USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 744 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 45 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 66 SER OG : rot -82:sc= 0.51 USER MOD Single : A 10 HIS : no HD1:sc= -0.738 X(o=-0.74,f=-0.3) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= -8.3! (180deg=-12.1!) USER MOD Single : A 18 HIS : no HD1:sc= -0.822 K(o=-0.82,f=-1.5) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 94:sc= 0.605 USER MOD Single : A 37 MET CE :methyl 175:sc= -8.32! (180deg=-8.39!) USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -2.05! (180deg=-4.97!) USER MOD Single : A 47 TYR OH : rot 33:sc= 0.126 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 51 LYS NZ :NH3+ -103:sc= -0.937 (180deg=-2.47!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 60 THR OG1 : rot -171:sc= -0.088 USER MOD Single : A 67 TYR OH : rot -135:sc= 0.189 USER MOD Single : A 70 GLN : amide:sc= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ -134:sc=-0.00464 (180deg=-0.146) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0244 (180deg=-0.606) USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.104) USER MOD Single : A 85 HIS :FLIP no HE2:sc= -0.31 F(o=-1.2,f=-0.31) USER MOD Single : A 90 LYS NZ :NH3+ 175:sc= 0.0438 (180deg=0.0409) USER MOD Single : A 93 ASN : amide:sc= -4.38! C(o=-4.4!,f=-8.6!) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc= -3.21 X(o=-3.2,f=-3.7!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 MET CE :methyl -150:sc= -0.385 (180deg=-1.28) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 112 THR OG1 : rot -36:sc= -0.76 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.0087) USER MOD Single : A 118 SER OG : rot 86:sc= -1.44 USER MOD ----------------------------------------------------------------- ATOM 88 N HIS A 10 -5.478 6.131 -15.451 1.00 0.00 N ATOM 89 CA HIS A 10 -4.643 6.293 -16.641 1.00 0.00 C ATOM 90 C HIS A 10 -4.236 4.939 -17.179 1.00 0.00 C ATOM 91 O HIS A 10 -4.306 3.920 -16.469 1.00 0.00 O ATOM 92 CB HIS A 10 -3.404 7.106 -16.232 1.00 0.00 C ATOM 93 CG HIS A 10 -3.141 8.251 -17.173 1.00 0.00 C ATOM 94 ND1 HIS A 10 -1.886 8.767 -17.484 1.00 0.00 N ATOM 95 CD2 HIS A 10 -4.150 8.921 -17.849 1.00 0.00 C ATOM 96 CE1 HIS A 10 -2.245 9.731 -18.354 1.00 0.00 C ATOM 97 NE2 HIS A 10 -3.568 9.890 -18.624 1.00 0.00 N ATOM 0 HA HIS A 10 -5.191 6.811 -17.428 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.542 7.492 -15.222 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.533 6.451 -16.207 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.208 8.715 -17.777 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -1.503 10.360 -18.824 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.015 10.562 -19.247 1.00 0.00 H new ATOM 105 N GLU A 11 -3.829 4.875 -18.433 1.00 0.00 N ATOM 106 CA GLU A 11 -3.559 3.593 -19.084 1.00 0.00 C ATOM 107 C GLU A 11 -2.546 3.741 -20.195 1.00 0.00 C ATOM 108 O GLU A 11 -2.766 4.436 -21.192 1.00 0.00 O ATOM 109 CB GLU A 11 -4.903 3.021 -19.615 1.00 0.00 C ATOM 110 CG GLU A 11 -5.663 3.859 -20.696 1.00 0.00 C ATOM 111 CD GLU A 11 -5.585 3.403 -22.155 1.00 0.00 C ATOM 112 OE1 GLU A 11 -6.058 2.144 -22.362 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.137 4.109 -23.049 1.00 0.00 O ATOM 0 H GLU A 11 -3.676 5.691 -19.026 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.126 2.900 -18.362 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.708 2.032 -20.030 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.570 2.883 -18.764 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.715 3.890 -20.413 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.289 4.882 -20.647 1.00 0.00 H new ATOM 120 N GLY A 12 -1.403 3.098 -20.022 1.00 0.00 N ATOM 121 CA GLY A 12 -0.274 3.262 -20.931 1.00 0.00 C ATOM 122 C GLY A 12 0.694 2.111 -20.804 1.00 0.00 C ATOM 123 O GLY A 12 0.637 1.317 -19.854 1.00 0.00 O ATOM 0 H GLY A 12 -1.229 2.451 -19.253 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.635 3.326 -21.957 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.239 4.199 -20.714 1.00 0.00 H new ATOM 127 N TYR A 13 1.590 1.974 -21.766 1.00 0.00 N ATOM 128 CA TYR A 13 2.673 0.998 -21.665 1.00 0.00 C ATOM 129 C TYR A 13 3.898 1.605 -21.019 1.00 0.00 C ATOM 130 O TYR A 13 4.691 2.335 -21.620 1.00 0.00 O ATOM 131 CB TYR A 13 3.093 0.446 -23.057 1.00 0.00 C ATOM 132 CG TYR A 13 3.304 1.410 -24.226 1.00 0.00 C ATOM 133 CD1 TYR A 13 3.357 2.793 -24.032 1.00 0.00 C ATOM 134 CD2 TYR A 13 3.457 0.895 -25.523 1.00 0.00 C ATOM 135 CE1 TYR A 13 3.647 3.642 -25.098 1.00 0.00 C ATOM 136 CE2 TYR A 13 3.757 1.744 -26.584 1.00 0.00 C ATOM 137 CZ TYR A 13 3.829 3.118 -26.374 1.00 0.00 C ATOM 138 OH TYR A 13 4.082 3.957 -27.423 1.00 0.00 O ATOM 0 H TYR A 13 1.593 2.523 -22.626 1.00 0.00 H new ATOM 0 HA TYR A 13 2.286 0.183 -21.053 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.022 -0.107 -22.920 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.335 -0.275 -23.363 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.172 3.206 -23.051 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.341 -0.164 -25.698 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.730 4.706 -24.934 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.934 1.337 -27.569 1.00 0.00 H new ATOM 0 HH TYR A 13 4.185 3.432 -28.244 1.00 0.00 H new ATOM 148 N VAL A 14 4.090 1.271 -19.749 1.00 0.00 N ATOM 149 CA VAL A 14 5.141 1.879 -18.940 1.00 0.00 C ATOM 150 C VAL A 14 5.852 0.843 -18.101 1.00 0.00 C ATOM 151 O VAL A 14 5.656 -0.369 -18.246 1.00 0.00 O ATOM 152 CB VAL A 14 4.527 3.005 -18.015 1.00 0.00 C ATOM 153 CG1 VAL A 14 3.919 4.236 -18.739 1.00 0.00 C ATOM 154 CG2 VAL A 14 3.415 2.500 -17.065 1.00 0.00 C ATOM 0 H VAL A 14 3.528 0.578 -19.254 1.00 0.00 H new ATOM 0 HA VAL A 14 5.873 2.327 -19.612 1.00 0.00 H new ATOM 0 HB VAL A 14 5.422 3.309 -17.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.531 4.937 -18.000 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.690 4.726 -19.334 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.109 3.911 -19.392 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.045 3.331 -16.464 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.596 2.084 -17.652 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.819 1.729 -16.409 1.00 0.00 H new ATOM 164 N THR A 15 6.702 1.318 -17.207 1.00 0.00 N ATOM 165 CA THR A 15 7.335 0.447 -16.220 1.00 0.00 C ATOM 166 C THR A 15 6.611 0.527 -14.896 1.00 0.00 C ATOM 167 O THR A 15 6.573 1.579 -14.244 1.00 0.00 O ATOM 168 CB THR A 15 8.849 0.807 -16.045 1.00 0.00 C ATOM 169 OG1 THR A 15 9.300 1.607 -17.130 1.00 0.00 O ATOM 170 CG2 THR A 15 9.835 -0.381 -16.004 1.00 0.00 C ATOM 0 H THR A 15 6.972 2.299 -17.141 1.00 0.00 H new ATOM 0 HA THR A 15 7.272 -0.578 -16.584 1.00 0.00 H new ATOM 0 HB THR A 15 8.862 1.305 -15.076 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.247 1.825 -17.004 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.851 -0.006 -15.880 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.584 -1.033 -15.168 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.767 -0.943 -16.936 1.00 0.00 H new ATOM 178 N ARG A 16 6.038 -0.580 -14.463 1.00 0.00 N ATOM 179 CA ARG A 16 5.186 -0.583 -13.277 1.00 0.00 C ATOM 180 C ARG A 16 5.410 -1.818 -12.424 1.00 0.00 C ATOM 181 O ARG A 16 6.234 -2.695 -12.698 1.00 0.00 O ATOM 182 CB ARG A 16 3.687 -0.505 -13.696 1.00 0.00 C ATOM 183 CG ARG A 16 3.164 -1.825 -14.342 1.00 0.00 C ATOM 184 CD ARG A 16 1.813 -2.263 -13.764 1.00 0.00 C ATOM 185 NE ARG A 16 1.382 -3.515 -14.436 1.00 0.00 N ATOM 186 CZ ARG A 16 2.001 -4.686 -14.370 1.00 0.00 C ATOM 187 NH1 ARG A 16 3.072 -4.913 -13.669 1.00 0.00 N ATOM 188 NH2 ARG A 16 1.500 -5.661 -15.045 1.00 0.00 N ATOM 0 H ARG A 16 6.144 -1.491 -14.910 1.00 0.00 H new ATOM 0 HA ARG A 16 5.451 0.291 -12.682 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.082 -0.272 -12.820 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.555 0.315 -14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.068 -1.686 -15.419 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.896 -2.617 -14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.898 -2.423 -12.689 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.069 -1.481 -13.912 1.00 0.00 H new ATOM 0 HE ARG A 16 0.533 -3.470 -14.999 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.491 -4.162 -13.121 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.493 -5.842 -13.667 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.658 -5.516 -15.603 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.945 -6.579 -15.022 1.00 0.00 H new ATOM 202 N LYS A 17 4.638 -1.890 -11.354 1.00 0.00 N ATOM 203 CA LYS A 17 4.541 -3.080 -10.513 1.00 0.00 C ATOM 204 C LYS A 17 3.269 -3.045 -9.693 1.00 0.00 C ATOM 205 O LYS A 17 2.638 -1.981 -9.541 1.00 0.00 O ATOM 206 CB LYS A 17 5.789 -3.196 -9.598 1.00 0.00 C ATOM 207 CG LYS A 17 5.460 -3.378 -8.095 1.00 0.00 C ATOM 208 CD LYS A 17 6.648 -3.149 -7.153 1.00 0.00 C ATOM 209 CE LYS A 17 7.802 -2.526 -7.952 1.00 0.00 C ATOM 210 NZ LYS A 17 7.363 -1.242 -8.525 1.00 0.00 N ATOM 0 H LYS A 17 4.052 -1.117 -11.037 1.00 0.00 H new ATOM 0 HA LYS A 17 4.506 -3.961 -11.154 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.393 -4.040 -9.931 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.399 -2.301 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.660 -2.689 -7.825 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.078 -4.387 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.358 -2.491 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.964 -4.093 -6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.665 -2.372 -7.305 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.116 -3.203 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.696 -1.168 -9.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.324 -1.191 -8.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.758 -0.459 -7.966 1.00 0.00 H new ATOM 224 N HIS A 18 2.839 -4.174 -9.165 1.00 0.00 N ATOM 225 CA HIS A 18 1.584 -4.246 -8.415 1.00 0.00 C ATOM 226 C HIS A 18 1.705 -5.224 -7.273 1.00 0.00 C ATOM 227 O HIS A 18 0.834 -6.068 -7.036 1.00 0.00 O ATOM 228 CB HIS A 18 0.515 -4.717 -9.415 1.00 0.00 C ATOM 229 CG HIS A 18 0.863 -6.043 -10.028 1.00 0.00 C ATOM 230 ND1 HIS A 18 1.719 -6.241 -11.108 1.00 0.00 N ATOM 231 CD2 HIS A 18 0.350 -7.244 -9.558 1.00 0.00 C ATOM 232 CE1 HIS A 18 1.660 -7.583 -11.204 1.00 0.00 C ATOM 233 NE2 HIS A 18 0.869 -8.255 -10.325 1.00 0.00 N ATOM 0 H HIS A 18 3.337 -5.061 -9.238 1.00 0.00 H new ATOM 0 HA HIS A 18 1.325 -3.280 -7.982 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.447 -4.793 -8.908 1.00 0.00 H new ATOM 0 HB3 HIS A 18 0.402 -3.972 -10.203 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.337 -7.361 -8.733 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.225 -8.111 -11.958 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.703 -9.259 -10.254 1.00 0.00 H new ATOM 445 N TRP A 32 9.379 -4.914 -10.649 1.00 0.00 N ATOM 446 CA TRP A 32 8.836 -3.943 -11.592 1.00 0.00 C ATOM 447 C TRP A 32 8.734 -4.542 -12.977 1.00 0.00 C ATOM 448 O TRP A 32 9.751 -4.762 -13.656 1.00 0.00 O ATOM 449 CB TRP A 32 9.766 -2.696 -11.645 1.00 0.00 C ATOM 450 CG TRP A 32 10.041 -1.997 -10.310 1.00 0.00 C ATOM 451 CD1 TRP A 32 10.769 -2.535 -9.228 1.00 0.00 C ATOM 452 CD2 TRP A 32 9.732 -0.702 -9.946 1.00 0.00 C ATOM 453 NE1 TRP A 32 10.923 -1.599 -8.187 1.00 0.00 N ATOM 454 CE2 TRP A 32 10.275 -0.469 -8.658 1.00 0.00 C ATOM 455 CE3 TRP A 32 9.008 0.318 -10.618 1.00 0.00 C ATOM 456 CZ2 TRP A 32 10.135 0.799 -8.051 1.00 0.00 C ATOM 457 CZ3 TRP A 32 8.897 1.566 -10.005 1.00 0.00 C ATOM 458 CH2 TRP A 32 9.491 1.816 -8.760 1.00 0.00 C ATOM 0 HA TRP A 32 7.839 -3.655 -11.257 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.720 -2.999 -12.075 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.325 -1.969 -12.327 1.00 0.00 H new ATOM 0 HD1 TRP A 32 11.160 -3.541 -9.201 1.00 0.00 H new ATOM 0 HE1 TRP A 32 11.400 -1.724 -7.294 1.00 0.00 H new ATOM 0 HE3 TRP A 32 8.554 0.132 -11.