USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 644 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 20 TYR OH : rot 117:sc= -0.878! USER MOD Set 1.2: A 43 TYR OH : rot 30:sc= 0.00812 USER MOD Single : A 1 MET CE :methyl 145:sc= 0 (180deg=-0.321) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.0204 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.282 K(o=-0.28,f=-2!) USER MOD Single : A 19 GLN : amide:sc=-0.00392 K(o=-0.0039,f=-2.3!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 97:sc= 0.152 USER MOD Single : A 24 ASN :FLIP amide:sc= -0.04 F(o=-1.4,f=-0.04) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -139:sc= -0.147 USER MOD Single : A 37 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 82:sc= 0.383 USER MOD Single : A 47 TYR OH : rot 150:sc=-0.00166 USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.00464) USER MOD Single : A 53 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.4) USER MOD Single : A 58 GLN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 153:sc= -0.087 (180deg=-0.507) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 38:sc= 0.541 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.424 -14.451 13.290 1.00 0.00 N ATOM 2 CA MET A 1 -6.759 -13.974 13.737 1.00 0.00 C ATOM 3 C MET A 1 -7.873 -14.575 12.887 1.00 0.00 C ATOM 4 O MET A 1 -7.614 -15.333 11.951 1.00 0.00 O ATOM 5 CB MET A 1 -6.786 -12.446 13.645 1.00 0.00 C ATOM 6 CG MET A 1 -6.821 -11.756 15.000 1.00 0.00 C ATOM 7 SD MET A 1 -5.278 -10.910 15.394 1.00 0.00 S ATOM 8 CE MET A 1 -4.378 -12.218 16.223 1.00 0.00 C ATOM 0 H1 MET A 1 -4.711 -13.719 13.483 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.176 -15.320 13.804 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.450 -14.648 12.269 1.00 0.00 H new ATOM 0 HA MET A 1 -6.927 -14.291 14.766 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.907 -12.108 13.097 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.659 -12.140 13.068 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.639 -11.036 15.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.033 -12.494 15.773 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.317 -12.135 15.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.518 -12.130 17.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.750 -13.186 15.886 1.00 0.00 H new ATOM 18 N LYS A 2 -9.114 -14.232 13.216 1.00 0.00 N ATOM 19 CA LYS A 2 -10.269 -14.738 12.482 1.00 0.00 C ATOM 20 C LYS A 2 -10.544 -13.882 11.248 1.00 0.00 C ATOM 21 O LYS A 2 -10.333 -12.670 11.263 1.00 0.00 O ATOM 22 CB LYS A 2 -11.503 -14.763 13.386 1.00 0.00 C ATOM 23 CG LYS A 2 -11.697 -16.083 14.114 1.00 0.00 C ATOM 24 CD LYS A 2 -10.809 -16.178 15.344 1.00 0.00 C ATOM 25 CE LYS A 2 -11.092 -17.441 16.140 1.00 0.00 C ATOM 26 NZ LYS A 2 -12.133 -17.220 17.182 1.00 0.00 N ATOM 0 H LYS A 2 -9.346 -13.605 13.987 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.047 -15.754 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.422 -13.961 14.120 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.388 -14.556 12.784 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.741 -16.187 14.409 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -11.473 -16.908 13.438 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -9.762 -16.165 15.040 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -10.968 -15.305 15.977 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.418 -18.231 15.463 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.172 -17.786 16.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.297 -18.105 17.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.812 -16.484 17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.018 -16.916 16.729 1.00 0.00 H new ATOM 40 N PRO A 3 -11.023 -14.505 10.157 1.00 0.00 N ATOM 41 CA PRO A 3 -11.327 -13.794 8.912 1.00 0.00 C ATOM 42 C PRO A 3 -12.602 -12.962 9.015 1.00 0.00 C ATOM 43 O PRO A 3 -13.565 -13.189 8.282 1.00 0.00 O ATOM 44 CB PRO A 3 -11.503 -14.923 7.898 1.00 0.00 C ATOM 45 CG PRO A 3 -11.972 -16.083 8.706 1.00 0.00 C ATOM 46 CD PRO A 3 -11.306 -15.951 10.050 1.00 0.00 C ATOM 0 HA PRO A 3 -10.546 -13.081 8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -12.228 -14.656 7.129 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.566 -15.148 7.388 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.057 -16.075 8.806 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.703 -17.025 8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.956 -16.293 10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -10.393 -16.543 10.105 1.00 0.00 H new ATOM 54 N ARG A 4 -12.600 -11.997 9.929 1.00 0.00 N ATOM 55 CA ARG A 4 -13.757 -11.131 10.126 1.00 0.00 C ATOM 56 C ARG A 4 -13.694 -9.918 9.199 1.00 0.00 C ATOM 57 O ARG A 4 -14.646 -9.632 8.474 1.00 0.00 O ATOM 58 CB ARG A 4 -13.840 -10.677 11.585 1.00 0.00 C ATOM 59 CG ARG A 4 -15.097 -11.152 12.299 1.00 0.00 C ATOM 60 CD ARG A 4 -14.817 -12.354 13.187 1.00 0.00 C ATOM 61 NE ARG A 4 -15.357 -12.179 14.534 1.00 0.00 N ATOM 62 CZ ARG A 4 -15.487 -13.167 15.416 1.00 0.00 C ATOM 63 NH1 ARG A 4 -15.119 -14.402 15.098 1.00 0.00 N ATOM 64 NH2 ARG A 4 -15.987 -12.920 16.619 1.00 0.00 N ATOM 0 H ARG A 4 -11.812 -11.795 10.544 1.00 0.00 H new ATOM 0 HA ARG A 4 -14.653 -11.702 9.883 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -12.966 -11.045 12.122 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -13.801 -9.588 11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -15.502 -10.340 12.903 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -15.858 -11.412 11.563 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -15.251 -13.246 12.736 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.741 -12.518 13.246 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.652 -11.244 14.815 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.734 -14.598 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.221 -15.156 15.778 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.272 -11.973 16.868 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.087 -13.677 17.295 1.00 0.00 H new ATOM 78 N PRO A 5 -12.566 -9.184 9.208 1.00 0.00 N ATOM 79 CA PRO A 5 -12.390 -7.998 8.361 1.00 0.00 C ATOM 80 C PRO A 5 -12.472 -8.333 6.876 1.00 0.00 C ATOM 81 O PRO A 5 -13.318 -7.803 6.155 1.00 0.00 O ATOM 82 CB PRO A 5 -10.983 -7.498 8.716 1.00 0.00 C ATOM 83 CG PRO A 5 -10.664 -8.126 10.029 1.00 0.00 C ATOM 84 CD PRO A 5 -11.378 -9.447 10.038 1.00 0.00 C ATOM 0 HA PRO A 5 -13.172 -7.259 8.536 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -10.259 -7.788 7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.957 -6.410 8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -9.589 -8.262 10.146 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -10.997 -7.496 10.854 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.761 -10.243 9.620 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -11.650 -9.752 11.048 1.00 0.00 H new ATOM 92 N GLY A 6 -11.587 -9.216 6.425 1.00 0.00 N ATOM 93 CA GLY A 6 -11.573 -9.608 5.028 1.00 0.00 C ATOM 94 C GLY A 6 -10.298 -9.193 4.323 1.00 0.00 C ATOM 95 O GLY A 6 -10.341 -8.525 3.290 1.00 0.00 O ATOM 0 H GLY A 6 -10.878 -9.668 7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.689 -10.689 4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -12.428 -9.161 4.520 1.00 0.00 H new ATOM 99 N VAL A 7 -9.160 -9.586 4.884 1.00 0.00 N ATOM 100 CA VAL A 7 -7.865 -9.249 4.306 1.00 0.00 C ATOM 101 C VAL A 7 -7.401 -10.324 3.329 1.00 0.00 C ATOM 102 O VAL A 7 -7.879 -11.458 3.364 1.00 0.00 O ATOM 103 CB VAL A 7 -6.792 -9.065 5.395 1.00 0.00 C ATOM 104 CG1 VAL A 7 -7.125 -7.873 6.277 1.00 0.00 C ATOM 105 CG2 VAL A 7 -6.653 -10.331 6.227 1.00 0.00 C ATOM 0 H VAL A 7 -9.108 -10.139 5.740 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.995 -8.308 3.772 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.836 -8.871 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.355 -7.759 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.168 -6.970 5.668 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.091 -8.034 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.890 -10.182 6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.606 -10.559 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.363 -11.160 5.582 1.00 0.00 H new ATOM 115 N PHE A 8 -6.465 -9.960 2.459 1.00 0.00 N ATOM 116 CA PHE A 8 -5.934 -10.892 1.471 1.00 0.00 C ATOM 117 C PHE A 8 -4.483 -10.558 1.137 1.00 0.00 C ATOM 118 O PHE A 8 -4.211 -9.740 0.259 1.00 0.00 O ATOM 119 CB PHE A 8 -6.783 -10.861 0.199 1.00 0.00 C ATOM 120 CG PHE A 8 -8.251 -11.052 0.455 1.00 0.00 C ATOM 121 CD1 PHE A 8 -8.739 -12.274 0.890 1.00 0.00 C ATOM 122 CD2 PHE A 8 -9.143 -10.010 0.258 1.00 0.00 C ATOM 123 CE1 PHE A 8 -10.089 -12.453 1.125 1.00 0.00 C ATOM 124 CE2 PHE A 8 -10.494 -10.183 0.491 1.00 0.00 C ATOM 125 CZ PHE A 8 -10.968 -11.406 0.925 1.00 0.00 C ATOM 0 H PHE A 8 -6.058 -9.026 2.418 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.970 -11.895 1.897 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -6.631 -9.907 -0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.436 -11.640 -0.479 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.056 -13.096 1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.778 -9.052 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.456 -13.410 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.179 -9.363 0.334 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.024 -11.543 1.108 1.00 0.00 H new ATOM 135 N VAL A 9 -3.557 -11.197 1.846 1.00 0.00 N ATOM 136 CA VAL A 9 -2.131 -10.971 1.630 1.00 0.00 