USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 468 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 MET CE :methyl -160:sc= 0 (180deg=-0.0277) USER MOD Set 1.2: A 56 GLN : amide:sc= -3.73! C(o=-3.7!,f=-4!) USER MOD Set 2.1: A 33 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 36 MET CE :methyl 138:sc= -0.141 (180deg=-1.3) USER MOD Set 3.1: A 22 TYR OH : rot -173:sc= 1.18 USER MOD Set 3.2: A 55 HIS : no HD1:sc= -0.231 K(o=0.95,f=-4.5!) USER MOD Single : A 9 THR OG1 : rot 160:sc= -0.362 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -102:sc= -0.266 (180deg=-2.08!) USER MOD Single : A 25 HIS : no HE2:sc= -5.32! C(o=-5.3!,f=-5.5!) USER MOD Single : A 31 TYR OH : rot -97:sc= 1.22 USER MOD Single : A 32 SER OG : rot -27:sc= 0.166 USER MOD Single : A 40 MET CE :methyl 153:sc= -6.68! (180deg=-6.74!) USER MOD Single : A 41 ASN : amide:sc= -2.36 K(o=-2.4,f=-3.1!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00485) USER MOD Single : A 62 SER OG : rot -160:sc= -0.0383 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl 179:sc= -4.76 (180deg=-4.83) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 7.642 4.295 -4.566 1.00 0.00 N ATOM 67 CA LEU A 8 8.563 3.250 -4.136 1.00 0.00 C ATOM 68 C LEU A 8 8.082 1.878 -4.595 1.00 0.00 C ATOM 69 O LEU A 8 7.062 1.760 -5.276 1.00 0.00 O ATOM 70 CB LEU A 8 8.713 3.268 -2.613 1.00 0.00 C ATOM 71 CG LEU A 8 7.426 2.998 -1.833 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.108 1.511 -1.825 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.544 3.526 -0.411 1.00 0.00 C ATOM 0 HA LEU A 8 9.533 3.446 -4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.456 2.523 -2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.104 4.240 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 8 6.608 3.521 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.189 1.339 -1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.980 1.161 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.927 0.966 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.619 3.325 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.374 3.031 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.724 4.601 -0.436 1.00 0.00 H new ATOM 85 N THR A 9 8.822 0.840 -4.218 1.00 0.00 N ATOM 86 CA THR A 9 8.473 -0.525 -4.591 1.00 0.00 C ATOM 87 C THR A 9 7.953 -1.307 -3.391 1.00 0.00 C ATOM 88 O THR A 9 8.382 -1.085 -2.259 1.00 0.00 O ATOM 89 CB THR A 9 9.680 -1.270 -5.192 1.00 0.00 C ATOM 90 OG1 THR A 9 9.283 -2.574 -5.628 1.00 0.00 O ATOM 91 CG2 THR A 9 10.803 -1.389 -4.173 1.00 0.00 C ATOM 0 H THR A 9 9.668 0.919 -3.654 1.00 0.00 H new ATOM 0 HA THR A 9 7.688 -0.456 -5.344 1.00 0.00 H new ATOM 0 HB THR A 9 10.045 -0.698 -6.046 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.933 -2.913 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.645 -1.918 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.122 -0.393 -3.866 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.448 -1.941 -3.303 1.00 0.00 H new ATOM 99 N VAL A 10 7.027 -2.226 -3.645 1.00 0.00 N ATOM 100 CA VAL A 10 6.449 -3.044 -2.585 1.00 0.00 C ATOM 101 C VAL A 10 7.503 -3.430 -1.553 1.00 0.00 C ATOM 102 O VAL A 10 7.190 -3.652 -0.384 1.00 0.00 O ATOM 103 CB VAL A 10 5.807 -4.324 -3.150 1.00 0.00 C ATOM 104 CG1 VAL A 10 5.492 -5.304 -2.030 1.00 0.00 C ATOM 105 CG2 VAL A 10 4.553 -3.986 -3.942 1.00 0.00 C ATOM 0 H VAL A 10 6.661 -2.423 -4.576 1.00 0.00 H new ATOM 0 HA VAL A 10 5.678 -2.442 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 10 6.519 -4.799 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 10 5.039 -6.202 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.412 -5.571 -1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.799 -4.842 -1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 10 4.112 -4.903 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.835 -3.488 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.812 -3.325 -4.769 1.00 0.00 H new ATOM 115 N GLY A 11 8.755 -3.506 -1.994 1.00 0.00 N ATOM 116 CA GLY A 11 9.837 -3.865 -1.096 1.00 0.00 C ATOM 117 C GLY A 11 10.211 -2.735 -0.158 1.00 0.00 C ATOM 118 O GLY A 11 10.356 -2.941 1.047 1.00 0.00 O ATOM 0 H GLY A 11 9.039 -3.325 -2.957 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.545 -4.737 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.711 -4.152 -1.681 1.00 0.00 H new ATOM 122 N ASP A 12 10.369 -1.537 -0.711 1.00 0.00 N ATOM 123 CA ASP A 12 10.729 -0.369 0.085 1.00 0.00 C ATOM 124 C ASP A 12 9.777 -0.201 1.265 1.00 0.00 C ATOM 125 O ASP A 12 10.188 -0.285 2.423 1.00 0.00 O ATOM 126 CB ASP A 12 10.713 0.890 -0.783 1.00 0.00 C ATOM 127 CG ASP A 12 12.064 1.182 -1.405 1.00 0.00 C ATOM 128 OD1 ASP A 12 12.817 0.220 -1.666 1.00 0.00 O ATOM 129 OD2 ASP A 12 12.369 2.372 -1.631 1.00 0.00 O ATOM 0 H ASP A 12 10.253 -1.349 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 12 11.736 -0.521 0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.970 0.774 -1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 12 10.404 1.742 -0.177 1.00 0.00 H new ATOM 134 N TRP A 13 8.506 0.037 0.964 1.00 0.00 N ATOM 135 CA TRP A 13 7.496 0.218 2.000 1.00 0.00 C ATOM 136 C TRP A 13 7.527 -0.934 2.998 1.00 0.00 C ATOM 137 O TRP A 13 7.783 -0.734 4.185 1.00 0.00 O ATOM 138 CB TRP A 13 6.106 0.328 1.373 1.00 0.00 C ATOM 139 CG TRP A 13 5.054 -0.435 2.119 1.00 0.00 C ATOM 140 CD1 TRP A 13 4.643 -0.222 3.404 1.00 0.00 C ATOM 141 CD2 TRP A 13 4.283 -1.537 1.627 1.00 0.00 C ATOM 142 NE1 TRP A 13 3.662 -1.124 3.740 1.00 0.00 N ATOM 143 CE2 TRP A 13 3.423 -1.941 2.667 1.00 0.00 C ATOM 144 CE3 TRP A 13 4.234 -2.220 0.409 1.00 0.00 C ATOM 145 CZ2 TRP A 13 2.527 -2.997 2.523 1.00 0.00 C ATOM 146 CZ3 TRP A 13 3.344 -3.268 0.268 1.00 0.00 C ATOM 147 CH2 TRP A 13 2.500 -3.648 1.320 1.00 0.00 C ATOM 0 H TRP A 13 8.150 0.109 0.011 1.00 0.00 H new ATOM 0 HA TRP A 13 7.720 1.142 2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 13 5.818 1.378 1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 13 6.149 -0.036 0.346 1.00 0.00 H new ATOM 0 HD1 TRP A 13 5.032 0.543 4.060 1.00 0.00 H new ATOM 0 HE1 TRP A 13 3.189 -1.176 4.642 1.00 0.00 H new ATOM 0 HE3 TRP A 13 4.880 -1.934 -0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 1.876 -3.292 3.