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 10.519 0.979 -7.058 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 8.344 2.352 -10.497 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.450 2.811 -8.342 1.00 0.00 H new ATOM 469 N ASP A 33 7.526 -4.811 -13.437 1.00 0.00 N ATOM 470 CA ASP A 33 7.321 -5.411 -14.756 1.00 0.00 C ATOM 471 C ASP A 33 6.975 -4.359 -15.783 1.00 0.00 C ATOM 472 O ASP A 33 6.264 -3.386 -15.509 1.00 0.00 O ATOM 473 CB ASP A 33 6.241 -6.522 -14.680 1.00 0.00 C ATOM 474 CG ASP A 33 6.649 -7.912 -15.191 1.00 0.00 C ATOM 475 OD1 ASP A 33 7.716 -7.870 -16.045 1.00 0.00 O ATOM 476 OD2 ASP A 33 6.086 -8.940 -14.846 1.00 0.00 O ATOM 0 H ASP A 33 6.666 -4.626 -12.921 1.00 0.00 H new ATOM 0 HA ASP A 33 8.254 -5.875 -15.077 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.925 -6.620 -13.641 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.371 -6.192 -15.248 1.00 0.00 H new ATOM 481 N LYS A 34 7.495 -4.527 -16.985 1.00 0.00 N ATOM 482 CA LYS A 34 7.177 -3.638 -18.100 1.00 0.00 C ATOM 483 C LYS A 34 6.068 -4.219 -18.948 1.00 0.00 C ATOM 484 O LYS A 34 6.197 -5.306 -19.526 1.00 0.00 O ATOM 485 CB LYS A 34 8.447 -3.380 -18.961 1.00 0.00 C ATOM 486 CG LYS A 34 9.780 -3.388 -18.169 1.00 0.00 C ATOM 487 CD LYS A 34 10.925 -4.136 -18.860 1.00 0.00 C ATOM 488 CE LYS A 34 12.213 -3.306 -18.757 1.00 0.00 C ATOM 489 NZ LYS A 34 13.186 -3.787 -19.753 1.00 0.00 N ATOM 0 H LYS A 34 8.146 -5.276 -17.221 1.00 0.00 H new ATOM 0 HA LYS A 34 6.831 -2.686 -17.696 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.500 -4.138 -19.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.342 -2.416 -19.459 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.090 -2.358 -17.993 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.605 -3.839 -17.192 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.070 -5.111 -18.395 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.678 -4.315 -19.906 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.994 -2.252 -18.926 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.632 -3.388 -17.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 14.059 -3.226 -19.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.403 -4.788 -19.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.784 -3.687 -20.707 1.00 0.00 H new ATOM 503 N VAL A 35 4.967 -3.500 -19.058 1.00 0.00 N ATOM 504 CA VAL A 35 3.776 -4.008 -19.734 1.00 0.00 C ATOM 505 C VAL A 35 2.818 -2.886 -20.059 1.00 0.00 C ATOM 506 O VAL A 35 3.143 -1.698 -19.951 1.00 0.00 O ATOM 507 CB VAL A 35 3.061 -5.094 -18.834 1.00 0.00 C ATOM 508 CG1 VAL A 35 3.960 -5.846 -17.815 1.00 0.00 C ATOM 509 CG2 VAL A 35 1.876 -4.538 -18.004 1.00 0.00 C ATOM 0 H VAL A 35 4.867 -2.555 -18.687 1.00 0.00 H new ATOM 0 HA VAL A 35 4.087 -4.471 -20.671 1.00 0.00 H new ATOM 0 HB VAL A 35 2.731 -5.790 -19.605 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.357 -6.563 -17.258 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.751 -6.374 -18.348 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.403 -5.130 -17.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.437 -5.342 -17.413 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.235 -3.753 -17.339 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.122 -4.128 -18.676 1.00 0.00 H new ATOM 519 N TYR A 36 1.622 -3.252 -20.483 1.00 0.00 N ATOM 520 CA TYR A 36 0.542 -2.279 -20.659 1.00 0.00 C ATOM 521 C TYR A 36 -0.414 -2.353 -19.491 1.00 0.00 C ATOM 522 O TYR A 36 -0.628 -3.432 -18.906 1.00 0.00 O ATOM 523 CB TYR A 36 -0.276 -2.536 -21.958 1.00 0.00 C ATOM 524 CG TYR A 36 -0.009 -1.606 -23.149 1.00 0.00 C ATOM 525 CD1 TYR A 36 -0.210 -0.229 -23.015 1.00 0.00 C ATOM 526 CD2 TYR A 36 0.426 -2.123 -24.372 1.00 0.00 C ATOM 527 CE1 TYR A 36 -0.073 0.609 -24.118 1.00 0.00 C ATOM 528 CE2 TYR A 36 0.563 -1.284 -25.475 1.00 0.00 C ATOM 529 CZ TYR A 36 0.296 0.078 -25.352 1.00 0.00 C ATOM 530 OH TYR A 36 0.394 0.891 -26.444 1.00 0.00 O ATOM 0 H TYR A 36 1.367 -4.212 -20.713 1.00 0.00 H new ATOM 0 HA TYR A 36 1.012 -1.298 -20.724 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.087 -3.560 -22.280 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.335 -2.471 -21.709 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.472 0.186 -22.053 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.656 -3.174 -24.462 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.252 1.669 -24.017 1.00 0.00 H new ATOM 0 HE2 TYR A 36 0.876 -1.689 -26.426 1.00 0.00 H new ATOM 0 HH TYR A 36 1.321 1.190 -26.547 1.00 0.00 H new ATOM 540 N MET A 37 -0.986 -1.225 -19.106 1.00 0.00 N ATOM 541 CA MET A 37 -1.879 -1.196 -17.951 1.00 0.00 C ATOM 542 C MET A 37 -3.072 -0.285 -18.170 1.00 0.00 C ATOM 543 O MET A 37 -3.094 0.629 -18.999 1.00 0.00 O ATOM 544 CB MET A 37 -1.133 -0.763 -16.654 1.00 0.00 C ATOM 545 CG MET A 37 0.388 -1.020 -16.638 1.00 0.00 C ATOM 546 SD MET A 37 1.239 0.394 -15.921 1.00 0.00 S ATOM 547 CE MET A 37 -0.161 1.512 -15.769 1.00 0.00 C ATOM 0 H MET A 37 -0.853 -0.325 -19.567 1.00 0.00 H new ATOM 0 HA MET A 37 -2.241 -2.217 -17.829 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.304 0.302 -16.497 1.00 0.00 H new ATOM 0 HB3 MET A 37 -1.580 -1.286 -15.808 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.608 -1.919 -16.062 1.00 0.00 H new ATOM 0 HG3 MET A 37 0.747 -1.196 -17.652 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.153 2.421 -15.257 1.00 0.00 H new ATOM 0 HE2 MET A 37 -0.534 1.765 -16.761 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.952 1.028 -15.196 1.00 0.00 H new ATOM 557 N ALA A 38 -4.089 -0.526 -17.356 1.00 0.00 N ATOM 558 CA ALA A 38 -5.280 0.311 -17.278 1.00 0.00 C ATOM 559 C ALA A 38 -5.760 0.368 -15.838 1.00 0.00 C ATOM 560 O ALA A 38 -6.782 -0.200 -15.440 1.00 0.00 O ATOM 561 CB ALA A 38 -6.330 -0.248 -18.249 1.00 0.00 C ATOM 0 H ALA A 38 -4.111 -1.323 -16.719 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.071 1.338 -17.577 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.230 0.366 -18.205 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.931 -0.235 -19.263 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.576 -1.272 -17.969 1.00 0.00 H new ATOM 567 N ALA A 39 -4.970 1.046 -15.024 1.00 0.00 N ATOM 568 CA ALA A 39 -5.146 1.069 -13.578 1.00 0.00 C ATOM 569 C ALA A 39 -4.832 2.438 -13.022 1.00 0.00 C ATOM 570 O ALA A 39 -4.526 3.400 -13.735 1.00 0.00 O ATOM 571 CB ALA A 39 -4.247 -0.035 -12.988 1.00 0.00 C ATOM 0 H ALA A 39 -4.179 1.603 -15.349 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.182 0.871 -13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.352 -0.049 -11.903 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.545 -1.002 -13.394 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.208 0.164 -13.249 1.00 0.00 H new ATOM 577 N LYS A 40 -4.986 2.557 -11.712 1.00 0.00 N ATOM 578 CA LYS A 40 -4.558 3.739 -10.975 1.00 0.00 C ATOM 579 C LYS A 40 -4.465 3.472 -9.486 1.00 0.00 C ATOM 580 O LYS A 40 -3.478 3.761 -8.807 1.00 0.00 O ATOM 581 CB LYS A 40 -5.565 4.898 -11.231 1.00 0.00 C ATOM 582 CG LYS A 40 -6.920 4.438 -11.838 1.00 0.00 C ATOM 583 CD LYS A 40 -7.830 3.554 -10.977 1.00 0.00 C ATOM 584 CE LYS A 40 -9.275 3.694 -11.483 1.00 0.00 C ATOM 585 NZ LYS A 40 -10.202 3.697 -10.338 1.00 0.00 N ATOM 0 H LYS A 40 -5.411 1.837 -11.128 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.564 4.013 -11.328 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.757 5.413 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.105 5.623 -11.903 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.483 5.330 -12.112 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -6.707 3.899 -12.761 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.509 2.514 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.766 3.852 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.383 4.616 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.516 2.872 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.048 4.253 -10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.481 2.720 -10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.732 4.120 -9.512 1.00 0.00 H new ATOM 599 N ALA A 41 -5.543 2.921 -8.961 1.00 0.00 N ATOM 600 CA ALA A 41 -5.780 2.844 -7.524 1.00 0.00 C ATOM 601 C ALA A 41 -7.146 2.239 -7.251 1.00 0.00 C ATOM 602 O ALA A 41 -7.312 1.075 -6.879 1.00 0.00 O ATOM 603 CB ALA A 41 -5.618 4.277 -6.962 1.00 0.00 C ATOM 0 H ALA A 41 -6.289 2.509 -9.522 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.066 2.189 -7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.787 4.267 -5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.610 4.637 -7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.343 4.938 -7.437 1.00 0.00 H new ATOM 609 N GLY A 42 -8.156 3.075 -7.430 1.00 0.00 N ATOM 610 CA GLY A 42 -9.563 2.701 -7.403 1.00 0.00 C ATOM 611 C GLY A 42 -9.794 1.320 -7.964 1.00 0.00 C ATOM 612 O GLY A 42 -10.626 0.559 -7.438 1.00 0.00 O ATOM 0 H GLY A 42 -8.014 4.070 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.929 2.741 -6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.141 3.426 -7.976 1.00 0.00 H new ATOM 616 N ARG A 43 -9.106 0.973 -9.035 1.00 0.00 N ATOM 617 CA ARG A 43 -9.100 -0.396 -9.550 1.00 0.00 C ATOM 618 C ARG A 43 -7.881 -0.636 -10.415 1.00 0.00 C ATOM 619 O ARG A 43 -7.144 0.290 -10.768 1.00 0.00 O ATOM 620 CB ARG A 43 -10.394 -0.660 -10.373 1.00 0.00 C ATOM 621 CG ARG A 43 -11.731 -0.140 -9.779 1.00 0.00 C ATOM 622 CD ARG A 43 -12.906 -1.082 -10.074 1.00 0.00 C ATOM 623 NE ARG A 43 -12.836 -1.484 -11.502 1.00 0.00 N ATOM 624 CZ ARG A 43 -13.264 -0.763 -12.529 1.00 0.00 C ATOM 625 NH1 ARG A 43 -13.814 0.412 -12.421 1.00 0.00 N ATOM 626 NH2 ARG A 43 -13.124 -1.262 -13.705 1.00 0.00 N ATOM 0 H ARG A 43 -8.536 1.624 -9.575 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.066 -1.083 -8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.265 -0.212 -11.358 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.486 -1.736 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.625 -0.022 -8.701 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.948 0.847 -10.188 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.859 -1.960 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.853 -0.584 -9.866 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.423 -2.393 -11.711 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.939 0.834 -11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.120 0.910 -13.