C ATOM 137 C VAL A 9 -1.722 -9.573 2.082 1.00 0.00 C ATOM 138 O VAL A 9 -0.988 -9.415 3.058 1.00 0.00 O ATOM 139 CB VAL A 9 -1.744 -11.155 0.149 1.00 0.00 C ATOM 140 CG1 VAL A 9 -0.234 -11.087 -0.022 1.00 0.00 C ATOM 141 CG2 VAL A 9 -2.290 -12.470 -0.389 1.00 0.00 C ATOM 0 H VAL A 9 -3.769 -11.877 2.576 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.602 -11.714 2.227 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.189 -10.342 -0.425 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.019 -11.219 -1.074 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.128 -10.117 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.235 -11.876 0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.006 -12.581 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.879 -13.298 0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.377 -12.474 -0.306 1.00 0.00 H new ATOM 151 N ASP A 10 -2.200 -8.561 1.368 1.00 0.00 N ATOM 152 CA ASP A 10 -1.884 -7.176 1.695 1.00 0.00 C ATOM 153 C ASP A 10 -2.746 -6.214 0.882 1.00 0.00 C ATOM 154 O ASP A 10 -2.263 -5.195 0.390 1.00 0.00 O ATOM 155 CB ASP A 10 -0.402 -6.895 1.440 1.00 0.00 C ATOM 156 CG ASP A 10 0.164 -5.863 2.395 1.00 0.00 C ATOM 157 OD1 ASP A 10 -0.049 -6.005 3.617 1.00 0.00 O ATOM 158 OD2 ASP A 10 0.823 -4.913 1.922 1.00 0.00 O ATOM 0 H ASP A 10 -2.809 -8.674 0.557 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.098 -7.020 2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.162 -7.823 1.536 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.272 -6.547 0.415 1.00 0.00 H new ATOM 163 N ARG A 11 -4.024 -6.549 0.743 1.00 0.00 N ATOM 164 CA ARG A 11 -4.956 -5.718 -0.011 1.00 0.00 C ATOM 165 C ARG A 11 -5.077 -4.330 0.609 1.00 0.00 C ATOM 166 O ARG A 11 -5.313 -3.346 -0.090 1.00 0.00 O ATOM 167 CB ARG A 11 -6.331 -6.385 -0.071 1.00 0.00 C ATOM 168 CG ARG A 11 -7.105 -6.071 -1.340 1.00 0.00 C ATOM 169 CD ARG A 11 -8.591 -6.343 -1.169 1.00 0.00 C ATOM 170 NE ARG A 11 -9.205 -6.827 -2.403 1.00 0.00 N ATOM 171 CZ ARG A 11 -8.894 -7.986 -2.980 1.00 0.00 C ATOM 172 NH1 ARG A 11 -7.982 -8.783 -2.437 1.00 0.00 N ATOM 173 NH2 ARG A 11 -9.500 -8.350 -4.103 1.00 0.00 N ATOM 0 H ARG A 11 -4.439 -7.391 1.143 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.567 -5.608 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.206 -7.465 0.010 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.918 -6.067 0.791 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.954 -5.026 -1.610 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.716 -6.672 -2.162 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.736 -7.080 -0.379 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.092 -5.430 -0.849 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.913 -6.243 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.515 -8.509 -1.573 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.748 -9.670 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.203 -7.742 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.263 -9.238 -4.546 1.00 0.00 H new ATOM 187 N LYS A 12 -4.917 -4.258 1.927 1.00 0.00 N ATOM 188 CA LYS A 12 -5.010 -2.989 2.641 1.00 0.00 C ATOM 189 C LYS A 12 -4.050 -1.958 2.055 1.00 0.00 C ATOM 190 O LYS A 12 -4.358 -0.769 2.007 1.00 0.00 O ATOM 191 CB LYS A 12 -4.714 -3.189 4.129 1.00 0.00 C ATOM 192 CG LYS A 12 -5.957 -3.416 4.972 1.00 0.00 C ATOM 193 CD LYS A 12 -6.428 -4.861 4.895 1.00 0.00 C ATOM 194 CE LYS A 12 -7.634 -5.006 3.979 1.00 0.00 C ATOM 195 NZ LYS A 12 -8.914 -4.781 4.706 1.00 0.00 N ATOM 0 H LYS A 12 -4.722 -5.063 2.522 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.028 -2.616 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.045 -4.042 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.184 -2.314 4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.747 -3.156 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.754 -2.754 4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.616 -5.491 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.684 -5.215 5.894 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -7.553 -4.294 3.157 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.637 -6.003 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.711 -4.889 4.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.004 -5.476 5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.922 -3.821 5.105 1.00 0.00 H new ATOM 209 N LEU A 13 -2.887 -2.422 1.609 1.00 0.00 N ATOM 210 CA LEU A 13 -1.886 -1.535 1.028 1.00 0.00 C ATOM 211 C LEU A 13 -2.469 -0.761 -0.149 1.00 0.00 C ATOM 212 O LEU A 13 -2.214 0.434 -0.309 1.00 0.00 O ATOM 213 CB LEU A 13 -0.665 -2.336 0.573 1.00 0.00 C ATOM 214 CG LEU A 13 0.673 -1.606 0.699 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.619 -0.263 -0.011 1.00 0.00 C ATOM 216 CD2 LEU A 13 1.040 -1.421 2.165 1.00 0.00 C ATOM 0 H LEU A 13 -2.615 -3.405 1.639 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.577 -0.823 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.616 -3.256 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.807 -2.625 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 13 1.443 -2.213 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.580 0.241 0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.400 -0.418 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.162 0.353 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.995 -0.900 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.267 -0.834 2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.121 -2.396 2.646 1.00 0.00 H new ATOM 228 N LYS A 14 -3.256 -1.449 -0.969 1.00 0.00 N ATOM 229 CA LYS A 14 -3.881 -0.828 -2.130 1.00 0.00 C ATOM 230 C LYS A 14 -5.034 0.076 -1.707 1.00 0.00 C ATOM 231 O LYS A 14 -5.107 1.234 -2.114 1.00 0.00 O ATOM 232 CB LYS A 14 -4.385 -1.899 -3.099 1.00 0.00 C ATOM 233 CG LYS A 14 -4.570 -1.394 -4.521 1.00 0.00 C ATOM 234 CD LYS A 14 -5.499 -2.296 -5.317 1.00 0.00 C ATOM 235 CE LYS A 14 -6.949 -2.106 -4.904 1.00 0.00 C ATOM 236 NZ LYS A 14 -7.838 -3.137 -5.508 1.00 0.00 N ATOM 0 H LYS A 14 -3.476 -2.438 -0.851 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.131 -0.218 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.681 -2.731 -3.106 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.335 -2.289 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.975 -0.382 -4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.601 -1.339 -5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.392 -2.083 -6.381 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.211 -3.337 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.026 -2.152 -3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.286 -1.114 -5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.818 -2.973 -5.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.784 -3.077 -6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.533 -4.082 -5.200 1.00 0.00 H new ATOM 250 N GLN A 15 -5.931 -0.464 -0.888 1.00 0.00 N ATOM 251 CA GLN A 15 -7.085 0.291 -0.409 1.00 0.00 C ATOM 252 C GLN A 15 -6.647 1.536 0.358 1.00 0.00 C ATOM 253 O GLN A 15 -7.134 2.638 0.101 1.00 0.00 O ATOM 254 CB GLN A 15 -7.960 -0.590 0.485 1.00 0.00 C ATOM 255 CG GLN A 15 -9.193 0.122 1.022 1.00 0.00 C ATOM 256 CD GLN A 15 -10.482 -0.589 0.661 1.00 0.00 C ATOM 257 OE1 GLN A 15 -10.528 -1.372 -0.288 1.00 0.00 O ATOM 258 NE2 GLN A 15 -11.539 -0.320 1.419 1.00 0.00 N ATOM 0 H GLN A 15 -5.881 -1.422 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.663 0.608 -1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.275 -1.467 -0.080 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.363 -0.948 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.118 0.202 2.107 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.221 1.138 0.629 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.456 0.336 2.196 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.434 -0.769 1.224 1.00 0.00 H new ATOM 267 N ARG A 16 -5.733 1.356 1.303 1.00 0.00 N ATOM 268 CA ARG A 16 -5.239 2.469 2.104 1.00 0.00 C ATOM 269 C ARG A 16 -4.539 3.501 1.228 1.00 0.00 C ATOM 270 O ARG A 16 -4.718 4.707 1.407 1.00 0.00 O ATOM 271 CB ARG A 16 -4.279 1.965 3.186 1.00 0.00 C ATOM 272 CG ARG A 16 -4.416 2.701 4.509 1.00 0.00 C ATOM 273 CD ARG A 16 -5.599 2.188 5.315 1.00 0.00 C ATOM 274 NE ARG A 16 -5.218 1.829 6.678 1.00 0.00 N ATOM 275 CZ ARG A 16 -4.590 0.700 7.000 1.00 0.00 C ATOM 276 NH1 ARG A 16 -4.275 -0.184 6.062 1.00 0.00 N ATOM 277 NH2 ARG A 16 -4.277 0.454 8.265 1.00 0.00 N ATOM 0 H ARG A 16 -5.320 0.452 1.533 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.095 2.945 2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.456 0.902 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.255 2.066 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.501 2.582 5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.538 3.768 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.376 2.952 5.345 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -6.027 1.318 4.817 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.446 2.482 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.514 -0.001 5.087 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -3.794 -1.047 6.315 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.517 1.129 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.796 -0.411 8.512 1.00 0.00 H new ATOM 291 N VAL A 17 -3.738 3.023 0.280 1.00 0.00 N ATOM 292 CA VAL A 17 -3.013 3.910 -0.619 1.00 0.00 C ATOM 293 C VAL A 17 -3.972 4.688 -1.518 1.00 0.00 C ATOM 294 O VAL A 17 -3.903 5.913 -1.594 1.00 0.00 O ATOM 295 CB VAL A 17 -2.004 3.121 -1.488 