USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 642 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 57 THR OG1 : rot 180:sc= -0.242 USER MOD Set 1.2: A 60 ASN : amide:sc= -0.521 X(o=-0.76,f=-0.32) USER MOD Set 2.1: A 42 GLN : amide:sc= -2.59 K(o=-3.1,f=-5.8!) USER MOD Set 2.2: A 73 GLN : amide:sc= -0.515 K(o=-3.1,f=-9.7!) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -153:sc= -1.48 (180deg=-2.91!) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.776 K(o=-2.3,f=-4.2) USER MOD Single : A 1 MET CE :methyl -118:sc=-0.00952 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -130:sc= -0.0178 (180deg=-0.201) USER MOD Single : A 10 ASN : amide:sc= -0.89 K(o=-0.89,f=-3.2!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.462 USER MOD Single : A 12 SER OG : rot -35:sc= 0.839 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -1.5! USER MOD Single : A 23 THR OG1 : rot 60:sc= -5.61! USER MOD Single : A 24 SER OG : rot 180:sc= 0.0453 USER MOD Single : A 27 GLN : amide:sc=-0.000893 X(o=-0.00089,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HE2:sc= -6.02! C(o=-6!,f=-7.1!) USER MOD Single : A 59 GLN : amide:sc= -1.74 K(o=-1.7,f=-5.9!) USER MOD Single : A 61 CYS SG : rot -22:sc= -4.04! USER MOD Single : A 65 GLN : amide:sc= -0.0701 X(o=-0.07,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.91,f=0) USER MOD Single : A 67 SER OG : rot 63:sc= -2.48! USER MOD Single : A 70 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.182 -13.387 24.470 1.00 0.00 N ATOM 2 CA MET A 1 11.876 -13.879 24.993 1.00 0.00 C ATOM 3 C MET A 1 10.744 -12.996 24.458 1.00 0.00 C ATOM 4 O MET A 1 9.924 -13.428 23.672 1.00 0.00 O ATOM 5 CB MET A 1 11.886 -13.823 26.522 1.00 0.00 C ATOM 6 CG MET A 1 12.204 -15.210 27.084 1.00 0.00 C ATOM 7 SD MET A 1 11.943 -15.210 28.875 1.00 0.00 S ATOM 8 CE MET A 1 13.476 -14.365 29.331 1.00 0.00 C ATOM 0 H1 MET A 1 13.950 -13.987 24.834 1.00 0.00 H new ATOM 0 H2 MET A 1 13.176 -13.424 23.431 1.00 0.00 H new ATOM 0 H3 MET A 1 13.333 -12.406 24.780 1.00 0.00 H new ATOM 0 HA MET A 1 11.719 -14.907 24.667 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.628 -13.102 26.865 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.918 -13.484 26.890 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.568 -15.959 26.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.235 -15.479 26.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.085 -15.024 29.950 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.028 -14.102 28.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.240 -13.459 29.889 1.00 0.00 H new ATOM 20 N GLY A 2 10.690 -11.764 24.880 1.00 0.00 N ATOM 21 CA GLY A 2 9.610 -10.854 24.399 1.00 0.00 C ATOM 22 C GLY A 2 8.344 -11.091 25.220 1.00 0.00 C ATOM 23 O GLY A 2 8.195 -12.104 25.875 1.00 0.00 O ATOM 0 H GLY A 2 11.347 -11.346 25.538 1.00 0.00 H new ATOM 0 HA2 GLY A 2 9.927 -9.815 24.491 1.00 0.00 H new ATOM 0 HA3 GLY A 2 9.411 -11.034 23.343 1.00 0.00 H new ATOM 27 N MET A 3 7.441 -10.152 25.207 1.00 0.00 N ATOM 28 CA MET A 3 6.193 -10.303 26.003 1.00 0.00 C ATOM 29 C MET A 3 4.959 -10.149 25.108 1.00 0.00 C ATOM 30 O MET A 3 5.029 -9.657 23.999 1.00 0.00 O ATOM 31 CB MET A 3 6.165 -9.228 27.085 1.00 0.00 C ATOM 32 CG MET A 3 5.056 -9.527 28.089 1.00 0.00 C ATOM 33 SD MET A 3 5.646 -9.173 29.763 1.00 0.00 S ATOM 34 CE MET A 3 6.675 -10.649 29.957 1.00 0.00 C ATOM 0 H MET A 3 7.514 -9.283 24.677 1.00 0.00 H new ATOM 0 HA MET A 3 6.177 -11.296 26.452 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.128 -9.189 27.595 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.003 -8.249 26.633 1.00 0.00 H new ATOM 0 HG2 MET A 3 4.177 -8.923 27.866 1.00 0.00 H new ATOM 0 HG3 MET A 3 4.753 -10.571 28.012 1.00 0.00 H new ATOM 0 HE1 MET A 3 6.436 -11.137 30.902 1.00 0.00 H new ATOM 0 HE2 MET A 3 6.483 -11.337 29.134 1.00 0.00 H new ATOM 0 HE3 MET A 3 7.727 -10.363 29.952 1.00 0.00 H new ATOM 44 N ILE A 4 3.826 -10.566 25.601 1.00 0.00 N ATOM 45 CA ILE A 4 2.561 -10.453 24.822 1.00 0.00 C ATOM 46 C ILE A 4 2.127 -8.991 24.749 1.00 0.00 C ATOM 47 O ILE A 4 2.199 -8.263 25.720 1.00 0.00 O ATOM 48 CB ILE A 4 1.462 -11.212 25.555 1.00 0.00 C ATOM 49 CG1 ILE A 4 0.966 -12.371 24.692 1.00 0.00 C ATOM 50 CG2 ILE A 4 0.308 -10.250 25.824 1.00 0.00 C ATOM 51 CD1 ILE A 4 1.486 -13.682 25.270 1.00 0.00 C ATOM 0 H ILE A 4 3.722 -10.987 26.524 1.00 0.00 H new ATOM 0 HA ILE A 4 2.725 -10.854 23.822 1.00 0.00 H new ATOM 0 HB ILE A 4 1.849 -11.611 26.493 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.124 -12.379 24.663 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.311 -12.250 23.665 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.489 -10.776 26.349 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.661 -9.421 26.437 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -0.073 -9.865 24.878 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.136 -14.514 24.659 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.576 -13.670 25.276 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.119 -13.801 26.289 1.00 0.00 H new ATOM 63 N VAL A 5 1.618 -8.568 23.630 1.00 0.00 N ATOM 64 CA VAL A 5 1.117 -7.182 23.532 1.00 0.00 C ATOM 65 C VAL A 5 -0.387 -7.246 23.749 1.00 0.00 C ATOM 66 O VAL A 5 -1.029 -8.223 23.408 1.00 0.00 O ATOM 67 CB VAL A 5 1.411 -6.591 22.156 1.00 0.00 C ATOM 68 CG1 VAL A 5 2.137 -5.256 22.329 1.00 0.00 C ATOM 69 CG2 VAL A 5 2.294 -7.551 21.357 1.00 0.00 C ATOM 0 H VAL A 5 1.529 -9.126 22.781 1.00 0.00 H new ATOM 0 HA VAL A 5 1.605 -6.548 24.272 1.00 0.00 H new ATOM 0 HB VAL A 5 0.475 -6.436 21.620 1.00 0.00 H new ATOM 0 HG11 VAL A 5 2.350 -4.828 21.349 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.507 -4.570 22.895 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.072 -5.417 22.866 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.501 -7.124 20.376 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.232 -7.710 21.888 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.779 -8.504 21.237 1.00 0.00 H new ATOM 79 N PHE A 6 -0.956 -6.237 24.319 1.00 0.00 N ATOM 80 CA PHE A 6 -2.418 -6.267 24.565 1.00 0.00 C ATOM 81 C PHE A 6 -3.135 -5.594 23.403 1.00 0.00 C ATOM 82 O PHE A 6 -3.083 -4.399 23.254 1.00 0.00 O ATOM 83 CB PHE A 6 -2.714 -5.509 25.857 1.00 0.00 C ATOM 84 CG PHE A 6 -3.749 -6.254 26.663 1.00 0.00 C ATOM 85 CD1 PHE A 6 -3.611 -7.632 26.881 1.00 0.00 C ATOM 86 CD2 PHE A 6 -4.845 -5.566 27.196 1.00 0.00 C ATOM 87 CE1 PHE A 6 -4.571 -8.320 27.632 1.00 0.00 C ATOM 88 CE2 PHE A 6 -5.805 -6.256 27.947 1.00 0.00 C ATOM 89 CZ PHE A 6 -5.668 -7.633 28.164 1.00 0.00 C ATOM 0 H PHE A 6 -0.477 -5.391 24.627 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.763 -7.297 24.654 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.800 -5.395 26.440 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.073 -4.506 25.626 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -2.765 -8.162 26.470 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -4.950 -4.504 27.028 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.465 -9.381 27.801 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -6.651 -5.726 28.359 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.409 -8.165 28.742 1.00 0.00 H new ATOM 99 N VAL A 7 -3.812 -6.340 22.577 1.00 0.00 N ATOM 100 CA VAL A 7 -4.523 -5.693 21.439 1.00 0.00 C ATOM 101 C VAL A 7 -5.938 -5.343 21.869 1.00 0.00 C ATOM 102 O VAL A 7 -6.762 -6.212 22.078 1.00 0.00 O ATOM 103 CB VAL A 7 -4.590 -6.645 20.238 1.00 0.00 C ATOM 104 CG1 VAL A 7 -5.594 -6.106 19.206 1.00 0.00 C ATOM 105 CG2 VAL A 7 -3.203 -6.740 19.596 1.00 0.00 C ATOM 0 H VAL A 7 -3.904 -7.354 22.637 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.980 -4.793 21.151 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.912 -7.632 20.572 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.639 -6.784 18.354 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.581 -6.031 19.663 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.275 -5.120 18.868 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.243 -7.415 18.741 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.888 -5.751 19.263 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.489 -7.121 20.326 1.00 0.00 H new ATOM 115 N ARG A 8 -6.250 -4.083 21.983 1.00 0.00 N ATOM 116 CA ARG A 8 -7.633 -3.737 22.371 1.00 0.00 C ATOM 117 C ARG A 8 -8.432 -3.566 21.087 1.00 0.00 C ATOM 118 O ARG A 8 -8.464 -2.511 20.488 1.00 0.00 O ATOM 119 CB ARG A 8 -7.651 -2.439 23.190 1.00 0.00 C ATOM 120 CG ARG A 8 -6.377 -2.338 24.041 1.00 0.00 C ATOM 121 CD ARG A 8 -6.495 -3.226 25.279 1.00 0.00 C ATOM 122 NE ARG A 8 -7.174 -2.474 26.371 1.00 0.00 N ATOM 123 CZ ARG A 8 -8.433 -2.693 26.627 1.00 0.00 C ATOM 124 NH1 ARG A 8 -8.841 -3.900 26.916 1.00 0.00 N ATOM 125 NH2 ARG A 8 -9.284 -1.705 26.595 1.00 0.00 N ATOM 0 H ARG A 8 -5.619 -3.297 21.827 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.066 -4.522 22.992 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -7.722 -1.580 22.523 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.531 -2.417 23.833 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.512 -2.639 23.450 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.213 -1.303 24.342 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.059 -4.128 25.040 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.505 -3.546 25.605 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.654 -1.788 26.918 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.174 -4.671 26.941 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.826 -4.071 27.116 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.964 -0.763 26.370 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.270 -1.874 26.795 1.00 0.00 H new ATOM 139 N PHE A 9 -9.074 -4.617 