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -12.697 -2.181 -13.822 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -13.440 -0.739 -14.522 1.00 0.00 H new ATOM 640 N ILE A 44 -7.668 -1.879 -10.805 1.00 0.00 N ATOM 641 CA ILE A 44 -6.624 -2.222 -11.766 1.00 0.00 C ATOM 642 C ILE A 44 -7.147 -3.170 -12.823 1.00 0.00 C ATOM 643 O ILE A 44 -8.059 -3.969 -12.588 1.00 0.00 O ATOM 644 CB ILE A 44 -5.335 -2.830 -11.068 1.00 0.00 C ATOM 645 CG1 ILE A 44 -4.427 -1.817 -10.299 1.00 0.00 C ATOM 646 CG2 ILE A 44 -4.428 -3.607 -12.077 1.00 0.00 C ATOM 647 CD1 ILE A 44 -5.127 -0.863 -9.310 1.00 0.00 C ATOM 0 H ILE A 44 -8.207 -2.678 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.325 -1.290 -12.247 1.00 0.00 H new ATOM 0 HB ILE A 44 -5.772 -3.499 -10.326 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.676 -2.384 -9.749 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.895 -1.213 -11.034 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.559 -4.005 -11.553 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.994 -4.428 -12.517 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.098 -2.930 -12.865 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.386 -0.214 -8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.857 -0.255 -9.845 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.634 -1.445 -8.540 1.00 0.00 H new ATOM 659 N SER A 45 -6.583 -3.077 -14.011 1.00 0.00 N ATOM 660 CA SER A 45 -6.825 -4.053 -15.075 1.00 0.00 C ATOM 661 C SER A 45 -5.578 -4.225 -15.912 1.00 0.00 C ATOM 662 O SER A 45 -5.105 -3.267 -16.553 1.00 0.00 O ATOM 663 CB SER A 45 -8.053 -3.663 -15.934 1.00 0.00 C ATOM 664 OG SER A 45 -8.903 -4.778 -16.230 1.00 0.00 O ATOM 0 H SER A 45 -5.944 -2.327 -14.274 1.00 0.00 H new ATOM 0 HA SER A 45 -7.061 -5.015 -14.619 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.630 -2.902 -15.409 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.710 -3.216 -16.867 1.00 0.00 H new ATOM 0 HG SER A 45 -9.662 -4.476 -16.772 1.00 0.00 H new ATOM 670 N PHE A 46 -5.019 -5.419 -15.959 1.00 0.00 N ATOM 671 CA PHE A 46 -3.704 -5.625 -16.575 1.00 0.00 C ATOM 672 C PHE A 46 -3.762 -6.301 -17.924 1.00 0.00 C ATOM 673 O PHE A 46 -4.626 -7.132 -18.217 1.00 0.00 O ATOM 674 CB PHE A 46 -2.836 -6.504 -15.615 1.00 0.00 C ATOM 675 CG PHE A 46 -2.292 -5.758 -14.384 1.00 0.00 C ATOM 676 CD1 PHE A 46 -1.674 -4.513 -14.553 1.00 0.00 C ATOM 677 CD2 PHE A 46 -2.469 -6.267 -13.096 1.00 0.00 C ATOM 678 CE1 PHE A 46 -1.290 -3.764 -13.446 1.00 0.00 C ATOM 679 CE2 PHE A 46 -2.084 -5.516 -11.988 1.00 0.00 C ATOM 680 CZ PHE A 46 -1.545 -4.241 -12.163 1.00 0.00 C ATOM 0 H PHE A 46 -5.446 -6.265 -15.582 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.272 -4.637 -16.734 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.435 -7.350 -15.276 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.996 -6.913 -16.177 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.495 -4.133 -15.548 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.905 -7.245 -12.959 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.795 -2.814 -13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.203 -5.920 -10.994 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.326 -3.624 -11.304 1.00 0.00 H new ATOM 690 N TYR A 47 -2.828 -5.923 -18.789 1.00 0.00 N ATOM 691 CA TYR A 47 -2.643 -6.577 -20.079 1.00 0.00 C ATOM 692 C TYR A 47 -1.256 -6.327 -20.625 1.00 0.00 C ATOM 693 O TYR A 47 -0.873 -5.167 -20.864 1.00 0.00 O ATOM 694 CB TYR A 47 -3.662 -6.035 -21.125 1.00 0.00 C ATOM 695 CG TYR A 47 -3.707 -4.516 -21.333 1.00 0.00 C ATOM 696 CD1 TYR A 47 -4.104 -3.682 -20.282 1.00 0.00 C ATOM 697 CD2 TYR A 47 -3.366 -3.955 -22.567 1.00 0.00 C ATOM 698 CE1 TYR A 47 -4.223 -2.310 -20.484 1.00 0.00 C ATOM 699 CE2 TYR A 47 -3.503 -2.583 -22.771 1.00 0.00 C ATOM 700 CZ TYR A 47 -3.879 -1.757 -21.715 1.00 0.00 C ATOM 701 OH TYR A 47 -3.909 -0.403 -21.889 1.00 0.00 O ATOM 0 H TYR A 47 -2.179 -5.156 -18.616 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.795 -7.644 -19.915 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -3.442 -6.502 -22.085 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -4.658 -6.366 -20.830 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.319 -4.104 -19.311 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.996 -4.585 -23.363 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.582 -1.675 -19.687 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.318 -2.161 -23.748 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.671 0.040 -21.048 1.00 0.00 H new ATOM 711 N LYS A 48 -0.467 -7.363 -20.836 1.00 0.00 N ATOM 712 CA LYS A 48 0.819 -7.215 -21.523 1.00 0.00 C ATOM 713 C LYS A 48 0.628 -6.639 -22.909 1.00 0.00 C ATOM 714 O LYS A 48 1.473 -5.909 -23.438 1.00 0.00 O ATOM 715 CB LYS A 48 1.554 -8.580 -21.592 1.00 0.00 C ATOM 716 CG LYS A 48 2.612 -8.771 -20.477 1.00 0.00 C ATOM 717 CD LYS A 48 3.981 -8.154 -20.780 1.00 0.00 C ATOM 718 CE LYS A 48 5.079 -9.187 -20.491 1.00 0.00 C ATOM 719 NZ LYS A 48 5.947 -9.324 -21.673 1.00 0.00 N ATOM 0 H LYS A 48 -0.685 -8.316 -20.546 1.00 0.00 H new ATOM 0 HA LYS A 48 1.434 -6.519 -20.953 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.819 -9.383 -21.526 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.041 -8.673 -22.563 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.229 -8.336 -19.554 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.742 -9.838 -20.297 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.028 -7.839 -21.822 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.134 -7.263 -20.170 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.668 -8.876 -19.628 1.00 0.00 H new ATOM 0 HE3 LYS A 48 4.632 -10.149 -20.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.691 -10.024 -21.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.380 -9.639 -22.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.384 -8.406 -21.891 1.00 0.00 H new ATOM 733 N ASP A 49 -0.499 -6.968 -23.514 1.00 0.00 N ATOM 734 CA ASP A 49 -0.805 -6.556 -24.880 1.00 0.00 C ATOM 735 C ASP A 49 -2.224 -6.922 -25.251 1.00 0.00 C ATOM 736 O ASP A 49 -3.087 -7.132 -24.391 1.00 0.00 O ATOM 737 CB ASP A 49 0.223 -7.168 -25.867 1.00 0.00 C ATOM 738 CG ASP A 49 1.105 -6.186 -26.653 1.00 0.00 C ATOM 739 OD1 ASP A 49 0.508 -4.971 -26.841 1.00 0.00 O ATOM 740 OD2 ASP A 49 2.224 -6.470 -27.057 1.00 0.00 O ATOM 0 H ASP A 49 -1.230 -7.528 -23.076 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.727 -5.471 -24.944 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.877 -7.835 -25.305 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.321 -7.784 -26.584 1.00 0.00 H new ATOM 745 N GLN A 50 -2.495 -6.981 -26.541 1.00 0.00 N ATOM 746 CA GLN A 50 -3.775 -7.471 -27.044 1.00 0.00 C ATOM 747 C GLN A 50 -3.729 -8.966 -27.250 1.00 0.00 C ATOM 748 O GLN A 50 -3.896 -9.476 -28.362 1.00 0.00 O ATOM 749 CB GLN A 50 -4.098 -6.743 -28.367 1.00 0.00 C ATOM 750 CG GLN A 50 -4.739 -5.321 -28.256 1.00 0.00 C ATOM 751 CD GLN A 50 -5.112 -4.570 -29.540 1.00 0.00 C ATOM 752 OE1 GLN A 50 -5.411 -5.172 -30.559 1.00 0.00 O ATOM 753 NE2 GLN A 50 -5.091 -3.261 -29.562 1.00 0.00 N ATOM 0 H GLN A 50 -1.842 -6.694 -27.270 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.559 -7.265 -26.315 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.175 -6.655 -28.939 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.772 -7.374 -28.945 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.644 -5.414 -27.655 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.048 -4.691 -27.696 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.844 -2.741 -28.720 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.322 -2.762 -30.421 1.00 0.00 H new ATOM 762 N LYS A 51 -3.547 -9.706 -26.168 1.00 0.00 N ATOM 763 CA LYS A 51 -3.295 -11.146 -26.243 1.00 0.00 C ATOM 764 C LYS A 51 -4.430 -11.922 -25.622 1.00 0.00 C ATOM 765 O LYS A 51 -5.320 -12.430 -26.343 1.00 0.00 O ATOM 766 CB LYS A 51 -1.945 -11.481 -25.552 1.00 0.00 C ATOM 767 CG LYS A 51 -1.592 -10.642 -24.300 1.00 0.00 C ATOM 768 CD LYS A 51 -1.361 -11.451 -23.020 1.00 0.00 C ATOM 769 CE LYS A 51 -0.522 -12.693 -23.341 1.00 0.00 C ATOM 770 NZ LYS A 51 -1.397 -13.877 -23.401 1.00 0.00 N ATOM 0 H LYS A 51 -3.568 -9.335 -25.218 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.231 -11.439 -27.291 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.958 -12.533 -25.267 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.146 -11.358 -26.283 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.694 -10.062 -24.512 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.397 -9.929 -24.121 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.851 -10.838 -22.277 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.317 -11.747 -22.587 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.006 -12.560 -24.292 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.245 -12.833 -22.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.291 -14.431 -22.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.386 -13.573 -23.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -1.131 -14.464 -24.217 1.00 0.00 H new ATOM 784 N GLY A 52 -4.436 -12.099 -24.316 1.00 0.00 N ATOM 785 CA GLY A 52 -5.645 -12.625 -23.642 1.00 0.00 C ATOM 786 C GLY A 52 -6.808 -11.747 -24.125 1.00 0.00 C ATOM 787 O GLY A 52 -7.916 -12.195 -24.427 1.00 0.00 O ATOM 0 H GLY A 52 -3.649 -11.898 -23.699 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.812 -13.671 -23.899 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.541 -12.575 -22.558 1.00 0.00 H new ATOM 791 N TYR A 53 -6.489 -10.469 -24.240 1.00 0.00 N ATOM 792 CA TYR A 53 -7.379 -9.480 -24.838 1.00 0.00 C ATOM 793 C TYR A 53 -7.761 -9.851 -26.254 1.00 0.00 C ATOM 794 O TYR A 53 -8.953 -9.772 -26.627 1.00 0.00 O ATOM 795 CB TYR A 53 -6.695 -8.080 -24.883 1.00 0.00 C ATOM 796 CG TYR A 53 -7.232 -7.019 -23.916 1.00 0.00 C ATOM 797 CD1 TYR A 53 -7.388 -7.306 -22.557 1.00 0.00 C ATOM 798 CD2 TYR A 53 -7.578 -5.752 -24.396 1.00 0.00 C ATOM 799 CE1 TYR A 53 -7.910 -6.345 -21.694 1.00 0.00 C ATOM 800 CE2 TYR A 53 -8.116 -4.799 -23.537 1.00 0.00 C ATOM 801 CZ TYR A 53 -8.306 -5.107 -22.191 1.00 0.00 C ATOM 802 OH TYR A 53 -8.888 -4.194 -21.357 1.00 0.00 O ATOM 0 H TYR A 53 -5.601 -10.083 -23.920 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.273 -9.452 -24.215 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.632 -8.214 -24.684 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.783 -7.691 -25.897 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.103 -8.275 -22.175 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.427 -5.512 -25.438 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.007 -6.561 -20.640 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.386 -3.823 -23.912 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.104 -3.382 -21.861 1.00 0.00 H new ATOM 812 N LYS A 54 -6.816 -10.222 -27.096 1.00 0.00 N ATOM 813 CA LYS A 54 -7.121 -10.746 -28.432 1.00 0.00 C ATOM 814 C LYS A 54 -8.270 -11.729 -28.401 1.00 0.00 C ATOM 815 O LYS A 54 -9.309 -11.541 -29.052 1.00 0.00 O ATOM 816 CB LYS A 54 -5.849 -11.407 -29.031 1.00 0.00 C ATOM 817 CG LYS A 54 -5.331 -10.745 -30.337 1.00 0.00 C ATOM 818 CD LYS A 54 -5.692 -9.272 -30.536 1.00 0.00 C ATOM 819 CE LYS A 54 -4.737 -8.646 -31.561 1.00 0.00 C ATOM 820 NZ LYS A 54 -5.502 -8.205 -32.741 1.00 0.00 N ATOM 0 H LYS A 54 -5.819 -10.173 -26.885 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.430 -9.914 -29.064 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.055 -11.378 -28.285 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.061 -12.457 -29.231 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.245 -10.838 -30.361 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.718 -11.310 -31.185 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.722 -9.182 -30.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.625 -8.739 -29.588 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.214 -7.799 -31.117 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.978 -9.370 -31.