USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 421 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 52 THR OG1 : rot 140:sc= -1.02 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= -0.198 USER MOD Set 2.1: A 57 THR OG1 : rot -83:sc= 0.426 USER MOD Set 2.2: A 59 THR OG1 : rot -177:sc= 0.393 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0906) USER MOD Single : A 16 ASN : amide:sc=-0.00269 K(o=-0.0027,f=-1.1) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0519) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc= 0 USER MOD Single : A 33 THR OG1 : rot 68:sc= 0.57 USER MOD Single : A 36 LYS NZ :NH3+ 159:sc= -0.221 (180deg=-0.637) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.87) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -2.03! C(o=-2!,f=-2.5!) USER MOD Single : A 53 TYR OH : rot 68:sc= 0.719 USER MOD Single : A 58 LYS NZ :NH3+ -165:sc= -0.0153 (180deg=-0.157) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.00181 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 9 -9.153 -19.628 1.662 1.00 25.22 N ATOM 2 CA MET A 9 -10.097 -20.068 2.684 1.00 55.22 C ATOM 3 C MET A 9 -10.500 -18.906 3.587 1.00 2.22 C ATOM 4 O MET A 9 -9.651 -18.144 4.052 1.00 44.42 O ATOM 5 CB MET A 9 -9.487 -21.193 3.522 1.00 70.33 C ATOM 6 CG MET A 9 -10.522 -22.118 4.141 1.00 65.01 C ATOM 7 SD MET A 9 -9.858 -23.752 4.514 1.00 62.51 S ATOM 8 CE MET A 9 -11.004 -24.305 5.774 1.00 44.12 C ATOM 0 HA MET A 9 -10.989 -20.442 2.182 1.00 55.22 H new ATOM 0 HB2 MET A 9 -8.816 -21.780 2.895 1.00 70.33 H new ATOM 0 HB3 MET A 9 -8.881 -20.756 4.316 1.00 70.33 H new ATOM 0 HG2 MET A 9 -10.904 -21.668 5.057 1.00 65.01 H new ATOM 0 HG3 MET A 9 -11.366 -22.220 3.459 1.00 65.01 H new ATOM 0 HE1 MET A 9 -10.724 -25.305 6.107 1.00 44.12 H new ATOM 0 HE2 MET A 9 -10.973 -23.619 6.620 1.00 44.12 H new ATOM 0 HE3 MET A 9 -12.013 -24.329 5.363 1.00 44.12 H new ATOM 18 N THR A 10 -11.800 -18.776 3.832 1.00 45.20 N ATOM 19 CA THR A 10 -12.315 -17.706 4.678 1.00 61.31 C ATOM 20 C THR A 10 -12.244 -18.089 6.152 1.00 34.02 C ATOM 21 O THR A 10 -12.720 -19.152 6.550 1.00 71.22 O ATOM 22 CB THR A 10 -13.772 -17.358 4.319 1.00 42.22 C ATOM 23 OG1 THR A 10 -13.901 -17.193 2.903 1.00 75.33 O ATOM 24 CG2 THR A 10 -14.214 -16.086 5.026 1.00 3.24 C ATOM 0 H THR A 10 -12.516 -19.398 3.457 1.00 45.20 H new ATOM 0 HA THR A 10 -11.687 -16.833 4.501 1.00 61.31 H new ATOM 0 HB THR A 10 -14.410 -18.178 4.648 1.00 42.22 H new ATOM 0 HG1 THR A 10 -14.830 -16.974 2.683 1.00 75.33 H new ATOM 0 HG21 THR