USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 4 LYS NZ :NH3+ 152:sc= -2.73! (180deg=-4.44!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -81:sc= -6.2! USER MOD Single : A 10 MET CE :methyl -127:sc= -21.2! (180deg=-25.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 63:sc= 0.505 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 99:sc= -1.48! USER MOD Single : A 22 LYS NZ :NH3+ -159:sc= -1.25 (180deg=-1.99) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -149:sc= -0.141 (180deg=-0.858) USER MOD Single : A 32 TYR OH : rot -20:sc= 0.447 USER MOD Single : A 33 HIS : no HD1:sc= -5.04! C(o=-5!,f=-8.6!) USER MOD Single : A 37 SER OG : rot -110:sc= -5.51! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -55:sc= 1.26 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot -93:sc= -7.63! USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -131:sc= -14.6! (180deg=-19.6!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 71 HIS :FLIP no HD1:sc= -2.22 F(o=-2.8!,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 2 3.363 -1.703 -6.554 1.00 41.44 N ATOM 2 CA GLU A 2 2.719 -0.417 -6.954 1.00 31.21 C ATOM 3 C GLU A 2 3.495 0.222 -8.107 1.00 13.44 C ATOM 4 O GLU A 2 4.644 0.590 -7.966 1.00 64.44 O ATOM 5 CB GLU A 2 2.790 0.467 -5.709 1.00 34.44 C ATOM 6 CG GLU A 2 4.206 0.422 -5.132 1.00 22.23 C ATOM 7 CD GLU A 2 4.611 1.818 -4.657 1.00 41.31 C ATOM 8 OE1 GLU A 2 3.724 2.604 -4.368 1.00 35.43 O ATOM 9 OE2 GLU A 2 5.801 2.078 -4.588 1.00 2.31 O ATOM 0 HA GLU A 2 1.694 -0.557 -7.296 1.00 31.21 H new ATOM 0 HB2 GLU A 2 2.521 1.493 -5.962 1.00 34.44 H new ATOM 0 HB3 GLU A 2 2.071 0.124 -4.965 1.00 34.44 H new ATOM 0 HG2 GLU A 2 4.249 -0.282 -4.301 1.00 22.23 H new ATOM 0 HG3 GLU A 2 4.906 0.067 -5.888 1.00 22.23 H new ATOM 16 N LEU A 3 2.879 0.354 -9.249 1.00 5.34 N ATOM 17 CA LEU A 3 3.587 0.966 -10.411 1.00 15.13 C ATOM 18 C LEU A 3 3.239 2.429 -10.559 1.00 73.15 C ATOM 19 O LEU A 3 2.118 2.785 -10.862 1.00 1.12 O ATOM 20 CB LEU A 3 3.065 0.244 -11.649 1.00 53.21 C ATOM 21 CG LEU A 3 3.918 0.575 -12.871 1.00 20.25 C ATOM 22 CD1 LEU A 3 3.752 2.045 -13.196 1.00 32.35 C ATOM 23 CD2 LEU A 3 5.387 0.314 -12.597 1.00 63.00 C ATOM 0 H LEU A 3 1.917 0.065 -9.429 1.00 5.34 H new ATOM 0 HA LEU A 3 4.665 0.879 -10.276 1.00 15.13 H new ATOM 0 HB2 LEU A 3 3.071 -0.832 -11.477 1.00 53.21 H new ATOM 0 HB3 LEU A 3 2.030 0.532 -11.834 1.00 53.21 H new ATOM 0 HG LEU A 3 3.594 -0.054 -13.700 1.00 20.25 H new ATOM 0 HD11 LEU A 3 4.356 2.295 -14.068 1.00 32.35 H new ATOM 0 HD12 LEU A 3 2.704 2.254 -13.409 1.00 32.35 H new ATOM 0 HD13 LEU A 3 4.076 2.645 -12.345 1.00 32.35 H new ATOM 0 HD21 LEU A 3 5.972 0.558 -13.484 1.00 63.00 H new ATOM 0 HD22 LEU A 3 5.717 0.933 -11.763 1.00 63.00 H new ATOM 0 HD23 LEU A 3 5.529 -0.737 -12.347 1.00 63.00 H new ATOM 35 N LYS A 4 4.210 3.272 -10.469 1.00 13.43 N ATOM 36 CA LYS A 4 3.939 4.687 -10.740 1.00 33.34 C ATOM 37 C LYS A 4 3.809 4.768 -12.225 1.00 0.22 C ATOM 38 O LYS A 4 4.783 4.770 -12.919 1.00 71.13 O ATOM 39 CB LYS A 4 5.159 5.447 -10.272 1.00 54.43 C ATOM 40 CG LYS A 4 4.716 6.589 -9.378 1.00 33.12 C ATOM 41 CD LYS A 4 5.554 7.832 -9.683 1.00 63.34 C ATOM 42 CE LYS A 4 6.617 8.013 -8.595 1.00 71.30 C ATOM 43 NZ LYS A 4 6.435 9.406 -8.097 1.00 31.11 N ATOM 0 H LYS A 4 5.173 3.043 -10.221 1.00 13.43 H new ATOM 0 HA LYS A 4 3.052 5.087 -10.249 1.00 33.34 H new ATOM 0 HB2 LYS A 4 5.831 4.783 -9.729 1.00 54.43 H new ATOM 0 HB3 LYS A 4 5.714 5.832 -11.128 1.00 54.43 H new ATOM 0 HG2 LYS A 4 3.659 6.802 -9.539 1.00 33.12 H new ATOM 0 HG3 LYS A 4 4.829 6.310 -8.331 1.00 33.12 H new ATOM 0 HD2 LYS A 4 6.030 7.732 -10.658 1.00 63.34 H new ATOM 0 HD3 LYS A 4 4.913 8.713 -9.730 1.00 63.34 H new ATOM 0 HE2 LYS A 4 6.486 7.288 -7.792 1.00 71.30 H new ATOM 0 HE3 LYS A 4 7.620 7.866 -8.996 1.00 71.30 H new ATOM 0 HZ1 LYS A 4 6.746 9.464 -7.106 1.00 31.11 H new ATOM 0 HZ2 LYS A 4 7.001 10.059 -8.676 1.00 31.11 H new ATOM 0 HZ3 LYS A 4 5.431 9.669 -8.160 1.00 31.11 H new ATOM 57 N ASP A 5 2.617 4.768 -12.713 1.00 31.30 N ATOM 58 CA ASP A 5 2.427 4.742 -14.182 1.00 24.22 C ATOM 59 C ASP A 5 3.056 5.968 -14.828 1.00 13.50 C ATOM 60 O ASP A 5 2.404 6.796 -15.407 1.00 34.23 O ATOM 61 CB ASP A 5 0.914 4.731 -14.367 1.00 42.14 C ATOM 62 CG ASP A 5 0.510 3.554 -15.257 1.00 34.41 C ATOM 63 OD1 ASP A 5 0.647 2.426 -14.812 1.00 74.41 O ATOM 64 OD2 ASP A 5 0.069 3.800 -16.367 1.00 23.11 O ATOM 0 H ASP A 5 1.759 4.785 -12.161 1.00 31.30 H new ATOM 0 HA ASP A 5 2.903 3.881 -14.652 1.00 24.22 H new ATOM 0 HB2 ASP A 5 0.420 4.653 -13.398 1.00 42.14 H new ATOM 0 HB3 ASP A 5 0.586 5.668 -14.817 1.00 42.14 H new ATOM 69 N TYR A 6 4.350 6.059 -14.735 1.00 33.40 N ATOM 70 CA TYR A 6 5.098 7.182 -15.345 1.00 52.34 C ATOM 71 C TYR A 6 4.523 7.546 -16.631 1.00 21.01 C ATOM 72 O TYR A 6 4.131 8.662 -16.890 1.00 71.02 O ATOM 73 CB TYR A 6 6.425 6.598 -15.638 1.00 2.34 C ATOM 74 CG TYR A 6 7.100 6.411 -14.363 1.00 75.34 C ATOM 75 CD1 TYR A 6 7.062 7.362 -13.353 1.00 15.32 C ATOM 76 CD2 TYR A 6 7.751 5.258 -14.205 1.00 15.31 C ATOM 77 CE1 TYR A 6 7.703 7.105 -12.169 1.00 51.35 C ATOM 78 CE2 TYR A 6 8.393 4.965 -13.045 1.00 55.43 C ATOM 79 CZ TYR A 6 8.381 5.888 -11.992 1.00 4.23 C ATOM 80 OH TYR A 6 9.032 5.610 -10.808 1.00 62.11 O ATOM 0 H TYR A 6 4.934 5.380 -14.247 1.00 33.40 H new ATOM 0 HA TYR A 6 5.101 8.057 -14.696 1.00 52.34 H new ATOM 0 HB2 TYR A 6 6.321 5.648 -16.162 1.00 2.34 H new ATOM 0 HB3 TYR A 6 7.002 7.258 -16.286 1.00 2.34 H new ATOM 0 HD1 TYR A 6 6.534 8.293 -13.498 1.00 15.32 H new ATOM 0 HD2 TYR A 6 7.768 4.544 -15.015 1.00 15.31 H new ATOM 0 HE1 TYR A 6 7.687 7.836 -11.374 1.00 51.35 H new ATOM 0 HE2 TYR A 6 8.911 4.024 -12.935 1.00 55.43 H new ATOM 0 HH TYR A 6 9.445 4.723 -10.862 1.00 62.11 H new ATOM 90 N TYR A 7 4.515 6.593 -17.470 1.00 35.45 N ATOM 91 CA TYR A 7 4.016 6.827 -18.785 1.00 4.33 C ATOM 92 C TYR A 7 2.779 7.629 -18.710 1.00 12.15 C ATOM 93 O TYR A 7 2.480 8.472 -19.528 1.00 50.00 O ATOM 94 CB TYR A 7 3.743 5.452 -19.335 1.00 12.24 C ATOM 95 CG TYR A 7 5.043 4.777 -19.568 1.00 42.45 C ATOM 96 CD1 TYR A 7 6.168 5.533 -19.879 1.00 4.55 C ATOM 97 CD2 TYR A 7 5.105 3.402 -19.530 1.00 0.51 C ATOM 98 CE1 TYR A 7 7.369 4.914 -20.147 1.00 54.40 C ATOM 99 CE2 TYR A 7 6.307 2.762 -19.818 1.00 63.34 C ATOM 100 CZ TYR A 7 7.446 3.516 -20.129 1.00 21.11 C ATOM 101 OH TYR A 7 8.630 2.883 -20.425 1.00 4.03 O ATOM 0 H TYR A 7 4.843 5.645 -17.286 1.00 35.45 H new ATOM 0 HA TYR A 7 4.711 7.381 -19.416 1.00 4.33 H new ATOM 0 HB2 TYR A 7 3.137 4.877 -18.635 1.00 12.24 H new ATOM 0 HB3 TYR A 7 3.179 5.520 -20.265 1.00 12.24 H new ATOM 0 HD1 TYR A 7 6.100 6.610 -19.911 1.00 4.55 H new ATOM 0 HD2 TYR A 7 4.228 2.825 -19.279 1.00 0.51 H new ATOM 0 HE1 TYR A 7 8.246 5.503 -20.370 1.00 54.40 H new ATOM 0 HE2 TYR A 7 6.362 1.684 -19.802 1.00 63.34 H new ATOM 0 HH TYR A 7 8.741 2.836 -21.397 1.00 4.03 H new ATOM 111 N ALA A 8 2.092 7.384 -17.700 1.00 62.42 N ATOM 112 CA ALA A 8 0.884 8.124 -17.483 1.00 42.22 C ATOM 113 C ALA A 8 1.284 9.475 -16.933 1.00 21.44 C ATOM 114 O ALA A 8 0.943 10.520 -17.449 1.00 70.21 O ATOM 115 CB ALA A 8 0.205 7.299 -16.417 1.00 74.20 C ATOM 0 H ALA A 8 2.315 6.685 -16.991 1.00 62.42 H new ATOM 0 HA ALA A 8 0.257 8.286 -18.359 1.00 42.22 H new ATOM 0 HB1 ALA A 8 -0.747 7.759 -16.152 1.00 74.20 H new ATOM 0 HB2 ALA A 8 0.029 6.291 -16.794 1.00 74.20 H new ATOM 0 HB3 ALA A 8 0.842 7.250 -15.534 1.00 74.20 H new ATOM 121 N ILE A 9 2.060 9.426 -15.893 1.00 41.12 N ATOM 122 CA ILE A 9 2.575 10.657 -15.272 1.00 72.32 C ATOM 123 C ILE A 9 3.033 11.587 -16.366 1.00 30.04 C ATOM 124 O ILE A 9 2.635 12.730 -16.480 1.00 61.31 O ATOM 125 CB ILE A 9 3.799 10.178 -14.502 1.00 33.54 C ATOM 126 CG1 ILE A 9 3.389 9.774 -13.112 1.00 44.51 C ATOM 127 CG2 ILE A 9 4.842 11.267 -14.429 1.00 75.41 C ATOM 128 CD1 ILE A 9 3.813 8.339 -12.953 1.00 33.13 C ATOM 0 H ILE A 9 2.362 8.562 -15.442 1.00 41.12 H new ATOM 0 HA ILE A 9 1.843 11.173 -14.651 1.00 72.32 H new ATOM 0 HB ILE A 9 4.229 9.322 -15.023 1.00 33.54 H new ATOM 0 HG12 ILE A 9 3.868 10.407 -12.365 1.00 44.51 H new ATOM 0 HG13 ILE A 9 2.313 9.880 -12.977 1.00 44.51 H new ATOM 0 HG21 ILE A 9 5.708 10.905 -13.875 1.00 75.41 H new ATOM 0 HG22 ILE A 9 5.147 11.547 -15.437 1.00 75.41 H new ATOM 0 HG23 ILE A 9 4.425 12.137 -13.922 1.00 75.41 H new ATOM 0 HD11 ILE A 9 3.541 7.987 -11.958 1.00 33.13 H new ATOM 0 HD12 ILE A 9 3.313 7.727 -13.704 1.00 33.13 H new ATOM 0 HD13 ILE A 9 4.893 8.262 -13.082 1.00 33.13 H new ATOM 