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.298 -3.803 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.815 -4.471 1.178 1.00 0.00 H new ATOM 158 N LEU A 14 7.265 -2.142 2.509 1.00 0.00 N ATOM 159 CA LEU A 14 7.264 -3.327 3.358 1.00 0.00 C ATOM 160 C LEU A 14 8.496 -3.355 4.256 1.00 0.00 C ATOM 161 O LEU A 14 8.393 -3.572 5.463 1.00 0.00 O ATOM 162 CB LEU A 14 7.213 -4.594 2.501 1.00 0.00 C ATOM 163 CG LEU A 14 5.841 -4.922 1.912 1.00 0.00 C ATOM 164 CD1 LEU A 14 5.943 -6.083 0.934 1.00 0.00 C ATOM 165 CD2 LEU A 14 4.849 -5.243 3.020 1.00 0.00 C ATOM 0 H LEU A 14 7.051 -2.326 1.529 1.00 0.00 H new ATOM 0 HA LEU A 14 6.377 -3.289 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.927 -4.491 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.542 -5.438 3.107 1.00 0.00 H new ATOM 0 HG LEU A 14 5.481 -4.047 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.957 -6.302 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.621 -5.817 0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.324 -6.963 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.878 -5.474 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.205 -6.102 3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.753 -4.383 3.683 1.00 0.00 H new ATOM 177 N ASP A 15 9.662 -3.134 3.658 1.00 0.00 N ATOM 178 CA ASP A 15 10.915 -3.133 4.402 1.00 0.00 C ATOM 179 C ASP A 15 10.815 -2.239 5.634 1.00 0.00 C ATOM 180 O ASP A 15 11.298 -2.592 6.710 1.00 0.00 O ATOM 181 CB ASP A 15 12.064 -2.663 3.508 1.00 0.00 C ATOM 182 CG ASP A 15 13.423 -3.033 4.069 1.00 0.00 C ATOM 183 OD1 ASP A 15 13.873 -2.365 5.023 1.00 0.00 O ATOM 184 OD2 ASP A 15 14.037 -3.990 3.553 1.00 0.00 O ATOM 0 H ASP A 15 9.765 -2.953 2.659 1.00 0.00 H new ATOM 0 HA ASP A 15 11.114 -4.153 4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.952 -3.102 2.517 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.007 -1.581 3.386 1.00 0.00 H new ATOM 189 N SER A 16 10.185 -1.080 5.469 1.00 0.00 N ATOM 190 CA SER A 16 10.025 -0.134 6.566 1.00 0.00 C ATOM 191 C SER A 16 9.419 -0.816 7.788 1.00 0.00 C ATOM 192 O SER A 16 9.921 -0.676 8.904 1.00 0.00 O ATOM 193 CB SER A 16 9.144 1.039 6.132 1.00 0.00 C ATOM 194 OG SER A 16 9.051 2.014 7.156 1.00 0.00 O ATOM 0 H SER A 16 9.777 -0.774 4.586 1.00 0.00 H new ATOM 0 HA SER A 16 11.012 0.243 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.555 1.493 5.230 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.148 0.676 5.880 1.00 0.00 H new ATOM 0 HG SER A 16 8.484 2.754 6.853 1.00 0.00 H new ATOM 200 N ILE A 17 8.336 -1.554 7.569 1.00 0.00 N ATOM 201 CA ILE A 17 7.661 -2.259 8.651 1.00 0.00 C ATOM 202 C ILE A 17 8.274 -3.637 8.877 1.00 0.00 C ATOM 203 O ILE A 17 7.670 -4.499 9.515 1.00 0.00 O ATOM 204 CB ILE A 17 6.156 -2.420 8.366 1.00 0.00 C ATOM 205 CG1 ILE A 17 5.942 -3.207 7.071 1.00 0.00 C ATOM 206 CG2 ILE A 17 5.484 -1.058 8.282 1.00 0.00 C ATOM 207 CD1 ILE A 17 4.486 -3.482 6.765 1.00 0.00 C ATOM 0 H ILE A 17 7.907 -1.679 6.652 1.00 0.00 H new ATOM 0 HA ILE A 17 7.790 -1.655 9.549 1.00 0.00 H new ATOM 0 HB ILE A 17 5.703 -2.976 9.187 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.381 -2.652 6.242 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.476 -4.155 7.139 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.421 -1.189 8.080 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.612 -0.530 9.227 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.937 -0.478 7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.410 -4.043 5.834 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.047 -4.063 7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 17 3.951 -2.538 6.665 1.00 0.00 H new ATOM 219 N ARG A 18 9.478 -3.835 8.351 1.00 0.00 N ATOM 220 CA ARG A 18 10.175 -5.108 8.496 1.00 0.00 C ATOM 221 C ARG A 18 9.360 -6.246 7.887 1.00 0.00 C ATOM 222 O ARG A 18 9.359 -7.365 8.399 1.00 0.00 O ATOM 223 CB ARG A 18 10.451 -5.398 9.972 1.00 0.00 C ATOM 224 CG ARG A 18 11.278 -4.324 10.659 1.00 0.00 C ATOM 225 CD ARG A 18 11.241 -4.475 12.172 1.00 0.00 C ATOM 226 NE ARG A 18 11.825 -3.321 12.852 1.00 0.00 N ATOM 227 CZ ARG A 18 12.286 -3.358 14.097 1.00 0.00 C ATOM 228 NH1 ARG A 18 12.233 -4.484 14.794 1.00 0.00 N ATOM 229 NH2 ARG A 18 12.804 -2.267 14.646 1.00 0.00 N ATOM 0 H ARG A 18 9.991 -3.131 7.821 1.00 0.00 H new ATOM 0 HA ARG A 18 11.123 -5.037 7.963 1.00 0.00 H new ATOM 0 HB2 ARG A 18 9.501 -5.504 10.496 1.00 0.00 H new ATOM 0 HB3 ARG A 18 10.970 -6.353 10.055 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.310 -4.380 10.312 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.901 -3.340 10.381 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.209 -4.604 12.498 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.781 -5.377 12.460 1.00 0.00 H new ATOM 0 HE ARG A 18 11.882 -2.439 12.343 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.837 -5.325 14.374 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.588 -4.509 15.750 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.848 -1.399 14.112 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.158 -2.296 15.602 1.00 0.00 H new ATOM 243 N MET A 19 8.668 -5.950 6.791 1.00 0.00 N ATOM 244 CA MET A 19 7.850 -6.949 6.112 1.00 0.00 C ATOM 245 C MET A 19 8.329 -7.161 4.679 1.00 0.00 C ATOM 246 O MET A 19 7.783 -7.985 3.948 1.00 0.00 O ATOM 247 CB MET A 19 6.381 -6.522 6.113 1.00 0.00 C ATOM 248 CG MET A 19 5.746 -6.534 7.494 1.00 0.00 C ATOM 249 SD MET A 19 5.438 -8.203 8.103 1.00 0.00 S ATOM 250 CE MET A 19 6.544 -8.259 9.511 1.00 0.00 C ATOM 0 H MET A 19 8.657 -5.028 6.355 1.00 0.00 H new ATOM 0 HA MET A 19 7.948 -7.891 6.652 1.00 0.00 H new ATOM 0 HB2 MET A 19 6.302 -5.519 5.695 1.00 0.00 H new ATOM 0 HB3 MET A 19 5.818 -7.186 5.457 1.00 0.00 H new ATOM 0 HG2 MET A 19 6.398 -6.011 8.194 1.00 0.00 H new ATOM 0 HG3 MET A 19 4.806 -5.984 7.462 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.440 -8.821 9.248 1.00 0.00 H new ATOM 0 HE2 MET A 19 6.823 -7.244 9.795 1.00 0.00 H new ATOM 0 HE3 MET A 19 6.043 -8.746 10.348 1.00 0.00 H new ATOM 260 N GLY A 20 9.354 -6.411 4.285 1.00 0.00 N ATOM 261 CA GLY A 20 9.888 -6.532 2.941 1.00 0.00 C ATOM 262 C GLY A 20 10.197 -7.968 2.567 1.00 0.00 C ATOM 263 O GLY A 20 10.282 -8.304 1.386 1.00 0.00 O ATOM 0 H GLY A 20 9.824 -5.722 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.171 -6.121 2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.796 -5.935 2.859 1.00 0.00 H new ATOM 267 N ARG A 21 10.366 -8.817 3.576 1.00 0.00 N ATOM 268 CA ARG A 21 10.670 -10.225 3.346 1.00 0.00 C ATOM 269 C ARG A 21 9.541 -10.907 2.580 1.00 0.00 C ATOM 270 O ARG A 21 9.765 -11.882 1.863 1.00 0.00 O ATOM 271 CB ARG A 21 10.903 -10.941 4.678 1.00 0.00 C ATOM 272 CG ARG A 21 9.620 -11.283 5.418 1.00 0.00 C ATOM 273 CD ARG A 21 9.903 -12.063 6.692 1.00 0.00 C ATOM 274 NE ARG A 21 10.517 -13.359 6.416 1.00 0.00 N ATOM 275 CZ ARG A 21 10.501 -14.377 7.269 1.00 0.00 C ATOM 276 NH1 ARG A 21 9.906 -14.249 8.447 1.00 0.00 N ATOM 277 NH2 ARG A 21 11.081 -15.525 6.945 1.00 0.00 N ATOM 0 H ARG A 21 10.298 -8.555 4.559 1.00 0.00 H new ATOM 0 HA ARG A 21 11.578 -10.282 2.746 1.00 0.00 H new ATOM 0 HB2 ARG A 21 11.462 -11.858 4.495 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.523 -10.311 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.084 -10.366 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.969 -11.868 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 21 10.562 -11.480 7.335 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.973 -12.212 7.240 1.00 0.00 H new ATOM 0 HE ARG A 21 10.984 -13.490 5.519 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.459 -13.367 8.700 