20.667 1.00 0.00 N ATOM 140 CA PHE A 9 -9.874 -4.575 19.416 1.00 0.00 C ATOM 141 C PHE A 9 -11.167 -3.813 19.692 1.00 0.00 C ATOM 142 O PHE A 9 -11.781 -3.992 20.725 1.00 0.00 O ATOM 143 CB PHE A 9 -10.227 -6.009 19.024 1.00 0.00 C ATOM 144 CG PHE A 9 -9.658 -6.482 17.694 1.00 0.00 C ATOM 145 CD1 PHE A 9 -10.000 -5.934 16.439 1.00 0.00 C ATOM 146 CD2 PHE A 9 -8.905 -7.636 17.741 1.00 0.00 C ATOM 147 CE1 PHE A 9 -9.579 -6.563 15.272 1.00 0.00 C ATOM 148 CE2 PHE A 9 -8.456 -8.242 16.580 1.00 0.00 C ATOM 149 CZ PHE A 9 -8.805 -7.711 15.338 1.00 0.00 C ATOM 0 H PHE A 9 -9.078 -5.518 21.146 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.312 -4.089 18.618 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.876 -6.679 19.809 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -11.313 -6.101 18.989 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -10.587 -5.029 16.385 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.662 -8.074 18.698 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -9.856 -6.155 14.311 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.836 -9.125 16.636 1.00 0.00 H new ATOM 0 HZ PHE A 9 -8.473 -8.193 14.430 1.00 0.00 H new ATOM 159 N ASN A 10 -11.579 -2.967 18.783 1.00 0.00 N ATOM 160 CA ASN A 10 -12.838 -2.190 18.989 1.00 0.00 C ATOM 161 C ASN A 10 -13.871 -3.065 19.704 1.00 0.00 C ATOM 162 O ASN A 10 -13.896 -4.268 19.534 1.00 0.00 O ATOM 163 CB ASN A 10 -13.396 -1.758 17.631 1.00 0.00 C ATOM 164 CG ASN A 10 -12.700 -0.476 17.173 1.00 0.00 C ATOM 165 OD1 ASN A 10 -11.650 -0.129 17.675 1.00 0.00 O ATOM 166 ND2 ASN A 10 -13.245 0.244 16.232 1.00 0.00 N ATOM 0 H ASN A 10 -11.096 -2.780 17.904 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.624 -1.310 19.596 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -13.244 -2.549 16.896 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.471 -1.594 17.704 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -12.789 1.100 15.916 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.127 -0.049 15.812 1.00 0.00 H new ATOM 173 N SER A 11 -14.713 -2.476 20.510 1.00 0.00 N ATOM 174 CA SER A 11 -15.735 -3.280 21.243 1.00 0.00 C ATOM 175 C SER A 11 -15.072 -3.976 22.438 1.00 0.00 C ATOM 176 O SER A 11 -14.182 -3.435 23.063 1.00 0.00 O ATOM 177 CB SER A 11 -16.333 -4.327 20.301 1.00 0.00 C ATOM 178 OG SER A 11 -16.478 -3.761 19.006 1.00 0.00 O ATOM 0 H SER A 11 -14.738 -1.473 20.693 1.00 0.00 H new ATOM 0 HA SER A 11 -16.529 -2.625 21.601 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.688 -5.205 20.257 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.301 -4.660 20.676 1.00 0.00 H new ATOM 0 HG SER A 11 -16.859 -4.428 18.398 1.00 0.00 H new ATOM 184 N SER A 12 -15.501 -5.167 22.767 1.00 0.00 N ATOM 185 CA SER A 12 -14.897 -5.886 23.929 1.00 0.00 C ATOM 186 C SER A 12 -13.907 -6.946 23.433 1.00 0.00 C ATOM 187 O SER A 12 -13.304 -7.655 24.212 1.00 0.00 O ATOM 188 CB SER A 12 -16.006 -6.569 24.727 1.00 0.00 C ATOM 189 OG SER A 12 -15.436 -7.273 25.823 1.00 0.00 O ATOM 0 H SER A 12 -16.242 -5.672 22.282 1.00 0.00 H new ATOM 0 HA SER A 12 -14.369 -5.170 24.559 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.718 -5.827 25.088 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.559 -7.257 24.087 1.00 0.00 H new ATOM 0 HG SER A 12 -14.567 -7.642 25.559 1.00 0.00 H new ATOM 195 N TYR A 13 -13.742 -7.065 22.148 1.00 0.00 N ATOM 196 CA TYR A 13 -12.800 -8.087 21.607 1.00 0.00 C ATOM 197 C TYR A 13 -11.348 -7.657 21.859 1.00 0.00 C ATOM 198 O TYR A 13 -11.026 -6.486 21.872 1.00 0.00 O ATOM 199 CB TYR A 13 -13.039 -8.241 20.103 1.00 0.00 C ATOM 200 CG TYR A 13 -14.522 -8.155 19.821 1.00 0.00 C ATOM 201 CD1 TYR A 13 -15.443 -8.689 20.731 1.00 0.00 C ATOM 202 CD2 TYR A 13 -14.976 -7.535 18.651 1.00 0.00 C ATOM 203 CE1 TYR A 13 -16.817 -8.602 20.471 1.00 0.00 C ATOM 204 CE2 TYR A 13 -16.348 -7.448 18.390 1.00 0.00 C ATOM 205 CZ TYR A 13 -17.269 -7.982 19.300 1.00 0.00 C ATOM 206 OH TYR A 13 -18.622 -7.895 19.043 1.00 0.00 O ATOM 0 H TYR A 13 -14.218 -6.499 21.446 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.974 -9.039 22.109 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.508 -7.461 19.557 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.646 -9.197 19.757 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.094 -9.168 21.634 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.266 -7.123 17.949 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.527 -9.013 21.173 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.697 -6.969 17.487 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.764 -7.434 18.190 1.00 0.00 H new ATOM 216 N GLY A 14 -10.470 -8.607 22.057 1.00 0.00 N ATOM 217 CA GLY A 14 -9.033 -8.276 22.307 1.00 0.00 C ATOM 218 C GLY A 14 -8.190 -9.539 22.099 1.00 0.00 C ATOM 219 O GLY A 14 -8.715 -10.634 22.038 1.00 0.00 O ATOM 0 H GLY A 14 -10.687 -9.604 22.056 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.704 -7.488 21.630 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.904 -7.899 23.322 1.00 0.00 H new ATOM 223 N PHE A 15 -6.892 -9.410 21.982 1.00 0.00 N ATOM 224 CA PHE A 15 -6.051 -10.628 21.771 1.00 0.00 C ATOM 225 C PHE A 15 -4.630 -10.415 22.309 1.00 0.00 C ATOM 226 O PHE A 15 -3.951 -9.493 21.900 1.00 0.00 O ATOM 227 CB PHE A 15 -5.942 -10.924 20.274 1.00 0.00 C ATOM 228 CG PHE A 15 -7.303 -11.216 19.707 1.00 0.00 C ATOM 229 CD1 PHE A 15 -7.859 -12.492 19.838 1.00 0.00 C ATOM 230 CD2 PHE A 15 -8.007 -10.207 19.049 1.00 0.00 C ATOM 231 CE1 PHE A 15 -9.127 -12.762 19.308 1.00 0.00 C ATOM 232 CE2 PHE A 15 -9.277 -10.476 18.517 1.00 0.00 C ATOM 233 CZ PHE A 15 -9.835 -11.752 18.647 1.00 0.00 C ATOM 0 H PHE A 15 -6.384 -8.527 22.023 1.00 0.00 H new ATOM 0 HA PHE A 15 -6.524 -11.455 22.301 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.499 -10.072 19.758 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -5.281 -11.775 20.110 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -7.310 -13.270 20.348 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.576 -9.222 18.950 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -9.557 -13.747 19.409 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -9.824 -9.697 18.007 1.00 0.00 H new ATOM 0 HZ PHE A 15 -10.813 -11.958 18.237 1.00 0.00 H new ATOM 243 N PRO A 16 -4.201 -11.303 23.174 1.00 0.00 N ATOM 244 CA PRO A 16 -2.842 -11.264 23.737 1.00 0.00 C ATOM 245 C PRO A 16 -1.892 -11.909 22.725 1.00 0.00 C ATOM 246 O PRO A 16 -1.687 -13.105 22.726 1.00 0.00 O ATOM 247 CB PRO A 16 -2.948 -12.120 25.001 1.00 0.00 C ATOM 248 CG PRO A 16 -4.165 -13.055 24.786 1.00 0.00 C ATOM 249 CD PRO A 16 -5.028 -12.415 23.682 1.00 0.00 C ATOM 0 HA PRO A 16 -2.472 -10.262 23.954 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.037 -12.697 25.159 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.087 -11.496 25.884 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.839 -14.053 24.492 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.736 -13.165 25.708 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.261 -13.131 22.893 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.978 -12.056 24.077 1.00 0.00 H new ATOM 257 N VAL A 17 -1.342 -11.130 21.842 1.00 0.00 N ATOM 258 CA VAL A 17 -0.440 -11.698 20.801 1.00 0.00 C ATOM 259 C VAL A 17 0.980 -11.809 21.341 1.00 0.00 C ATOM 260 O VAL A 17 1.433 -10.973 22.084 1.00 0.00 O ATOM 261 CB VAL A 17 -0.434 -10.756 19.605 1.00 0.00 C ATOM 262 CG1 VAL A 17 -0.131 -9.345 20.108 1.00 0.00 C ATOM 263 CG2 VAL A 17 0.647 -11.194 18.615 1.00 0.00 C ATOM 0 H VAL A 17 -1.477 -10.120 21.794 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.793 -12.689 20.515 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.401 -10.776 19.103 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.122 -8.653 19.266 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.898 -9.040 20.820 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.843 -9.334 20.597 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.651 -10.519 17.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.621 -11.166 19.104 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.440 -12.209 18.276 1.00 0.00 H new ATOM 273 N GLU A 18 1.702 -12.820 20.956 1.00 0.00 N ATOM 274 CA GLU A 18 3.098 -12.937 21.446 1.00 0.00 C ATOM 275 C GLU A 18 4.029 -12.236 20.455 1.00 0.00 C ATOM 276 O GLU A 18 4.161 -12.650 19.320 1.00 0.00 O ATOM 277 CB GLU A 18 3.483 -14.413 21.564 1.00 0.00 C ATOM 278 CG GLU A 18 4.003 -14.690 22.976 1.00 0.00 C ATOM 279 CD GLU A 18 5.331 -15.442 22.895 1.00 0.00 C ATOM 280 OE1 GLU A 18 5.626 -15.972 21.837 1.00 0.00 O ATOM 281 OE2 GLU A 18 6.031 -15.478 23.894 1.00 0.00 O ATOM 0 H GLU A 18 1.390 -13.563 20.330 1.00 0.00 H new ATOM 0 HA GLU A 18 3.186 -12.471 22.427 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.620 -15.044 21.352 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.247 -14.661 20.828 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.137 -13.752 23.516 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.274 -15.278 23.534 1.00 0.00 H new ATOM 288 N VAL A 19 4.670 -11.174 20.867 1.00 0.00 N ATOM 289 CA VAL A 19 5.582 -10.459 19.930 1.00 0.00 C ATOM 290 C VAL A 19 6.806 -9.950 20.683 1.00 0.00 C ATOM 291 O VAL A 19 6.812 -9.843 21.893 1.00 0.00 O ATOM 292 CB VAL A 19 4.860 -9.264 19.301 1.00 0.00 C ATOM 293 CG1 VAL A 19 3.352 -9.411 19.497 1.00 0.00 C ATOM 294 CG2 VAL A 19 5.341 -7.973 19.969 1.00 0.00 C ATOM 0 H VAL A 19 4.602 -10.775 21.803 1.00 0.00 H new ATOM 0 HA VAL A 19 5.890 -11.155 19.149 1.00 0.00 H new ATOM 0 HB VAL A 19 5.080 -9.227 18.234 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.842 -8.559 19.048 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.011 -10.330 19.020 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.126 -9.449 20.563 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.829 -7.120 19.523 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.121 -8.012 21.036 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.416 -7.867 19.824 1.00 0.00 H new ATOM 304 N ASP A 20 7.838 -9.625 19.963 1.00 0.00 N ATOM 305 CA ASP A 20 9.072 -9.106 20.604 1.00 0.00 C ATOM 306 C ASP A 20 9.274 -7.656 20.170 1.00 0.00 C ATOM 307 O ASP A 20 8.488 -7.105 19.424 1.00 0.00 O ATOM 308 CB ASP A 20 10.273 -9.943 20.160 1.00 0.00 C ATOM 309 CG ASP A 20 10.083 -11.392 20.611 1.00 0.00 C ATOM 310 OD1 ASP A 20 8.944 -11.820 20.700 1.00 0.00 O ATOM 311 OD2 ASP A 20 11.080 -12.051 20.857 1.00 0.00 O ATOM 0 H ASP A 20 7.879 -9.698 18.946 1.00 0.00 H new ATOM 0 HA ASP A 20 8.979 -9.163 21.689 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.378 -9.900 19.076 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.190 -9.536 20.586 1.00 0.00 H new ATOM 316 N SER A 21 10.325 -7.036 20.622 1.00 0.00 N ATOM 317 CA SER A 21 10.590 -5.621 20.231 1.00 0.00 C ATOM 318 C SER A 21 10.784 -5.522 18.707 1.00 0.00 C ATOM 319 O SER A 21 10.934 -4.446 18.162 1.00 0.00 O ATOM 320 CB SER A 21 11.867 -5.150 20.926 1.00 0.00 C ATOM 321 OG SER A 21 11.748 -5.365 22.326 1.00 0.00 O ATOM 0 H SER A 21 11.017 -7.448 21.248 1.00 0.00 H new ATOM 0 HA SER A 21 9.744 -5.000 20.526 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.728 -5.692 20.535 1.00 0.00 H new ATOM 0 HB3 SER A 21 12.037 -4.093 20.722 1.00 0.00 H new ATOM 0 HG SER A 21 12.567 -5.065 22.774 1.00 0.00 H new ATOM 327 N ASP A 22 10.800 -6.633 18.022 1.00 0.00 N ATOM 328 CA ASP A 22 11.007 -6.609 16.546 1.00 0.00 C ATOM 329 C ASP A 22 9.668 -6.513 15.809 1.00 0.00 C ATOM 330 O ASP A 22 9.585 -5.902 14.761 1.00 0.00 O ATOM 331 CB ASP A 22 11.722 -7.893 16.117 1.00 0.00 C ATOM 332 CG ASP A 22 13.067 -7.542 15.477 1.00 0.00 C ATOM 333 OD1 ASP A 22 13.771 -6.719 16.039 1.00 0.00 O ATOM 334 OD2 ASP A 22 13.370 -8.104 14.437 1.00 0.00 O ATOM 0 H ASP A 22 10.678 -7.562 18.424 1.00 0.00 H new ATOM 0 HA ASP A 22 11.609 -5.736 16.294 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.876 -8.541 16.980 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.104 -8.446 15.409 1.00 0.00 H new ATOM 339 N THR A 23 8.622 -7.114 16.323 1.00 0.00 N ATOM 340 CA THR A 23 7.312 -7.046 15.615 1.00 0.00 C ATOM 341 C THR A 23 7.088 -5.627 15.095 1.00 0.00 C ATOM 342 O THR A 23 6.988 -4.687 15.854 1.00 0.00 O ATOM 343 CB THR A 23 6.184 -7.439 16.574 1.00 0.00 C ATOM 344 OG1 THR A 23 6.743 -8.029 17.735 1.00 0.00 O ATOM 345 CG2 THR A 23 5.262 -8.448 15.893 1.00 0.00 C ATOM 0 H THR A 23 8.621 -7.644 17.195 1.00 0.00 H new ATOM 0 HA THR A 23 7.317 -7.739 14.774 1.00 0.00 H new ATOM 0 HB THR A 23 5.614 -6.551 16.848 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.342 -7.388 18.172 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.460 -8.727 16.576 1.00 0.00 H new ATOM 0 HG22 THR A 23 4.835 -8.002 14.995 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.832 -9.336 15.621 1.00 0.00 H new ATOM 353 N SER A 24 7.020 -5.465 13.800 1.00 0.00 N ATOM 354 CA SER A 24 6.802 -4.107 13.233 1.00 0.00 C ATOM 355 C SER A 24 5.470 -3.573 13.763 1.00 0.00 C ATOM 356 O SER A 24 5.198 -3.626 14.943 1.00 0.00 O ATOM 357 CB SER A 24 6.780 -4.188 11.700 1.00 0.00 C ATOM 358 OG SER A 24 7.735 -5.149 11.270 1.00 0.00 O ATOM 0 H SER A 24 7.106 -6.214 13.113 1.00 0.00 H new ATOM 0 HA SER A 24 7.607 -3.435 13.528 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.785 -4.466 11.353 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.008 -3.213 11.269 1.00 0.00 H new ATOM 0 HG SER A 24 7.724 -5.206 10.292 1.00 0.00 H new ATOM 364 N ILE A 25 4.631 -3.062 12.919 1.00 0.00 N ATOM 365 CA ILE A 25 3.333 -2.539 13.404 1.00 0.00 C ATOM 366 C ILE A 25 2.226 -2.916 12.424 1.00 0.00 C ATOM 367 O ILE A 25 1.134 -3.222 12.836 1.00 0.00 O ATOM 368 CB ILE A 25 3.434 -1.027 13.554 1.00 0.00 C ATOM 369 CG1 ILE A 25 4.446 -0.721 14.659 1.00 0.00 C ATOM 370 CG2 ILE A 25 2.067 -0.434 13.906 1.00 0.00 C ATOM 371 CD1 ILE A 25 3.995 -1.366 15.980 1.00 0.00 C ATOM 0 H ILE A 25 4.786 -2.983 11.914 1.00 0.00 H new ATOM 0 HA ILE A 25 3.091 -2.976 14.373 1.00 0.00 H new ATOM 0 HB ILE A 25 3.761 -0.581 12.615 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.429 -1.099 14.378 1.00 0.00 H new ATOM 0 HG13 ILE A 25 4.543 0.357 14.786 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.155 0.647 14.010 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.355 -0.665 13.114 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.716 -0.861 14.845 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.722 -1.143 16.761 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.022 -0.967 16.266 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.921 -2.446 15.851 1.00 0.00 H new ATOM 383 N LEU A 26 2.503 -2.992 11.142 1.00 0.00 N ATOM 384 CA LEU A 26 1.440 -3.455 10.220 1.00 0.00 C ATOM 385 C LEU A 26 1.443 -4.944 10.424 1.00 0.00 C ATOM 386 O LEU A 26 0.429 -5.603 10.453 1.00 0.00 O ATOM 387 CB LEU A 26 1.756 -3.100 8.773 1.00 0.00 C ATOM 388 CG LEU A 26 1.009 -4.046 7.831 1.00 0.00 C ATOM 389 CD1 LEU A 26 1.821 -5.326 7.697 1.00 0.00 C ATOM 390 CD2 LEU A 26 -0.399 -4.377 8.373 1.00 0.00 C ATOM 0 H LEU A 26 3.398 -2.758 10.712 1.00 0.00 H new ATOM 0 HA LEU A 26 0.474 -2.991 10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.467 -2.068 8.571 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.830 -3.171 8.598 1.00 0.00 H new ATOM 0 HG LEU A 26 0.887 -3.564 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.306 -6.016 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.804 -5.092 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.936 -5.789 8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.906 -5.051 7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.310 -4.856 9.348 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.976 -3.458 8.472 1.00 0.00 H new ATOM 402 N GLN A 27 2.619 -5.449 10.666 1.00 0.00 N ATOM 403 CA GLN A 27 2.781 -6.871 10.982 1.00 0.00 C ATOM 404 C GLN A 27 1.867 -7.120 12.167 1.00 0.00 C ATOM 405 O GLN A 27 1.281 -8.170 12.321 1.00 0.00 O ATOM 406 CB GLN A 27 4.238 -7.084 11.377 1.00 0.00 C ATOM 407 CG GLN A 27 4.865 -8.152 10.478 1.00 0.00 C ATOM 408 CD GLN A 27 5.983 -8.868 11.237 1.00 0.00 C ATOM 409 OE1 GLN A 27 7.149 -8.670 10.955 1.00 0.00 O ATOM 410 NE2 GLN A 27 5.677 -9.699 12.197 1.00 0.00 N ATOM 0 H GLN A 27 3.487 -4.914 10.655 1.00 0.00 H new ATOM 0 HA GLN A 27 2.538 -7.539 10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.790 -6.149 11.286 1.00 0.00 H new ATOM 0 HB3 GLN A 27 4.301 -7.391 12.421 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.107 -8.870 10.165 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.262 -7.693 9.573 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.699 -9.866 12.435 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.416 -10.181 12.709 1.00 0.00 H new ATOM 419 N LEU A 28 1.715 -6.108 12.979 1.00 0.00 N ATOM 420 CA LEU A 28 0.802 -6.204 14.147 1.00 0.00 C ATOM 421 C LEU A 28 -0.619 -6.366 13.624 1.00 0.00 C ATOM 422 O LEU A 28 -1.347 -7.241 14.035 1.00 0.00 O ATOM 423 CB LEU A 28 0.897 -4.906 14.954 1.00 0.00 C ATOM 424 CG LEU A 28 0.388 -5.146 16.366 1.00 0.00 C ATOM 425 CD1 LEU A 28 -1.027 -5.724 16.296 1.00 0.00 C ATOM 426 CD2 LEU A 28 1.331 -6.126 17.066 1.00 0.00 C ATOM 0 H LEU A 28 2.191 -5.211 12.879 1.00 0.00 H new ATOM 0 HA LEU A 28 1.071 -7.050 14.780 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.930 -4.558 14.983 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.311 -4.123 14.473 1.00 0.00 H new ATOM 0 HG LEU A 28 0.359 -4.212 16.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.399 -5.899 17.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.683 -5.019 15.785 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.009 -6.666 15.748 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.978 -6.308 18.081 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.353 -7.066 16.515 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.335 -5.703 17.101 1.00 0.00 H new ATOM 438 N LYS A 29 -1.017 -5.522 12.718 1.00 0.00 N ATOM 439 CA LYS A 29 -2.391 -5.622 12.162 1.00 0.00 C ATOM 440 C LYS A 29 -2.536 -6.956 11.424 1.00 0.00 C ATOM 441 O LYS A 29 -3.629 -7.438 11.202 1.00 0.00 O ATOM 442 CB LYS A 29 -2.634 -4.458 11.199 1.00 0.00 C ATOM 443 CG LYS A 29 -2.678 -3.140 11.985 1.00 0.00 C ATOM 444 CD LYS A 29 -1.436 -2.309 11.660 1.00 0.00 C ATOM 445 CE LYS A 29 -1.427 -0.990 12.453 1.00 0.00 C ATOM 446 NZ LYS A 29 -0.459 -0.049 11.823 1.00 0.00 N ATOM 0 H LYS A 29 -0.449 -4.765 12.338 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.124 -5.575 12.967 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.842 -4.421 10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.572 -4.605 10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.579 -2.582 11.729 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.722 -3.344 13.055 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.539 -2.883 11.894 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.408 -2.095 10.592 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.425 -0.551 12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.149 -1.177 13.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.101 0.613 12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.335 -0.586 11.