140 N MET A 10 3.924 11.065 -17.145 1.00 21.52 N ATOM 141 CA MET A 10 4.524 11.823 -18.235 1.00 64.04 C ATOM 142 C MET A 10 3.599 11.895 -19.447 1.00 33.45 C ATOM 143 O MET A 10 3.983 12.294 -20.525 1.00 54.45 O ATOM 144 CB MET A 10 5.817 11.100 -18.462 1.00 52.44 C ATOM 145 CG MET A 10 5.607 9.757 -19.130 1.00 33.12 C ATOM 146 SD MET A 10 7.007 9.428 -20.216 1.00 53.41 S ATOM 147 CE MET A 10 8.344 10.193 -19.255 1.00 65.24 C ATOM 0 H MET A 10 4.266 10.108 -17.059 1.00 21.52 H new ATOM 0 HA MET A 10 4.695 12.877 -18.017 1.00 64.04 H new ATOM 0 HB2 MET A 10 6.472 11.714 -19.080 1.00 52.44 H new ATOM 0 HB3 MET A 10 6.324 10.955 -17.508 1.00 52.44 H new ATOM 0 HG2 MET A 10 5.518 8.971 -18.380 1.00 33.12 H new ATOM 0 HG3 MET A 10 4.678 9.760 -19.701 1.00 33.12 H new ATOM 0 HE1 MET A 10 8.887 10.898 -19.884 1.00 65.24 H new ATOM 0 HE2 MET A 10 7.922 10.721 -18.400 1.00 65.24 H new ATOM 0 HE3 MET A 10 9.027 9.420 -18.903 1.00 65.24 H new ATOM 157 N GLY A 11 2.366 11.533 -19.251 1.00 44.44 N ATOM 158 CA GLY A 11 1.365 11.601 -20.363 1.00 25.45 C ATOM 159 C GLY A 11 1.979 10.943 -21.574 1.00 63.14 C ATOM 160 O GLY A 11 2.501 11.588 -22.463 1.00 75.14 O ATOM 0 H GLY A 11 1.999 11.189 -18.363 1.00 44.44 H new ATOM 0 HA2 GLY A 11 0.443 11.094 -20.079 1.00 25.45 H new ATOM 0 HA3 GLY A 11 1.105 12.637 -20.581 1.00 25.45 H new ATOM 164 N VAL A 12 1.999 9.657 -21.562 1.00 73.13 N ATOM 165 CA VAL A 12 2.658 8.917 -22.631 1.00 1.51 C ATOM 166 C VAL A 12 1.940 7.612 -22.909 1.00 40.43 C ATOM 167 O VAL A 12 0.774 7.420 -22.626 1.00 2.04 O ATOM 168 CB VAL A 12 4.006 8.670 -21.967 1.00 22.14 C ATOM 169 CG1 VAL A 12 4.139 7.313 -21.371 1.00 60.31 C ATOM 170 CG2 VAL A 12 5.140 8.817 -22.866 1.00 2.32 C ATOM 0 H VAL A 12 1.575 9.079 -20.837 1.00 73.13 H new ATOM 0 HA VAL A 12 2.698 9.422 -23.596 1.00 1.51 H new ATOM 0 HB VAL A 12 4.025 9.438 -21.193 1.00 22.14 H new ATOM 0 HG11 VAL A 12 5.124 7.210 -20.917 1.00 60.31 H new ATOM 0 HG12 VAL A 12 3.372 7.173 -20.609 1.00 60.31 H new ATOM 0 HG13 VAL A 12 4.018 6.560 -22.150 1.00 60.31 H new ATOM 0 HG21 VAL A 12 6.064 8.626 -22.320 1.00 2.32 H new ATOM 0 HG22 VAL A 12 5.049 8.105 -23.686 1.00 2.32 H new ATOM 0 HG23 VAL A 12 5.158 9.831 -23.266 1.00 2.32 H new ATOM 180 N LYS A 13 2.685 6.727 -23.440 1.00 54.55 N ATOM 181 CA LYS A 13 2.191 5.377 -23.763 1.00 43.41 C ATOM 182 C LYS A 13 2.757 4.396 -22.730 1.00 52.00 C ATOM 183 O LYS A 13 3.917 4.483 -22.375 1.00 0.33 O ATOM 184 CB LYS A 13 2.806 5.142 -25.121 1.00 30.13 C ATOM 185 CG LYS A 13 1.824 5.538 -26.224 1.00 44.14 C ATOM 186 CD LYS A 13 1.667 7.052 -26.236 1.00 52.02 C ATOM 187 CE LYS A 13 2.436 7.648 -27.417 1.00 74.11 C ATOM 188 NZ LYS A 13 1.386 8.189 -28.326 1.00 42.12 N ATOM 0 H LYS A 13 3.665 6.881 -23.679 1.00 54.55 H new ATOM 0 HA LYS A 13 1.107 5.259 -23.756 1.00 43.41 H new ATOM 0 HB2 LYS A 13 3.724 5.721 -25.217 1.00 30.13 H new ATOM 0 HB3 LYS A 13 3.079 4.092 -25.227 1.00 30.13 H new ATOM 0 HG2 LYS A 13 2.186 5.191 -27.192 1.00 44.14 H new ATOM 0 HG3 LYS A 13 0.858 5.062 -26.055 1.00 44.14 H new ATOM 0 HD2 LYS A 13 0.612 7.316 -26.308 1.00 52.02 H new ATOM 0 HD3 LYS A 13 2.038 7.472 -25.301 1.00 52.02 H new ATOM 0 HE2 LYS A 13 3.117 8.433 -27.089 1.00 74.11 H new ATOM 0 HE3 LYS A 13 3.040 6.891 -27.917 1.00 74.11 H new ATOM 0 HZ1 LYS A 13 1.836 8.615 -29.161 1.00 42.12 H new ATOM 0 HZ2 LYS A 13 0.757 7.418 -28.627 1.00 42.12 H new ATOM 0 HZ3 LYS A 13 0.832 8.912 -27.825 1.00 42.12 H new ATOM 202 N PRO A 14 1.930 3.505 -22.266 1.00 24.21 N ATOM 203 CA PRO A 14 2.382 2.522 -21.252 1.00 51.10 C ATOM 204 C PRO A 14 3.331 1.490 -21.870 1.00 3.33 C ATOM 205 O PRO A 14 3.923 0.684 -21.180 1.00 42.33 O ATOM 206 CB PRO A 14 1.090 1.869 -20.785 1.00 1.22 C ATOM 207 CG PRO A 14 0.132 2.049 -21.922 1.00 55.12 C ATOM 208 CD PRO A 14 0.522 3.322 -22.629 1.00 0.41 C ATOM 0 HA PRO A 14 2.941 2.982 -20.437 1.00 51.10 H new ATOM 0 HB2 PRO A 14 1.241 0.813 -20.559 1.00 1.22 H new ATOM 0 HB3 PRO A 14 0.716 2.339 -19.876 1.00 1.22 H new ATOM 0 HG2 PRO A 14 0.178 1.200 -22.604 1.00 55.12 H new ATOM 0 HG3 PRO A 14 -0.893 2.109 -21.557 1.00 55.12 H new ATOM 0 HD2 PRO A 14 0.395 3.236 -23.708 1.00 0.41 H new ATOM 0 HD3 PRO A 14 -0.088 4.164 -22.303 1.00 0.41 H new ATOM 216 N THR A 15 3.483 1.511 -23.164 1.00 35.41 N ATOM 217 CA THR A 15 4.396 0.533 -23.827 1.00 32.32 C ATOM 218 C THR A 15 5.166 1.230 -24.945 1.00 34.24 C ATOM 219 O THR A 15 5.306 0.716 -26.037 1.00 53.04 O ATOM 220 CB THR A 15 3.476 -0.546 -24.393 1.00 70.50 C ATOM 221 OG1 THR A 15 2.826 -0.049 -25.556 1.00 55.45 O ATOM 222 CG2 THR A 15 2.434 -0.920 -23.341 1.00 71.51 C ATOM 0 H THR A 15 3.015 2.163 -23.794 1.00 35.41 H new ATOM 0 HA THR A 15 5.133 0.112 -23.142 1.00 32.32 H new ATOM 0 HB THR A 15 4.060 -1.428 -24.656 1.00 70.50 H new ATOM 0 HG1 THR A 15 3.494 0.150 -26.245 1.00 55.45 H new ATOM 0 HG21 THR A 15 1.774 -1.690 -23.740 1.00 71.51 H new ATOM 0 HG22 THR A 15 2.936 -1.298 -22.450 1.00 71.51 H new ATOM 0 HG23 THR A 15 1.847 -0.039 -23.081 1.00 71.51 H new ATOM 230 N ASP A 16 5.652 2.406 -24.676 1.00 73.33 N ATOM 231 CA ASP A 16 6.403 3.162 -25.717 1.00 71.43 C ATOM 232 C ASP A 16 7.910 3.127 -25.460 1.00 52.31 C ATOM 233 O ASP A 16 8.396 2.418 -24.602 1.00 54.31 O ATOM 234 CB ASP A 16 5.886 4.583 -25.616 1.00 14.42 C ATOM 235 CG ASP A 16 5.439 5.026 -27.009 1.00 43.41 C ATOM 236 OD1 ASP A 16 6.256 4.964 -27.914 1.00 72.43 O ATOM 237 OD2 ASP A 16 4.296 5.421 -27.155 1.00 5.12 O ATOM 0 H ASP A 16 5.562 2.880 -23.777 1.00 73.33 H new ATOM 0 HA ASP A 16 6.254 2.730 -26.707 1.00 71.43 H new ATOM 0 HB2 ASP A 16 5.054 4.636 -24.914 1.00 14.42 H new ATOM 0 HB3 ASP A 16 6.665 5.245 -25.238 1.00 14.42 H new ATOM 242 N ASP A 17 8.645 3.911 -26.197 1.00 23.11 N ATOM 243 CA ASP A 17 10.119 3.966 -26.009 1.00 41.15 C ATOM 244 C ASP A 17 10.481 5.349 -25.484 1.00 72.22 C ATOM 245 O ASP A 17 9.612 6.117 -25.118 1.00 52.44 O ATOM 246 CB ASP A 17 10.711 3.735 -27.400 1.00 32.21 C ATOM 247 CG ASP A 17 11.347 2.344 -27.458 1.00 21.14 C ATOM 248 OD1 ASP A 17 10.945 1.498 -26.677 1.00 61.21 O ATOM 249 OD2 ASP A 17 12.225 2.150 -28.283 1.00 11.32 O ATOM 0 H ASP A 17 8.283 4.522 -26.929 1.00 23.11 H new ATOM 0 HA ASP A 17 10.495 3.228 -25.300 1.00 41.15 H new ATOM 0 HB2 ASP A 17 9.932 3.823 -28.158 1.00 32.21 H new ATOM 0 HB3 ASP A 17 11.458 4.498 -27.621 1.00 32.21 H new ATOM 254 N LEU A 18 11.732 5.694 -25.425 1.00 35.23 N ATOM 255 CA LEU A 18 12.061 7.037 -24.902 1.00 63.32 C ATOM 256 C LEU A 18 11.518 8.123 -25.832 1.00 73.25 C ATOM 257 O LEU A 18 11.233 9.224 -25.404 1.00 12.45 O ATOM 258 CB LEU A 18 13.591 7.111 -24.812 1.00 22.40 C ATOM 259 CG LEU A 18 14.079 7.404 -23.372 1.00 52.12 C ATOM 260 CD1 LEU A 18 15.092 8.553 -23.411 1.00 63.12 C ATOM 261 CD2 LEU A 18 12.941 7.840 -22.459 1.00 64.12 C ATOM 0 H LEU A 18 12.524 5.117 -25.710 1.00 35.23 H new ATOM 0 HA LEU A 18 11.607 7.200 -23.924 1.00 63.32 H new ATOM 0 HB2 LEU A 18 14.019 6.169 -25.154 1.00 22.40 H new ATOM 0 HB3 LEU A 18 13.955 7.889 -25.483 1.00 22.40 H new ATOM 0 HG LEU A 18 14.515 6.483 -22.985 1.00 52.12 H new ATOM 0 HD11 LEU A 18 15.440 8.765 -22.400 1.00 63.12 H new ATOM 0 HD12 LEU A 18 15.940 8.270 -24.035 1.00 63.12 H new ATOM 0 HD13 LEU A 18 14.618 9.442 -23.826 1.00 63.12 H new ATOM 0 HD21 LEU A 18 13.330 8.035 -21.460 1.00 64.12 H new ATOM 0 HD22 LEU A 18 12.485 8.748 -22.854 1.00 64.12 H new ATOM 0 HD23 LEU A 18 12.192 7.050 -22.409 1.00 64.12 H new ATOM 273 N LYS A 19 11.374 7.839 -27.098 1.00 33.42 N ATOM 274 CA LYS A 19 10.852 8.887 -28.020 1.00 75.52 C ATOM 275 C LYS A 19 9.487 9.355 -27.517 1.00 71.32 C ATOM 276 O LYS A 19 9.238 10.540 -27.371 1.00 34.35 O ATOM 277 CB LYS A 19 10.718 8.191 -29.376 1.00 4.45 C ATOM 278 CG LYS A 19 11.086 9.168 -30.494 1.00 62.33 C ATOM 279 CD LYS A 19 10.942 8.469 -31.848 1.00 34.02 C ATOM 280 CE LYS A 19 12.200 8.710 -32.688 1.00 24.40 C ATOM 281 NZ LYS A 19 11.699 9.234 -33.990 1.00 70.43 N ATOM 0 H LYS A 19 11.592 6.940 -27.529 1.00 33.42 H new ATOM 0 HA LYS A 19 11.499 9.762 -28.083 1.00 75.52 H new ATOM 0 HB2 LYS A 19 11.369 7.318 -29.414 1.00 4.45 H new ATOM 0 HB3 LYS A 19 9.697 7.834 -29.513 1.00 4.45 H new ATOM 0 HG2 LYS A 19 10.439 10.044 -30.454 1.00 62.33 H new ATOM 0 HG3 LYS A 19 12.109 9.521 -30.361 1.00 62.33 H new ATOM 0 HD2 LYS A 19 10.790 7.400 -31.702 1.00 34.02 H new ATOM 0 HD3 LYS A 19 10.065 8.847 -32.372 1.00 34.02 H new ATOM 0 HE2 LYS A 19 12.866 9.425 -32.205 1.00 24.40 H new ATOM 0 HE3 LYS A 19 12.766 7.789 -32.825 1.00 24.40 H