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.895 -15.032 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.540 -15.627 6.040 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.068 -16.306 7.601 1.00 0.00 H new ATOM 291 N TYR A 22 8.329 -10.388 2.737 1.00 0.00 N ATOM 292 CA TYR A 22 7.164 -10.948 2.062 1.00 0.00 C ATOM 293 C TYR A 22 7.002 -10.351 0.667 1.00 0.00 C ATOM 294 O TYR A 22 6.197 -10.825 -0.133 1.00 0.00 O ATOM 295 CB TYR A 22 5.900 -10.696 2.886 1.00 0.00 C ATOM 296 CG TYR A 22 5.732 -11.653 4.045 1.00 0.00 C ATOM 297 CD1 TYR A 22 5.605 -13.020 3.829 1.00 0.00 C ATOM 298 CD2 TYR A 22 5.699 -11.191 5.354 1.00 0.00 C ATOM 299 CE1 TYR A 22 5.450 -13.899 4.883 1.00 0.00 C ATOM 300 CE2 TYR A 22 5.546 -12.063 6.415 1.00 0.00 C ATOM 301 CZ TYR A 22 5.422 -13.415 6.175 1.00 0.00 C ATOM 302 OH TYR A 22 5.268 -14.286 7.229 1.00 0.00 O ATOM 0 H TYR A 22 8.127 -9.580 3.326 1.00 0.00 H new ATOM 0 HA TYR A 22 7.317 -12.023 1.962 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.923 -9.676 3.269 1.00 0.00 H new ATOM 0 HB3 TYR A 22 5.030 -10.772 2.234 1.00 0.00 H new ATOM 0 HD1 TYR A 22 5.628 -13.402 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.795 -10.133 5.546 1.00 0.00 H new ATOM 0 HE1 TYR A 22 5.351 -14.958 4.697 1.00 0.00 H new ATOM 0 HE2 TYR A 22 5.524 -11.687 7.427 1.00 0.00 H new ATOM 0 HH TYR A 22 5.150 -13.778 8.059 1.00 0.00 H new ATOM 312 N ARG A 23 7.776 -9.308 0.385 1.00 0.00 N ATOM 313 CA ARG A 23 7.719 -8.644 -0.912 1.00 0.00 C ATOM 314 C ARG A 23 7.548 -9.662 -2.037 1.00 0.00 C ATOM 315 O ARG A 23 6.570 -9.619 -2.783 1.00 0.00 O ATOM 316 CB ARG A 23 8.987 -7.821 -1.144 1.00 0.00 C ATOM 317 CG ARG A 23 9.151 -7.344 -2.578 1.00 0.00 C ATOM 318 CD ARG A 23 7.932 -6.566 -3.048 1.00 0.00 C ATOM 319 NE ARG A 23 7.849 -6.507 -4.505 1.00 0.00 N ATOM 320 CZ ARG A 23 8.701 -5.824 -5.263 1.00 0.00 C ATOM 321 NH1 ARG A 23 9.694 -5.146 -4.703 1.00 0.00 N ATOM 322 NH2 ARG A 23 8.560 -5.819 -6.582 1.00 0.00 N ATOM 0 H ARG A 23 8.449 -8.905 1.037 1.00 0.00 H new ATOM 0 HA ARG A 23 6.856 -7.978 -0.913 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.974 -6.955 -0.482 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.854 -8.421 -0.868 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.038 -6.715 -2.654 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.311 -8.201 -3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.030 -7.032 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.971 -5.554 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 23 7.096 -7.018 -4.966 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.805 -5.148 -3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.347 -4.623 -5.286 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.797 -6.340 -7.015 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.214 -5.295 -7.163 1.00 0.00 H new ATOM 336 N ASP A 24 8.506 -10.575 -2.151 1.00 0.00 N ATOM 337 CA ASP A 24 8.462 -11.604 -3.183 1.00 0.00 C ATOM 338 C ASP A 24 7.042 -12.133 -3.363 1.00 0.00 C ATOM 339 O ASP A 24 6.619 -12.442 -4.478 1.00 0.00 O ATOM 340 CB ASP A 24 9.407 -12.753 -2.829 1.00 0.00 C ATOM 341 CG ASP A 24 9.984 -13.428 -4.058 1.00 0.00 C ATOM 342 OD1 ASP A 24 10.726 -12.760 -4.808 1.00 0.00 O ATOM 343 OD2 ASP A 24 9.695 -14.624 -4.268 1.00 0.00 O ATOM 0 H ASP A 24 9.322 -10.624 -1.542 1.00 0.00 H new ATOM 0 HA ASP A 24 8.785 -11.155 -4.122 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.221 -12.373 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.870 -13.490 -2.232 1.00 0.00 H new ATOM 348 N HIS A 25 6.311 -12.237 -2.258 1.00 0.00 N ATOM 349 CA HIS A 25 4.938 -12.730 -2.293 1.00 0.00 C ATOM 350 C HIS A 25 4.051 -11.807 -3.122 1.00 0.00 C ATOM 351 O HIS A 25 3.452 -12.229 -4.112 1.00 0.00 O ATOM 352 CB HIS A 25 4.382 -12.853 -0.874 1.00 0.00 C ATOM 353 CG HIS A 25 5.219 -13.709 0.026 1.00 0.00 C ATOM 354 ND1 HIS A 25 4.747 -14.857 0.625 1.00 0.00 N ATOM 355 CD2 HIS A 25 6.505 -13.579 0.426 1.00 0.00 C ATOM 356 CE1 HIS A 25 5.706 -15.396 1.357 1.00 0.00 C ATOM 357 NE2 HIS A 25 6.784 -14.640 1.252 1.00 0.00 N ATOM 0 H HIS A 25 6.646 -11.987 -1.328 1.00 0.00 H new ATOM 0 HA HIS A 25 4.943 -13.715 -2.759 1.00 0.00 H new ATOM 0 HB2 HIS A 25 4.297 -11.857 -0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.375 -13.267 -0.922 1.00 0.00 H new ATOM 0 HD1 HIS A 25 3.804 -15.232 0.520 1.00 0.00 H new ATOM 0 HD2 HIS A 25 7.185 -12.788 0.147 1.00 0.00 H new ATOM 0 HE1 HIS A 25 5.623 -16.300 1.941 1.00 0.00 H new ATOM 366 N PHE A 26 3.970 -10.546 -2.711 1.00 0.00 N ATOM 367 CA PHE A 26 3.154 -9.563 -3.415 1.00 0.00 C ATOM 368 C PHE A 26 3.395 -9.634 -4.920 1.00 0.00 C ATOM 369 O PHE A 26 2.453 -9.644 -5.711 1.00 0.00 O ATOM 370 CB PHE A 26 3.460 -8.154 -2.903 1.00 0.00 C ATOM 371 CG PHE A 26 2.687 -7.784 -1.670 1.00 0.00 C ATOM 372 CD1 PHE A 26 3.133 -8.169 -0.416 1.00 0.00 C ATOM 373 CD2 PHE A 26 1.515 -7.051 -1.764 1.00 0.00 C ATOM 374 CE1 PHE A 26 2.425 -7.829 0.722 1.00 0.00 C ATOM 375 CE2 PHE A 26 0.803 -6.708 -0.630 1.00 0.00 C ATOM 376 CZ PHE A 26 1.257 -7.099 0.614 1.00 0.00 C ATOM 0 H PHE A 26 4.459 -10.180 -1.894 1.00 0.00 H new ATOM 0 HA PHE A 26 2.106 -9.792 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.526 -8.077 -2.691 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.239 -7.434 -3.691 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.044 -8.741 -0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.154 -6.744 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.784 -8.134 1.694 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.108 -6.134 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.700 -6.835 1.501 1.00 0.00 H new ATOM 386 N ALA A 27 4.666 -9.681 -5.308 1.00 0.00 N ATOM 387 CA ALA A 27 5.032 -9.752 -6.717 1.00 0.00 C ATOM 388 C ALA A 27 4.383 -10.954 -7.393 1.00 0.00 C ATOM 389 O ALA A 27 4.017 -10.895 -8.567 1.00 0.00 O ATOM 390 CB ALA A 27 6.545 -9.814 -6.866 1.00 0.00 C ATOM 0 H ALA A 27 5.459 -9.671 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 27 4.665 -8.851 -7.208 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.805 -9.867 -7.