USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 538 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 21 LYS NZ :NH3+ 152:sc= 3.61 (180deg=1.22!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 30 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.06) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0394 USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0.553 (180deg=0.482) USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 1.16 (180deg=0.0167) USER MOD Single : A 41 GLN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 147:sc= 0.442! (180deg=-4.03!) USER MOD Single : A 47 GLN : amide:sc= -5.59! C(o=-5.6!,f=-4.2!) USER MOD Single : A 55 THR OG1 : rot 93:sc= 0.332 USER MOD Single : A 58 THR OG1 : rot -99:sc= -0.216 USER MOD Single : A 59 MET CE :methyl 142:sc= -2.21 (180deg=-4.39!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0.972 (180deg=-0.032) USER MOD Single : A 75 ASN : amide:sc= -2.58 K(o=-2.6,f=-4.9!) USER MOD Single : A 78 GLN : amide:sc= 1.13 K(o=1.1,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 19 N LYS A 21 -8.788 -31.671 5.637 1.00 0.00 N ATOM 20 CA LYS A 21 -9.406 -30.934 6.783 1.00 0.00 C ATOM 21 C LYS A 21 -8.327 -29.899 7.179 1.00 0.00 C ATOM 22 O LYS A 21 -7.867 -29.799 8.296 1.00 0.00 O ATOM 23 CB LYS A 21 -9.700 -32.006 7.886 1.00 0.00 C ATOM 24 CG LYS A 21 -10.903 -31.652 8.812 1.00 0.00 C ATOM 25 CD LYS A 21 -10.786 -30.219 9.414 1.00 0.00 C ATOM 26 CE LYS A 21 -11.896 -29.997 10.451 1.00 0.00 C ATOM 27 NZ LYS A 21 -11.840 -28.580 10.918 1.00 0.00 N ATOM 0 HA LYS A 21 -10.345 -30.417 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.896 -32.964 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.808 -32.135 8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.830 -31.730 8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.962 -32.380 9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.809 -30.089 9.880 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.862 -29.475 8.621 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.871 -30.212 10.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.768 -30.677 11.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.789 -28.275 11.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.184 -28.505 11.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.509 -27.972 10.142 1.00 0.00 H new ATOM 41 N THR A 22 -7.949 -29.114 6.202 1.00 0.00 N ATOM 42 CA THR A 22 -6.874 -28.058 6.367 1.00 0.00 C ATOM 43 C THR A 22 -7.540 -26.696 6.485 1.00 0.00 C ATOM 44 O THR A 22 -7.045 -25.677 6.039 1.00 0.00 O ATOM 45 CB THR A 22 -5.938 -28.072 5.132 1.00 0.00 C ATOM 46 OG1 THR A 22 -6.823 -27.799 4.061 1.00 0.00 O ATOM 47 CG2 THR A 22 -5.475 -29.474 4.787 1.00 0.00 C ATOM 0 H THR A 22 -8.347 -29.155 5.264 1.00 0.00 H new ATOM 0 HA THR A 22 -6.287 -28.263 7.262 1.00 0.00 H new ATOM 0 HB THR A 22 -5.090 -27.409 5.304 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.322 -27.784 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.821 -29.437 3.916 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.930 -29.895 5.632 1.00 0.00 H new ATOM 0 HG23 THR A 22 -6.340 -30.099 4.565 1.00 0.00 H new ATOM 55 N GLU A 23 -8.678 -26.783 7.129 1.00 0.00 N ATOM 56 CA GLU A 23 -9.564 -25.581 7.313 1.00 0.00 C ATOM 57 C GLU A 23 -10.499 -25.704 8.580 1.00 0.00 C ATOM 58 O GLU A 23 -10.850 -26.805 8.975 1.00 0.00 O ATOM 59 CB GLU A 23 -10.275 -25.514 5.924 1.00 0.00 C ATOM 60 CG GLU A 23 -11.821 -25.502 5.935 1.00 0.00 C ATOM 61 CD GLU A 23 -12.187 -24.043 6.098 1.00 0.00 C ATOM 62 OE1 GLU A 23 -11.919 -23.540 7.165 1.00 0.00 O ATOM 63 OE2 GLU A 23 -12.690 -23.424 5.183 1.00 0.00 O ATOM 0 H GLU A 23 -9.039 -27.644 7.541 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.051 -24.648 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -9.931 -24.617 5.409 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.946 -26.368 5.332 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -12.228 -25.912 5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.217 -26.104 6.753 1.00 0.00 H new ATOM 70 N TRP A 24 -10.881 -24.597 9.187 1.00 0.00 N ATOM 71 CA TRP A 24 -11.786 -24.617 10.404 1.00 0.00 C ATOM 72 C TRP A 24 -12.907 -23.550 10.518 1.00 0.00 C ATOM 73 O TRP A 24 -12.767 -22.542 11.189 1.00 0.00 O ATOM 74 CB TRP A 24 -10.891 -24.552 11.672 1.00 0.00 C ATOM 75 CG TRP A 24 -10.146 -25.820 11.873 1.00 0.00 C ATOM 76 CD1 TRP A 24 -10.633 -26.695 12.743 1.00 0.00 C ATOM 77 CD2 TRP A 24 -9.016 -26.262 11.338 1.00 0.00 C ATOM 78 NE1 TRP A 24 -9.743 -27.666 12.703 1.00 0.00 N ATOM 79 CE2 TRP A 24 -8.725 -27.490 11.878 1.00 0.00 C ATOM 80 CE3 TRP A 24 -8.193 -25.687 10.415 1.00 0.00 C ATOM 81 CZ2 TRP A 24 -7.592 -28.162 11.501 1.00 0.00 C ATOM 82 CZ3 TRP A 24 -7.064 -26.345 10.039 1.00 0.00 C ATOM 83 CH2 TRP A 24 -6.746 -27.587 10.571 1.00 0.00 C ATOM 0 H TRP A 24 -10.602 -23.662 8.889 1.00 0.00 H new ATOM 0 HA TRP A 24 -12.348 -25.544 10.295 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -10.187 -23.725 11.581 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -11.510 -24.349 12.546 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -11.533 -26.628 13.336 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -9.834 -28.505 13.276 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -8.434 -24.724 9.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -7.363 -29.129 11.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.403 -25.893 9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.847 -28.099 10.262 1.00 0.00 H new ATOM 94 N PRO A 25 -14.007 -23.791 9.842 1.00 0.00 N ATOM 95 CA PRO A 25 -15.201 -22.908 9.901 1.00 0.00 C ATOM 96 C PRO A 25 -16.060 -23.196 11.151 1.00 0.00 C ATOM 97 O PRO A 25 -16.623 -22.293 11.739 1.00 0.00 O ATOM 98 CB PRO A 25 -15.854 -23.207 8.567 1.00 0.00 C ATOM 99 CG PRO A 25 -15.662 -24.727 8.425 1.00 0.00 C ATOM 100 CD PRO A 25 -14.213 -24.930 8.906 1.00 0.00 C ATOM 0 HA PRO A 25 -15.001 -21.843 10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.908 -22.931 8.562 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -15.378 -22.662 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.373 -25.284 9.035 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.797 -25.058 7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -14.084 -25.891 9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.505 -24.904 8.077 1.00 0.00 H new ATOM 108 N GLU A 26 -16.137 -24.429 11.574 1.00 0.00 N ATOM 109 CA GLU A 26 -16.986 -24.792 12.751 1.00 0.00 C ATOM 110 C GLU A 26 -16.589 -23.982 14.005 1.00 0.00 C ATOM 111 O GLU A 26 -17.337 -23.900 14.960 1.00 0.00 O ATOM 112 CB GLU A 26 -16.828 -26.321 12.970 1.00 0.00 C ATOM 113 CG GLU A 26 -15.373 -26.732 13.367 1.00 0.00 C ATOM 114 CD GLU A 26 -14.329 -26.286 12.390 1.00 0.00 C ATOM 115 OE1 GLU A 26 -13.869 -25.188 12.598 1.00 0.00 O ATOM 116 OE2 GLU A 26 -14.056 -27.050 11.491 1.00 0.00 O ATOM 0 H GLU A 26 -15.641 -25.213 11.149 1.00 0.00 H new ATOM 0 HA GLU A 26 -18.031 -24.546 12.564 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.517 -26.644 13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -17.112 -26.845 12.057 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -15.142 -26.314 14.347 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -15.326 -27.817 13.464 1.00 0.00 H new ATOM 123 N LEU A 27 -15.410 -23.409 13.973 1.00 0.00 N ATOM 124 CA LEU A 27 -14.902 -22.583 15.100 1.00 0.00 C ATOM 125 C LEU A 27 -14.842 -21.039 14.917 1.00 0.00 C ATOM 126 O LEU A 27 -14.172 -20.339 15.657 1.00 0.00 O ATOM 127 CB LEU A 27 -13.527 -23.237 15.414 1.00 0.00 C ATOM 128 CG LEU A 27 -12.391 -23.064 14.411 1.00 0.00 C ATOM 129 CD1 LEU A 27 -11.869 -21.657 14.285 1.00 0.00 C ATOM 130 CD2 LEU A 27 -11.255 -23.960 14.912 1.00 0.00 C ATOM 0 H LEU A 27 -14.765 -23.486 13.187 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.614 -22.603 15.925 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.185 -22.846 16.372 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.691 -24.306 15.547 1.00 0.00 H new ATOM 0 HG LEU A 27 -12.768 -23.323 13.422 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.064 -21.632 13.550 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.675 -20.997 13.963 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.489 -21.322 15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.405 -23.883 14.234 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.954 -23.642 15.910 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.597 -24.994 14.949 1.00 0.00 H new ATOM 142 N VAL A 28 -15.555 -20.532 13.948 1.00 0.00 N ATOM 143 CA VAL A 28 -15.578 -19.035 13.728 1.00 0.00 C ATOM 144 C VAL A 28 -16.254 -18.307 14.916 1.00 0.00 C ATOM 145 O VAL A 28 -16.851 -18.926 15.774 1.00 0.00 O ATOM 146 CB VAL A 28 -16.336 -18.800 12.400 1.00 0.00 C ATOM 147 CG1 VAL A 28 -16.471 -17.309 12.016 1.00 0.00 C ATOM 148 CG2 VAL A 28 -15.511 -19.425 11.287 1.00 0.00 C ATOM 0 H VAL A 28 -16.123 -21.075 13.297 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.569 -18.628 13.668 1.00 0.00 H new ATOM 0 HB VAL A 28 -17.332 -19.223 12.529 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.013 -17.223 11.074 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.016 -16.780 12.798 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.479 -16.871 11.905 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -16.017 -19.278 10.333 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.529 -18.954 11.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -15.395 -20.492 11.476 1.00 0.00 H new ATOM 158 N GLY A 29 -16.145 -17.004 14.958 1.00 0.00 N ATOM 159 CA GLY A 29 -16.797 -16.203 16.075 1.00 0.00 C ATOM 160 C GLY A 29 -16.349 -16.579 17.500 1.00 0.00 C ATOM 161 O GLY A 29 -17.001 -16.272 18.476 1.00 0.00 O ATOM 0 H GLY A 29 -15.635 -16.446 14.273 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -16.587 -15.146 15.913 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.878 -16.327 16.006 1.00 0.00 H new ATOM 165 N LYS A 30 -15.233 -17.244 17.534 1.00 0.00 N ATOM 166 CA LYS A 30 -14.555 -17.693 18.792 1.00 0.00 C ATOM 167 C LYS A 30 -13.172 -17.073 18.805 1.00 0.00 C ATOM 168 O LYS A 30 -12.686 -16.749 17.744 1.00 0.00 O ATOM 169 CB LYS A 30 -14.259 -19.175 18.840 1.00 0.00 C ATOM 170 CG LYS A 30 -15.485 -20.081 18.797 1.00 0.00 C ATOM 171 CD LYS A 30 -14.899 -21.492 18.547 1.00 0.00 C ATOM 172 CE LYS A 30 -15.966 -22.559 18.405 1.00 0.00 C ATOM 173 NZ LYS A 30 -16.341 -23.014 19.769 1.00 0.00 N ATOM 0 H LYS A 30 -14.729 -17.513 16.689 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.224 -17.416 19.607 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -13.610 -19.428 18.001 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.700 -19.389 19.751 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.044 -20.041 19.732 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.171 -19.787 18.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.290 -21.472 17.643 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.237 -21.756 19.371 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.836 -22.161 17.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.593 -23.395 17.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.872 -23.906 19.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.481 -23.164 20.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -16.933 -22.291 20.225 1.00 0.00 H new ATOM 187 N SER A 31 -12.586 -16.945 19.958 1.00 0.00 N ATOM 188 CA SER A 31 -11.196 -16.434 20.035 1.00 0.00 C ATOM 189 C SER A 31 -10.261 -17.566 19.935 1.00 0.00 C ATOM 190 O SER A 31 -10.501 -18.747 20.129 1.00 0.00 O ATOM 191 CB SER A 31 -11.012 -15.650 21.348 1.00 0.00 C ATOM 192 OG SER A 31 -11.599 -16.464 22.355 1.00 0.00 O ATOM 0 H SER A 31 -13.013 -17.174 20.855 1.00 0.00 H new ATOM 0 HA SER A 31 -10.990 -15.753 19.210 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.957 -15.469 21.554 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.498 -14.676 21.296 1.00 0.00 H new ATOM 0 HG SER A 31 -11.514 -16.021 23.225 1.00 0.00 H new ATOM 198 N VAL A 32 -9.136 -17.062 19.576 1.00 0.00 N ATOM 199 CA VAL A 32 -8.024 -17.939 19.260 1.00 0.00 C ATOM 200 C VAL A 32 -7.794 -19.186 20.133 1.00 0.00 C ATOM 201 O VAL A 32 -7.736 -20.261 19.586 1.00 0.00 O ATOM 202 CB VAL A 32 -6.823 -17.024 19.229 1.00 0.00 C ATOM 203 CG1 VAL A 32 -6.030 -17.017 20.566 1.00 0.00 C ATOM 204 CG2 VAL A 32 -5.882 -17.541 18.162 1.00 0.00 C ATOM 0 H VAL A 32 -8.944 -16.064 19.489 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.245 -18.434 18.314 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.184 -16.013 19.041 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.179 -16.341 20.481 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.681 -16.681 21.373 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.673 -18.024 20.783 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.001 -16.901 18.113 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.578 -18.559 18.407 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.388 -17.536 17.197 1.00 0.00 H new ATOM 214 N GLU A 33 -7.675 -19.085 21.432 1.00 0.00 N ATOM 215 CA GLU A 33 -7.424 -20.332 22.236 1.00 0.00 C ATOM 216 C GLU A 33 -8.501 -21.379 21.962 1.00 0.00 C ATOM 217 O GLU A 33 -8.231 -22.534 21.693 1.00 0.00 O ATOM 218 CB GLU A 33 -7.362 -19.943 23.741 1.00 0.00 C ATOM 219 CG GLU A 33 -6.097 -19.045 24.005 1.00 0.00 C ATOM 220 CD GLU A 33 -4.819 -19.646 23.410 1.00 0.00 C ATOM 221 OE1 GLU A 33 -4.478 -20.758 23.781 1.00 0.00 O ATOM 222 OE2 GLU A 33 -4.276 -18.921 22.596 1.00 0.00 O ATOM 0 H GLU A 33 -7.738 -18.218 21.966 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.474 -20.781 21.946 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.267 -19.406 24.025 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.317 -20.841 24.357 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.262 -18.055 23.579 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.967 -18.912 25.079 1.00 0.00 H new ATOM 229 N GLU A 34 -9.712 -20.916 22.016 1.00 0.00 N ATOM 230 CA GLU A 34 -10.892 -21.799 21.731 1.00 0.00 C ATOM 231 C GLU A 34 -10.600 -22.495 20.377 1.00 0.00 C ATOM 232 O GLU A 34 -10.741 -23.689 20.197 1.00 0.00 O ATOM 233 CB GLU A 34 -12.149 -20.924 21.659 1.00 0.00 C ATOM 234 CG GLU A 34 -13.244 -21.358 22.704 1.00 0.00 C ATOM 235 CD GLU A 34 -13.652 -22.819 22.533 1.00 0.00 C ATOM 236 OE1 GLU A 34 -14.398 -23.062 21.598 1.00 0.00 O ATOM 237 OE2 GLU A 34 -13.191 -23.599 23.353 1.00 0.00 O ATOM 0 H GLU A 34 -9.948 -19.951 22.248 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.056 -22.550 22.504 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.875 -19.884 21.835 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.568 -20.977 20.654 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.863 -21.204 23.713 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.122 -20.721 22.594 1.00 0.00 H new ATOM 244 N ALA A 35 -10.180 -21.710 19.426 1.00 0.00 N ATOM 245 CA ALA A 35 -9.844 -22.300 18.091 1.00 0.00 C ATOM 246 C ALA A 35 -8.643 -23.265 18.167 1.00 0.00 C ATOM 247 O ALA A 35 -8.689 -24.362 17.656 1.00 0.00 O ATOM 248 CB ALA A 35 -9.547 -21.158 17.135 1.00 0.00 C ATOM 0 H ALA A 35 -10.055 -20.701 19.507 1.00 0.00 H new ATOM 0 HA ALA A 35 -10.692 -22.888 17.739 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -9.299 -21.561 16.153 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.423 -20.515 17.053 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -8.705 -20.577 17.512 1.00 0.00 H new ATOM 254 N LYS A 36 -7.583 -22.855 18.807 1.00 0.00 N ATOM 255 CA LYS A 36 -6.370 -23.709 18.923 1.00 0.00 C ATOM 256 C LYS A 36 -6.855 -25.067 19.390 1.00 0.00 C ATOM 257 O LYS A 36 -6.581 -26.097 18.822 1.00 0.00 O ATOM 258 CB LYS A 36 -5.392 -23.090 19.952 1.00 0.00 C ATOM 259 CG LYS A 36 -4.829 -21.733 19.472 1.00 0.00 C ATOM 260 CD LYS A 36 -3.704 -21.372 20.475 1.00 0.00 C ATOM 261 CE LYS A 36 -3.073 -20.011 20.218 1.00 0.00 C ATOM 262 NZ LYS A 36 -2.566 -20.006 18.813 1.00 0.00 N ATOM 0 H LYS A 36 -7.506 -21.946 19.263 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.837 -23.791 17.976 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.906 -22.953 20.904 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.568 -23.781 20.131 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.440 -21.807 18.456 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.605 -20.968 19.461 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.111 -21.390 21.486 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.929 -22.137 20.430 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.804 -19.216 20.364 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.259 -19.828 20.