USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.0593 USER MOD Single : A 13 MET CE :methyl 170:sc= -2.95! (180deg=-3.87!) USER MOD Single : A 17 ASN : amide:sc= -0.818 K(o=-0.82,f=-1.6) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -82:sc= 0.0573 USER MOD Single : A 24 LYS NZ :NH3+ -172:sc= -0.626 (180deg=-0.671) USER MOD Single : A 27 ASN : amide:sc= -5.29! C(o=-5.3!,f=-4.2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 172:sc= -9.38! (180deg=-9.88!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= -0.126 (180deg=-1.29!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 82 N ARG A 7 -0.433 1.833 -3.472 1.00 0.00 N ATOM 83 CA ARG A 7 0.507 1.141 -2.547 1.00 0.00 C ATOM 84 C ARG A 7 1.180 -0.049 -3.244 1.00 0.00 C ATOM 85 O ARG A 7 0.610 -0.656 -4.130 1.00 0.00 O ATOM 86 CB ARG A 7 -0.265 0.646 -1.322 1.00 0.00 C ATOM 87 CG ARG A 7 -0.418 1.796 -0.321 1.00 0.00 C ATOM 88 CD ARG A 7 -1.311 1.352 0.840 1.00 0.00 C ATOM 89 NE ARG A 7 -1.955 2.545 1.459 1.00 0.00 N ATOM 90 CZ ARG A 7 -1.424 3.101 2.514 1.00 0.00 C ATOM 91 NH1 ARG A 7 -1.407 2.462 3.651 1.00 0.00 N ATOM 92 NH2 ARG A 7 -0.910 4.299 2.434 1.00 0.00 N ATOM 0 HA ARG A 7 1.281 1.845 -2.242 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.246 0.276 -1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.262 -0.188 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.560 2.097 0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.852 2.666 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.073 0.659 0.482 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.719 0.818 1.584 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.811 2.927 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.809 1.527 3.716 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.992 2.898 4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.923 4.801 1.546 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.495 4.732 3.259 1.00 0.00 H new ATOM 106 N PRO A 8 2.380 -0.345 -2.804 1.00 0.00 N ATOM 107 CA PRO A 8 3.185 -1.457 -3.338 1.00 0.00 C ATOM 108 C PRO A 8 2.640 -2.799 -2.843 1.00 0.00 C ATOM 109 O PRO A 8 2.274 -2.949 -1.694 1.00 0.00 O ATOM 110 CB PRO A 8 4.584 -1.196 -2.766 1.00 0.00 C ATOM 111 CG PRO A 8 4.381 -0.306 -1.514 1.00 0.00 C ATOM 112 CD PRO A 8 3.042 0.415 -1.727 1.00 0.00 C ATOM 0 HA PRO A 8 3.175 -1.507 -4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.077 -2.132 -2.502 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.217 -0.697 -3.499 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.361 -0.908 -0.605 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.197 0.408 -1.405 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.443 0.417 -0.816 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.193 1.456 -2.011 1.00 0.00 H new ATOM 120 N LEU A 9 2.588 -3.775 -3.705 1.00 0.00 N ATOM 121 CA LEU A 9 2.071 -5.112 -3.293 1.00 0.00 C ATOM 122 C LEU A 9 3.230 -6.040 -2.945 1.00 0.00 C ATOM 123 O LEU A 9 4.388 -5.684 -3.039 1.00 0.00 O ATOM 124 CB LEU A 9 1.226 -5.725 -4.417 1.00 0.00 C ATOM 125 CG LEU A 9 1.879 -5.463 -5.774 1.00 0.00 C ATOM 126 CD1 LEU A 9 3.371 -5.766 -5.686 1.00 0.00 C ATOM 127 CD2 LEU A 9 1.235 -6.374 -6.825 1.00 0.00 C ATOM 0 H LEU A 9 2.882 -3.706 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 9 1.443 -4.986 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.120 -6.798 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.223 -5.300 -4.400 1.00 0.00 H new ATOM 0 HG LEU A 9 1.737 -4.419 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.838 -5.580 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.829 -5.125 -4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.514 -6.810 -5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.696 -6.192 -7.796 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.383 -7.416 -6.543 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.167 -6.162 -6.885 1.00 0.00 H new ATOM 139 N SER A 10 2.914 -7.226 -2.533 1.00 0.00 N ATOM 140 CA SER A 10 3.978 -8.203 -2.161 1.00 0.00 C ATOM 141 C SER A 10 4.408 -9.006 -3.391 1.00 0.00 C ATOM 142 O SER A 10 3.698 -9.101 -4.375 1.00 0.00 O ATOM 143 CB SER A 10 3.443 -9.155 -1.091 1.00 0.00 C ATOM 144 OG SER A 10 3.723 -8.621 0.196 1.00 0.00 O ATOM 0 H SER A 10 1.959 -7.570 -2.435 1.00 0.00 H new ATOM 0 HA SER A 10 4.840 -7.661 -1.772 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.369 -9.292 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 10 3.904 -10.137 -1.198 1.00 0.00 H new ATOM 0 HG SER A 10 3.380 -9.228 0.884 1.00 0.00 H new ATOM 150 N ALA A 11 5.574 -9.588 -3.334 1.00 0.00 N ATOM 151 CA ALA A 11 6.068 -10.394 -4.485 1.00 0.00 C ATOM 152 C ALA A 11 5.085 -11.533 -4.762 1.00 0.00 C ATOM 153 O ALA A 11 4.761 -11.827 -5.897 1.00 0.00 O ATOM 154 CB ALA A 11 7.443 -10.975 -4.152 1.00 0.00 C ATOM 0 H ALA A 11 6.208 -9.540 -2.537 1.00 0.00 H new ATOM 0 HA ALA A 11 6.150 -9.759 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.803 -11.564 -4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.142 -10.163 -3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.365 -11.612 -3.271 1.00 0.00 H new ATOM 160 N TYR A 12 4.600 -12.170 -3.731 1.00 0.00 N ATOM 161 CA TYR A 12 3.635 -13.277 -3.927 1.00 0.00 C ATOM 162 C TYR A 12 2.457 -12.765 -4.754 1.00 0.00 C ATOM 163 O TYR A 12 1.817 -13.507 -5.473 1.00 0.00 O ATOM 164 CB TYR A 12 3.151 -13.736 -2.558 1.00 0.00 C ATOM 165 CG TYR A 12 1.979 -14.674 -2.714 1.00 0.00 C ATOM 166 CD1 TYR A 12 2.046 -15.731 -3.628 1.00 0.00 C ATOM 167 CD2 TYR A 12 0.828 -14.491 -1.938 1.00 0.00 C ATOM 168 CE1 TYR A 12 0.962 -16.604 -3.769 1.00 0.00 C ATOM 169 CE2 TYR A 12 -0.256 -15.364 -2.079 1.00 0.00 C ATOM 170 CZ TYR A 12 -0.189 -16.421 -2.995 1.00 0.00 C ATOM 171 OH TYR A 12 -1.258 -17.283 -3.134 1.00 0.00 O ATOM 0 H TYR A 12 4.835 -11.967 -2.759 1.00 0.00 H new ATOM 0 HA TYR A 12 4.102 -14.111 -4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.960 -14.237 -2.026 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.860 -12.874 -1.958 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.935 -15.873 -4.225 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.777 -13.676 -1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.014 -17.419 -4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.144 -15.223 -1.481 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.976 -17.016 -2.522 1.00 0.00 H new ATOM 181 N MET A 13 2.174 -11.495 -4.662 1.00 0.00 N ATOM 182 CA MET A 13 1.050 -10.922 -5.441 1.00 0.00 C ATOM 183 C MET A 13 1.455 -10.830 -6.914 1.00 0.00 C ATOM 184 O MET A 13 0.679 -11.132 -7.796 1.00 0.00 O ATOM 185 CB MET A 13 0.733 -9.523 -4.913 1.00 0.00 C ATOM 186 CG MET A 13 0.145 -9.628 -3.504 1.00 0.00 C ATOM 187 SD MET A 13 -1.656 -9.468 -3.589 1.00 0.00 S ATOM 188 CE MET A 13 -1.960 -10.894 -4.661 1.00 0.00 C ATOM 0 H MET A 13 2.678 -10.829 -4.076 1.00 0.00 H new ATOM 0 HA MET A 13 0.170 -11.558 -5.342 1.00 0.00 H new ATOM 0 HB2 MET A 13 1.638 -8.916 -4.896 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.027 -9.024 -5.577 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.415 -10.584 -3.056 1.00 0.00 H new ATOM 0 HG3 MET A 13 0.560 -8.848 -2.866 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.031 -11.094 -4.705 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.589 -10.681 -5.664 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.444 -11.767 -4.261 1.00 0.00 H new ATOM 198 N LEU A 14 2.665 -10.418 -7.190 1.00 0.00 N ATOM 199 CA LEU A 14 3.098 -10.319 -8.617 1.00 0.00 C ATOM 200 C LEU A 14 2.864 -11.662 -9.294 1.00 0.00 C ATOM 201 O LEU A 14 2.154 -11.767 -10.273 1.00 0.00 O ATOM 202 CB LEU A 14 4.591 -9.980 -8.723 1.00 0.00 C ATOM 203 CG LEU A 14 4.990 -8.982 -7.637 1.00 0.00 C ATOM 204 CD1 LEU A 14 6.444 -8.556 -7.848 1.00 0.00 C ATOM 205 CD2 LEU A 14 4.091 -7.754 -7.732 1.00 0.00 C ATOM 0 H LEU A 14 3.365 -10.149 -6.499 1.00 0.00 H new ATOM 0 HA LEU A 14 2.522 -9.527 -9.097 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.184 -10.889 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.806 -9.562 -9.706 1.00 0.00 H new ATOM 0 HG LEU A 14 4.883 -9.446 -6.656 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.730 -7.844 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.091 -9.431 -7.793 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.548 -8.089 -8.827 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.371 -7.038 -6.