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.855 -7.781 -33.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.982 -9.022 -33.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.210 -7.500 -32.452 1.00 0.00 H new ATOM 834 N SER A 55 -8.114 -12.801 -27.647 1.00 0.00 N ATOM 835 CA SER A 55 -9.092 -13.887 -27.644 1.00 0.00 C ATOM 836 C SER A 55 -10.204 -13.616 -26.659 1.00 0.00 C ATOM 837 O SER A 55 -11.382 -13.504 -27.019 1.00 0.00 O ATOM 838 CB SER A 55 -8.405 -15.248 -27.368 1.00 0.00 C ATOM 839 OG SER A 55 -7.539 -15.659 -28.431 1.00 0.00 O ATOM 0 H SER A 55 -7.319 -12.949 -27.025 1.00 0.00 H new ATOM 0 HA SER A 55 -9.542 -13.940 -28.635 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.831 -15.179 -26.444 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.169 -16.010 -27.213 1.00 0.00 H new ATOM 0 HG SER A 55 -7.131 -16.521 -28.206 1.00 0.00 H new ATOM 845 N ASN A 56 -9.848 -13.526 -25.391 1.00 0.00 N ATOM 846 CA ASN A 56 -10.825 -13.384 -24.315 1.00 0.00 C ATOM 847 C ASN A 56 -10.578 -12.121 -23.525 1.00 0.00 C ATOM 848 O ASN A 56 -9.783 -12.089 -22.586 1.00 0.00 O ATOM 849 CB ASN A 56 -10.758 -14.633 -23.386 1.00 0.00 C ATOM 850 CG ASN A 56 -11.180 -15.973 -23.994 1.00 0.00 C ATOM 851 OD1 ASN A 56 -10.593 -16.474 -24.943 1.00 0.00 O ATOM 852 ND2 ASN A 56 -12.202 -16.604 -23.481 1.00 0.00 N ATOM 0 H ASN A 56 -8.879 -13.549 -25.074 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.822 -13.313 -24.750 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.735 -14.732 -23.024 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -11.386 -14.443 -22.516 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -12.498 -17.498 -23.872 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.704 -16.202 -22.689 1.00 0.00 H new ATOM 859 N PRO A 57 -11.279 -11.061 -23.878 1.00 0.00 N ATOM 860 CA PRO A 57 -11.123 -9.645 -23.313 1.00 0.00 C ATOM 861 C PRO A 57 -11.281 -9.533 -21.812 1.00 0.00 C ATOM 862 O PRO A 57 -10.799 -8.587 -21.178 1.00 0.00 O ATOM 863 CB PRO A 57 -12.199 -8.789 -23.971 1.00 0.00 C ATOM 864 CG PRO A 57 -12.438 -9.535 -25.298 1.00 0.00 C ATOM 865 CD PRO A 57 -12.372 -11.007 -24.878 1.00 0.00 C ATOM 0 HA PRO A 57 -10.104 -9.323 -23.527 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -13.104 -8.735 -23.365 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.862 -7.765 -24.134 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.404 -9.282 -25.736 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.678 -9.292 -26.041 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.318 -11.340 -24.450 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -12.162 -11.654 -25.730 1.00 0.00 H new ATOM 873 N GLU A 58 -11.981 -10.485 -21.210 1.00 0.00 N ATOM 874 CA GLU A 58 -12.090 -10.589 -19.761 1.00 0.00 C ATOM 875 C GLU A 58 -10.756 -10.939 -19.140 1.00 0.00 C ATOM 876 O GLU A 58 -10.339 -10.358 -18.128 1.00 0.00 O ATOM 877 CB GLU A 58 -13.170 -11.654 -19.421 1.00 0.00 C ATOM 878 CG GLU A 58 -13.304 -12.875 -20.389 1.00 0.00 C ATOM 879 CD GLU A 58 -14.474 -12.894 -21.376 1.00 0.00 C ATOM 880 OE1 GLU A 58 -15.661 -12.515 -20.828 1.00 0.00 O ATOM 881 OE2 GLU A 58 -14.349 -13.222 -22.550 1.00 0.00 O ATOM 0 H GLU A 58 -12.491 -11.210 -21.715 1.00 0.00 H new ATOM 0 HA GLU A 58 -12.388 -9.627 -19.345 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.963 -12.037 -18.422 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.136 -11.152 -19.376 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.382 -12.945 -20.966 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.368 -13.777 -19.780 1.00 0.00 H new ATOM 888 N LEU A 59 -10.068 -11.907 -19.715 1.00 0.00 N ATOM 889 CA LEU A 59 -8.709 -12.245 -19.301 1.00 0.00 C ATOM 890 C LEU A 59 -7.680 -11.511 -20.130 1.00 0.00 C ATOM 891 O LEU A 59 -7.996 -10.684 -20.991 1.00 0.00 O ATOM 892 CB LEU A 59 -8.482 -13.782 -19.375 1.00 0.00 C ATOM 893 CG LEU A 59 -9.587 -14.716 -18.812 1.00 0.00 C ATOM 894 CD1 LEU A 59 -8.950 -15.958 -18.170 1.00 0.00 C ATOM 895 CD2 LEU A 59 -10.494 -14.013 -17.790 1.00 0.00 C ATOM 0 H LEU A 59 -10.427 -12.481 -20.478 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.587 -11.926 -18.266 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.325 -14.045 -20.421 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.555 -14.007 -18.847 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.214 -15.009 -19.654 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.733 -16.607 -17.778 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -8.372 -16.499 -18.919 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.293 -15.651 -17.357 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -11.248 -14.713 -17.430 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.893 -13.663 -16.950 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.985 -13.163 -18.264 1.00 0.00 H new ATOM 907 N THR A 60 -6.418 -11.808 -19.875 1.00 0.00 N ATOM 908 CA THR A 60 -5.296 -11.151 -20.543 1.00 0.00 C ATOM 909 C THR A 60 -4.039 -11.977 -20.405 1.00 0.00 C ATOM 910 O THR A 60 -4.117 -13.193 -20.120 1.00 0.00 O ATOM 911 CB THR A 60 -5.083 -9.708 -19.970 1.00 0.00 C ATOM 912 OG1 THR A 60 -4.028 -9.670 -19.019 1.00 0.00 O ATOM 913 CG2 THR A 60 -6.290 -9.091 -19.226 1.00 0.00 C ATOM 0 H THR A 60 -6.136 -12.515 -19.196 1.00 0.00 H new ATOM 0 HA THR A 60 -5.529 -11.063 -21.604 1.00 0.00 H new ATOM 0 HB THR A 60 -4.882 -9.136 -20.876 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.018 -8.796 -18.577 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.029 -8.093 -18.874 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.141 -9.025 -19.904 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.553 -9.719 -18.375 1.00 0.00 H new ATOM 921 N PHE A 61 -2.877 -11.390 -20.622 1.00 0.00 N ATOM 922 CA PHE A 61 -1.620 -12.088 -20.303 1.00 0.00 C ATOM 923 C PHE A 61 -1.704 -12.622 -18.892 1.00 0.00 C ATOM 924 O PHE A 61 -2.313 -11.939 -18.029 1.00 0.00 O ATOM 925 CB PHE A 61 -0.406 -11.121 -20.426 1.00 0.00 C ATOM 926 CG PHE A 61 0.445 -10.808 -19.187 1.00 0.00 C ATOM 927 CD1 PHE A 61 0.097 -9.732 -18.362 1.00 0.00 C ATOM 928 CD2 PHE A 61 1.603 -11.539 -18.911 1.00 0.00 C ATOM 929 CE1 PHE A 61 0.916 -9.366 -17.301 1.00 0.00 C ATOM 930 CE2 PHE A 61 2.419 -11.178 -17.840 1.00 0.00 C ATOM 931 CZ PHE A 61 2.084 -10.082 -17.047 1.00 0.00 C ATOM 0 H PHE A 61 -2.764 -10.453 -21.009 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.477 -12.907 -21.008 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.261 -11.531 -21.184 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.782 -10.173 -20.811 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.814 -9.183 -18.551 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.866 -12.385 -19.528 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.648 -8.528 -16.674 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.311 -11.748 -17.625 1.00 0.00 H new ATOM 0 HZ PHE A 61 2.731 -9.787 -16.234 1.00 0.00 H new ATOM 941 N ARG A 62 -1.140 -13.765 -18.564 1.00 0.00 N ATOM 942 CA ARG A 62 -1.394 -14.407 -17.274 1.00 0.00 C ATOM 943 C ARG A 62 -1.088 -13.494 -16.113 1.00 0.00 C ATOM 944 O ARG A 62 -1.388 -13.836 -14.947 1.00 0.00 O ATOM 945 CB ARG A 62 -0.580 -15.726 -17.204 1.00 0.00 C ATOM 946 CG ARG A 62 -0.472 -16.342 -15.781 1.00 0.00 C ATOM 947 CD ARG A 62 0.155 -17.740 -15.778 1.00 0.00 C ATOM 948 NE ARG A 62 0.746 -17.993 -17.117 1.00 0.00 N ATOM 949 CZ ARG A 62 1.934 -17.571 -17.526 1.00 0.00 C ATOM 950 NH1 ARG A 62 2.721 -16.806 -16.828 1.00 0.00 N ATOM 951 NH2 ARG A 62 2.328 -17.947 -18.690 1.00 0.00 N ATOM 0 H ARG A 62 -0.499 -14.277 -19.170 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.457 -14.636 -17.195 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.039 -16.457 -17.869 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.425 -15.538 -17.582 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.123 -15.682 -15.150 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.467 -16.395 -15.338 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.921 -17.810 -15.006 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.599 -18.493 -15.548 1.00 0.00 H new ATOM 0 HE ARG A 62 0.191 -18.537 -17.777 1.00 0.00 H new ATOM 0 HH11 ARG A 62 2.436 -16.492 -15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.623 -16.520 -17.208 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.733 -18.547 -19.261 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.236 -17.645 -19.043 1.00 0.00 H new ATOM 965 N GLY A 63 -0.475 -12.352 -16.342 1.00 0.00 N ATOM 966 CA GLY A 63 -0.430 -11.288 -15.336 1.00 0.00 C ATOM 967 C GLY A 63 -1.659 -10.385 -15.596 1.00 0.00 C ATOM 968 O GLY A 63 -1.588 -9.173 -15.799 1.00 0.00 O ATOM 0 H GLY A 63 0.003 -12.127 -17.215 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.461 -11.705 -14.329 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.495 -10.717 -15.417 1.00 0.00 H new ATOM 972 N GLU A 64 -2.792 -11.057 -15.602 1.00 0.00 N ATOM 973 CA GLU A 64 -4.066 -10.473 -16.024 1.00 0.00 C ATOM 974 C GLU A 64 -4.860 -9.742 -14.961 1.00 0.00 C ATOM 975 O GLU A 64 -5.659 -8.852 -15.291 1.00 0.00 O ATOM 976 CB GLU A 64 -4.916 -11.664 -16.582 1.00 0.00 C ATOM 977 CG GLU A 64 -5.138 -12.872 -15.613 1.00 0.00 C ATOM 978 CD GLU A 64 -6.538 -13.479 -15.499 1.00 0.00 C ATOM 979 OE1 GLU A 64 -6.854 -14.326 -16.516 1.00 0.00 O ATOM 980 OE2 GLU A 64 -7.300 -13.222 -14.576 1.00 0.00 O ATOM 0 H GLU A 64 -2.864 -12.033 -15.313 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.840 -9.695 -16.753 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.892 -11.279 -16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.433 -12.035 -17.486 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.457 -13.667 -15.916 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.834 -12.555 -14.616 1.00 0.00 H new ATOM 987 N PRO A 65 -4.712 -10.076 -13.697 1.00 0.00 N ATOM 988 CA PRO A 65 -5.474 -9.590 -12.470 1.00 0.00 C ATOM 989 C PRO A 65 -5.924 -8.136 -12.430 1.00 0.00 C ATOM 990 O PRO A 65 -5.565 -7.261 -13.225 1.00 0.00 O ATOM 991 CB PRO A 65 -4.517 -9.794 -11.296 1.00 0.00 C ATOM 992 CG PRO A 65 -3.849 -11.121 -11.684 1.00 0.00 C ATOM 993 CD PRO A 65 -3.705 -11.067 -13.202 1.00 0.00 C ATOM 0 HA PRO A 65 -6.407 -10.154 -12.458 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -3.796 -8.981 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -5.042 -9.861 -10.343 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.878 -11.230 -11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -4.456 -11.972 -11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.696 -10.767 -13.484 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -3.880 -12.049 -13.642 1.00 0.00 H new ATOM 1001 N SER A 66 -6.736 -7.854 -11.414 1.00 0.00 N ATOM 1002 CA SER A 66 -7.361 -6.550 -11.223 1.00 0.00 C ATOM 1003 C SER A 66 -7.347 -6.160 -9.761 1.00 0.00 C ATOM 1004 O SER A 66 -6.840 -6.881 -8.893 1.00 0.00 O ATOM 1005 CB SER A 66 -8.796 -6.540 -11.806 1.00 0.00 C ATOM 1006 OG SER A 66 -8.815 -6.480 -13.237 1.00 0.00 O ATOM 0 H SER A 66 -6.980 -8.533 -10.693 1.00 0.00 H new ATOM 0 HA SER A 66 -6.782 -5.804 -11.767 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.323 -7.436 -11.478 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.340 -5.685 -11.404 1.00 0.00 H new ATOM 0 HG SER A 66 -8.701 -5.551 -13.527 1.00 0.00 H new ATOM 1012 N TYR A 67 -7.930 -5.013 -9.461 1.00 0.00 N ATOM 1013 CA TYR A 67 -7.975 -4.474 -8.104 1.00 0.00 C ATOM 1014 C