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.068 -19.112 18.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.911 -20.802 18.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.366 -20.100 18.155 1.00 0.00 H new ATOM 276 N LYS A 37 -7.621 -24.950 20.426 1.00 0.00 N ATOM 277 CA LYS A 37 -8.209 -26.093 21.146 1.00 0.00 C ATOM 278 C LYS A 37 -8.854 -27.043 20.123 1.00 0.00 C ATOM 279 O LYS A 37 -8.548 -28.219 20.042 1.00 0.00 O ATOM 280 CB LYS A 37 -9.203 -25.479 22.114 1.00 0.00 C ATOM 281 CG LYS A 37 -9.688 -26.392 23.234 1.00 0.00 C ATOM 282 CD LYS A 37 -10.851 -25.593 23.849 1.00 0.00 C ATOM 283 CE LYS A 37 -11.452 -26.270 25.060 1.00 0.00 C ATOM 284 NZ LYS A 37 -12.602 -25.404 25.463 1.00 0.00 N ATOM 0 H LYS A 37 -7.877 -24.047 20.825 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.487 -26.695 21.698 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.747 -24.596 22.562 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.070 -25.138 21.548 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.019 -27.358 22.853 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.903 -26.589 23.964 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.495 -24.602 24.132 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.626 -25.451 23.096 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.784 -27.280 24.822 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.723 -26.356 25.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.353 -24.874 26.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.820 -24.737 24.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.434 -25.998 25.652 1.00 0.00 H new ATOM 298 N VAL A 38 -9.734 -26.464 19.351 1.00 0.00 N ATOM 299 CA VAL A 38 -10.468 -27.246 18.282 1.00 0.00 C ATOM 300 C VAL A 38 -9.525 -27.867 17.253 1.00 0.00 C ATOM 301 O VAL A 38 -9.494 -29.040 16.942 1.00 0.00 O ATOM 302 CB VAL A 38 -11.407 -26.360 17.441 1.00 0.00 C ATOM 303 CG1 VAL A 38 -12.108 -27.247 16.363 1.00 0.00 C ATOM 304 CG2 VAL A 38 -12.472 -25.619 18.229 1.00 0.00 C ATOM 0 H VAL A 38 -9.986 -25.477 19.406 1.00 0.00 H new ATOM 0 HA VAL A 38 -11.012 -28.002 18.849 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.772 -25.591 17.001 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.775 -26.630 15.762 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.355 -27.700 15.719 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.684 -28.031 16.855 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.081 -25.024 17.548 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.106 -26.337 18.749 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.995 -24.963 18.957 1.00 0.00 H new ATOM 314 N ILE A 39 -8.746 -26.996 16.723 1.00 0.00 N ATOM 315 CA ILE A 39 -7.818 -27.354 15.635 1.00 0.00 C ATOM 316 C ILE A 39 -6.893 -28.466 16.068 1.00 0.00 C ATOM 317 O ILE A 39 -6.706 -29.458 15.399 1.00 0.00 O ATOM 318 CB ILE A 39 -7.104 -26.082 15.298 1.00 0.00 C ATOM 319 CG1 ILE A 39 -8.183 -25.117 14.764 1.00 0.00 C ATOM 320 CG2 ILE A 39 -6.226 -26.382 14.144 1.00 0.00 C ATOM 321 CD1 ILE A 39 -7.538 -23.847 14.252 1.00 0.00 C ATOM 0 H ILE A 39 -8.709 -26.016 17.005 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.325 -27.746 14.754 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.553 -25.679 16.148 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.746 -25.596 13.963 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.894 -24.880 15.556 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.681 -25.482 13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.518 -27.164 14.419 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.832 -26.721 13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.308 -23.173 13.877 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.995 -23.362 15.063 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.846 -24.090 13.446 1.00 0.00 H new ATOM 333 N LEU A 40 -6.307 -28.269 17.200 1.00 0.00 N ATOM 334 CA LEU A 40 -5.437 -29.296 17.779 1.00 0.00 C ATOM 335 C LEU A 40 -6.297 -30.573 17.916 1.00 0.00 C ATOM 336 O LEU A 40 -5.770 -31.648 17.718 1.00 0.00 O ATOM 337 CB LEU A 40 -4.946 -28.721 19.118 1.00 0.00 C ATOM 338 CG LEU A 40 -4.046 -27.449 18.986 1.00 0.00 C ATOM 339 CD1 LEU A 40 -3.569 -27.054 20.380 1.00 0.00 C ATOM 340 CD2 LEU A 40 -2.816 -27.687 18.143 1.00 0.00 C ATOM 0 H LEU A 40 -6.399 -27.420 17.758 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.562 -29.558 17.185 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.812 -28.476 19.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.387 -29.493 19.647 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.646 -26.675 18.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.939 -26.168 20.311 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.431 -26.838 21.012 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.997 -27.874 20.814 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.230 -26.770 18.087 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.213 -28.476 18.593 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.116 -27.988 17.139 1.00 0.00 H new ATOM 352 N GLN A 41 -7.564 -30.455 18.242 1.00 0.00 N ATOM 353 CA GLN A 41 -8.399 -31.709 18.308 1.00 0.00 C ATOM 354 C GLN A 41 -8.402 -32.442 16.949 1.00 0.00 C ATOM 355 O GLN A 41 -8.259 -33.645 16.860 1.00 0.00 O ATOM 356 CB GLN A 41 -9.852 -31.348 18.680 1.00 0.00 C ATOM 357 CG GLN A 41 -10.706 -32.637 18.807 1.00 0.00 C ATOM 358 CD GLN A 41 -12.188 -32.293 18.848 1.00 0.00 C ATOM 359 OE1 GLN A 41 -12.871 -32.499 19.826 1.00 0.00 O ATOM 360 NE2 GLN A 41 -12.731 -31.760 17.798 1.00 0.00 N ATOM 0 H GLN A 41 -8.046 -29.582 18.458 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.967 -32.364 19.065 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.869 -30.797 19.621 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.278 -30.693 17.920 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.503 -33.299 17.965 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.427 -33.177 19.712 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.167 -31.581 16.967 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.722 -31.520 17.803 1.00 0.00 H new ATOM 369 N ASP A 42 -8.577 -31.651 15.937 1.00 0.00 N ATOM 370 CA ASP A 42 -8.654 -32.137 14.521 1.00 0.00 C ATOM 371 C ASP A 42 -7.309 -32.639 13.955 1.00 0.00 C ATOM 372 O ASP A 42 -7.222 -33.704 13.374 1.00 0.00 O ATOM 373 CB ASP A 42 -9.238 -30.950 13.678 1.00 0.00 C ATOM 374 CG ASP A 42 -10.648 -30.533 14.140 1.00 0.00 C ATOM 375 OD1 ASP A 42 -11.118 -30.968 15.183 1.00 0.00 O ATOM 376 OD2 ASP A 42 -11.156 -29.750 13.344 1.00 0.00 O ATOM 0 H ASP A 42 -8.675 -30.640 16.029 1.00 0.00 H new ATOM 0 HA ASP A 42 -9.295 -33.017 14.474 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.568 -30.093 13.750 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.274 -31.238 12.627 1.00 0.00 H new ATOM 381 N LYS A 43 -6.282 -31.866 14.129 1.00 0.00 N ATOM 382 CA LYS A 43 -4.934 -32.274 13.611 1.00 0.00 C ATOM 383 C LYS A 43 -3.930 -32.178 14.783 1.00 0.00 C ATOM 384 O LYS A 43 -3.068 -31.330 14.754 1.00 0.00 O ATOM 385 CB LYS A 43 -4.592 -31.313 12.424 1.00 0.00 C ATOM 386 CG LYS A 43 -3.327 -31.811 11.663 1.00 0.00 C ATOM 387 CD LYS A 43 -3.065 -30.936 10.391 1.00 0.00 C ATOM 388 CE LYS A 43 -2.488 -29.570 10.765 1.00 0.00 C ATOM 389 NZ LYS A 43 -1.045 -29.744 11.077 1.00 0.00 N ATOM 0 H LYS A 43 -6.307 -30.965 14.607 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.901 -33.298 13.239 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.437 -31.258 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.422 -30.305 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.460 -31.771 12.323 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.458 -32.853 11.373 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.375 -31.455 9.726 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.997 -30.801 9.841 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.617 -28.865 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.016 -29.157 11.