.142 14.947 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.097 0.736 14.311 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.926 0.220 13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.719 1.807 12.941 1.00 0.00 H new ATOM 147 N VAL A 12 4.256 2.879 10.355 1.00 0.00 N ATOM 148 CA VAL A 12 3.169 3.090 9.407 1.00 0.00 C ATOM 149 C VAL A 12 2.683 1.767 8.826 1.00 0.00 C ATOM 150 O VAL A 12 3.317 1.196 7.938 1.00 0.00 O ATOM 151 CB VAL A 12 3.601 4.016 8.254 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.574 3.988 7.133 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.810 5.435 8.762 1.00 0.00 C ATOM 0 H VAL A 12 4.973 2.227 10.037 1.00 0.00 H new ATOM 0 HA VAL A 12 2.356 3.563 9.958 1.00 0.00 H new ATOM 0 HB VAL A 12 4.548 3.654 7.855 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.896 4.648 6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.478 2.971 6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.610 4.325 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.115 6.076 7.935 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.879 5.810 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.586 5.437 9.528 1.00 0.00 H new ATOM 163 N ARG A 13 1.552 1.284 9.332 1.00 0.00 N ATOM 164 CA ARG A 13 0.981 0.028 8.863 1.00 0.00 C ATOM 165 C ARG A 13 -0.185 0.282 7.912 1.00 0.00 C ATOM 166 O ARG A 13 -0.954 1.225 8.095 1.00 0.00 O ATOM 167 CB ARG A 13 0.510 -0.816 10.049 1.00 0.00 C ATOM 168 CG ARG A 13 -0.542 -0.131 10.905 1.00 0.00 C ATOM 169 CD ARG A 13 -0.565 -0.694 12.318 1.00 0.00 C ATOM 170 NE ARG A 13 0.594 -0.268 13.096 1.00 0.00 N ATOM 171 CZ ARG A 13 0.679 -0.392 14.416 1.00 0.00 C ATOM 172 NH1 ARG A 13 -0.322 -0.928 15.101 1.00 0.00 N ATOM 173 NH2 ARG A 13 1.767 0.019 15.054 1.00 0.00 N ATOM 0 H ARG A 13 1.014 1.744 10.066 1.00 0.00 H new ATOM 0 HA ARG A 13 1.756 -0.515 8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.106 -1.757 9.676 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.369 -1.062 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.341 0.940 10.942 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.523 -0.256 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.477 -0.373 12.821 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.592 -1.783 12.274 1.00 0.00 H new ATOM 0 HE ARG A 13 1.382 0.148 12.599 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.160 -1.246 14.614 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.254 -1.022 16.114 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.540 0.431 14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.831 -0.077 16.067 1.00 0.00 H new ATOM 187 N ILE A 14 -0.308 -0.566 6.896 1.00 0.00 N ATOM 188 CA ILE A 14 -1.379 -0.434 5.917 1.00 0.00 C ATOM 189 C ILE A 14 -2.286 -1.659 5.925 1.00 0.00 C ATOM 190 O ILE A 14 -1.821 -2.788 6.083 1.00 0.00 O ATOM 191 CB ILE A 14 -0.821 -0.231 4.496 1.00 0.00 C ATOM 192 CG1 ILE A 14 -0.113 1.121 4.390 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.939 -0.331 3.468 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.942 2.279 4.900 1.00 0.00 C ATOM 0 H ILE A 14 0.321 -1.352 6.730 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.958 0.445 6.200 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.094 -1.017 4.292 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.820 1.078 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.150 1.304 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.529 -0.185 2.469 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.403 -1.315 3.530 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.687 0.436 3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.377 3.205 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.864 2.348 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.183 2.119 5.951 1.00 0.00 H new ATOM 206 N TYR A 15 -3.583 -1.430 5.752 1.00 0.00 N ATOM 207 CA TYR A 15 -4.557 -2.516 5.740 1.00 0.00 C ATOM 208 C TYR A 15 -4.873 -2.948 4.311 1.00 0.00 C ATOM 209 O TYR A 15 -5.687 -2.327 3.627 1.00 0.00 O ATOM 210 CB TYR A 15 -5.841 -2.085 6.450 1.00 0.00 C ATOM 211 CG TYR A 15 -5.642 -1.750 7.911 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.421 -2.751 8.849 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.675 -0.433 8.353 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.239 -2.450 10.185 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.492 -0.123 9.687 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.275 -1.134 10.599 1.00 0.00 C ATOM 217 OH TYR A 15 -5.094 -0.829 11.929 1.00 0.00 O ATOM 0 H TYR A 15 -3.985 -0.502 5.618 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.124 -3.365 6.270 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.254 -1.215 5.939 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.578 -2.884 6.366 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.391 -3.782 8.528 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.847 0.362 7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -5.069 -3.240 10.901 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.519 0.906 10.014 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.147 0.142 12.052 1.00 0.00 H new ATOM 227 N THR A 16 -4.222 -4.018 3.866 1.00 0.00 N ATOM 228 CA THR A 16 -4.432 -4.535 2.519 1.00 0.00 C ATOM 229 C THR A 16 -5.884 -4.950 2.310 1.00 0.00 C ATOM 230 O THR A 16 -6.499 -5.559 3.185 1.00 0.00 O ATOM 231 CB THR A 16 -3.518 -5.741 2.232 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.614 -6.110 0.852 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.896 -6.927 3.106 1.00 0.00 C ATOM 0 H THR A 16 -3.545 -4.544 4.419 1.00 0.00 H new ATOM 0 HA THR A 16 -4.185 -3.729 1.828 1.00 0.00 H new ATOM 0 HB THR A 16 -2.492 -5.454 2.461 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.029 -6.876 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.237 -7.766 2.885 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.795 -6.652 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.928 -7.213 2.904 1.00 0.00 H new ATOM 241 N LYS A 17 -6.427 -4.618 1.143 1.00 0.00 N ATOM 242 CA LYS A 17 -7.806 -4.958 0.817 1.00 0.00 C ATOM 243 C LYS A 17 -7.861 -6.021 -0.276 1.00 0.00 C ATOM 244 O LYS A 17 -7.553 -5.765 -1.440 1.00 0.00 O ATOM 245 CB LYS A 17 -8.568 -3.710 0.367 1.00 0.00 C ATOM 246 CG LYS A 17 -10.064 -3.929 0.222 1.00 0.00 C ATOM 247 CD LYS A 17 -10.777 -2.653 -0.191 1.00 0.00 C ATOM 248 CE LYS A 17 -12.218 -2.636 0.297 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.094 -1.819 -0.588 1.00 0.00 N ATOM 0 H LYS A 17 -5.932 -4.114 0.407 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.276 -5.360 1.715 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.395 -2.910 1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.165 -3.373 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.249 -4.706 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.474 -4.286 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.245 -1.791 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.758 -2.560 -1.277 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.598 -3.657 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.253 -2.238 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.914 -1.478 -0.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.558 -1.006 -0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.423 -2.402 -1.384 1.00 0.00 H new ATOM 263 N PRO A 18 -8.263 -7.243 0.105 1.00 0.00 N ATOM 264 CA PRO A 18 -8.369 -8.368 -0.829 1.00 0.00 C ATOM 265 C PRO A 18 -9.514 -8.193 -1.820 1.00 0.00 C ATOM 266 O PRO A 18 -10.597 -7.730 -1.459 1.00 0.00 O ATOM 267 CB PRO A 18 -8.633 -9.565 0.088 1.00 0.00 C ATOM 268 CG PRO A 18 -9.263 -8.980 1.304 1.00 0.00 C ATOM 269 CD PRO A 18 -8.646 -7.619 1.476 1.00 0.00 C ATOM 0 HA PRO A 18 -7.475 -8.473 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.292 -10.291 -0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.708 -10.087 0.334 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.344 -8.906 1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -9.079 -9.605 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.353 -6.909 1.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.782 -7.650 2.140 1.00 0.00 H new ATOM 277 N LYS A 19 -9.270 -8.567 -3.071 1.00 0.00 N ATOM 278 CA LYS A 19 -10.281 -8.453 -4.116 1.00 0.00 C ATOM 279 C LYS A 19 -11.477 -9.350 -3.815 1.00 0.00 C ATOM 280 O LYS A 19 -11.335 -10.565 -3.680 1.00 0.00 O ATOM 281 CB LYS A 19 -9.683 -8.820 -5.475 1.00 0.00 C ATOM 282 CG LYS A 19 -9.305 -10.286 -5.597 1.00 0.00 C ATOM 283 CD LYS A 19 -8.550 -10.562 -6.887 1.00 0.00 C ATOM 284 CE LYS A 19 -7.110 -10.078 -6.804 1.00 0.00 C ATOM 285 NZ LYS A 19 -6.221 -11.089 -6.169 1.00 0.00 N ATOM 0 H LYS A 19 -8.380 -8.952 -3.387 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.623 -7.419 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.401 -8.572 -6.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.797 -8.209 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.690 -10.576 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -10.206 -10.899 -5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.564 -11.632 -7.096 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.054 -10.068 -7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.745 -9.851 -7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -7.071 -9.150 -6.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.249 -10.721 -6.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.554 -11.287 -5.