TYR A 67 -9.151 -3.538 -7.937 1.00 0.00 C ATOM 1015 O TYR A 67 -9.863 -3.207 -8.893 1.00 0.00 O ATOM 1016 CB TYR A 67 -6.675 -3.686 -7.778 1.00 0.00 C ATOM 1017 CG TYR A 67 -5.455 -4.516 -7.358 1.00 0.00 C ATOM 1018 CD1 TYR A 67 -5.256 -4.805 -6.001 1.00 0.00 C ATOM 1019 CD2 TYR A 67 -4.535 -4.984 -8.300 1.00 0.00 C ATOM 1020 CE1 TYR A 67 -4.112 -5.483 -5.589 1.00 0.00 C ATOM 1021 CE2 TYR A 67 -3.380 -5.642 -7.883 1.00 0.00 C ATOM 1022 CZ TYR A 67 -3.180 -5.910 -6.532 1.00 0.00 C ATOM 1023 OH TYR A 67 -2.065 -6.591 -6.130 1.00 0.00 O ATOM 0 H TYR A 67 -8.390 -4.422 -10.153 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.075 -5.320 -7.424 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.403 -3.100 -8.656 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.897 -2.978 -6.979 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.993 -4.501 -5.272 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.720 -4.835 -9.354 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.947 -5.678 -4.540 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.639 -5.944 -8.609 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.280 -6.238 -6.598 1.00 0.00 H new ATOM 1033 N ASP A 68 -9.386 -3.115 -6.710 1.00 0.00 N ATOM 1034 CA ASP A 68 -10.566 -2.323 -6.368 1.00 0.00 C ATOM 1035 C ASP A 68 -10.276 -1.411 -5.200 1.00 0.00 C ATOM 1036 O ASP A 68 -10.913 -1.478 -4.138 1.00 0.00 O ATOM 1037 CB ASP A 68 -11.776 -3.256 -6.096 1.00 0.00 C ATOM 1038 CG ASP A 68 -13.162 -2.596 -6.044 1.00 0.00 C ATOM 1039 OD1 ASP A 68 -13.208 -1.407 -6.719 1.00 0.00 O ATOM 1040 OD2 ASP A 68 -14.118 -3.101 -5.475 1.00 0.00 O ATOM 0 H ASP A 68 -8.770 -3.307 -5.920 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.826 -1.686 -7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -11.794 -4.023 -6.870 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.606 -3.765 -5.147 1.00 0.00 H new ATOM 1045 N LEU A 69 -9.322 -0.511 -5.370 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.806 0.301 -4.270 1.00 0.00 C ATOM 1047 C LEU A 69 -9.071 1.784 -4.367 1.00 0.00 C ATOM 1048 O LEU A 69 -8.202 2.557 -4.835 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.256 0.077 -4.148 1.00 0.00 C ATOM 1050 CG LEU A 69 -6.742 -0.968 -3.126 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -7.126 -0.619 -1.675 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -7.269 -2.367 -3.474 1.00 0.00 C ATOM 0 H LEU A 69 -8.882 -0.320 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.352 -0.037 -3.389 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.883 -0.209 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.800 1.036 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.654 -0.956 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.740 -1.385 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.698 0.347 -1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.211 -0.572 -1.587 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.897 -3.087 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.359 -2.360 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.925 -2.648 -4.470 1.00 0.00 H new ATOM 1064 N GLN A 70 -10.196 2.279 -3.886 1.00 0.00 N ATOM 1065 CA GLN A 70 -10.400 3.713 -3.693 1.00 0.00 C ATOM 1066 C GLN A 70 -9.964 4.130 -2.303 1.00 0.00 C ATOM 1067 O GLN A 70 -10.354 5.162 -1.748 1.00 0.00 O ATOM 1068 CB GLN A 70 -11.886 4.058 -3.923 1.00 0.00 C ATOM 1069 CG GLN A 70 -12.915 2.884 -3.825 1.00 0.00 C ATOM 1070 CD GLN A 70 -14.346 3.101 -4.334 1.00 0.00 C ATOM 1071 OE1 GLN A 70 -15.307 2.664 -3.721 1.00 0.00 O ATOM 1072 NE2 GLN A 70 -14.553 3.788 -5.429 1.00 0.00 N ATOM 0 H GLN A 70 -10.995 1.705 -3.617 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.793 4.260 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.172 4.820 -3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.979 4.508 -4.911 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.498 2.036 -4.368 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.980 2.591 -2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.762 4.161 -5.954 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.505 3.950 -5.757 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.143 3.294 -1.695 1.00 0.00 N ATOM 1082 CA ASN A 71 -8.701 3.396 -0.306 1.00 0.00 C ATOM 1083 C ASN A 71 -7.230 3.734 -0.232 1.00 0.00 C ATOM 1084 O ASN A 71 -6.767 4.490 0.627 1.00 0.00 O ATOM 1085 CB ASN A 71 -8.983 2.032 0.396 1.00 0.00 C ATOM 1086 CG ASN A 71 -10.288 1.922 1.190 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -10.325 1.634 2.376 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -11.415 2.124 0.557 1.00 0.00 N ATOM 0 H ASN A 71 -8.745 2.486 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.245 4.196 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.981 1.251 -0.365 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.155 1.820 1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.301 2.040 1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.407 2.366 -0.434 1.00 0.00 H new ATOM 1095 N ALA A 72 -6.464 3.142 -1.135 1.00 0.00 N ATOM 1096 CA ALA A 72 -5.007 3.229 -1.132 1.00 0.00 C ATOM 1097 C ALA A 72 -4.530 4.653 -0.967 1.00 0.00 C ATOM 1098 O ALA A 72 -5.010 5.586 -1.621 1.00 0.00 O ATOM 1099 CB ALA A 72 -4.499 2.588 -2.438 1.00 0.00 C ATOM 0 H ALA A 72 -6.838 2.581 -1.900 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.599 2.690 -0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.410 2.637 -2.468 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.817 1.546 -2.480 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.910 3.127 -3.292 1.00 0.00 H new ATOM 1105 N ALA A 73 -3.555 4.833 -0.094 1.00 0.00 N ATOM 1106 CA ALA A 73 -2.888 6.121 0.078 1.00 0.00 C ATOM 1107 C ALA A 73 -2.126 6.505 -1.168 1.00 0.00 C ATOM 1108 O ALA A 73 -2.282 5.909 -2.240 1.00 0.00 O ATOM 1109 CB ALA A 73 -1.989 6.018 1.322 1.00 0.00 C ATOM 0 H ALA A 73 -3.201 4.096 0.516 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.614 6.919 0.232 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.475 6.966 1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.600 5.788 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.254 5.227 1.175 1.00 0.00 H new ATOM 1115 N ILE A 74 -1.268 7.500 -1.038 1.00 0.00 N ATOM 1116 CA ILE A 74 -0.568 8.075 -2.184 1.00 0.00 C ATOM 1117 C ILE A 74 0.793 8.589 -1.783 1.00 0.00 C ATOM 1118 O ILE A 74 0.959 9.262 -0.757 1.00 0.00 O ATOM 1119 CB ILE A 74 -1.440 9.194 -2.887 1.00 0.00 C ATOM 1120 CG1 ILE A 74 -2.775 8.677 -3.512 1.00 0.00 C ATOM 1121 CG2 ILE A 74 -0.656 9.971 -3.989 1.00 0.00 C ATOM 1122 CD1 ILE A 74 -3.790 9.759 -3.935 1.00 0.00 C ATOM 0 H ILE A 74 -1.034 7.933 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.413 7.284 -2.918 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.687 9.864 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.533 8.073 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.258 8.016 -2.792 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.305 10.724 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.212 10.458 -3.544 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.326 9.275 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.676 9.283 -4.355 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.074 10.351 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.338 10.409 -4.685 1.00 0.00 H new ATOM 1134 N GLU A 75 1.803 8.264 -2.571 1.00 0.00 N ATOM 1135 CA GLU A 75 3.148 8.788 -2.349 1.00 0.00 C ATOM 1136 C GLU A 75 4.018 8.602 -3.572 1.00 0.00 C ATOM 1137 O GLU A 75 3.622 7.996 -4.573 1.00 0.00 O ATOM 1138 CB GLU A 75 3.759 8.070 -1.113 1.00 0.00 C ATOM 1139 CG GLU A 75 4.744 8.894 -0.219 1.00 0.00 C ATOM 1140 CD GLU A 75 4.559 8.848 1.299 1.00 0.00 C ATOM 1141 OE1 GLU A 75 3.484 8.612 1.834 1.00 0.00 O ATOM 1142 OE2 GLU A 75 5.702 9.096 1.997 1.00 0.00 O ATOM 0 H GLU A 75 1.721 7.639 -3.373 1.00 0.00 H new ATOM 0 HA GLU A 75 3.094 9.860 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.939 7.726 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.285 7.182 -1.464 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.756 8.555 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 75 4.681 9.937 -0.530 1.00 0.00 H new ATOM 1149 N ILE A 76 5.228 9.127 -3.501 1.00 0.00 N ATOM 1150 CA ILE A 76 6.169 9.089 -4.617 1.00 0.00 C ATOM 1151 C ILE A 76 7.537 8.647 -4.156 1.00 0.00 C ATOM 1152 O ILE A 76 7.899 8.777 -2.979 1.00 0.00 O ATOM 1153 CB ILE A 76 6.226 10.482 -5.369 1.00 0.00 C ATOM 1154 CG1 ILE A 76 4.914 10.877 -6.121 1.00 0.00 C ATOM 1155 CG2 ILE A 76 7.409 10.571 -6.382 1.00 0.00 C ATOM 1156 CD1 ILE A 76 3.731 11.311 -5.230 1.00 0.00 C ATOM 0 H ILE A 76 5.591 9.593 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 76 5.810 8.351 -5.334 1.00 0.00 H new ATOM 0 HB ILE A 76 6.372 11.190 -4.553 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.143 11.691 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.596 10.028 -6.726 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.399 11.547 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.352 10.439 -5.852 1.00 0.00 H new ATOM 0 HG23 ILE A 76 7.303 9.790 -7.135 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.876 11.562 -5.857 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.462 10.495 -4.559 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.018 12.183 -4.643 1.00 0.00 H new ATOM 1168 N ALA A 77 8.326 8.112 -5.069 1.00 0.00 N ATOM 1169 CA ALA A 77 9.722 7.785 -4.779 1.00 0.00 C ATOM 1170 C ALA A 77 10.464 9.009 -4.296 1.00 0.00 C ATOM 1171 O ALA A 77 10.342 10.104 -4.866 1.00 0.00 O ATOM 1172 CB ALA A 77 10.334 7.174 -6.051 1.00 0.00 C ATOM 0 H ALA A 77 8.030 7.892 -6.020 1.00 0.00 H new ATOM 0 HA ALA A 77 9.797 7.057 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.378 6.919 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 77 9.783 6.274 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.276 7.896 -6.866 1.00 0.00 H new ATOM 1236 N LYS A 82 17.733 6.297 -9.950 1.00 0.00 N ATOM 1237 CA LYS A 82 17.119 6.087 -11.261 1.00 0.00 C ATOM 1238 C LYS A 82 15.615 6.167 -11.157 1.00 0.00 C ATOM 1239 O LYS A 82 14.916 6.442 -12.146 1.00 0.00 O ATOM 1240 CB LYS A 82 17.567 4.725 -11.856 1.00 0.00 C ATOM 1241 CG LYS A 82 18.854 4.132 -11.232 1.00 0.00 C ATOM 1242 CD LYS A 82 19.441 2.931 -11.980 1.00 0.00 C ATOM 1243 CE LYS A 82 20.084 3.415 -13.286 1.00 0.00 C ATOM 1244 NZ LYS A 82 21.397 4.017 -12.992 1.00 0.00 N ATOM 0 HA LYS A 82 17.453 6.876 -11.935 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.756 4.007 -11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 82 17.723 4.847 -12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 82 19.610 4.915 -11.183 1.00 0.00 H new ATOM 0 HG3 LYS A 82 18.638 3.832 -10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 82 20.183 2.428 -11.360 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.659 2.203 -12.194 1.00 0.00 H new ATOM 0 HE2 LYS A 82 20.201 2.581 -13.978 1.00 0.00 H new ATOM 0 HE3 LYS A 82 19.438 4.145 -13.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 21.488 4.918 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 21.479 4.189 -11.