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.991 -8.921 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.925 -10.698 -6.355 1.00 0.00 H new ATOM 396 N ALA A 28 4.243 -12.044 -6.646 1.00 0.00 N ATOM 397 CA ALA A 28 3.636 -13.260 -7.174 1.00 0.00 C ATOM 398 C ALA A 28 2.129 -13.094 -7.339 1.00 0.00 C ATOM 399 O ALA A 28 1.530 -13.653 -8.257 1.00 0.00 O ATOM 400 CB ALA A 28 3.943 -14.440 -6.264 1.00 0.00 C ATOM 0 H ALA A 28 4.542 -12.110 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 28 4.063 -13.453 -8.158 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.484 -15.341 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.022 -14.579 -6.201 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.543 -14.246 -5.269 1.00 0.00 H new ATOM 406 N GLY A 29 1.521 -12.323 -6.442 1.00 0.00 N ATOM 407 CA GLY A 29 0.089 -12.099 -6.506 1.00 0.00 C ATOM 408 C GLY A 29 -0.291 -11.070 -7.553 1.00 0.00 C ATOM 409 O GLY A 29 -1.470 -10.777 -7.746 1.00 0.00 O ATOM 0 H GLY A 29 1.995 -11.850 -5.673 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.413 -13.041 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.268 -11.769 -5.530 1.00 0.00 H new ATOM 413 N GLY A 30 0.712 -10.519 -8.231 1.00 0.00 N ATOM 414 CA GLY A 30 0.457 -9.522 -9.254 1.00 0.00 C ATOM 415 C GLY A 30 0.623 -8.107 -8.738 1.00 0.00 C ATOM 416 O GLY A 30 0.193 -7.149 -9.383 1.00 0.00 O ATOM 0 H GLY A 30 1.696 -10.746 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.137 -9.682 -10.091 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.556 -9.649 -9.637 1.00 0.00 H new ATOM 420 N TYR A 31 1.246 -7.973 -7.573 1.00 0.00 N ATOM 421 CA TYR A 31 1.464 -6.664 -6.969 1.00 0.00 C ATOM 422 C TYR A 31 2.953 -6.337 -6.898 1.00 0.00 C ATOM 423 O TYR A 31 3.697 -6.944 -6.127 1.00 0.00 O ATOM 424 CB TYR A 31 0.853 -6.618 -5.567 1.00 0.00 C ATOM 425 CG TYR A 31 -0.639 -6.861 -5.548 1.00 0.00 C ATOM 426 CD1 TYR A 31 -1.535 -5.816 -5.740 1.00 0.00 C ATOM 427 CD2 TYR A 31 -1.153 -8.134 -5.337 1.00 0.00 C ATOM 428 CE1 TYR A 31 -2.899 -6.033 -5.723 1.00 0.00 C ATOM 429 CE2 TYR A 31 -2.515 -8.361 -5.320 1.00 0.00 C ATOM 430 CZ TYR A 31 -3.384 -7.307 -5.513 1.00 0.00 C ATOM 431 OH TYR A 31 -4.742 -7.529 -5.495 1.00 0.00 O ATOM 0 H TYR A 31 1.609 -8.755 -7.028 1.00 0.00 H new ATOM 0 HA TYR A 31 0.976 -5.917 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.342 -7.365 -4.942 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.060 -5.645 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.158 -4.817 -5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.475 -8.961 -5.184 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.582 -5.210 -5.873 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.898 -9.358 -5.157 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.061 -7.532 -4.568 1.00 0.00 H new ATOM 441 N SER A 32 3.380 -5.374 -7.708 1.00 0.00 N ATOM 442 CA SER A 32 4.780 -4.968 -7.741 1.00 0.00 C ATOM 443 C SER A 32 4.928 -3.498 -7.359 1.00 0.00 C ATOM 444 O SER A 32 6.029 -3.028 -7.073 1.00 0.00 O ATOM 445 CB SER A 32 5.369 -5.206 -9.133 1.00 0.00 C ATOM 446 OG SER A 32 6.752 -4.900 -9.160 1.00 0.00 O ATOM 0 H SER A 32 2.777 -4.860 -8.350 1.00 0.00 H new ATOM 0 HA SER A 32 5.325 -5.571 -7.015 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.218 -6.246 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.843 -4.592 -9.864 1.00 0.00 H new ATOM 0 HG SER A 32 6.951 -4.226 -8.477 1.00 0.00 H new ATOM 452 N SER A 33 3.810 -2.778 -7.356 1.00 0.00 N ATOM 453 CA SER A 33 3.815 -1.361 -7.013 1.00 0.00 C ATOM 454 C SER A 33 2.948 -1.096 -5.785 1.00 0.00 C ATOM 455 O SER A 33 2.177 -1.956 -5.359 1.00 0.00 O ATOM 456 CB SER A 33 3.315 -0.527 -8.194 1.00 0.00 C ATOM 457 OG SER A 33 3.964 -0.904 -9.396 1.00 0.00 O ATOM 0 H SER A 33 2.890 -3.153 -7.587 1.00 0.00 H new ATOM 0 HA SER A 33 4.840 -1.072 -6.782 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.238 -0.655 -8.303 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.492 0.530 -7.997 1.00 0.00 H new ATOM 0 HG SER A 33 3.626 -0.358 -10.136 1.00 0.00 H new ATOM 463 N LEU A 34 3.082 0.099 -5.222 1.00 0.00 N ATOM 464 CA LEU A 34 2.311 0.479 -4.043 1.00 0.00 C ATOM 465 C LEU A 34 0.887 0.868 -4.425 1.00 0.00 C ATOM 466 O LEU A 34 -0.073 0.487 -3.758 1.00 0.00 O ATOM 467 CB LEU A 34 2.993 1.640 -3.316 1.00 0.00 C ATOM 468 CG LEU A 34 4.053 1.231 -2.293 1.00 0.00 C ATOM 469 CD1 LEU A 34 3.451 1.155 -0.899 1.00 0.00 C ATOM 470 CD2 LEU A 34 4.678 -0.102 -2.679 1.00 0.00 C ATOM 0 H LEU A 34 3.717 0.821 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 34 2.265 -0.382 -3.376 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.458 2.290 -4.057 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.229 2.230 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 34 4.835 1.990 -2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.221 0.862 -0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.051 2.130 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.648 0.418 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.430 -0.379 -1.940 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.905 -0.870 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.147 -0.014 -3.659 1.00 0.00 H new ATOM 482 N GLY A 35 0.759 1.632 -5.506 1.00 0.00 N ATOM 483 CA GLY A 35 -0.551 2.061 -5.960 1.00 0.00 C ATOM 484 C GLY A 35 -1.557 0.928 -5.983 1.00 0.00 C ATOM 485 O GLY A 35 -2.689 1.084 -5.527 1.00 0.00 O ATOM 0 H GLY A 35 1.539 1.961 -6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.916 2.854 -5.307 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.464 2.486 -6.960 1.00 0.00 H new ATOM 489 N MET A 36 -1.144 -0.217 -6.518 1.00 0.00 N ATOM 490 CA MET A 36 -2.018 -1.381 -6.600 1.00 0.00 C ATOM 491 C MET A 36 -2.129 -2.074 -5.245 1.00 0.00 C ATOM 492 O MET A 36 -3.104 -2.774 -4.972 1.00 0.00 O ATOM 493 CB MET A 36 -1.496 -2.365 -7.648 1.00 0.00 C ATOM 494 CG MET A 36 -0.042 -2.759 -7.441 1.00 0.00 C ATOM 495 SD MET A 36 0.624 -3.707 -8.822 1.00 0.00 S ATOM 496 CE MET A 36 0.611 -2.472 -10.119 1.00 0.00 C ATOM 0 H MET A 36 -0.210 -0.363 -6.901 1.00 0.00 H new ATOM 0 HA MET A 36 -3.010 -1.039 -6.896 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.113 -3.263 -7.630 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.606 -1.922 -8.638 1.00 0.00 H new ATOM 0 HG2 MET A 36 0.558 -1.860 -7.300 1.00 0.00 H new ATOM 0 HG3 MET A 36 0.045 -3.346 -6.527 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.533 -2.540 -10.696 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.242 -2.643 -10.776 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.533 -1.479 -9.675 1.00 0.00 H new ATOM 506 N VAL A 37 -1.123 -1.874 -4.399 1.00 0.00 N ATOM 507 CA VAL A 37 -1.107 -2.479 -3.073 1.00 0.00 C ATOM 508 C VAL A 37 -2.056 -1.752 -2.127 1.00 0.00 C ATOM 509 O VAL A 37 -2.628 -2.356 -1.219 1.00 0.00 O ATOM 510 CB VAL A 37 0.309 -2.470 -2.468 1.00 0.00 C ATOM 511 CG1 VAL A 37 0.245 -2.603 -0.954 1.00 0.00 C ATOM 512 CG2 VAL A 37 1.153 -3.582 -3.074 1.00 0.00 C ATOM 0 H VAL A 37 -0.308 -1.297 -4.609 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.436 -3.511 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 37 0.780 -1.516 -2.704 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.255 -2.595 -0.545 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.321 -1.769 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.245 -3.541 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.151 -3.562 -2.636 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.686 -4.546 -2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.227 -3.436 -4.152 1.00 0.00 H new ATOM 522 N LEU A 38 -2.220 -0.452 -2.345 1.00 0.00 N ATOM 523 CA LEU A 38 -3.101 0.358 -1.512 1.00 0.00 C ATOM 524 C LEU A 38 -4.557 -0.060 -1.691 1.00 0.00 C ATOM 525 O LEU A 38 -5.374 0.093 -0.783 1.00 0.00 O ATOM 526 CB LEU A 38 -2.939 1.841 -1.854 1.00 0.00 C ATOM 527 CG LEU A 38 -1.884 2.583 -1.033 1.00 0.00 C ATOM 528 CD1 LEU A 38 -0.647 1.719 -0.846 1.00 0.00 C ATOM 529 CD2 LEU A 38 -1.519 3.900 -1.701 1.00 0.00 C ATOM 0 H LEU A 38 -1.754 0.064 -3.092 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.822 0.199 -0.470 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.684 1.929 -2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.900 2.337 -1.716 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.303 2.799 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.092 2.264 -0.259 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.919 0.802 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.226 1.471 -1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.767 4.415 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.120 3.705 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.408 4.525 -1.783 1.00 0.00 H new ATOM 541 N ARG A 39 -4.874 -0.590 -2.868 1.00 0.00 N ATOM 542 CA ARG A 39 -6.231 -1.030 -3.168 1.00 0.00 C ATOM 543 C ARG A 39 -6.415 -2.503 -2.816 1.00 0.00 C ATOM 544 O ARG A 39 -7.361 -3.146 -3.269 1.00 0.00 O ATOM 545 CB ARG A 39 -6.548 -0.805 -4.647 1.00 0.00 C ATOM 546 CG ARG A 39 -5.821 -1.761 -5.578 1.00 0.00 C ATOM 547 CD ARG A 39 -6.553 -1.914 -6.902 1.00 0.00 C ATOM 548 NE ARG A 39 -6.289 -3.208 -7.527 1.00 0.00 N ATOM 549 CZ ARG A 39 -7.030 -3.716 -8.506 1.00 0.00 C ATOM 550 NH1 ARG A 39 -8.073 -3.042 -8.970 1.00 0.00 N ATOM 551 NH2 ARG A 39 -6.727 -4.900 -9.023 1.00 0.00 N ATOM 0 H ARG A 39 -4.209 -0.725 -3.630 1.00 0.00 H new ATOM 0 HA ARG A 39 -6.919 -0.440 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.622 -0.909 -4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.286 0.219 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.810 -1.395 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.726 -2.735 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.625 -1.802 -6.739 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.249 -1.116 -7.579 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.492 -3.751 -7.194 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.308 -2.131 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.640 -3.434 -9.722 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.925 -5.421 -8.669 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.296 -5.289 -9.774 1.00 0.00 H new ATOM 565 N MET A 40 -5.504 -3.031 -2.005 1.00 0.00 N ATOM 566 CA MET A 40 -5.566 -4.428 -1.591 1.00 0.00 C ATOM 567 C MET A 40 -6.304 -4.569 -0.263 1.00 0.00 C ATOM 568 O MET A 40 -6.636 -3.576 0.382 1.00 0.00 O ATOM 569 CB MET A 40 -4.157 -5.010 -1.470 1.00 0.00 C ATOM 570 CG MET A 40 -3.467 -5.217 -2.809 1.00 0.00 C ATOM 571 SD MET A 40 -1.879 -6.056 -2.649 1.00 0.00 S ATOM 572 CE MET A 40 -2.299 -7.360 -1.496 1.00 0.00 C ATOM 0 H MET A 40 -4.714 -2.512 -1.621 1.00 0.00 H new ATOM 0 HA MET A 40 -6.115 -4.982 -2.352 1.00 0.00 H new ATOM 0 HB2 MET A 40 -3.549 -4.345 -0.857 1.00 0.00 H new ATOM 0 HB3 MET A 40 -4.211 -5.965 -0.947 1.00 0.00 H new ATOM 0 HG2 MET A 40 -4.117 -5.799 -3.462 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.316 -4.250 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.633 -8.209 -1.649 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.190 -6.993 -0.476 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.330 -7.673 -1.660 1.00 0.00 H new ATOM 582 N ASN A 41 -6.557 -5.811 0.138 1.00 0.00 N ATOM 583 CA ASN A 41 -7.256 -6.081 1.389 1.00 0.00 C ATOM 584 C ASN A 41 -6.885 -7.458 1.933 1.00 0.00 C ATOM 585 O ASN A 41 -6.299 -8.278 1.227 1.00 0.00 O ATOM 586 CB ASN A 41 -8.769 -5.994 1.181 1.00 0.00 C ATOM 587 CG ASN A 41 -9.184 -4.714 0.482 1.00 0.00 C ATOM 588 OD1 ASN A 41 -9.067 -3.623 1.040 1.00 0.00 O ATOM 589 ND2 ASN A 41 -9.672 -4.842 -0.747 1.00 0.00 N ATOM 0 H ASN A 41 -6.289 -6.645 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.952 -5.328 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.102 -6.850 0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.270 -6.056 2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.968 -4.016 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.751 -5.767 -1.171 1.00 0.00 H new ATOM 596 N ALA A 42 -7.230 -7.703 3.193 1.00 0.00 N ATOM 597 CA ALA A 42 -6.935 -8.980 3.831 1.00 0.00 C ATOM 598 C ALA A 42 -7.094 -10.134 2.847 1.00 0.00 C ATOM 599 O ALA A 42 -6.309 -11.082 2.858 1.00 0.00 O ATOM 600 CB ALA A 42 -7.836 -9.186 5.040 1.00 0.00 C ATOM 0 H ALA A 42 -7.714 -7.034 3.792 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.897 -8.961 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.605 -10.143 5.507 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.671 -8.383 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.879 -9.179 4.722 1.00 0.00 H new ATOM 606 N GLN A 43 -8.114 -10.047 1.999 1.00 0.00 N ATOM 607 CA GLN A 43 -8.375 -11.087 1.010 1.00 0.00 C ATOM 608 C GLN A 43 -7.201 -11.228 0.046 1.00 0.00 C ATOM 609 O GLN A 43 -6.756 -12.338 -0.246 1.00 0.00 O ATOM 610 CB GLN A 43 -9.654 -10.770 0.233 1.00 0.00 C ATOM 611 CG GLN A 43 -10.233 -11.970 -0.499 1.00 0.00 C ATOM 612 CD GLN A 43 -11.554 -11.659 -1.175 1.00 0.00 C ATOM 613 OE1 GLN A 43 -11.755 -10.561 -1.694 1.00 0.00 O ATOM 614 NE2 GLN A 43 -12.462 -12.628 -1.174 1.00 0.00 N ATOM 0 H GLN A 43 -8.772 -9.268 1.977 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.503 -12.032 1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -10.402 -10.380 0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -9.445 -9.981 -0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -9.519 -12.314 -1.247 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -10.374 -12.788 0.207 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -12.252 -13.523 -0.732 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -13.369 -12.477 -1.616 1.00 0.00 H new ATOM 623 N ASP A 44 -6.706 -10.097 -0.444 1.00 0.00 N ATOM 624 CA ASP A 44 -5.583 -10.095 -1.375 1.00 0.00 C ATOM 625 C ASP A 44 -4.283 -10.451 -0.659 1.00 0.00 C ATOM 626 O ASP A 44 -3.606 -11.413 -1.022 1.00 0.00 O ATOM 627 CB ASP A 44 -5.452 -8.727 -2.046 1.00 0.00 C ATOM 628 CG ASP A 44 -6.706 -8.330 -2.800 1.00 0.00 C ATOM 629 OD1 ASP A 44 -7.788 -8.861 -2.474 1.00 0.00 O ATOM 630 OD2 ASP A 44 -6.605 -7.487 -3.716 1.00 0.00 O ATOM 0 H ASP A 44 -7.064 -9.170 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 44 -5.774 -10.849 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -5.233 -7.974 -1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.607 -8.743 -2.734 1.00 0.00 H new ATOM 635 N VAL A 45 -3.940 -9.668 0.358 1.00 0.00 N ATOM 636 CA VAL A 45 -2.722 -9.900 1.125 1.00 0.00 C ATOM 637 C VAL A 45 -2.634 -11.348 1.592 1.00 0.00 C ATOM 638 O VAL A 45 -1.630 -12.024 1.369 1.00 0.00 O ATOM 639 CB VAL A 45 -2.644 -8.971 2.350 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.548 -9.430 3.300 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.413 -7.532 1.914 1.00 0.00 C ATOM 0 H VAL A 45 -4.489 -8.867 0.670 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.885 -9.684 0.461 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.595 -9.018 2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.508 -8.761 4.160 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.761 -10.444 3.639 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.588 -9.414 2.783 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.361 -6.889 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.477 -7.466 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.236 -7.208 1.277 1.00 0.00 H new ATOM 651 N ARG A 46 -3.694 -11.819 2.242 1.00 0.00 N ATOM 652 CA ARG A 46 -3.737 -13.188 2.743 1.00 0.00 C ATOM 653 C ARG A 46 -3.310 -14.176 1.661 1.00 0.00 C ATOM 654 O ARG A 46 -2.588 -15.135 1.932 1.00 0.00 O ATOM 655 CB ARG A 46 -5.144 -13.530 3.234 1.00 0.00 C ATOM 656 CG ARG A 46 -5.359 -15.014 3.483 1.00 0.00 C ATOM 657 CD ARG A 46 -4.663 -15.472 4.755 1.00 0.00 C ATOM 658 NE ARG A 46 -5.067 -16.821 5.144 1.00 0.00 N ATOM 659 CZ ARG A 46 -6.150 -17.085 5.866 1.00 0.00 C ATOM 660 NH1 ARG A 46 -6.934 -16.097 6.275 1.00 0.00 N ATOM 661 NH2 ARG A 46 -6.450 -18.338 6.180 1.00 0.00 N ATOM 0 H ARG A 46 -4.534 -11.273 2.434 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.040 -13.265 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.340 -12.983 4.156 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.870 -13.185 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.427 -15.221 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.981 -15.585 2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.583 -15.445 4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.892 -14.778 5.564 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.485 -17.603 4.845 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.706 -15.132 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.765 -16.302 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.849 -19.100 5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -7.282 -18.540 6.735 1.00 0.00 H new ATOM 675 N ALA A 47 -3.763 -13.935 0.435 1.00 0.00 N ATOM 676 CA ALA A 47 -3.427 -14.802 -0.688 1.00 0.00 C ATOM 677 C ALA A 47 -1.919 -14.853 -0.910 1.00 0.00 C ATOM 678 O ALA A 47 -1.377 -15.881 -1.314 1.00 0.00 O ATOM 679 CB ALA A 47 -4.133 -14.328 -1.950 1.00 0.00 C ATOM 0 H ALA A 47 -4.364 -13.147 0.194 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.767 -15.810 -0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.873 -14.984 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.212 -14.350 -1.794 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.821 -13.310 -2.181 1.00 0.00 H new ATOM 685 N LEU A 48 -1.248 -13.738 -0.644 1.00 0.00 N ATOM 686 CA LEU A 48 0.198 -13.656 -0.815 1.00 0.00 C ATOM 687 C LEU A 48 0.912 -14.639 0.107 1.00 0.00 C ATOM 688 O LEU A 48 2.051 -15.029 -0.146 1.00 0.00 O ATOM 689 CB LEU A 48 0.685 -12.232 -0.538 1.00 0.00 C ATOM 690 CG LEU A 48 0.083 -11.155 -1.441 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.791 -9.826 -1.232 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.162 -11.578 -2.900 1.00 0.00 C ATOM 0 H LEU A 48 -1.682 -12.878 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 48 0.432 -13.919 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.460 -11.983 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.770 -12.208 -0.643 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.967 -11.030 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.349 -9.072 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.684 -9.516 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.849 -9.936 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.271 -10.800 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.205 -11.731 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.391 -12.507 -3.040 1.00 0.00 H new ATOM 704 N GLY A 49 0.233 -15.036 1.179 1.00 0.00 N ATOM 705 CA GLY A 49 0.817 -15.969 2.123 1.00 0.00 C ATOM 706 C GLY A 49 0.867 -15.414 3.533 1.00 0.00 C ATOM 707 O GLY A 49 0.778 -16.163 4.506 1.00 0.00 O ATOM 0 H GLY A 49 -0.711 -14.728 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.239 -16.893 2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.827 -16.223 1.800 1.00 0.00 H new ATOM 711 N ILE A 50 1.011 -14.097 3.644 1.00 0.00 N ATOM 712 CA ILE A 50 1.073 -13.443 4.944 1.00 0.00 C ATOM 713 C ILE A 50 -0.262 -13.543 5.674 1.00 0.00 C ATOM 714 O ILE A 50 -1.198 -12.795 5.387 1.00 0.00 O ATOM 715 CB ILE A 50 1.462 -11.959 4.810 1.00 0.00 C ATOM 716 CG1 ILE A 50 2.576 -11.793 3.775 1.00 0.00 C ATOM 717 CG2 ILE A 50 1.895 -11.401 6.157 1.00 0.00 C ATOM 718 CD1 ILE A 50 2.066 -11.540 2.373 1.00 0.00 C ATOM 0 H ILE A 50 1.087 -13.463 2.849 1.00 0.00 H new ATOM 0 HA ILE A 50 1.840 -13.960 5.521 1.00 0.00 H new ATOM 0 HB ILE A 50 0.590 -11.399 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.218 -10.965 4.074 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.194 -12.691 3.772 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.167 -10.351 6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.074 -11.490 6.869 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.755 -11.961 6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.911 -11.432 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.447 -12.379 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.472 -10.626 2.361 1.00 0.00 H new ATOM 730 N THR A 51 -0.345 -14.472 6.622 1.00 0.00 N ATOM 731 CA THR A 51 -1.564 -14.670 7.394 1.00 0.00 C ATOM 732 C THR A 51 -1.325 -14.409 8.877 1.00 0.00 C ATOM 733 O THR A 51 -2.236 -14.011 9.602 1.00 0.00 O ATOM 734 CB THR A 51 -2.115 -16.098 7.218 1.00 0.00 C ATOM 735 OG1 THR A 51 -1.497 -16.981 8.161 1.00 0.00 O ATOM 736 CG2 THR A 51 -1.868 -16.603 5.805 1.00 0.00 C ATOM 0 H THR A 51 0.419 -15.099 6.873 1.00 0.00 H new ATOM 0 HA THR A 51 -2.296 -13.957 7.016 1.00 0.00 H new ATOM 0 HB THR A 51 -3.190 -16.073 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.854 -17.886 8.044 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.266 -17.613 5.705 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.364 -15.945 5.092 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.797 -16.613 5.604 1.00 0.00 H new ATOM 744 N LEU A 52 -0.093 -14.634 9.321 1.00 0.00 N ATOM 745 CA LEU A 52 0.266 -14.423 10.719 1.00 0.00 C ATOM 746 C LEU A 52 -0.178 -13.042 11.192 1.00 0.00 C ATOM 747 O LEU A 52 0.332 -12.023 10.729 1.00 0.00 O ATOM 748 CB LEU A 52 1.777 -14.579 10.907 1.00 0.00 C ATOM 749 CG LEU A 52 2.281 -16.022 10.929 1.00 0.00 C ATOM 750 CD1 LEU A 52 2.664 -16.475 9.530 1.00 0.00 C ATOM 751 CD2 LEU A 52 3.462 -16.158 11.878 1.00 0.00 C ATOM 0 H LEU A 52 0.673 -14.962 8.734 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.248 -15.174 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.285 -14.045 10.104 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.063 -14.096 11.841 1.00 0.00 H new ATOM 0 HG LEU A 52 1.476 -16.663 11.288 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.020 -17.504 9.566 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.793 -16.415 8.877 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.453 -15.831 9.142 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.809 -17.191 11.882 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.270 -15.505 11.