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.238 -11.966 -6.728 1.00 0.00 H new ATOM 299 N GLY A 20 -12.656 -8.744 -3.713 1.00 0.00 N ATOM 300 CA GLY A 20 -13.859 -9.504 -3.431 1.00 0.00 C ATOM 301 C GLY A 20 -14.141 -9.613 -1.946 1.00 0.00 C ATOM 302 O GLY A 20 -15.298 -9.605 -1.525 1.00 0.00 O ATOM 0 H GLY A 20 -12.799 -7.740 -3.821 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.708 -9.031 -3.925 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.761 -10.504 -3.853 1.00 0.00 H new ATOM 306 N GLN A 21 -13.082 -9.718 -1.150 1.00 0.00 N ATOM 307 CA GLN A 21 -13.222 -9.832 0.297 1.00 0.00 C ATOM 308 C GLN A 21 -13.011 -8.481 0.972 1.00 0.00 C ATOM 309 O GLN A 21 -12.654 -7.498 0.321 1.00 0.00 O ATOM 310 CB GLN A 21 -12.224 -10.852 0.848 1.00 0.00 C ATOM 311 CG GLN A 21 -12.595 -12.294 0.539 1.00 0.00 C ATOM 312 CD GLN A 21 -11.872 -13.286 1.428 1.00 0.00 C ATOM 313 OE1 GLN A 21 -11.121 -12.901 2.324 1.00 0.00 O ATOM 314 NE2 GLN A 21 -12.096 -14.572 1.185 1.00 0.00 N ATOM 0 H GLN A 21 -12.118 -9.727 -1.482 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.235 -10.172 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.237 -10.643 0.434 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.150 -10.728 1.928 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.671 -12.422 0.658 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.362 -12.510 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -12.727 -14.846 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.638 -15.286 1.752 1.00 0.00 H new ATOM 323 N LEU A 22 -13.233 -8.438 2.281 1.00 0.00 N ATOM 324 CA LEU A 22 -13.068 -7.207 3.046 1.00 0.00 C ATOM 325 C LEU A 22 -11.636 -7.068 3.552 1.00 0.00 C ATOM 326 O LEU A 22 -10.925 -8.053 3.754 1.00 0.00 O ATOM 327 CB LEU A 22 -14.043 -7.180 4.224 1.00 0.00 C ATOM 328 CG LEU A 22 -13.525 -7.771 5.537 1.00 0.00 C ATOM 329 CD1 LEU A 22 -12.704 -6.742 6.298 1.00 0.00 C ATOM 330 CD2 LEU A 22 -14.682 -8.269 6.390 1.00 0.00 C ATOM 0 H LEU A 22 -13.528 -9.242 2.835 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.283 -6.367 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -14.335 -6.146 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.945 -7.720 3.936 1.00 0.00 H new ATOM 0 HG LEU A 22 -12.881 -8.619 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -12.344 -7.180 7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.854 -6.433 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -13.325 -5.874 6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -14.295 -8.686 7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.352 -7.439 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.229 -9.039 5.847 1.00 0.00 H new ATOM 342 N PRO A 23 -11.202 -5.817 3.765 1.00 0.00 N ATOM 343 CA PRO A 23 -9.852 -5.521 4.254 1.00 0.00 C ATOM 344 C PRO A 23 -9.655 -5.941 5.706 1.00 0.00 C ATOM 345 O PRO A 23 -10.316 -5.423 6.607 1.00 0.00 O ATOM 346 CB PRO A 23 -9.752 -3.999 4.119 1.00 0.00 C ATOM 347 CG PRO A 23 -11.161 -3.520 4.185 1.00 0.00 C ATOM 348 CD PRO A 23 -11.995 -4.596 3.546 1.00 0.00 C ATOM 0 HA PRO A 23 -9.089 -6.064 3.696 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -9.150 -3.569 4.919 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -9.281 -3.715 3.178 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.467 -3.350 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.276 -2.573 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.980 -4.668 4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -12.153 -4.405 2.485 1.00 0.00 H new ATOM 356 N ASP A 24 -8.744 -6.882 5.927 1.00 0.00 N ATOM 357 CA ASP A 24 -8.460 -7.370 7.271 1.00 0.00 C ATOM 358 C ASP A 24 -7.790 -6.288 8.113 1.00 0.00 C ATOM 359 O ASP A 24 -7.008 -5.486 7.602 1.00 0.00 O ATOM 360 CB ASP A 24 -7.566 -8.610 7.208 1.00 0.00 C ATOM 361 CG ASP A 24 -8.096 -9.657 6.248 1.00 0.00 C ATOM 362 OD1 ASP A 24 -9.004 -10.418 6.643 1.00 0.00 O ATOM 363 OD2 ASP A 24 -7.601 -9.716 5.102 1.00 0.00 O ATOM 0 H ASP A 24 -8.190 -7.322 5.193 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.407 -7.637 7.741 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.562 -8.316 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.481 -9.044 8.204 1.00 0.00 H new ATOM 368 N TYR A 25 -8.103 -6.272 9.404 1.00 0.00 N ATOM 369 CA TYR A 25 -7.535 -5.286 10.315 1.00 0.00 C ATOM 370 C TYR A 25 -6.991 -5.957 11.573 1.00 0.00 C ATOM 371 O TYR A 25 -6.833 -5.318 12.614 1.00 0.00 O ATOM 372 CB TYR A 25 -8.589 -4.244 10.695 1.00 0.00 C ATOM 373 CG TYR A 25 -9.166 -3.506 9.507 1.00 0.00 C ATOM 374 CD1 TYR A 25 -8.518 -2.400 8.971 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.358 -3.914 8.923 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.042 -1.722 7.887 1.00 0.00 C ATOM 377 CE2 TYR A 25 -10.888 -3.244 7.838 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.226 -2.148 7.324 1.00 0.00 C ATOM 379 OH TYR A 25 -10.751 -1.476 6.244 1.00 0.00 O ATOM 0 H TYR A 25 -8.747 -6.930 9.843 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.710 -4.789 9.804 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.398 -4.737 11.234 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.144 -3.522 11.380 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.589 -2.065 9.409 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.880 -4.770 9.324 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.527 -0.863 7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.815 -3.576 7.394 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.943 -0.549 6.497 1.00 0.00 H new ATOM 389 N THR A 26 -6.705 -7.251 11.469 1.00 0.00 N ATOM 390 CA THR A 26 -6.180 -8.010 12.596 1.00 0.00 C ATOM 391 C THR A 26 -4.656 -8.044 12.574 1.00 0.00 C ATOM 392 O THR A 26 -4.004 -7.757 13.578 1.00 0.00 O ATOM 393 CB THR A 26 -6.714 -9.455 12.598 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.510 -10.054 11.314 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.194 -9.485 12.948 1.00 0.00 C ATOM 0 H THR A 26 -6.828 -7.795 10.615 1.00 0.00 H new ATOM 0 HA THR A 26 -6.517 -7.505 13.501 1.00 0.00 H new ATOM 0 HB THR A 26 -6.167 -10.020 13.353 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.850 -10.973 11.324 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.548 -10.516 12.943 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.342 -9.055 13.939 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.753 -8.906 12.214 1.00 0.00 H new ATOM 403 N SER A 27 -4.093 -8.395 11.422 1.00 0.00 N ATOM 404 CA SER A 27 -2.645 -8.469 11.270 1.00 0.00 C ATOM 405 C SER A 27 -2.201 -7.812 9.967 1.00 0.00 C ATOM 406 O SER A 27 -1.803 -8.477 9.011 1.00 0.00 O ATOM 407 CB SER A 27 -2.181 -9.927 11.303 1.00 0.00 C ATOM 408 OG SER A 27 -2.163 -10.426 12.629 1.00 0.00 O ATOM 0 H SER A 27 -4.618 -8.633 10.580 1.00 0.00 H new ATOM 0 HA SER A 27 -2.190 -7.931 12.101 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.845 -10.537 10.690 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.185 -10.005 10.868 1.00 0.00 H new ATOM 0 HG SER A 27 -1.865 -11.360 12.623 1.00 0.00 H new ATOM 414 N PRO A 28 -2.271 -6.473 9.927 1.00 0.00 N ATOM 415 CA PRO A 28 -1.880 -5.694 8.748 1.00 0.00 C ATOM 416 C PRO A 28 -0.374 -5.721 8.508 1.00 0.00 C ATOM 417 O PRO A 28 0.354 -6.477 9.152 1.00 0.00 O ATOM 418 CB PRO A 28 -2.342 -4.276 9.090 1.00 0.00 C ATOM 419 CG PRO A 28 -2.358 -4.231 10.579 1.00 0.00 C ATOM 420 CD PRO A 28 -2.735 -5.615 11.031 1.00 0.00 C ATOM 0 HA PRO A 28 -2.320 -6.091 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.663 -3.529 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.330 -4.071 8.677 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.382 -3.945 10.971 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.075 -3.494 10.939 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.252 -5.876 11.973 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.810 -5.708 11.188 1.00 0.00 H new ATOM 428 N VAL A 29 0.087 -4.891 7.578 1.00 0.00 N ATOM 429 CA VAL A 29 1.507 -4.819 7.255 1.00 0.00 C ATOM 430 C VAL A 29 2.133 -3.545 7.812 1.00 0.00 C ATOM 431 O VAL A 29 1.885 -2.448 7.312 1.00 0.00 O ATOM 432 CB VAL A 29 1.739 -4.868 5.733 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.109 -3.660 5.057 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.226 -4.948 5.423 1.00 0.00 C ATOM 0 H VAL A 29 -0.502 -4.259 7.035 1.00 0.00 H new ATOM 0 HA VAL A 29 1.981 -5.685 7.716 1.00 0.00 H new ATOM 0 HB VAL A 29 1.261 -5.765 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.283 -3.712 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.036 -3.653 5.251 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.555 -2.748 5.453 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.371 -4.982 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.730 -4.071 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.644 -5.848 5.874 1.00 0.00 H new ATOM 444 N VAL A 30 2.947 -3.699 8.852 1.00 0.00 N ATOM 445 CA VAL A 30 3.611 -2.562 9.477 1.00 0.00 C ATOM 446 C VAL A 30 4.947 -2.266 8.803 1.00 0.00 C ATOM 447 O VAL A 30 5.915 -3.009 8.968 1.00 0.00 O ATOM 448 CB VAL A 30 3.850 -2.807 10.979 1.00 0.00 C ATOM 449 CG1 VAL A 30 3.981 -1.486 11.722 1.00 0.00 C ATOM 450 CG2 VAL A 30 2.727 -3.649 11.566 1.00 0.00 C ATOM 0 H VAL A 30 3.162 -4.600 9.279 1.00 0.00 H new ATOM 0 HA VAL A 30 2.949 -1.705 9.357 1.00 0.00 H new ATOM 0 HB VAL A 30 4.785 -3.356 11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.149 -1.680 12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.822 -0.923 11.318 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.065 -0.908 11.600 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.912 -3.813 12.628 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.778 -3.129 11.439 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.686 -4.610 11.053 1.00 0.00 H new ATOM 460 N LEU A 31 4.992 -1.177 8.045 1.00 0.00 N ATOM 461 CA LEU A 31 6.209 -0.782 7.345 1.00 0.00 C ATOM 462 C LEU A 31 6.874 0.405 8.037 1.00 0.00 C ATOM 463 O LEU A 31 6.221 1.221 8.687 1.00 0.00 O ATOM 464 CB LEU A 31 5.894 -0.428 5.891 1.00 0.00 C ATOM 465 CG LEU A 31 5.153 -1.496 5.086 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.272 -0.851 4.027 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.140 -2.461 4.446 1.00 0.00 C ATOM 0 H LEU A 31 4.200 -0.551 7.899 1.00 0.00 H new ATOM 0 HA LEU A 31 6.900 -1.625 7.365 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.298 0.485 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.831 -0.202 5.382 1.00 0.00 H new ATOM 0 HG LEU A 31 4.514 -2.059 5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.753 -1.627 3.464 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.541 -0.201 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.890 -0.263 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.595 -3.214 3.877 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.805 -1.912 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.728 -2.949 5.223 1.00 0.00 H new ATOM 479 N PRO A 32 8.204 0.505 7.892 1.00 0.00 N ATOM 480 CA PRO A 32 8.985 1.590 8.493 1.00 0.00 C ATOM 481 C PRO A 32 8.713 2.937 7.831 1.00 0.00 C ATOM 482 O PRO A 32 8.789 3.065 6.609 1.00 0.00 O ATOM 483 CB PRO A 32 10.434 1.159 8.252 1.00 0.00 C ATOM 484 CG