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.207 -7.293 -8.713 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.052 -8.052 -7.591 1.00 0.00 H new ATOM 217 N TRP A 15 3.465 -12.691 -8.773 1.00 0.00 N ATOM 218 CA TRP A 15 3.293 -14.038 -9.373 1.00 0.00 C ATOM 219 C TRP A 15 1.802 -14.388 -9.402 1.00 0.00 C ATOM 220 O TRP A 15 1.324 -15.044 -10.307 1.00 0.00 O ATOM 221 CB TRP A 15 4.054 -15.055 -8.523 1.00 0.00 C ATOM 222 CG TRP A 15 3.748 -16.434 -8.999 1.00 0.00 C ATOM 223 CD1 TRP A 15 4.432 -17.096 -9.956 1.00 0.00 C ATOM 224 CD2 TRP A 15 2.693 -17.329 -8.553 1.00 0.00 C ATOM 225 NE1 TRP A 15 3.866 -18.346 -10.126 1.00 0.00 N ATOM 226 CE2 TRP A 15 2.789 -18.536 -9.283 1.00 0.00 C ATOM 227 CE3 TRP A 15 1.674 -17.210 -7.594 1.00 0.00 C ATOM 228 CZ2 TRP A 15 1.903 -19.591 -9.068 1.00 0.00 C ATOM 229 CZ3 TRP A 15 0.780 -18.267 -7.375 1.00 0.00 C ATOM 230 CH2 TRP A 15 0.893 -19.457 -8.111 1.00 0.00 C ATOM 0 H TRP A 15 4.071 -12.656 -7.953 1.00 0.00 H new ATOM 0 HA TRP A 15 3.682 -14.053 -10.391 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.126 -14.867 -8.586 1.00 0.00 H new ATOM 0 HB3 TRP A 15 3.773 -14.951 -7.475 1.00 0.00 H new ATOM 0 HD1 TRP A 15 5.282 -16.712 -10.500 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.202 -19.042 -10.792 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.579 -16.299 -7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 1.996 -20.505 -9.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.001 -18.165 -6.636 1.00 0.00 H new ATOM 0 HH2 TRP A 15 0.201 -20.268 -7.938 1.00 0.00 H new ATOM 241 N LEU A 16 1.068 -13.949 -8.416 1.00 0.00 N ATOM 242 CA LEU A 16 -0.393 -14.240 -8.372 1.00 0.00 C ATOM 243 C LEU A 16 -1.090 -13.617 -9.586 1.00 0.00 C ATOM 244 O LEU A 16 -2.038 -14.163 -10.116 1.00 0.00 O ATOM 245 CB LEU A 16 -0.980 -13.638 -7.093 1.00 0.00 C ATOM 246 CG LEU A 16 -1.719 -14.718 -6.307 1.00 0.00 C ATOM 247 CD1 LEU A 16 -2.967 -15.147 -7.080 1.00 0.00 C ATOM 248 CD2 LEU A 16 -0.800 -15.926 -6.116 1.00 0.00 C ATOM 0 H LEU A 16 1.421 -13.397 -7.634 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.547 -15.319 -8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.184 -13.211 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.662 -12.825 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.011 -14.324 -5.334 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.495 -15.918 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.622 -14.287 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.675 -15.542 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.326 -16.698 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.509 -16.320 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.091 -15.622 -5.567 1.00 0.00 H new ATOM 260 N ASN A 17 -0.637 -12.474 -10.026 1.00 0.00 N ATOM 261 CA ASN A 17 -1.280 -11.816 -11.193 1.00 0.00 C ATOM 262 C ASN A 17 -0.834 -12.493 -12.489 1.00 0.00 C ATOM 263 O ASN A 17 -1.374 -12.243 -13.549 1.00 0.00 O ATOM 264 CB ASN A 17 -0.885 -10.350 -11.221 1.00 0.00 C ATOM 265 CG ASN A 17 -0.900 -9.783 -9.798 1.00 0.00 C ATOM 266 OD1 ASN A 17 -1.702 -10.186 -8.979 1.00 0.00 O ATOM 267 ND2 ASN A 17 -0.040 -8.855 -9.467 1.00 0.00 N ATOM 0 H ASN A 17 0.153 -11.969 -9.625 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.363 -11.904 -11.104 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.108 -10.239 -11.656 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.574 -9.790 -11.853 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.043 -8.470 -8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.634 -8.516 -10.154 1.00 0.00 H new ATOM 274 N SER A 18 0.145 -13.351 -12.417 1.00 0.00 N ATOM 275 CA SER A 18 0.617 -14.044 -13.646 1.00 0.00 C ATOM 276 C SER A 18 0.046 -15.464 -13.677 1.00 0.00 C ATOM 277 O SER A 18 0.105 -16.146 -14.681 1.00 0.00 O ATOM 278 CB SER A 18 2.143 -14.094 -13.651 1.00 0.00 C ATOM 279 OG SER A 18 2.581 -15.428 -13.431 1.00 0.00 O ATOM 0 H SER A 18 0.638 -13.602 -11.560 1.00 0.00 H new ATOM 0 HA SER A 18 0.277 -13.501 -14.528 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.525 -13.728 -14.604 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.540 -13.438 -12.876 1.00 0.00 H new ATOM 0 HG SER A 18 3.561 -15.456 -13.436 1.00 0.00 H new ATOM 285 N ALA A 19 -0.506 -15.914 -12.583 1.00 0.00 N ATOM 286 CA ALA A 19 -1.080 -17.288 -12.546 1.00 0.00 C ATOM 287 C ALA A 19 -2.594 -17.209 -12.353 1.00 0.00 C ATOM 288 O ALA A 19 -3.275 -18.213 -12.322 1.00 0.00 O ATOM 289 CB ALA A 19 -0.467 -18.069 -11.381 1.00 0.00 C ATOM 0 H ALA A 19 -0.584 -15.388 -11.712 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.857 -17.793 -13.486 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.888 -19.074 -11.355 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.613 -18.131 -11.513 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.689 -17.559 -10.444 1.00 0.00 H new ATOM 295 N ARG A 20 -3.130 -16.027 -12.215 1.00 0.00 N ATOM 296 CA ARG A 20 -4.602 -15.904 -12.015 1.00 0.00 C ATOM 297 C ARG A 20 -5.337 -16.415 -13.252 1.00 0.00 C ATOM 298 O ARG A 20 -6.506 -16.742 -13.198 1.00 0.00 O ATOM 299 CB ARG A 20 -4.967 -14.438 -11.772 1.00 0.00 C ATOM 300 CG ARG A 20 -4.339 -13.569 -12.865 1.00 0.00 C ATOM 301 CD ARG A 20 -5.412 -12.671 -13.485 1.00 0.00 C ATOM 302 NE ARG A 20 -6.304 -12.147 -12.412 1.00 0.00 N ATOM 303 CZ ARG A 20 -7.243 -11.289 -12.704 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.147 -10.557 -13.781 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.278 -11.160 -11.918 1.00 0.00 N ATOM 0 H ARG A 20 -2.616 -15.146 -12.232 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.896 -16.499 -11.151 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.050 -14.317 -11.773 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.612 -14.121 -10.791 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.539 -12.960 -12.445 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.890 -14.200 -13.632 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.945 -11.844 -14.020 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.995 -13.233 -14.214 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.180 -12.459 -11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.338 -10.656 -14.394 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.881 -9.886 -14.009 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.353 -11.730 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.012 -10.489 -12.147 1.00 0.00 H new ATOM 319 N GLU A 21 -4.667 -16.493 -14.368 1.00 0.00 N ATOM 320 CA GLU A 21 -5.340 -16.991 -15.597 1.00 0.00 C ATOM 321 C GLU A 21 -5.382 -18.515 -15.554 1.00 0.00 C ATOM 322 O GLU A 21 -6.435 -19.116 -15.475 1.00 0.00 O ATOM 323 CB GLU A 21 -4.562 -16.532 -16.831 1.00 0.00 C ATOM 324 CG GLU A 21 -5.534 -15.969 -17.868 1.00 0.00 C ATOM 325 CD GLU A 21 -5.026 -16.295 -19.274 1.00 0.00 C ATOM 326 OE1 GLU A 21 -3.937 -15.857 -19.604 1.00 0.00 O ATOM 327 OE2 GLU A 21 -5.736 -16.976 -19.996 1.00 0.00 O ATOM 0 H GLU A 21 -3.687 -16.234 -14.481 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.354 -16.595 -15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.832 -15.772 -16.