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.935 0.484 11.068 1.00 0.00 H new ATOM 460 N GLU A 30 -1.439 -7.558 11.045 1.00 0.00 N ATOM 461 CA GLU A 30 -1.514 -8.860 10.327 1.00 0.00 C ATOM 462 C GLU A 30 -1.810 -9.977 11.327 1.00 0.00 C ATOM 463 O GLU A 30 -2.697 -10.774 11.118 1.00 0.00 O ATOM 464 CB GLU A 30 -0.185 -9.143 9.628 1.00 0.00 C ATOM 465 CG GLU A 30 -0.098 -8.299 8.357 1.00 0.00 C ATOM 466 CD GLU A 30 1.229 -8.576 7.647 1.00 0.00 C ATOM 467 OE1 GLU A 30 2.262 -8.288 8.228 1.00 0.00 O ATOM 468 OE2 GLU A 30 1.190 -9.067 6.531 1.00 0.00 O ATOM 0 H GLU A 30 -0.496 -7.203 11.203 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.309 -8.814 9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.647 -8.909 10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.108 -10.202 9.382 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.932 -8.533 7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.175 -7.240 8.605 1.00 0.00 H new ATOM 475 N VAL A 31 -1.084 -10.027 12.417 1.00 0.00 N ATOM 476 CA VAL A 31 -1.332 -11.087 13.444 1.00 0.00 C ATOM 477 C VAL A 31 -2.732 -10.894 13.995 1.00 0.00 C ATOM 478 O VAL A 31 -3.491 -11.829 14.124 1.00 0.00 O ATOM 479 CB VAL A 31 -0.317 -10.947 14.579 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.694 -11.899 15.715 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.079 -11.297 14.062 1.00 0.00 C ATOM 0 H VAL A 31 -0.329 -9.378 12.640 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.232 -12.076 12.997 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.320 -9.921 14.946 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.028 -11.802 16.526 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.689 -11.650 16.083 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.690 -12.925 15.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.802 -11.197 14.871 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.084 -12.323 13.695 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.347 -10.620 13.251 1.00 0.00 H new ATOM 491 N VAL A 32 -3.088 -9.681 14.291 1.00 0.00 N ATOM 492 CA VAL A 32 -4.454 -9.418 14.796 1.00 0.00 C ATOM 493 C VAL A 32 -5.418 -9.775 13.678 1.00 0.00 C ATOM 494 O VAL A 32 -6.499 -10.282 13.899 1.00 0.00 O ATOM 495 CB VAL A 32 -4.601 -7.938 15.135 1.00 0.00 C ATOM 496 CG1 VAL A 32 -6.045 -7.684 15.563 1.00 0.00 C ATOM 497 CG2 VAL A 32 -3.631 -7.571 16.264 1.00 0.00 C ATOM 0 H VAL A 32 -2.490 -8.859 14.204 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.655 -10.003 15.693 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.365 -7.322 14.268 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.171 -6.630 15.810 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.718 -7.949 14.748 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.278 -8.292 16.437 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.737 -6.513 16.505 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.857 -8.169 17.147 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.608 -7.769 15.944 1.00 0.00 H new ATOM 507 N ALA A 33 -5.012 -9.525 12.467 1.00 0.00 N ATOM 508 CA ALA A 33 -5.870 -9.857 11.307 1.00 0.00 C ATOM 509 C ALA A 33 -6.089 -11.372 11.297 1.00 0.00 C ATOM 510 O ALA A 33 -7.054 -11.876 10.762 1.00 0.00 O ATOM 511 CB ALA A 33 -5.165 -9.419 10.017 1.00 0.00 C ATOM 0 H ALA A 33 -4.114 -9.101 12.233 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.829 -9.343 11.375 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.792 -9.661 9.159 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.989 -8.344 10.046 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.212 -9.941 9.928 1.00 0.00 H new ATOM 517 N LYS A 34 -5.178 -12.090 11.893 1.00 0.00 N ATOM 518 CA LYS A 34 -5.276 -13.583 11.954 1.00 0.00 C ATOM 519 C LYS A 34 -6.423 -13.994 12.873 1.00 0.00 C ATOM 520 O LYS A 34 -7.238 -14.833 12.547 1.00 0.00 O ATOM 521 CB LYS A 34 -3.981 -14.148 12.557 1.00 0.00 C ATOM 522 CG LYS A 34 -2.776 -13.476 11.930 1.00 0.00 C ATOM 523 CD LYS A 34 -2.789 -13.680 10.412 1.00 0.00 C ATOM 524 CE LYS A 34 -2.341 -15.108 10.087 1.00 0.00 C ATOM 525 NZ LYS A 34 -1.105 -15.066 9.254 1.00 0.00 N ATOM 0 H LYS A 34 -4.353 -11.701 12.350 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.442 -13.963 10.946 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.974 -13.990 13.636 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.933 -15.224 12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.783 -12.411 12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.860 -13.888 12.352 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.790 -13.503 10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.126 -12.961 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.153 -15.660 11.008 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.132 -15.636 9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.802 -16.036 9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.300 -14.555 8.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.350 -14.578 9.777 1.00 0.00 H new ATOM 539 N ARG A 35 -6.445 -13.435 14.045 1.00 0.00 N ATOM 540 CA ARG A 35 -7.490 -13.804 15.051 1.00 0.00 C ATOM 541 C ARG A 35 -8.907 -13.418 14.606 1.00 0.00 C ATOM 542 O ARG A 35 -9.865 -14.079 14.953 1.00 0.00 O ATOM 543 CB ARG A 35 -7.197 -13.083 16.367 1.00 0.00 C ATOM 544 CG ARG A 35 -5.905 -13.618 16.968 1.00 0.00 C ATOM 545 CD ARG A 35 -4.806 -12.602 16.702 1.00 0.00 C ATOM 546 NE ARG A 35 -3.635 -12.880 17.583 1.00 0.00 N ATOM 547 CZ ARG A 35 -3.785 -13.587 18.671 1.00 0.00 C ATOM 548 NH1 ARG A 35 -4.180 -14.829 18.594 1.00 0.00 N ATOM 549 NH2 ARG A 35 -3.535 -13.054 19.836 1.00 0.00 N ATOM 0 H ARG A 35 -5.779 -12.729 14.359 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.453 -14.887 15.164 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.112 -12.010 16.194 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.022 -13.229 17.064 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.022 -13.781 18.039 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.649 -14.581 16.525 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -4.504 -12.646 15.656 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.178 -11.594 16.884 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.715 -12.517 17.335 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.372 -15.248 17.684 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.297 -15.381 19.444 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.222 -12.085 19.897 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.652 -13.606 20.685 1.00 0.00 H new ATOM 563 N GLN A 36 -9.072 -12.334 13.905 1.00 0.00 N ATOM 564 CA GLN A 36 -10.456 -11.915 13.537 1.00 0.00 C ATOM 565 C GLN A 36 -10.749 -12.111 12.048 1.00 0.00 C ATOM 566 O GLN A 36 -11.881 -12.017 11.619 1.00 0.00 O ATOM 567 CB GLN A 36 -10.611 -10.446 13.917 1.00 0.00 C ATOM 568 CG GLN A 36 -10.418 -10.320 15.422 1.00 0.00 C ATOM 569 CD GLN A 36 -11.442 -9.342 15.996 1.00 0.00 C ATOM 570 OE1 GLN A 36 -11.091 -8.421 16.702 1.00 0.00 O ATOM 571 NE2 GLN A 36 -12.706 -9.504 15.722 1.00 0.00 N ATOM 0 H GLN A 36 -8.323 -11.726 13.574 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.170 -12.539 14.074 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -9.878 -9.837 13.388 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -11.597 -10.081 13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.529 -11.296 15.895 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -9.408 -9.973 15.640 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.004 -10.278 15.128 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -13.397 -8.857 16.101 1.00 0.00 H new ATOM 580 N GLY A 37 -9.759 -12.383 11.256 1.00 0.00 N ATOM 581 CA GLY A 37 -10.021 -12.579 9.801 1.00 0.00 C ATOM 582 C GLY A 37 -10.136 -11.216 9.119 1.00 0.00 C ATOM 583 O GLY A 37 -10.502 -11.115 7.964 1.00 0.00 O ATOM 0 H GLY A 37 -8.785 -12.479 11.544 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.215 -13.157 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.940 -13.148 9.659 1.00 0.00 H new ATOM 587 N VAL A 38 -9.800 -10.168 9.819 1.00 0.00 N ATOM 588 CA VAL A 38 -9.859 -8.807 9.212 1.00 0.00 C ATOM 589 C VAL A 38 -8.495 -8.537 8.599 1.00 0.00 C ATOM 590 O VAL A 38 -7.495 -8.992 9.104 1.00 0.00 O ATOM 591 CB VAL A 38 -10.159 -7.744 10.286 1.00 0.00 C ATOM 592 CG1 VAL A 38 -11.463 -7.012 9.952 1.00 0.00 C ATOM 593 CG2 VAL A 38 -10.303 -8.406 11.656 1.00 0.00 C ATOM 0 H VAL A 38 -9.486 -10.195 10.789 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.651 -8.759 8.465 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.333 -7.033 10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.666 -6.263 10.717 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.368 -6.524 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.284 -7.728 9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.515 -7.645 12.