PRO A 32 10.372 0.274 7.055 1.00 0.00 C ATOM 485 CD PRO A 32 9.046 -0.432 7.130 1.00 0.00 C ATOM 0 HA PRO A 32 8.738 1.736 9.545 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.079 2.020 8.075 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.838 0.630 9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.454 0.854 6.136 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.195 -0.441 7.055 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.637 -0.625 6.138 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.131 -1.395 7.633 1.00 0.00 H new ATOM 493 N TYR A 33 8.396 3.937 8.645 1.00 0.00 N ATOM 494 CA TYR A 33 8.110 5.274 8.137 1.00 0.00 C ATOM 495 C TYR A 33 9.113 5.673 7.059 1.00 0.00 C ATOM 496 O TYR A 33 8.748 5.881 5.902 1.00 0.00 O ATOM 497 CB TYR A 33 8.139 6.293 9.278 1.00 0.00 C ATOM 498 CG TYR A 33 7.389 7.569 8.970 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.956 8.555 8.172 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.114 7.788 9.475 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.275 9.723 7.889 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.425 8.952 9.196 1.00 0.00 C ATOM 503 CZ TYR A 33 6.010 9.917 8.402 1.00 0.00 C ATOM 504 OH TYR A 33 5.327 11.078 8.121 1.00 0.00 O ATOM 0 H TYR A 33 8.330 3.848 9.659 1.00 0.00 H new ATOM 0 HA TYR A 33 7.114 5.262 7.695 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.712 5.837 10.172 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.176 6.538 9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.946 8.406 7.766 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.653 7.035 10.097 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.731 10.481 7.269 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.434 9.106 9.597 1.00 0.00 H new ATOM 0 HH TYR A 33 4.450 11.056 8.558 1.00 0.00 H new ATOM 514 N SER A 34 10.380 5.777 7.448 1.00 0.00 N ATOM 515 CA SER A 34 11.437 6.154 6.516 1.00 0.00 C ATOM 516 C SER A 34 11.156 5.601 5.123 1.00 0.00 C ATOM 517 O SER A 34 11.404 6.266 4.117 1.00 0.00 O ATOM 518 CB SER A 34 12.791 5.646 7.015 1.00 0.00 C ATOM 519 OG SER A 34 13.858 6.317 6.367 1.00 0.00 O ATOM 0 H SER A 34 10.699 5.606 8.401 1.00 0.00 H new ATOM 0 HA SER A 34 11.464 7.242 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.864 5.795 8.092 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.869 4.574 6.836 1.00 0.00 H new ATOM 0 HG SER A 34 14.712 5.975 6.704 1.00 0.00 H new ATOM 525 N ARG A 35 10.636 4.379 5.072 1.00 0.00 N ATOM 526 CA ARG A 35 10.321 3.734 3.803 1.00 0.00 C ATOM 527 C ARG A 35 8.838 3.387 3.722 1.00 0.00 C ATOM 528 O ARG A 35 8.409 2.331 4.187 1.00 0.00 O ATOM 529 CB ARG A 35 11.162 2.468 3.627 1.00 0.00 C ATOM 530 CG ARG A 35 12.650 2.741 3.476 1.00 0.00 C ATOM 531 CD ARG A 35 12.988 3.220 2.073 1.00 0.00 C ATOM 532 NE ARG A 35 13.252 2.109 1.163 1.00 0.00 N ATOM 533 CZ ARG A 35 14.428 1.498 1.070 1.00 0.00 C ATOM 534 NH1 ARG A 35 15.444 1.890 1.827 1.00 0.00 N ATOM 535 NH2 ARG A 35 14.590 0.494 0.218 1.00 0.00 N ATOM 0 H ARG A 35 10.424 3.815 5.895 1.00 0.00 H new ATOM 0 HA ARG A 35 10.557 4.433 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.006 1.816 4.487 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.810 1.927 2.749 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.959 3.492 4.203 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.212 1.834 3.697 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.163 3.817 1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 35 13.861 3.871 2.113 1.00 0.00 H new ATOM 0 HE ARG A 35 12.492 1.784 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.323 2.662 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.346 1.419 1.754 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.811 0.190 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.493 0.026 0.147 1.00 0.00 H new ATOM 549 N THR A 36 8.057 4.285 3.128 1.00 0.00 N ATOM 550 CA THR A 36 6.622 4.076 2.987 1.00 0.00 C ATOM 551 C THR A 36 6.131 4.535 1.619 1.00 0.00 C ATOM 552 O THR A 36 6.194 5.720 1.290 1.00 0.00 O ATOM 553 CB THR A 36 5.835 4.824 4.080 1.00 0.00 C ATOM 554 OG1 THR A 36 6.417 6.112 4.307 1.00 0.00 O ATOM 555 CG2 THR A 36 5.825 4.031 5.378 1.00 0.00 C ATOM 0 H THR A 36 8.395 5.164 2.737 1.00 0.00 H new ATOM 0 HA THR A 36 6.447 3.005 3.092 1.00 0.00 H new ATOM 0 HB THR A 36 4.807 4.945 3.739 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.220 6.015 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.264 4.579 6.135 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.356 3.062 5.209 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.849 3.883 5.722 1.00 0.00 H new ATOM 563 N THR A 37 5.640 3.589 0.823 1.00 0.00 N ATOM 564 CA THR A 37 5.138 3.897 -0.510 1.00 0.00 C ATOM 565 C THR A 37 4.381 2.712 -1.099 1.00 0.00 C ATOM 566 O THR A 37 4.715 1.557 -0.837 1.00 0.00 O ATOM 567 CB THR A 37 6.282 4.286 -1.465 1.00 0.00 C ATOM 568 OG1 THR A 37 7.487 3.609 -1.088 1.00 0.00 O ATOM 569 CG2 THR A 37 6.513 5.790 -1.448 1.00 0.00 C ATOM 0 H THR A 37 5.580 2.604 1.079 1.00 0.00 H new ATOM 0 HA THR A 37 4.459 4.743 -0.405 1.00 0.00 H new ATOM 0 HB THR A 37 6.000 3.989 -2.475 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.209 3.861 -1.701 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.325 6.041 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.604 6.301 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.776 6.106 -0.439 1.00 0.00 H new ATOM 577 N VAL A 38 3.360 3.006 -1.898 1.00 0.00 N ATOM 578 CA VAL A 38 2.556 1.965 -2.526 1.00 0.00 C ATOM 579 C VAL A 38 3.434 0.837 -3.056 1.00 0.00 C ATOM 580 O VAL A 38 3.098 -0.339 -2.924 1.00 0.00 O ATOM 581 CB VAL A 38 1.711 2.530 -3.683 1.00 0.00 C ATOM 582 CG1 VAL A 38 0.931 1.417 -4.368 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.773 3.616 -3.177 1.00 0.00 C ATOM 0 H VAL A 38 3.070 3.957 -2.126 1.00 0.00 H new ATOM 0 HA VAL A 38 1.890 1.573 -1.757 1.00 0.00 H new ATOM 0 HB VAL A 38 2.383 2.975 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.340 1.835 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.626 0.678 -4.766 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.268 0.940 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.184 4.004 -4.008 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.106 3.198 -2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.356 4.425 -2.737 1.00 0.00 H new ATOM 593 N GLU A 39 4.562 1.205 -3.656 1.00 0.00 N ATOM 594 CA GLU A 39 5.489 0.223 -4.206 1.00 0.00 C ATOM 595 C GLU A 39 6.183 -0.554 -3.092 1.00 0.00 C ATOM 596 O GLU A 39 6.452 -1.748 -3.227 1.00 0.00 O ATOM 597 CB GLU A 39 6.532 0.912 -5.089 1.00 0.00 C ATOM 598 CG GLU A 39 7.350 1.963 -4.357 1.00 0.00 C ATOM 599 CD GLU A 39 8.482 2.514 -5.202 1.00 0.00 C ATOM 600 OE1 GLU A 39 9.193 1.709 -5.838 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.657 3.750 -5.227 1.00 0.00 O ATOM 0 H GLU A 39 4.855 2.175 -3.773 1.00 0.00 H new ATOM 0 HA GLU A 39 4.917 -0.479 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.206 0.158 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.028 1.380 -5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.696 2.781 -4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.760 1.529 -3.445 1.00 0.00 H new ATOM 608 N ASP A 40 6.471 0.132 -1.991 1.00 0.00 N ATOM 609 CA ASP A 40 7.134 -0.493 -0.852 1.00 0.00 C ATOM 610 C ASP A 40 6.259 -1.588 -0.248 1.00 0.00 C ATOM 611 O ASP A 40 6.758 -2.625 0.187 1.00 0.00 O ATOM 612 CB ASP A 40 7.466 0.556 0.210 1.00 0.00 C ATOM 613 CG ASP A 40 8.789 1.248 -0.054 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.223 1.271 -1.224 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.390 1.767 0.910 1.00 0.00 O ATOM 0 H ASP A 40 6.256 1.121 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 40 8.060 -0.947 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.670 1.300 0.243 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.498 0.080 1.190 1.00 0.00 H new ATOM 620 N PHE A 41 4.953 -1.348 -0.225 1.00 0.00 N ATOM 621 CA PHE A 41 4.008 -2.312 0.328 1.00 0.00 C ATOM 622 C PHE A 41 3.848 -3.511 -0.603 1.00 0.00 C ATOM 623 O PHE A 41 3.715 -4.649 -0.149 1.00 0.00 O ATOM 624 CB PHE A 41 2.649 -1.650 0.563 1.00 0.00 C ATOM 625 CG PHE A 41 1.510 -2.627 0.631 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.133 -3.351 -0.488 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.816 -2.821 1.815 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.086 -4.251 -0.429 1.00 0.00 C ATOM 629 CE2 PHE A 41 -0.231 -3.719 1.880 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.598 -4.434 0.757 1.00 0.00 C ATOM 0 H PHE A 41 4.524 -0.494 -0.583 1.00 0.00 H new ATOM 0 HA PHE A 41 4.402 -2.664 1.281 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.686 -1.082 1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.458 -0.937 -0.239 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.664 -3.210 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.097 -2.264 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.197 -4.810 -1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.763 -3.862 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.418 -5.135 0.806 1.00 0.00 H new ATOM 640 N CYS A 42 3.863 -3.248 -1.904 1.00 0.00 N ATOM 641 CA CYS A 42 3.718 -4.305 -2.900 1.00 0.00 C ATOM 642 C CYS A 42 4.829 -5.340 -2.759 1.00 0.00 C ATOM 643 O CYS A 42 4.614 -6.530 -2.989 1.00 0.00 O ATOM 644 CB CYS A 42 3.733 -3.711 -4.309 1.00 0.00 C ATOM 645 SG CYS A 42 2.418 -2.509 -4.618 1.00 0.00 S ATOM 0 H CYS A 42 3.974 -2.312 -2.295 1.00 0.00 H new ATOM 0 HA CYS A 42 2.762 -4.800 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.697 -3.231 -4.479 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.648 -4.521 -5.034 1.00 0.00 H new ATOM 0 HG CYS A 42 2.693 -1.397 -4.004 1.00 0.00 H new ATOM 651 N MET A 43 6.016 -4.879 -2.381 1.00 0.00 N ATOM 652 CA MET A 43 7.161 -5.766 -2.210 1.00 0.00 C ATOM 653 C MET A 43 6.917 -6.756 -1.075 1.00 0.00 C ATOM 654 O MET A 43 7.187 -7.949 -1.211 1.00 0.00 O ATOM 655 CB MET A 43 8.426 -4.952 -1.930 1.00 0.00 C ATOM 656 CG MET A 43 8.808 -4.013 -3.062 1.00 0.00 C ATOM 657 SD MET A 43 9.469 -4.885 -4.495 1.00 0.00 S ATOM 658 CE MET A 43 8.594 -4.063 -5.824 1.00 0.00 C ATOM 0 H MET A 43 6.211 -3.897 -2.187 1.00 0.00 H new ATOM 0 HA MET A 43 7.296 -6.327 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.280 -4.370 -1.020 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.254 -5.636 -1.741 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.932 -3.438 -3.363 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.549 -3.299 -2.702 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.171 -4.145 -6.745 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.620 -4.532 -5.963 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.457 -3.011 -5.574 1.00 0.00 H new ATOM 668 N LYS A 44 6.406 -6.253 0.043 1.00 0.00 N ATOM 669 CA LYS A 44 6.125 -7.092 1.202 1.00 0.00 C ATOM 670 C LYS A 44 5.376 -8.355 0.789 1.00 0.00 C ATOM 671 O LYS A 44 5.596 -9.430 1.349 1.00 0.00 O ATOM 672 CB LYS A 44 5.305 -6.315 2.234 1.00 0.00 C ATOM 673 CG LYS A 44 6.147 -5.434 3.141 1.00 0.00 C ATOM 674 CD LYS A 44 6.849 -6.249 4.214 1.00 0.00 C ATOM 675 CE LYS A 44 5.918 -6.559 5.376 1.00 0.00 C ATOM 676 NZ LYS A 44 6.575 -7.421 6.398 1.00 0.00 N ATOM 0 H LYS A 44 6.178 -5.267 0.171 1.00 0.00 H new ATOM 0 HA LYS A 44 7.076 -7.383 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.576 -5.694 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.744 -7.021 2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.888 -4.900 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.513 -4.682 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.217 -7.180 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.718 -5.701 4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.594 -5.628 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.023 -7.057 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.908 -7.610 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.862 -8.320 5.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.415 -6.936 6.774 1.00 0.00 H new ATOM 690 N ILE A 45 4.492 -8.219 -0.193 1.00 0.00 N ATOM 691 CA ILE A 45 3.713 -9.350 -0.682 1.00 0.00 C ATOM 692 C ILE A 45 4.479 -10.125 -1.748 1.00 0.00 C ATOM 693 O ILE A 45 4.743 -11.318 -1.595 1.00 0.00 O ATOM 694 CB ILE A 45 2.362 -8.894 -1.265 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.614 -8.022 -0.255 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.521 -10.099 -1.658 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.670 -8.553 1.160 1.00 0.00 C ATOM 0 H ILE A 45 4.297 -7.337 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 45 3.529 -10.000 0.174 1.00 0.00 H new ATOM 0 HB ILE A 45 2.551 -8.300 -2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.034 -7.016 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.571 -7.938 -0.562 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.570 -9.760 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.052 -10.684 -2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.338 -10.717 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.119 -7.885 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.223 -9.547 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.708 -8.611 1.486 1.00 0.00 H new ATOM 709 N HIS A 46 4.834 -9.439 -2.830 1.00 0.00 N ATOM 710 CA HIS A 46 5.573 -10.063 -3.922 1.00 0.00 C ATOM 711 C HIS A 46 6.448 -9.039 -4.640 1.00 0.00 C ATOM 712 O HIS A 46 6.102 -7.861 -4.723 1.00 0.00 O ATOM 713 CB HIS A 46 4.607 -10.711 -4.914 1.00 0.00 C ATOM 714 CG HIS A 46 5.177 -11.908 -5.610 1.00 0.00 C ATOM 715 ND1 HIS A 46 6.294 -11.849 -6.417 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.779 -13.202 -5.615 1.00 0.00 C ATOM 717 CE1 HIS A 46 6.557 -13.054 -6.889 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.653 -13.894 -6.417 1.00 0.00 N ATOM 0 H HIS A 46 4.622 -8.452 -2.974 1.00 0.00 H new ATOM 0 HA HIS A 46 6.218 -10.833 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.700 -11.006 -4.386 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.315 -9.972 -5.660 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.932 -13.614 -5.087 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.373 -13.310 -7.549 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.611 -14.894 -6.616 1.00 0.00 H new ATOM 727 N LYS A 47 7.583 -9.498 -5.158 1.00 0.00 N ATOM 728 CA LYS A 47 8.508 -8.624 -5.869 1.00 0.00 C ATOM 729 C LYS A 47 8.108 -8.487 -7.335 1.00 0.00 C ATOM 730 O LYS A 47 8.877 -7.984 -8.153 1.00 0.00 O ATOM 731 CB LYS A 47 9.935 -9.166 -5.767 1.00 0.00 C ATOM 732 CG LYS A 47 10.358 -9.501 -4.347 1.00 0.00 C ATOM 733 CD LYS A 47 10.984 -8.303 -3.654 1.00 0.00 C ATOM 734 CE LYS A 47 11.530 -8.675 -2.283 1.00 0.00 C ATOM 735 NZ LYS A 47 10.440 -8.916 -1.299 1.00 0.00 N ATOM 0 H LYS A 47 7.884 -10.471 -5.098 1.00 0.00 H new ATOM 0 HA LYS A 47 8.467 -7.638 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.020 -10.061 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.625 -8.429 -6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.492 -9.839 -3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.070 -10.326 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.789 -7.904 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.241 -7.513 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.147 -9.570 -2.368 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.176 -7.876 -1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.853 -9.167 -0.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.866 -8.054 -1.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.838 -9.696 -1.632 1.00 0.00 H new ATOM 749 N ASN A 48 6.901 -8.937 -7.659 1.00 0.00 N ATOM 750 CA ASN A 48 6.399 -8.864 -9.027 1.00 0.00 C ATOM 751 C ASN A 48 5.000 -8.258 -9.061 1.00 0.00 C ATOM 752 O ASN A 48 4.420 -8.066 -10.132 1.00 0.00 O ATOM 753 CB ASN A 48 6.380 -10.257 -9.660 1.00 0.00 C ATOM 754 CG ASN A 48 7.708 -10.622 -10.294 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.242 -11.707 -10.062 1.00 0.00 O ATOM 756 ND2 ASN A 48 8.248 -9.715 -11.100 1.00 0.00 N ATOM 0 H ASN A 48 6.252 -9.356 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 48 7.068 -8.221 -9.600 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.129 -10.996 -8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.596 -10.299 -10.416 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.141 -9.905 -11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.770 -8.829 -11.263 1.00 0.00 H new ATOM 763 N LEU A 49 4.462 -7.957 -7.885 1.00 0.00 N ATOM 764 CA LEU A 49 3.130 -7.371 -7.779 1.00 0.00 C ATOM 765 C LEU A 49 3.122 -5.938 -8.301 1.00 0.00 C ATOM 766 O LEU A 49 2.099 -5.446 -8.776 1.00 0.00 O ATOM 767 CB LEU A 49 2.653 -7.400 -6.326 1.00 0.00 C ATOM 768 CG LEU A 49 1.426 -6.545 -6.006 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.230 -6.998 -6.830 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.106 -6.607 -4.520 1.00 0.00 C ATOM 0 H LEU A 49 4.928 -8.109 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 49 2.449 -7.964 -8.390 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.431 -8.433 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.475 -7.074 -5.688 1.00 0.00 H new ATOM 0 HG LEU A 49 1.650 -5.510 -6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.634 -6.378 -6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.461 -6.901 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.004 -8.040 -6.601 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.230 -5.993 -4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.902 -7.639 -4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.956 -6.234 -3.949 1.00 0.00 H new ATOM 782 N ILE A 50 4.271 -5.276 -8.212 1.00 0.00 N ATOM 783 CA ILE A 50 4.397 -3.900 -8.678 1.00 0.00 C ATOM 784 C ILE A 50 4.293 -3.824 -10.198 1.00 0.00 C ATOM 785 O ILE A 50 3.811 -2.834 -10.749 1.00 0.00 O ATOM 786 CB ILE A 50 5.732 -3.275 -8.234 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.788 -1.799 -8.634 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.901 -4.038 -8.839 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.976 -0.898 -7.730 1.00 0.00 C ATOM 0 H ILE A 50 5.127 -5.670 -7.822 1.00 0.00 H new ATOM 0 HA ILE A 50 3.577 -3.338 -8.231 1.00 0.00 H new ATOM 0 HB ILE A 50 5.803 -3.340 -7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.826 -1.468 -8.626 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.428 -1.694 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.838 -3.584 -8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.868 -5.076 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.836 -4.001 -9.926 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.061 0.133 -8.072 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.930 -1.204 -7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.351 -0.974 -6.709 1.00 0.00 H new ATOM 801 N LYS A 51 4.747 -4.876 -10.870 1.00 0.00 N ATOM 802 CA LYS A 51 4.703 -4.931 -12.327 1.00 0.00 C ATOM 803 C LYS A 51 3.265 -5.045 -12.824 1.00 0.00 C ATOM 804 O LYS A 51 2.907 -4.468 -13.850 1.00 0.00 O ATOM 805 CB LYS A 51 5.526 -6.115 -12.838 1.00 0.00 C ATOM 806 CG LYS A 51 6.981 -6.077 -12.403 1.00 0.00 C ATOM 807 CD LYS A 51 7.886 -6.749 -13.422 1.00 0.00 C ATOM 808 CE LYS A 51 9.286 -6.156 -13.402 1.00 0.00 C ATOM 809 NZ LYS A 51 9.400 -4.972 -14.297 1.00 0.00 N ATOM 0 H LYS A 51 5.150 -5.703 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 51 5.130 -4.006 -12.714 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.074 -7.041 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.481 -6.135 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.293 -5.042 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.086 -6.573 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.940 -7.818 -13.214 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.458 -6.640 -14.418 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.543 -5.867 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 51 10.006 -6.914 -13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.369 -4.597 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.179 -5.253 -15.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.731 -4.238 -13.988 1.00 0.00 H new ATOM 823 N GLU A 52 2.447 -5.792 -12.089 1.00 0.00 N ATOM 824 CA GLU A 52 1.049 -5.981 -12.456 1.00 0.00 C ATOM 825 C GLU A 52 0.172 -4.898 -11.834 1.00 0.00 C ATOM 826 O GLU A 52 -0.920 -4.610 -12.323 1.00 0.00 O ATOM 827 CB GLU A 52 0.564 -7.362 -12.013 1.00 0.00 C ATOM 828 CG GLU A 52 1.539 -8.482 -12.334 1.00 0.00 C ATOM 829 CD GLU A 52 1.569 -8.824 -13.811 1.00 0.00 C ATOM 830 OE1 GLU A 52 1.839 -7.918 -14.626 1.00 0.00 O ATOM 831 OE2 GLU A 52 1.321 -10.000 -14.152 1.00 0.00 O ATOM 0 H GLU A 52 2.729 -6.276 -11.236 1.00 0.00 H new ATOM 0 HA GLU A 52 0.972 -5.908 -13.541 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.383 -7.346 -10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.391 -7.574 -12.