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.006 -17.368 -17.255 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.526 -16.395 -17.721 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.629 -14.890 -17.745 1.00 0.00 H new ATOM 334 N SER A 22 -4.245 -19.143 -15.589 1.00 0.00 N ATOM 335 CA SER A 22 -4.220 -20.629 -15.533 1.00 0.00 C ATOM 336 C SER A 22 -4.828 -21.081 -14.205 1.00 0.00 C ATOM 337 O SER A 22 -5.164 -22.234 -14.024 1.00 0.00 O ATOM 338 CB SER A 22 -2.777 -21.122 -15.631 1.00 0.00 C ATOM 339 OG SER A 22 -2.777 -22.516 -15.910 1.00 0.00 O ATOM 0 H SER A 22 -3.332 -18.694 -15.654 1.00 0.00 H new ATOM 0 HA SER A 22 -4.794 -21.041 -16.363 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.248 -20.582 -16.416 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.249 -20.926 -14.698 1.00 0.00 H new ATOM 0 HG SER A 22 -2.906 -23.016 -15.077 1.00 0.00 H new ATOM 345 N ILE A 23 -4.980 -20.175 -13.275 1.00 0.00 N ATOM 346 CA ILE A 23 -5.574 -20.546 -11.963 1.00 0.00 C ATOM 347 C ILE A 23 -7.097 -20.551 -12.092 1.00 0.00 C ATOM 348 O ILE A 23 -7.758 -21.507 -11.736 1.00 0.00 O ATOM 349 CB ILE A 23 -5.142 -19.521 -10.905 1.00 0.00 C ATOM 350 CG1 ILE A 23 -3.755 -19.894 -10.378 1.00 0.00 C ATOM 351 CG2 ILE A 23 -6.139 -19.508 -9.741 1.00 0.00 C ATOM 352 CD1 ILE A 23 -3.266 -18.810 -9.415 1.00 0.00 C ATOM 0 H ILE A 23 -4.717 -19.194 -13.370 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.232 -21.536 -11.662 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.114 -18.531 -11.360 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.795 -20.857 -9.869 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.056 -20.001 -11.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.821 -18.777 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.128 -19.241 -10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.178 -20.497 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.278 -19.076 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.211 -17.856 -9.939 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.961 -18.725 -8.579 1.00 0.00 H new ATOM 364 N LYS A 24 -7.660 -19.487 -12.592 1.00 0.00 N ATOM 365 CA LYS A 24 -9.132 -19.429 -12.732 1.00 0.00 C ATOM 366 C LYS A 24 -9.590 -20.469 -13.756 1.00 0.00 C ATOM 367 O LYS A 24 -10.717 -20.924 -13.733 1.00 0.00 O ATOM 368 CB LYS A 24 -9.512 -18.033 -13.208 1.00 0.00 C ATOM 369 CG LYS A 24 -9.644 -17.105 -12.003 1.00 0.00 C ATOM 370 CD LYS A 24 -10.239 -15.769 -12.449 1.00 0.00 C ATOM 371 CE LYS A 24 -9.306 -15.109 -13.464 1.00 0.00 C ATOM 372 NZ LYS A 24 -9.206 -13.652 -13.172 1.00 0.00 N ATOM 0 H LYS A 24 -7.160 -18.657 -12.909 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.612 -19.642 -11.777 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.755 -17.652 -13.893 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.452 -18.068 -13.759 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.280 -17.563 -11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.668 -16.945 -11.545 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.222 -15.926 -12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.378 -15.115 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.319 -15.568 -13.419 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -9.683 -15.263 -14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.684 -13.180 -13.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.161 -13.246 -13.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.704 -13.512 -12.272 1.00 0.00 H new ATOM 386 N ARG A 25 -8.723 -20.850 -14.656 1.00 0.00 N ATOM 387 CA ARG A 25 -9.104 -21.860 -15.680 1.00 0.00 C ATOM 388 C ARG A 25 -8.957 -23.262 -15.088 1.00 0.00 C ATOM 389 O ARG A 25 -9.928 -23.958 -14.867 1.00 0.00 O ATOM 390 CB ARG A 25 -8.187 -21.721 -16.898 1.00 0.00 C ATOM 391 CG ARG A 25 -8.685 -20.581 -17.788 1.00 0.00 C ATOM 392 CD ARG A 25 -8.196 -20.791 -19.209 1.00 0.00 C ATOM 393 NE ARG A 25 -9.227 -21.527 -19.993 1.00 0.00 N ATOM 394 CZ ARG A 25 -9.404 -21.252 -21.255 1.00 0.00 C ATOM 395 NH1 ARG A 25 -8.409 -20.800 -21.970 1.00 0.00 N ATOM 396 NH2 ARG A 25 -10.575 -21.431 -21.805 1.00 0.00 N ATOM 0 H ARG A 25 -7.766 -20.503 -14.724 1.00 0.00 H new ATOM 0 HA ARG A 25 -10.138 -21.700 -15.984 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.165 -21.524 -16.575 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.169 -22.654 -17.461 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.774 -20.542 -17.770 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.325 -19.625 -17.407 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.987 -19.829 -19.678 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.261 -21.352 -19.203 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.794 -22.246 -19.543 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.494 -20.662 -21.541 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.547 -20.585 -22.957 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.352 -21.786 -21.247 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.713 -21.216 -22.792 1.00 0.00 H new ATOM 410 N GLU A 26 -7.748 -23.683 -14.829 1.00 0.00 N ATOM 411 CA GLU A 26 -7.540 -25.041 -14.251 1.00 0.00 C ATOM 412 C GLU A 26 -8.534 -25.264 -13.110 1.00 0.00 C ATOM 413 O GLU A 26 -8.920 -26.379 -12.820 1.00 0.00 O ATOM 414 CB GLU A 26 -6.113 -25.154 -13.710 1.00 0.00 C ATOM 415 CG GLU A 26 -5.199 -25.724 -14.798 1.00 0.00 C ATOM 416 CD GLU A 26 -3.818 -26.009 -14.205 1.00 0.00 C ATOM 417 OE1 GLU A 26 -3.638 -27.089 -13.668 1.00 0.00 O ATOM 418 OE2 GLU A 26 -2.965 -25.143 -14.297 1.00 0.00 O ATOM 0 H GLU A 26 -6.897 -23.146 -14.993 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.696 -25.793 -15.025 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.754 -24.175 -13.394 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.096 -25.798 -12.831 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.628 -26.640 -15.205 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.114 -25.017 -15.623 1.00 0.00 H new ATOM 425 N ASN A 27 -8.949 -24.212 -12.461 1.00 0.00 N ATOM 426 CA ASN A 27 -9.914 -24.361 -11.339 1.00 0.00 C ATOM 427 C ASN A 27 -11.345 -24.265 -11.876 1.00 0.00 C ATOM 428 O ASN A 27 -11.605 -23.553 -12.825 1.00 0.00 O ATOM 429 CB ASN A 27 -9.679 -23.250 -10.312 1.00 0.00 C ATOM 430 CG ASN A 27 -8.238 -23.321 -9.803 1.00 0.00 C ATOM 431 OD1 ASN A 27 -7.648 -24.382 -9.760 1.00 0.00 O ATOM 432 ND2 ASN A 27 -7.643 -22.228 -9.411 1.00 0.00 N ATOM 0 H ASN A 27 -8.660 -23.254 -12.660 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.770 -25.332 -10.865 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.869 -22.276 -10.764 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.375 -23.356 -9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.683 -22.265 -9.069 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -8.138 -21.337 -9.447 1.00 0.00 H new ATOM 439 N PRO A 28 -12.230 -24.986 -11.240 1.00 0.00 N ATOM 440 CA PRO A 28 -13.651 -25.015 -11.611 1.00 0.00 C ATOM 441 C PRO A 28 -14.358 -23.758 -11.111 1.00 0.00 C ATOM 442 O PRO A 28 -15.145 -23.812 -10.187 1.00 0.00 O ATOM 443 CB PRO A 28 -14.189 -26.247 -10.904 1.00 0.00 C ATOM 444 CG PRO A 28 -13.223 -26.537 -9.750 1.00 0.00 C ATOM 445 CD PRO A 28 -11.896 -25.842 -10.088 1.00 0.00 C ATOM 0 HA PRO A 28 -13.806 -25.048 -12.689 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -15.198 -26.072 -10.531 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -14.244 -27.094 -11.587 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.625 -26.163 -8.808 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.076 -27.610 -9.631 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.527 -25.255 -9.247 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.119 -26.564 -10.338 1.00 0.00 H new ATOM 453 N GLY A 29 -14.078 -22.622 -11.694 1.00 0.00 N ATOM 454 CA GLY A 29 -14.734 -21.376 -11.210 1.00 0.00 C ATOM 455 C GLY A 29 -14.632 -21.358 -9.688 1.00 0.00 C ATOM 456 O GLY A 29 -15.461 -20.798 -8.997 1.00 0.00 O ATOM 0 H GLY A 29 -13.432 -22.505 -12.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -14.248 -20.498 -11.636 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.778 -21.347 -11.524 1.00 0.00 H new ATOM 460 N ILE A 30 -13.618 -21.997 -9.171 1.00 0.00 N ATOM 461 CA ILE A 30 -13.422 -22.068 -7.702 1.00 0.00 C ATOM 462 C ILE A 30 -13.806 -20.745 -7.043 1.00 0.00 C ATOM 463 O ILE A 30 -13.753 -19.694 -7.651 1.00 0.00 O ATOM 464 CB ILE A 30 -11.961 -22.371 -7.437 1.00 0.00 C ATOM 465 CG1 ILE A 30 -11.711 -22.482 -5.932 1.00 0.00 C ATOM 466 CG2 ILE A 30 -11.141 -21.237 -8.011 1.00 0.00 C ATOM 467 CD1 ILE A 30 -10.215 -22.683 -5.682 1.00 0.00 C ATOM 0 H ILE A 30 -12.906 -22.481 -9.718 1.00 0.00 H new ATOM 0 HA ILE A 30 -14.057 -22.849 -7.283 1.00 0.00 H new ATOM 0 HB ILE A 30 -11.682 -23.317 -7.900 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -12.058 -21.581 -5.427 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -12.276 -23.317 -5.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.082 -21.428 -7.835 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.323 -21.163 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.426 -20.302 -7.529 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.033 -22.763 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.883 -23.597 -6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -9.662 -21.833 -6.082 1.00 0.00 H new ATOM 479 N LYS A 31 -14.190 -20.791 -5.798 1.00 0.00 N ATOM 480 CA LYS A 31 -14.579 -19.541 -5.089 1.00 0.00 C ATOM 481 C LYS A 31 -13.461 -18.506 -5.226 1.00 0.00 C ATOM 482 O LYS A 31 -12.349 -18.823 -5.598 1.00 0.00 O ATOM 483 CB LYS A 31 -14.809 -19.846 -3.609 1.00 0.00 C ATOM 484 CG LYS A 31 -16.298 -19.719 -3.291 1.00 0.00 C ATOM 485 CD LYS A 31 -17.104 -20.539 -4.301 1.00 0.00 C ATOM 486 CE LYS A 31 -17.988 -21.540 -3.557 1.00 0.00 C ATOM 487 NZ LYS A 31 -18.962 -22.145 -4.510 1.00 0.00 N ATOM 0 H LYS A 31 -14.251 -21.643 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.496 -19.146 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -14.460 -20.852 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -14.234 -19.157 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.496 -20.071 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.602 -18.673 -3.330 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -17.719 -19.879 -4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -16.431 -21.065 -4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.374 -22.318 -3.105 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.518 -21.041 -2.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.564 -22.826 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -19.556 -21.397 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -18.447 -22.635 -5.269 1.00 0.00 H new ATOM 501 N VAL A 32 -13.748 -17.270 -4.921 1.00 0.00 N ATOM 502 CA VAL A 32 -12.718 -16.218 -5.026 1.00 0.00 C ATOM 503 C VAL A 32 -11.810 -16.281 -3.791 1.00 0.00 C ATOM 504 O VAL A 32 -10.638 -15.972 -3.853 1.00 0.00 O ATOM 505 CB VAL A 32 -13.407 -14.858 -5.122 1.00 0.00 C ATOM 506 CG1 VAL A 32 -14.632 -14.855 -4.232 1.00 0.00 C ATOM 507 CG2 VAL A 32 -12.460 -13.764 -4.660 1.00 0.00 C ATOM 0 H VAL A 32 -14.662 -16.949 -4.602 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.108 -16.368 -5.917 1.00 0.00 H new ATOM 0 HB VAL A 32 -13.695 -14.676 -6.157 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.127 -13.886 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.319 -15.636 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.333 -15.041 -3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.958 -12.797 -4.731 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.170 -13.947 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -11.571 -13.762 -5.291 1.00 0.00 H new ATOM 517 N THR A 33 -12.349 -16.683 -2.671 1.00 0.00 N ATOM 518 CA THR A 33 -11.522 -16.770 -1.435 1.00 0.00 C ATOM 519 C THR A 33 -10.631 -18.012 -1.504 1.00 0.00 C ATOM 520 O THR A 33 -9.588 -18.076 -0.882 1.00 0.00 O ATOM 521 CB THR A 33 -12.440 -16.865 -0.213 1.00 0.00 C ATOM 522 OG1 THR A 33 -13.237 -18.037 -0.312 1.00 0.00 O ATOM 523 CG2 THR A 33 -13.346 -15.631 -0.155 1.00 0.00 C ATOM 0 H THR A 33 -13.326 -16.955 -2.560 1.00 0.00 H new ATOM 0 HA THR A 33 -10.898 -15.880 -1.351 1.00 0.00 H new ATOM 0 HB THR A 33 -11.836 -16.912 0.693 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.824 -18.100 0.470 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.999 -15.700 0.715 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.733 -14.733 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 33 -13.951 -15.581 -1.060 1.00 0.00 H new ATOM 531 N GLU A 34 -11.031 -19.001 -2.257 1.00 0.00 N ATOM 532 CA GLU A 34 -10.204 -20.237 -2.367 1.00 0.00 C ATOM 533 C GLU A 34 -9.303 -20.140 -3.600 1.00 0.00 C ATOM 534 O GLU A 34 -8.629 -21.083 -3.964 1.00 0.00 O ATOM 535 CB GLU A 34 -11.121 -21.455 -2.499 1.00 0.00 C ATOM 536 CG GLU A 34 -11.548 -21.925 -1.107 1.00 0.00 C ATOM 537 CD GLU A 34 -12.571 -23.055 -1.239 1.00 0.00 C ATOM 538 OE1 GLU A 34 -12.399 -23.883 -2.118 1.00 0.00 O ATOM 539 OE2 GLU A 34 -13.508 -23.073 -0.459 1.00 0.00 O ATOM 0 H GLU A 34 -11.894 -19.007 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.588 -20.342 -1.474 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -11.998 -21.200 -3.094 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.603 -22.258 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.679 -22.271 -0.546 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.979 -21.094 -0.548 1.00 0.00 H new ATOM 546 N VAL A 35 -9.284 -19.006 -4.248 1.00 0.00 N ATOM 547 CA VAL A 35 -8.427 -18.851 -5.456 1.00 0.00 C ATOM 548 C VAL A 35 -6.991 -18.540 -5.028 1.00 0.00 C ATOM 549 O VAL A 35 -6.041 -18.972 -5.651 1.00 0.00 O ATOM 550 CB VAL A 35 -8.970 -17.714 -6.321 1.00 0.00 C ATOM 551 CG1 VAL A 35 -7.906 -17.277 -7.333 1.00 0.00 C ATOM 552 CG2 VAL A 35 -10.214 -18.193 -7.074 1.00 0.00 C ATOM 0 H VAL A 35 -9.826 -18.181 -3.992 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.435 -19.776 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.229 -16.871 -5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.299 -16.466 -7.947 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.018 -16.933 -6.802 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.643 -18.120 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.601 -17.382 -7.691 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.951 -19.039 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.977 -18.500 -6.358 1.00 0.00 H new ATOM 562 N ALA A 36 -6.823 -17.795 -3.973 1.00 0.00 N ATOM 563 CA ALA A 36 -5.447 -17.459 -3.510 1.00 0.00 C ATOM 564 C ALA A 36 -4.855 -18.654 -2.762 1.00 0.00 C ATOM 565 O ALA A 36 -3.655 -18.825 -2.696 1.00 0.00 O ATOM 566 CB ALA A 36 -5.501 -16.248 -2.576 1.00 0.00 C ATOM 0 H ALA A 36 -7.578 -17.404 -3.410 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.823 -17.223 -4.372 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.494 -16.004 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.922 -15.396 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.126 -16.481 -1.714 1.00 0.00 H new ATOM 572 N LYS A 37 -5.690 -19.485 -2.198 1.00 0.00 N ATOM 573 CA LYS A 37 -5.179 -20.667 -1.456 1.00 0.00 C ATOM 574 C LYS A 37 -4.481 -21.619 -2.432 1.00 0.00 C ATOM 575 O LYS A 37 -3.370 -22.054 -2.205 1.00 0.00 O ATOM 576 CB LYS A 37 -6.356 -21.359 -0.769 1.00 0.00 C ATOM 577 CG LYS A 37 -6.087 -22.859 -0.601 1.00 0.00 C ATOM 578 CD LYS A 37 -7.209 -23.493 0.223 1.00 0.00 C ATOM 579 CE LYS A 37 -6.677 -23.869 1.608 1.00 0.00 C ATOM 580 NZ LYS A 37 -7.048 -25.279 1.917 1.00 0.00 N ATOM 0 H LYS A 37 -6.706 -19.394 -2.221 1.00 0.00 H new ATOM 0 HA LYS A 37 -4.455 -20.360 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.531 -20.905 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.263 -21.212 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.024 -23.339 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -5.128 -23.014 -0.107 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.042 -22.797 0.319 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.591 -24.379 -0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.594 -23.752 1.637 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.090 -23.199 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.687 -25.535 2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.083 -25.376 1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.633 -25.912 1.203 1.00 0.00 H new ATOM 594 N ARG A 38 -5.128 -21.943 -3.514 1.00 0.00 N ATOM 595 CA ARG A 38 -4.509 -22.866 -4.506 1.00 0.00 C ATOM 596 C ARG A 38 -3.247 -22.224 -5.088 1.00 0.00 C ATOM 597 O ARG A 38 -2.263 -22.889 -5.344 1.00 0.00 O ATOM 598 CB ARG A 38 -5.507 -23.142 -5.631 1.00 0.00 C ATOM 599 CG ARG A 38 -5.674 -24.653 -5.804 1.00 0.00 C ATOM 600 CD ARG A 38 -6.183 -25.263 -4.497 1.00 0.00 C ATOM 601 NE ARG A 38 -7.216 -26.292 -4.798 1.00 0.00 N ATOM 602 CZ ARG A 38 -6.912 -27.560 -4.741 1.00 0.00 C ATOM 603 NH1 ARG A 38 -6.854 -28.164 -3.586 1.00 0.00 N ATOM 604 NH2 ARG A 38 -6.666 -28.223 -5.838 1.00 0.00 N ATOM 0 H ARG A 38 -6.061 -21.609 -3.756 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.243 -23.802 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.468 -22.683 -5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.156 -22.695 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.375 -24.862 -6.612 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.722 -25.105 -6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.356 -25.712 -3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.604 -24.485 -3.860 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.162 -26.006 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.046 -27.645 -2.729 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.617 -29.155 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.711 -27.750 -6.741 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.428 -29.214 -5.793 1.00 0.00 H new ATOM 618 N GLY A 39 -3.268 -20.937 -5.298 1.00 0.00 N ATOM 619 CA GLY A 39 -2.070 -20.255 -5.863 1.00 0.00 C ATOM 620 C GLY A 39 -0.905 -20.362 -4.878 1.00 0.00 C ATOM 621 O GLY A 39 0.243 -20.457 -5.266 1.00 0.00 O ATOM 0 H GLY A 39 -4.063 -20.328 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.797 -20.709 -6.816 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.296 -19.207 -6.062 1.00 0.00 H new ATOM 625 N GLY A 40 -1.191 -20.348 -3.605 1.00 0.00 N ATOM 626 CA GLY A 40 -0.099 -20.447 -2.594 1.00 0.00 C ATOM 627 C GLY A 40 0.597 -21.803 -2.715 1.00 0.00 C ATOM 628 O GLY A 40 1.769 -21.936 -2.424 1.00 0.00 O ATOM 0 H GLY A 40 -2.133 -20.272 -3.221 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.622 -19.643 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.508 -20.326 -1.591 1.00 0.00 H new ATOM 632 N GLU A 41 -0.111 -22.812 -3.143 1.00 0.00 N ATOM 633 CA GLU A 41 0.517 -24.156 -3.277 1.00 0.00 C ATOM 634 C GLU A 41 1.661 -24.087 -4.294 1.00 0.00 C ATOM 635 O GLU A 41 2.581 -24.879 -4.263 1.00 0.00 O ATOM 636 CB GLU A 41 -0.531 -25.167 -3.739 1.00 0.00 C ATOM 637 CG GLU A 41 -0.798 -25.002 -5.237 1.00 0.00 C ATOM 638 CD GLU A 41 -0.195 -26.186 -5.995 1.00 0.00 C ATOM 639 OE1 GLU A 41 0.908 -26.580 -5.656 1.00 0.00 O ATOM 640 OE2 GLU A 41 -0.848 -26.678 -6.900 1.00 0.00 O ATOM 0 H GLU A 41 -1.096 -22.764 -3.405 1.00 0.00 H new ATOM 0 HA GLU A 41 0.915 -24.470 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.186 -26.180 -3.533 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.456 -25.025 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.871 -24.946 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.364 -24.068 -5.594 1.00 0.00 H new ATOM 647 N LEU A 42 1.608 -23.146 -5.197 1.00 0.00 N ATOM 648 CA LEU A 42 2.683 -23.021 -6.213 1.00 0.00 C ATOM 649 C LEU A 42 3.708 -21.985 -5.748 1.00 0.00 C ATOM 650 O LEU A 42 4.894 -22.118 -5.981 1.00 0.00 O ATOM 651 CB LEU A 42 2.063 -22.565 -7.533 1.00 0.00 C ATOM 652 CG LEU A 42 1.408 -23.756 -8.233 1.00 0.00 C ATOM 653 CD1 LEU A 42 0.749 -23.286 -9.532 1.00 0.00 C ATOM 654 CD2 LEU A 42 2.472 -24.809 -8.555 1.00 0.00 C ATOM 0 H LEU A 42 0.860 -22.456 -5.272 1.00 0.00 H new ATOM 0 HA LEU A 42 3.179 -23.982 -6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.322 -21.787 -7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.829 -22.130 -8.175 1.00 0.00 H new ATOM 0 HG LEU A 42 0.653 -24.190 -7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.282 -24.135 -10.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.009 -22.537 -9.305 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.504 -22.851 -10.186 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.005 -25.658 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.228 -24.374 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.942 -25.145 -7.631 1.00 0.00 H new ATOM 666 N TRP A 43 3.255 -20.952 -5.095 1.00 0.00 N ATOM 667 CA TRP A 43 4.190 -19.895 -4.613 1.00 0.00 C ATOM 668 C TRP A 43 5.119 -20.474 -3.545 1.00 0.00 C ATOM 669 O TRP A 43 6.088 -19.856 -3.150 1.00 0.00 O ATOM 670 CB TRP A 43 3.377 -18.756 -4.002 1.00 0.00 C ATOM 671 CG TRP A 43 4.300 -17.793 -3.331 1.00 0.00 C ATOM 672 CD1 TRP A 43 4.567 -17.770 -2.005 1.00 0.00 C ATOM 673 CD2 TRP A 43 5.082 -16.719 -3.926 1.00 0.00 C ATOM 674 NE1 TRP A 43 5.463 -16.747 -1.748 1.00 0.00 N ATOM 675 CE2 TRP A 43 5.811 -16.072 -2.901 1.00 0.00 C ATOM 676 CE3 TRP A 43 5.228 -16.249 -5.243 1.00 0.00 C ATOM 677 CZ2 TRP A 43 6.655 -14.994 -3.174 1.00 0.00 C ATOM 678 CZ3 TRP A 43 6.077 -15.167 -5.521 1.00 0.00 C ATOM 679 CH2 TRP A 43 6.789 -14.540 -4.489 1.00 0.00 C ATOM 0 H TRP A 43 2.272 -20.793 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 43 4.785 -19.527 -5.449 1.00 0.00 H new ATOM 0 HB2 TRP A 43 2.803 -18.247 -4.777 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.660 -19.151 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.149 -18.440 -1.268 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.822 -16.520 -0.821 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.683 -16.724 -6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 7.200 -14.514 -2.