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.154 -15.875 12.885 1.00 0.00 H new ATOM 763 N MET A 53 -1.131 -13.019 12.117 1.00 0.00 N ATOM 764 CA MET A 53 -1.644 -11.763 12.654 1.00 0.00 C ATOM 765 C MET A 53 -0.506 -10.787 12.934 1.00 0.00 C ATOM 766 O MET A 53 -0.552 -9.629 12.520 1.00 0.00 O ATOM 767 CB MET A 53 -2.438 -12.019 13.936 1.00 0.00 C ATOM 768 CG MET A 53 -3.666 -12.890 13.726 1.00 0.00 C ATOM 769 SD MET A 53 -5.088 -11.956 13.130 1.00 0.00 S ATOM 770 CE MET A 53 -5.121 -12.450 11.409 1.00 0.00 C ATOM 0 H MET A 53 -1.564 -13.855 12.511 1.00 0.00 H new ATOM 0 HA MET A 53 -2.304 -11.320 11.908 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.786 -12.495 14.669 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.748 -11.063 14.359 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.429 -13.679 13.012 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.925 -13.378 14.665 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.689 -11.720 10.832 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.102 -12.502 11.026 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.592 -13.429 11.320 1.00 0.00 H new ATOM 780 N GLY A 54 0.516 -11.262 13.640 1.00 0.00 N ATOM 781 CA GLY A 54 1.651 -10.417 13.962 1.00 0.00 C ATOM 782 C GLY A 54 2.187 -9.678 12.752 1.00 0.00 C ATOM 783 O GLY A 54 2.677 -8.554 12.869 1.00 0.00 O ATOM 0 H GLY A 54 0.578 -12.216 13.994 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.358 -9.695 14.724 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.445 -11.028 14.391 1.00 0.00 H new ATOM 787 N HIS A 55 2.095 -10.310 11.586 1.00 0.00 N ATOM 788 CA HIS A 55 2.575 -9.705 10.349 1.00 0.00 C ATOM 789 C HIS A 55 1.428 -9.055 9.581 1.00 0.00 C ATOM 790 O HIS A 55 1.432 -7.847 9.346 1.00 0.00 O ATOM 791 CB HIS A 55 3.260 -10.756 9.475 1.00 0.00 C ATOM 792 CG HIS A 55 4.288 -11.564 10.204 1.00 0.00 C ATOM 793 ND1 HIS A 55 4.975 -12.609 9.623 1.00 0.00 N ATOM 794 CD2 HIS A 55 4.746 -11.475 11.475 1.00 0.00 C ATOM 795 CE1 HIS A 55 5.810 -13.129 10.505 1.00 0.00 C ATOM 796 NE2 HIS A 55 5.691 -12.458 11.637 1.00 0.00 N ATOM 0 H HIS A 55 1.693 -11.240 11.472 1.00 0.00 H new ATOM 0 HA HIS A 55 3.298 -8.932 10.608 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.504 -11.427 9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.734 -10.259 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.427 -10.763 12.222 1.00 0.00 H new ATOM 0 HE1 HIS A 55 6.476 -13.961 10.330 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.216 -12.641 12.492 1.00 0.00 H new ATOM 805 N GLN A 56 0.449 -9.866 9.192 1.00 0.00 N ATOM 806 CA GLN A 56 -0.703 -9.370 8.449 1.00 0.00 C ATOM 807 C GLN A 56 -1.104 -7.979 8.931 1.00 0.00 C ATOM 808 O GLN A 56 -1.556 -7.145 8.146 1.00 0.00 O ATOM 809 CB GLN A 56 -1.883 -10.332 8.594 1.00 0.00 C ATOM 810 CG GLN A 56 -1.950 -11.383 7.497 1.00 0.00 C ATOM 811 CD GLN A 56 -3.351 -11.923 7.290 1.00 0.00 C ATOM 812 OE1 GLN A 56 -4.171 -11.923 8.209 1.00 0.00 O ATOM 813 NE2 GLN A 56 -3.634 -12.388 6.079 1.00 0.00 N ATOM 0 H GLN A 56 0.431 -10.869 9.379 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.424 -9.304 7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -1.817 -10.831 9.561 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.810 -9.759 8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -1.590 -10.951 6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -1.281 -12.206 7.747 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -2.924 -12.369 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.561 -12.764 5.881 1.00 0.00 H new ATOM 822 N LYS A 57 -0.935 -7.736 10.226 1.00 0.00 N ATOM 823 CA LYS A 57 -1.278 -6.446 10.814 1.00 0.00 C ATOM 824 C LYS A 57 -0.350 -5.351 10.301 1.00 0.00 C ATOM 825 O LYS A 57 -0.798 -4.266 9.929 1.00 0.00 O ATOM 826 CB LYS A 57 -1.201 -6.522 12.340 1.00 0.00 C ATOM 827 CG LYS A 57 -2.389 -7.224 12.975 1.00 0.00 C ATOM 828 CD LYS A 57 -2.514 -6.883 14.451 1.00 0.00 C ATOM 829 CE LYS A 57 -3.561 -7.749 15.136 1.00 0.00 C ATOM 830 NZ LYS A 57 -3.550 -7.567 16.614 1.00 0.00 N ATOM 0 H LYS A 57 -0.562 -8.416 10.889 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.298 -6.200 10.520 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.287 -7.044 12.624 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.129 -5.512 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.303 -6.937 12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.281 -8.302 12.857 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.550 -7.020 14.940 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.781 -5.832 14.562 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.549 -7.501 14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.378 -8.797 14.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.277 -8.174 17.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.616 -7.828 16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.750 -6.572 16.843 1.00 0.00 H new ATOM 844 N LYS A 58 0.947 -5.641 10.282 1.00 0.00 N ATOM 845 CA LYS A 58 1.940 -4.682 9.811 1.00 0.00 C ATOM 846 C LYS A 58 1.653 -4.263 8.373 1.00 0.00 C ATOM 847 O LYS A 58 1.350 -3.100 8.104 1.00 0.00 O ATOM 848 CB LYS A 58 3.344 -5.281 9.909 1.00 0.00 C ATOM 849 CG LYS A 58 4.045 -4.978 11.221 1.00 0.00 C ATOM 850 CD LYS A 58 3.341 -5.638 12.395 1.00 0.00 C ATOM 851 CE LYS A 58 2.309 -4.712 13.019 1.00 0.00 C ATOM 852 NZ LYS A 58 1.664 -5.324 14.213 1.00 0.00 N ATOM 0 H LYS A 58 1.335 -6.533 10.588 1.00 0.00 H new ATOM 0 HA LYS A 58 1.884 -3.798 10.446 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.278 -6.362 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.950 -4.901 9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.077 -5.326 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.079 -3.900 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.854 -6.554 12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.076 -5.924 13.147 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.788 -3.775 13.305 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.546 -4.468 12.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.943 -4.675 14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.214 -6.222 13.