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.539 -8.192 -12.012 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.266 -9.371 -11.765 1.00 0.00 H new ATOM 838 N PHE A 53 0.659 -4.301 -10.750 1.00 0.00 N ATOM 839 CA PHE A 53 -0.080 -3.251 -10.059 1.00 0.00 C ATOM 840 C PHE A 53 -0.410 -2.103 -11.008 1.00 0.00 C ATOM 841 O PHE A 53 0.481 -1.509 -11.616 1.00 0.00 O ATOM 842 CB PHE A 53 0.727 -2.729 -8.869 1.00 0.00 C ATOM 843 CG PHE A 53 0.366 -1.327 -8.468 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.667 -1.092 -7.575 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.059 -0.244 -8.985 1.00 0.00 C ATOM 846 CE1 PHE A 53 -1.002 0.196 -7.204 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.729 1.046 -8.617 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.304 1.267 -7.727 1.00 0.00 C ATOM 0 H PHE A 53 1.562 -4.527 -10.332 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.015 -3.678 -9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.574 -3.392 -8.018 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.788 -2.766 -9.116 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.217 -1.926 -7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.866 -0.410 -9.683 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.809 0.365 -6.506 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.279 1.881 -9.025 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.565 2.275 -7.441 1.00 0.00 H new ATOM 858 N LYS A 54 -1.696 -1.795 -11.131 1.00 0.00 N ATOM 859 CA LYS A 54 -2.146 -0.718 -12.005 1.00 0.00 C ATOM 860 C LYS A 54 -2.397 0.559 -11.209 1.00 0.00 C ATOM 861 O LYS A 54 -2.011 1.650 -11.630 1.00 0.00 O ATOM 862 CB LYS A 54 -3.422 -1.131 -12.742 1.00 0.00 C ATOM 863 CG LYS A 54 -3.811 -0.182 -13.863 1.00 0.00 C ATOM 864 CD LYS A 54 -5.154 -0.554 -14.467 1.00 0.00 C ATOM 865 CE LYS A 54 -5.787 0.626 -15.189 1.00 0.00 C ATOM 866 NZ LYS A 54 -5.063 0.959 -16.447 1.00 0.00 N ATOM 0 H LYS A 54 -2.446 -2.277 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.360 -0.523 -12.734 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.286 -2.131 -13.154 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.242 -1.190 -12.026 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.853 0.838 -13.480 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.045 -0.200 -14.638 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.024 -1.381 -15.165 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.824 -0.903 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.827 0.396 -15.419 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.791 1.495 -14.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.525 1.768 -16.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.077 1.203 -16.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.081 0.138 -17.086 1.00 0.00 H new ATOM 880 N TYR A 55 -3.044 0.416 -10.058 1.00 0.00 N ATOM 881 CA TYR A 55 -3.347 1.558 -9.204 1.00 0.00 C ATOM 882 C TYR A 55 -3.713 1.103 -7.795 1.00 0.00 C ATOM 883 O TYR A 55 -3.965 -0.078 -7.558 1.00 0.00 O ATOM 884 CB TYR A 55 -4.491 2.379 -9.801 1.00 0.00 C ATOM 885 CG TYR A 55 -5.796 1.620 -9.894 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.077 0.814 -10.990 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.746 1.709 -8.885 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.268 0.120 -11.079 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.940 1.017 -8.964 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.196 0.224 -10.064 1.00 0.00 C ATOM 891 OH TYR A 55 -9.383 -0.467 -10.148 1.00 0.00 O ATOM 0 H TYR A 55 -3.369 -0.480 -9.695 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.455 2.181 -9.144 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.642 3.272 -9.194 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.204 2.716 -10.797 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.352 0.729 -11.786 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.548 2.330 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.471 -0.501 -11.939 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.668 1.096 -8.170 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.924 -0.286 -9.351 1.00 0.00 H new ATOM 901 N ALA A 56 -3.742 2.050 -6.863 1.00 0.00 N ATOM 902 CA ALA A 56 -4.080 1.749 -5.478 1.00 0.00 C ATOM 903 C ALA A 56 -5.130 2.719 -4.946 1.00 0.00 C ATOM 904 O ALA A 56 -5.072 3.920 -5.213 1.00 0.00 O ATOM 905 CB ALA A 56 -2.832 1.790 -4.609 1.00 0.00 C ATOM 0 H ALA A 56 -3.535 3.033 -7.043 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.501 0.744 -5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.100 1.563 -3.577 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.114 1.053 -4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.387 2.784 -4.658 1.00 0.00 H new ATOM 911 N LEU A 57 -6.089 2.191 -4.193 1.00 0.00 N ATOM 912 CA LEU A 57 -7.153 3.011 -3.623 1.00 0.00 C ATOM 913 C LEU A 57 -6.946 3.207 -2.124 1.00 0.00 C ATOM 914 O LEU A 57 -7.048 2.260 -1.344 1.00 0.00 O ATOM 915 CB LEU A 57 -8.515 2.364 -3.881 1.00 0.00 C ATOM 916 CG LEU A 57 -8.783 1.915 -5.318 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.078 1.121 -5.396 1.00 0.00 C ATOM 918 CD2 LEU A 57 -8.833 3.115 -6.252 1.00 0.00 C ATOM 0 H LEU A 57 -6.152 1.199 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.124 3.988 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.613 1.498 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.292 3.072 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.965 1.268 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.253 0.810 -6.426 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.004 0.240 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.907 1.743 -5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.025 2.776 -7.270 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.631 3.788 -5.937 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -7.879 3.642 -6.219 1.00 0.00 H new ATOM 930 N VAL A 58 -6.657 4.442 -1.729 1.00 0.00 N ATOM 931 CA VAL A 58 -6.439 4.764 -0.323 1.00 0.00 C ATOM 932 C VAL A 58 -7.722 5.263 0.331 1.00 0.00 C ATOM 933 O VAL A 58 -8.512 5.973 -0.291 1.00 0.00 O ATOM 934 CB VAL A 58 -5.341 5.831 -0.155 1.00 0.00 C ATOM 935 CG1 VAL A 58 -4.962 5.980 1.310 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.123 5.478 -0.996 1.00 0.00 C ATOM 0 H VAL A 58 -6.568 5.237 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.119 3.844 0.167 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.731 6.787 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.185 6.738 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.838 6.281 1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.590 5.028 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.357 6.242 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.730 4.512 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.409 5.426 -2.047 1.00 0.00 H new ATOM 946 N TRP A 59 -7.922 4.889 1.589 1.00 0.00 N ATOM 947 CA TRP A 59 -9.110 5.300 2.329 1.00 0.00 C ATOM 948 C TRP A 59 -8.729 5.941 3.659 1.00 0.00 C ATOM 949 O TRP A 59 -9.476 5.864 4.633 1.00 0.00 O ATOM 950 CB TRP A 59 -10.026 4.099 2.572 1.00 0.00 C ATOM 951 CG TRP A 59 -10.734 3.632 1.336 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.822 4.211 0.748 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.406 2.489 0.540 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.190 3.497 -0.367 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.336 2.436 -0.517 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.415 1.506 0.615 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.304 1.438 -1.487 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.385 0.517 -0.349 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.323 0.489 -1.389 1.00 0.00 C ATOM 0 H TRP A 59 -7.277 4.302 2.118 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.642 6.039 1.730 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.436 3.277 2.976 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.766 4.362 3.328 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.320 5.100 1.107 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -12.972 3.721 -0.983 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.686 1.519 1.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.028 1.414 -2.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.625 -0.248 -0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.271 -0.297 -2.128 1.00 0.00 H new ATOM 970 N GLY A 60 -7.560 6.574 3.692 1.00 0.00 N ATOM 971 CA GLY A 60 -7.101 7.220 4.908 1.00 0.00 C ATOM 972 C GLY A 60 -7.012 8.726 4.766 1.00 0.00 C ATOM 973 O GLY A 60 -7.403 9.285 3.741 1.00 0.00 O ATOM 0 H GLY A 60 -6.923 6.651 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.780 6.975 5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.122 6.825 5.178 1.00 0.00 H new ATOM 977 N LEU A 61 -6.497 9.386 5.798 1.00 0.00 N ATOM 978 CA LEU A 61 -6.360 10.839 5.786 1.00 0.00 C ATOM 979 C LEU A 61 -5.455 11.290 4.644 1.00 0.00 C ATOM 980 O LEU A 61 -5.652 12.360 4.068 1.00 0.00 O ATOM 981 CB LEU A 61 -5.798 11.329 7.121 1.00 0.00 C ATOM 982 CG LEU A 61 -6.800 11.441 8.270 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.046 10.079 8.899 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.306 12.431 9.315 1.00 0.00 C ATOM 0 H LEU A 61 -6.168 8.939 6.653 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.349 11.272 5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.999 10.653 7.426 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.344 12.308 6.964 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.744 11.809 7.868 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.762 10.179 9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.445 9.398 8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.108 9.682 9.286 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.032 12.498 10.125 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.349 12.093 9.712 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.183 13.412 8.857 1.00 0.00 H new ATOM 996 N SER