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.183 -14.815 -6.537 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.440 -13.707 -4.710 1.00 0.00 H new ATOM 690 N ARG A 44 4.825 -21.650 -3.066 1.00 0.00 N ATOM 691 CA ARG A 44 5.683 -22.264 -2.016 1.00 0.00 C ATOM 692 C ARG A 44 7.081 -22.531 -2.578 1.00 0.00 C ATOM 693 O ARG A 44 8.059 -21.962 -2.134 1.00 0.00 O ATOM 694 CB ARG A 44 5.059 -23.583 -1.555 1.00 0.00 C ATOM 695 CG ARG A 44 4.664 -23.474 -0.083 1.00 0.00 C ATOM 696 CD ARG A 44 4.081 -24.807 0.391 1.00 0.00 C ATOM 697 NE ARG A 44 4.462 -25.033 1.813 1.00 0.00 N ATOM 698 CZ ARG A 44 4.314 -26.212 2.350 1.00 0.00 C ATOM 699 NH1 ARG A 44 3.146 -26.585 2.795 1.00 0.00 N ATOM 700 NH2 ARG A 44 5.336 -27.020 2.441 1.00 0.00 N ATOM 0 H ARG A 44 4.026 -22.213 -3.357 1.00 0.00 H new ATOM 0 HA ARG A 44 5.760 -21.580 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.183 -23.814 -2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.767 -24.400 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.534 -23.211 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.932 -22.677 0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.996 -24.799 0.290 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.453 -25.621 -0.231 1.00 0.00 H new ATOM 0 HE ARG A 44 4.839 -24.264 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.348 -25.954 2.723 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.031 -27.507 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.249 -26.729 2.092 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.221 -27.942 2.861 1.00 0.00 H new ATOM 714 N ALA A 45 7.185 -23.394 -3.552 1.00 0.00 N ATOM 715 CA ALA A 45 8.524 -23.694 -4.138 1.00 0.00 C ATOM 716 C ALA A 45 9.179 -22.387 -4.582 1.00 0.00 C ATOM 717 O ALA A 45 10.387 -22.256 -4.586 1.00 0.00 O ATOM 718 CB ALA A 45 8.360 -24.619 -5.347 1.00 0.00 C ATOM 0 H ALA A 45 6.404 -23.903 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 45 9.149 -24.185 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.339 -24.837 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.886 -25.549 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.738 -24.131 -6.097 1.00 0.00 H new ATOM 724 N MET A 46 8.379 -21.429 -4.963 1.00 0.00 N ATOM 725 CA MET A 46 8.909 -20.110 -5.424 1.00 0.00 C ATOM 726 C MET A 46 10.222 -19.738 -4.714 1.00 0.00 C ATOM 727 O MET A 46 11.083 -19.130 -5.311 1.00 0.00 O ATOM 728 CB MET A 46 7.874 -19.035 -5.118 1.00 0.00 C ATOM 729 CG MET A 46 8.197 -17.773 -5.918 1.00 0.00 C ATOM 730 SD MET A 46 8.194 -18.161 -7.686 1.00 0.00 S ATOM 731 CE MET A 46 6.662 -17.300 -8.108 1.00 0.00 C ATOM 0 H MET A 46 7.362 -21.504 -4.975 1.00 0.00 H new ATOM 0 HA MET A 46 9.108 -20.181 -6.493 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.876 -19.393 -5.371 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.871 -18.811 -4.051 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.463 -16.996 -5.704 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.170 -17.382 -5.622 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.537 -17.289 -9.191 1.00 0.00 H new ATOM 0 HE2 MET A 46 5.817 -17.815 -7.650 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.707 -16.276 -7.738 1.00 0.00 H new ATOM 741 N LYS A 47 10.373 -20.111 -3.461 1.00 0.00 N ATOM 742 CA LYS A 47 11.607 -19.817 -2.681 1.00 0.00 C ATOM 743 C LYS A 47 12.394 -18.623 -3.245 1.00 0.00 C ATOM 744 O LYS A 47 12.291 -17.522 -2.742 1.00 0.00 O ATOM 745 CB LYS A 47 12.436 -21.082 -2.689 1.00 0.00 C ATOM 746 CG LYS A 47 13.302 -21.146 -1.429 1.00 0.00 C ATOM 747 CD LYS A 47 13.856 -22.562 -1.262 1.00 0.00 C ATOM 748 CE LYS A 47 15.259 -22.493 -0.658 1.00 0.00 C ATOM 749 NZ LYS A 47 16.276 -22.692 -1.731 1.00 0.00 N ATOM 0 H LYS A 47 9.664 -20.624 -2.937 1.00 0.00 H new ATOM 0 HA LYS A 47 11.344 -19.525 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.784 -21.954 -2.737 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.068 -21.107 -3.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.121 -20.430 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.712 -20.869 -0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.200 -23.147 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.889 -23.067 -2.227 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.410 -21.528 -0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.373 -23.257 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.230 -22.645 -1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.136 -23.623 -2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 16.172 -21.948 -2.450 1.00 0.00 H new ATOM 763 N ASP A 48 13.174 -18.813 -4.275 1.00 0.00 N ATOM 764 CA ASP A 48 13.939 -17.663 -4.832 1.00 0.00 C ATOM 765 C ASP A 48 13.003 -16.815 -5.697 1.00 0.00 C ATOM 766 O ASP A 48 12.941 -16.967 -6.901 1.00 0.00 O ATOM 767 CB ASP A 48 15.100 -18.180 -5.685 1.00 0.00 C ATOM 768 CG ASP A 48 16.254 -18.603 -4.773 1.00 0.00 C ATOM 769 OD1 ASP A 48 15.980 -19.036 -3.666 1.00 0.00 O ATOM 770 OD2 ASP A 48 17.392 -18.487 -5.198 1.00 0.00 O ATOM 0 H ASP A 48 13.313 -19.705 -4.750 1.00 0.00 H new ATOM 0 HA ASP A 48 14.338 -17.058 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.772 -19.025 -6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 48 15.433 -17.404 -6.374 1.00 0.00 H new ATOM 775 N LYS A 49 12.269 -15.927 -5.082 1.00 0.00 N ATOM 776 CA LYS A 49 11.324 -15.065 -5.850 1.00 0.00 C ATOM 777 C LYS A 49 12.035 -13.784 -6.289 1.00 0.00 C ATOM 778 O LYS A 49 11.407 -12.806 -6.634 1.00 0.00 O ATOM 779 CB LYS A 49 10.133 -14.703 -4.959 1.00 0.00 C ATOM 780 CG LYS A 49 9.829 -15.867 -4.012 1.00 0.00 C ATOM 781 CD LYS A 49 10.267 -15.502 -2.592 1.00 0.00 C ATOM 782 CE LYS A 49 9.738 -16.549 -1.610 1.00 0.00 C ATOM 783 NZ LYS A 49 9.696 -15.966 -0.240 1.00 0.00 N ATOM 0 H LYS A 49 12.283 -15.761 -4.076 1.00 0.00 H new ATOM 0 HA LYS A 49 10.976 -15.605 -6.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.355 -13.803 -4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.260 -14.483 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.763 -16.093 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.350 -16.765 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.354 -15.453 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.889 -14.515 -2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.742 -16.874 -1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.378 -17.431 -1.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.337 -16.677 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.654 -15.677 0.