new ATOM 0 HZ1 LYS A 19 12.504 9.424 -34.621 1.00 70.43 H new ATOM 0 HZ2 LYS A 19 11.073 8.530 -34.430 1.00 70.43 H new ATOM 0 HZ3 LYS A 19 11.170 10.115 -33.829 1.00 70.43 H new ATOM 295 N THR A 20 8.616 8.438 -27.196 1.00 51.24 N ATOM 296 CA THR A 20 7.294 8.850 -26.655 1.00 24.02 C ATOM 297 C THR A 20 7.502 9.369 -25.258 1.00 21.00 C ATOM 298 O THR A 20 7.003 10.408 -24.878 1.00 64.44 O ATOM 299 CB THR A 20 6.432 7.587 -26.581 1.00 53.14 C ATOM 300 OG1 THR A 20 5.826 7.354 -27.843 1.00 34.31 O ATOM 301 CG2 THR A 20 5.354 7.754 -25.508 1.00 73.13 C ATOM 0 H THR A 20 8.761 7.432 -27.284 1.00 51.24 H new ATOM 0 HA THR A 20 6.825 9.615 -27.274 1.00 24.02 H new ATOM 0 HB THR A 20 7.061 6.736 -26.320 1.00 53.14 H new ATOM 0 HG1 THR A 20 6.341 6.680 -28.334 1.00 34.31 H new ATOM 0 HG21 THR A 20 4.745 6.852 -25.461 1.00 73.13 H new ATOM 0 HG22 THR A 20 5.827 7.923 -24.541 1.00 73.13 H new ATOM 0 HG23 THR A 20 4.722 8.606 -25.757 1.00 73.13 H new ATOM 309 N ILE A 21 8.201 8.618 -24.470 1.00 1.34 N ATOM 310 CA ILE A 21 8.390 9.039 -23.094 1.00 65.41 C ATOM 311 C ILE A 21 8.878 10.477 -23.027 1.00 13.35 C ATOM 312 O ILE A 21 8.241 11.302 -22.417 1.00 33.54 O ATOM 313 CB ILE A 21 9.399 8.099 -22.542 1.00 54.30 C ATOM 314 CG1 ILE A 21 8.780 6.713 -22.480 1.00 0.31 C ATOM 315 CG2 ILE A 21 9.762 8.571 -21.143 1.00 44.50 C ATOM 316 CD1 ILE A 21 9.857 5.736 -22.068 1.00 33.30 C ATOM 0 H ILE A 21 8.643 7.736 -24.730 1.00 1.34 H new ATOM 0 HA ILE A 21 7.460 9.014 -22.525 1.00 65.41 H new ATOM 0 HB ILE A 21 10.294 8.066 -23.164 1.00 54.30 H new ATOM 0 HG12 ILE A 21 7.957 6.695 -21.766 1.00 0.31 H new ATOM 0 HG13 ILE A 21 8.367 6.437 -23.450 1.00 0.31 H new ATOM 0 HG21 ILE A 21 10.503 7.897 -20.713 1.00 44.50 H new ATOM 0 HG22 ILE A 21 10.174 9.579 -21.195 1.00 44.50 H new ATOM 0 HG23 ILE A 21 8.869 8.576 -20.518 1.00 44.50 H new ATOM 0 HD11 ILE A 21 9.437 4.732 -22.016 1.00 33.30 H new ATOM 0 HD12 ILE A 21 10.664 5.754 -22.800 1.00 33.30 H new ATOM 0 HD13 ILE A 21 10.248 6.017 -21.090 1.00 33.30 H new ATOM 328 N LYS A 22 9.985 10.824 -23.637 1.00 62.54 N ATOM 329 CA LYS A 22 10.381 12.248 -23.524 1.00 42.32 C ATOM 330 C LYS A 22 9.363 13.102 -24.221 1.00 3.32 C ATOM 331 O LYS A 22 9.003 14.135 -23.726 1.00 33.52 O ATOM 332 CB LYS A 22 11.742 12.462 -24.142 1.00 71.53 C ATOM 333 CG LYS A 22 12.323 13.702 -23.460 1.00 20.14 C ATOM 334 CD LYS A 22 13.840 13.666 -23.430 1.00 51.44 C ATOM 335 CE LYS A 22 14.334 14.217 -22.098 1.00 1.21 C ATOM 336 NZ LYS A 22 14.389 15.695 -22.273 1.00 74.15 N ATOM 0 H LYS A 22 10.598 10.216 -24.179 1.00 62.54 H new ATOM 0 HA LYS A 22 10.430 12.525 -22.471 1.00 42.32 H new ATOM 0 HB2 LYS A 22 12.383 11.594 -23.986 1.00 71.53 H new ATOM 0 HB3 LYS A 22 11.663 12.610 -25.219 1.00 71.53 H new ATOM 0 HG2 LYS A 22 11.990 14.597 -23.986 1.00 20.14 H new ATOM 0 HG3 LYS A 22 11.940 13.771 -22.442 1.00 20.14 H new ATOM 0 HD2 LYS A 22 14.193 12.644 -23.566 1.00 51.44 H new ATOM 0 HD3 LYS A 22 14.245 14.256 -24.252 1.00 51.44 H new ATOM 0 HE2 LYS A 22 13.660 13.943 -21.286 1.00 1.21 H new ATOM 0 HE3 LYS A 22 15.316 13.815 -21.847 1.00 1.21 H new ATOM 0 HZ1 LYS A 22 15.032 16.105 -21.566 1.00 74.15 H new ATOM 0 HZ2 LYS A 22 14.736 15.919 -23.228 1.00 74.15 H new ATOM 0 HZ3 LYS A 22 13.437 16.095 -22.148 1.00 74.15 H new ATOM 350 N THR A 23 8.833 12.694 -25.342 1.00 61.21 N ATOM 351 CA THR A 23 7.794 13.551 -25.932 1.00 60.21 C ATOM 352 C THR A 23 6.820 13.823 -24.804 1.00 64.00 C ATOM 353 O THR A 23 6.390 14.930 -24.601 1.00 21.22 O ATOM 354 CB THR A 23 7.133 12.728 -27.031 1.00 15.33 C ATOM 355 OG1 THR A 23 7.624 13.137 -28.301 1.00 65.53 O ATOM 356 CG2 THR A 23 5.633 12.965 -26.952 1.00 2.45 C ATOM 0 H THR A 23 9.068 11.841 -25.849 1.00 61.21 H new ATOM 0 HA THR A 23 8.161 14.487 -26.353 1.00 60.21 H new ATOM 0 HB THR A 23 7.356 11.669 -26.902 1.00 15.33 H new ATOM 0 HG1 THR A 23 7.197 12.604 -29.004 1.00 65.53 H new ATOM 0 HG21 THR A 23 5.132 12.387 -27.729 1.00 2.45 H new ATOM 0 HG22 THR A 23 5.266 12.653 -25.974 1.00 2.45 H new ATOM 0 HG23 THR A 23 5.424 14.025 -27.096 1.00 2.45 H new ATOM 364 N ALA A 24 6.530 12.779 -24.060 1.00 52.13 N ATOM 365 CA ALA A 24 5.619 12.879 -22.893 1.00 71.53 C ATOM 366 C ALA A 24 6.252 13.692 -21.775 1.00 74.12 C ATOM 367 O ALA A 24 5.728 14.696 -21.371 1.00 41.31 O ATOM 368 CB ALA A 24 5.505 11.450 -22.408 1.00 53.11 C ATOM 0 H ALA A 24 6.901 11.843 -24.225 1.00 52.13 H new ATOM 0 HA ALA A 24 4.673 13.351 -23.160 1.00 71.53 H new ATOM 0 HB1 ALA A 24 4.847 11.412 -21.540 1.00 53.11 H new ATOM 0 HB2 ALA A 24 5.093 10.828 -23.203 1.00 53.11 H new ATOM 0 HB3 ALA A 24 6.492 11.080 -22.132 1.00 53.11 H new ATOM 374 N TYR A 25 7.377 13.234 -21.274 1.00 54.31 N ATOM 375 CA TYR A 25 8.067 13.931 -20.149 1.00 74.23 C ATOM 376 C TYR A 25 8.591 15.284 -20.569 1.00 74.22 C ATOM 377 O TYR A 25 8.772 16.161 -19.768 1.00 51.04 O ATOM 378 CB TYR A 25 9.251 13.023 -19.760 1.00 43.53 C ATOM 379 CG TYR A 25 10.433 13.863 -19.312 1.00 5.22 C ATOM 380 CD1 TYR A 25 11.228 14.504 -20.259 1.00 25.23 C ATOM 381 CD2 TYR A 25 10.692 14.036 -17.954 1.00 74.24 C ATOM 382 CE1 TYR A 25 12.295 15.312 -19.839 1.00 13.12 C ATOM 383 CE2 TYR A 25 11.745 14.844 -17.527 1.00 14.32 C ATOM 384 CZ TYR A 25 12.551 15.485 -18.471 1.00 10.41 C ATOM 385 OH TYR A 25 13.595 16.288 -18.059 1.00 23.44 O ATOM 0 H TYR A 25 7.850 12.393 -21.605 1.00 54.31 H new ATOM 0 HA TYR A 25 7.376 14.101 -19.323 1.00 74.23 H new ATOM 0 HB2 TYR A 25 8.952 12.347 -18.959 1.00 43.53 H new ATOM 0 HB3 TYR A 25 9.538 12.403 -20.610 1.00 43.53 H new ATOM 0 HD1 TYR A 25 11.024 14.380 -21.312 1.00 25.23 H new ATOM 0 HD2 TYR A 25 10.070 13.539 -17.224 1.00 74.24 H new ATOM 0 HE1 TYR A 25 12.921 15.802 -20.571 1.00 13.12 H new ATOM 0 HE2 TYR A 25 11.937 14.974 -16.472 1.00 14.32 H new ATOM 0 HH TYR A 25 13.632 16.300 -17.080 1.00 23.44 H new ATOM 395 N ARG A 26 8.874 15.449 -21.798 1.00 55.55 N ATOM 396 CA ARG A 26 9.423 16.747 -22.231 1.00 74.11 C ATOM 397 C ARG A 26 8.276 17.711 -22.356 1.00 41.14 C ATOM 398 O ARG A 26 8.295 18.800 -21.820 1.00 4.32 O ATOM 399 CB ARG A 26 10.112 16.472 -23.554 1.00 43.33 C ATOM 400 CG ARG A 26 11.308 17.402 -23.684 1.00 20.00 C ATOM 401 CD ARG A 26 11.350 17.995 -25.095 1.00 74.55 C ATOM 402 NE ARG A 26 10.171 18.903 -25.172 1.00 11.35 N ATOM 403 CZ ARG A 26 9.648 19.196 -26.332 1.00 74.44 C ATOM 404 NH1 ARG A 26 9.057 18.267 -27.034 1.00 22.05 N ATOM 405 NH2 ARG A 26 9.716 20.416 -26.792 1.00 23.51 N ATOM 0 H ARG A 26 8.754 14.751 -22.532 1.00 55.55 H new ATOM 0 HA ARG A 26 10.138 17.188 -21.536 1.00 74.11 H new ATOM 0 HB2 ARG A 26 10.435 15.432 -23.603 1.00 43.33 H new ATOM 0 HB3 ARG A 26 9.419 16.630 -24.381 1.00 43.33 H new ATOM 0 HG2 ARG A 26 11.242 18.201 -22.945 1.00 20.00 H new ATOM 0 HG3 ARG A 26 12.229 16.856 -23.481 1.00 20.00 H new ATOM 0 HD2 ARG A 26 12.279 18.540 -25.266 1.00 74.55 H new ATOM 0 HD3 ARG A 26 11.295 17.213 -25.853 1.00 74.55 H new ATOM 0 HE ARG A 26 9.773 19.295 -24.319 1.00 11.35 H new ATOM 0 HH11 ARG A 26 9.004 17.313 -26.676 1.00 22.05 H new ATOM 0 HH12 ARG A 26 8.648 18.495 -27.940 1.00 22.05 H new ATOM 0 HH21 ARG A 26 10.178 21.142 -26.245 1.00 23.51 H new ATOM 0 HH22 ARG A 26 9.307 20.643 -27.698 1.00 23.51 H new ATOM 419 N ARG A 27 7.233 17.277 -22.981 1.00 61.42 N ATOM 420 CA ARG A 27 6.047 18.142 -23.051 1.00 74.10 C ATOM 421 C ARG A 27 5.574 18.245 -21.618 1.00 62.24 C ATOM 422 O ARG A 27 5.219 19.300 -21.140 1.00 32.14 O ATOM 423 CB ARG A 27 5.028 17.424 -23.950 1.00 60.14 C ATOM 424 CG ARG A 27 4.577 16.109 -23.308 1.00 55.01 C ATOM 425 CD ARG A 27 3.528 15.440 -24.184 1.00 73.13 C ATOM 426 NE ARG A 27 2.417 16.426 -24.290 1.00 74.11 N ATOM 427 CZ ARG A 27 2.299 17.162 -25.360 1.00 70.34 C ATOM 428 NH1 ARG A 27 2.483 16.634 -26.539 1.00 2.11 N ATOM 429 NH2 ARG A 27 1.995 18.427 -25.252 1.00 33.42 N ATOM 0 H ARG A 27 7.151 16.370 -23.441 1.00 61.42 H new ATOM 0 HA ARG A 27 6.217 19.136 -23.464 1.00 74.10 H new ATOM 0 HB2 ARG A 27 4.165 18.068 -24.117 1.00 60.14 H new ATOM 0 HB3 ARG A 27 5.472 17.226 -24.926 1.00 60.14 H new ATOM 0 HG2 ARG A 27 5.432 15.445 -23.178 1.00 55.01 H new ATOM 0 HG3 ARG A 27 4.168 16.300 -22.316 1.00 55.01 H new ATOM 0 HD2 ARG A 27 3.933 15.197 -25.166 1.00 73.13 H new ATOM 0 HD3 ARG A 27 3.184 14.506 -23.741 1.00 73.13 H new ATOM 0 HE ARG A 27 1.749 16.526 -23.526 1.00 74.11 H new ATOM 0 HH11 ARG A 27 2.719 15.645 -26.624 1.00 2.11 H new ATOM 0 HH12 ARG A 27 2.391 17.210 -27.376 1.00 2.11 H new ATOM 0 HH21 ARG A 27 1.850 18.840 -24.331 1.00 33.42 H new ATOM 0 HH22 ARG A 27 1.903 19.003 -26.089 1.00 33.42 H new ATOM 443 N LEU A 28 5.646 17.129 -20.924 1.00 52.24 N ATOM 444 CA LEU A 28 5.272 17.077 -19.485 1.00 74.12 C ATOM 445 C LEU A 28 6.158 17.958 -18.670 1.00 65.53 C ATOM 446 O LEU A 28 5.781 18.999 -18.225 1.00 74.41 O ATOM 447 CB LEU A 28 5.540 15.668 -19.038 1.00 4.01 C ATOM 448 CG LEU A 28 4.221 14.972 -18.908 1.00 64.42 C ATOM 449 CD1 LEU A 28 3.430 15.645 -17.827 1.00 64.23 C ATOM 450 CD2 LEU A 28 3.452 15.072 -20.189 1.00 62.55 C ATOM 0 H LEU A 28 5.956 16.238 -21.311 1.00 52.24 H new ATOM 0 HA LEU A 28 4.236 17.393 -19.360 1.00 74.12 H new ATOM 0 HB2 LEU A 28 6.175 15.153 -19.759 1.00 4.01 H new ATOM 0 HB3 LEU A 28 6.070 15.663 -18.086 1.00 4.01 H new ATOM 0 HG LEU A 28 4.392 13.922 -18.671 1.00 64.42 H new ATOM 0 HD11 LEU A 28 2.465 15.149 -17.720 1.00 64.23 H new ATOM 0 HD12 LEU A 28 3.976 15.584 -16.885 1.00 64.23 H new ATOM 0 HD13 LEU A 28 3.273 16.691 -18.089 1.00 64.23 H new ATOM 0 HD21 LEU A 28 2.495 14.562 -20.080 1.00 62.55 H new ATOM 0 HD22 LEU A 28 3.278 16.121 -20.428 1.00 62.55 H new ATOM 0 HD23 LEU A 28 4.022 14.606 -20.993 1.00 62.55 H new ATOM 462 N ALA A 29 7.352 17.522 -18.469 1.00 75.10 N ATOM 463 CA ALA A 29 8.285 18.301 -17.657 1.00 12.30 C ATOM 464 C ALA A 29 8.213 19.753 -18.088 1.00 12.32 C ATOM 465 O ALA A 29 8.455 20.661 -17.323 1.00 64.34 O ATOM 466 CB ALA A 29 9.627 17.732 -18.011 1.00 11.13 C ATOM 0 H ALA A 29 7.723 16.647 -18.839 1.00 75.10 H new ATOM 0 HA ALA A 29 8.077 18.256 -16.588 1.00 12.30 H new ATOM 0 HB1 ALA A 29 10.403 18.253 -17.450 1.00 11.13 H new ATOM 0 HB2 ALA A 29 9.650 16.671 -17.762 1.00 11.13 H new ATOM 0 HB3 ALA A 29 9.805 17.858 -19.079 1.00 11.13 H new ATOM 472 N ARG A 30 7.849 19.974 -19.315 1.00 42.22 N ATOM 473 CA ARG A 30 7.720 21.357 -19.799 1.00 32.22 C ATOM 474 C ARG A 30 6.421 21.934 -19.243 1.00 41.23 C ATOM 475 O ARG A 30 6.362 23.064 -18.800 1.00 23.12 O ATOM 476 CB ARG A 30 7.650 21.221 -21.308 1.00 3.43 C ATOM 477 CG ARG A 30 7.360 22.581 -21.934 1.00 51.44 C ATOM 478 CD ARG A 30 8.506 22.959 -22.873 1.00 31.51 C ATOM 479 NE ARG A 30 9.113 24.176 -22.269 1.00 32.25 N ATOM 480 CZ ARG A 30 10.163 24.723 -22.818 1.00 32.31 C ATOM 481 NH1 ARG A 30 11.152 23.975 -23.223 1.00 64.40 N ATOM 482 NH2 ARG A 30 10.223 26.019 -22.960 1.00 1.40 N ATOM 0 H ARG A 30 7.636 19.250 -20.001 1.00 42.22 H new ATOM 0 HA ARG A 30 8.535 22.014 -19.495 1.00 32.22 H new ATOM 0 HB2 ARG A 30 8.591 20.827 -21.691 1.00 3.43 H new ATOM 0 HB3 ARG A 30 6.871 20.510 -21.583 1.00 3.43 H new ATOM 0 HG2 ARG A 30 6.420 22.548 -22.484 1.00 51.44 H new ATOM 0 HG3 ARG A 30 7.248 23.336 -21.156 1.00 51.44 H new ATOM 0 HD2 ARG A 30 9.234 22.152 -22.952 1.00 31.51 H new ATOM 0 HD3 ARG A 30 8.141 23.158 -23.881 1.00 31.51 H new ATOM 0 HE ARG A 30 8.708 24.583 -21.426 1.00 32.25 H new ATOM 0 HH11 ARG A 30 11.105 22.962 -23.111 1.00 64.40 H new ATOM 0 HH12 ARG A 30 11.973 24.403 -23.652 1.00 64.40 H new ATOM 0 HH21 ARG A 30 9.450 26.603 -22.642 1.00 1.40 H new ATOM 0 HH22 ARG A 30 11.043 26.448 -23.389 1.00 1.40 H new ATOM 496 N LYS A 31 5.389 21.130 -19.222 1.00 73.45 N ATOM 497 CA LYS A 31 4.098 21.581 -18.651 1.00 50.22 C ATOM 498 C LYS A 31 4.097 21.227 -17.167 1.00 62.33 C ATOM 499 O LYS A 31 3.163 21.510 -16.443 1.00 21.54 O ATOM 500 CB LYS A 31 3.032 20.753 -19.399 1.00 44.20 C ATOM 501 CG LYS A 31 3.269 19.250 -19.143 1.00 35.22 C ATOM 502 CD LYS A 31 1.968 18.449 -19.091 1.00 10.23 C ATOM 503 CE LYS A 31 1.505 18.128 -20.509 1.00 14.41 C ATOM 504 NZ LYS A 31 0.661 19.283 -20.915 1.00 71.31 N ATOM 0 H LYS A 31 5.392 20.175 -19.580 1.00 73.45 H new ATOM 0 HA LYS A 31 3.919 22.651 -18.753 1.00 50.22 H new ATOM 0 HB2 LYS A 31 2.035 21.037 -19.062 1.00 44.20 H new ATOM 0 HB3 LYS A 31 3.079 20.962 -20.468 1.00 44.20 H new ATOM 0 HG2 LYS A 31 3.908 18.848 -19.930 1.00 35.22 H new ATOM 0 HG3 LYS A 31 3.805 19.126 -18.202 1.00 35.22 H new ATOM 0 HD2 LYS A 31 2.120 17.527 -18.530 1.00 10.23 H new ATOM 0 HD3 LYS A 31 1.200 19.018 -18.567 1.00 10.23 H new ATOM 0 HE2 LYS A 31 2.354 18.005 -21.182 1.00 14.41 H new ATOM 0 HE3 LYS A 31 0.938 17.197 -20.537 1.00 14.41 H new ATOM 0 HZ1 LYS A 31 -0.078 18.959 -21.571 1.00 71.31 H new ATOM 0 HZ2 LYS A 31 0.217 19.702 -20.073 1.00 71.31 H new ATOM 0 HZ3 LYS A 31 1.253 19.997 -21.386 1.00 71.31 H new ATOM 518 N TYR A 32 5.127 20.540 -16.729 1.00 20.03 N ATOM 519 CA TYR A 32 5.189 20.077 -15.325 1.00 10.42 C ATOM 520 C TYR A 32 6.355 20.691 -14.557 1.00 62.40 C ATOM 521 O TYR A 32 6.297 20.772 -13.346 1.00 2.53 O ATOM 522 CB TYR A 32 5.422 18.577 -15.437 1.00 22.21 C ATOM 523 CG TYR A 32 4.122 17.845 -15.551 1.00 64.13 C ATOM 524 CD1 TYR A 32 3.031 18.428 -16.180 1.00 10.43 C ATOM 525 CD2 TYR A 32 4.034 16.567 -15.034 1.00 53.25 C ATOM 526 CE1 TYR A 32 1.829 17.726 -16.296 1.00 43.34 C ATOM 527 CE2 TYR A 32 2.834 15.850 -15.137 1.00 5.11 C ATOM 528 CZ TYR A 32 1.728 16.431 -15.774 1.00 14.22 C ATOM 529 OH TYR A 32 0.543 15.732 -15.882 1.00 40.30 O ATOM 0 H TYR A 32 5.932 20.283 -17.300 1.00 20.03 H new ATOM 0 HA TYR A 32 4.283 20.356 -14.788 1.00 10.42 H new ATOM 0 HB2 TYR A 32 6.042 18.365 -16.308 1.00 22.21 H new ATOM 0 HB3 TYR A 32 5.969 18.223 -14.563 1.00 22.21 H new ATOM 0 HD1 TYR A 32 3.112 19.428 -16.581 1.00 10.43 H new ATOM 0 HD2 TYR A 32 4.890 16.120 -14.550 1.00 53.25 H new ATOM 0 HE1 TYR A 32 0.981 18.180 -16.786 1.00 43.34 H new ATOM 0 HE2 TYR A 32 2.761 14.853 -14.727 1.00 5.11 H new ATOM 0 HH TYR A 32 -0.193 16.359 -16.045 1.00 40.30 H new ATOM 539 N HIS A 33 7.427 21.110 -15.201 1.00 14.45 N ATOM 540 CA HIS A 33 8.530 21.677 -14.381 1.00 62.35 C ATOM 541 C HIS A 33 7.894 22.700 -13.457 1.00 60.31 C ATOM 542 O HIS A 33 7.303 23.649 -13.903 1.00 13.13 O ATOM 543 CB HIS A 33 9.561 22.308 -15.311 1.00 31.01 C ATOM 544 CG HIS A 33 10.741 22.620 -14.447 1.00 75.43 C ATOM 545 ND1 HIS A 33 10.749 23.737 -13.643 1.00 73.34 N ATOM 546 CD2 HIS A 33 11.858 21.901 -14.110 1.00 55.14 C ATOM 547 CE1 HIS A 33 11.818 23.653 -12.841 1.00 23.40 C ATOM 548 NE2 HIS A 33 12.540 22.556 -13.089 1.00 32.43 N ATOM 0 H HIS A 33 7.575 21.083 -16.210 1.00 14.45 H new ATOM 0 HA HIS A 33 9.048 20.922 -13.790 1.00 62.35 H new ATOM 0 HB2 HIS A 33 9.834 21.625 -16.116 1.00 31.01 H new ATOM 0 HB3 HIS A 33 9.167 23.211 -15.778 1.00 31.01 H new ATOM 0 HD2 HIS A 33 12.162 20.970 -14.566 1.00 55.14 H new ATOM 0 HE1 HIS A 33 12.067 24.383 -12.085 1.00 23.40 H new ATOM 0 HE2 HIS A 33 13.403 22.263 -12.630 1.00 32.43 H new ATOM 556 N PRO A 34 7.948 22.409 -12.200 1.00 21.12 N ATOM 557 CA PRO A 34 7.239 23.234 -11.209 1.00 30.32 C ATOM 558 C PRO A 34 7.546 24.725 -11.324 1.00 61.04 C ATOM 559 O PRO A 34 6.731 25.556 -10.975 1.00 1.34 O ATOM 560 CB PRO A 34 7.615 22.605 -9.884 1.00 53.52 C ATOM 561 CG PRO A 34 8.869 21.850 -10.165 1.00 63.35 C ATOM 562 CD PRO A 34 8.711 21.337 -11.569 1.00 61.03 C ATOM 0 HA PRO A 34 6.159 23.233 -11.355 1.00 30.32 H new ATOM 0 HB2 PRO A 34 7.773 23.363 -9.117 1.00 53.52 H new ATOM 0 HB3 PRO A 34 6.828 21.944 -9.522 1.00 53.52 H new ATOM 0 HG2 PRO A 34 9.745 22.493 -10.076 1.00 63.35 H new ATOM 0 HG3 PRO A 34 9.003 21.031 -9.459 1.00 63.35 H new ATOM 0 HD2 PRO A 34 9.673 21.180 -12.056 1.00 61.03 H new ATOM 0 HD3 PRO A 34 8.179 20.386 -11.598 1.00 61.03 H new ATOM 570 N ASP A 35 8.660 25.080 -11.871 1.00 70.41 N ATOM 571 CA ASP A 35 8.940 26.529 -12.071 1.00 64.42 C ATOM 572 C ASP A 35 7.943 27.041 -13.098 1.00 61.03 C ATOM 573 O ASP A 35 7.675 28.220 -13.216 1.00 12.40 O ATOM 574 CB ASP A 35 10.323 26.588 -12.699 1.00 43.41 C ATOM 575 CG ASP A 35 11.058 27.840 -12.219 1.00 71.05 C ATOM 576 OD1 ASP A 35 11.201 27.994 -11.017 1.00 23.23 O ATOM 577 OD2 ASP A 35 11.468 28.623 -13.061 1.00 53.52 O ATOM 0 H ASP A 35 9.389 24.442 -12.189 1.00 70.41 H new ATOM 0 HA ASP A 35 8.876 27.106 -11.149 1.00 64.42 H new ATOM 0 HB2 ASP A 35 10.892 25.697 -12.432 1.00 43.41 H new ATOM 0 HB3 ASP A 35 10.239 26.599 -13.786 1.00 43.41 H new ATOM 582 N VAL A 36 7.418 26.125 -13.856 1.00 33.21 N ATOM 583 CA VAL A 36 6.455 26.451 -14.917 1.00 33.03 C ATOM 584 C VAL A 36 5.701 25.160 -15.184 1.00 34.32 C ATOM 585 O VAL A 36 6.199 24.231 -15.788 1.00 13.21 O ATOM 586 CB VAL A 36 7.359 26.830 -16.115 1.00 54.13 C ATOM 587 CG1 VAL A 36 8.832 26.596 -15.749 1.00 14.22 C ATOM 588 CG2 VAL A 36 7.049 25.947 -17.319 1.00 40.43 C ATOM 0 H VAL A 36 7.630 25.131 -13.774 1.00 33.21 H new ATOM 0 HA VAL A 36 5.741 27.245 -14.698 1.00 33.03 H new ATOM 0 HB VAL A 36 7.175 27.877 -16.354 1.00 54.13 H new ATOM 0 HG11 VAL A 36 9.464 26.864 -16.595 1.00 14.22 H new ATOM 0 HG12 VAL A 36 9.096 27.212 -14.889 1.00 14.22 H new ATOM 0 HG13 VAL A 36 8.983 25.545 -15.502 1.00 14.22 H new ATOM 0 HG21 VAL A 36 7.694 26.228 -18.152 1.00 40.43 H new ATOM 0 HG22 VAL A 36 7.225 24.903 -17.060 1.00 40.43 H new ATOM 0 HG23 VAL A 36 6.006 26.078 -17.608 1.00 40.43 H new ATOM 598 N SER A 37 4.541 25.062 -14.701 1.00 11.43 N ATOM 599 CA SER A 37 3.822 23.801 -14.899 1.00 15.43 C ATOM 600 C SER A 37 2.320 23.967 -14.761 1.00 45.30 C ATOM 601 O SER A 37 1.856 24.693 -13.904 1.00 52.33 O ATOM 602 CB SER A 37 4.408 22.947 -13.817 1.00 20.42 C ATOM 603 OG SER A 37 3.613 23.060 -12.645 1.00 51.54 O ATOM 0 H SER A 37 4.047 25.785 -14.178 1.00 11.43 H new ATOM 0 HA SER A 37 3.936 23.380 -15.898 1.00 15.43 H new ATOM 0 HB2 SER A 37 4.451 21.907 -14.142 1.00 20.42 H new ATOM 0 HB3 SER A 37 5.431 23.258 -13.607 1.00 20.42 H new ATOM 0 HG SER A 37 4.109 23.554 -11.959 1.00 51.54 H new ATOM 609 N LYS A 38 1.537 23.279 -15.537 1.00 11.30 N ATOM 610 CA LYS A 38 0.082 23.426 -15.322 1.00 24.12 C ATOM 611 C LYS A 38 -0.542 22.089 -14.934 1.00 4.11 C ATOM 612 O LYS A 38 -1.346 21.516 -15.642 1.00 64.51 O ATOM 613 CB LYS A 38 -0.495 23.970 -16.632 1.00 4.04 C ATOM 614 CG LYS A 38 -0.199 22.998 -17.778 1.00 30.20 C ATOM 615 CD LYS A 38 0.126 23.794 -19.044 1.00 30.43 C ATOM 616 CE LYS A 38 0.837 22.887 -20.051 1.00 75.22 C ATOM 617 NZ LYS A 38 0.497 23.453 -21.387 1.00 62.33 N ATOM 0 H LYS A 38 1.828 22.646 -16.282 1.00 11.30 H new ATOM 0 HA LYS A 38 -0.136 24.109 -14.501 1.00 24.12 H new ATOM 0 HB2 LYS A 38 -1.571 24.112 -16.534 1.00 4.04 H new ATOM 0 HB3 LYS A 38 -0.063 24.946 -16.852 1.00 4.04 H new ATOM 0 HG2 LYS A 38 0.639 22.352 -17.515 1.00 30.20 H new ATOM 0 HG3 LYS A 38 -1.058 22.350 -17.952 1.00 30.20 H new ATOM 0 HD2 LYS A 38 -0.790 24.192 -19.481 1.00 30.43 H new ATOM 0 HD3 LYS A 38 0.758 24.647 -18.797 1.00 30.43 H new ATOM 0 HE2 LYS A 38 1.915 22.883 -19.887 1.00 75.22 H new ATOM 0 HE3 LYS A 38 0.497 21.855 -19.961 1.00 75.22 H new ATOM 0 HZ1 LYS A 38 0.949 22.884 -22.131 1.00 62.33 H new ATOM 0 HZ2 LYS A 38 -0.535 23.438 -21.518 1.00 62.33 H new ATOM 0 HZ3 LYS A 38 0.839 24.433 -21.446 1.00 62.33 H new ATOM 631 N GLU A 39 -0.188 21.631 -13.771 1.00 53.34 N ATOM 632 CA GLU A 39 -0.737 20.373 -13.218 1.00 42.43 C ATOM 633 C GLU A 39 -1.025 20.627 -11.734 1.00 15.25 C ATOM 634 O GLU A 39 -0.381 21.461 -11.130 1.00 21.12 O ATOM 635 CB GLU A 39 0.385 19.357 -13.430 1.00 2.41 C ATOM 636 CG GLU A 39 0.040 18.023 -12.784 1.00 65.52 C ATOM 637 CD GLU A 39 -0.710 17.152 -13.793 1.00 32.54 C ATOM 638 OE1 GLU A 39 -0.688 17.489 -14.966 1.00 41.14 O ATOM 639 OE2 GLU A 39 -1.295 16.166 -13.378 1.00 31.14 O ATOM 0 H GLU A 39 0.484 22.096 -13.161 1.00 53.34 H new ATOM 0 HA GLU A 39 -1.660 20.020 -13.677 1.00 42.43 H new ATOM 0 HB2 GLU A 39 0.556 19.215 -14.497 1.00 2.41 H new ATOM 0 HB3 GLU A 39 1.313 19.741 -13.007 1.00 2.41 H new ATOM 0 HG2 GLU A 39 0.949 17.519 -12.456 1.00 65.52 H new ATOM 0 HG3 GLU A 39 -0.574 18.183 -11.897 1.00 65.52 H new ATOM 646 N PRO A 40 -1.966 19.924 -11.181 1.00 40.31 N ATOM 647 CA PRO A 40 -2.300 20.120 -9.743 1.00 2.43 C ATOM 648 C PRO A 40 -1.080 19.844 -8.859 1.00 42.05 C ATOM 649 O PRO A 40 -0.995 20.300 -7.736 1.00 42.40 O ATOM 650 CB PRO A 40 -3.424 19.115 -9.506 1.00 65.44 C ATOM 651 CG PRO A 40 -3.251 18.103 -10.589 1.00 5.20 C ATOM 652 CD PRO A 40 -2.799 18.887 -11.792 1.00 41.32 C ATOM 0 HA PRO A 40 -2.599 21.139 -9.498 1.00 2.43 H new ATOM 0 HB2 PRO A 40 -3.347 18.658 -8.519 1.00 65.44 H new ATOM 0 HB3 PRO A 40 -4.402 19.593 -9.561 1.00 65.44 H new ATOM 0 HG2 PRO A 40 -2.514 17.350 -10.310 1.00 5.20 H new ATOM 0 HG3 PRO A 40 -4.184 17.577 -10.789 1.00 5.20 H new ATOM 0 HD2 PRO A 40 -2.236 18.271 -12.493 1.00 41.32 H new ATOM 0 HD3 PRO A 40 -3.639 19.310 -12.343 1.00 41.32 H new ATOM 660 N ASP A 41 -0.133 19.116 -9.368 1.00 55.35 N ATOM 661 CA ASP A 41 1.099 18.813 -8.584 1.00 51.53 C ATOM 662 C ASP A 41 2.293 18.657 -9.534 1.00 25.03 C ATOM 663 O ASP A 41 3.176 17.861 -9.308 1.00 50.20 O ATOM 664 CB ASP A 41 0.799 17.495 -7.867 1.00 21.14 C ATOM 665 CG ASP A 41 0.207 17.788 -6.486 1.00 63.32 C ATOM 666 OD1 ASP A 41 -0.990 18.010 -6.412 1.00 34.12 O ATOM 667 OD2 ASP A 41 0.962 17.786 -5.527 1.00 35.33 O ATOM 0 H ASP A 41 -0.156 18.711 -10.304 1.00 55.35 H new ATOM 0 HA ASP A 41 1.353 19.605 -7.879 1.00 51.53 H new ATOM 0 HB2 ASP A 41 0.100 16.900 -8.455 1.00 21.14 H new ATOM 0 HB3 ASP A 41 1.712 16.908 -7.766 1.00 21.14 H new ATOM 672 N ALA A 42 2.315 19.415 -10.598 1.00 72.23 N ATOM 673 CA ALA A 42 3.440 19.317 -11.581 1.00 71.01 C ATOM 674 C ALA A 42 4.779 19.242 -10.853 1.00 24.22 C ATOM 675 O ALA A 42 5.685 18.583 -11.296 1.00 1.54 O ATOM 676 CB ALA A 42 3.367 20.577 -12.441 1.00 51.52 C ATOM 0 H ALA A 42 1.599 20.103 -10.832 1.00 72.23 H new ATOM 0 HA ALA A 42 3.356 18.418 -12.191 1.00 71.01 H new ATOM 0 HB1 ALA A 42 4.168 20.560 -13.180 1.00 51.52 H new ATOM 0 HB2 ALA A 42 2.404 20.614 -12.950 1.00 51.52 H new ATOM 0 HB3 ALA A 42 3.477 21.457 -11.807 1.00 51.52 H new ATOM 682 N GLU A 43 4.928 19.872 -9.724 1.00 70.40 N ATOM 683 CA GLU A 43 6.231 19.732 -9.028 1.00 50.42 C ATOM 684 C GLU A 43 6.395 18.242 -8.757 1.00 3.01 C ATOM 685 O GLU A 43 7.411 17.638 -9.037 1.00 25.51 O ATOM 686 CB GLU A 43 6.118 20.553 -7.733 1.00 62.14 C ATOM 687 CG GLU A 43 5.413 19.741 -6.641 1.00 32.30 C ATOM 688 CD GLU A 43 5.447 20.519 -5.324 1.00 45.53 C ATOM 689 OE1 GLU A 43 6.445 20.424 -4.629 1.00 51.22 O ATOM 690 OE2 GLU A 43 4.474 21.194 -5.033 1.00 23.40 O ATOM 0 H GLU A 43 4.230 20.458 -9.266 1.00 70.40 H new ATOM 0 HA GLU A 43 7.093 20.089 -9.591 1.00 50.42 H new ATOM 0 HB2 GLU A 43 7.112 20.845 -7.393 1.00 62.14 H new ATOM 0 HB3 GLU A 43 5.564 21.472 -7.925 1.00 62.14 H new ATOM 0 HG2 GLU A 43 4.381 19.541 -6.931 1.00 32.30 H new ATOM 0 HG3 GLU A 43 5.903 18.775 -6.518 1.00 32.30 H new ATOM 697 N ALA A 44 5.347 17.644 -8.277 1.00 15.44 N ATOM 698 CA ALA A 44 5.348 16.187 -8.030 1.00 42.01 C ATOM 699 C ALA A 44 5.231 15.474 -9.357 1.00 54.04 C ATOM 700 O ALA A 44 6.023 14.628 -9.706 1.00 11.20 O ATOM 701 CB ALA A 44 4.074 15.948 -7.252 1.00 61.13 C ATOM 0 H ALA A 44 4.474 18.116 -8.042 1.00 15.44 H new ATOM 0 HA ALA A 44 6.243 15.841 -7.514 1.00 42.01 H new ATOM 0 HB1 ALA A 44 3.983 14.887 -7.019 1.00 61.13 H new ATOM 0 HB2 ALA A 44 4.100 16.522 -6.326 1.00 61.13 H new ATOM 0 HB3 ALA A 44 3.218 16.263 -7.849 1.00 61.13 H new ATOM 707 N ARG A 45 4.222 15.829 -10.096 1.00 35.42 N ATOM 708 CA ARG A 45 4.001 15.211 -11.407 1.00 41.44 C ATOM 709 C ARG A 45 5.284 15.321 -12.228 1.00 3.23 C ATOM 710 O ARG A 45 5.834 14.333 -12.671 1.00 14.14 O ATOM 711 CB ARG A 45 2.870 16.033 -12.022 1.00 60.04 C ATOM 712 CG ARG A 45 1.617 15.169 -12.161 1.00 13.34 C ATOM 713 CD ARG A 45 1.989 13.832 -12.799 1.00 41.53 C ATOM 714 NE ARG A 45 1.605 12.805 -11.793 1.00 72.33 N ATOM 715 CZ ARG A 45 0.403 12.298 -11.806 1.00 54.33 C ATOM 716 NH1 ARG A 45 -0.538 12.870 -12.507 1.00 71.30 N ATOM 717 NH2 ARG A 45 0.142 11.218 -11.122 1.00 4.12 N ATOM 0 H ARG A 45 3.534 16.535 -9.833 1.00 35.42 H new ATOM 0 HA ARG A 45 3.744 14.153 -11.360 1.00 41.44 H new ATOM 0 HB2 ARG A 45 2.657 16.900 -11.397 1.00 60.04 H new ATOM 0 HB3 ARG A 45 3.172 16.411 -12.999 1.00 60.04 H new ATOM 0 HG2 ARG A 45 1.166 15.004 -11.183 1.00 13.34 H new ATOM 0 HG3 ARG A 45 0.875 15.682 -12.772 1.00 13.34 H new ATOM 0 HD2 ARG A 45 1.458 13.682 -13.739 1.00 41.53 H new ATOM 0 HD3 ARG A 45 3.054 13.785 -13.024 1.00 41.53 H new ATOM 0 HE ARG A 45 2.281 12.498 -11.094 1.00 72.33 H new ATOM 0 HH11 ARG A 45 -0.333 13.713 -13.044 1.00 71.30 H new ATOM 0 HH12 ARG A 45 -1.478 12.474 -12.518 1.00 71.30 H new ATOM 0 HH21 ARG A 45 0.878 10.769 -10.577 1.00 4.12 H new ATOM 0 HH22 ARG A 45 -0.798 10.822 -11.133 1.00 4.12 H new ATOM 731 N PHE A 46 5.793 16.513 -12.404 1.00 44.43 N ATOM 732 CA PHE A 46 7.064 16.649 -13.163 1.00 12.42 C ATOM 733 C PHE A 46 8.056 15.699 -12.551 1.00 50.24 C ATOM 734 O PHE A 46 8.585 14.827 -13.206 1.00 41.53 O ATOM 735 CB PHE A 46 7.586 18.066 -12.942 1.00 2.11 C ATOM 736 CG PHE A 46 8.977 18.153 -13.526 1.00 13.20 C ATOM 737 CD1 PHE A 46 9.288 17.502 -14.729 1.00 51.33 C ATOM 738 CD2 PHE A 46 9.961 18.870 -12.850 1.00 34.41 C ATOM 739 CE1 PHE A 46 10.587 17.582 -15.245 1.00 4.41 C ATOM 740 CE2 PHE A 46 11.254 18.953 -13.365 1.00 61.20 C ATOM 741 CZ PHE A 46 11.570 18.310 -14.565 1.00 34.21 C ATOM 0 H PHE A 46 5.388 