A 62 -4.463 10.466 4.320 1.00 0.00 N ATOM 997 CA SER A 62 -3.527 10.781 3.248 1.00 0.00 C ATOM 998 C SER A 62 -4.257 11.364 2.042 1.00 0.00 C ATOM 999 O SER A 62 -3.781 12.306 1.409 1.00 0.00 O ATOM 1000 CB SER A 62 -2.754 9.527 2.833 1.00 0.00 C ATOM 1001 OG SER A 62 -3.587 8.625 2.126 1.00 0.00 O ATOM 0 H SER A 62 -4.287 9.575 4.785 1.00 0.00 H new ATOM 0 HA SER A 62 -2.824 11.527 3.620 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.906 9.809 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.349 9.036 3.718 1.00 0.00 H new ATOM 0 HG SER A 62 -4.345 8.367 2.692 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.418 10.796 1.730 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.216 11.259 0.601 1.00 0.00 C ATOM 1009 C VAL A 63 -7.373 12.135 1.069 1.00 0.00 C ATOM 1010 O VAL A 63 -7.979 11.880 2.110 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.778 10.077 -0.211 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.648 9.268 -0.830 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.656 9.197 0.666 1.00 0.00 C ATOM 0 H VAL A 63 -5.826 10.015 2.243 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.554 11.846 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.393 10.474 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.065 8.437 -1.400 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.065 9.906 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.004 8.880 -0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -8.044 8.367 0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.067 8.807 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.487 9.785 1.056 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.676 13.170 0.292 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.761 14.085 0.624 1.00 0.00 C ATOM 1025 C LYS A 64 -10.116 13.458 0.310 1.00 0.00 C ATOM 1026 O LYS A 64 -11.020 13.458 1.146 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.603 15.397 -0.146 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.765 16.434 0.583 1.00 0.00 C ATOM 1029 CD LYS A 64 -6.310 16.007 0.678 1.00 0.00 C ATOM 1030 CE LYS A 64 -5.562 16.809 1.732 1.00 0.00 C ATOM 1031 NZ LYS A 64 -5.043 18.094 1.186 1.00 0.00 N ATOM 0 H LYS A 64 -7.184 13.396 -0.573 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.715 14.291 1.693 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.146 15.188 -1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.591 15.814 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.832 17.389 0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.166 16.589 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.256 14.946 0.921 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.827 16.137 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.226 17.013 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.732 16.217 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -4.540 18.611 1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.390 17.899 0.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.837 18.670 0.841 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.250 12.924 -0.900 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.494 12.292 -1.323 1.00 0.00 C ATOM 1047 C HIS A 65 -11.239 10.876 -1.830 1.00 0.00 C ATOM 1048 O HIS A 65 -10.637 10.683 -2.885 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.167 13.124 -2.415 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.172 14.594 -2.130 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -11.519 15.516 -2.922 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.757 15.302 -1.136 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -11.701 16.726 -2.425 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.449 16.624 -1.341 1.00 0.00 N ATOM 0 H HIS A 65 -9.512 12.917 -1.604 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.156 12.236 -0.459 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.656 12.947 -3.362 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -13.195 12.783 -2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.355 14.901 -0.331 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.305 17.643 -2.835 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.749 17.401 -0.752 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.701 9.888 -1.070 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.522 8.489 -1.442 1.00 0.00 C ATOM 1065 C ASN A 66 -12.857 7.849 -1.809 1.00 0.00 C ATOM 1066 O ASN A 66 -13.927 8.326 -1.432 1.00 0.00 O ATOM 1067 CB ASN A 66 -10.869 7.715 -0.295 1.00 0.00 C ATOM 1068 CG ASN A 66 -11.237 8.276 1.064 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -12.383 8.659 1.301 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -10.263 8.328 1.966 1.00 0.00 N ATOM 0 H ASN A 66 -12.202 10.030 -0.193 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.870 8.451 -2.314 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.172 6.669 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.786 7.740 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.451 8.696 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.328 7.999 1.726 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.794 6.740 -2.562 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.526 6.163 -3.016 1.00 0.00 C ATOM 1079 C PRO A 67 -10.836 7.030 -4.063 1.00 0.00 C ATOM 1080 O PRO A 67 -11.480 7.541 -4.980 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.945 4.822 -3.624 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.364 5.017 -4.032 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.957 5.965 -3.027 1.00 0.00 C ATOM 0 HA PRO A 67 -10.805 6.072 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.320 4.562 -4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.849 4.012 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.427 5.427 -5.040 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.902 4.069 -4.039 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.714 6.607 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.439 5.432 -2.207 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.525 7.193 -3.920 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.749 8.000 -4.855 1.00 0.00 C ATOM 1093 C GLN A 68 -7.735 7.141 -5.604 1.00 0.00 C ATOM 1094 O GLN A 68 -7.032 6.327 -5.005 1.00 0.00 O ATOM 1095 CB GLN A 68 -8.031 9.128 -4.113 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.180 10.006 -5.017 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.637 11.226 -4.301 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.286 11.782 -3.415 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.438 11.652 -4.683 1.00 0.00 N ATOM 0 H GLN A 68 -8.978 6.777 -3.166 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.437 8.433 -5.581 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.772 9.749 -3.609 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.397 8.696 -3.338 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.349 9.420 -5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.776 10.326 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.934 11.161 -5.422 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.021 12.470 -4.237 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.665 7.328 -6.917 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.736 6.572 -7.749 1.00 0.00 C ATOM 1110 C LYS A 69 -5.318 7.118 -7.617 1.00 0.00 C ATOM 1111 O LYS A 69 -5.030 8.235 -8.048 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.177 6.619 -9.214 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.503 5.573 -10.086 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.187 5.449 -11.437 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.300 4.412 -11.405 1.00 0.00 C ATOM 1116 NZ LYS A 69 -8.909 4.211 -12.749 1.00 0.00 N ATOM 0 H LYS A 69 -8.241 7.997 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.741 5.537 -7.407 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.257 6.481 -9.264 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.963 7.609 -9.617 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.456 5.838 -10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.520 4.609 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.597 6.416 -11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.453 5.173 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.903 3.464 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.070 4.727 -10.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -9.663 3.497 -12.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.310 5.109 -13.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.180 3.886 -13.415 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.436 6.323 -7.020 1.00 0.00 N ATOM 1131 CA VAL A 70 -3.047 6.726 -6.833 1.00 0.00 C ATOM 1132 C VAL A 70 -2.104 5.833 -7.631 1.00 0.00 C ATOM 1133 O VAL A 70 -2.503 4.784 -8.134 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.644 6.682 -5.347 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.503 7.638 -4.533 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.753 5.264 -4.808 1.00 0.00 C ATOM 0 H VAL A 70 -4.659 5.396 -6.657 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.964 7.751 -7.193 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.605 7.001 -5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.204 7.594 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.370 8.654 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.551 7.353 -4.624 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.465 5.251 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.781 4.915 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.092 4.608 -5.374 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.848 6.257 -7.742 1.00 0.00 N ATOM 1147 CA GLY A 71 0.134 5.483 -8.479 1.00 0.00 C ATOM 1148 C GLY A 71 0.974 4.602 -7.576 1.00 0.00 C ATOM 1149 O GLY A 71 0.472 4.037 -6.604 1.00 0.00 O ATOM 0 H GLY A 71 -0.494 7.122 -7.335 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.376 4.862 -9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.787 6.160 -9.030 1.00 0.00 H new ATOM 1153 N LYS A 72 2.257 4.481 -7.899 1.00 0.00 N ATOM 1154 CA LYS A 72 3.171 3.661 -7.111 1.00 0.00 C ATOM 1155 C LYS A 72 4.106 4.534 -6.280 1.00 0.00 C ATOM 1156 O LYS A 72 4.805 4.043 -5.394 1.00 0.00 O ATOM 1157 CB LYS A 72 3.988 2.747 -8.027 1.00 0.00 C ATOM 1158 CG LYS A 