A 10 -15.246 -15.860 4.757 1.00 3.24 H new ATOM 0 HG22 THR A 10 -14.142 -16.226 6.105 1.00 3.24 H new ATOM 0 HG23 THR A 10 -13.571 -15.259 4.723 1.00 3.24 H new ATOM 32 N PHE A 11 -11.649 -17.216 6.958 1.00 45.22 N ATOM 33 CA PHE A 11 -11.516 -17.463 8.388 1.00 71.20 C ATOM 34 C PHE A 11 -12.377 -16.492 9.190 1.00 71.13 C ATOM 35 O PHE A 11 -12.949 -15.552 8.640 1.00 43.45 O ATOM 36 CB PHE A 11 -10.052 -17.337 8.816 1.00 21.33 C ATOM 37 CG PHE A 11 -9.296 -18.634 8.757 1.00 74.31 C ATOM 38 CD1 PHE A 11 -8.311 -18.835 7.803 1.00 70.32 C ATOM 39 CD2 PHE A 11 -9.571 -19.652 9.655 1.00 43.32 C ATOM 40 CE1 PHE A 11 -7.614 -20.027 7.747 1.00 3.44 C ATOM 41 CE2 PHE A 11 -8.877 -20.847 9.604 1.00 63.33 C ATOM 42 CZ PHE A 11 -7.898 -21.035 8.648 1.00 4.11 C ATOM 0 H PHE A 11 -11.251 -16.331 6.644 1.00 45.22 H new ATOM 0 HA PHE A 11 -11.860 -18.478 8.589 1.00 71.20 H new ATOM 0 HB2 PHE A 11 -9.556 -16.607 8.176 1.00 21.33 H new ATOM 0 HB3 PHE A 11 -10.011 -16.948 9.833 1.00 21.33 H new ATOM 0 HD1 PHE A 11 -8.086 -18.051 7.095 1.00 70.32 H new ATOM 0 HD2 PHE A 11 -10.336 -19.511 10.404 1.00 43.32 H new ATOM 0 HE1 PHE A 11 -6.848 -20.170 6.999 1.00 3.44 H new ATOM 0 HE2 PHE A 11 -9.100 -21.632 10.311 1.00 63.33 H new ATOM 0 HZ PHE A 11 -7.356 -21.968 8.605 1.00 4.11 H new ATOM 52 N LYS A 12 -12.464 -16.728 10.495 1.00 2.21 N ATOM 53 CA LYS A 12 -13.254 -15.875 11.375 1.00 21.43 C ATOM 54 C LYS A 12 -12.432 -15.424 12.578 1.00 33.24 C ATOM 55 O LYS A 12 -12.233 -16.184 13.527 1.00 44.41 O ATOM 56 CB LYS A 12 -14.506 -16.617 11.849 1.00 14.14 C ATOM 57 CG LYS A 12 -15.594 -15.697 12.379 1.00 54.40 C ATOM 58 CD LYS A 12 -16.447 -15.137 11.254 1.00 33.22 C ATOM 59 CE LYS A 12 -17.869 -14.862 11.717 1.00 11.53 C ATOM 60 NZ LYS A 12 -18.646 -16.120 11.901 1.00 71.25 N1+ ATOM 0 H LYS A 12 -11.997 -17.503 10.966 1.00 2.21 H new ATOM 0 HA LYS A 12 -13.554 -14.992 10.810 1.00 21.43 H new ATOM 0 HB2 LYS A 12 -14.907 -17.201 11.021 1.00 14.14 H new ATOM 0 HB3 LYS A 12 -14.226 -17.323 12.631 1.00 14.14 H new ATOM 0 HG2 LYS A 12 -16.226 -16.245 13.078 1.00 54.40 H new ATOM 0 HG3 LYS A 12 -15.139 -14.877 12.935 1.00 54.40 H new ATOM 0 HD2 LYS A 12 -16.000 -14.215 10.881 1.00 33.22 H new ATOM 0 HD3 LYS A 12 -16.464 -15.842 10.423 1.00 33.22 H new ATOM 0 HE2 LYS A 12 -17.845 -14.310 12.656 1.00 11.53 H new ATOM 0 HE3 LYS A 12 -18.372 -14.228 10.987 1.00 11.53 H new ATOM 0 HZ1 LYS A 12 -19.658 -15.894 11.983 1.00 71.25 H new ATOM 0 HZ2 LYS A 12 -18.496 -16.744 11.083 1.00 71.25 H new ATOM 0 HZ3 LYS A 12 -18.328 -16.601 12.766 1.00 71.25 H new ATOM 74 N LEU A 13 -11.957 -14.184 12.534 1.00 15.12 N ATOM 75 CA LEU A 13 -11.156 -13.631 13.621 1.00 30.32 C ATOM 76 C LEU A 13 -12.009 -12.751 14.530 1.00 54.04 C ATOM 77 O LEU A 13 -12.327 -11.612 14.186 1.00 14.41 O ATOM 78 CB LEU A 13 -9.986 -12.823 13.059 1.00 23.33 C ATOM 79 CG LEU A 13 -8.738 -12.748 13.939 1.00 71.13 C ATOM 80 CD1 LEU A 13 -7.495 -12.546 13.087 1.00 2.24 C ATOM 81 CD2 LEU A 13 -8.872 -11.631 14.963 1.00 33.20 C ATOM 0 H LEU A 13 -12.113 -13.542 11.757 1.00 15.12 H new ATOM 0 HA LEU A 13 -10.765 -14.460 14.211 1.00 30.32 H new ATOM 0 HB2 LEU A 13 -9.703 -13.252 12.098 1.00 23.33 H new ATOM 0 HB3 LEU A 13 -10.331 -11.807 12.866 1.00 23.33 H new ATOM 0 HG LEU A 13 -8.638 -13.693 14.473 1.00 71.13 H new ATOM 0 HD11 LEU A 13 -6.617 -12.495 13.731 1.00 2.24 H new ATOM 0 HD12 LEU A 13 -7.389 -13.381 12.394 1.00 2.24 H new ATOM 0 HD13 LEU A 13 -7.587 -11.617 12.524 1.00 2.24 H new ATOM 0 HD21 LEU A 13 -7.974 -11.593 15.580 1.00 33.20 H new ATOM 0 HD22 LEU A 13 -8.999 -10.679 14.448 1.00 33.20 H new ATOM 0 HD23 LEU A 13 -9.739 -11.820 15.596 1.00 33.20 H new ATOM 93 N ILE A 14 -12.371 -13.285 15.691 1.00 42.13 N ATOM 94 CA ILE A 14 -13.182 -12.547 16.651 1.00 22.53 C ATOM 95 C ILE A 14 -12.355 -11.483 17.367 1.00 20.35 C ATOM 96 O ILE A 14 -11.301 -11.778 17.931 1.00 31.15 O ATOM 97 CB ILE A 14 -13.809 -13.484 17.699 1.00 63.32 C ATOM 98 CG1 ILE A 14 -14.649 -14.563 17.012 1.00 53.10 C ATOM 99 CG2 ILE A 14 -14.657 -12.691 18.681 1.00 12.25 C ATOM 100 CD1 ILE A 14 -15.761 -14.007 16.151 1.00 23.21 C ATOM 0 H ILE A 14 -12.116 -14.226 15.990 1.00 42.13 H new ATOM 0 HA ILE A 14 -13.979 -12.065 16.084 1.00 22.53 H new ATOM 0 HB ILE A 14 -13.007 -13.971 18.254 1.00 63.32 H new ATOM 0 HG12 ILE A 14 -13.997 -15.181 16.395 1.00 53.10 H new ATOM 0 HG13 ILE A 14 -15.080 -15.215 17.772 1.00 53.10 H new ATOM 0 HG21 ILE A 14 -15.093 -13.369 19.415 1.00 12.25 H new ATOM 0 HG22 ILE A 14 -14.033 -11.957 19.190 1.00 12.25 H new ATOM 0 HG23 ILE A 14 -15.454 -12.178 18.142 1.00 12.25 H new ATOM 0 HD11 ILE A 14 -16.314 -14.829 15.696 1.00 23.21 H new ATOM 0 HD12 ILE A 14 -16.436 -13.413 16.767 1.00 23.21 H new ATOM 0 HD13 ILE A 14 -15.336 -13.379 15.369 1.00 23.21 H new ATOM 112 N ILE A 15 -12.841 -10.248 17.341 1.00 72.01 N ATOM 113 CA ILE A 15 -12.149 -9.141 17.990 1.00 44.34 C ATOM 114 C ILE A 15 -12.577 -9.004 19.448 1.00 3.12 C ATOM 115 O ILE A 15 -13.752 -8.795 19.742 1.00 5.14 O ATOM 116 CB ILE A 15 -12.409 -7.809 17.262 1.00 60.41 C ATOM 