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.523 -28.891 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.927 -29.898 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.674 -30.566 10.558 1.00 0.00 H new ATOM 403 N PRO A 44 -4.053 -33.034 15.775 1.00 0.00 N ATOM 404 CA PRO A 44 -3.191 -33.049 16.999 1.00 0.00 C ATOM 405 C PRO A 44 -1.861 -32.249 17.020 1.00 0.00 C ATOM 406 O PRO A 44 -1.576 -31.587 17.999 1.00 0.00 O ATOM 407 CB PRO A 44 -3.079 -34.563 17.217 1.00 0.00 C ATOM 408 CG PRO A 44 -4.564 -34.982 17.028 1.00 0.00 C ATOM 409 CD PRO A 44 -5.056 -34.143 15.821 1.00 0.00 C ATOM 0 HA PRO A 44 -3.629 -32.478 17.818 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -2.418 -35.039 16.493 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.700 -34.813 18.208 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.652 -36.050 16.831 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.152 -34.773 17.922 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.064 -34.723 14.898 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -6.069 -33.769 15.971 1.00 0.00 H new ATOM 417 N GLU A 45 -1.093 -32.311 15.962 1.00 0.00 N ATOM 418 CA GLU A 45 0.214 -31.599 15.852 1.00 0.00 C ATOM 419 C GLU A 45 0.205 -30.132 15.337 1.00 0.00 C ATOM 420 O GLU A 45 1.229 -29.474 15.316 1.00 0.00 O ATOM 421 CB GLU A 45 1.071 -32.556 14.974 1.00 0.00 C ATOM 422 CG GLU A 45 0.479 -32.991 13.553 1.00 0.00 C ATOM 423 CD GLU A 45 0.313 -31.930 12.462 1.00 0.00 C ATOM 424 OE1 GLU A 45 0.578 -30.759 12.670 1.00 0.00 O ATOM 425 OE2 GLU A 45 -0.108 -32.353 11.394 1.00 0.00 O ATOM 0 H GLU A 45 -1.333 -32.853 15.132 1.00 0.00 H new ATOM 0 HA GLU A 45 0.615 -31.419 16.849 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.037 -32.080 14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.259 -33.462 15.550 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.123 -33.775 13.154 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.499 -33.440 13.727 1.00 0.00 H new ATOM 432 N ALA A 46 -0.932 -29.631 14.927 1.00 0.00 N ATOM 433 CA ALA A 46 -1.026 -28.218 14.438 1.00 0.00 C ATOM 434 C ALA A 46 -0.311 -27.169 15.363 1.00 0.00 C ATOM 435 O ALA A 46 -0.868 -26.711 16.341 1.00 0.00 O ATOM 436 CB ALA A 46 -2.560 -27.912 14.268 1.00 0.00 C ATOM 0 H ALA A 46 -1.812 -30.146 14.909 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.491 -28.123 13.493 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.690 -26.890 13.912 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.992 -28.606 13.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.063 -28.028 15.228 1.00 0.00 H new ATOM 442 N GLN A 47 0.903 -26.786 15.061 1.00 0.00 N ATOM 443 CA GLN A 47 1.628 -25.763 15.887 1.00 0.00 C ATOM 444 C GLN A 47 0.972 -24.438 15.403 1.00 0.00 C ATOM 445 O GLN A 47 1.365 -23.827 14.426 1.00 0.00 O ATOM 446 CB GLN A 47 3.157 -25.896 15.545 1.00 0.00 C ATOM 447 CG GLN A 47 4.081 -25.133 16.549 1.00 0.00 C ATOM 448 CD GLN A 47 3.914 -23.613 16.569 1.00 0.00 C ATOM 449 OE1 GLN A 47 4.196 -22.959 17.543 1.00 0.00 O ATOM 450 NE2 GLN A 47 3.471 -22.946 15.558 1.00 0.00 N ATOM 0 H GLN A 47 1.434 -27.142 14.266 1.00 0.00 H new ATOM 0 HA GLN A 47 1.560 -25.849 16.971 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.431 -26.951 15.539 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.332 -25.515 14.539 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.893 -25.515 17.552 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.119 -25.364 16.309 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.212 -23.433 14.700 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.379 -21.932 15.617 1.00 0.00 H new ATOM 459 N ILE A 48 -0.046 -24.024 16.115 1.00 0.00 N ATOM 460 CA ILE A 48 -0.821 -22.789 15.703 1.00 0.00 C ATOM 461 C ILE A 48 -0.467 -21.393 16.263 1.00 0.00 C ATOM 462 O ILE A 48 -0.617 -21.082 17.433 1.00 0.00 O ATOM 463 CB ILE A 48 -2.284 -23.067 16.000 1.00 0.00 C ATOM 464 CG1 ILE A 48 -2.710 -24.324 15.229 1.00 0.00 C ATOM 465 CG2 ILE A 48 -3.202 -21.843 15.653 1.00 0.00 C ATOM 466 CD1 ILE A 48 -4.038 -24.813 15.706 1.00 0.00 C ATOM 0 H ILE A 48 -0.382 -24.479 16.964 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.540 -22.670 14.657 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.401 -23.235 17.071 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.760 -24.103 14.163 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.962 -25.106 15.357 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.239 -22.089 15.882 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.895 -20.979 16.243 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.111 -21.609 14.592 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.320 -25.704 15.146 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.977 -25.055 16.767 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.788 -24.037 15.554 1.00 0.00 H new ATOM 478 N ILE A 49 -0.024 -20.579 15.346 1.00 0.00 N ATOM 479 CA ILE A 49 0.339 -19.161 15.668 1.00 0.00 C ATOM 480 C ILE A 49 -0.823 -18.257 15.180 1.00 0.00 C ATOM 481 O ILE A 49 -1.496 -18.575 14.217 1.00 0.00 O ATOM 482 CB ILE A 49 1.629 -18.812 14.944 1.00 0.00 C ATOM 483 CG1 ILE A 49 2.758 -19.834 15.196 1.00 0.00 C ATOM 484 CG2 ILE A 49 2.118 -17.385 15.284 1.00 0.00 C ATOM 485 CD1 ILE A 49 3.144 -19.887 16.680 1.00 0.00 C ATOM 0 H ILE A 49 0.106 -20.837 14.368 1.00 0.00 H new ATOM 0 HA ILE A 49 0.491 -19.019 16.738 1.00 0.00 H new ATOM 0 HB ILE A 49 1.383 -18.850 13.883 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.437 -20.822 14.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.631 -19.568 14.601 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.042 -17.179 14.744 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.358 -16.661 14.992 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.299 -17.308 16.356 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.941 -20.616 16.823 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.489 -18.904 17.001 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.276 -20.178 17.272 1.00 0.00 H new ATOM 497 N VAL A 50 -1.023 -17.157 15.849 1.00 0.00 N ATOM 498 CA VAL A 50 -2.134 -16.234 15.452 1.00 0.00 C ATOM 499 C VAL A 50 -1.642 -15.049 14.627 1.00 0.00 C ATOM 500 O VAL A 50 -0.493 -14.653 14.685 1.00 0.00 O ATOM 501 CB VAL A 50 -2.812 -15.763 16.739 1.00 0.00 C ATOM 502 CG1 VAL A 50 -1.848 -14.918 17.596 1.00 0.00 C ATOM 503 CG2 VAL A 50 -4.051 -14.913 16.416 1.00 0.00 C ATOM 0 H VAL A 50 -0.471 -16.854 16.651 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.837 -16.765 14.811 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.106 -16.653 17.296 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.356 -14.596 18.505 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.976 -15.517 17.860 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.529 -14.043 17.029 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.520 -14.587 17.344 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.752 -14.041 15.834 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.760 -15.508 15.840 1.00 0.00 H new ATOM 513 N LEU A 51 -2.550 -14.515 13.855 1.00 0.00 N ATOM 514 CA LEU A 51 -2.214 -13.351 12.986 1.00 0.00 C ATOM 515 C LEU A 51 -3.419 -12.340 12.925 1.00 0.00 C ATOM 516 O LEU A 51 -4.541 -12.762 12.718 1.00 0.00 O ATOM 517 CB LEU A 51 -1.825 -14.055 11.667 1.00 0.00 C ATOM 518 CG LEU A 51 -0.337 -13.913 11.272 1.00 0.00 C ATOM 519 CD1 LEU A 51 0.011 -15.064 10.261 1.00 0.00 C ATOM 520 CD2 LEU A 51 -0.043 -12.487 10.643 1.00 0.00 C ATOM 0 H LEU A 51 -3.516 -14.837 13.789 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.406 -12.702 13.324 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.064 -15.115 11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.440 -13.653 10.862 1.00 0.00 H new ATOM 0 HG LEU A 51 0.291 -13.997 12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.058 -14.986 9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.161 -16.030 10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.622 -14.976 9.378 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.011 -12.418 10.375 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.654 -12.350 9.751 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.284 -11.712 11.370 1.00 0.00 H new ATOM 532 N PRO A 52 -3.208 -11.051 13.104 1.00 0.00 N ATOM 533 CA PRO A 52 -4.319 -10.041 13.035 1.00 0.00 C ATOM 534 C PRO A 52 -4.856 -9.788 11.596 1.00 0.00 C ATOM 535 O PRO A 52 -4.176 -9.261 10.724 1.00 0.00 O ATOM 536 CB PRO A 52 -3.695 -8.810 13.695 1.00 0.00 C ATOM 537 CG PRO A 52 -2.213 -8.912 13.238 1.00 0.00 C ATOM 538 CD PRO A 52 -1.895 -10.409 13.413 1.00 0.00 C ATOM 0 HA PRO A 52 -5.225 -10.375 13.540 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.163 -7.885 13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.790 -8.837 14.781 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.087 -8.592 12.204 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.560 -8.287 13.847 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -1.110 -10.740 12.733 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.558 -10.638 14.424 1.00 0.00 H new ATOM 546 N VAL A 53 -6.096 -10.181 11.419 1.00 0.00 N ATOM 547 CA VAL A 53 -6.830 -10.099 10.116 1.00 0.00 C ATOM 548 C VAL A 53 -6.604 -8.843 9.363 1.00 0.00 C ATOM 549 O VAL A 53 -6.855 -7.740 9.832 1.00 0.00 O ATOM 550 CB VAL A 53 -8.317 -10.269 10.343 1.00 0.00 C ATOM 551 CG1 VAL A 53 -9.118 -9.828 9.082 1.00 0.00 C ATOM 552 CG2 VAL A 53 -8.579 -11.738 10.465 1.00 0.00 C ATOM 0 H VAL A 53 -6.659 -10.578 12.171 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.426 -10.908 9.508 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.609 -9.686 11.217 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.185 -9.958 9.265 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -8.911 -8.779 8.868 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -8.819 -10.438 8.229 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.643 -11.905 10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.271 -12.240 9.548 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.014 -12.140 11.306 1.00 0.00 H new ATOM 562 N GLY A 54 -6.148 -9.163 8.187 1.00 0.00 N ATOM 563 CA GLY A 54 -5.733 -8.067 7.239 1.00 0.00 C ATOM 564 C GLY A 54 -4.258 -8.241 6.910 1.00 0.00 C ATOM 565 O GLY A 54 -3.865 -7.998 5.792 1.00 0.00 O ATOM 0 H GLY A 54 -6.042 -10.115 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.331 -8.108 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.907 -7.090 7.691 1.00 0.00 H new ATOM 569 N THR A 55 -3.490 -8.635 7.893 1.00 0.00 N ATOM 570 CA THR A 55 -2.047 -8.961 7.769 1.00 0.00 C ATOM 571 C THR A 55 -1.901 -10.111 6.767 1.00 0.00 C ATOM 572 O THR A 55 -1.514 -11.186 7.164 1.00 0.00 O ATOM 573 CB THR A 55 -1.673 -9.293 9.173 1.00 0.00 C ATOM 574 OG1 THR A 55 -1.838 -8.103 9.914 1.00 0.00 O ATOM 575 CG2 THR A 55 -0.315 -9.597 9.362 1.00 0.00 C ATOM 0 H THR A 55 -3.840 -8.749 8.844 1.00 0.00 H new ATOM 0 HA THR A 55 -1.396 -8.177 7.382 1.00 0.00 H new ATOM 0 HB THR A 55 -2.279 -10.153 9.459 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.736 -8.084 10.306 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.136 -9.825 10.413 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.047 -10.460 8.752 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.294 -8.742 9.068 1.00 0.00 H new ATOM 583 N ILE A 56 -2.212 -9.897 5.512 1.00 0.00 N ATOM 584 CA ILE A 56 -2.113 -11.022 4.529 1.00 0.00 C ATOM 585 C ILE A 56 -0.723 -11.624 4.536 1.00 0.00 C ATOM 586 O ILE A 56 0.260 -10.943 4.764 1.00 0.00 O ATOM 587 CB ILE A 56 -2.478 -10.492 3.113 1.00 0.00 C ATOM 588 CG1 ILE A 56 -3.980 -10.059 3.062 1.00 0.00 C ATOM 589 CG2 ILE A 56 -2.231 -11.578 2.019 1.00 0.00 C ATOM 590 CD1 ILE A 56 -4.931 -11.185 3.574 1.00 0.00 C ATOM 0 H ILE A 56 -2.526 -9.005 5.129 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.812 -11.809 4.811 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.837 -9.634 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.120 -9.163 3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.247 -9.797 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.496 -11.176 1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.179 -11.864 2.021 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.845 -12.453 2.230 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -5.964 -10.841 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.812 -12.072 2.952 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.683 -11.429 4.607 1.00 0.00 H new ATOM 602 N VAL A 57 -0.728 -12.898 4.273 1.00 0.00 N ATOM 603 CA VAL A 57 0.524 -13.694 4.301 1.00 0.00 C ATOM 604 C VAL A 57 0.915 -14.465 3.009 1.00 0.00 C ATOM 605 O VAL A 57 0.637 -14.032 1.909 1.00 0.00 O ATOM 606 CB VAL A 57 0.377 -14.618 5.581 1.00 0.00 C ATOM 607 CG1 VAL A 57 0.522 -13.752 6.818 1.00 0.00 C ATOM 608 CG2 VAL A 57 -1.016 -15.315 5.687 1.00 0.00 C ATOM 0 H VAL A 57 -1.565 -13.431 4.035 1.00 0.00 H new ATOM 0 HA VAL A 57 1.378 -13.018 4.354 1.00 0.00 H new ATOM 0 HB VAL A 57 1.144 -15.388 5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.424 -14.371 7.709 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.502 -13.274 6.815 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.255 -12.987 6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.047 -15.931 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.799 -14.558 5.739 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.176 -15.943 4.811 1.00 0.00 H new ATOM 618 N THR A 58 1.552 -15.587 3.209 1.00 0.00 N ATOM 619 CA THR A 58 2.189 -16.498 2.241 1.00 0.00 C ATOM 620 C THR A 58 1.466 -17.648 1.505 1.00 0.00 C ATOM 621 O THR A 58 0.483 -18.182 1.974 1.00 0.00 O ATOM 622 CB THR A 58 3.366 -17.028 3.041 1.00 0.00 C ATOM 623 OG1 THR A 58 2.992 -17.139 4.416 1.00 0.00 O ATOM 624 CG2 THR A 58 4.555 -16.099 3.081 1.00 0.00 C ATOM 0 H THR A 58 1.660 -15.943 4.159 1.00 0.00 H new ATOM 0 HA THR A 58 2.347 -15.896 1.346 1.00 0.00 H new ATOM 0 HB THR A 58 3.629 -17.966 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.325 -16.361 4.909 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.351 -16.552 3.672 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.912 -15.921 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.262 -15.152 3.534 1.00 0.00 H new ATOM 632 N MET A 59 2.019 -17.995 0.367 1.00 0.00 N ATOM 633 CA MET A 59 1.527 -19.135 -0.488 1.00 0.00 C ATOM 634 C MET A 59 2.297 -20.443 -0.162 1.00 0.00 C ATOM 635 O MET A 59 2.565 -21.284 -1.002 1.00 0.00 O ATOM 636 CB MET A 59 1.731 -18.739 -1.968 1.00 0.00 C ATOM 637 CG MET A 59 0.818 -17.560 -2.378 1.00 0.00 C ATOM 638 SD MET A 59 1.013 -16.007 -1.464 1.00 0.00 S ATOM 639 CE MET A 59 -0.432 -16.128 -0.376 1.00 0.00 C ATOM 0 H MET A 59 2.829 -17.514 -0.025 1.00 0.00 H new ATOM 0 HA MET A 59 0.472 -19.323 -0.289 1.00 0.00 H new ATOM 0 HB2 MET A 59 2.773 -18.465 -2.131 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.524 -19.598 -2.606 1.00 0.00 H new ATOM 0 HG2 MET A 59 0.986 -17.354 -3.435 1.00 0.00 H new ATOM 0 HG3 MET A 59 -0.218 -17.884 -2.277 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.178 -15.740 0.610 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.253 -15.546 -0.795 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.735 -17.171 -0.288 1.00 0.00 H new ATOM 649 N GLU A 60 2.615 -20.548 1.092 1.00 0.00 N ATOM 650 CA GLU A 60 3.403 -21.661 1.683 1.00 0.00 C ATOM 651 C GLU A 60 2.629 -22.966 2.025 1.00 0.00 C ATOM 652 O GLU A 60 1.453 -23.117 1.758 1.00 0.00 O ATOM 653 CB GLU A 60 4.049 -21.005 2.910 1.00 0.00 C ATOM 654 CG GLU A 60 2.947 -20.682 3.986 1.00 0.00 C ATOM 655 CD GLU A 60 3.427 -19.848 5.171 1.00 0.00 C ATOM 656 OE1 GLU A 60 4.550 -19.383 5.214 1.00 0.00 O ATOM 657 OE2 GLU A 60 2.586 -19.691 6.026 1.00 0.00 O ATOM 0 H GLU A 60 2.337 -19.851 1.783 1.00 0.00 H new ATOM 0 HA GLU A 60 4.112 -22.056 0.956 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.801 -21.670 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.562 -20.089 2.616 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.128 -20.154 3.498 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.542 -21.621 4.362 1.00 0.00 H new ATOM 664 N TYR