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 22.152 3.369 -13.296 1.00 0.00 H new ATOM 1258 N LYS A 83 15.085 5.900 -9.980 1.00 0.00 N ATOM 1259 CA LYS A 83 13.664 6.168 -9.723 1.00 0.00 C ATOM 1260 C LYS A 83 13.525 7.565 -9.160 1.00 0.00 C ATOM 1261 O LYS A 83 14.269 8.472 -9.636 1.00 0.00 O ATOM 1262 CB LYS A 83 13.066 5.048 -8.827 1.00 0.00 C ATOM 1263 CG LYS A 83 13.543 3.642 -9.287 1.00 0.00 C ATOM 1264 CD LYS A 83 12.613 2.478 -8.944 1.00 0.00 C ATOM 1265 CE LYS A 83 12.995 1.257 -9.794 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.455 1.065 -9.745 1.00 0.00 N ATOM 0 H LYS A 83 15.597 5.504 -9.192 1.00 0.00 H new ATOM 0 HA LYS A 83 13.080 6.144 -10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.360 5.213 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.978 5.094 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.685 3.663 -10.368 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.518 3.446 -8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.690 2.236 -7.884 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.577 2.757 -9.133 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.487 0.367 -9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.670 1.401 -10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.680 0.067 -9.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.908 1.664 -10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.808 1.328 -8.803 1.00 0.00 H new ATOM 1280 N LYS A 84 12.686 7.835 -8.181 1.00 0.00 N ATOM 1281 CA LYS A 84 12.388 9.225 -7.806 1.00 0.00 C ATOM 1282 C LYS A 84 11.790 9.980 -8.979 1.00 0.00 C ATOM 1283 O LYS A 84 11.703 11.212 -9.028 1.00 0.00 O ATOM 1284 CB LYS A 84 13.688 9.918 -7.322 1.00 0.00 C ATOM 1285 CG LYS A 84 13.631 10.439 -5.865 1.00 0.00 C ATOM 1286 CD LYS A 84 13.654 11.966 -5.730 1.00 0.00 C ATOM 1287 CE LYS A 84 14.978 12.500 -6.293 1.00 0.00 C ATOM 1288 NZ LYS A 84 14.707 13.341 -7.473 1.00 0.00 N ATOM 0 H LYS A 84 12.198 7.129 -7.630 1.00 0.00 H new ATOM 0 HA LYS A 84 11.657 9.226 -6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.515 9.214 -7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.908 10.754 -7.986 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.725 10.060 -5.393 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.475 10.026 -5.312 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.813 12.404 -6.268 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.547 12.253 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 84 15.501 13.080 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.630 11.670 -6.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.566 13.410 -8.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 13.942 12.916 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.422 14.292 -7.163 1.00 0.00 H new ATOM 1302 N HIS A 85 11.338 9.220 -9.956 1.00 0.00 N ATOM 1303 CA HIS A 85 10.699 9.698 -11.180 1.00 0.00 C ATOM 1304 C HIS A 85 9.436 8.881 -11.402 1.00 0.00 C ATOM 1305 O HIS A 85 8.990 8.574 -12.509 1.00 0.00 O ATOM 1306 CB HIS A 85 11.707 9.461 -12.316 1.00 0.00 C ATOM 1307 CG HIS A 85 12.953 10.289 -12.194 1.00 0.00 C ATOM 1308 ND1 HIS A 85 14.226 9.742 -12.107 1.00 0.00 N flip ATOM 1309 CD2 HIS A 85 12.993 11.682 -12.156 1.00 0.00 C flip ATOM 1310 CE1 HIS A 85 15.126 10.774 -12.013 1.00 0.00 C flip ATOM 1311 NE2 HIS A 85 14.322 11.872 -12.051 1.00 0.00 N flip ATOM 0 H HIS A 85 11.406 8.203 -9.923 1.00 0.00 H new ATOM 0 HA HIS A 85 10.427 10.752 -11.131 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.982 8.406 -12.333 1.00 0.00 H new ATOM 0 HB3 HIS A 85 11.226 9.681 -13.269 1.00 0.00 H new ATOM 0 HD1 HIS A 85 14.453 8.748 -12.112 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.189 12.402 -12.199 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.202 10.727 -11.930 1.00 0.00 H new ATOM 1319 N VAL A 86 8.847 8.489 -10.283 1.00 0.00 N ATOM 1320 CA VAL A 86 7.777 7.501 -10.220 1.00 0.00 C ATOM 1321 C VAL A 86 6.617 8.002 -9.395 1.00 0.00 C ATOM 1322 O VAL A 86 6.667 9.075 -8.780 1.00 0.00 O ATOM 1323 CB VAL A 86 8.352 6.155 -9.605 1.00 0.00 C ATOM 1324 CG1 VAL A 86 8.120 5.935 -8.083 1.00 0.00 C ATOM 1325 CG2 VAL A 86 7.819 4.872 -10.286 1.00 0.00 C ATOM 0 H VAL A 86 9.106 8.858 -9.368 1.00 0.00 H new ATOM 0 HA VAL A 86 7.406 7.318 -11.228 1.00 0.00 H new ATOM 0 HB VAL A 86 9.415 6.308 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 86 8.557 4.983 -7.782 1.00 0.00 H new ATOM 0 HG12 VAL A 86 8.590 6.743 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.050 5.924 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.259 3.997 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.734 4.832 -10.188 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.088 4.882 -11.342 1.00 0.00 H new ATOM 1335 N LEU A 87 5.555 7.223 -9.352 1.00 0.00 N ATOM 1336 CA LEU A 87 4.430 7.468 -8.448 1.00 0.00 C ATOM 1337 C LEU A 87 4.007 6.169 -7.796 1.00 0.00 C ATOM 1338 O LEU A 87 4.195 5.085 -8.366 1.00 0.00 O ATOM 1339 CB LEU A 87 3.250 8.168 -9.179 1.00 0.00 C ATOM 1340 CG LEU A 87 2.166 7.255 -9.825 1.00 0.00 C ATOM 1341 CD1 LEU A 87 1.325 6.512 -8.772 1.00 0.00 C ATOM 1342 CD2 LEU A 87 1.242 8.100 -10.711 1.00 0.00 C ATOM 0 H LEU A 87 5.440 6.398 -9.941 1.00 0.00 H new ATOM 0 HA LEU A 87 4.752 8.154 -7.664 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.755 8.826 -8.466 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.667 8.802 -9.962 1.00 0.00 H new ATOM 0 HG LEU A 87 2.685 6.505 -10.422 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.584 5.889 -9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.976 5.884 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.819 7.236 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.484 7.459 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.756 8.865 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.828 8.577 -11.497 1.00 0.00 H new ATOM 1354 N ARG A 88 3.452 6.240 -6.604 1.00 0.00 N ATOM 1355 CA ARG A 88 3.195 5.041 -5.806 1.00 0.00 C ATOM 1356 C ARG A 88 1.963 5.177 -4.943 1.00 0.00 C ATOM 1357 O ARG A 88 1.976 5.811 -3.881 1.00 0.00 O ATOM 1358 CB ARG A 88 4.458 4.760 -4.944 1.00 0.00 C ATOM 1359 CG ARG A 88 4.358 3.610 -3.910 1.00 0.00 C ATOM 1360 CD ARG A 88 5.724 3.275 -3.288 1.00 0.00 C ATOM 1361 NE ARG A 88 6.122 4.404 -2.409 1.00 0.00 N ATOM 1362 CZ ARG A 88 6.808 4.300 -1.280 1.00 0.00 C ATOM 1363 NH1 ARG A 88 7.237 3.177 -0.784 1.00 0.00 N ATOM 1364 NH2 ARG A 88 7.061 5.384 -0.636 1.00 0.00 N ATOM 0 H ARG A 88 3.167 7.112 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 88 2.997 4.203 -6.474 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.286 4.540 -5.617 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.715 5.675 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.660 3.891 -3.122 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.952 2.722 -4.394 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.664 2.350 -2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 88 6.469 3.119 -4.068 1.00 0.00 H new ATOM 0 HE ARG A 88 5.843 5.341 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.050 2.300 -1.271 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.760 3.173 0.092 1.00 0.00 H new ATOM 0 HH21 ARG A 88 6.736 6.280 -0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.586 5.347 0.238 1.00 0.00 H new ATOM 1378 N VAL A 89 0.878 4.560 -5.374 1.00 0.00 N ATOM 1379 CA VAL A 89 -0.329 4.466 -4.555 1.00 0.00 C ATOM 1380 C VAL A 89 -0.363 3.150 -3.814 1.00 0.00 C ATOM 1381 O VAL A 89 -0.366 2.067 -4.415 1.00 0.00 O ATOM 1382 CB VAL A 89 -1.628 4.637 -5.438 1.00 0.00 C ATOM 1383 CG1 VAL A 89 -1.555 4.058 -6.878 1.00 0.00 C ATOM 1384 CG2 VAL A 89 -2.901 4.030 -4.785 1.00 0.00 C ATOM 0 H VAL A 89 0.802 4.114 -6.288 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.307 5.276 -3.826 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.690 5.723 -5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.502 4.233 -7.389 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -0.750 4.548 -7.427 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.362 2.986 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.756 4.182 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.753 2.962 -4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.088 4.519 -3.829 1.00 0.00 H new ATOM 1394 N LYS A 90 -0.388 3.214 -2.496 1.00 0.00 N ATOM 1395 CA LYS A 90 -0.274 2.013 -1.672 1.00 0.00 C ATOM 1396 C LYS A 90 -1.614 1.603 -1.111 1.00 0.00 C ATOM 1397 O LYS A 90 -2.328 2.386 -0.475 1.00 0.00 O ATOM 1398 CB LYS A 90 0.749 2.264 -0.530 1.00 0.00 C ATOM 1399 CG LYS A 90 1.665 3.489 -0.771 1.00 0.00 C ATOM 1400 CD LYS A 90 2.820 3.634 0.223 1.00 0.00 C ATOM 1401 CE LYS A 90 3.076 5.123 0.490 1.00 0.00 C ATOM 1402 NZ LYS A 90 2.294 5.552 1.661 1.00 0.00 N ATOM 0 H LYS A 90 -0.486 4.081 -1.968 1.00 0.00 H new ATOM 0 HA LYS A 90 0.080 1.193 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.208 2.405 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.369 1.376 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.077 3.424 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.057 4.393 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 90 2.579 3.122 1.155 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.719 3.164 -0.176 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.138 5.295 0.665 1.00 0.00 H new ATOM 0 HE3 LYS A 90 2.798 5.713 -0.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 2.531 6.537 1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.279 5.481 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 2.519 4.941 2.472 1.00 0.00 H new ATOM 1416 N LEU A 91 -1.992 0.360 -1.360 1.00 0.00 N ATOM 1417 CA LEU A 91 -3.181 -0.216 -0.741 1.00 0.00 C ATOM 1418 C LEU A 91 -2.991 -0.322 0.758 1.00 0.00 C ATOM 1419 O LEU A 91 -2.120 0.322 1.352 1.00 0.00 O ATOM 1420 CB LEU A 91 -3.519 -1.622 -1.324 1.00 0.00 C ATOM 1421 CG LEU A 91 -3.371 -1.912 -2.847 1.00 0.00 C ATOM 1422 CD1 LEU A 91 -1.900 -2.150 -3.211 1.00 0.00 C ATOM 1423 CD2 LEU A 91 -4.204 -3.141 -3.282 1.00 0.00 C ATOM 0 H LEU A 91 -1.494 -0.272 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.016 0.449 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.895 -2.345 -0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.553 -1.839 -1.056 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.745 -1.035 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.817 -2.351 -4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.316 -1.264 -2.962 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.520 -3.004 -2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.073 -3.309 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.869 -4.021 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.258 -2.960 -3.069 1.00 0.00 H new ATOM 1435 N ALA A 92 -3.807 -1.151 1.379 1.00 0.00 N ATOM 1436 CA ALA A 92 -3.622 -1.520 2.779 1.00 0.00 C ATOM 1437 C ALA A 92 -3.585 -3.024 2.938 1.00 0.00 C ATOM 1438 O ALA A 92 -3.812 -3.553 4.041 1.00 0.00 O ATOM 1439 CB ALA A 92 -4.748 -0.859 3.592 1.00 0.00 C ATOM 0 H ALA A 92 -4.614 -1.589 0.935 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.663 -1.162 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.636 -1.117 4.645 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.693 0.223 3.476 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.714 -1.214 3.232 1.00 0.00 H new ATOM 1445 N ASN A 93 -3.295 -3.751 1.876 1.00 0.00 N ATOM 1446 CA ASN A 93 -3.090 -5.200 1.970 1.00 0.00 C ATOM 1447 C ASN A 93 -1.619 -5.541 2.006 1.00 0.00 C ATOM 1448 O ASN A 93 -1.228 -6.657 2.395 1.00 0.00 O ATOM 1449 CB ASN A 93 -3.791 -5.919 0.779 1.00 0.00 C ATOM 1450 CG ASN A 93 -3.474 -5.422 -0.635 1.00 0.00 C ATOM 1451 OD1 ASN A 93 -2.562 -4.642 -0.868 1.00 0.00 O ATOM 1452 ND2 ASN A 93 -4.193 -5.869 -1.631 1.00 0.00 N ATOM 0 H ASN A 93 -3.194 -3.371 0.935 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.535 -5.548 2.902 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.536 -6.978 0.828 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.868 -5.844 0.928 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.989 -5.566 -2.583 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.958 -6.520 -1.456 1.00 0.00 H new ATOM 1459 N GLY A 94 -0.767 -4.624 1.589 1.00 0.00 N ATOM 1460 CA GLY A 94 0.681 -4.805 1.716 1.00 0.00 C ATOM 1461 C GLY A 94 1.395 -4.310 0.481 1.00 0.00 C ATOM 1462 O GLY A 94 2.523 -3.799 0.545 1.00 0.00 O ATOM 0 H GLY A 94 -1.045 -3.742 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.044 -4.266 2.591 1.00 0.00 H new ATOM 0 HA3 GLY A 94 0.907 -5.859 1.874 1.00 0.00 H new ATOM 1466 N ALA A 95 0.758 -4.438 -0.668 1.00 0.00 N ATOM 1467 CA ALA A 95 1.396 -4.117 -1.943 1.00 0.00 C ATOM 1468 C ALA A 95 1.208 -2.660 -2.293 1.00 0.00 C ATOM 1469 O ALA A 95 0.417 -1.939 -1.666 1.00 0.00 O ATOM 1470 CB ALA A 95 0.815 -5.065 -3.005 1.00 0.00 C ATOM 0 H ALA A 95 -0.205 -4.763 -0.750 1.00 0.00 H new ATOM 0 HA ALA A 95 2.474 -4.265 -1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.271 -4.852 -3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.024 -6.097 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.263 -4.919 -3.072 1.00 0.00 H new ATOM 1476 N LEU A 96 1.942 -2.184 -3.281 1.00 0.00 N ATOM 1477 CA LEU A 96 1.743 -0.834 -3.805 1.00 0.00 C ATOM 1478 C LEU A 96 1.926 -0.801 -5.303 1.00 0.00 C ATOM 1479 O LEU A 96 2.781 -1.507 -5.863 1.00 0.00 O ATOM 1480 CB LEU A 96 2.702 0.167 -3.103 1.00 0.00 C ATOM 1481 CG LEU A 96 4.019 -0.386 -2.493 1.00 0.00 C ATOM 1482 CD1 LEU A 96 3.753 -0.949 -1.088 1.00 0.00 C ATOM 1483 CD2 LEU A 96 4.674 -1.468 -3.367 1.00 0.00 C ATOM 0 H LEU A 96 2.685 -2.709 -3.742 1.00 0.00 H new ATOM 0 HA LEU A 96 0.718 -0.532 -3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 96 2.968 0.937 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 96 2.145 0.658 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 96 4.716 0.450 -2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.682 -1.334 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.366 -0.158 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.022 -1.755 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.590 -1.816 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.986 -2.305 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.911 -1.051 -4.346 1.00 0.00 H new ATOM 1495 N PHE A 97 1.130 0.001 -5.993 1.00 0.00 N ATOM 1496 CA PHE A 97 1.291 0.167 -7.440 1.00 0.00 C ATOM 1497 C PHE A 97 2.254 1.290 -7.741 1.00 0.00 C ATOM 1498 O PHE A 97 1.897 2.475 -7.726 1.00 0.00 O ATOM 1499 CB PHE A 97 -0.079 0.475 -8.124 1.00 0.00 C ATOM 1500 CG PHE A 97 -1.274 -0.356 -7.630 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.160 -1.740 -7.470 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.475 0.281 -7.299 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -2.250 -2.483 -7.024 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -3.565 -0.464 -6.861 1.00 0.00 C ATOM 1505 CZ PHE A 97 -3.466 -1.850 -6.765 1.00 0.00 C ATOM 0 H PHE A 97 0.370 0.545 -5.584 1.00 0.00 H new ATOM 0 HA PHE A 97 1.686 -0.769 -7.836 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.308 1.530 -7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.029 0.319 -9.197 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.226 -2.234 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.556 1.355 -7.384 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.154 -3.549 -6.879 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.487 0.032 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.331 -2.435 -6.490 1.00 0.00 H new ATOM 1515 N LEU A 98 3.505 0.945 -7.996 1.00 0.00 N ATOM 1516 CA LEU A 98 4.509 1.934 -8.390 1.00 0.00 C ATOM 1517 C LEU A 98 4.452 2.186 -9.877 1.00 0.00 C ATOM 1518 O LEU A 98 4.151 1.276 -10.670 1.00 0.00 O ATOM 1519 CB LEU A 98 5.938 1.492 -7.960 1.00 0.00 C ATOM 1520 CG LEU A 98 6.127 0.880 -6.545 1.00 0.00 C ATOM 1521 CD1 LEU A 98 7.518 1.232 -6.001 1.00 0.00 C ATOM 1522 CD2 LEU A 98 5.050 1.345 -5.551 1.00 0.00 C ATOM 0 H LEU A 98 3.855 -0.011 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 98 4.281 2.866 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 98 6.293 0.762 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.591 2.361 -8.036 1.00 0.00 H new ATOM 0 HG LEU A 98 6.029 -0.200 -6.650 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.641 0.798 -5.009 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.282 0.833 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.621 2.315 -5.939 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.230 0.887 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.089 2.430 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.066 1.048 -5.915 1.00 0.00 H new ATOM 1534 N LEU A 99 4.750 3.398 -10.307 1.00 0.00 N ATOM 1535 CA LEU A 99 4.564 3.780 -11.708 1.00 0.00 C ATOM 1536 C LEU A 99 5.691 4.650 -12.217 1.00 0.00 C ATOM 1537 O LEU A 99 5.776 5.846 -11.900 1.00 0.00 O ATOM 1538 CB LEU A 99 3.199 4.500 -11.893 1.00 0.00 C ATOM 1539 CG LEU A 99 2.105 4.298 -10.806 1.00 0.00 C ATOM 1540 CD1 LEU A 99 0.840 5.069 -11.214 1.00 0.00 C ATOM 1541 CD2 LEU A 99 1.752 2.825 -10.555 1.00 0.00 C ATOM 0 H LEU A 99 5.122 4.139 -9.713 1.00 0.00 H new ATOM 0 HA LEU A 99 4.571 2.864 -12.299 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.395 5.569 -11.972 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.782 4.181 -12.848 1.00 0.00 H new ATOM 0 HG LEU A 99 2.513 4.681 -9.871 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.069 4.931 -10.456 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.074 6.130 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.478 4.694 -12.171 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.983 2.761 -9.785 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.381 2.378 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.642 2.289 -10.224 1.00 0.00 H new ATOM 1553 N GLN A 100 6.556 4.087 -13.038 1.00 0.00 N ATOM 1554 CA GLN A 100 7.585 4.866 -13.724 1.00 0.00 C ATOM 1555 C GLN A 100 7.252 5.004 -15.192 1.00 0.00 C ATOM 1556 O GLN A 100 7.517 4.115 -16.009 1.00 0.00 O ATOM 1557 CB GLN A 100 8.952 4.175 -13.519 1.00 0.00 C ATOM 1558 CG GLN A 100 10.145 4.732 -14.363 1.00 0.00 C ATOM 1559 CD GLN A 100 11.581 4.389 -13.946 1.00 0.00 C ATOM 1560 OE1 GLN A 100 12.390 3.966 -14.756 1.00 0.00 O ATOM 1561 NE2 GLN A 100 11.964 4.571 -12.707 1.00 0.00 N ATOM 0 H GLN A 100 6.572 3.090 -13.251 1.00 0.00 H new ATOM 0 HA GLN A 100 7.630 5.872 -13.306 1.00 0.00 H new ATOM 0 HB2 GLN A 100 9.217 4.247 -12.464 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.837 3.115 -13.747 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.010 4.388 -15.389 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.058 5.818 -14.377 1.00 0.00 H new ATOM 0 HE21 GLN A 100 11.303 4.924 -12.015 1.00 0.00 H new ATOM 0 HE22 GLN A 100 12.924 4.360 -12.434 1.00 0.00 H new ATOM 1570 N ALA A 101 6.685 6.140 -15.556 1.00 0.00 N ATOM 1571 CA ALA A 101 6.164 6.352 -16.904 1.00 0.00 C ATOM 1572 C ALA A 101 7.276 6.684 -17.871 1.00 0.00 C ATOM 1573 O ALA A 101 8.463 6.699 -17.519 1.00 0.00 O ATOM 1574 CB ALA A 101 5.092 7.452 -16.823 1.00 0.00 C ATOM 0 H ALA A 101 6.571 6.940 -14.934 1.00 0.00 H new ATOM 0 HA ALA A 101 5.707 5.441 -17.291 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.682 7.634 -17.816 1.00 0.00 H new ATOM 0 HB2 ALA A 101 4.293 7.133 -16.154 1.00 0.00 H new ATOM 0 HB3 ALA A 101 5.540 8.369 -16.441 1.00 0.00 H new ATOM 1580 N HIS A 102 6.911 6.983 -19.106 1.00 0.00 N ATOM 1581 CA HIS A 102 7.906 7.168 -20.166 1.00 0.00 C ATOM 1582 C HIS A 102 8.509 8.551 -20.106 1.00 0.00 C ATOM 1583 O HIS A 102 9.714 8.718 -19.828 1.00 0.00 O ATOM 1584 CB HIS A 102 7.174 6.944 -21.500 1.00 0.00 C ATOM 1585 CG HIS A 102 7.941 7.421 -22.700 1.00 0.00 C ATOM 1586 ND1 HIS A 102 9.305 7.693 -22.751 1.00 0.00 N ATOM 1587 CD2 HIS A 102 7.332 7.641 -23.931 1.00 0.00 C ATOM 1588 CE1 HIS A 102 9.418 8.060 -24.042 1.00 0.00 C ATOM 1589 NE2 HIS A 102 8.296 8.060 -24.811 1.00 0.00 N ATOM 0 H HIS A 102 5.943 7.104 -19.405 1.00 0.00 H new ATOM 0 HA HIS A 102 8.731 6.465 -20.052 1.00 0.00 H new ATOM 0 HB2 HIS A 102 6.964 5.881 -21.614 1.00 0.00 H new ATOM 0 HB3 HIS A 102 6.213 7.457 -21.467 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.284 7.506 -24.154 1.00 0.00 H new ATOM 0 HE1 HIS A 102 10.374 8.347 -24.455 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.197 8.309 -25.795 1.00 0.00 H new ATOM 1597 N ASP A 103 7.716 9.580 -20.334 1.00 0.00 N ATOM 1598 CA ASP A 103 8.228 10.950 -20.376 1.00 0.00 C ATOM 1599 C ASP A 103 8.182 11.580 -19.005 1.00 0.00 C ATOM 1600 O ASP A 103 8.377 10.903 -17.981 1.00 0.00 O ATOM 1601 CB ASP A 103 7.440 11.780 -21.423 1.00 0.00 C ATOM 1602 CG ASP A 103 7.170 11.113 -22.779 1.00 0.00 C ATOM 1603 OD1 ASP A 103 7.926 10.295 -23.282 1.00 0.00 O ATOM 1604 OD2 ASP A 103 6.013 11.552 -23.363 1.00 0.00 O ATOM 0 H ASP A 103 6.712 9.500 -20.494 1.00 0.00 H new ATOM 0 HA ASP A 103 9.273 10.931 -20.684 1.00 0.00 H new ATOM 0 HB2 ASP A 103 6.481 12.057 -20.984 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.987 12.705 -21.603 1.00 0.00 H new ATOM 1609 N ASP A 104 7.963 12.877 -18.944 1.00 0.00 N ATOM 1610 CA ASP A 104 7.649 13.566 -17.697 1.00 0.00 C ATOM 1611 C ASP A 104 6.360 14.348 -17.831 1.00 0.00 C ATOM 1612 O ASP A 104 5.958 15.073 -16.901 1.00 0.00 O ATOM 1613 CB ASP A 104 8.838 14.454 -17.246 1.00 0.00 C ATOM 1614 CG ASP A 104 9.424 15.428 -18.277 1.00 0.00 C ATOM 1615 OD1 ASP A 104 9.088 15.442 -19.452 1.00 0.00 O ATOM 1616 OD2 ASP A 104 10.339 16.288 -17.732 1.00 0.00 O ATOM 0 H ASP A 104 7.997 13.491 -19.758 1.00 0.00 H new ATOM 0 HA ASP A 104 7.493 12.825 -16.913 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.516 15.033 -16.381 1.00 0.00 H new ATOM 0 HB3 ASP A 104 9.640 13.797 -16.910 1.00 0.00 H new ATOM 1621 N THR A 105 5.689 14.257 -18.963 1.00 0.00 N ATOM 1622 CA THR A 105 4.358 14.845 -19.117 1.00 0.00 C ATOM 1623 C THR A 105 3.289 13.846 -18.733 1.00 0.00 C ATOM 1624 O THR A 105 2.292 14.144 -18.068 1.00 0.00 O ATOM 1625 CB THR A 105 4.146 15.347 -20.585 1.00 0.00 C ATOM 1626 OG1 THR A 105 5.339 15.939 -21.086 1.00 0.00 O ATOM 1627 CG2 THR A 105 3.063 16.428 -20.791 1.00 0.00 C ATOM 0 H THR A 105 6.038 13.782 -19.795 1.00 0.00 H new ATOM 0 HA THR A 105 4.280 15.702 -18.448 1.00 0.00 H new ATOM 0 HB THR A 105 3.835 14.439 -21.101 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.191 16.246 -22.005 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.010 16.694 -21.847 1.00 0.00 H new ATOM 0 HG22 THR A 105 2.097 16.042 -20.465 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.316 17.313 -20.207 1.00 0.00 H new ATOM 1635 N GLU A 106 3.513 12.610 -19.136 1.00 0.00 N ATOM 1636 CA GLU A 106 2.663 11.478 -18.793 1.00 0.00 C ATOM 1637 C GLU A 106 3.147 10.805 -17.522 1.00 0.00 C ATOM 1638 O GLU A 106 2.425 9.931 -16.984 1.00 0.00 O ATOM 1639 CB GLU A 106 2.664 10.506 -20.023 1.00 0.00 C ATOM 1640 CG GLU A 106 3.618 9.265 -19.852 1.00 0.00 C ATOM 1641 CD GLU A 106 4.225 8.664 -21.115 1.00 0.00 C ATOM 1642 OE1 GLU A 106 4.906 9.301 -21.908 1.00 0.00 O ATOM 1643 OE2 GLU A 106 3.923 7.343 -21.292 1.00 0.00 O ATOM 0 H GLU A 106 4.307 12.356 -19.724 1.00 0.00 H new ATOM 0 HA GLU A 106 1.643 11.801 -18.587 1.00 0.00 H new ATOM 0 HB2 GLU A 106 1.648 10.150 -20.194 1.00 0.00 H new ATOM 0 HB3 GLU A 106 2.961 11.061 -20.913 1.00 0.00 H new ATOM 0 HG2 GLU A 106 4.435 9.557 -19.192 1.00 0.00 H new ATOM 0 HG3 GLU A 106 3.061 8.480 -19.340 1.00 0.00 H new ATOM 1650 N MET A 107 4.299 11.161 -16.992 1.00 0.00 N ATOM 1651 CA MET A 107 4.705 10.673 -15.667 1.00 0.00 C ATOM 1652 C MET A 107 3.906 11.385 -14.597 1.00 0.00 C ATOM 1653 O MET A 107 3.268 10.804 -13.711 1.00 0.00 O ATOM 1654 CB MET A 107 6.232 10.862 -15.459 1.00 0.00 C ATOM 1655 CG MET A 107 6.714 11.981 -14.512 1.00 0.00 C ATOM 1656 SD MET A 107 8.209 11.449 -13.657 1.00 0.00 S ATOM 1657 CE MET A 107 7.609 11.560 -11.966 1.00 0.00 C ATOM 0 H MET A 107 4.973 11.780 -17.444 1.00 0.00 H new ATOM 0 HA MET A 107 4.498 9.605 -15.597 1.00 0.00 H new ATOM 0 HB2 MET A 107 6.635 9.919 -15.090 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.680 11.039 -16.437 1.00 0.00 H new ATOM 0 HG2 MET A 107 6.912 12.891 -15.079 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.935 12.219 -13.788 1.00 0.00 H new ATOM 0 HE1 MET A 107 8.439 11.796 -11.300 1.00 0.00 H new ATOM 0 HE2 MET A 107 6.855 12.344 -11.898 1.00 0.00 H new ATOM 0 HE3 MET A 107 7.169 10.607 -11.673 1.00 0.00 H new ATOM 1667 N SER A 108 3.908 12.708 -14.694 1.00 0.00 N ATOM 1668 CA SER A 108 3.143 13.558 -13.787 1.00 0.00 C ATOM 1669 C SER A 108 1.664 13.270 -13.903 1.00 0.00 C ATOM 1670 O SER A 108 0.957 13.139 -12.895 1.00 0.00 O ATOM 1671 CB SER A 108 3.464 15.054 -14.033 1.00 0.00 C ATOM 1672 OG SER A 108 2.564 15.940 -13.359 1.00 0.00 O ATOM 0 H SER A 108 4.437 13.221 -15.399 1.00 0.00 H new ATOM 0 HA SER A 108 3.439 13.328 -12.763 1.00 0.00 H new ATOM 0 HB2 SER A 108 4.482 15.260 -13.703 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.429 15.256 -15.104 1.00 0.00 H new ATOM 0 HG SER A 108 2.815 16.868 -13.549 1.00 0.00 H new ATOM 1678 N GLN A 109 1.169 13.135 -15.119 1.00 0.00 N ATOM 1679 CA GLN A 109 -0.255 12.894 -15.347 1.00 0.00 C ATOM 1680 C GLN A 109 -0.680 11.557 -14.788 1.00 0.00 C ATOM 1681 O GLN A 109 -1.885 11.347 -14.511 1.00 0.00 O ATOM 1682 CB GLN A 109 -0.532 12.981 -16.863 1.00 0.00 C ATOM 1683 CG GLN A 109 -0.991 14.378 -17.400 1.00 0.00 C ATOM 1684 CD GLN A 109 -1.618 14.479 -18.795 1.00 0.00 C ATOM 1685 OE1 GLN A 109 -1.305 15.374 -19.564 1.00 0.00 O ATOM 1686 NE2 GLN A 109 -2.523 13.611 -19.170 1.00 0.00 N ATOM 0 H GLN A 109 1.729 13.187 -15.970 1.00 0.00 H new ATOM 0 HA GLN A 109 -0.840 13.652 -14.827 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.374 12.690 -17.395 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.299 12.248 -17.114 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.711 14.782 -16.688 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.122 15.036 -17.383 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.797 12.856 -18.541 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.954 13.689 -20.091 1.00 0.00 H new ATOM 1695 N TRP A 110 0.219 10.604 -14.637 1.00 0.00 N ATOM 1696 CA TRP A 110 -0.096 9.372 -13.905 1.00 0.00 C ATOM 1697 C TRP A 110 -0.382 9.707 -12.457 1.00 0.00 C ATOM 1698 O TRP A 110 -1.381 9.281 -11.873 1.00 0.00 O ATOM 1699 CB TRP A 110 1.086 8.367 -13.982 1.00 0.00 C ATOM 1700 CG TRP A 110 0.964 7.329 -15.104 1.00 0.00 C ATOM 1701 CD1 TRP A 110 1.843 7.157 -16.193 1.00 0.00 C ATOM 1702 CD2 TRP A 110 0.024 6.321 -15.217 1.00 0.00 C ATOM 1703 NE1 TRP A 110 1.467 6.063 -16.996 1.00 0.00 N ATOM 1704 CE2 TRP A 110 0.338 5.561 -16.370 1.00 0.00 C ATOM 1705 CE3 TRP A 110 -1.074 5.964 -14.390 1.00 0.00 C ATOM 1706 CZ2 TRP A 110 -0.463 4.450 -16.719 1.00 0.00 C ATOM 1707 CZ3 TRP A 110 -1.794 4.813 -14.709 1.00 0.00 C ATOM 1708 CH2 TRP A 110 -1.523 4.091 -15.879 1.00 0.00 C ATOM 0 H TRP A 110 1.169 10.649 -15.005 1.00 0.00 H new ATOM 0 HA TRP A 110 -0.973 8.911 -14.360 1.00 0.00 H new ATOM 0 HB2 TRP A 110 2.013 8.925 -14.119 1.00 0.00 H new ATOM 0 HB3 TRP A 110 1.166 7.845 -13.028 1.00 0.00 H new ATOM 0 HD1 TRP A 110 2.699 7.786 -16.387 1.00 0.00 H new ATOM 0 HE1 TRP A 110 1.921 5.720 -17.843 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -1.344 6.568 -13.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.260 3.888 -17.619 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.573 4.472 -14.043 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.142 3.244 -16.136 1.00 0.00 H new ATOM 1719 N VAL A 111 0.493 10.512 -11.877 1.00 0.00 N ATOM 1720 CA VAL A 111 0.312 10.975 -10.503 1.00 0.00 C ATOM 1721 C VAL A 111 -0.952 11.792 -10.361 1.00 0.00 C ATOM 1722 O VAL A 111 -1.666 11.727 -9.354 1.00 0.00 O ATOM 1723 CB VAL A 111 1.573 11.815 -10.054 1.00 0.00 C ATOM 1724 CG1 VAL A 111 1.453 13.360 -10.173 1.00 0.00 C ATOM 1725 CG2 VAL A 111 2.012 11.555 -8.592 1.00 0.00 C ATOM 0 H VAL A 111 1.337 10.861 -12.332 1.00 0.00 H new ATOM 0 HA VAL A 111 0.213 10.104 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 111 2.304 11.451 -10.775 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.380 13.824 -9.836 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.268 13.632 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.626 13.709 -9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 111 2.883 12.168 -8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.196 11.812 -7.916 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.266 10.502 -8.470 1.00 0.00 H new ATOM 1735 N THR A 112 -1.250 12.579 -11.379 1.00 0.00 N ATOM 1736 CA THR A 112 -2.443 13.423 -11.391 1.00 0.00 C ATOM 1737 C THR A 112 -3.695 12.574 -11.387 1.00 0.00 C ATOM 1738 O THR A 112 -4.639 12.786 -10.619 1.00 0.00 O ATOM 1739 CB THR A 112 -2.416 14.391 -12.623 1.00 0.00 C ATOM 1740 OG1 THR A 112 -2.812 13.697 -13.802 1.00 0.00 O ATOM 1741 CG2 THR A 112 -1.046 15.034 -12.945 1.00 0.00 C ATOM 0 H THR A 112 -0.678 12.655 -12.220 1.00 0.00 H new ATOM 0 HA THR A 112 -2.450 14.031 -10.486 1.00 0.00 H new ATOM 0 HB THR A 112 -3.099 15.189 -12.334 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.473 12.778 -13.770 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.144 15.684 -13.815 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.709 15.621 -12.090 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.318 14.251 -13.157 1.00 0.00 H new ATOM 1749 N SER A 113 -3.699 11.565 -12.241 1.00 0.00 N ATOM 1750 CA SER A 113 -4.839 10.667 -12.395 1.00 0.00 C ATOM 1751 C SER A 113 -5.002 9.784 -11.178 1.00 0.00 C ATOM 1752 O SER A 113 -6.105 9.542 -10.676 1.00 0.00 O ATOM 1753 CB SER A 113 -4.710 9.841 -13.701 1.00 0.00 C ATOM 1754 OG SER A 113 -5.973 9.622 -14.341 1.00 0.00 O ATOM 0 H SER A 113 -2.912 11.342 -12.850 1.00 0.00 H new ATOM 0 HA SER A 113 -5.745 11.267 -12.476 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.043 10.359 -14.390 1.00 0.00 H new ATOM 0 HB3 SER A 113 -4.250 8.879 -13.474 1.00 0.00 H new ATOM 0 HG SER A 113 -5.839 9.099 -15.159 1.00 0.00 H new ATOM 1760 N LEU A 114 -3.882 9.306 -10.666 1.00 0.00 N ATOM 1761 CA LEU A 114 -3.852 8.416 -9.508 1.00 0.00 C ATOM 1762 C LEU A 114 -4.317 9.127 -8.259 1.00 0.00 C ATOM 1763 O LEU A 114 -4.981 8.555 -7.387 1.00 0.00 O ATOM 1764 CB LEU A 114 -2.422 7.834 -9.309 1.00 0.00 C ATOM 1765 CG LEU A 114 -1.887 6.833 -10.369 1.00 0.00 C ATOM 1766 CD1 LEU A 114 -1.456 5.531 -9.678 1.00 0.00 C ATOM 1767 CD2 LEU A 114 -2.925 6.514 -11.460 1.00 0.00 C ATOM 0 H LEU A 114 -2.959 9.523 -11.041 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.541 7.592 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.725 8.671 -9.259 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.396 7.338 -8.339 1.00 0.00 H new ATOM 0 HG LEU A 114 -1.036 7.306 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -1.081 4.830 -10.424 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.670 5.746 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -2.311 5.091 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.498 5.810 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -3.811 6.074 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -3.203 7.432 -11.978 1.00 0.00 H new ATOM 1779 N LYS A 115 -3.946 10.389 -8.139 1.00 0.00 N ATOM 1780 CA LYS A 115 -4.420 11.228 -7.043 1.00 0.00 C ATOM 1781 C LYS A 115 -5.929 11.294 -7.026 1.00 0.00 C ATOM 1782 O LYS A 115 -6.580 11.167 -5.983 1.00 0.00 O ATOM 1783 CB LYS A 115 -3.808 12.649 -7.178 1.00 0.00 C ATOM 1784 CG LYS A 115 -2.546 12.877 -6.312 1.00 0.00 C ATOM 1785 CD LYS A 115 -2.314 14.330 -5.883 1.00 0.00 C ATOM 1786 CE LYS A 115 -1.454 15.037 -6.939 1.00 0.00 C ATOM 1787 NZ LYS A 115 -1.726 16.486 -6.903 1.00 0.00 N ATOM 0 H LYS A 115 -3.316 10.861 -8.788 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.100 10.789 -6.098 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.555 12.827 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.563 13.386 -6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.619 12.257 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.674 12.534 -6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.268 14.845 -5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -1.818 14.360 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -0.397 14.849 -6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.675 14.639 -7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.144 16.966 -7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -2.732 16.655 -7.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -1.494 16.859 -5.960 1.00 0.00 H new ATOM 1801 N ALA A 116 -6.511 11.518 -8.191 1.00 0.00 N ATOM 1802 CA ALA A 116 -7.965 11.563 -8.327 1.00 0.00 C ATOM 1803 C ALA A 116 -8.606 10.296 -7.810 1.00 0.00 C ATOM 1804 O ALA A 116 -9.725 10.312 -7.272 1.00 0.00 O ATOM 1805 CB ALA A 116 -8.284 11.827 -9.809 1.00 0.00 C ATOM 0 H ALA A 116 -6.002 11.672 -9.061 1.00 0.00 H new ATOM 0 HA ALA A 116 -8.383 12.366 -7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.364 11.867 -9.947 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -7.844 12.777 -10.112 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -7.870 11.024 -10.419 1.00 0.00 H new ATOM 1811 N GLN A 117 -7.918 9.176 -7.937 1.00 0.00 N ATOM 1812 CA GLN A 117 -8.505 7.875 -7.616 1.00 0.00 C ATOM 1813 C GLN A 117 -8.156 7.409 -6.216 1.00 0.00 C ATOM 1814 O GLN A 117 -8.950 7.546 -5.281 1.00 0.00 O ATOM 1815 CB GLN A 117 -8.019 6.852 -8.667 1.00 0.00 C ATOM 1816 CG GLN A 117 -8.989 6.594 -9.867 1.00 0.00 C ATOM 1817 CD GLN A 117 -9.344 7.756 -10.805 1.00 0.00 C ATOM 1818 OE1 GLN A 117 -10.487 8.179 -10.879 1.00 0.00 O ATOM 1819 NE2 GLN A 117 -8.419 8.295 -11.557 1.00 0.00 N ATOM 0 H GLN A 117 -6.951 9.134 -8.260 1.00 0.00 H new ATOM 0 HA GLN A 117 -9.591 7.967 -7.643 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.063 7.194 -9.064 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -7.834 5.903 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.554 5.802 -10.476 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.922 6.206 -9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.459 7.954 -11.508 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.658 9.056 -12.192 1.00 0.00 H new ATOM 1828 N SER A 118 -6.986 6.821 -6.062 1.00 0.00 N ATOM 1829 CA SER A 118 -6.501 6.166 -4.849 1.00 0.00 C ATOM 1830 C SER A 118 -7.224 6.581 -3.587 1.00 0.00 C ATOM 1831 O SER A 118 -7.806 5.765 -2.864 1.00 0.00 O ATOM 1832 CB SER A 118 -4.973 6.424 -4.695 1.00 0.00 C ATOM 1833 OG SER A 118 -4.249 6.407 -5.929 1.00 0.00 O ATOM 0 H SER A 118 -6.304 6.782 -6.820 1.00 0.00 H new ATOM 0 HA SER A 118 -6.706 5.103 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 118 -4.826 7.391 -4.213 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.553 5.669 -4.030 1.00 0.00 H new ATOM 0 HG SER A 118 -4.278 7.297 -6.337 1.00 0.00 H new