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.617 3.900 -2.740 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.766 2.774 -0.676 1.00 0.00 C ATOM 0 H VAL A 17 -3.576 2.029 0.116 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.462 4.618 -0.000 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.488 2.198 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.907 3.317 -3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.508 4.095 -3.337 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.159 4.846 -2.453 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.065 2.219 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.292 3.691 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.052 2.163 0.180 1.00 0.00 H new ATOM 307 N ILE A 18 -4.865 3.976 -2.200 1.00 0.00 N ATOM 308 CA ILE A 18 -5.826 4.618 -3.091 1.00 0.00 C ATOM 309 C ILE A 18 -6.636 5.681 -2.354 1.00 0.00 C ATOM 310 O ILE A 18 -6.989 6.713 -2.924 1.00 0.00 O ATOM 311 CB ILE A 18 -6.789 3.595 -3.730 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.640 2.910 -2.658 1.00 0.00 C ATOM 313 CG2 ILE A 18 -6.011 2.564 -4.536 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.742 2.043 -3.225 1.00 0.00 C ATOM 0 H ILE A 18 -4.943 2.960 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.247 5.092 -3.884 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.458 4.128 -4.406 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.994 2.297 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.082 3.671 -2.015 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.705 1.850 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.452 3.066 -5.326 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.318 2.037 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.304 1.589 -2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.411 2.655 -3.831 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.306 1.259 -3.845 1.00 0.00 H new ATOM 326 N GLN A 19 -6.923 5.422 -1.083 1.00 0.00 N ATOM 327 CA GLN A 19 -7.688 6.358 -0.269 1.00 0.00 C ATOM 328 C GLN A 19 -6.851 7.586 0.076 1.00 0.00 C ATOM 329 O GLN A 19 -7.374 8.696 0.180 1.00 0.00 O ATOM 330 CB GLN A 19 -8.168 5.676 1.014 1.00 0.00 C ATOM 331 CG GLN A 19 -9.246 4.628 0.779 1.00 0.00 C ATOM 332 CD GLN A 19 -9.533 3.800 2.016 1.00 0.00 C ATOM 333 OE1 GLN A 19 -8.617 3.291 2.663 1.00 0.00 O ATOM 334 NE2 GLN A 19 -10.811 3.658 2.350 1.00 0.00 N ATOM 0 H GLN A 19 -6.638 4.573 -0.595 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.555 6.681 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.317 5.206 1.506 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.552 6.434 1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.163 5.121 0.456 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.936 3.968 -0.031 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.538 4.097 1.785 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.066 3.110 3.171 1.00 0.00 H new ATOM 343 N TYR A 20 -5.550 7.379 0.257 1.00 0.00 N ATOM 344 CA TYR A 20 -4.640 8.471 0.595 1.00 0.00 C ATOM 345 C TYR A 20 -4.353 9.351 -0.618 1.00 0.00 C ATOM 346 O TYR A 20 -4.274 10.574 -0.501 1.00 0.00 O ATOM 347 CB TYR A 20 -3.333 7.915 1.160 1.00 0.00 C ATOM 348 CG TYR A 20 -3.374 7.665 2.651 1.00 0.00 C ATOM 349 CD1 TYR A 20 -3.932 8.598 3.515 1.00 0.00 C ATOM 350 CD2 TYR A 20 -2.857 6.496 3.194 1.00 0.00 C ATOM 351 CE1 TYR A 20 -3.973 8.375 4.878 1.00 0.00 C ATOM 352 CE2 TYR A 20 -2.894 6.264 4.556 1.00 0.00 C ATOM 353 CZ TYR A 20 -3.453 7.206 5.394 1.00 0.00 C ATOM 354 OH TYR A 20 -3.492 6.980 6.750 1.00 0.00 O ATOM 0 H TYR A 20 -5.102 6.466 0.176 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.125 9.087 1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.095 6.981 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.526 8.613 0.940 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.341 9.514 3.115 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.419 5.756 2.541 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.410 9.112 5.536 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.487 5.350 4.962 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.050 6.196 6.935 1.00 0.00 H new ATOM 364 N LEU A 21 -4.196 8.726 -1.782 1.00 0.00 N ATOM 365 CA LEU A 21 -3.916 9.465 -3.010 1.00 0.00 C ATOM 366 C LEU A 21 -5.141 10.252 -3.462 1.00 0.00 C ATOM 367 O LEU A 21 -5.049 11.436 -3.781 1.00 0.00 O ATOM 368 CB LEU A 21 -3.470 8.516 -4.125 1.00 0.00 C ATOM 369 CG LEU A 21 -2.502 7.409 -3.699 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.826 6.111 -4.417 1.00 0.00 C ATOM 371 CD2 LEU A 21 -1.064 7.817 -3.975 1.00 0.00 C ATOM 0 H LEU A 21 -4.257 7.715 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.108 10.165 -2.799 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.356 8.053 -4.560 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.998 9.104 -4.912 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.617 7.252 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.127 5.336 -4.101 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.843 5.804 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.741 6.260 -5.493 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.393 7.016 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.937 8.004 -5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.830 8.723 -3.417 1.00 0.00 H new ATOM 383 N SER A 22 -6.291 9.583 -3.485 1.00 0.00 N ATOM 384 CA SER A 22 -7.536 10.218 -3.900 1.00 0.00 C ATOM 385 C SER A 22 -7.901 11.366 -2.963 1.00 0.00 C ATOM 386 O SER A 22 -8.264 12.454 -3.411 1.00 0.00 O ATOM 387 CB SER A 22 -8.670 9.191 -3.932 1.00 0.00 C ATOM 388 OG SER A 22 -9.686 9.582 -4.839 1.00 0.00 O ATOM 0 H SER A 22 -6.385 8.602 -3.221 1.00 0.00 H new ATOM 0 HA SER A 22 -7.392 10.623 -4.902 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.275 8.217 -4.221 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.093 9.080 -2.933 1.00 0.00 H new ATOM 0 HG SER A 22 -10.398 8.909 -4.843 1.00 0.00 H new ATOM 394 N SER A 23 -7.800 11.117 -1.661 1.00 0.00 N ATOM 395 CA SER A 23 -8.119 12.130 -0.663 1.00 0.00 C ATOM 396 C SER A 23 -7.153 13.305 -0.749 1.00 0.00 C ATOM 397 O SER A 23 -7.525 14.449 -0.488 1.00 0.00 O ATOM 398 CB SER A 23 -8.076 11.522 0.741 1.00 0.00 C ATOM 399 OG SER A 23 -9.263 10.798 1.020 1.00 0.00 O ATOM 0 H SER A 23 -7.500 10.223 -1.273 1.00 0.00 H new ATOM 0 HA SER A 23 -9.126 12.497 -0.864 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.214 10.861 0.828 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.947 12.313 1.480 1.00 0.00 H new ATOM 0 HG SER A 23 -9.116 9.846 0.840 1.00 0.00 H new ATOM 405 N ASN A 24 -5.909 13.016 -1.119 1.00 0.00 N ATOM 406 CA ASN A 24 -4.888 14.051 -1.239 1.00 0.00 C ATOM 407 C ASN A 24 -3.662 13.524 -1.978 1.00 0.00 C ATOM 408 O ASN A 24 -3.459 12.314 -2.079 1.00 0.00 O ATOM 409 CB ASN A 24 -4.482 14.565 0.145 1.00 0.00 C ATOM 410 CG ASN A 24 -4.293 13.444 1.149 1.00 0.00 C ATOM 411 OD1 ASN A 24 -3.246 12.649 0.961 1.00 0.00 O flip ATOM 412 ND2 ASN A 24 -5.080 13.294 2.084 1.00 0.00 N flip ATOM 0 H ASN A 24 -5.584 12.075 -1.341 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.311 14.875 -1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.555 15.133 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.245 15.252 0.512 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.872 13.928 2.191 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.940 12.536 2.752 1.00 0.00 H new ATOM 419 N ARG A 25 -2.848 14.439 -2.494 1.00 0.00 N ATOM 420 CA ARG A 25 -1.642 14.065 -3.223 1.00 0.00 C ATOM 421 C ARG A 25 -0.639 13.381 -2.301 1.00 0.00 C ATOM 422 O ARG A 25 0.043 12.437 -2.701 1.00 0.00 O ATOM 423 CB ARG A 25 -1.006 15.301 -3.865 1.00 0.00 C ATOM 424 CG ARG A 25 -0.527 15.067 -5.289 1.00 0.00 C ATOM 425 CD ARG A 25 0.970 15.298 -5.422 1.00 0.00 C ATOM 426 NE ARG A 25 1.537 14.577 -6.560 1.00 0.00 N ATOM 427 CZ ARG A 25 1.425 14.981 -7.823 1.00 0.00 C ATOM 428 NH1 ARG A 25 0.771 16.098 -8.115 1.00 0.00 N ATOM 429 NH2 ARG A 25 1.971 14.266 -8.797 1.00 0.00 N ATOM 0 H ARG A 25 -3.002 15.445 -2.421 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.923 13.362 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.731 16.115 -3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.162 15.624 -3.255 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.766 14.047 -5.591 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.060 15.734 -5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.163 16.365 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.469 14.980 -4.506 1.00 0.00 H new ATOM 0 HE ARG A 25 2.048 13.714 -6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.350 16.653 -7.369 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.689 16.402 -9.085 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.476 13.407 -8.578 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.886 14.575 -9.765 1.00 0.00 H new ATOM 443 N CYS A 26 -0.554 13.863 -1.065 1.00 0.00 N ATOM 444 CA CYS A 26 0.366 13.296 -0.086 1.00 0.00 C ATOM 445 C CYS A 26 1.809 13.406 -0.568 1.00 0.00 C ATOM 446 O CYS A 26 2.375 12.443 -1.087 1.00 0.00 O ATOM 447 CB CYS A 26 0.017 11.833 0.186 1.00 0.00 C ATOM 448 SG CYS A 26 0.373 11.291 1.874 1.00 0.00 S ATOM 0 H CYS A 26 -1.111 14.644 -0.718 1.00 0.00 H new ATOM 0 HA CYS A 26 0.267 13.863 0.839 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -1.043 11.679 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.570 11.203 -0.511 1.00 0.00 H new ATOM 0 HG CYS A 26 0.042 10.041 2.007 1.00 0.00 H new ATOM 454 N GLY A 27 2.398 14.584 -0.394 1.00 0.00 N ATOM 455 CA GLY A 27 3.771 14.796 -0.816 1.00 0.00 C ATOM 456 C GLY A 27 3.865 15.363 -2.219 1.00 0.00 C ATOM 457 O GLY A 27 3.060 16.208 -2.609 1.00 0.00 O ATOM 0 H GLY A 27 1.950 15.396 0.031 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.261 15.476 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.311 13.850 -0.773 1.00 0.00 H new ATOM 461 N LYS A 28 4.850 14.897 -2.978 1.00 0.00 N ATOM 462 CA LYS A 28 5.048 15.362 -4.345 1.00 0.00 C ATOM 463 C LYS A 28 5.417 14.202 -5.266 1.00 0.00 C ATOM 464 O LYS A 28 4.623 13.792 -6.112 1.00 0.00 O ATOM 465 CB LYS A 28 6.142 16.433 -4.387 1.00 0.00 C ATOM 466 CG LYS A 28 5.757 17.661 -5.199 1.00 0.00 C ATOM 467 CD LYS A 28 5.904 18.938 -4.385 1.00 0.00 C ATOM 468 CE LYS A 28 6.466 20.073 -5.226 1.00 0.00 C ATOM 469 NZ LYS A 28 7.212 21.061 -4.399 1.00 0.00 N ATOM 0 H LYS A 28 5.524 14.197 -2.669 1.00 0.00 H new ATOM 0 HA LYS A 28 4.111 15.796 -4.696 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.378 16.740 -3.368 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.049 15.999 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.384 17.721 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.727 17.563 -5.541 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.933 19.228 -3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.560 18.755 -3.534 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.128 19.665 -5.