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.121 -9.126 11.628 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.376 -8.920 11.911 1.00 0.00 H new ATOM 603 N PRO A 39 -8.497 -7.823 7.521 1.00 0.00 N ATOM 604 CA PRO A 39 -7.265 -7.494 6.800 1.00 0.00 C ATOM 605 C PRO A 39 -6.471 -6.438 7.565 1.00 0.00 C ATOM 606 O PRO A 39 -6.961 -5.370 7.870 1.00 0.00 O ATOM 607 CB PRO A 39 -7.766 -6.983 5.450 1.00 0.00 C ATOM 608 CG PRO A 39 -9.233 -6.540 5.669 1.00 0.00 C ATOM 609 CD PRO A 39 -9.724 -7.266 6.929 1.00 0.00 C ATOM 0 HA PRO A 39 -6.583 -8.336 6.685 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.157 -6.150 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -7.705 -7.764 4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.297 -5.459 5.794 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.849 -6.798 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.223 -6.581 7.615 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -10.440 -8.050 6.684 1.00 0.00 H new ATOM 617 N ALA A 40 -5.241 -6.744 7.871 1.00 0.00 N ATOM 618 CA ALA A 40 -4.383 -5.787 8.627 1.00 0.00 C ATOM 619 C ALA A 40 -4.527 -4.391 8.035 1.00 0.00 C ATOM 620 O ALA A 40 -4.281 -3.399 8.693 1.00 0.00 O ATOM 621 CB ALA A 40 -2.930 -6.231 8.511 1.00 0.00 C ATOM 0 H ALA A 40 -4.788 -7.625 7.627 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.688 -5.769 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.293 -5.538 9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.821 -7.232 8.928 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.635 -6.241 7.462 1.00 0.00 H new ATOM 627 N ASP A 41 -4.919 -4.302 6.800 1.00 0.00 N ATOM 628 CA ASP A 41 -5.073 -2.967 6.170 1.00 0.00 C ATOM 629 C ASP A 41 -6.141 -2.161 6.924 1.00 0.00 C ATOM 630 O ASP A 41 -5.848 -1.164 7.553 1.00 0.00 O ATOM 631 CB ASP A 41 -5.496 -3.137 4.711 1.00 0.00 C ATOM 632 CG ASP A 41 -4.360 -2.679 3.794 1.00 0.00 C ATOM 633 OD1 ASP A 41 -3.557 -1.875 4.237 1.00 0.00 O ATOM 634 OD2 ASP A 41 -4.312 -3.141 2.666 1.00 0.00 O ATOM 0 H ASP A 41 -5.140 -5.096 6.199 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.123 -2.435 6.213 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.741 -4.180 4.511 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.396 -2.555 4.512 1.00 0.00 H new ATOM 639 N GLN A 42 -7.378 -2.588 6.871 1.00 0.00 N ATOM 640 CA GLN A 42 -8.457 -1.845 7.593 1.00 0.00 C ATOM 641 C GLN A 42 -8.150 -1.872 9.089 1.00 0.00 C ATOM 642 O GLN A 42 -8.257 -0.883 9.786 1.00 0.00 O ATOM 643 CB GLN A 42 -9.803 -2.523 7.330 1.00 0.00 C ATOM 644 CG GLN A 42 -10.674 -1.609 6.467 1.00 0.00 C ATOM 645 CD GLN A 42 -12.130 -2.075 6.528 1.00 0.00 C ATOM 646 OE1 GLN A 42 -12.405 -3.199 6.899 1.00 0.00 O ATOM 647 NE2 GLN A 42 -13.081 -1.252 6.177 1.00 0.00 N ATOM 0 H GLN A 42 -7.687 -3.416 6.361 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.503 -0.814 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.649 -3.478 6.827 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.305 -2.737 8.274 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.597 -0.580 6.818 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -10.321 -1.622 5.436 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -12.850 -0.309 5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.055 -1.553 6.214 1.00 0.00 H new ATOM 656 N LEU A 43 -7.737 -3.008 9.567 1.00 0.00 N ATOM 657 CA LEU A 43 -7.380 -3.166 11.003 1.00 0.00 C ATOM 658 C LEU A 43 -6.193 -2.256 11.305 1.00 0.00 C ATOM 659 O LEU A 43 -5.287 -2.142 10.504 1.00 0.00 O ATOM 660 CB LEU A 43 -6.947 -4.619 11.199 1.00 0.00 C ATOM 661 CG LEU A 43 -7.523 -5.198 12.483 1.00 0.00 C ATOM 662 CD1 LEU A 43 -9.040 -5.370 12.344 1.00 0.00 C ATOM 663 CD2 LEU A 43 -6.871 -6.560 12.721 1.00 0.00 C ATOM 0 H LEU A 43 -7.629 -3.855 9.010 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.217 -2.913 11.654 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.275 -5.217 10.349 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.859 -4.676 11.228 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.325 -4.529 13.320 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.445 -5.785 13.267 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.500 -4.401 12.149 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.255 -6.047 11.517 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.267 -6.998 13.637 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.088 -7.219 11.880 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.792 -6.435 12.815 1.00 0.00 H new ATOM 675 N ARG A 44 -6.154 -1.612 12.441 1.00 0.00 N ATOM 676 CA ARG A 44 -4.973 -0.751 12.704 1.00 0.00 C ATOM 677 C ARG A 44 -4.710 -0.589 14.188 1.00 0.00 C ATOM 678 O ARG A 44 -5.497 -0.041 14.934 1.00 0.00 O ATOM 679 CB ARG A 44 -5.128 0.601 12.025 1.00 0.00 C ATOM 680 CG ARG A 44 -4.143 0.632 10.855 1.00 0.00 C ATOM 681 CD ARG A 44 -4.906 0.788 9.541 1.00 0.00 C ATOM 682 NE ARG A 44 -3.938 0.897 8.413 1.00 0.00 N ATOM 683 CZ ARG A 44 -3.660 2.064 7.894 1.00 0.00 C ATOM 684 NH1 ARG A 44 -2.739 2.816 8.432 1.00 0.00 N ATOM 685 NH2 ARG A 44 -4.299 2.476 6.834 1.00 0.00 N ATOM 0 H ARG A 44 -6.863 -1.643 13.173 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.104 -1.251 12.277 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.150 0.740 11.672 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.920 1.410 12.725 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.442 1.457 10.979 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.555 -0.286 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.565 -0.067 9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.538 1.675 9.579 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.491 0.058 8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.235 2.493 9.258 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.523 3.727 8.026 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.016 1.887 6.410 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.082 3.387 6.429 1.00 0.00 H new ATOM 699 N VAL A 45 -3.580 -1.076 14.596 1.00 0.00 N ATOM 700 CA VAL A 45 -3.165 -1.013 16.012 1.00 0.00 C ATOM 701 C VAL A 45 -2.433 0.297 16.296 1.00 0.00 C ATOM 702 O VAL A 45 -1.440 0.617 15.672 1.00 0.00 O ATOM 703 CB VAL A 45 -2.217 -2.176 16.270 1.00 0.00 C ATOM 704 CG1 VAL A 45 -2.200 -2.478 17.758 1.00 0.00 C ATOM 705 CG2 VAL A 45 -2.712 -3.401 15.505 1.00 0.00 C ATOM 0 H VAL A 45 -2.905 -1.531 13.982 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.042 -1.068 16.657 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.211 -1.921 15.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.523 -3.310 17.953 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.860 -1.598 18.304 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.205 -2.743 18.087 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.038 -4.239 15.684 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.714 -3.662 15.845 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.738 -3.178 14.438 1.00 0.00 H new ATOM 715 N ILE A 46 -2.905 1.045 17.248 1.00 0.00 N ATOM 716 CA ILE A 46 -2.236 2.324 17.598 1.00 0.00 C ATOM 717 C ILE A 46 -1.977 2.328 19.108 1.00 0.00 C ATOM 718 O ILE A 46 -2.876 2.190 19.907 1.00 0.00 O ATOM 719 CB ILE A 46 -3.141 3.473 17.173 1.00 0.00 C ATOM 720 CG1 ILE A 46 -3.377 3.361 15.658 1.00 0.00 C ATOM 721 CG2 ILE A 46 -2.473 4.813 17.498 1.00 0.00 C ATOM 722 CD1 ILE A 46 -4.816 3.765 15.345 1.00 0.00 C ATOM 0 H ILE A 46 -3.732 0.824 17.803 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.281 2.438 17.085 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.089 3.422 17.708 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.680 4.004 15.120 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.192 2.340 15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.127 5.629 17.191 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.291 4.878 18.571 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.526 4.886 16.964 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.990 3.688 14.272 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.503 3.103 15.873 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.984 4.793 15.667 1.00 0.00 H new ATOM 734 N PHE A 47 -0.744 2.432 19.500 1.00 0.00 N ATOM 735 CA PHE A 47 -0.410 2.363 20.952 1.00 0.00 C ATOM 736 C PHE A 47 -0.496 3.722 21.645 1.00 0.00 C ATOM 737 O PHE A 47 0.106 4.684 21.229 1.00 0.00 O ATOM 738 CB PHE A 47 1.014 1.877 21.081 1.00 0.00 C ATOM 739 CG PHE A 47 1.526 2.303 22.420 1.00 0.00 C ATOM 740 CD1 PHE A 47 2.080 3.577 22.587 1.00 0.00 C ATOM 741 CD2 PHE A 47 1.455 1.414 23.488 1.00 0.00 C ATOM 742 CE1 PHE A 47 2.572 3.960 23.840 1.00 0.00 C ATOM 743 CE2 PHE A 47 1.939 1.795 24.746 1.00 0.00 C ATOM 744 CZ PHE A 47 2.503 3.068 24.920 1.00 0.00 C ATOM 0 H PHE A 47 0.054 2.563 18.878 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.131 1.695 21.424 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.057 0.792 20.984 1.00 0.00 H new ATOM 0 HB3 PHE A 47 1.633 2.293 20.286 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.128 4.262 21.753 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.028 0.432 23.347 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.004 4.941 23.975 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.878 1.111 25.580 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.884 3.361 25.887 1.00 0.00 H new ATOM 754 N ALA A 48 -1.198 3.768 22.746 1.00 0.00 N ATOM 755 CA ALA A 48 -1.307 5.027 23.548 1.00 0.00 C ATOM 756 C ALA A 48 -1.912 6.169 22.731 1.00 0.00 C ATOM 757 O ALA A 48 -1.974 7.295 23.184 1.00 0.00 O ATOM 758 CB ALA A 48 0.079 5.438 24.033 1.00 0.00 C ATOM 0 H ALA A 48 -1.710 2.974 23.132 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.966 4.830 24.394 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.003 6.355 24.618 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.497 4.646 24.654 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.729 5.608 23.175 1.00 0.00 H new ATOM 764 N GLY A 49 -2.377 5.899 21.554 1.00 0.00 N ATOM 765 CA GLY A 49 -2.993 6.985 20.746 1.00 0.00 C ATOM 766 C GLY A 49 -2.006 7.525 19.712 1.00 0.00 C ATOM 767 O GLY A 49 -2.332 8.416 18.953 1.00 0.00 O ATOM 0 H GLY A 49 -2.360 4.979 21.113 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.883 6.608 20.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.316 7.793 21.402 1.00 0.00 H new ATOM 771 N LYS A 50 -0.805 7.011 19.650 1.00 0.00 N ATOM 772 CA LYS A 50 0.140 7.544 18.636 1.00 0.00 C ATOM 773 C LYS A 50 0.085 6.662 17.389 1.00 0.00 C ATOM 774 O LYS A 50 0.401 5.490 17.434 1.00 0.00 O ATOM 775 CB LYS A 50 1.563 7.542 19.201 1.00 0.00 C ATOM 776 CG LYS A 50 1.772 8.785 20.066 1.00 0.00 C ATOM 777 CD LYS A 50 1.113 8.576 21.430 1.00 0.00 C ATOM 778 CE LYS A 50 1.265 9.843 22.272 1.00 0.00 C ATOM 779 NZ LYS A 50 -0.081 10.304 22.719 1.00 0.00 N ATOM 0 H LYS A 50 -0.447 6.263 20.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.140 8.566 18.379 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.729 6.642 19.793 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.288 7.526 18.