72 4.856 3.501 -9.019 1.00 0.00 C ATOM 1159 CD LYS A 72 6.075 2.688 -9.423 1.00 0.00 C ATOM 1160 CE LYS A 72 6.657 3.173 -10.742 1.00 0.00 C ATOM 1161 NZ LYS A 72 5.773 2.839 -11.893 1.00 0.00 N ATOM 0 H LYS A 72 2.688 4.940 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 72 2.577 3.048 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.623 2.106 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.309 2.094 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.270 3.745 -9.905 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.177 4.445 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.833 2.755 -8.643 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.800 1.637 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.805 4.252 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.638 2.722 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.317 2.900 -12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.405 1.873 -11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.979 3.510 -11.927 1.00 0.00 H new ATOM 1175 N ASP A 73 4.112 5.830 -6.571 1.00 0.00 N ATOM 1176 CA ASP A 73 4.960 6.772 -5.849 1.00 0.00 C ATOM 1177 C ASP A 73 4.207 7.390 -4.675 1.00 0.00 C ATOM 1178 O ASP A 73 4.807 8.016 -3.800 1.00 0.00 O ATOM 1179 CB ASP A 73 5.454 7.871 -6.791 1.00 0.00 C ATOM 1180 CG ASP A 73 6.736 7.490 -7.504 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.719 6.502 -8.268 1.00 0.00 O ATOM 1182 OD2 ASP A 73 7.758 8.178 -7.297 1.00 0.00 O ATOM 0 H ASP A 73 3.539 6.253 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 73 5.819 6.226 -5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.682 8.087 -7.529 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.616 8.787 -6.223 1.00 0.00 H new ATOM 1187 N HIS A 74 2.890 7.212 -4.663 1.00 0.00 N ATOM 1188 CA HIS A 74 2.055 7.753 -3.597 1.00 0.00 C ATOM 1189 C HIS A 74 2.509 7.235 -2.235 1.00 0.00 C ATOM 1190 O HIS A 74 2.578 6.026 -2.010 1.00 0.00 O ATOM 1191 CB HIS A 74 0.589 7.387 -3.832 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.310 7.755 -2.693 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.996 8.950 -2.632 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.636 7.078 -1.567 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.704 8.992 -1.517 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.504 7.868 -0.853 1.00 0.00 N ATOM 0 H HIS A 74 2.378 6.697 -5.380 1.00 0.00 H new ATOM 0 HA HIS A 74 2.156 8.838 -3.606 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.239 7.885 -4.736 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.515 6.314 -4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.280 6.099 -1.283 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.339 9.807 -1.202 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.925 7.626 0.044 1.00 0.00 H new ATOM 1205 N THR A 75 2.819 8.158 -1.330 1.00 0.00 N ATOM 1206 CA THR A 75 3.269 7.794 0.008 1.00 0.00 C ATOM 1207 C THR A 75 2.133 7.185 0.823 1.00 0.00 C ATOM 1208 O THR A 75 0.989 7.632 0.743 1.00 0.00 O ATOM 1209 CB THR A 75 3.829 9.015 0.763 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.967 9.539 0.070 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.223 8.638 2.183 1.00 0.00 C ATOM 0 H THR A 75 2.767 9.163 -1.499 1.00 0.00 H new ATOM 0 HA THR A 75 4.062 7.056 -0.114 1.00 0.00 H new ATOM 0 HB THR A 75 3.050 9.776 0.809 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.316 10.316 0.555 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.616 9.515 2.697 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.348 8.266 2.717 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.988 7.862 2.154 1.00 0.00 H new ATOM 1219 N LEU A 76 2.457 6.162 1.606 1.00 0.00 N ATOM 1220 CA LEU A 76 1.464 5.490 2.437 1.00 0.00 C ATOM 1221 C LEU A 76 1.440 6.082 3.843 1.00 0.00 C ATOM 1222 O LEU A 76 2.485 6.392 4.413 1.00 0.00 O ATOM 1223 CB LEU A 76 1.758 3.991 2.507 1.00 0.00 C ATOM 1224 CG LEU A 76 1.261 3.153 1.328 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.987 1.818 1.279 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.243 2.942 1.421 1.00 0.00 C ATOM 0 H LEU A 76 3.399 5.780 1.683 1.00 0.00 H new ATOM 0 HA LEU A 76 0.485 5.640 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.836 3.856 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.313 3.596 3.420 1.00 0.00 H new ATOM 0 HG LEU A 76 1.475 3.693 0.406 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.620 1.235 0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.057 1.990 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.805 1.270 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.580 2.344 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.481 2.423 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.748 3.908 1.406 1.00 0.00 H new ATOM 1238 N GLU A 77 0.240 6.233 4.396 1.00 0.00 N ATOM 1239 CA GLU A 77 0.082 6.785 5.736 1.00 0.00 C ATOM 1240 C GLU A 77 -0.211 5.682 6.748 1.00 0.00 C ATOM 1241 O GLU A 77 -0.514 4.548 6.377 1.00 0.00 O ATOM 1242 CB GLU A 77 -1.044 7.821 5.754 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.577 9.234 5.448 1.00 0.00 C ATOM 1244 CD GLU A 77 -1.528 10.290 5.977 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -2.249 10.003 6.955 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -1.551 11.404 5.413 1.00 0.00 O ATOM 0 H GLU A 77 -0.635 5.981 3.937 1.00 0.00 H new ATOM 0 HA GLU A 77 1.018 7.270 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.803 7.533 5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.521 7.809 6.734 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.410 9.389 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.472 9.352 4.370 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.116 6.023 8.029 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.370 5.062 9.096 1.00 0.00 C ATOM 1255 C ASP A 78 -1.867 4.816 9.261 1.00 0.00 C ATOM 1256 O ASP A 78 -2.667 5.750 9.214 1.00 0.00 O ATOM 1257 CB ASP A 78 0.225 5.562 10.414 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.104 4.651 11.580 1.00 0.00 C ATOM 1259 OD1 ASP A 78 0.645 3.676 11.802 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -1.110 4.913 12.272 1.00 0.00 O ATOM 0 H ASP A 78 0.135 6.957 8.353 1.00 0.00 H new ATOM 0 HA ASP A 78 0.107 4.120 8.824 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.307 5.642 10.313 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.151 6.564 10.622 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.236 3.554 9.452 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.637 3.186 9.621 1.00 0.00 C ATOM 1267 C GLU A 79 -4.448 3.544 8.379 1.00 0.00 C ATOM 1268 O GLU A 79 -5.494 4.187 8.471 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.227 3.885 10.848 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.922 3.178 12.157 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.992 3.407 13.207 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.418 4.569 13.375 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -5.402 2.426 13.861 1.00 0.00 O ATOM 0 H GLU A 79 -1.585 2.770 9.494 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.687 2.107 9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.841 4.903 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.308 3.959 10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.822 2.108 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.963 3.527 12.539 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.957 3.125 7.218 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.634 3.401 5.957 1.00 0.00 C ATOM 1282 C ASP A 80 -4.857 2.115 5.167 1.00 0.00 C ATOM 1283 O ASP A 80 -4.008 1.223 5.160 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.821 4.392 5.123 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.966 5.819 5.615 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -4.126 6.010 6.838 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -3.920 6.744 4.777 1.00 0.00 O ATOM 0 H ASP A 80 -3.092 2.593 7.124 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.606 3.840 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.769 4.107 5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.141 4.335 4.083 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.005 2.026 4.503 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.340 0.849 3.710 1.00 0.00 C ATOM 1294 C VAL A 81 -6.005 1.064 2.238 1.00 0.00 C ATOM 1295 O VAL A 81 -6.237 2.143 1.690 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.833 0.492 3.838 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.169 -0.717 2.979 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.196 0.239 5.294 1.00 0.00 C ATOM 0 H VAL A 81 -6.719 2.755 4.498 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.742 0.025 4.099 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.423 1.336 3.481 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.228 -0.954 3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.947 -0.495 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.573 -1.570 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.254 -0.012 5.367 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.600 -0.588 5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.995 1.136 5.880 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.459 0.032 1.604 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.094 0.109 0.195 1.00 0.00 C ATOM 1310 C ILE A 82 -5.570 -1.125 -0.564 1.00 0.00 C ATOM 1311 O ILE A 82 -5.521 -2.241 -0.047 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.571 0.252 0.015 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.240 0.640 -1.427 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.869 -1.043 0.395 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.869 1.259 -1.587 1.00 0.00 C ATOM 0 H ILE A 82 -5.260 -0.867 2.043 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.584 0.994 -0.210 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.215 1.043 0.675 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.305 -0.247 -2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.991 1.343 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.793 -0.926 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.083 -1.280 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.227 -1.852 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.703 1.509 -2.635 