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.651 20.577 -5.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.579 21.818 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 6.574 21.469 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.005 20.586 -3.922 1.00 0.00 H new ATOM 483 N TYR A 29 6.626 13.678 -5.093 1.00 0.00 N ATOM 484 CA TYR A 29 7.100 12.565 -5.906 1.00 0.00 C ATOM 485 C TYR A 29 7.277 11.309 -5.057 1.00 0.00 C ATOM 486 O TYR A 29 8.298 10.624 -5.143 1.00 0.00 O ATOM 487 CB TYR A 29 8.421 12.932 -6.588 1.00 0.00 C ATOM 488 CG TYR A 29 8.248 13.473 -7.990 1.00 0.00 C ATOM 489 CD1 TYR A 29 8.030 12.616 -9.062 1.00 0.00 C ATOM 490 CD2 TYR A 29 8.301 14.838 -8.241 1.00 0.00 C ATOM 491 CE1 TYR A 29 7.872 13.104 -10.345 1.00 0.00 C ATOM 492 CE2 TYR A 29 8.143 15.334 -9.521 1.00 0.00 C ATOM 493 CZ TYR A 29 7.928 14.464 -10.570 1.00 0.00 C ATOM 494 OH TYR A 29 7.771 14.954 -11.845 1.00 0.00 O ATOM 0 H TYR A 29 7.295 14.007 -4.397 1.00 0.00 H new ATOM 0 HA TYR A 29 6.352 12.358 -6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.939 13.675 -5.982 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.059 12.049 -6.624 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.983 11.551 -8.889 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.468 15.523 -7.423 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.706 12.424 -11.168 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.188 16.398 -9.700 1.00 0.00 H new ATOM 0 HH TYR A 29 7.836 15.932 -11.830 1.00 0.00 H new ATOM 504 N VAL A 30 6.276 11.012 -4.235 1.00 0.00 N ATOM 505 CA VAL A 30 6.318 9.839 -3.370 1.00 0.00 C ATOM 506 C VAL A 30 6.477 8.560 -4.186 1.00 0.00 C ATOM 507 O VAL A 30 5.571 8.161 -4.918 1.00 0.00 O ATOM 508 CB VAL A 30 5.048 9.733 -2.502 1.00 0.00 C ATOM 509 CG1 VAL A 30 3.810 9.582 -3.376 1.00 0.00 C ATOM 510 CG2 VAL A 30 5.162 8.575 -1.522 1.00 0.00 C ATOM 0 H VAL A 30 5.425 11.568 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 30 7.183 9.958 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 30 4.948 10.655 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.925 9.509 -2.744 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.718 10.449 -4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.899 8.680 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.256 8.518 -0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.291 7.643 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.022 8.733 -0.871 1.00 0.00 H new ATOM 520 N ASP A 31 7.637 7.923 -4.058 1.00 0.00 N ATOM 521 CA ASP A 31 7.915 6.691 -4.786 1.00 0.00 C ATOM 522 C ASP A 31 7.418 5.474 -4.011 1.00 0.00 C ATOM 523 O ASP A 31 6.816 5.609 -2.945 1.00 0.00 O ATOM 524 CB ASP A 31 9.416 6.563 -5.056 1.00 0.00 C ATOM 525 CG ASP A 31 9.712 6.152 -6.485 1.00 0.00 C ATOM 526 OD1 ASP A 31 9.072 5.197 -6.974 1.00 0.00 O ATOM 527 OD2 ASP A 31 10.585 6.787 -7.116 1.00 0.00 O ATOM 0 H ASP A 31 8.398 8.240 -3.458 1.00 0.00 H new ATOM 0 HA ASP A 31 7.384 6.732 -5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.903 7.515 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.844 5.829 -4.373 1.00 0.00 H new ATOM 532 N THR A 32 7.671 4.288 -4.554 1.00 0.00 N ATOM 533 CA THR A 32 7.249 3.047 -3.915 1.00 0.00 C ATOM 534 C THR A 32 7.865 2.914 -2.526 1.00 0.00 C ATOM 535 O THR A 32 7.152 2.778 -1.532 1.00 0.00 O ATOM 536 CB THR A 32 7.641 1.846 -4.776 1.00 0.00 C ATOM 537 OG1 THR A 32 9.034 1.847 -5.036 1.00 0.00 O ATOM 538 CG2 THR A 32 6.926 1.807 -6.110 1.00 0.00 C ATOM 0 H THR A 32 8.167 4.160 -5.436 1.00 0.00 H new ATOM 0 HA THR A 32 6.164 3.072 -3.811 1.00 0.00 H new ATOM 0 HB THR A 32 7.348 0.970 -4.198 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.193 1.588 -5.968 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.250 0.930 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.850 1.755 -5.945 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.163 2.708 -6.676 1.00 0.00 H new ATOM 546 N GLY A 33 9.191 2.952 -2.464 1.00 0.00 N ATOM 547 CA GLY A 33 9.878 2.833 -1.191 1.00 0.00 C ATOM 548 C GLY A 33 9.519 3.950 -0.232 1.00 0.00 C ATOM 549 O GLY A 33 9.415 3.732 0.975 1.00 0.00 O ATOM 0 H GLY A 33 9.803 3.063 -3.272 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.630 1.874 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.955 2.836 -1.361 1.00 0.00 H new ATOM 553 N ILE A 34 9.327 5.150 -0.770 1.00 0.00 N ATOM 554 CA ILE A 34 8.976 6.307 0.044 1.00 0.00 C ATOM 555 C ILE A 34 7.581 6.152 0.642 1.00 0.00 C ATOM 556 O ILE A 34 7.347 6.500 1.799 1.00 0.00 O ATOM 557 CB ILE A 34 9.031 7.609 -0.779 1.00 0.00 C ATOM 558 CG1 ILE A 34 10.379 7.730 -1.493 1.00 0.00 C ATOM 559 CG2 ILE A 34 8.790 8.816 0.115 1.00 0.00 C ATOM 560 CD1 ILE A 34 10.512 8.984 -2.330 1.00 0.00 C ATOM 0 H ILE A 34 9.409 5.346 -1.768 1.00 0.00 H new ATOM 0 HA ILE A 34 9.709 6.365 0.849 1.00 0.00 H new ATOM 0 HB ILE A 34 8.243 7.577 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.177 7.713 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.521 6.859 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.833 9.726 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.808 8.733 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.557 8.854 0.889 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.492 9.002 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.737 8.994 -3.096 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.403 9.861 -1.692 1.00 0.00 H new ATOM 572 N LEU A 35 6.657 5.627 -0.157 1.00 0.00 N ATOM 573 CA LEU A 35 5.285 5.424 0.290 1.00 0.00 C ATOM 574 C LEU A 35 5.216 4.347 1.368 1.00 0.00 C ATOM 575 O LEU A 35 4.464 4.469 2.334 1.00 0.00 O ATOM 576 CB LEU A 35 4.394 5.036 -0.892 1.00 0.00 C ATOM 577 CG LEU A 35 2.900 4.960 -0.580 1.00 0.00 C ATOM 578 CD1 LEU A 35 2.339 6.349 -0.315 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.151 4.290 -1.722 1.00 0.00 C ATOM 0 H LEU A 35 6.835 5.335 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 35 4.926 6.361 0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.546 5.759 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.720 4.067 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 35 2.766 4.358 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.274 6.275 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.856 6.794 0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.485 6.974 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.089 4.244 -1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.293 4.865 -2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.534 3.280 -1.865 1.00 0.00 H new ATOM 591 N ALA A 36 6.006 3.292 1.194 1.00 0.00 N ATOM 592 CA ALA A 36 6.035 2.192 2.150 1.00 0.00 C ATOM 593 C ALA A 36 6.404 2.682 3.546 1.00 0.00 C ATOM 594 O ALA A 36 5.768 2.312 4.533 1.00 0.00 O ATOM 595 CB ALA A 36 7.013 1.120 1.690 1.00 0.00 C ATOM 0 H ALA A 36 6.635 3.176 0.399 1.00 0.00 H new ATOM 0 HA ALA A 36 5.035 1.762 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.025 0.304 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.703 0.738 0.717 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.012 1.549 1.610 1.00 0.00 H new ATOM 601 N SER A 37 7.438 3.514 3.621 1.00 0.00 N ATOM 602 CA SER A 37 7.894 4.053 4.897 1.00 0.00 C ATOM 603 C SER A 37 6.859 5.005 5.492 1.00 0.00 C ATOM 604 O SER A 37 6.628 5.009 6.700 1.00 0.00 O ATOM 605 CB SER A 37 9.227 4.781 4.719 1.00 0.00 C ATOM 606 OG SER A 37 10.034 4.138 3.746 1.00 0.00 O ATOM 0 H SER A 37 7.976 3.829 2.814 1.00 0.00 H new ATOM 0 HA SER A 37 8.030 3.219 5.585 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.044 5.813 4.420 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.757 4.814 5.671 1.00 0.00 H new ATOM 0 HG SER A 37 10.880 4.624 3.650 1.00 0.00 H new ATOM 612 N ASP A 38 6.240 5.810 4.634 1.00 0.00 N ATOM 613 CA ASP A 38 5.232 6.767 5.077 1.00 0.00 C ATOM 614 C ASP A 38 3.970 6.052 5.553 1.00 0.00 C ATOM 615 O ASP A 38 3.442 6.351 6.624 1.00 0.00 O ATOM 616 CB ASP A 38 4.888 7.737 3.945 1.00 0.00 C ATOM 617 CG ASP A 38 4.719 9.162 4.436 1.00 0.00 C ATOM 618 OD1 ASP A 38 4.495 9.349 5.651 1.00 0.00 O ATOM 619 OD2 ASP A 38 4.810 10.089 3.605 1.00 0.00 O ATOM 0 H ASP A 38 6.418 5.819 3.630 1.00 0.00 H new ATOM 0 HA ASP A 38 5.645 7.329 5.915 