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.837 8.979 20.191 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.345 9.659 19.574 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.057 8.336 21.302 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.572 7.730 21.941 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.899 9.645 23.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.754 10.624 21.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.020 11.166 23.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.672 10.508 21.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.531 9.560 23.289 1.00 0.00 H new ATOM 793 N GLU A 51 -0.310 7.218 16.274 1.00 0.00 N ATOM 794 CA GLU A 51 -0.377 6.409 15.028 1.00 0.00 C ATOM 795 C GLU A 51 1.043 6.028 14.628 1.00 0.00 C ATOM 796 O GLU A 51 1.791 6.834 14.112 1.00 0.00 O ATOM 797 CB GLU A 51 -1.026 7.225 13.908 1.00 0.00 C ATOM 798 CG GLU A 51 -1.276 6.315 12.703 1.00 0.00 C ATOM 799 CD GLU A 51 -1.443 7.167 11.444 1.00 0.00 C ATOM 800 OE1 GLU A 51 -0.912 8.264 11.420 1.00 0.00 O ATOM 801 OE2 GLU A 51 -2.101 6.707 10.525 1.00 0.00 O ATOM 0 H GLU A 51 -0.588 8.194 16.175 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.975 5.514 15.197 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.965 7.657 14.254 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.379 8.055 13.624 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.443 5.623 12.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.169 5.713 12.868 1.00 0.00 H new ATOM 808 N LEU A 52 1.427 4.812 14.879 1.00 0.00 N ATOM 809 CA LEU A 52 2.808 4.389 14.531 1.00 0.00 C ATOM 810 C LEU A 52 2.861 3.942 13.072 1.00 0.00 C ATOM 811 O LEU A 52 2.012 3.194 12.629 1.00 0.00 O ATOM 812 CB LEU A 52 3.221 3.213 15.422 1.00 0.00 C ATOM 813 CG LEU A 52 2.565 3.349 16.791 1.00 0.00 C ATOM 814 CD1 LEU A 52 3.143 2.296 17.737 1.00 0.00 C ATOM 815 CD2 LEU A 52 2.855 4.744 17.346 1.00 0.00 C ATOM 0 H LEU A 52 0.846 4.093 15.310 1.00 0.00 H new ATOM 0 HA LEU A 52 3.485 5.229 14.682 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.925 2.272 14.958 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.305 3.189 15.529 1.00 0.00 H new ATOM 0 HG LEU A 52 1.488 3.204 16.701 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.675 2.391 18.717 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.948 1.301 17.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.219 2.444 17.832 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.389 4.850 18.326 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.932 4.882 17.440 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.451 5.496 16.669 1.00 0.00 H new ATOM 827 N PRO A 53 3.876 4.380 12.372 1.00 0.00 N ATOM 828 CA PRO A 53 4.073 3.994 10.967 1.00 0.00 C ATOM 829 C PRO A 53 4.410 2.504 10.889 1.00 0.00 C ATOM 830 O PRO A 53 5.200 1.986 11.649 1.00 0.00 O ATOM 831 CB PRO A 53 5.223 4.887 10.495 1.00 0.00 C ATOM 832 CG PRO A 53 5.962 5.345 11.772 1.00 0.00 C ATOM 833 CD PRO A 53 4.918 5.285 12.906 1.00 0.00 C ATOM 0 HA PRO A 53 3.192 4.129 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.893 4.341 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.847 5.743 9.934 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.811 4.696 11.987 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.355 6.355 11.655 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.350 4.898 13.829 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.514 6.272 13.132 1.00 0.00 H new ATOM 841 N ASN A 54 3.780 1.806 9.999 1.00 0.00 N ATOM 842 CA ASN A 54 4.006 0.334 9.886 1.00 0.00 C ATOM 843 C ASN A 54 5.497 -0.016 9.746 1.00 0.00 C ATOM 844 O ASN A 54 5.862 -1.173 9.815 1.00 0.00 O ATOM 845 CB ASN A 54 3.277 -0.194 8.647 1.00 0.00 C ATOM 846 CG ASN A 54 1.933 0.517 8.476 1.00 0.00 C ATOM 847 OD1 ASN A 54 1.135 0.563 9.391 1.00 0.00 O ATOM 848 ND2 ASN A 54 1.649 1.075 7.330 1.00 0.00 N ATOM 0 H ASN A 54 3.109 2.190 9.334 1.00 0.00 H new ATOM 0 HA ASN A 54 3.627 -0.124 10.800 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.893 -0.039 7.761 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.118 -1.268 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.756 1.551 7.202 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.320 1.035 6.563 1.00 0.00 H new ATOM 855 N HIS A 55 6.361 0.933 9.507 1.00 0.00 N ATOM 856 CA HIS A 55 7.800 0.570 9.320 1.00 0.00 C ATOM 857 C HIS A 55 8.627 0.802 10.592 1.00 0.00 C ATOM 858 O HIS A 55 9.820 1.014 10.523 1.00 0.00 O ATOM 859 CB HIS A 55 8.387 1.407 8.184 1.00 0.00 C ATOM 860 CG HIS A 55 8.175 2.868 8.480 1.00 0.00 C ATOM 861 ND1 HIS A 55 7.956 3.802 7.478 1.00 0.00 N ATOM 862 CD2 HIS A 55 8.148 3.570 9.660 1.00 0.00 C ATOM 863 CE1 HIS A 55 7.811 5.002 8.069 1.00 0.00 C ATOM 864 NE2 HIS A 55 7.921 4.918 9.398 1.00 0.00 N ATOM 0 H HIS A 55 6.142 1.926 9.434 1.00 0.00 H new ATOM 0 HA HIS A 55 7.844 -0.493 9.082 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.451 1.197 8.075 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.911 1.143 7.239 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.913 3.614 6.476 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.282 3.141 10.642 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.628 5.922 7.534 1.00 0.00 H new ATOM 872 N LEU A 56 8.031 0.732 11.747 1.00 0.00 N ATOM 873 CA LEU A 56 8.836 0.913 12.989 1.00 0.00 C ATOM 874 C LEU A 56 8.807 -0.392 13.774 1.00 0.00 C ATOM 875 O LEU A 56 8.002 -1.263 13.509 1.00 0.00 O ATOM 876 CB LEU A 56 8.264 2.032 13.847 1.00 0.00 C ATOM 877 CG LEU A 56 6.896 1.607 14.336 1.00 0.00 C ATOM 878 CD1 LEU A 56 6.924 1.405 15.851 1.00 0.00 C ATOM 879 CD2 LEU A 56 5.894 2.693 13.989 1.00 0.00 C ATOM 0 H LEU A 56 7.035 0.560 11.887 1.00 0.00 H new ATOM 0 HA LEU A 56 9.858 1.178 12.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.922 2.237 14.692 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.191 2.953 13.269 1.00 0.00 H new ATOM 0 HG LEU A 56 6.612 0.669 13.859 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.936 1.099 16.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.651 0.632 16.102 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.205 2.339 16.337 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.904 2.399 14.336 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.186 3.625 14.473 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.872 2.836 12.909 1.00 0.00 H new ATOM 891 N THR A 57 9.679 -0.550 14.723 1.00 0.00 N ATOM 892 CA THR A 57 9.689 -1.817 15.496 1.00 0.00 C ATOM 893 C THR A 57 8.818 -1.683 16.744 1.00 0.00 C ATOM 894 O THR A 57 8.336 -0.620 17.077 1.00 0.00 O ATOM 895 CB THR A 57 11.121 -2.168 15.892 1.00 0.00 C ATOM 896 OG1 THR A 57 11.913 -0.988 15.915 1.00 0.00 O ATOM 897 CG2 THR A 57 11.682 -3.149 14.866 1.00 0.00 C ATOM 0 H THR A 57 10.381 0.138 14.996 1.00 0.00 H new ATOM 0 HA THR A 57 9.284 -2.615 14.873 1.00 0.00 H new ATOM 0 HB THR A 57 11.135 -2.620 16.884 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.831 -1.215 16.171 1.00 0.00 H new ATOM 0 HG21 THR A 57 12.706 -3.410 15.134 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.069 -4.050 14.851 1.00 0.00 H new ATOM 0 HG23 THR A 57 11.672 -2.688 13.878 1.00 0.00 H new ATOM 905 N VAL A 58 8.600 -2.771 17.420 1.00 0.00 N ATOM 906 CA VAL A 58 7.745 -2.745 18.637 1.00 0.00 C ATOM 907 C VAL A 58 8.356 -1.823 19.704 1.00 0.00 C ATOM 908 O VAL A 58 7.659 -1.102 20.386 1.00 0.00 O ATOM 909 CB VAL A 58 7.614 -4.180 19.158 1.00 0.00 C ATOM 910 CG1 VAL A 58 7.224 -4.171 20.637 1.00 0.00 C ATOM 911 CG2 VAL A 58 6.528 -4.889 18.346 1.00 0.00 C ATOM 0 H VAL A 58 8.980 -3.687 17.181 1.00 0.00 H new ATOM 0 HA VAL A 58 6.758 -2.351 18.396 1.00 0.00 H new ATOM 0 HB VAL A 58 8.567 -4.699 19.054 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.134 -5.196 20.996 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.990 -3.651 21.212 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.269 -3.659 20.758 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.419 -5.914 18.701 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.582 -4.361 18.465 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.809 -4.898 17.293 1.00 0.00 H new ATOM 921 N GLN A 59 9.647 -1.829 19.854 1.00 0.00 N ATOM 922 CA GLN A 59 10.283 -0.943 20.877 1.00 0.00 C ATOM 923 C GLN A 59 10.602 0.413 20.255 1.00 0.00 C ATOM 924 O GLN A 59 11.421 1.160 20.753 1.00 0.00 O ATOM 925 CB GLN A 59 11.590 -1.574 21.322 1.00 0.00 C ATOM 926 CG GLN A 59 11.379 -2.345 22.624 1.00 0.00 C ATOM 927 CD GLN A 59 12.667 -2.306 23.449 1.00 0.00 C ATOM 928 OE1 GLN A 59 12.626 -2.344 24.662 1.00 0.00 O ATOM 929 NE2 GLN A 59 13.816 -2.231 22.836 1.00 0.00 N ATOM 0 H GLN A 59 10.294 -2.406 19.316 1.00 0.00 H new ATOM 0 HA GLN A 59 9.603 -0.817 21.719 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.962 -2.245 20.548 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.346 -0.802 21.465 1.00 0.00 H new ATOM 0 HG2 GLN A 59 10.557 -1.907 23.190 1.00 0.00 H new ATOM 0 HG3 GLN A 59 11.103 -3.377 22.408 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.849 -2.199 21.817 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.681 -2.204 23.376 1.00 0.00 H new ATOM 938 N ASN A 60 9.977 0.725 19.164 1.00 0.00 N ATOM 939 CA ASN A 60 10.257 2.032 18.490 1.00 0.00 C ATOM 940 C ASN A 60 9.360 3.124 19.068 1.00 0.00 C ATOM 941 O ASN A 60 9.824 4.078 19.658 1.00 0.00 O ATOM 942 CB ASN A 60 10.005 1.908 16.985 1.00 0.00 C ATOM 943 CG ASN A 60 11.282 2.254 16.218 1.00 0.00 C ATOM 944 OD1 ASN A 60 11.260 3.057 15.306 1.00 0.00 O ATOM 945 ND2 ASN A 60 12.407 1.677 16.548 1.00 0.00 N ATOM 0 H ASN A 60 9.282 0.138 18.702 1.00 0.00 H new ATOM 0 HA ASN A 60 11.300 2.297 18.661 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.687 