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.068 -15.137 -0.235 1.00 0.00 H new ATOM 797 N SER A 50 13.339 -13.779 -6.284 1.00 0.00 N ATOM 798 CA SER A 50 14.077 -12.553 -6.704 1.00 0.00 C ATOM 799 C SER A 50 13.442 -11.977 -7.972 1.00 0.00 C ATOM 800 O SER A 50 13.547 -10.798 -8.250 1.00 0.00 O ATOM 801 CB SER A 50 15.538 -12.904 -6.981 1.00 0.00 C ATOM 802 OG SER A 50 15.615 -13.714 -8.146 1.00 0.00 O ATOM 0 H SER A 50 13.925 -14.567 -6.008 1.00 0.00 H new ATOM 0 HA SER A 50 14.026 -11.812 -5.906 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.123 -11.994 -7.118 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.965 -13.432 -6.128 1.00 0.00 H new ATOM 0 HG SER A 50 16.552 -13.939 -8.327 1.00 0.00 H new ATOM 808 N GLU A 51 12.778 -12.795 -8.744 1.00 0.00 N ATOM 809 CA GLU A 51 12.135 -12.293 -9.987 1.00 0.00 C ATOM 810 C GLU A 51 11.104 -11.226 -9.630 1.00 0.00 C ATOM 811 O GLU A 51 11.250 -10.059 -9.942 1.00 0.00 O ATOM 812 CB GLU A 51 11.449 -13.449 -10.689 1.00 0.00 C ATOM 813 CG GLU A 51 10.432 -12.926 -11.708 1.00 0.00 C ATOM 814 CD GLU A 51 10.041 -14.055 -12.664 1.00 0.00 C ATOM 815 OE1 GLU A 51 10.797 -15.008 -12.765 1.00 0.00 O ATOM 816 OE2 GLU A 51 8.994 -13.947 -13.280 1.00 0.00 O ATOM 0 H GLU A 51 12.654 -13.791 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 51 12.888 -11.859 -10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.191 -14.070 -11.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 10.947 -14.082 -9.957 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.548 -12.548 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.857 -12.092 -12.267 1.00 0.00 H new ATOM 823 N TRP A 52 10.059 -11.634 -8.975 1.00 0.00 N ATOM 824 CA TRP A 52 8.995 -10.680 -8.582 1.00 0.00 C ATOM 825 C TRP A 52 9.555 -9.670 -7.596 1.00 0.00 C ATOM 826 O TRP A 52 9.411 -8.487 -7.775 1.00 0.00 O ATOM 827 CB TRP A 52 7.874 -11.452 -7.915 1.00 0.00 C ATOM 828 CG TRP A 52 7.529 -12.619 -8.750 1.00 0.00 C ATOM 829 CD1 TRP A 52 7.961 -13.854 -8.521 1.00 0.00 C ATOM 830 CD2 TRP A 52 6.692 -12.678 -9.930 1.00 0.00 C ATOM 831 NE1 TRP A 52 7.434 -14.698 -9.479 1.00 0.00 N ATOM 832 CE2 TRP A 52 6.639 -14.013 -10.376 1.00 0.00 C ATOM 833 CE3 TRP A 52 5.981 -11.710 -10.640 1.00 0.00 C ATOM 834 CZ2 TRP A 52 5.892 -14.378 -11.498 1.00 0.00 C ATOM 835 CZ3 TRP A 52 5.231 -12.059 -11.760 1.00 0.00 C ATOM 836 CH2 TRP A 52 5.179 -13.394 -12.194 1.00 0.00 C ATOM 0 H TRP A 52 9.896 -12.600 -8.692 1.00 0.00 H new ATOM 0 HA TRP A 52 8.624 -10.158 -9.464 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.181 -11.778 -6.921 1.00 0.00 H new ATOM 0 HB3 TRP A 52 7.002 -10.812 -7.785 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.618 -14.150 -7.716 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.610 -15.702 -9.519 1.00 0.00 H new ATOM 0 HE3 TRP A 52 6.013 -10.680 -10.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.864 -15.407 -11.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.686 -11.298 -12.299 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.592 -13.660 -13.060 1.00 0.00 H new ATOM 847 N GLU A 53 10.176 -10.139 -6.551 1.00 0.00 N ATOM 848 CA GLU A 53 10.747 -9.208 -5.528 1.00 0.00 C ATOM 849 C GLU A 53 11.296 -7.950 -6.209 1.00 0.00 C ATOM 850 O GLU A 53 10.871 -6.849 -5.924 1.00 0.00 O ATOM 851 CB GLU A 53 11.873 -9.911 -4.769 1.00 0.00 C ATOM 852 CG GLU A 53 11.291 -11.049 -3.928 1.00 0.00 C ATOM 853 CD GLU A 53 10.647 -10.473 -2.666 1.00 0.00 C ATOM 854 OE1 GLU A 53 9.820 -9.586 -2.798 1.00 0.00 O ATOM 855 OE2 GLU A 53 10.993 -10.928 -1.588 1.00 0.00 O ATOM 0 H GLU A 53 10.315 -11.131 -6.357 1.00 0.00 H new ATOM 0 HA GLU A 53 9.960 -8.920 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.609 -10.303 -5.471 1.00 0.00 H new ATOM 0 HB3 GLU A 53 12.392 -9.199 -4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.551 -11.602 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.077 -11.755 -3.658 1.00 0.00 H new ATOM 862 N ALA A 54 12.225 -8.098 -7.115 1.00 0.00 N ATOM 863 CA ALA A 54 12.772 -6.898 -7.809 1.00 0.00 C ATOM 864 C ALA A 54 11.627 -6.173 -8.517 1.00 0.00 C ATOM 865 O ALA A 54 11.542 -4.962 -8.512 1.00 0.00 O ATOM 866 CB ALA A 54 13.817 -7.332 -8.839 1.00 0.00 C ATOM 0 H ALA A 54 12.626 -8.991 -7.403 1.00 0.00 H new ATOM 0 HA ALA A 54 13.240 -6.233 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 54 14.216 -6.453 -9.345 1.00 0.00 H new ATOM 0 HB2 ALA A 54 14.627 -7.859 -8.335 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.354 -7.993 -9.571 1.00 0.00 H new ATOM 872 N LYS A 55 10.749 -6.916 -9.130 1.00 0.00 N ATOM 873 CA LYS A 55 9.602 -6.292 -9.850 1.00 0.00 C ATOM 874 C LYS A 55 8.819 -5.362 -8.914 1.00 0.00 C ATOM 875 O LYS A 55 8.392 -4.295 -9.306 1.00 0.00 O ATOM 876 CB LYS A 55 8.672 -7.394 -10.363 1.00 0.00 C ATOM 877 CG LYS A 55 7.443 -6.764 -11.024 1.00 0.00 C ATOM 878 CD LYS A 55 7.720 -6.538 -12.512 1.00 0.00 C ATOM 879 CE LYS A 55 7.176 -7.719 -13.319 1.00 0.00 C ATOM 880 NZ LYS A 55 6.064 -7.252 -14.195 1.00 0.00 N ATOM 0 H LYS A 55 10.776 -7.935 -9.164 1.00 0.00 H new ATOM 0 HA LYS A 55 9.986 -5.706 -10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.199 -8.024 -11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.364 -8.037 -9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.577 -7.414 -10.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.203 -5.817 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.251 -5.611 -12.843 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.792 -6.431 -12.681 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.970 -8.157 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.820 -8.500 -12.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.694 -8.054 -14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.303 -6.854 -13.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.418 -6.522 -14.845 1.00 0.00 H new ATOM 894 N ALA A 56 8.619 -5.756 -7.686 1.00 0.00 N ATOM 895 CA ALA A 56 7.856 -4.889 -6.746 1.00 0.00 C ATOM 896 C ALA A 56 8.598 -3.565 -6.570 1.00 0.00 C ATOM 897 O ALA A 56 8.001 -2.530 -6.345 1.00 0.00 O ATOM 898 CB ALA A 56 7.731 -5.587 -5.390 1.00 0.00 C ATOM 0 H ALA A 56 8.950 -6.638 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 56 6.860 -4.702 -7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.172 -4.951 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 56 7.206 -6.534 -5.515 1.00 0.00 H new ATOM 0 HB3 ALA A 56 8.725 -5.774 -4.984 1.00 0.00 H new ATOM 904 N ALA A 57 9.898 -3.592 -6.675 1.00 0.00 N ATOM 905 CA ALA A 57 10.687 -2.340 -6.519 1.00 0.00 C ATOM 906 C ALA A 57 10.049 -1.236 -7.357 1.00 0.00 C ATOM 907 O ALA A 57 9.829 -0.136 -6.892 1.00 0.00 O ATOM 908 CB ALA A 57 12.118 -2.582 -7.002 1.00 0.00 C ATOM 0 H ALA A 57 10.448 -4.430 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 57 10.701 -2.042 -5.471 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.700 -1.667 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.573 -3.376 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.103 -2.876 -8.052 1.00 0.00 H new ATOM 914 N LYS A 58 9.744 -1.523 -8.592 1.00 0.00 N ATOM 915 CA LYS A 58 9.118 -0.490 -9.459 1.00 0.00 C ATOM 916 C LYS A 58 7.983 0.186 -8.696 1.00 0.00 C ATOM 917 O LYS A 58 8.039 1.365 -8.417 1.00 0.00 O ATOM 918 CB LYS A 58 8.568 -1.145 -10.729 1.00 0.00 C ATOM 919 CG LYS A 58 9.697 -1.320 -11.744 1.00 0.00 C ATOM 920 CD LYS A 58 9.926 -0.001 -12.482 1.00 0.00 C ATOM 921 CE LYS A 58 11.381 0.439 -12.304 1.00 0.00 C ATOM 922 NZ LYS A 58 11.439 1.606 -11.380 1.00 0.00 N ATOM 0 H LYS A 58 9.901 -2.427 -9.037 1.00 0.00 H new ATOM 0 HA LYS A 58 9.865 0.254 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.127 -2.113 -10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.775 -0.530 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.611 -1.629 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.444 -2.107 -12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.698 -0.121 -13.541 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.254 0.765 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.974 -0.384 -11.905 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.812 0.704 -13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.199 2.249 -11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 10.530 2.111 -11.