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.675 7.706 3.192 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.968 7.412 3.458 1.00 0.00 H new ATOM 624 N LEU A 39 3.490 5.107 4.750 1.00 0.00 N ATOM 625 CA LEU A 39 2.289 4.352 5.090 1.00 0.00 C ATOM 626 C LEU A 39 2.462 3.617 6.416 1.00 0.00 C ATOM 627 O LEU A 39 1.528 3.523 7.211 1.00 0.00 O ATOM 628 CB LEU A 39 1.956 3.354 3.976 1.00 0.00 C ATOM 629 CG LEU A 39 0.492 3.346 3.530 1.00 0.00 C ATOM 630 CD1 LEU A 39 0.061 4.732 3.075 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.282 2.327 2.419 1.00 0.00 C ATOM 0 H LEU A 39 3.914 4.846 3.860 1.00 0.00 H new ATOM 0 HA LEU A 39 1.465 5.057 5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.582 3.575 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.222 2.353 4.314 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.126 3.061 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.983 4.704 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.174 5.437 3.899 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.682 5.050 2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.764 2.333 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.911 2.583 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.548 1.334 2.781 1.00 0.00 H new ATOM 643 N GLN A 40 3.663 3.098 6.648 1.00 0.00 N ATOM 644 CA GLN A 40 3.957 2.371 7.877 1.00 0.00 C ATOM 645 C GLN A 40 4.092 3.323 9.061 1.00 0.00 C ATOM 646 O GLN A 40 3.665 3.011 10.173 1.00 0.00 O ATOM 647 CB GLN A 40 5.242 1.555 7.716 1.00 0.00 C ATOM 648 CG GLN A 40 5.029 0.212 7.035 1.00 0.00 C ATOM 649 CD GLN A 40 5.939 -0.869 7.583 1.00 0.00 C ATOM 650 OE1 GLN A 40 5.692 -1.419 8.656 1.00 0.00 O ATOM 651 NE2 GLN A 40 6.998 -1.182 6.845 1.00 0.00 N ATOM 0 H GLN A 40 4.448 3.167 6.001 1.00 0.00 H new ATOM 0 HA GLN A 40 3.125 1.695 8.074 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.961 2.136 7.139 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.682 1.389 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 40 3.990 -0.094 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.203 0.320 5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.164 -0.700 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 7.645 -1.904 7.162 1.00 0.00 H new ATOM 660 N ARG A 41 4.694 4.483 8.817 1.00 0.00 N ATOM 661 CA ARG A 41 4.888 5.477 9.866 1.00 0.00 C ATOM 662 C ARG A 41 3.551 5.977 10.406 1.00 0.00 C ATOM 663 O ARG A 41 3.345 6.040 11.617 1.00 0.00 O ATOM 664 CB ARG A 41 5.708 6.656 9.335 1.00 0.00 C ATOM 665 CG ARG A 41 6.658 7.248 10.362 1.00 0.00 C ATOM 666 CD ARG A 41 7.726 6.249 10.776 1.00 0.00 C ATOM 667 NE ARG A 41 9.054 6.856 10.825 1.00 0.00 N ATOM 668 CZ ARG A 41 10.188 6.160 10.809 1.00 0.00 C ATOM 669 NH1 ARG A 41 10.160 4.834 10.748 1.00 0.00 N ATOM 670 NH2 ARG A 41 11.354 6.790 10.854 1.00 0.00 N ATOM 0 H ARG A 41 5.055 4.757 7.903 1.00 0.00 H new ATOM 0 HA ARG A 41 5.431 5.000 10.682 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.282 6.328 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.028 7.435 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.132 8.139 9.949 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.095 7.564 11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.479 5.839 11.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.734 5.415 10.074 1.00 0.00 H new ATOM 0 HE ARG A 41 9.116 7.873 10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.266 4.344 10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.032 4.305 10.736 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.382 7.809 10.901 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.223 6.256 10.842 1.00 0.00 H new ATOM 684 N LEU A 42 2.648 6.333 9.499 1.00 0.00 N ATOM 685 CA LEU A 42 1.333 6.830 9.887 1.00 0.00 C ATOM 686 C LEU A 42 0.462 5.707 10.445 1.00 0.00 C ATOM 687 O LEU A 42 -0.345 5.927 11.348 1.00 0.00 O ATOM 688 CB LEU A 42 0.636 7.491 8.695 1.00 0.00 C ATOM 689 CG LEU A 42 0.629 6.669 7.402 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.727 6.016 7.190 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.992 7.547 6.212 1.00 0.00 C ATOM 0 H LEU A 42 2.802 6.287 8.492 1.00 0.00 H new ATOM 0 HA LEU A 42 1.476 7.574 10.671 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.395 7.709 8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.121 8.447 8.496 1.00 0.00 H new ATOM 0 HG LEU A 42 1.377 5.881 7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.712 5.437 6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.948 5.356 8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.495 6.786 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.983 6.948 5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.267 8.356 6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.987 7.967 6.360 1.00 0.00 H new ATOM 703 N TYR A 43 0.632 4.505 9.905 1.00 0.00 N ATOM 704 CA TYR A 43 -0.139 3.350 10.356 1.00 0.00 C ATOM 705 C TYR A 43 0.765 2.315 11.015 1.00 0.00 C ATOM 706 O TYR A 43 0.629 1.114 10.779 1.00 0.00 O ATOM 707 CB TYR A 43 -0.889 2.717 9.180 1.00 0.00 C ATOM 708 CG TYR A 43 -2.199 3.399 8.856 1.00 0.00 C ATOM 709 CD1 TYR A 43 -3.082 3.768 9.864 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.555 3.671 7.541 1.00 0.00 C ATOM 711 CE1 TYR A 43 -4.280 4.390 9.570 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.752 4.293 7.240 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.610 4.650 8.257 1.00 0.00 C ATOM 714 OH TYR A 43 -5.803 5.269 7.961 1.00 0.00 O ATOM 0 H TYR A 43 1.295 4.304 9.156 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.863 3.695 11.094 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.249 2.741 8.298 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.082 1.668 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.827 3.565 10.894 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.885 3.392 6.741 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.955 4.671 10.365 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.013 4.498 6.212 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.057 5.860 8.700 1.00 0.00 H new ATOM 724 N SER A 44 1.689 2.788 11.846 1.00 0.00 N ATOM 725 CA SER A 44 2.616 1.901 12.541 1.00 0.00 C ATOM 726 C SER A 44 1.863 0.922 13.436 1.00 0.00 C ATOM 727 O SER A 44 2.212 -0.255 13.515 1.00 0.00 O ATOM 728 CB SER A 44 3.605 2.717 13.376 1.00 0.00 C ATOM 729 OG SER A 44 4.040 3.867 12.671 1.00 0.00 O ATOM 0 H SER A 44 1.816 3.778 12.054 1.00 0.00 H new ATOM 0 HA SER A 44 3.167 1.331 11.792 1.00 0.00 H new ATOM 0 HB2 SER A 44 3.135 3.017 14.312 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.464 2.098 13.635 1.00 0.00 H new ATOM 0 HG SER A 44 3.376 4.581 12.768 1.00 0.00 H new ATOM 735 N VAL A 45 0.828 1.418 14.107 1.00 0.00 N ATOM 736 CA VAL A 45 0.026 0.586 14.996 1.00 0.00 C ATOM 737 C VAL A 45 -0.875 -0.356 14.204 1.00 0.00 C ATOM 738 O VAL A 45 -1.010 -1.532 14.542 1.00 0.00 O ATOM 739 CB VAL A 45 -0.844 1.442 15.936 1.00 0.00 C ATOM 740 CG1 VAL A 45 0.029 2.298 16.841 1.00 0.00 C ATOM 741 CG2 VAL A 45 -1.807 2.309 15.139 1.00 0.00 C ATOM 0 H VAL A 45 0.526 2.391 14.052 1.00 0.00 H new ATOM 0 HA VAL A 45 0.724 -0.000 15.594 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.432 0.771 16.563 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.603 2.895 17.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.671 1.654 17.443 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.646 2.959 16.232 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.411 2.905 15.823 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.242 2.971 14.483 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.458 1.673 14.540 1.00 0.00 H new ATOM 751 N ASP A 46 -1.487 0.167 13.147 1.00 0.00 N ATOM 752 CA ASP A 46 -2.374 -0.629 12.306 1.00 0.00 C ATOM 753 C ASP A 46 -1.593 -1.709 11.564 1.00 0.00 C ATOM 754 O ASP A 46 -2.050 -2.845 11.442 1.00 0.00 O ATOM 755 CB ASP A 46 -3.106 0.268 11.306 1.00 0.00 C ATOM 756 CG ASP A 46 -4.558 -0.131 11.128 1.00 0.00 C ATOM 757 OD1 ASP A 46 -4.815 -1.146 10.446 1.00 0.00 O ATOM 758 OD2 ASP A 46 -5.438 0.571 11.670 1.00 0.00 O ATOM 0 H ASP A 46 -1.385 1.138 12.852 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.108 -1.114 12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.055 1.303 11.645 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.599 0.223 10.342 1.00 0.00 H new ATOM 763 N TYR A 47 -0.414 -1.346 11.071 1.00 0.00 N ATOM 764 CA TYR A 47 0.430 -2.284 10.341 1.00 0.00 C ATOM 765 C TYR A 47 1.506 -2.868 11.254 1.00 0.00 C ATOM 766 O TYR A 47 1.365 -3.980 11.762 1.00 0.00 O ATOM 767 CB TYR A 47 1.075 -1.595 9.137 1.00 0.00 C ATOM 768 CG TYR A 47 0.364 -1.864 7.830 1.00 0.00 C ATOM 769 CD1 TYR A 47 -0.004 -3.155 7.470 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.059 -0.828 6.957 1.00 0.00 C ATOM 771 CE1 TYR A 47 -0.654 -3.405 6.277 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.591 -1.070 5.761 1.00 0.00 C ATOM 773 CZ TYR A 47 -0.946 -2.360 5.426 1.00 0.00 C ATOM 774 OH TYR A 47 -1.593 -2.605 4.237 1.00 0.00 O ATOM 0 H TYR A 47 -0.021 -0.409 11.164 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.198 -3.100 9.984 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.097 -0.520 9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.110 -1.925 9.052 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.222 -3.976 8.134 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.334 0.184 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.932 -4.414 6.012 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.820 -0.253 5.092 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.134 -1.825 3.992 1.00 