0.894 16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.197 2.576 16.686 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.263 1.901 16.041 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.429 1.003 17.313 1.00 0.00 H new ATOM 952 N CYS A 61 8.074 2.982 18.913 1.00 0.00 N ATOM 953 CA CYS A 61 7.145 4.000 19.466 1.00 0.00 C ATOM 954 C CYS A 61 7.141 3.871 20.985 1.00 0.00 C ATOM 955 O CYS A 61 6.676 4.748 21.684 1.00 0.00 O ATOM 956 CB CYS A 61 5.734 3.762 18.927 1.00 0.00 C ATOM 957 SG CYS A 61 4.573 4.859 19.780 1.00 0.00 S ATOM 0 H CYS A 61 7.628 2.204 18.427 1.00 0.00 H new ATOM 0 HA CYS A 61 7.468 4.999 19.173 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.706 3.949 17.853 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.446 2.722 19.077 1.00 0.00 H new ATOM 0 HG CYS A 61 5.081 5.227 20.919 1.00 0.00 H new ATOM 963 N ASP A 62 7.655 2.764 21.477 1.00 0.00 N ATOM 964 CA ASP A 62 7.715 2.497 22.945 1.00 0.00 C ATOM 965 C ASP A 62 6.654 1.463 23.311 1.00 0.00 C ATOM 966 O ASP A 62 6.142 1.456 24.414 1.00 0.00 O ATOM 967 CB ASP A 62 7.485 3.775 23.758 1.00 0.00 C ATOM 968 CG ASP A 62 7.999 3.570 25.186 1.00 0.00 C ATOM 969 OD1 ASP A 62 7.770 2.503 25.730 1.00 0.00 O ATOM 970 OD2 ASP A 62 8.612 4.486 25.710 1.00 0.00 O ATOM 0 H ASP A 62 8.045 2.018 20.901 1.00 0.00 H new ATOM 0 HA ASP A 62 8.710 2.120 23.184 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.001 4.614 23.291 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.424 4.023 23.774 1.00 0.00 H new ATOM 975 N LEU A 63 6.333 0.562 22.414 1.00 0.00 N ATOM 976 CA LEU A 63 5.320 -0.477 22.773 1.00 0.00 C ATOM 977 C LEU A 63 5.971 -1.385 23.811 1.00 0.00 C ATOM 978 O LEU A 63 5.568 -1.449 24.955 1.00 0.00 O ATOM 979 CB LEU A 63 4.944 -1.288 21.551 1.00 0.00 C ATOM 980 CG LEU A 63 4.276 -0.361 20.556 1.00 0.00 C ATOM 981 CD1 LEU A 63 4.968 -0.520 19.218 1.00 0.00 C ATOM 982 CD2 LEU A 63 2.800 -0.728 20.441 1.00 0.00 C ATOM 0 H LEU A 63 6.718 0.501 21.471 1.00 0.00 H new ATOM 0 HA LEU A 63 4.413 -0.015 23.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.830 -1.744 21.110 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.271 -2.100 21.826 1.00 0.00 H new ATOM 0 HG LEU A 63 4.352 0.676 20.883 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.501 0.140 18.486 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.022 -0.261 19.320 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.879 -1.553 18.883 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.315 -0.064 19.726 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.707 -1.759 20.100 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.322 -0.624 21.415 1.00 0.00 H new ATOM 994 N GLU A 64 7.023 -2.044 23.409 1.00 0.00 N ATOM 995 CA GLU A 64 7.788 -2.919 24.346 1.00 0.00 C ATOM 996 C GLU A 64 6.898 -3.993 24.981 1.00 0.00 C ATOM 997 O GLU A 64 5.686 -3.909 24.973 1.00 0.00 O ATOM 998 CB GLU A 64 8.380 -2.041 25.452 1.00 0.00 C ATOM 999 CG GLU A 64 9.743 -2.589 25.875 1.00 0.00 C ATOM 1000 CD GLU A 64 10.251 -1.804 27.086 1.00 0.00 C ATOM 1001 OE1 GLU A 64 10.297 -0.588 27.002 1.00 0.00 O ATOM 1002 OE2 GLU A 64 10.584 -2.431 28.078 1.00 0.00 O ATOM 0 H GLU A 64 7.391 -2.014 22.458 1.00 0.00 H new ATOM 0 HA GLU A 64 8.570 -3.427 23.782 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.484 -1.015 25.098 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.706 -2.016 26.309 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.661 -3.648 26.122 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.452 -2.508 25.051 1.00 0.00 H new ATOM 1009 N GLN A 65 7.521 -4.999 25.545 1.00 0.00 N ATOM 1010 CA GLN A 65 6.768 -6.105 26.213 1.00 0.00 C ATOM 1011 C GLN A 65 5.551 -5.539 26.945 1.00 0.00 C ATOM 1012 O GLN A 65 5.673 -4.672 27.789 1.00 0.00 O ATOM 1013 CB GLN A 65 7.688 -6.806 27.223 1.00 0.00 C ATOM 1014 CG GLN A 65 8.523 -5.771 27.981 1.00 0.00 C ATOM 1015 CD GLN A 65 9.881 -6.375 28.342 1.00 0.00 C ATOM 1016 OE1 GLN A 65 10.209 -6.510 29.503 1.00 0.00 O ATOM 1017 NE2 GLN A 65 10.691 -6.747 27.388 1.00 0.00 N ATOM 0 H GLN A 65 8.536 -5.101 25.571 1.00 0.00 H new ATOM 0 HA GLN A 65 6.433 -6.818 25.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.092 -7.389 27.925 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.344 -7.505 26.705 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.661 -4.880 27.368 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.000 -5.458 28.885 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.416 -6.634 26.412 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.599 -7.151 27.618 1.00 0.00 H new ATOM 1026 N GLN A 66 4.375 -6.010 26.624 1.00 0.00 N ATOM 1027 CA GLN A 66 3.163 -5.485 27.296 1.00 0.00 C ATOM 1028 C GLN A 66 2.883 -4.092 26.741 1.00 0.00 C ATOM 1029 O GLN A 66 3.595 -3.146 27.014 1.00 0.00 O ATOM 1030 CB GLN A 66 3.404 -5.402 28.802 1.00 0.00 C ATOM 1031 CG GLN A 66 2.289 -6.146 29.538 1.00 0.00 C ATOM 1032 CD GLN A 66 2.461 -5.953 31.044 1.00 0.00 C ATOM 1033 OE1 GLN A 66 3.657 -5.762 31.529 1.00 0.00 O flip ATOM 1034 NE2 GLN A 66 1.500 -5.974 31.786 1.00 0.00 N flip ATOM 0 H GLN A 66 4.207 -6.734 25.926 1.00 0.00 H new ATOM 0 HA GLN A 66 2.313 -6.143 27.115 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.372 -5.837 29.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.432 -4.360 29.120 1.00 0.00 H new ATOM 0 HG2 GLN A 66 1.316 -5.772 29.221 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.319 -7.207 29.290 1.00 0.00 H new ATOM 0 HE21 GLN A 66 0.565 -6.123 31.406 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.627 -5.842 32.789 1.00 0.00 H new ATOM 1043 N SER A 67 1.865 -3.967 25.951 1.00 0.00 N ATOM 1044 CA SER A 67 1.533 -2.647 25.352 1.00 0.00 C ATOM 1045 C SER A 67 0.056 -2.644 25.005 1.00 0.00 C ATOM 1046 O SER A 67 -0.397 -3.414 24.183 1.00 0.00 O ATOM 1047 CB SER A 67 2.357 -2.445 24.079 1.00 0.00 C ATOM 1048 OG SER A 67 3.247 -1.353 24.264 1.00 0.00 O ATOM 0 H SER A 67 1.239 -4.729 25.689 1.00 0.00 H new ATOM 0 HA SER A 67 1.759 -1.844 26.053 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.918 -3.351 23.847 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.698 -2.253 23.232 1.00 0.00 H new ATOM 0 HG SER A 67 3.872 -1.560 24.990 1.00 0.00 H new ATOM 1054 N ILE A 68 -0.711 -1.790 25.612 1.00 0.00 N ATOM 1055 CA ILE A 68 -2.134 -1.772 25.290 1.00 0.00 C ATOM 1056 C ILE A 68 -2.290 -0.925 24.037 1.00 0.00 C ATOM 1057 O ILE A 68 -1.895 0.223 23.984 1.00 0.00 O ATOM 1058 CB ILE A 68 -2.880 -1.195 26.481 1.00 0.00 C ATOM 1059 CG1 ILE A 68 -3.267 -2.333 27.423 1.00 0.00 C ATOM 1060 CG2 ILE A 68 -4.125 -0.485 26.000 1.00 0.00 C ATOM 1061 CD1 ILE A 68 -2.071 -3.271 27.610 1.00 0.00 C ATOM 0 H ILE A 68 -0.405 -1.113 26.311 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.543 -2.764 25.096 1.00 0.00 H new ATOM 0 HB ILE A 68 -2.244 -0.484 27.008 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -3.581 -1.931 28.386 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -4.115 -2.884 27.016 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.661 -0.071 26.854 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.845 0.321 25.322 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.768 -1.193 25.477 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.347 -4.083 28.282 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.777 -3.683 26.645 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.236 -2.715 28.036 1.00 0.00 H new ATOM 1073 N VAL A 69 -2.810 -1.521 23.011 1.00 0.00 N ATOM 1074 CA VAL A 69 -2.945 -0.827 21.714 1.00 0.00 C ATOM 1075 C VAL A 69 -4.424 -0.667 21.368 1.00 0.00 C ATOM 1076 O VAL A 69 -5.282 -1.280 21.964 1.00 0.00 O ATOM 1077 CB VAL A 69 -2.261 -1.665 20.634 1.00 0.00 C ATOM 1078 CG1 VAL A 69 -1.186 -0.820 19.947 1.00 0.00 C ATOM 1079 CG2 VAL A 69 -1.596 -2.888 21.271 1.00 0.00 C ATOM 0 H VAL A 69 -3.154 -2.481 23.018 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.482 0.158 21.773 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.005 -1.990 19.907 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.695 -1.413 19.176 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.648 0.056 19.492 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.449 -0.500 20.683 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.110 -3.482 20.497 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.853 -2.561 21.998 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.351 -3.493 21.772 1.00 0.00 H new ATOM 1089 N HIS A 70 -4.732 0.146 20.405 1.00 0.00 N ATOM 1090 CA HIS A 70 -6.150 0.331 20.024 1.00 0.00 C ATOM 1091 C HIS A 70 -6.321 -0.039 18.552 1.00 0.00 C ATOM 1092 O HIS A 70 -5.923 0.692 17.667 1.00 0.00 O ATOM 1093 CB HIS A 70 -6.538 1.796 20.231 1.00 0.00 C ATOM 1094 CG HIS A 70 -8.018 1.898 20.486 1.00 0.00 C ATOM 1095 ND1 HIS A 70 -8.666 3.117 20.612 1.00 0.00 N ATOM 1096 CD2 HIS A 70 -8.990 0.941 20.644 1.00 0.00 C ATOM 1097 CE1 HIS A 70 -9.968 2.865 20.835 1.00 0.00 C ATOM 1098 NE2 HIS A 70 -10.220 1.553 20.866 1.00 0.00 N ATOM 0 H HIS A 70 -4.061 0.691 19.864 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.788 -0.305 20.638 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.985 2.213 21.072 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.270 2.381 19.351 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.825 -0.125 20.602 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.718 3.630 20.972 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.120 1.098 21.019 1.00 0.00 H new ATOM 1106 N ILE A 71 -6.917 -1.164 18.285 1.00 0.00 N ATOM 1107 CA ILE A 71 -7.123 -1.580 16.882 1.00 0.00 C ATOM 1108 C ILE A 71 -8.315 -0.815 16.312 1.00 0.00 C ATOM 1109 O ILE A 71 -9.270 -0.529 17.008 1.00 0.00 O ATOM 1110 CB ILE A 71 -7.341 -3.095 16.809 1.00 0.00 C