17.384 -12.060 1.00 44.43 H new ATOM 0 HA PHE A 46 6.917 16.444 -14.224 1.00 12.42 H new ATOM 0 HB2 PHE A 46 6.928 18.792 -13.418 1.00 2.11 H new ATOM 0 HB3 PHE A 46 7.605 18.303 -11.878 1.00 2.11 H new ATOM 0 HD1 PHE A 46 8.529 16.942 -15.255 1.00 51.33 H new ATOM 0 HD2 PHE A 46 9.721 19.365 -11.921 1.00 34.41 H new ATOM 0 HE1 PHE A 46 10.831 17.081 -16.170 1.00 4.41 H new ATOM 0 HE2 PHE A 46 12.011 19.514 -12.837 1.00 61.20 H new ATOM 0 HZ PHE A 46 12.570 18.375 -14.967 1.00 34.21 H new ATOM 751 N LYS A 47 8.310 15.847 -11.280 1.00 72.04 N ATOM 752 CA LYS A 47 9.259 14.919 -10.653 1.00 63.35 C ATOM 753 C LYS A 47 8.808 13.509 -10.993 1.00 10.01 C ATOM 754 O LYS A 47 9.615 12.659 -11.290 1.00 15.51 O ATOM 755 CB LYS A 47 9.200 15.176 -9.159 1.00 64.22 C ATOM 756 CG LYS A 47 9.919 16.489 -8.844 1.00 1.01 C ATOM 757 CD LYS A 47 9.942 16.703 -7.333 1.00 21.40 C ATOM 758 CE LYS A 47 11.363 17.051 -6.890 1.00 30.32 C ATOM 759 NZ LYS A 47 11.216 18.275 -6.055 1.00 13.11 N ATOM 0 H LYS A 47 7.906 16.557 -10.669 1.00 72.04 H new ATOM 0 HA LYS A 47 10.283 15.051 -11.001 1.00 63.35 H new ATOM 0 HB2 LYS A 47 8.163 15.227 -8.828 1.00 64.22 H new ATOM 0 HB3 LYS A 47 9.667 14.353 -8.618 1.00 64.22 H new ATOM 0 HG2 LYS A 47 10.936 16.462 -9.234 1.00 1.01 H new ATOM 0 HG3 LYS A 47 9.412 17.321 -9.333 1.00 1.01 H new ATOM 0 HD2 LYS A 47 9.257 17.505 -7.058 1.00 21.40 H new ATOM 0 HD3 LYS A 47 9.600 15.803 -6.822 1.00 21.40 H new ATOM 0 HE2 LYS A 47 11.810 16.236 -6.321 1.00 30.32 H new ATOM 0 HE3 LYS A 47 12.011 17.233 -7.748 1.00 30.32 H new ATOM 0 HZ1 LYS A 47 12.151 18.576 -5.713 1.00 13.11 H new ATOM 0 HZ2 LYS A 47 10.794 19.036 -6.625 1.00 13.11 H new ATOM 0 HZ3 LYS A 47 10.600 18.069 -5.243 1.00 13.11 H new ATOM 773 N GLU A 48 7.511 13.268 -11.006 1.00 34.10 N ATOM 774 CA GLU A 48 7.017 11.942 -11.389 1.00 61.21 C ATOM 775 C GLU A 48 7.425 11.707 -12.814 1.00 0.54 C ATOM 776 O GLU A 48 7.725 10.608 -13.214 1.00 70.21 O ATOM 777 CB GLU A 48 5.507 12.040 -11.313 1.00 30.32 C ATOM 778 CG GLU A 48 5.033 11.262 -10.124 1.00 63.04 C ATOM 779 CD GLU A 48 4.868 12.196 -8.925 1.00 11.42 C ATOM 780 OE1 GLU A 48 3.788 12.740 -8.767 1.00 70.44 O ATOM 781 OE2 GLU A 48 5.825 12.352 -8.184 1.00 52.44 O ATOM 0 H GLU A 48 6.790 13.947 -10.764 1.00 34.10 H new ATOM 0 HA GLU A 48 7.400 11.139 -10.759 1.00 61.21 H new ATOM 0 HB2 GLU A 48 5.200 13.082 -11.229 1.00 30.32 H new ATOM 0 HB3 GLU A 48 5.057 11.648 -12.225 1.00 30.32 H new ATOM 0 HG2 GLU A 48 4.084 10.776 -10.351 1.00 63.04 H new ATOM 0 HG3 GLU A 48 5.747 10.473 -9.886 1.00 63.04 H new ATOM 788 N VAL A 49 7.440 12.745 -13.591 1.00 54.31 N ATOM 789 CA VAL A 49 7.851 12.581 -14.992 1.00 22.24 C ATOM 790 C VAL A 49 9.316 12.393 -15.033 1.00 64.25 C ATOM 791 O VAL A 49 9.817 11.418 -15.460 1.00 75.35 O ATOM 792 CB VAL A 49 7.580 13.880 -15.691 1.00 52.15 C ATOM 793 CG1 VAL A 49 7.878 13.684 -17.150 1.00 31.31 C ATOM 794 CG2 VAL A 49 6.146 14.256 -15.512 1.00 10.34 C ATOM 0 H VAL A 49 7.186 13.693 -13.313 1.00 54.31 H new ATOM 0 HA VAL A 49 7.326 11.741 -15.446 1.00 22.24 H new ATOM 0 HB VAL A 49 8.201 14.676 -15.279 1.00 52.15 H new ATOM 0 HG11 VAL A 49 7.690 14.613 -17.688 1.00 31.31 H new ATOM 0 HG12 VAL A 49 8.923 13.398 -17.273 1.00 31.31 H new ATOM 0 HG13 VAL A 49 7.238 12.898 -17.550 1.00 31.31 H new ATOM 0 HG21 VAL A 49 5.951 15.200 -16.021 1.00 10.34 H new ATOM 0 HG22 VAL A 49 5.510 13.478 -15.935 1.00 10.34 H new ATOM 0 HG23 VAL A 49 5.928 14.365 -14.450 1.00 10.34 H new ATOM 804 N ALA A 50 9.994 13.337 -14.527 1.00 51.44 N ATOM 805 CA ALA A 50 11.450 13.263 -14.489 1.00 2.41 C ATOM 806 C ALA A 50 11.815 11.916 -13.921 1.00 31.34 C ATOM 807 O ALA A 50 12.798 11.298 -14.272 1.00 31.33 O ATOM 808 CB ALA A 50 11.730 14.388 -13.563 1.00 32.05 C ATOM 0 H ALA A 50 9.595 14.185 -14.124 1.00 51.44 H new ATOM 0 HA ALA A 50 11.997 13.345 -15.428 1.00 2.41 H new ATOM 0 HB1 ALA A 50 12.806 14.480 -13.417 1.00 32.05 H new ATOM 0 HB2 ALA A 50 11.341 15.314 -13.987 1.00 32.05 H new ATOM 0 HB3 ALA A 50 11.248 14.198 -12.604 1.00 32.05 H new ATOM 814 N GLU A 51 10.946 11.445 -13.097 1.00 4.03 N ATOM 815 CA GLU A 51 11.080 10.109 -12.511 1.00 43.13 C ATOM 816 C GLU A 51 10.713 9.136 -13.565 1.00 21.12 C ATOM 817 O GLU A 51 11.503 8.352 -14.010 1.00 43.32 O ATOM 818 CB GLU A 51 9.985 10.083 -11.514 1.00 30.33 C ATOM 819 CG GLU A 51 10.456 10.408 -10.133 1.00 62.12 C ATOM 820 CD GLU A 51 11.913 10.894 -10.086 1.00 52.44 C ATOM 821 OE1 GLU A 51 12.264 11.732 -10.902 1.00 70.23 O ATOM 822 OE2 GLU A 51 12.648 10.421 -9.236 1.00 42.13 O ATOM 0 H GLU A 51 10.115 11.954 -12.795 1.00 4.03 H new ATOM 0 HA GLU A 51 12.069 9.891 -12.109 1.00 43.13 H new ATOM 0 HB2 GLU A 51 9.214 10.796 -11.808 1.00 30.33 H new ATOM 0 HB3 GLU A 51 9.523 9.096 -11.513 1.00 30.33 H new ATOM 0 HG2 GLU A 51 9.810 11.176 -9.708 1.00 62.12 H new ATOM 0 HG3 GLU A 51 10.355 9.523 -9.505 1.00 62.12 H new ATOM 829 N ALA A 52 9.499 9.246 -14.015 1.00 24.13 N ATOM 830 CA ALA A 52 9.049 8.393 -15.111 1.00 62.13 C ATOM 831 C ALA A 52 10.123 8.513 -16.145 1.00 32.22 C ATOM 832 O ALA A 52 10.845 7.634 -16.515 1.00 41.50 O ATOM 833 CB ALA A 52 7.794 9.072 -15.602 1.00 43.35 C ATOM 0 H ALA A 52 8.802 9.900 -13.659 1.00 24.13 H new ATOM 0 HA ALA A 52 8.866 7.348 -14.862 1.00 62.13 H new ATOM 0 HB1 ALA A 52 7.374 8.505 -16.433 1.00 43.35 H new ATOM 0 HB2 ALA A 52 7.066 9.121 -14.792 1.00 43.35 H new ATOM 0 HB3 ALA A 52 8.033 10.081 -15.936 1.00 43.35 H new ATOM 839 N TRP A 53 10.274 9.647 -16.536 1.00 11.53 N ATOM 840 CA TRP A 53 11.315 9.954 -17.465 1.00 42.10 C ATOM 841 C TRP A 53 12.624 9.346 -16.974 1.00 45.13 C ATOM 842 O TRP A 53 13.375 8.792 -17.738 1.00 33.52 O ATOM 843 CB TRP A 53 11.331 11.442 -17.430 1.00 61.23 C ATOM 844 CG TRP A 53 12.376 11.841 -18.330 1.00 11.13 C ATOM 845 CD1 TRP A 53 13.403 12.636 -18.057 1.00 74.23 C ATOM 846 CD2 TRP A 53 12.512 11.393 -19.647 1.00 53.34 C ATOM 847 NE1 TRP A 53 14.210 12.689 -19.176 1.00 24.00 N ATOM 848 CE2 TRP A 53 13.672 11.923 -20.193 1.00 72.42 C ATOM 849 CE3 TRP A 53 11.714 10.571 -20.406 1.00 4.41 C ATOM 850 CZ2 TRP A 53 14.036 11.621 -21.478 1.00 51.42 C ATOM 851 CZ3 TRP A 53 12.049 10.266 -21.679 1.00 73.41 C ATOM 852 CH2 TRP A 53 13.224 10.784 -22.240 1.00 61.03 C ATOM 0 H TRP A 53 9.701 10.441 -16.251 1.00 11.53 H new ATOM 0 HA TRP A 53 11.173 9.563 -18.473 1.00 42.10 H new ATOM 0 HB2 TRP A 53 10.370 11.851 -17.740 1.00 61.23 H new ATOM 0 HB3 TRP A 53 11.522 11.808 -16.421 1.00 61.23 H new ATOM 0 HD1 TRP A 53 13.577 13.151 -17.124 1.00 74.23 H new ATOM 0 HE1 TRP A 53 15.079 13.218 -19.243 1.00 24.00 H new ATOM 0 HE3 TRP A 53 10.809 10.164 -19.980 1.00 4.41 H new ATOM 0 HZ2 TRP A 53 14.944 12.028 -21.897 1.00 51.42 H new ATOM 0 HZ3 TRP A 53 11.410 9.622 -22.265 1.00 73.41 H new ATOM 0 HH2 TRP A 53 13.498 10.536 -23.255 1.00 61.03 H new ATOM 863 N GLU A 54 12.869 9.361 -15.695 1.00 23.24 N ATOM 864 CA GLU A 54 14.094 8.688 -15.210 1.00 25.24 C ATOM 865 C GLU A 54 13.976 7.269 -15.690 1.00 44.34 C ATOM 866 O GLU A 54 14.695 6.822 -16.542 1.00 0.32 O ATOM 867 CB GLU A 54 13.996 8.684 -13.680 1.00 43.40 C ATOM 868 CG GLU A 54 15.375 8.453 -13.077 1.00 45.43 C ATOM 869 CD GLU A 54 16.089 9.792 -12.884 1.00 74.22 C ATOM 870 OE1 GLU A 54 15.799 10.460 -11.905 1.00 25.41 O ATOM 871 OE2 GLU A 54 16.915 10.126 -13.716 1.00 2.43 O ATOM 0 H GLU A 54 12.287 9.800 -14.982 1.00 23.24 H new ATOM 0 HA GLU A 54 15.019 9.157 -15.544 1.00 25.24 H new ATOM 0 HB2 GLU A 54 13.590 9.633 -13.330 1.00 43.40 H new ATOM 0 HB3 GLU A 54 13.310 7.903 -13.352 1.00 43.40 H new ATOM 0 HG2 GLU A 54 15.282 7.939 -12.120 1.00 45.43 H new ATOM 0 HG3 GLU A 54 15.963 7.808 -13.729 1.00 45.43 H new ATOM 878 N VAL A 55 12.987 6.607 -15.168 1.00 14.51 N ATOM 879 CA VAL A 55 12.680 5.212 -15.555 1.00 24.13 C ATOM 880 C VAL A 55 12.562 5.059 -17.016 1.00 51.10 C ATOM 881 O VAL A 55 13.295 4.338 -17.644 1.00 34.31 O ATOM 882 CB VAL A 55 11.309 4.873 -14.958 1.00 50.21 C ATOM 883 CG1 VAL A 55 11.420 4.174 -13.630 1.00 5.10 C ATOM 884 CG2 VAL A 55 10.489 6.070 -14.737 1.00 54.55 C ATOM 0 H VAL A 55 12.358 6.993 -14.464 1.00 14.51 H new ATOM 0 HA VAL A 55 13.482 4.566 -15.199 1.00 24.13 H new ATOM 0 HB VAL A 55 10.841 4.219 -15.694 1.00 50.21 H new ATOM 0 HG11 VAL A 55 10.422 3.956 -13.249 1.00 5.10 H new ATOM 0 HG12 VAL A 55 11.973 3.243 -13.754 1.00 5.10 H new ATOM 0 HG13 VAL A 55 11.945 4.817 -12.923 1.00 5.10 H new ATOM 0 HG21 VAL A 55 9.528 5.779 -14.313 1.00 54.55 H new ATOM 0 HG22 VAL A 55 11.002 6.740 -14.047 1.00 54.55 H new ATOM 0 HG23 VAL A 55 10.328 6.581 -15.686 1.00 54.55 H new ATOM 894 N LEU A 56 11.643 5.737 -17.537 1.00 0.24 N ATOM 895 CA LEU A 56 11.382 5.664 -18.961 1.00 32.42 C ATOM 896 C LEU A 56 12.654 5.966 -19.732 1.00 3.33 C ATOM 897 O LEU A 56 12.982 5.315 -20.704 1.00 75.52 O ATOM 898 CB LEU A 56 10.289 6.692 -19.171 1.00 51.22 C ATOM 899 CG LEU A 56 9.202 6.534 -18.117 1.00 74.31 C ATOM 900 CD1 LEU A 56 7.948 7.185 -18.580 1.00 3.45 C ATOM 901 CD2 LEU A 56 8.954 5.087 -17.833 1.00 4.02 C ATOM 0 H LEU A 56 11.030 6.369 -17.021 1.00 0.24 H new ATOM 0 HA LEU A 56 11.068 4.682 -19.316 1.00 32.42 H new ATOM 0 HB2 LEU A 56 10.711 7.696 -19.120 1.00 51.22 H new ATOM 0 HB3 LEU A 56 9.859 6.577 -20.166 1.00 51.22 H new ATOM 0 HG LEU A 56 9.535 7.015 -17.198 1.00 74.31 H new ATOM 0 HD11 LEU A 56 7.175 7.068 -17.820 1.00 3.45 H new ATOM 0 HD12 LEU A 56 8.130 8.246 -18.751 1.00 3.45 H new ATOM 0 HD13 LEU A 56 7.618 6.719 -19.509 1.00 3.45 H new ATOM 0 HD21 LEU A 56 8.174 4.993 -17.077 1.00 4.02 H new ATOM 0 HD22 LEU A 56 8.636 4.586 -18.747 1.00 4.02 H new ATOM 0 HD23 LEU A 56 9.871 4.626 -17.467 1.00 4.02 H new ATOM 913 N SER A 57 13.393 6.921 -19.276 1.00 72.12 N ATOM 914 CA SER A 57 14.683 7.235 -19.959 1.00 15.31 C ATOM 915 C SER A 57 15.780 6.311 -19.414 1.00 54.43 C ATOM 916 O SER A 57 16.876 6.258 -19.935 1.00 3.25 O ATOM 917 CB SER A 57 14.991 8.699 -19.647 1.00 52.30 C ATOM 918 OG SER A 57 15.611 8.788 -18.370 1.00 24.32 O ATOM 0 H SER A 57 13.171 7.500 -18.466 1.00 72.12 H new ATOM 0 HA SER A 57 14.627 7.081 -21.037 1.00 15.31 H new ATOM 0 HB2 SER A 57 15.646 9.115 -20.412 1.00 52.30 H new ATOM 0 HB3 SER A 57 14.073 9.286 -19.660 1.00 52.30 H new ATOM 0 HG SER A 57 15.041 8.358 -17.699 1.00 24.32 H new ATOM 924 N ASP A 58 15.483 5.568 -18.376 1.00 43.45 N ATOM 925 CA ASP A 58 16.495 4.631 -17.803 1.00 33.01 C ATOM 926 C ASP A 58 16.208 3.217 -18.278 1.00 73.31 C ATOM 927 O ASP A 58 15.233 2.614 -17.878 1.00 23.33 O ATOM 928 CB ASP A 58 16.324 4.669 -16.280 1.00 12.51 C ATOM 929 CG ASP A 58 17.687 4.870 -15.613 1.00 1.53 C ATOM 930 OD1 ASP A 58 18.323 5.871 -15.900 1.00 11.23 O ATOM 931 OD2 ASP A 58 18.071 4.020 -14.826 1.00 43.44 O ATOM 0 H ASP A 58 14.581 5.571 -17.901 1.00 43.45 H new ATOM 0 HA ASP A 58 17.501 4.918 -18.109 1.00 33.01 H new ATOM 0 HB2 ASP A 58 15.649 5.478 -16.000 1.00 12.51 H new ATOM 0 HB3 ASP A 58 15.871 3.741 -15.932 1.00 12.51 H new ATOM 936 N GLU A 59 17.047 2.663 -19.101 1.00 31.13 N ATOM 937 CA GLU A 59 16.797 1.271 -19.548 1.00 41.31 C ATOM 938 C GLU A 59 16.458 0.427 -18.319 1.00 5.01 C ATOM 939 O GLU A 59 15.606 -0.445 -18.358 1.00 60.43 O ATOM 940 CB GLU A 59 18.112 0.810 -20.180 1.00 31.51 C ATOM 941 CG GLU A 59 17.843 0.211 -21.562 1.00 43.42 C ATOM 942 CD GLU A 59 17.613 1.334 -22.574 1.00 61.33 C ATOM 943 OE1 GLU A 59 18.228 2.377 -22.423 1.00 33.55 O ATOM 944 OE2 GLU A 59 16.826 1.133 -23.485 1.00 51.30 O ATOM 0 H GLU A 59 17.884 3.106 -19.479 1.00 31.13 H new ATOM 0 HA GLU A 59 15.973 1.184 -20.256 1.00 41.31 H new ATOM 0 HB2 GLU A 59 18.799 1.652 -20.266 1.00 31.51 H new ATOM 0 HB3 GLU A 59 18.593 0.070 -19.541 1.00 31.51 H new ATOM 0 HG2 GLU A 59 18.687 -0.405 -21.873 1.00 43.42 H new ATOM 0 HG3 GLU A 59 16.970 -0.441 -21.523 1.00 43.42 H new ATOM 951 N GLN A 60 17.100 0.703 -17.211 1.00 21.03 N ATOM 952 CA GLN A 60 16.801 -0.072 -15.984 1.00 22.24 C ATOM 953 C GLN A 60 15.536 0.459 -15.326 1.00 61.55 C ATOM 954 O GLN A 60 14.550 -0.239 -15.237 1.00 4.13 O ATOM 955 CB GLN A 60 18.007 0.105 -15.064 1.00 73.42 C ATOM 956 CG GLN A 60 18.354 -1.253 -14.452 1.00 14.52 C ATOM 957 CD GLN A 60 19.256 -1.056 -13.233 1.00 50.22 C ATOM 958 OE1 GLN A 60 20.277 -0.402 -13.316 1.00 11.30 O ATOM 959 NE2 GLN A 60 18.920 -1.602 -12.096 1.00 75.45 N ATOM 0 H GLN A 60 17.811 1.427 -17.110 1.00 21.03 H new ATOM 0 HA GLN A 60 16.630 -1.126 -16.205 1.00 22.24 H new ATOM 0 HB2 GLN A 60 18.856 0.496 -15.624 1.00 73.42 H new ATOM 0 HB3 GLN A 60 17.782 0.828 -14.280 1.00 73.42 H new ATOM 0 HG2 GLN A 60 17.442 -1.775 -14.161 1.00 14.52 H new ATOM 0 HG3 GLN A 60 18.856 -1.877 -15.191 1.00 14.52 H new ATOM 0 HE21 GLN A 60 18.063 -2.151 -12.027 1.00 75.45 H new ATOM 0 HE22 GLN A 60 19.515 -1.480 -11.276 1.00 75.45 H new ATOM 968 N ARG A 61 15.527 1.680 -14.858 1.00 52.12 N ATOM 969 CA ARG A 61 14.276 2.158 -14.224 1.00 31.35 C ATOM 970 C ARG A 61 13.104 1.931 -15.185 1.00 41.20 C ATOM 971 O ARG A 61 12.093 1.441 -14.772 1.00 22.44 O ATOM 972 CB ARG A 61 14.429 3.637 -13.884 1.00 72.31 C ATOM 973 CG ARG A 61 15.416 3.851 -12.783 1.00 64.04 C ATOM 974 CD ARG A 61 14.946 3.099 -11.541 1.00 45.12 C ATOM 975 NE ARG A 61 15.351 3.958 -10.395 1.00 43.52 N ATOM 976 CZ ARG A 61 14.528 4.859 -9.935 1.00 12.50 C ATOM 977 NH1 ARG A 61 13.462 4.495 -9.275 1.00 42.14 N ATOM 978 NH2 ARG A 61 14.767 6.126 -10.137 1.00 70.43 N ATOM 0 H ARG A 61 16.303 2.341 -14.887 1.00 52.12 H new ATOM 0 HA ARG A 61 14.077 1.607 -13.305 1.00 31.35 H new ATOM 0 HB2 ARG A 61 14.749 4.183 -14.771 1.00 72.31 H new ATOM 0 HB3 ARG A 61 13.462 4.045 -13.590 1.00 72.31 H new ATOM 0 HG2 ARG A 61 16.401 3.497 -13.087 1.00 64.04 H new ATOM 0 HG3 ARG A 61 15.512 4.915 -12.565 1.00 64.04 H new ATOM 0 HD2 ARG A 61 13.867 2.945 -11.557 1.00 45.12 H new ATOM 0 HD3 ARG A 61 15.407 2.113 -11.478 1.00 45.12 H new ATOM 0 HE ARG A 61 16.271 3.842 -9.970 1.00 43.52 H new ATOM 0 HH11 ARG A 61 13.272 3.505 -9.119 1.00 42.14 H new ATOM 0 HH12 ARG A 61 12.819 5.201 -8.916 1.00 42.14 H new ATOM 0 HH21 ARG A 61 15.598 6.412 -10.655 1.00 70.43 H new ATOM 0 HH22 ARG A 61 14.123 6.830 -9.777 1.00 70.43 H new ATOM 992 N ARG A 62 13.191 2.234 -16.464 1.00 33.24 N ATOM 993 CA ARG A 62 11.991 1.916 -17.296 1.00 33.23 C ATOM 994 C ARG A 62 11.799 0.410 -17.215 1.00 42.35 C ATOM 995 O ARG A 62 10.711 -0.075 -17.066 1.00 1.02 O ATOM 996 CB ARG A 62 12.227 2.283 -18.752 1.00 33.14 C ATOM 997 CG ARG A 62 10.863 2.216 -19.436 1.00 23.22 C ATOM 998 CD ARG A 62 11.045 1.826 -20.901 1.00 64.24 C ATOM 999 NE ARG A 62 11.488 3.074 -21.580 1.00 41.35 N ATOM 1000 CZ ARG A 62 12.202 3.005 -22.670 1.00 21.12 C ATOM 1001 NH1 ARG A 62 12.040 2.007 -23.496 1.00 21.22 N ATOM 1002 NH2 ARG A 62 13.080 3.934 -22.933 1.00 71.02 N ATOM 0 H ARG A 62 13.987 2.660 -16.939 1.00 33.24 H new ATOM 0 HA ARG A 62 11.127 2.473 -16.935 1.00 33.23 H new ATOM 0 HB2 ARG A 62 12.656 3.281 -18.837 1.00 33.14 H new ATOM 0 HB3 ARG A 62 12.930 1.593 -19.218 1.00 33.14 H new ATOM 0 HG2 ARG A 62 10.227 1.489 -18.932 1.00 23.22 H new ATOM 0 HG3 ARG A 62 10.361 3.181 -19.365 1.00 23.22 H new ATOM 0 HD2 ARG A 62 11.786 1.034 -21.009 1.00 64.24 H new ATOM 0 HD3 ARG A 62 10.114 1.453 -21.329 1.00 64.24 H new ATOM 0 HE ARG A 62 11.234 3.983 -21.193 1.00 41.35 H new ATOM 0 HH11 ARG A 62 11.355 1.280 -23.290 1.00 21.22 H new ATOM 0 HH12 ARG A 62 12.599 1.954 -24.348 1.00 21.22 H new ATOM 0 HH21 ARG A 62 13.207 4.713 -22.287 1.00 71.02 H new ATOM 0 HH22 ARG A 62 13.639 3.881 -23.785 1.00 71.02 H new ATOM 1016 N ALA A 63 12.873 -0.341 -17.305 1.00 12.31 N ATOM 1017 CA ALA A 63 12.740 -1.819 -17.203 1.00 31.32 C ATOM 1018 C ALA A 63 12.084 -2.154 -15.867 1.00 24.01 C ATOM 1019 O ALA A 63 11.028 -2.751 -15.811 1.00 30.03 O ATOM 1020 CB ALA A 63 14.168 -2.346 -17.238 1.00 53.31 C ATOM 0 H ALA A 63 13.822 0.006 -17.443 1.00 12.31 H new ATOM 0 HA ALA A 63 12.134 -2.253 -17.998 1.00 31.32 H new ATOM 0 HB1 ALA A 63 14.156 -3.434 -17.167 1.00 53.31 H new ATOM 0 HB2 ALA A 63 14.643 -2.048 -18.173 1.00 53.31 H new ATOM 0 HB3 ALA A 63 14.729 -1.934 -16.399 1.00 53.31 H new ATOM 1026 N GLU A 64 12.688 -1.732 -14.785 1.00 70.40 N ATOM 1027 CA GLU A 64 12.080 -1.983 -13.456 1.00 61.31 C ATOM 1028 C GLU A 64 10.709 -1.320 -13.449 1.00 14.20 C ATOM 1029 O GLU A 64 9.716 -1.917 -13.077 1.00 40.53 O ATOM 1030 CB GLU A 64 13.020 -1.324 -12.446 1.00 32.44 C ATOM 1031 CG GLU A 64 14.276 -2.183 -12.288 1.00 5.10 C ATOM 1032 CD GLU A 64 14.857 -1.990 -10.886 1.00 13.43 C ATOM 1033 OE1 GLU A 64 14.260 -1.257 -10.115 1.00 72.03 O ATOM 1034 OE2 GLU A 64 15.888 -2.579 -10.607 1.00 33.50 O ATOM 0 H GLU A 64 13.574 -1.226 -14.771 1.00 70.40 H new ATOM 0 HA GLU A 64 11.953 -3.040 -13.220 1.00 61.31 H new ATOM 0 HB2 GLU A 64 13.290 -0.323 -12.783 1.00 32.44 H new ATOM 0 HB3 GLU A 64 12.519 -1.212 -11.485 1.00 32.44 H new ATOM 0 HG2 GLU A 64 14.033 -3.233 -12.451 1.00 5.10 H new ATOM 0 HG3 GLU A 64 15.015 -1.906 -13.040 1.00 5.10 H new ATOM 1041 N TYR A 65 10.639 -0.093 -13.902 1.00 13.33 N ATOM 1042 CA TYR A 