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.383 -5.503 14.943 1.00 0.00 H new ATOM 866 N ILE A 59 1.749 -5.217 7.453 1.00 0.00 N ATOM 867 CA ILE A 59 1.497 -4.946 6.043 1.00 0.00 C ATOM 868 C ILE A 59 0.202 -4.163 5.857 1.00 0.00 C ATOM 869 O ILE A 59 0.222 -2.991 5.481 1.00 0.00 O ATOM 870 CB ILE A 59 1.418 -6.249 5.226 1.00 0.00 C ATOM 871 CG1 ILE A 59 2.742 -7.011 5.309 1.00 0.00 C ATOM 872 CG2 ILE A 59 1.067 -5.944 3.777 1.00 0.00 C ATOM 873 CD1 ILE A 59 2.706 -8.362 4.630 1.00 0.00 C ATOM 0 H ILE A 59 1.999 -6.184 7.659 1.00 0.00 H new ATOM 0 HA ILE A 59 2.334 -4.349 5.681 1.00 0.00 H new ATOM 0 HB ILE A 59 0.633 -6.877 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.528 -6.407 4.856 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.008 -7.147 6.357 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.015 -6.874 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.102 -5.439 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.833 -5.300 3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.678 -8.845 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.943 -8.984 5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.471 -8.232 3.574 1.00 0.00 H new ATOM 885 N LEU A 60 -0.923 -4.818 6.123 1.00 0.00 N ATOM 886 CA LEU A 60 -2.229 -4.182 5.987 1.00 0.00 C ATOM 887 C LEU A 60 -2.293 -2.891 6.797 1.00 0.00 C ATOM 888 O LEU A 60 -2.532 -1.815 6.251 1.00 0.00 O ATOM 889 CB LEU A 60 -3.334 -5.138 6.440 1.00 0.00 C ATOM 890 CG LEU A 60 -3.813 -6.125 5.375 1.00 0.00 C ATOM 891 CD1 LEU A 60 -4.462 -7.337 6.023 1.00 0.00 C ATOM 892 CD2 LEU A 60 -4.782 -5.447 4.418 1.00 0.00 C ATOM 0 H LEU A 60 -0.957 -5.789 6.434 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.379 -3.937 4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.975 -5.702 7.301 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.187 -4.549 6.778 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.947 -6.464 4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.796 -8.028 5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.738 -7.836 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.317 -7.017 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.113 -6.164 3.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.645 -5.079 4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.284 -4.611 3.927 1.00 0.00 H new ATOM 904 N GLY A 61 -2.078 -3.008 8.104 1.00 0.00 N ATOM 905 CA GLY A 61 -2.115 -1.843 8.969 1.00 0.00 C ATOM 906 C GLY A 61 -1.269 -0.702 8.441 1.00 0.00 C ATOM 907 O GLY A 61 -1.591 0.467 8.653 1.00 0.00 O ATOM 0 H GLY A 61 -1.879 -3.888 8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.146 -1.507 9.077 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.765 -2.121 9.963 1.00 0.00 H new ATOM 911 N SER A 62 -0.183 -1.041 7.754 1.00 0.00 N ATOM 912 CA SER A 62 0.715 -0.035 7.200 1.00 0.00 C ATOM 913 C SER A 62 0.155 0.537 5.901 1.00 0.00 C ATOM 914 O SER A 62 0.404 1.695 5.562 1.00 0.00 O ATOM 915 CB SER A 62 2.099 -0.638 6.950 1.00 0.00 C ATOM 916 OG SER A 62 3.054 0.372 6.676 1.00 0.00 O ATOM 0 H SER A 62 0.096 -2.004 7.568 1.00 0.00 H new ATOM 0 HA SER A 62 0.805 0.774 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 62 2.412 -1.212 7.822 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.050 -1.333 6.112 1.00 0.00 H new ATOM 0 HG SER A 62 3.825 -0.023 6.218 1.00 0.00 H new ATOM 922 N ILE A 63 -0.601 -0.282 5.179 1.00 0.00 N ATOM 923 CA ILE A 63 -1.197 0.142 3.918 1.00 0.00 C ATOM 924 C ILE A 63 -2.367 1.091 4.155 1.00 0.00 C ATOM 925 O ILE A 63 -2.399 2.198 3.619 1.00 0.00 O ATOM 926 CB ILE A 63 -1.688 -1.063 3.094 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.499 -1.905 2.624 1.00 0.00 C ATOM 928 CG2 ILE A 63 -2.512 -0.592 1.905 1.00 0.00 C ATOM 929 CD1 ILE A 63 -0.901 -3.225 2.004 1.00 0.00 C ATOM 0 H ILE A 63 -0.816 -1.243 5.445 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.418 0.661 3.360 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.322 -1.683 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.077 -1.332 1.897 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.158 -2.096 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -2.852 -1.455 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.376 -0.030 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.900 0.047 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.008 -3.768 1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.451 -3.818 2.735 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.534 -3.041 1.136 1.00 0.00 H new ATOM 941 N GLN A 64 -3.326 0.650 4.963 1.00 0.00 N ATOM 942 CA GLN A 64 -4.498 1.461 5.272 1.00 0.00 C ATOM 943 C GLN A 64 -4.107 2.918 5.496 1.00 0.00 C ATOM 944 O GLN A 64 -4.865 3.833 5.172 1.00 0.00 O ATOM 945 CB GLN A 64 -5.210 0.915 6.511 1.00 0.00 C ATOM 946 CG GLN A 64 -4.726 1.533 7.813 1.00 0.00 C ATOM 947 CD GLN A 64 -5.547 1.094 9.008 1.00 0.00 C ATOM 948 OE1 GLN A 64 -6.616 0.501 8.858 1.00 0.00 O ATOM 949 NE2 GLN A 64 -5.052 1.382 10.206 1.00 0.00 N ATOM 0 H GLN A 64 -3.314 -0.264 5.415 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.177 1.413 4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.281 1.091 6.411 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.067 -0.165 6.556 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.683 1.261 7.974 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.763 2.619 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.163 1.875 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.561 1.110 11.047 1.00 0.00 H new ATOM 958 N THR A 65 -2.918 3.128 6.054 1.00 0.00 N ATOM 959 CA THR A 65 -2.428 4.474 6.323 1.00 0.00 C ATOM 960 C THR A 65 -1.715 5.052 5.106 1.00 0.00 C ATOM 961 O THR A 65 -1.702 6.266 4.902 1.00 0.00 O ATOM 962 CB THR A 65 -1.464 4.490 7.525 1.00 0.00 C ATOM 963 OG1 THR A 65 -1.138 5.840 7.873 1.00 0.00 O ATOM 964 CG2 THR A 65 -0.190 3.722 7.207 1.00 0.00 C ATOM 0 H THR A 65 -2.277 2.383 6.328 1.00 0.00 H new ATOM 0 HA THR A 65 -3.298 5.088 6.556 1.00 0.00 H new ATOM 0 HB THR A 65 -1.960 4.007 8.367 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.526 5.842 8.639 1.00 0.00 H new ATOM 0 HG21 THR A 65 0.475 3.747 8.070 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.438 2.687 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.307 4.180 6.352 1.00 0.00 H new ATOM 972 N MET A 66 -1.122 4.176 4.301 1.00 0.00 N ATOM 973 CA MET A 66 -0.409 4.602 3.103 1.00 0.00 C ATOM 974 C MET A 66 -1.369 5.208 2.085 1.00 0.00 C ATOM 975 O MET A 66 -1.011 6.132 1.354 1.00 0.00 O ATOM 976 CB MET A 66 0.334 3.419 2.479 1.00 0.00 C ATOM 977 CG MET A 66 1.725 3.203 3.054 1.00 0.00 C ATOM 978 SD MET A 66 2.794 2.261 1.949 1.00 0.00 S ATOM 979 CE MET A 66 1.826 0.770 1.731 1.00 0.00 C ATOM 0 H MET A 66 -1.121 3.168 4.457 1.00 0.00 H new ATOM 0 HA MET A 66 0.314 5.365 3.393 1.00 0.00 H new ATOM 0 HB2 MET A 66 -0.255 2.513 2.624 1.00 0.00 H new ATOM 0 HB3 MET A 66 0.415 3.578 1.404 1.00 0.00 H new ATOM 0 HG2 MET A 66 2.183 4.170 3.259 1.00 0.00 H new ATOM 0 HG3 MET A 66 1.643 2.680 4.007 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.348 0.093 1.055 1.00 0.00 H new ATOM 0 HE2 MET A 66 1.685 0.283 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 66 0.854 1.026 1.309 1.00 0.00 H new