ATOM 1111 CG1 ILE A 71 -8.761 -3.420 16.498 1.00 0.00 C ATOM 1112 CG2 ILE A 71 -6.946 -3.800 18.105 1.00 0.00 C ATOM 1113 CD1 ILE A 71 -8.803 -3.833 15.039 1.00 0.00 C ATOM 0 H ILE A 71 -7.271 -1.815 18.986 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.240 -1.348 16.287 1.00 0.00 H new ATOM 0 HB ILE A 71 -6.697 -3.455 16.007 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.123 -4.224 17.139 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.403 -2.557 16.675 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.119 -4.871 18.004 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.891 -3.620 18.310 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.546 -3.412 18.928 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -9.827 -4.082 14.761 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.448 -3.011 14.418 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.164 -4.703 14.889 1.00 0.00 H new ATOM 1125 N VAL A 72 -8.265 -0.469 15.061 1.00 0.00 N ATOM 1126 CA VAL A 72 -9.395 0.285 14.457 1.00 0.00 C ATOM 1127 C VAL A 72 -9.579 -0.145 13.002 1.00 0.00 C ATOM 1128 O VAL A 72 -8.646 -0.154 12.224 1.00 0.00 O ATOM 1129 CB VAL A 72 -9.094 1.784 14.513 1.00 0.00 C ATOM 1130 CG1 VAL A 72 -7.670 2.040 14.012 1.00 0.00 C ATOM 1131 CG2 VAL A 72 -10.091 2.534 13.628 1.00 0.00 C ATOM 0 H VAL A 72 -7.491 -0.675 14.429 1.00 0.00 H new ATOM 0 HA VAL A 72 -10.309 0.076 15.013 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.183 2.136 15.541 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.457 3.108 14.052 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.961 1.504 14.643 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.578 1.690 12.984 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -9.879 3.603 13.666 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.001 2.182 12.600 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.104 2.352 13.986 1.00 0.00 H new ATOM 1141 N GLN A 73 -10.778 -0.498 12.627 1.00 0.00 N ATOM 1142 CA GLN A 73 -11.022 -0.917 11.221 1.00 0.00 C ATOM 1143 C GLN A 73 -11.818 0.172 10.507 1.00 0.00 C ATOM 1144 O GLN A 73 -12.926 0.485 10.894 1.00 0.00 O ATOM 1145 CB GLN A 73 -11.819 -2.225 11.197 1.00 0.00 C ATOM 1146 CG GLN A 73 -12.105 -2.618 9.747 1.00 0.00 C ATOM 1147 CD GLN A 73 -13.599 -2.908 9.582 1.00 0.00 C ATOM 1148 OE1 GLN A 73 -14.231 -2.396 8.682 1.00 0.00 O ATOM 1149 NE2 GLN A 73 -14.193 -3.717 10.419 1.00 0.00 N ATOM 0 H GLN A 73 -11.598 -0.514 13.234 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.067 -1.071 10.719 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.258 -3.015 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.754 -2.104 11.744 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -11.803 -1.815 9.075 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.521 -3.497 9.475 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.662 -4.148 11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.188 -3.918 10.315 1.00 0.00 H new ATOM 1158 N ARG A 74 -11.258 0.750 9.472 1.00 0.00 N ATOM 1159 CA ARG A 74 -11.978 1.823 8.726 1.00 0.00 C ATOM 1160 C ARG A 74 -13.466 1.471 8.656 1.00 0.00 C ATOM 1161 O ARG A 74 -13.877 0.684 7.826 1.00 0.00 O ATOM 1162 CB ARG A 74 -11.414 1.923 7.307 1.00 0.00 C ATOM 1163 CG ARG A 74 -9.923 2.259 7.373 1.00 0.00 C ATOM 1164 CD ARG A 74 -9.687 3.640 6.758 1.00 0.00 C ATOM 1165 NE ARG A 74 -9.294 4.603 7.825 1.00 0.00 N ATOM 1166 CZ ARG A 74 -10.179 5.431 8.312 1.00 0.00 C ATOM 1167 NH1 ARG A 74 -10.718 6.337 7.541 1.00 0.00 N ATOM 1168 NH2 ARG A 74 -10.519 5.358 9.570 1.00 0.00 N ATOM 0 H ARG A 74 -10.331 0.523 9.113 1.00 0.00 H new ATOM 0 HA ARG A 74 -11.847 2.777 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -11.562 0.982 6.778 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -11.946 2.691 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.581 2.246 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -9.345 1.506 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.906 3.583 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.592 3.986 6.258 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.336 4.616 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -10.448 6.398 6.559 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.409 6.984 7.921 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.094 4.654 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -11.210 6.005 9.950 1.00 0.00 H new ATOM 1182 N PRO A 75 -14.225 2.053 9.547 1.00 0.00 N ATOM 1183 CA PRO A 75 -15.670 1.811 9.636 1.00 0.00 C ATOM 1184 C PRO A 75 -16.423 2.581 8.563 1.00 0.00 C ATOM 1185 O PRO A 75 -16.175 3.749 8.335 1.00 0.00 O ATOM 1186 CB PRO A 75 -16.050 2.336 11.019 1.00 0.00 C ATOM 1187 CG PRO A 75 -14.945 3.331 11.415 1.00 0.00 C ATOM 1188 CD PRO A 75 -13.716 3.012 10.544 1.00 0.00 C ATOM 0 HA PRO A 75 -15.919 0.760 9.492 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -17.024 2.824 10.997 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -16.118 1.521 11.740 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -15.275 4.357 11.254 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -14.702 3.236 12.473 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.320 3.909 10.069 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.908 2.582 11.136 1.00 0.00 H new ATOM 1196 N ARG A 76 -17.378 1.959 7.936 1.00 0.00 N ATOM 1197 CA ARG A 76 -18.171 2.696 6.928 1.00 0.00 C ATOM 1198 C ARG A 76 -18.845 3.825 7.693 1.00 0.00 C ATOM 1199 O ARG A 76 -18.791 3.850 8.903 1.00 0.00 O ATOM 1200 CB ARG A 76 -19.223 1.769 6.308 1.00 0.00 C ATOM 1201 CG ARG A 76 -18.610 0.386 6.066 1.00 0.00 C ATOM 1202 CD ARG A 76 -19.035 -0.131 4.689 1.00 0.00 C ATOM 1203 NE ARG A 76 -20.520 -0.090 4.577 1.00 0.00 N ATOM 1204 CZ ARG A 76 -21.234 -1.084 5.028 1.00 0.00 C ATOM 1205 NH1 ARG A 76 -21.430 -1.217 6.311 1.00 0.00 N ATOM 1206 NH2 ARG A 76 -21.754 -1.944 4.197 1.00 0.00 N ATOM 0 H ARG A 76 -17.639 0.983 8.078 1.00 0.00 H new ATOM 0 HA ARG A 76 -17.552 3.073 6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -20.084 1.685 6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -19.583 2.188 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.523 0.444 6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -18.934 -0.307 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.584 0.478 3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -18.677 -1.151 4.546 1.00 0.00 H new ATOM 0 HE ARG A 76 -20.978 0.714 4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -21.025 -0.544 6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -21.988 -1.994 6.664 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.602 -1.840 3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -22.312 -2.721 4.550 1.00 0.00 H new ATOM 1220 N ARG A 77 -19.453 4.770 7.042 1.00 0.00 N ATOM 1221 CA ARG A 77 -20.079 5.870 7.823 1.00 0.00 C ATOM 1222 C ARG A 77 -21.032 5.264 8.858 1.00 0.00 C ATOM 1223 O ARG A 77 -22.193 5.031 8.583 1.00 0.00 O ATOM 1224 CB ARG A 77 -20.862 6.784 6.878 1.00 0.00 C ATOM 1225 CG ARG A 77 -20.188 8.156 6.811 1.00 0.00 C ATOM 1226 CD ARG A 77 -21.070 9.119 6.013 1.00 0.00 C ATOM 1227 NE ARG A 77 -20.462 10.478 6.027 1.00 0.00 N ATOM 1228 CZ ARG A 77 -20.464 11.182 7.126 1.00 0.00 C ATOM 1229 NH1 ARG A 77 -21.584 11.408 7.754 1.00 0.00 N ATOM 1230 NH2 ARG A 77 -19.344 11.662 7.594 1.00 0.00 N ATOM 0 H ARG A 77 -19.544 4.832 6.028 1.00 0.00 H new ATOM 0 HA ARG A 77 -19.308 6.452 8.328 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -20.907 6.341 5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -21.889 6.889 7.227 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.026 8.543 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -19.208 8.069 6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -21.175 8.767 4.987 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -22.071 9.153 6.443 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.044 10.859 5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -22.459 11.035 7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -21.585 11.958 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.468 11.487 7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.344 12.212 8.453 1.00 0.00 H new ATOM 1244 N ARG A 78 -20.548 5.003 10.049 1.00 0.00 N ATOM 1245 CA ARG A 78 -21.428 4.409 11.093 1.00 0.00 C ATOM 1246 C ARG A 78 -22.127 3.173 10.523 1.00 0.00 C ATOM 1247 O ARG A 78 -23.332 3.227 10.346 1.00 0.00 O ATOM 1248 CB ARG A 78 -22.471 5.439 11.524 1.00 0.00 C ATOM 1249 CG ARG A 78 -21.769 6.611 12.211 1.00 0.00 C ATOM 1250 CD ARG A 78 -22.627 7.115 13.372 1.00 0.00 C ATOM 1251 NE ARG A 78 -22.351 6.300 14.588 1.00 0.00 N ATOM 1252 CZ ARG A 78 -22.147 6.888 15.736 1.00 0.00 C ATOM 1253 NH1 ARG A 78 -21.427 7.975 15.792 1.00 0.00 N ATOM 1254 NH2 ARG A 78 -22.662 6.390 16.827 1.00 0.00 N ATOM 1255 OXT ARG A 78 -21.444 2.193 10.275 1.00 0.00 O ATOM 0 H ARG A 78 -19.585 5.176 10.338 1.00 0.00 H new ATOM 0 HA ARG A 78 -20.829 4.120 11.957 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -23.030 5.792 10.657 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -23.191 4.982 12.203 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.791 6.298 12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.599 7.416 11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -22.410 8.165 13.569 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -23.683 7.051 13.111 1.00 0.00 H new ATOM 0 HE ARG A 78 -22.321 5.282 14.524 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.024 8.364 14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -21.267 8.435 16.688 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.225 5.540 16.784 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -22.502 6.850 17.723 1.00 0.00 H new TER 1269 ARG A 78