65 9.333 0.584 -13.963 1.00 54.43 C ATOM 1043 C TYR A 65 8.383 -0.327 -14.706 1.00 34.03 C ATOM 1044 O TYR A 65 7.356 -0.742 -14.222 1.00 70.41 O ATOM 1045 CB TYR A 65 9.557 1.834 -14.825 1.00 2.31 C ATOM 1046 CG TYR A 65 8.236 2.418 -15.107 1.00 53.52 C ATOM 1047 CD1 TYR A 65 7.358 2.572 -14.055 1.00 11.42 C ATOM 1048 CD2 TYR A 65 7.874 2.809 -16.401 1.00 64.45 C ATOM 1049 CE1 TYR A 65 6.119 3.100 -14.273 1.00 72.32 C ATOM 1050 CE2 TYR A 65 6.618 3.355 -16.616 1.00 35.32 C ATOM 1051 CZ TYR A 65 5.733 3.498 -15.556 1.00 44.44 C ATOM 1052 OH TYR A 65 4.478 4.009 -15.784 1.00 72.54 O ATOM 0 H TYR A 65 11.433 0.457 -14.228 1.00 13.33 H new ATOM 0 HA TYR A 65 8.939 0.826 -12.976 1.00 54.43 H new ATOM 0 HB2 TYR A 65 10.190 2.552 -14.303 1.00 2.31 H new ATOM 0 HB3 TYR A 65 10.067 1.574 -15.752 1.00 2.31 H new ATOM 0 HD1 TYR A 65 7.651 2.275 -13.059 1.00 11.42 H new ATOM 0 HD2 TYR A 65 8.565 2.687 -17.222 1.00 64.45 H new ATOM 0 HE1 TYR A 65 5.431 3.211 -13.448 1.00 72.32 H new ATOM 0 HE2 TYR A 65 6.328 3.669 -17.608 1.00 35.32 H new ATOM 0 HH TYR A 65 3.875 3.286 -16.055 1.00 72.54 H new ATOM 1062 N ASP A 66 8.767 -0.655 -15.886 1.00 2.03 N ATOM 1063 CA ASP A 66 7.937 -1.566 -16.719 1.00 41.05 C ATOM 1064 C ASP A 66 7.727 -2.875 -15.962 1.00 53.54 C ATOM 1065 O ASP A 66 6.675 -3.481 -16.018 1.00 12.44 O ATOM 1066 CB ASP A 66 8.746 -1.799 -17.996 1.00 41.14 C ATOM 1067 CG ASP A 66 8.484 -0.659 -18.981 1.00 14.23 C ATOM 1068 OD1 ASP A 66 7.772 0.263 -18.614 1.00 73.42 O ATOM 1069 OD2 ASP A 66 8.998 -0.726 -20.085 1.00 30.11 O ATOM 0 H ASP A 66 9.629 -0.333 -16.326 1.00 2.03 H new ATOM 0 HA ASP A 66 6.954 -1.155 -16.948 1.00 41.05 H new ATOM 0 HB2 ASP A 66 9.809 -1.854 -17.761 1.00 41.14 H new ATOM 0 HB3 ASP A 66 8.470 -2.753 -18.445 1.00 41.14 H new ATOM 1074 N GLN A 67 8.728 -3.303 -15.243 1.00 52.14 N ATOM 1075 CA GLN A 67 8.611 -4.564 -14.464 1.00 31.55 C ATOM 1076 C GLN A 67 7.386 -4.508 -13.553 1.00 22.23 C ATOM 1077 O GLN A 67 6.474 -5.303 -13.674 1.00 32.33 O ATOM 1078 CB GLN A 67 9.892 -4.623 -13.635 1.00 2.35 C ATOM 1079 CG GLN A 67 10.251 -6.081 -13.346 1.00 3.44 C ATOM 1080 CD GLN A 67 11.772 -6.239 -13.339 1.00 44.33 C ATOM 1081 OE1 GLN A 67 12.392 -6.207 -12.296 1.00 33.12 O ATOM 1082 NE2 GLN A 67 12.403 -6.406 -14.468 1.00 73.32 N ATOM 0 H GLN A 67 9.627 -2.829 -15.162 1.00 52.14 H new ATOM 0 HA GLN A 67 8.491 -5.440 -15.101 1.00 31.55 H new ATOM 0 HB2 GLN A 67 10.707 -4.137 -14.172 1.00 2.35 H new ATOM 0 HB3 GLN A 67 9.757 -4.079 -12.700 1.00 2.35 H new ATOM 0 HG2 GLN A 67 9.839 -6.384 -12.384 1.00 3.44 H new ATOM 0 HG3 GLN A 67 9.810 -6.732 -14.101 1.00 3.44 H new ATOM 0 HE21 GLN A 67 11.882 -6.433 -15.344 1.00 73.32 H new ATOM 0 HE22 GLN A 67 13.418 -6.510 -14.475 1.00 73.32 H new ATOM 1091 N MET A 68 7.349 -3.572 -12.643 1.00 24.14 N ATOM 1092 CA MET A 68 6.157 -3.490 -11.739 1.00 11.22 C ATOM 1093 C MET A 68 4.904 -3.252 -12.583 1.00 72.02 C ATOM 1094 O MET A 68 3.839 -3.751 -12.283 1.00 73.13 O ATOM 1095 CB MET A 68 6.357 -2.327 -10.735 1.00 24.42 C ATOM 1096 CG MET A 68 7.627 -1.517 -11.016 1.00 3.50 C ATOM 1097 SD MET A 68 7.774 -0.185 -9.795 1.00 70.34 S ATOM 1098 CE MET A 68 7.389 1.178 -10.918 1.00 11.13 C ATOM 0 H MET A 68 8.074 -2.872 -12.485 1.00 24.14 H new ATOM 0 HA MET A 68 6.042 -4.421 -11.184 1.00 11.22 H new ATOM 0 HB2 MET A 68 5.492 -1.665 -10.775 1.00 24.42 H new ATOM 0 HB3 MET A 68 6.404 -2.730 -9.723 1.00 24.42 H new ATOM 0 HG2 MET A 68 8.502 -2.165 -10.971 1.00 3.50 H new ATOM 0 HG3 MET A 68 7.591 -1.100 -12.023 1.00 3.50 H new ATOM 0 HE1 MET A 68 8.137 1.963 -10.807 1.00 11.13 H new ATOM 0 HE2 MET A 68 7.394 0.815 -11.946 1.00 11.13 H new ATOM 0 HE3 MET A 68 6.404 1.579 -10.679 1.00 11.13 H new ATOM 1108 N TRP A 69 5.024 -2.502 -13.647 1.00 73.45 N ATOM 1109 CA TRP A 69 3.833 -2.249 -14.516 1.00 21.11 C ATOM 1110 C TRP A 69 3.321 -3.584 -15.098 1.00 2.41 C ATOM 1111 O TRP A 69 2.894 -4.452 -14.363 1.00 62.04 O ATOM 1112 CB TRP A 69 4.339 -1.284 -15.599 1.00 1.03 C ATOM 1113 CG TRP A 69 3.257 -0.311 -15.986 1.00 0.41 C ATOM 1114 CD1 TRP A 69 3.428 1.030 -16.077 1.00 53.45 C ATOM 1115 CD2 TRP A 69 1.856 -0.561 -16.328 1.00 14.45 C ATOM 1116 NE1 TRP A 69 2.240 1.613 -16.465 1.00 63.31 N ATOM 1117 CE2 TRP A 69 1.241 0.679 -16.631 1.00 2.21 C ATOM 1118 CE3 TRP A 69 1.066 -1.722 -16.412 1.00 41.21 C ATOM 1119 CZ2 TRP A 69 -0.102 0.763 -17.000 1.00 21.05 C ATOM 1120 CZ3 TRP A 69 -0.286 -1.640 -16.781 1.00 22.23 C ATOM 1121 CH2 TRP A 69 -0.868 -0.401 -17.075 1.00 30.52 C ATOM 0 H TRP A 69 5.889 -2.055 -13.952 1.00 73.45 H new ATOM 0 HA TRP A 69 2.987 -1.817 -13.982 1.00 21.11 H new ATOM 0 HB2 TRP A 69 5.210 -0.741 -15.232 1.00 1.03 H new ATOM 0 HB3 TRP A 69 4.660 -1.847 -16.475 1.00 1.03 H new ATOM 0 HD1 TRP A 69 4.349 1.558 -15.877 1.00 53.45 H new ATOM 0 HE1 TRP A 69 2.116 2.615 -16.611 1.00 63.31 H new ATOM 0 HE3 TRP A 69 1.503 -2.684 -16.191 1.00 41.21 H new ATOM 0 HZ2 TRP A 69 -0.545 1.722 -17.226 1.00 21.05 H new ATOM 0 HZ3 TRP A 69 -0.881 -2.539 -16.839 1.00 22.23 H new ATOM 0 HH2 TRP A 69 -1.908 -0.346 -17.359 1.00 30.52 H new ATOM 1132 N GLN A 70 3.332 -3.763 -16.397 1.00 3.54 N ATOM 1133 CA GLN A 70 2.815 -5.043 -16.970 1.00 24.10 C ATOM 1134 C GLN A 70 3.956 -6.023 -17.263 1.00 14.22 C ATOM 1135 O GLN A 70 3.725 -7.173 -17.582 1.00 14.32 O ATOM 1136 CB GLN A 70 2.118 -4.635 -18.269 1.00 71.14 C ATOM 1137 CG GLN A 70 0.705 -5.223 -18.298 1.00 64.01 C ATOM 1138 CD GLN A 70 0.130 -5.100 -19.711 1.00 43.41 C ATOM 1139 OE1 GLN A 70 0.308 -4.092 -20.366 1.00 64.11 O ATOM 1140 NE2 GLN A 70 -0.556 -6.091 -20.211 1.00 0.24 N ATOM 0 H GLN A 70 3.673 -3.085 -17.078 1.00 3.54 H new ATOM 0 HA GLN A 70 2.146 -5.553 -16.277 1.00 24.10 H new ATOM 0 HB2 GLN A 70 2.073 -3.549 -18.344 1.00 71.14 H new ATOM 0 HB3 GLN A 70 2.689 -4.990 -19.127 1.00 71.14 H new ATOM 0 HG2 GLN A 70 0.729 -6.269 -17.993 1.00 64.01 H new ATOM 0 HG3 GLN A 70 0.067 -4.698 -17.587 1.00 64.01 H new ATOM 0 HE21 GLN A 70 -0.705 -6.937 -19.661 1.00 0.24 H new ATOM 0 HE22 GLN A 70 -0.943 -6.020 -21.152 1.00 0.24 H new ATOM 1149 N HIS A 71 5.182 -5.589 -17.163 1.00 60.40 N ATOM 1150 CA HIS A 71 6.317 -6.517 -17.446 1.00 70.12 C ATOM 1151 C HIS A 71 6.687 -7.311 -16.190 1.00 52.22 C ATOM 1152 O HIS A 71 7.719 -7.948 -16.131 1.00 41.31 O ATOM 1153 CB HIS A 71 7.476 -5.618 -17.874 1.00 12.51 C ATOM 1154 CG HIS A 71 7.079 -4.832 -19.093 1.00 64.21 C ATOM 1155 ND1 HIS A 71 5.910 -4.200 -19.438 1.00 24.05 N flip ATOM 1156 CD2 HIS A 71 7.947 -4.627 -20.154 1.00 31.52 C flip ATOM 1157 CE1 HIS A 71 6.049 -3.610 -20.690 1.00 22.01 C flip ATOM 1158 NE2 HIS A 71 7.295 -3.897 -21.076 1.00 11.22 N flip ATOM 0 H HIS A 71 5.448 -4.640 -16.900 1.00 60.40 H new ATOM 0 HA HIS A 71 6.064 -7.246 -18.216 1.00 70.12 H new ATOM 0 HB2 HIS A 71 7.743 -4.941 -17.063 1.00 12.51 H new ATOM 0 HB3 HIS A 71 8.358 -6.222 -18.089 1.00 12.51 H new ATOM 0 HD2 HIS A 71 8.962 -4.988 -20.227 1.00 31.52 H new ATOM 0 HE1 HIS A 71 5.308 -3.042 -21.233 1.00 22.01 H new ATOM 0 HE2 HIS A 71 7.702 -3.599 -21.962 1.00 11.22 H new ATOM 1166 N ARG A 72 5.850 -7.282 -15.189 1.00 3.40 N ATOM 1167 CA ARG A 72 6.151 -8.040 -13.939 1.00 50.15 C ATOM 1168 C ARG A 72 7.594 -7.783 -13.491 1.00 30.02 C ATOM 1169 O ARG A 72 8.479 -8.453 -13.998 1.00 71.13 O ATOM 1170 CB ARG A 72 5.960 -9.510 -14.314 1.00 22.21 C ATOM 1171 CG ARG A 72 4.466 -9.813 -14.447 1.00 53.52 C ATOM 1172 CD ARG A 72 3.847 -9.967 -13.056 1.00 74.13 C ATOM 1173 NE ARG A 72 2.805 -8.906 -12.982 1.00 65.02 N ATOM 1174 CZ ARG A 72 1.609 -9.134 -13.451 1.00 31.52 C ATOM 1175 NH1 ARG A 72 1.412 -10.122 -14.280 1.00 21.32 N ATOM 1176 NH2 ARG A 72 0.610 -8.376 -13.090 1.00 53.13 N ATOM 1177 OXT ARG A 72 7.788 -6.925 -12.647 1.00 71.13 O ATOM 0 H ARG A 72 4.970 -6.766 -15.182 1.00 3.40 H new ATOM 0 HA ARG A 72 5.507 -7.741 -13.112 1.00 50.15 H new ATOM 0 HB2 ARG A 72 6.471 -9.726 -15.252 1.00 22.21 H new ATOM 0 HB3 ARG A 72 6.406 -10.151 -13.553 1.00 22.21 H new ATOM 0 HG2 ARG A 72 3.969 -9.009 -14.990 1.00 53.52 H new ATOM 0 HG3 ARG A 72 4.320 -10.726 -15.024 1.00 53.52 H new ATOM 0 HD2 ARG A 72 3.412 -10.958 -12.924 1.00 74.13 H new ATOM 0 HD3 ARG A 72 4.596 -9.841 -12.274 1.00 74.13 H new ATOM 0 HE ARG A 72 3.026 -8.002 -12.565 1.00 65.02 H new ATOM 0 HH11 ARG A 72 2.193 -10.715 -14.561 1.00 21.32 H new ATOM 0 HH12 ARG A 72 0.477 -10.301 -14.647 1.00 21.32 H new ATOM 0 HH21 ARG A 72 0.764 -7.605 -12.441 1.00 53.13 H new ATOM 0 HH22 ARG A 72 -0.325 -8.555 -13.457 1.00 53.13 H new TER 1191 ARG A 72