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.806 2.165 -0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.109 0.550 -1.258 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.030 -0.916 -1.794 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.514 -2.013 -2.624 1.00 0.00 C ATOM 1329 C GLN A 83 -5.677 -2.145 -3.893 1.00 0.00 C ATOM 1330 O GLN A 83 -5.928 -1.463 -4.887 1.00 0.00 O ATOM 1331 CB GLN A 83 -7.983 -1.794 -2.989 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.538 -2.846 -3.935 1.00 0.00 C ATOM 1333 CD GLN A 83 -10.004 -2.628 -4.255 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.469 -1.491 -4.349 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.742 -3.719 -4.424 1.00 0.00 N ATOM 0 H GLN A 83 -6.078 0.002 -2.237 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.423 -2.936 -2.052 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.579 -1.788 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.092 -0.811 -3.447 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.963 -2.836 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.410 -3.833 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.316 -4.642 -4.337 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.735 -3.634 -4.641 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.684 -3.026 -3.851 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.811 -3.248 -4.997 1.00 0.00 C ATOM 1346 C ILE A 84 -4.563 -3.927 -6.137 1.00 0.00 C ATOM 1347 O ILE A 84 -4.964 -5.085 -6.027 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.591 -4.107 -4.618 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.680 -3.342 -3.655 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.825 -4.519 -5.866 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -1.006 -2.143 -4.285 1.00 0.00 C ATOM 0 H ILE A 84 -4.464 -3.598 -3.036 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.466 -2.268 -5.325 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.942 -5.009 -4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.267 -3.010 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.916 -4.020 -3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.965 -5.126 -5.582 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.478 -5.098 -6.519 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.482 -3.629 -6.393 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.376 -1.649 -3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.392 -2.470 -5.124 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.764 -1.445 -4.641 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.749 -3.198 -7.233 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.450 -3.730 -8.395 1.00 0.00 C ATOM 1365 C VAL A 85 -4.467 -4.178 -9.472 1.00 0.00 C ATOM 1366 O VAL A 85 -3.436 -3.542 -9.690 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.413 -2.689 -8.996 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -6.879 -3.126 -10.376 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -7.599 -2.465 -8.070 1.00 0.00 C ATOM 0 H VAL A 85 -4.424 -2.237 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.025 -4.590 -8.051 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.880 -1.744 -9.102 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -7.559 -2.378 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.017 -3.231 -11.035 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.396 -4.083 -10.299 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -8.270 -1.727 -8.510 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.134 -3.404 -7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.244 -2.103 -7.105 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.795 -5.277 -10.144 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.943 -5.810 -11.200 1.00 0.00 C ATOM 1381 C LYS A 86 -4.505 -5.468 -12.576 1.00 0.00 C ATOM 1382 O LYS A 86 -5.653 -5.786 -12.886 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.806 -7.328 -11.056 1.00 0.00 C ATOM 1384 CG LYS A 86 -3.205 -7.761 -9.730 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.840 -9.236 -9.738 1.00 0.00 C ATOM 1386 CE LYS A 86 -1.905 -9.585 -8.591 1.00 0.00 C ATOM 1387 NZ LYS A 86 -1.462 -11.006 -8.649 1.00 0.00 N ATOM 0 H LYS A 86 -5.645 -5.815 -9.976 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.959 -5.352 -11.105 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.789 -7.785 -11.166 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.185 -7.707 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.316 -7.166 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.915 -7.565 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.747 -9.837 -9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.365 -9.489 -10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.033 -8.931 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.409 -9.400 -7.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.826 -11.204 -7.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.292 -11.631 -8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.958 -11.176 -9.543 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.687 -4.821 -13.400 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.101 -4.438 -14.744 1.00 0.00 C ATOM 1403 C LYS A 87 -4.412 -5.669 -15.589 1.00 0.00 C ATOM 1404 O LYS A 87 -3.546 -6.182 -16.298 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.007 -3.606 -15.419 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.603 -3.966 -14.966 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.579 -3.699 -16.057 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.067 -2.268 -16.002 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.592 -1.865 -17.275 1.00 0.00 N ATOM 0 H LYS A 87 -2.733 -4.551 -13.160 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.007 -3.838 -14.661 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.076 -3.738 -16.499 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.186 -2.551 -15.214 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.348 -3.389 -14.077 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.569 -5.018 -14.684 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.257 -4.390 -15.950 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.027 -3.889 -17.032 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.897 -1.593 -15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.641 -2.167 -15.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 0.927 -0.884 -17.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.400 -2.493 -17.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.090 -1.937 -18.057 1.00 0.00 H new ATOM 1423 N SER A 88 -5.653 -6.138 -15.510 1.00 0.00 N ATOM 1424 CA SER A 88 -6.078 -7.310 -16.265 1.00 0.00 C ATOM 1425 C SER A 88 -7.359 -7.022 -17.042 1.00 0.00 C ATOM 1426 O SER A 88 -8.238 -6.304 -16.567 1.00 0.00 O ATOM 1427 CB SER A 88 -6.294 -8.498 -15.326 1.00 0.00 C ATOM 1428 OG SER A 88 -5.138 -8.747 -14.544 1.00 0.00 O ATOM 0 H SER A 88 -6.382 -5.723 -14.930 1.00 0.00 H new ATOM 0 HA SER A 88 -5.290 -7.557 -16.977 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.143 -8.299 -14.672 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.541 -9.386 -15.908 1.00 0.00 H new ATOM 0 HG SER A 88 -5.302 -9.510 -13.951 1.00 0.00 H new ATOM 1434 N GLY A 89 -7.456 -7.588 -18.241 1.00 0.00 N ATOM 1435 CA GLY A 89 -8.632 -7.380 -19.066 1.00 0.00 C ATOM 1436 C GLY A 89 -8.344 -6.522 -20.282 1.00 0.00 C ATOM 1437 O GLY A 89 -8.718 -5.351 -20.344 1.00 0.00 O ATOM 0 H GLY A 89 -6.742 -8.187 -18.656 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.020 -8.346 -19.390 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.412 -6.908 -18.469 1.00 0.00 H new ATOM 1441 N PRO A 90 -7.661 -7.108 -21.276 1.00 0.00 N ATOM 1442 CA PRO A 90 -7.307 -6.407 -22.514 1.00 0.00 C ATOM 1443 C PRO A 90 -8.523 -6.120 -23.387 1.00 0.00 C ATOM 1444 O PRO A 90 -9.486 -6.887 -23.398 1.00 0.00 O ATOM 1445 CB PRO A 90 -6.362 -7.385 -23.217 1.00 0.00 C ATOM 1446 CG PRO A 90 -6.743 -8.725 -22.689 1.00 0.00 C ATOM 1447 CD PRO A 90 -7.183 -8.501 -21.269 1.00 0.00 C ATOM 0 HA PRO A 90 -6.864 -5.431 -22.317 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.478 -7.338 -24.300 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.319 -7.155 -22.998 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.546 -9.164 -23.282 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.901 -9.415 -22.732 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.972 -9.195 -20.978 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.361 -8.640 -20.567 1.00 0.00 H new ATOM 1455 N SER A 91 -8.474 -5.011 -24.117 1.00 0.00 N ATOM 1456 CA SER A 91 -9.574 -4.621 -24.991 1.00 0.00 C ATOM 1457 C SER A 91 -10.896 -4.616 -24.230 1.00 0.00 C ATOM 1458 O SER A 91 -11.922 -5.064 -24.743 1.00 0.00 O ATOM 1459 CB SER A 91 -9.664 -5.571 -26.187 1.00 0.00 C ATOM 1460 OG SER A 91 -8.537 -5.431 -27.035 1.00 0.00 O ATOM 0 H SER A 91 -7.684 -4.366 -24.121 1.00 0.00 H new ATOM 0 HA SER A 91 -9.379 -3.611 -25.352 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.732 -6.600 -25.834 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.575 -5.367 -26.750 1.00 0.00 H new ATOM 0 HG SER A 91 -8.617 -6.050 -27.791 1.00 0.00 H new ATOM 1466 N SER A 92 -10.864 -4.107 -23.003 1.00 0.00 N ATOM 1467 CA SER A 92 -12.059 -4.046 -22.169 1.00 0.00 C ATOM 1468 C SER A 92 -12.900 -2.821 -22.513 1.00 0.00 C ATOM 1469 O SER A 92 -12.435 -1.686 -22.413 1.00 0.00 O ATOM 1470 CB SER A 92 -11.672 -4.014 -20.689 1.00 0.00 C ATOM 1471 OG SER A 92 -10.942 -2.840 -20.378 1.00 0.00 O ATOM 0 H SER A 92 -10.024 -3.731 -22.564 1.00 0.00 H new ATOM 0 HA SER A 92 -12.653 -4.939 -22.363 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.571 -4.061 -20.074 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.074 -4.893 -20.447 1.00 0.00 H new ATOM 0 HG SER A 92 -11.192 -2.125 -21.000 1.00 0.00 H new ATOM 1477 N GLY A 93 -14.144 -3.060 -22.918 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.031 -1.967 -23.271 1.00 0.00 C ATOM 1479 C GLY A 93 -16.106 -1.734 -22.228 1.00 0.00 C ATOM 1480 O GLY A 93 -15.814 -1.640 -21.036 1.00 0.00 O ATOM 0 H GLY A 93 -14.553 -3.990 -23.008 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.447 -1.055 -23.397 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.501 -2.180 -24.231 1.00 0.00 H new TER 1484 GLY A 93