0.00 H new ATOM 784 N GLY A 48 2.581 -2.110 11.460 1.00 0.00 N ATOM 785 CA GLY A 48 3.665 -2.568 12.313 1.00 0.00 C ATOM 786 C GLY A 48 4.100 -3.987 11.998 1.00 0.00 C ATOM 787 O GLY A 48 3.607 -4.941 12.599 1.00 0.00 O ATOM 0 H GLY A 48 2.720 -1.186 11.051 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.517 -1.898 12.201 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.350 -2.512 13.355 1.00 0.00 H new ATOM 791 N ARG A 49 5.022 -4.127 11.051 1.00 0.00 N ATOM 792 CA ARG A 49 5.517 -5.441 10.657 1.00 0.00 C ATOM 793 C ARG A 49 7.031 -5.422 10.473 1.00 0.00 C ATOM 794 O ARG A 49 7.585 -4.489 9.892 1.00 0.00 O ATOM 795 CB ARG A 49 4.839 -5.897 9.364 1.00 0.00 C ATOM 796 CG ARG A 49 3.337 -6.093 9.500 1.00 0.00 C ATOM 797 CD ARG A 49 2.955 -7.562 9.421 1.00 0.00 C ATOM 798 NE ARG A 49 1.517 -7.746 9.236 1.00 0.00 N ATOM 799 CZ ARG A 49 0.892 -8.910 9.395 1.00 0.00 C ATOM 800 NH1 ARG A 49 1.572 -9.995 9.740 1.00 0.00 N ATOM 801 NH2 ARG A 49 -0.419 -8.989 9.209 1.00 0.00 N ATOM 0 H ARG A 49 5.441 -3.348 10.543 1.00 0.00 H new ATOM 0 HA ARG A 49 5.277 -6.145 11.453 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.032 -5.161 8.584 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.291 -6.834 9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.000 -5.680 10.451 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.825 -5.540 8.713 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.489 -8.031 8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.271 -8.068 10.333 1.00 0.00 H new ATOM 0 HE ARG A 49 0.960 -6.934 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.580 -9.940 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.087 -10.884 9.860 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.948 -8.158 8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.899 -9.881 9.331 1.00 0.00 H new ATOM 815 N ARG A 50 7.694 -6.462 10.970 1.00 0.00 N ATOM 816 CA ARG A 50 9.144 -6.568 10.858 1.00 0.00 C ATOM 817 C ARG A 50 9.571 -6.711 9.399 1.00 0.00 C ATOM 818 O ARG A 50 10.701 -6.381 9.040 1.00 0.00 O ATOM 819 CB ARG A 50 9.651 -7.762 11.672 1.00 0.00 C ATOM 820 CG ARG A 50 10.768 -7.408 12.643 1.00 0.00 C ATOM 821 CD ARG A 50 12.054 -7.050 11.914 1.00 0.00 C ATOM 822 NE ARG A 50 13.099 -8.050 12.123 1.00 0.00 N ATOM 823 CZ ARG A 50 13.294 -9.103 11.332 1.00 0.00 C ATOM 824 NH1 ARG A 50 12.513 -9.309 10.278 1.00 0.00 N ATOM 825 NH2 ARG A 50 14.272 -9.958 11.598 1.00 0.00 N ATOM 0 H ARG A 50 7.250 -7.243 11.454 1.00 0.00 H new ATOM 0 HA ARG A 50 9.583 -5.653 11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 50 8.818 -8.190 12.230 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.006 -8.533 10.988 1.00 0.00 H new ATOM 0 HG2 ARG A 50 10.457 -6.569 13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 50 10.950 -8.250 13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 50 11.851 -6.955 10.847 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.408 -6.078 12.259 1.00 0.00 H new ATOM 0 HE ARG A 50 13.718 -7.934 12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.756 -8.658 10.069 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.670 -10.118 9.677 1.00 0.00 H new ATOM 0 HH21 ARG A 50 14.874 -9.809 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 50 14.422 -10.765 10.993 1.00 0.00 H new ATOM 839 N LYS A 51 8.663 -7.208 8.565 1.00 0.00 N ATOM 840 CA LYS A 51 8.947 -7.398 7.147 1.00 0.00 C ATOM 841 C LYS A 51 9.228 -6.063 6.462 1.00 0.00 C ATOM 842 O LYS A 51 8.361 -5.503 5.792 1.00 0.00 O ATOM 843 CB LYS A 51 7.771 -8.096 6.461 1.00 0.00 C ATOM 844 CG LYS A 51 7.740 -9.599 6.689 1.00 0.00 C ATOM 845 CD LYS A 51 6.604 -10.256 5.922 1.00 0.00 C ATOM 846 CE LYS A 51 5.261 -10.006 6.589 1.00 0.00 C ATOM 847 NZ LYS A 51 4.458 -8.986 5.859 1.00 0.00 N ATOM 0 H LYS A 51 7.723 -7.487 8.847 1.00 0.00 H new ATOM 0 HA LYS A 51 9.836 -8.023 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.839 -7.662 6.824 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.817 -7.900 5.390 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.690 -10.035 6.379 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.628 -9.804 7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.582 -9.871 4.903 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.783 -11.329 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.702 -10.940 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.422 -9.675 7.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.613 -8.746 6.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.032 -8.131 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.167 -9.368 4.937 1.00 0.00 H new ATOM 861 N ARG A 52 10.446 -5.562 6.634 1.00 0.00 N ATOM 862 CA ARG A 52 10.846 -4.295 6.032 1.00 0.00 C ATOM 863 C ARG A 52 10.905 -4.410 4.511 1.00 0.00 C ATOM 864 O ARG A 52 10.303 -3.610 3.794 1.00 0.00 O ATOM 865 CB ARG A 52 12.205 -3.853 6.578 1.00 0.00 C ATOM 866 CG ARG A 52 12.246 -2.394 7.000 1.00 0.00 C ATOM 867 CD ARG A 52 12.330 -1.465 5.799 1.00 0.00 C ATOM 868 NE ARG A 52 13.712 -1.133 5.459 1.00 0.00 N ATOM 869 CZ ARG A 52 14.441 -1.794 4.560 1.00 0.00 C ATOM 870 NH1 ARG A 52 13.927 -2.827 3.902 1.00 0.00 N ATOM 871 NH2 ARG A 52 15.690 -1.421 4.320 1.00 0.00 N ATOM 0 H ARG A 52 11.175 -6.014 7.186 1.00 0.00 H new ATOM 0 HA ARG A 52 10.099 -3.545 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.464 -4.477 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.966 -4.024 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 52 11.355 -2.158 7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 52 13.105 -2.227 7.650 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.849 -1.936 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.779 -0.549 6.010 1.00 0.00 H new ATOM 0 HE ARG A 52 14.146 -0.345 5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 52 12.967 -3.120 4.083 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.492 -3.327 3.216 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.091 -0.630 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.250 -1.925 3.632 1.00 0.00 H new ATOM 885 N ASN A 53 11.635 -5.409 4.028 1.00 0.00 N ATOM 886 CA ASN A 53 11.776 -5.630 2.593 1.00 0.00 C ATOM 887 C ASN A 53 10.471 -6.135 1.986 1.00 0.00 C ATOM 888 O ASN A 53 10.020 -5.633 0.955 1.00 0.00 O ATOM 889 CB ASN A 53 12.901 -6.630 2.316 1.00 0.00 C ATOM 890 CG ASN A 53 12.696 -7.945 3.042 1.00 0.00 C ATOM 891 OD1 ASN A 53 12.060 -8.863 2.523 1.00 0.00 O ATOM 892 ND2 ASN A 53 13.235 -8.044 4.252 1.00 0.00 N ATOM 0 H ASN A 53 12.139 -6.079 4.609 1.00 0.00 H new ATOM 0 HA ASN A 53 12.025 -4.676 2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.963 -6.816 1.244 1.00 0.00 H new ATOM 0 HB3 ASN A 53 13.853 -6.195 2.619 1.00 0.00 H new ATOM 0 HD21 ASN A 53 13.130 -8.905 4.788 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.754 -7.259 4.645 1.00 0.00 H new ATOM 899 N ALA A 54 9.869 -7.129 2.630 1.00 0.00 N ATOM 900 CA ALA A 54 8.615 -7.702 2.152 1.00 0.00 C ATOM 901 C ALA A 54 7.539 -6.630 2.008 1.00 0.00 C ATOM 902 O ALA A 54 6.860 -6.551 0.984 1.00 0.00 O ATOM 903 CB ALA A 54 8.146 -8.805 3.090 1.00 0.00 C ATOM 0 H ALA A 54 10.229 -7.555 3.484 1.00 0.00 H new ATOM 0 HA ALA A 54 8.794 -8.132 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.210 -9.223 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.901 -9.590 3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.991 -8.393 4.087 1.00 0.00 H new ATOM 909 N PHE A 55 7.389 -5.807 3.040 1.00 0.00 N ATOM 910 CA PHE A 55 6.396 -4.739 3.027 1.00 0.00 C ATOM 911 C PHE A 55 6.657 -3.769 1.880 1.00 0.00 C ATOM 912 O PHE A 55 5.725 -3.294 1.232 1.00 0.00 O ATOM 913 CB PHE A 55 6.402 -3.988 4.359 1.00 0.00 C ATOM 914 CG PHE A 55 5.246 -3.041 4.518 1.00 0.00 C ATOM 915 CD1 PHE A 55 5.271 -1.791 3.921 1.00 0.00 C ATOM 916 CD2 PHE A 55 4.135 -3.403 5.263 1.00 0.00 C ATOM 917 CE1 PHE A 55 4.209 -0.918 4.065 1.00 0.00 C ATOM 918 CE2 PHE A 55 3.070 -2.535 5.411 1.00 0.00 C ATOM 919 CZ PHE A 55 3.107 -1.291 4.811 1.00 0.00 C ATOM 0 H PHE A 55 7.942 -5.859 3.896 1.00 0.00 H new ATOM 0 HA PHE A 55 5.415 -5.192 2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.384 -4.711 5.175 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.334 -3.430 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 55 6.130 -1.495 3.337 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.101 -4.375 5.733 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.240 0.054 3.595 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.210 -2.829 5.995 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.276 -0.611 4.925 1.00 0.00 H new ATOM 929 N ARG A 56 7.932 -3.480 1.633 1.00 0.00 N ATOM 930 CA ARG A 56 8.312 -2.567 0.561 1.00 0.00 C ATOM 931 C ARG A 56 7.880 -3.115 -0.794 1.00 0.00 C ATOM 932 O ARG A 56 7.347 -2.383 -1.628 1.00 0.00 O ATOM 933 CB ARG A 56 9.823 -2.332 0.572 1.00 0.00 C ATOM 934 CG ARG A 56 10.233 -0.997 -0.030 1.00 0.00 C ATOM 935 CD ARG A 56 11.630 -0.591 0.412 1.00 0.00 C ATOM 936 NE ARG A 56 11.767 0.859 0.526 1.00 0.00 N ATOM 937 CZ ARG A 56 12.934 1.498 0.502 1.00 0.00 C ATOM 938 NH1 ARG A 56 14.068 0.820 0.375 1.00 0.00 N ATOM 939 NH2 ARG A 56 12.969 2.819 0.608 1.00 0.00 N ATOM 0 H ARG A 56 8.717 -3.864 2.159 1.00 0.00 H new ATOM 0 HA ARG A 56 7.805 -1.617 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.184 -2.384 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.312 -3.136 0.021 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.199 -1.061 -1.118 1.00 0.00 H new ATOM 0 HG3 ARG A 56 9.519 -0.229 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.855 -1.053 1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 