A 61 3.351 -23.885 2.616 1.00 0.00 N ATOM 665 CA TYR A 61 2.767 -25.187 3.087 1.00 0.00 C ATOM 666 C TYR A 61 3.239 -25.406 4.526 1.00 0.00 C ATOM 667 O TYR A 61 3.847 -26.400 4.884 1.00 0.00 O ATOM 668 CB TYR A 61 3.257 -26.343 2.187 1.00 0.00 C ATOM 669 CG TYR A 61 2.360 -27.578 2.349 1.00 0.00 C ATOM 670 CD1 TYR A 61 1.386 -27.750 3.314 1.00 0.00 C ATOM 671 CD2 TYR A 61 2.538 -28.562 1.423 1.00 0.00 C ATOM 672 CE1 TYR A 61 0.612 -28.882 3.326 1.00 0.00 C ATOM 673 CE2 TYR A 61 1.756 -29.706 1.436 1.00 0.00 C ATOM 674 CZ TYR A 61 0.784 -29.864 2.395 1.00 0.00 C ATOM 675 OH TYR A 61 -0.034 -30.968 2.444 1.00 0.00 O ATOM 0 H TYR A 61 4.350 -23.787 2.798 1.00 0.00 H new ATOM 0 HA TYR A 61 1.678 -25.160 3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.258 -26.023 1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.285 -26.599 2.443 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.233 -26.988 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 61 3.301 -28.448 0.667 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -0.147 -28.998 4.086 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.910 -30.474 0.692 1.00 0.00 H new ATOM 0 HH TYR A 61 0.203 -31.583 1.719 1.00 0.00 H new ATOM 685 N ARG A 62 2.949 -24.451 5.355 1.00 0.00 N ATOM 686 CA ARG A 62 3.387 -24.578 6.767 1.00 0.00 C ATOM 687 C ARG A 62 2.300 -25.296 7.523 1.00 0.00 C ATOM 688 O ARG A 62 1.589 -24.836 8.393 1.00 0.00 O ATOM 689 CB ARG A 62 3.675 -23.168 7.264 1.00 0.00 C ATOM 690 CG ARG A 62 4.801 -22.568 6.359 1.00 0.00 C ATOM 691 CD ARG A 62 5.942 -23.574 6.057 1.00 0.00 C ATOM 692 NE ARG A 62 6.409 -24.134 7.353 1.00 0.00 N ATOM 693 CZ ARG A 62 7.625 -24.403 7.623 1.00 0.00 C ATOM 694 NH1 ARG A 62 8.561 -23.563 7.418 1.00 0.00 N ATOM 695 NH2 ARG A 62 7.765 -25.564 8.109 1.00 0.00 N ATOM 0 H ARG A 62 2.436 -23.600 5.123 1.00 0.00 H new ATOM 0 HA ARG A 62 4.295 -25.165 6.902 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.776 -22.554 7.215 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.991 -23.187 8.307 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.363 -22.233 5.419 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.221 -21.688 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.586 -24.370 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.762 -23.077 5.538 1.00 0.00 H new ATOM 0 HE ARG A 62 5.710 -24.315 8.073 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.346 -22.646 7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.525 -23.808 7.645 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.950 -26.163 8.242 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.693 -25.900 8.368 1.00 0.00 H new ATOM 709 N ILE A 63 2.257 -26.514 7.070 1.00 0.00 N ATOM 710 CA ILE A 63 1.344 -27.564 7.563 1.00 0.00 C ATOM 711 C ILE A 63 1.477 -27.685 9.051 1.00 0.00 C ATOM 712 O ILE A 63 0.576 -28.080 9.742 1.00 0.00 O ATOM 713 CB ILE A 63 1.732 -28.808 6.741 1.00 0.00 C ATOM 714 CG1 ILE A 63 0.888 -30.017 7.048 1.00 0.00 C ATOM 715 CG2 ILE A 63 3.183 -29.212 7.062 1.00 0.00 C ATOM 716 CD1 ILE A 63 -0.611 -29.835 6.890 1.00 0.00 C ATOM 0 H ILE A 63 2.868 -26.839 6.321 1.00 0.00 H new ATOM 0 HA ILE A 63 0.281 -27.368 7.424 1.00 0.00 H new ATOM 0 HB ILE A 63 1.589 -28.524 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.206 -30.833 6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.091 -30.327 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.453 -30.092 6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.854 -28.390 6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.271 -29.440 8.124 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.119 -30.767 7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.954 -29.047 7.560 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.838 -29.560 5.860 1.00 0.00 H new ATOM 728 N ASP A 64 2.622 -27.321 9.508 1.00 0.00 N ATOM 729 CA ASP A 64 2.957 -27.271 10.945 1.00 0.00 C ATOM 730 C ASP A 64 2.017 -26.270 11.670 1.00 0.00 C ATOM 731 O ASP A 64 2.025 -26.169 12.875 1.00 0.00 O ATOM 732 CB ASP A 64 4.434 -26.854 10.958 1.00 0.00 C ATOM 733 CG ASP A 64 4.610 -25.651 10.030 1.00 0.00 C ATOM 734 OD1 ASP A 64 4.148 -24.565 10.354 1.00 0.00 O ATOM 735 OD2 ASP A 64 5.214 -25.895 9.001 1.00 0.00 O ATOM 0 H ASP A 64 3.393 -27.036 8.903 1.00 0.00 H new ATOM 0 HA ASP A 64 2.818 -28.213 11.476 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.746 -26.599 11.971 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.063 -27.681 10.629 1.00 0.00 H new ATOM 740 N ARG A 65 1.223 -25.555 10.919 1.00 0.00 N ATOM 741 CA ARG A 65 0.361 -24.468 11.479 1.00 0.00 C ATOM 742 C ARG A 65 -1.087 -24.251 10.997 1.00 0.00 C ATOM 743 O ARG A 65 -1.399 -24.552 9.864 1.00 0.00 O ATOM 744 CB ARG A 65 1.210 -23.289 11.217 1.00 0.00 C ATOM 745 CG ARG A 65 0.559 -21.899 11.513 1.00 0.00 C ATOM 746 CD ARG A 65 1.645 -20.800 11.401 1.00 0.00 C ATOM 747 NE ARG A 65 2.635 -21.305 10.385 1.00 0.00 N ATOM 748 CZ ARG A 65 2.831 -20.721 9.268 1.00 0.00 C ATOM 749 NH1 ARG A 65 1.919 -20.887 8.410 1.00 0.00 N ATOM 750 NH2 ARG A 65 3.859 -20.018 9.019 1.00 0.00 N ATOM 0 H ARG A 65 1.132 -25.682 9.911 1.00 0.00 H new ATOM 0 HA ARG A 65 0.109 -24.721 12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.117 -23.378 11.815 1.00 0.00 H new ATOM 0 HB3 ARG A 65 1.515 -23.310 10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.249 -21.704 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 65 0.119 -21.894 12.510 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.210 -19.851 11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.126 -20.626 12.363 1.00 0.00 H new ATOM 0 HE ARG A 65 3.170 -22.147 10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.103 -21.455 8.637 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.999 -20.453 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.580 -19.898 9.731 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.964 -19.573 8.107 1.00 0.00 H new ATOM 764 N VAL A 66 -1.951 -23.724 11.845 1.00 0.00 N ATOM 765 CA VAL A 66 -3.293 -23.327 11.312 1.00 0.00 C ATOM 766 C VAL A 66 -3.341 -21.834 11.462 1.00 0.00 C ATOM 767 O VAL A 66 -3.702 -21.252 12.472 1.00 0.00 O ATOM 768 CB VAL A 66 -4.462 -23.937 12.052 1.00 0.00 C ATOM 769 CG1 VAL A 66 -5.771 -23.626 11.282 1.00 0.00 C ATOM 770 CG2 VAL A 66 -4.381 -25.373 11.793 1.00 0.00 C ATOM 0 H VAL A 66 -1.792 -23.559 12.839 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.392 -23.681 10.286 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.448 -23.600 13.088 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.617 -24.064 11.811 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.905 -22.546 11.213 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.712 -24.049 10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.201 -25.881 12.301 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.451 -25.554 10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.431 -25.757 12.164 1.00 0.00 H new ATOM 780 N ARG A 67 -2.914 -21.264 10.365 1.00 0.00 N ATOM 781 CA ARG A 67 -2.844 -19.774 10.276 1.00 0.00 C ATOM 782 C ARG A 67 -4.177 -19.264 10.764 1.00 0.00 C ATOM 783 O ARG A 67 -5.215 -19.648 10.241 1.00 0.00 O ATOM 784 CB ARG A 67 -2.575 -19.433 8.831 1.00 0.00 C ATOM 785 CG ARG A 67 -2.943 -18.020 8.439 1.00 0.00 C ATOM 786 CD ARG A 67 -2.453 -17.915 6.983 1.00 0.00 C ATOM 787 NE ARG A 67 -0.949 -18.059 7.112 1.00 0.00 N ATOM 788 CZ ARG A 67 -0.158 -18.654 6.291 1.00 0.00 C ATOM 789 NH1 ARG A 67 -0.274 -19.881 5.933 1.00 0.00 N ATOM 790 NH2 ARG A 67 0.755 -17.871 5.895 1.00 0.00 N ATOM 0 H ARG A 67 -2.611 -21.764 9.529 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.056 -19.321 10.878 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.516 -19.589 8.626 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.128 -20.127 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.017 -17.849 8.515 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.457 -17.285 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.880 -18.698 6.357 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.729 -16.961 6.533 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.520 -17.640 7.937 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.033 -20.451 6.305 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.393 -20.286 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.784 -16.909 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 67 1.461 -18.202 5.237 1.00 0.00 H new ATOM 804 N LEU A 68 -4.087 -18.436 11.760 1.00 0.00 N ATOM 805 CA LEU A 68 -5.307 -17.937 12.350 1.00 0.00 C ATOM 806 C LEU A 68 -5.467 -16.446 12.162 1.00 0.00 C ATOM 807 O LEU A 68 -5.073 -15.698 13.035 1.00 0.00 O ATOM 808 CB LEU A 68 -5.165 -18.471 13.795 1.00 0.00 C ATOM 809 CG LEU A 68 -6.354 -18.250 14.717 1.00 0.00 C ATOM 810 CD1 LEU A 68 -7.660 -18.088 13.963 1.00 0.00 C ATOM 811 CD2 LEU A 68 -6.479 -19.561 15.557 1.00 0.00 C ATOM 0 H LEU A 68 -3.219 -18.097 12.175 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.242 -18.270 11.899 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.965 -19.541 13.746 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.290 -18.004 14.247 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.190 -17.344 15.301 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.473 -17.933 14.672 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.591 -17.228 13.297 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.856 -18.986 13.377 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.319 -19.473 16.246 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.645 -20.407 14.889 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.561 -19.720 16.123 1.00 0.00 H new ATOM 823 N PHE A 69 -5.988 -16.062 11.017 1.00 0.00 N ATOM 824 CA PHE A 69 -6.359 -14.631 10.866 1.00 0.00 C ATOM 825 C PHE A 69 -7.638 -14.401 11.712 1.00 0.00 C ATOM 826 O PHE A 69 -8.747 -14.832 11.429 1.00 0.00 O ATOM 827 CB PHE A 69 -6.519 -14.329 9.284 1.00 0.00 C ATOM 828 CG PHE A 69 -5.101 -14.083 8.946 1.00 0.00 C ATOM 829 CD1 PHE A 69 -4.646 -12.903 9.445 1.00 0.00 C ATOM 830 CD2 PHE A 69 -4.259 -14.929 8.262 1.00 0.00 C ATOM 831 CE1 PHE A 69 -3.362 -12.554 9.274 1.00 0.00 C ATOM 832 CE2 PHE A 69 -2.993 -14.564 8.105 1.00 0.00 C ATOM 833 CZ PHE A 69 -2.511 -13.399 8.584 1.00 0.00 C ATOM 0 H PHE A 69 -6.165 -16.660 10.210 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.608 -13.932 11.234 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.942 -15.171 8.736 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.155 -13.467 9.083 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.318 -12.247 9.979 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.619 -15.866 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.995 -11.620 9.672 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.324 -15.224 7.574 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.476 -13.130 8.431 1.00 0.00 H new ATOM 843 N VAL A 70 -7.311 -13.687 12.770 1.00 0.00 N ATOM 844 CA VAL A 70 -8.315 -13.312 13.868 1.00 0.00 C ATOM 845 C VAL A 70 -8.555 -11.784 13.879 1.00 0.00 C ATOM 846 O VAL A 70 -7.870 -11.099 13.159 1.00 0.00 O ATOM 847 CB VAL A 70 -7.789 -13.699 15.289 1.00 0.00 C ATOM 848 CG1 VAL A 70 -7.389 -15.148 15.377 1.00 0.00 C ATOM 849 CG2 VAL A 70 -6.556 -12.887 15.704 1.00 0.00 C ATOM 0 H VAL A 70 -6.369 -13.332 12.936 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.233 -13.857 13.648 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.628 -13.487 15.952 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.031 -15.366 16.383 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.250 -15.777 15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.596 -15.351 14.658 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.234 -13.197 16.698 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.750 -13.060 14.991 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.807 -11.826 15.718 1.00 0.00 H new ATOM 859 N ASP A 71 -9.441 -11.208 14.652 1.00 0.00 N ATOM 860 CA ASP A 71 -9.570 -9.718 14.523 1.00 0.00 C ATOM 861 C ASP A 71 -8.609 -8.988 15.454 1.00 0.00 C ATOM 862 O ASP A 71 -7.504 -9.401 15.753 1.00 0.00 O ATOM 863 CB ASP A 71 -11.046 -9.254 14.828 1.00 0.00 C ATOM 864 CG ASP A 71 -11.350 -9.051 16.297 1.00 0.00 C ATOM 865 OD1 ASP A 71 -11.169 -10.001 17.029 1.00 0.00 O ATOM 866 OD2 ASP A 71 -11.715 -7.912 16.537 1.00 0.00 O ATOM 0 H ASP A 71 -10.049 -11.668 15.330 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.316 -9.464 13.494 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.237 -8.321 14.298 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.737 -9.995 14.426 1.00 0.00 H new ATOM 871 N LYS A 72 -9.107 -7.878 15.879 1.00 0.00 N ATOM 872 CA LYS A 72 -8.334 -7.007 16.789 1.00 0.00 C ATOM 873 C LYS A 72 -8.562 -7.292 18.250 1.00 0.00 C ATOM 874 O LYS A 72 -8.008 -6.669 19.130 1.00 0.00 O ATOM 875 CB LYS A 72 -8.673 -5.550 16.450 1.00 0.00 C ATOM 876 CG LYS A 72 -7.956 -5.108 15.149 1.00 0.00 C ATOM 877 CD LYS A 72 -8.505 -5.858 13.909 1.00 0.00 C ATOM 878 CE LYS A 72 -7.735 -5.455 12.671 1.00 0.00 C ATOM 879 NZ LYS A 72 -8.475 -6.024 11.499 1.00 0.00 N ATOM 0 H LYS A 72 -10.033 -7.528 15.632 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.275 -7.210 16.631 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.751 -5.440 16.332 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.375 -4.901 17.274 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.083 -4.034 15.010 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.886 -5.293 15.242 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.425 -6.934 14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.563 -5.632 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.665 -4.370 12.595 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.715 -5.838 12.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.838 -6.635 10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.284 -6.583 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.817 -5.249 10.895 1.00 0.00 H new ATOM 893 N LEU A 73 -9.387 -8.251 18.440 1.00 0.00 N ATOM 894 CA LEU A 73 -9.745 -8.748 19.785 1.00 0.00 C ATOM 895 C LEU A 73 -9.803 -10.320 19.660 1.00 0.00 C ATOM 896 O LEU A 73 -10.715 -11.004 20.072 1.00 0.00 O ATOM 897 CB LEU A 73 -11.046 -7.892 20.024 1.00 0.00 C ATOM 898 CG LEU A 73 -12.343 -8.637 19.863 1.00 0.00 C ATOM 899 CD1 LEU A 73 -12.709 -9.227 21.232 1.00 0.00 C ATOM 900 CD2 LEU A 73 -13.456 -7.642 19.466 1.00 0.00 C ATOM 0 H LEU A 73 -9.858 -8.743 17.681 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.100 -8.627 20.656 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -11.008 -7.476 21.031 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.040 -7.051 19.331 1.00 0.00 H new ATOM 0 HG LEU A 73 -12.244 -9.411 19.102 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -13.647 -9.776 21.153 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.920 -9.903 21.560 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.820 -8.421 21.957 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.398 -8.178 19.348 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.563 -6.886 20.244 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.193 -7.159 18.525 1.00 0.00 H new ATOM 912 N ASP A 74 -8.754 -10.810 19.046 1.00 0.00 N ATOM 913 CA ASP A 74 -8.485 -12.256 18.795 1.00 0.00 C ATOM 914 C ASP A 74 -9.650 -13.211 18.480 1.00 0.00 C ATOM 915 O ASP A 74 -9.528 -14.391 18.738 1.00 0.00 O ATOM 916 CB ASP A 74 -7.613 -12.682 20.064 1.00 0.00 C ATOM 917 CG ASP A 74 -8.285 -13.667 21.032 1.00 0.00 C ATOM 918 OD1 ASP A 74 -9.199 -13.221 21.704 1.00 0.00 O ATOM 919 OD2 ASP A 74 -7.855 -14.808 21.047 1.00 0.00 O ATOM 0 H ASP A 74 -8.016 -10.208 18.681 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.987 -12.360 17.831 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.683 -13.126 19.710 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.346 -11.782 20.618 1.00 0.00 H new ATOM 924 N ASN A 75 -10.723 -12.716 17.915 1.00 0.00 N ATOM 925 CA ASN A 75 -11.853 -13.622 17.541 1.00 0.00 C ATOM 926 C ASN A 75 -11.799 -13.916 16.043 1.00 0.00 C ATOM 927 O ASN A 75 -11.322 -13.149 15.228 1.00 0.00 O ATOM 928 CB ASN A 75 -13.152 -12.923 17.951 1.00 0.00 C ATOM 929 CG ASN A 75 -13.270 -13.056 19.431 1.00 0.00 C ATOM 930 OD1 ASN A 75 -13.357 -14.122 19.998 1.00 0.00 O ATOM 931 ND2 ASN A 75 -13.276 -11.960 20.083 1.00 0.00 