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.628 1.274 -10.413 1.00 0.00 H new ATOM 936 N ALA A 59 6.954 -0.540 -8.346 1.00 0.00 N ATOM 937 CA ALA A 59 5.838 0.099 -7.594 1.00 0.00 C ATOM 938 C ALA A 59 6.428 0.945 -6.480 1.00 0.00 C ATOM 939 O ALA A 59 5.940 2.005 -6.182 1.00 0.00 O ATOM 940 CB ALA A 59 4.924 -0.964 -6.973 1.00 0.00 C ATOM 0 H ALA A 59 6.839 -1.534 -8.545 1.00 0.00 H new ATOM 0 HA ALA A 59 5.252 0.710 -8.280 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.116 -0.476 -6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.505 -1.589 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.501 -1.584 -6.287 1.00 0.00 H new ATOM 946 N LYS A 60 7.481 0.482 -5.871 1.00 0.00 N ATOM 947 CA LYS A 60 8.113 1.251 -4.777 1.00 0.00 C ATOM 948 C LYS A 60 8.402 2.668 -5.239 1.00 0.00 C ATOM 949 O LYS A 60 7.921 3.622 -4.679 1.00 0.00 O ATOM 950 CB LYS A 60 9.425 0.571 -4.416 1.00 0.00 C ATOM 951 CG LYS A 60 9.580 0.507 -2.895 1.00 0.00 C ATOM 952 CD LYS A 60 11.058 0.328 -2.539 1.00 0.00 C ATOM 953 CE LYS A 60 11.198 0.111 -1.031 1.00 0.00 C ATOM 954 NZ LYS A 60 12.376 -0.760 -0.760 1.00 0.00 N ATOM 0 H LYS A 60 7.932 -0.406 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 60 7.445 1.287 -3.916 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.450 -0.435 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.260 1.119 -4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.194 1.419 -2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.996 -0.321 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.473 -0.523 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.626 1.207 -2.845 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.317 1.069 -0.525 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.293 -0.349 -0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.470 -0.907 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.245 -1.678 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.236 -0.304 -1.125 1.00 0.00 H new ATOM 968 N ASP A 61 9.207 2.813 -6.241 1.00 0.00 N ATOM 969 CA ASP A 61 9.545 4.183 -6.719 1.00 0.00 C ATOM 970 C ASP A 61 8.280 4.916 -7.171 1.00 0.00 C ATOM 971 O ASP A 61 8.034 6.039 -6.778 1.00 0.00 O ATOM 972 CB ASP A 61 10.533 4.085 -7.884 1.00 0.00 C ATOM 973 CG ASP A 61 11.948 4.373 -7.377 1.00 0.00 C ATOM 974 OD1 ASP A 61 12.464 3.562 -6.626 1.00 0.00 O ATOM 975 OD2 ASP A 61 12.491 5.400 -7.750 1.00 0.00 O ATOM 0 H ASP A 61 9.648 2.049 -6.753 1.00 0.00 H new ATOM 0 HA ASP A 61 9.998 4.744 -5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.490 3.091 -8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.263 4.796 -8.665 1.00 0.00 H new ATOM 980 N ASP A 62 7.470 4.300 -7.984 1.00 0.00 N ATOM 981 CA ASP A 62 6.223 4.975 -8.438 1.00 0.00 C ATOM 982 C ASP A 62 5.245 5.062 -7.266 1.00 0.00 C ATOM 983 O ASP A 62 4.186 5.644 -7.366 1.00 0.00 O ATOM 984 CB ASP A 62 5.591 4.153 -9.555 1.00 0.00 C ATOM 985 CG ASP A 62 6.488 4.195 -10.794 1.00 0.00 C ATOM 986 OD1 ASP A 62 7.530 3.563 -10.767 1.00 0.00 O ATOM 987 OD2 ASP A 62 6.116 4.858 -11.748 1.00 0.00 O ATOM 0 H ASP A 62 7.616 3.361 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 62 6.455 5.976 -8.800 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.453 3.122 -9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.603 4.546 -9.795 1.00 0.00 H new ATOM 992 N TYR A 63 5.590 4.463 -6.166 1.00 0.00 N ATOM 993 CA TYR A 63 4.695 4.470 -4.982 1.00 0.00 C ATOM 994 C TYR A 63 5.019 5.659 -4.079 1.00 0.00 C ATOM 995 O TYR A 63 4.176 6.483 -3.808 1.00 0.00 O ATOM 996 CB TYR A 63 4.926 3.164 -4.245 1.00 0.00 C ATOM 997 CG TYR A 63 4.394 3.228 -2.859 1.00 0.00 C ATOM 998 CD1 TYR A 63 3.139 3.770 -2.614 1.00 0.00 C ATOM 999 CD2 TYR A 63 5.154 2.704 -1.827 1.00 0.00 C ATOM 1000 CE1 TYR A 63 2.632 3.783 -1.315 1.00 0.00 C ATOM 1001 CE2 TYR A 63 4.662 2.713 -0.526 1.00 0.00 C ATOM 1002 CZ TYR A 63 3.394 3.250 -0.264 1.00 0.00 C ATOM 1003 OH TYR A 63 2.900 3.260 1.024 1.00 0.00 O ATOM 0 H TYR A 63 6.468 3.961 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 63 3.652 4.564 -5.283 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.445 2.349 -4.785 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.993 2.942 -4.218 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.558 4.180 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.129 2.288 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.656 4.202 -1.118 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.255 2.307 0.280 1.00 0.00 H new ATOM 0 HH TYR A 63 3.554 2.852 1.629 1.00 0.00 H new ATOM 1013 N ASP A 64 6.230 5.768 -3.617 1.00 0.00 N ATOM 1014 CA ASP A 64 6.580 6.919 -2.750 1.00 0.00 C ATOM 1015 C ASP A 64 6.493 8.183 -3.581 1.00 0.00 C ATOM 1016 O ASP A 64 6.124 9.242 -3.112 1.00 0.00 O ATOM 1017 CB ASP A 64 7.999 6.750 -2.255 1.00 0.00 C ATOM 1018 CG ASP A 64 8.262 7.709 -1.093 1.00 0.00 C ATOM 1019 OD1 ASP A 64 8.508 8.875 -1.357 1.00 0.00 O ATOM 1020 OD2 ASP A 64 8.216 7.261 0.040 1.00 0.00 O ATOM 0 H ASP A 64 6.989 5.112 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 64 5.900 6.976 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.161 5.721 -1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.702 6.945 -3.065 1.00 0.00 H new ATOM 1025 N ARG A 65 6.849 8.066 -4.822 1.00 0.00 N ATOM 1026 CA ARG A 65 6.818 9.243 -5.726 1.00 0.00 C ATOM 1027 C ARG A 65 5.379 9.573 -6.140 1.00 0.00 C ATOM 1028 O ARG A 65 5.001 10.725 -6.225 1.00 0.00 O ATOM 1029 CB ARG A 65 7.644 8.948 -6.979 1.00 0.00 C ATOM 1030 CG ARG A 65 9.125 8.838 -6.610 1.00 0.00 C ATOM 1031 CD ARG A 65 9.936 8.520 -7.866 1.00 0.00 C ATOM 1032 NE ARG A 65 11.364 8.887 -7.648 1.00 0.00 N ATOM 1033 CZ ARG A 65 12.133 9.146 -8.671 1.00 0.00 C ATOM 1034 NH1 ARG A 65 11.915 8.559 -9.816 1.00 0.00 N ATOM 1035 NH2 ARG A 65 13.120 9.991 -8.547 1.00 0.00 N ATOM 0 H ARG A 65 7.164 7.198 -5.255 1.00 0.00 H new ATOM 0 HA ARG A 65 7.237 10.097 -5.194 1.00 0.00 H new ATOM 0 HB2 ARG A 65 7.305 8.020 -7.439 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.501 9.740 -7.715 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.471 9.771 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.269 8.057 -5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.855 7.459 -8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.535 9.069 -8.718 1.00 0.00 H new ATOM 0 HE ARG A 65 11.740 8.936 -6.701 1.00 0.00 H new ATOM 0 HH11 ARG A 65 11.144 7.898 -9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.516 8.761 -10.615 1.00 0.00 H new ATOM 0 HH21 ARG A 65 13.290 10.449 -7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 65 13.721 10.194 -9.346 1.00 0.00 H new