56 12.361 -0.969 -0.303 1.00 0.00 H new ATOM 0 HE ARG A 56 10.918 1.414 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 56 14.048 -0.197 0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.959 1.316 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 56 12.101 3.346 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 56 13.864 3.309 0.590 1.00 0.00 H new ATOM 953 N ILE A 57 8.110 -4.406 -1.007 1.00 0.00 N ATOM 954 CA ILE A 57 7.739 -5.049 -2.262 1.00 0.00 C ATOM 955 C ILE A 57 6.235 -4.954 -2.493 1.00 0.00 C ATOM 956 O ILE A 57 5.782 -4.717 -3.613 1.00 0.00 O ATOM 957 CB ILE A 57 8.164 -6.532 -2.287 1.00 0.00 C ATOM 958 CG1 ILE A 57 9.658 -6.664 -1.986 1.00 0.00 C ATOM 959 CG2 ILE A 57 7.834 -7.162 -3.635 1.00 0.00 C ATOM 960 CD1 ILE A 57 10.046 -8.016 -1.431 1.00 0.00 C ATOM 0 H ILE A 57 8.551 -5.027 -0.328 1.00 0.00 H new ATOM 0 HA ILE A 57 8.264 -4.522 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 57 7.607 -7.063 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.222 -6.480 -2.900 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.946 -5.891 -1.273 1.00 0.00 H new ATOM 0 HG21 ILE A 57 8.141 -8.208 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.760 -7.100 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.364 -6.630 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 57 11.119 -8.037 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.509 -8.194 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.790 -8.792 -2.152 1.00 0.00 H new ATOM 972 N GLN A 58 5.465 -5.135 -1.424 1.00 0.00 N ATOM 973 CA GLN A 58 4.012 -5.063 -1.513 1.00 0.00 C ATOM 974 C GLN A 58 3.573 -3.683 -1.990 1.00 0.00 C ATOM 975 O GLN A 58 2.727 -3.561 -2.875 1.00 0.00 O ATOM 976 CB GLN A 58 3.380 -5.374 -0.154 1.00 0.00 C ATOM 977 CG GLN A 58 2.949 -6.824 -0.001 1.00 0.00 C ATOM 978 CD GLN A 58 3.659 -7.530 1.137 1.00 0.00 C ATOM 979 OE1 GLN A 58 4.336 -8.538 0.933 1.00 0.00 O ATOM 980 NE2 GLN A 58 3.508 -7.002 2.347 1.00 0.00 N ATOM 0 H GLN A 58 5.822 -5.332 -0.489 1.00 0.00 H new ATOM 0 HA GLN A 58 3.675 -5.805 -2.237 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.093 -5.131 0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.513 -4.729 -0.009 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.873 -6.863 0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.145 -7.357 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.938 -6.165 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.962 -7.433 3.152 1.00 0.00 H new ATOM 989 N VAL A 59 4.162 -2.646 -1.402 1.00 0.00 N ATOM 990 CA VAL A 59 3.837 -1.275 -1.772 1.00 0.00 C ATOM 991 C VAL A 59 4.278 -0.980 -3.202 1.00 0.00 C ATOM 992 O VAL A 59 3.615 -0.236 -3.925 1.00 0.00 O ATOM 993 CB VAL A 59 4.501 -0.261 -0.817 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.069 1.158 -1.156 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.170 -0.594 0.629 1.00 0.00 C ATOM 0 H VAL A 59 4.866 -2.730 -0.668 1.00 0.00 H new ATOM 0 HA VAL A 59 2.755 -1.171 -1.698 1.00 0.00 H new ATOM 0 HB VAL A 59 5.582 -0.326 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.548 1.858 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.363 1.393 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.986 1.241 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.647 0.132 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.090 -0.559 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.536 -1.593 0.865 1.00 0.00 H new ATOM 1005 N GLU A 60 5.397 -1.572 -3.605 1.00 0.00 N ATOM 1006 CA GLU A 60 5.922 -1.377 -4.951 1.00 0.00 C ATOM 1007 C GLU A 60 4.915 -1.849 -5.993 1.00 0.00 C ATOM 1008 O GLU A 60 4.607 -1.131 -6.944 1.00 0.00 O ATOM 1009 CB GLU A 60 7.244 -2.129 -5.121 1.00 0.00 C ATOM 1010 CG GLU A 60 8.327 -1.685 -4.152 1.00 0.00 C ATOM 1011 CD GLU A 60 9.591 -1.232 -4.855 1.00 0.00 C ATOM 1012 OE1 GLU A 60 9.492 -0.759 -6.007 1.00 0.00 O ATOM 1013 OE2 GLU A 60 10.680 -1.350 -4.254 1.00 0.00 O ATOM 0 H GLU A 60 5.958 -2.191 -3.019 1.00 0.00 H new ATOM 0 HA GLU A 60 6.101 -0.312 -5.097 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.065 -3.196 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.602 -1.991 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.946 -0.870 -3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.566 -2.508 -3.478 1.00 0.00 H new ATOM 1020 N LYS A 61 4.403 -3.060 -5.803 1.00 0.00 N ATOM 1021 CA LYS A 61 3.424 -3.628 -6.722 1.00 0.00 C ATOM 1022 C LYS A 61 2.073 -2.938 -6.563 1.00 0.00 C ATOM 1023 O LYS A 61 1.313 -2.809 -7.522 1.00 0.00 O ATOM 1024 CB LYS A 61 3.279 -5.133 -6.479 1.00 0.00 C ATOM 1025 CG LYS A 61 4.104 -5.985 -7.430 1.00 0.00 C ATOM 1026 CD LYS A 61 5.586 -5.652 -7.335 1.00 0.00 C ATOM 1027 CE LYS A 61 6.428 -6.902 -7.135 1.00 0.00 C ATOM 1028 NZ LYS A 61 7.876 -6.582 -7.007 1.00 0.00 N ATOM 0 H LYS A 61 4.650 -3.667 -5.021 1.00 0.00 H new ATOM 0 HA LYS A 61 3.776 -3.467 -7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.575 -5.357 -5.454 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.229 -5.409 -6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.952 -7.040 -7.200 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.760 -5.828 -8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.904 -5.140 -8.243 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.753 -4.964 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.092 -7.427 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.279 -7.579 -7.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.346 -7.319 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.308 -6.542 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.988 -5.661 -6.536 1.00 0.00 H new ATOM 1042 N VAL A 62 1.784 -2.493 -5.344 1.00 0.00 N ATOM 1043 CA VAL A 62 0.530 -1.812 -5.055 1.00 0.00 C ATOM 1044 C VAL A 62 0.508 -0.425 -5.693 1.00 0.00 C ATOM 1045 O VAL A 62 -0.547 0.075 -6.080 1.00 0.00 O ATOM 1046 CB VAL A 62 0.287 -1.693 -3.534 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.744 -0.615 -3.224 1.00 0.00 C ATOM 1048 CG2 VAL A 62 -0.151 -3.035 -2.963 1.00 0.00 C ATOM 0 H VAL A 62 2.404 -2.593 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.272 -2.414 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 62 1.225 -1.402 -3.062 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.894 -0.554 -2.146 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.388 0.346 -3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.688 -0.864 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.319 -2.937 -1.890 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.075 -3.352 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.626 -3.778 -3.142 1.00 0.00 H new ATOM 1058 N PHE A 63 1.678 0.194 -5.798 1.00 0.00 N ATOM 1059 CA PHE A 63 1.785 1.520 -6.391 1.00 0.00 C ATOM 1060 C PHE A 63 1.554 1.458 -7.897 1.00 0.00 C ATOM 1061 O PHE A 63 0.872 2.307 -8.469 1.00 0.00 O ATOM 1062 CB PHE A 63 3.161 2.122 -6.098 1.00 0.00 C ATOM 1063 CG PHE A 63 3.327 3.521 -6.619 1.00 0.00 C ATOM 1064 CD1 PHE A 63 2.842 4.604 -5.902 1.00 0.00 C ATOM 1065 CD2 PHE A 63 3.970 3.753 -7.824 1.00 0.00 C ATOM 1066 CE1 PHE A 63 2.994 5.892 -6.378 1.00 0.00 C ATOM 1067 CE2 PHE A 63 4.125 5.040 -8.306 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.637 6.111 -7.581 1.00 0.00 C ATOM 0 H PHE A 63 2.564 -0.201 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 63 1.017 2.155 -5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.327 2.122 -5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.928 1.485 -6.538 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.340 4.439 -4.960 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.354 2.920 -8.393 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.611 6.727 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.627 5.208 -9.248 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.758 7.117 -7.954 1.00 0.00 H new ATOM 1078 N SER A 64 2.132 0.444 -8.534 1.00 0.00 N ATOM 1079 CA SER A 64 1.994 0.264 -9.974 1.00 0.00 C ATOM 1080 C SER A 64 0.610 -0.264 -10.341 1.00 0.00 C ATOM 1081 O SER A 64 0.091 0.030 -11.418 1.00 0.00 O ATOM 1082 CB SER A 64 3.069 -0.694 -10.491 1.00 0.00 C ATOM 1083 OG SER A 64 2.970 -0.860 -11.895 1.00 0.00 O ATOM 0 H SER A 64 2.701 -0.266 -8.074 1.00 0.00 H new ATOM 0 HA SER A 64 2.120 1.239 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.057 -0.310 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.966 -1.661 -9.999 1.00 0.00 H new ATOM 0 HG SER A 64 3.668 -1.475 -12.202 1.00 0.00 H new ATOM 1089 N ILE A 65 0.023 -1.058 -9.449 1.00 0.00 N ATOM 1090 CA ILE A 65 -1.293 -1.639 -9.697 1.00 0.00 C ATOM 1091 C ILE A 65 -2.411 -0.615 -9.511 1.00 0.00 C ATOM 1092 O ILE A 65 -3.354 -0.569 -10.297 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.549 -2.862 -8.788 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.692 -3.710 -9.349 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.853 -2.432 -7.361 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.883 -5.023 -8.624 1.00 0.00 C ATOM 0 H ILE A 65 0.436 -1.313 -8.552 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.298 -1.966 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.642 -3.466 -8.768 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.618 -3.137 -9.296 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.501 -3.911 -10.403 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.029 -3.314 -6.745 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.007 -1.873 -6.961 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.742 -1.801 -7.353 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.710 -5.571 -9.076 