N ATOM 0 H ASN A 75 -10.865 -11.730 17.697 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.789 -14.583 18.052 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -13.134 -11.873 17.658 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.008 -13.378 17.453 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -13.355 -11.972 21.100 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.202 -11.071 19.588 1.00 0.00 H new ATOM 938 N ILE A 76 -12.300 -15.058 15.702 1.00 0.00 N ATOM 939 CA ILE A 76 -12.247 -15.511 14.305 1.00 0.00 C ATOM 940 C ILE A 76 -13.260 -14.914 13.380 1.00 0.00 C ATOM 941 O ILE A 76 -14.399 -15.297 13.182 1.00 0.00 O ATOM 942 CB ILE A 76 -12.298 -16.996 14.353 1.00 0.00 C ATOM 943 CG1 ILE A 76 -10.929 -17.213 15.050 1.00 0.00 C ATOM 944 CG2 ILE A 76 -12.251 -17.496 12.872 1.00 0.00 C ATOM 945 CD1 ILE A 76 -10.746 -18.587 15.324 1.00 0.00 C ATOM 0 H ILE A 76 -12.752 -15.706 16.347 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.323 -15.150 13.854 1.00 0.00 H new ATOM 0 HB ILE A 76 -13.150 -17.481 14.830 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -10.124 -16.849 14.412 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -10.886 -16.639 15.976 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -12.286 -18.585 12.854 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -13.106 -17.097 12.326 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -11.328 -17.155 12.402 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.783 -18.735 15.813 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -11.544 -18.937 15.979 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -10.769 -19.150 14.391 1.00 0.00 H new ATOM 957 N ALA A 77 -12.581 -13.926 12.901 1.00 0.00 N ATOM 958 CA ALA A 77 -12.934 -12.916 11.910 1.00 0.00 C ATOM 959 C ALA A 77 -12.978 -13.473 10.473 1.00 0.00 C ATOM 960 O ALA A 77 -13.862 -13.161 9.703 1.00 0.00 O ATOM 961 CB ALA A 77 -11.860 -11.915 12.271 1.00 0.00 C ATOM 0 H ALA A 77 -11.628 -13.772 13.231 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.937 -12.491 11.925 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -11.944 -11.042 11.623 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.982 -11.609 13.310 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.879 -12.371 12.140 1.00 0.00 H new ATOM 967 N GLN A 78 -12.006 -14.281 10.189 1.00 0.00 N ATOM 968 CA GLN A 78 -11.877 -14.926 8.840 1.00 0.00 C ATOM 969 C GLN A 78 -11.995 -16.427 9.108 1.00 0.00 C ATOM 970 O GLN A 78 -11.714 -16.813 10.225 1.00 0.00 O ATOM 971 CB GLN A 78 -10.489 -14.589 8.270 1.00 0.00 C ATOM 972 CG GLN A 78 -10.275 -15.289 6.894 1.00 0.00 C ATOM 973 CD GLN A 78 -8.794 -15.519 6.633 1.00 0.00 C ATOM 974 OE1 GLN A 78 -7.999 -14.642 6.399 1.00 0.00 O ATOM 975 NE2 GLN A 78 -8.343 -16.723 6.661 1.00 0.00 N ATOM 0 H GLN A 78 -11.269 -14.535 10.847 1.00 0.00 H new ATOM 0 HA GLN A 78 -12.628 -14.588 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -10.390 -13.510 8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -9.716 -14.907 8.970 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -10.804 -16.242 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -10.699 -14.676 6.099 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -8.975 -17.500 6.855 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.353 -16.901 6.490 1.00 0.00 H new ATOM 984 N VAL A 79 -12.383 -17.280 8.186 1.00 0.00 N ATOM 985 CA VAL A 79 -12.289 -18.697 8.636 1.00 0.00 C ATOM 986 C VAL A 79 -10.776 -19.042 8.563 1.00 0.00 C ATOM 987 O VAL A 79 -10.096 -18.704 7.606 1.00 0.00 O ATOM 988 CB VAL A 79 -13.065 -19.667 7.737 1.00 0.00 C ATOM 989 CG1 VAL A 79 -12.757 -21.065 8.273 1.00 0.00 C ATOM 990 CG2 VAL A 79 -14.522 -19.550 8.108 1.00 0.00 C ATOM 0 H VAL A 79 -12.724 -17.087 7.244 1.00 0.00 H new ATOM 0 HA VAL A 79 -12.720 -18.800 9.632 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.835 -19.486 6.687 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.282 -21.808 7.673 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -11.684 -21.247 8.219 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -13.085 -21.138 9.310 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -15.111 -20.227 7.489 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -14.652 -19.813 9.158 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -14.858 -18.526 7.946 1.00 0.00 H new ATOM 1000 N PRO A 80 -10.243 -19.710 9.556 1.00 0.00 N ATOM 1001 CA PRO A 80 -8.786 -20.063 9.630 1.00 0.00 C ATOM 1002 C PRO A 80 -8.461 -21.313 8.796 1.00 0.00 C ATOM 1003 O PRO A 80 -9.359 -21.995 8.338 1.00 0.00 O ATOM 1004 CB PRO A 80 -8.545 -20.249 11.131 1.00 0.00 C ATOM 1005 CG PRO A 80 -9.869 -19.688 11.748 1.00 0.00 C ATOM 1006 CD PRO A 80 -10.927 -20.207 10.768 1.00 0.00 C ATOM 0 HA PRO A 80 -8.131 -19.302 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.385 -21.295 11.392 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.670 -19.698 11.475 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -10.035 -20.057 12.760 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -9.864 -18.599 11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.048 -21.290 10.789 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -11.915 -19.773 10.921 1.00 0.00 H new ATOM 1014 N ARG A 81 -7.204 -21.615 8.600 1.00 0.00 N ATOM 1015 CA ARG A 81 -6.868 -22.807 7.749 1.00 0.00 C ATOM 1016 C ARG A 81 -5.424 -23.250 7.944 1.00 0.00 C ATOM 1017 O ARG A 81 -4.718 -22.526 8.622 1.00 0.00 O ATOM 1018 CB ARG A 81 -7.229 -22.447 6.254 1.00 0.00 C ATOM 1019 CG ARG A 81 -6.808 -21.047 5.920 1.00 0.00 C ATOM 1020 CD ARG A 81 -7.766 -20.443 4.867 1.00 0.00 C ATOM 1021 NE ARG A 81 -9.110 -20.223 5.530 1.00 0.00 N ATOM 1022 CZ ARG A 81 -10.161 -20.900 5.225 1.00 0.00 C ATOM 1023 NH1 ARG A 81 -10.609 -20.960 4.041 1.00 0.00 N ATOM 1024 NH2 ARG A 81 -10.762 -21.523 6.124 1.00 0.00 N ATOM 0 H ARG A 81 -6.408 -21.104 8.981 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.457 -23.674 8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.739 -23.148 5.579 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.303 -22.554 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.811 -20.433 6.821 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.787 -21.047 5.537 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -7.370 -19.501 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.867 -21.114 4.014 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.185 -19.506 6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.133 -20.461 3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.445 -21.508 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -10.419 -21.491 7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -11.597 -22.064 5.899 1.00 0.00 H new ATOM 1038 N VAL A 82 -4.993 -24.358 7.401 1.00 0.00 N ATOM 1039 CA VAL A 82 -3.585 -24.762 7.682 1.00 0.00 C ATOM 1040 C VAL A 82 -2.477 -24.090 6.800 1.00 0.00 C ATOM 1041 O VAL A 82 -2.181 -22.905 6.855 1.00 0.00 O ATOM 1042 CB VAL A 82 -3.557 -26.363 7.587 1.00 0.00 C ATOM 1043 CG1 VAL A 82 -2.273 -26.851 8.188 1.00 0.00 C ATOM 1044 CG2 VAL A 82 -4.603 -26.989 8.397 1.00 0.00 C ATOM 0 H VAL A 82 -5.531 -24.980 6.798 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.316 -24.397 8.673 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.686 -26.617 6.535 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.236 -27.939 8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.431 -26.430 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.218 -26.539 9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.540 -28.073 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.468 -26.712 9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.580 -26.649 8.055 1.00 0.00 H new ATOM 1054 N GLY A 83 -1.961 -24.982 6.029 1.00 0.00 N ATOM 1055 CA GLY A 83 -0.874 -24.952 5.036 1.00 0.00 C ATOM 1056 C GLY A 83 -1.049 -26.379 4.565 1.00 0.00 C ATOM 1057 O GLY A 83 -0.801 -27.205 5.426 1.00 0.00 O ATOM 1058 OXT GLY A 83 -1.427 -26.557 3.425 1.00 0.00 O ATOM 0 H GLY A 83 -2.344 -25.927 6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.026 -24.214 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.106 -24.756 5.471 1.00 0.00 H new