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.971 -5.616 -8.698 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.106 -4.830 -7.575 1.00 0.00 H new ATOM 1108 N ILE A 66 -2.304 0.203 -8.469 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.318 1.219 -8.198 1.00 0.00 C ATOM 1110 C ILE A 66 -3.490 2.159 -9.388 1.00 0.00 C ATOM 1111 O ILE A 66 -4.593 2.628 -9.664 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.973 2.057 -6.951 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.593 2.696 -7.099 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -3.034 1.202 -5.695 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -1.217 3.585 -5.936 1.00 0.00 C ATOM 0 H ILE A 66 -1.532 0.184 -7.802 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.249 0.682 -8.017 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.712 2.852 -6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.845 1.909 -7.202 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.568 3.282 -8.018 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.787 1.813 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.039 0.796 -5.579 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.319 0.383 -5.777 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.226 4.006 -6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.944 4.392 -5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.210 2.999 -5.017 1.00 0.00 H new ATOM 1127 N SER A 67 -2.392 2.434 -10.082 1.00 0.00 N ATOM 1128 CA SER A 67 -2.419 3.328 -11.235 1.00 0.00 C ATOM 1129 C SER A 67 -3.042 2.652 -12.454 1.00 0.00 C ATOM 1130 O SER A 67 -3.906 3.222 -13.117 1.00 0.00 O ATOM 1131 CB SER A 67 -1.003 3.799 -11.570 1.00 0.00 C ATOM 1132 OG SER A 67 -0.053 2.780 -11.317 1.00 0.00 O ATOM 0 H SER A 67 -1.471 2.051 -9.867 1.00 0.00 H new ATOM 0 HA SER A 67 -3.036 4.188 -10.974 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.953 4.095 -12.618 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.760 4.682 -10.978 1.00 0.00 H new ATOM 0 HG SER A 67 -0.430 1.911 -11.569 1.00 0.00 H new ATOM 1138 N SER A 68 -2.589 1.439 -12.755 1.00 0.00 N ATOM 1139 CA SER A 68 -3.097 0.699 -13.905 1.00 0.00 C ATOM 1140 C SER A 68 -4.501 0.158 -13.650 1.00 0.00 C ATOM 1141 O SER A 68 -5.347 0.155 -14.546 1.00 0.00 O ATOM 1142 CB SER A 68 -2.153 -0.454 -14.250 1.00 0.00 C ATOM 1143 OG SER A 68 -1.161 -0.042 -15.176 1.00 0.00 O ATOM 0 H SER A 68 -1.873 0.948 -12.220 1.00 0.00 H new ATOM 0 HA SER A 68 -3.149 1.391 -14.745 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.676 -0.822 -13.341 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.724 -1.283 -14.669 1.00 0.00 H new ATOM 0 HG SER A 68 -0.569 -0.796 -15.379 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.741 -0.311 -12.432 1.00 0.00 N ATOM 1150 CA GLU A 69 -6.039 -0.869 -12.067 1.00 0.00 C ATOM 1151 C GLU A 69 -7.088 0.224 -11.869 1.00 0.00 C ATOM 1152 O GLU A 69 -8.195 0.135 -12.402 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.915 -1.705 -10.792 1.00 0.00 C ATOM 1154 CG GLU A 69 -6.883 -2.875 -10.736 1.00 0.00 C ATOM 1155 CD GLU A 69 -8.286 -2.453 -10.346 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -8.457 -1.927 -9.226 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -9.212 -2.648 -11.160 1.00 0.00 O ATOM 0 H GLU A 69 -4.053 -0.316 -11.679 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.367 -1.505 -12.889 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.896 -2.083 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.084 -1.062 -9.928 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.912 -3.364 -11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.517 -3.611 -10.020 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.742 1.246 -11.092 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.669 2.342 -10.819 1.00 0.00 C ATOM 1166 C LYS A 70 -7.621 3.401 -11.918 1.00 0.00 C ATOM 1167 O LYS A 70 -8.659 3.837 -12.414 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.354 2.985 -9.466 1.00 0.00 C ATOM 1169 CG LYS A 70 -6.981 1.984 -8.383 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.164 1.106 -8.001 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.567 1.310 -6.550 1.00 0.00 C ATOM 1172 NZ LYS A 70 -9.706 0.433 -6.162 1.00 0.00 N ATOM 0 H LYS A 70 -5.831 1.339 -10.642 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.675 1.923 -10.793 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.534 3.692 -9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.221 3.558 -9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.160 1.358 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.623 2.517 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.010 1.333 -8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.909 0.059 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.714 1.104 -5.904 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.842 2.353 -6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.951 0.602 -5.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.529 0.647 -6.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.436 -0.563 -6.288 1.00 0.00 H new ATOM 1186 N GLU A 71 -6.413 3.814 -12.290 1.00 0.00 N ATOM 1187 CA GLU A 71 -6.238 4.828 -13.326 1.00 0.00 C ATOM 1188 C GLU A 71 -6.789 6.174 -12.865 1.00 0.00 C ATOM 1189 O GLU A 71 -7.843 6.616 -13.321 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.926 4.393 -14.624 1.00 0.00 C ATOM 1191 CG GLU A 71 -5.966 3.844 -15.668 1.00 0.00 C ATOM 1192 CD GLU A 71 -6.273 4.347 -17.065 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -6.157 5.570 -17.295 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -6.627 3.518 -17.929 1.00 0.00 O ATOM 0 H GLU A 71 -5.542 3.463 -11.891 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.170 4.938 -13.515 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.672 3.632 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.460 5.245 -15.046 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.947 4.123 -15.401 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.011 2.755 -15.660 1.00 0.00 H new ATOM 1201 N LEU A 72 -6.065 6.822 -11.956 1.00 0.00 N ATOM 1202 CA LEU A 72 -6.479 8.118 -11.430 1.00 0.00 C ATOM 1203 C LEU A 72 -5.641 9.240 -12.034 1.00 0.00 C ATOM 1204 O LEU A 72 -4.902 9.028 -12.995 1.00 0.00 O ATOM 1205 CB LEU A 72 -6.355 8.135 -9.905 1.00 0.00 C ATOM 1206 CG LEU A 72 -7.458 8.904 -9.173 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -8.451 7.940 -8.539 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -6.861 9.825 -8.120 1.00 0.00 C ATOM 0 H LEU A 72 -5.189 6.470 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.522 8.280 -11.704 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.350 7.106 -9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.392 8.570 -9.639 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.990 9.516 -9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.228 8.505 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.905 7.323 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.932 7.301 -7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.661 10.363 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.302 9.234 -7.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.191 10.539 -8.599 1.00 0.00 H new ATOM 1220 N LYS A 73 -5.759 10.435 -11.465 1.00 0.00 N ATOM 1221 CA LYS A 73 -5.012 11.589 -11.947 1.00 0.00 C ATOM 1222 C LYS A 73 -5.025 12.716 -10.919 1.00 0.00 C ATOM 1223 O LYS A 73 -3.996 13.334 -10.646 1.00 0.00 O ATOM 1224 CB LYS A 73 -5.595 12.084 -13.272 1.00 0.00 C ATOM 1225 CG LYS A 73 -4.678 13.034 -14.024 1.00 0.00 C ATOM 1226 CD LYS A 73 -3.366 12.362 -14.400 1.00 0.00 C ATOM 1227 CE LYS A 73 -2.951 12.706 -15.822 1.00 0.00 C ATOM 1228 NZ LYS A 73 -2.031 13.876 -15.866 1.00 0.00 N ATOM 0 H LYS A 73 -6.366 10.629 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 73 -3.979 11.280 -12.106 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.813 11.225 -13.906 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.543 12.586 -13.077 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.179 13.387 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.476 13.910 -13.408 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.585 12.673 -13.707 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.468 11.281 -14.301 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.463 11.844 -16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.839 12.920 -16.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.772 14.077 -16.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.505 14.706 -15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.172 13.663 -15.320 1.00 0.00 H new ATOM 1242 N ASN A 74 -6.198 12.978 -10.353 1.00 0.00 N ATOM 1243 CA ASN A 74 -6.346 14.031 -9.354 1.00 0.00 C ATOM 1244 C ASN A 74 -5.680 13.634 -8.041 1.00 0.00 C ATOM 1245 O ASN A 74 -5.722 14.442 -7.089 1.00 0.00 O ATOM 1246 CB ASN A 74 -7.828 14.335 -9.119 1.00 0.00 C ATOM 1247 CG ASN A 74 -8.100 15.821 -8.988 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -7.409 16.644 -9.587 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -9.111 16.171 -8.201 1.00 0.00 N ATOM 1250 OXT ASN A 74 -5.122 12.518 -7.975 1.00 0.00 O ATOM 0 H ASN A 74 -7.060 12.476 -10.568 1.00 0.00 H new ATOM 0 HA ASN A 74 -5.854 14.928 -9.731 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.414 13.933 -9.945 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.161 13.826 -8.214 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.341 17.157 -8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.657 15.454 -7.724 1.00 0.00 H new TER 1257 ASN A 74