117 CG1 ILE A 15 -11.959 -7.904 15.803 1.00 21.24 C ATOM 118 CG2 ILE A 15 -11.692 -6.669 17.971 1.00 55.42 C ATOM 119 CD1 ILE A 15 -12.537 -6.820 14.920 1.00 34.54 C ATOM 0 H ILE A 15 -13.712 -9.988 16.878 1.00 72.01 H new ATOM 0 HA ILE A 15 -11.083 -9.366 17.946 1.00 44.34 H new ATOM 0 HB ILE A 15 -13.480 -7.605 17.279 1.00 60.41 H new ATOM 0 HG12 ILE A 15 -10.871 -7.852 15.763 1.00 21.24 H new ATOM 0 HG13 ILE A 15 -12.247 -8.877 15.405 1.00 21.24 H new ATOM 0 HG21 ILE A 15 -11.885 -5.734 17.445 1.00 55.42 H new ATOM 0 HG22 ILE A 15 -12.057 -6.591 18.995 1.00 55.42 H new ATOM 0 HG23 ILE A 15 -10.620 -6.864 17.982 1.00 55.42 H new ATOM 0 HD11 ILE A 15 -12.175 -6.950 13.900 1.00 34.54 H new ATOM 0 HD12 ILE A 15 -13.625 -6.884 14.930 1.00 34.54 H new ATOM 0 HD13 ILE A 15 -12.228 -5.844 15.293 1.00 34.54 H new ATOM 131 N ASN A 16 -11.613 -9.120 20.355 1.00 60.12 N ATOM 132 CA ASN A 16 -11.890 -9.007 21.783 1.00 11.04 C ATOM 133 C ASN A 16 -10.819 -8.175 22.481 1.00 13.01 C ATOM 134 O ASN A 16 -9.760 -8.686 22.844 1.00 61.40 O ATOM 135 CB ASN A 16 -11.968 -10.396 22.420 1.00 25.41 C ATOM 136 CG ASN A 16 -12.909 -10.436 23.607 1.00 12.13 C ATOM 137 OD1 ASN A 16 -12.475 -10.546 24.754 1.00 15.52 O ATOM 138 ND2 ASN A 16 -14.206 -10.347 23.337 1.00 71.04 N ATOM 0 H ASN A 16 -10.634 -9.292 20.127 1.00 60.12 H new ATOM 0 HA ASN A 16 -12.850 -8.505 21.903 1.00 11.04 H new ATOM 0 HB2 ASN A 16 -12.299 -11.117 21.673 1.00 25.41 H new ATOM 0 HB3 ASN A 16 -10.972 -10.703 22.739 1.00 25.41 H new ATOM 0 HD21 ASN A 16 -14.888 -10.369 24.096 1.00 71.04 H new ATOM 0 HD22 ASN A 16 -14.521 -10.257 22.371 1.00 71.04 H new ATOM 145 N GLY A 17 -11.103 -6.890 22.665 1.00 21.43 N ATOM 146 CA GLY A 17 -10.155 -6.006 23.319 1.00 34.54 C ATOM 147 C GLY A 17 -10.794 -4.714 23.786 1.00 24.01 C ATOM 148 O GLY A 17 -12.019 -4.604 23.850 1.00 42.44 O ATOM 0 H GLY A 17 -11.973 -6.445 22.373 1.00 21.43 H new ATOM 0 HA2 GLY A 17 -9.714 -6.519 24.174 1.00 34.54 H new ATOM 0 HA3 GLY A 17 -9.342 -5.777 22.630 1.00 34.54 H new ATOM 152 N LYS A 18 -9.963 -3.731 24.115 1.00 71.13 N ATOM 153 CA LYS A 18 -10.453 -2.438 24.581 1.00 52.20 C ATOM 154 C LYS A 18 -10.650 -1.479 23.411 1.00 55.11 C ATOM 155 O LYS A 18 -11.758 -1.002 23.165 1.00 12.41 O ATOM 156 CB LYS A 18 -9.475 -1.833 25.591 1.00 24.34 C ATOM 157 CG LYS A 18 -9.215 -2.722 26.793 1.00 63.53 C ATOM 158 CD LYS A 18 -10.375 -2.687 27.775 1.00 1.43 C ATOM 159 CE LYS A 18 -10.209 -1.570 28.794 1.00 70.43 C ATOM 160 NZ LYS A 18 -10.920 -1.870 30.067 1.00 22.11 N1+ ATOM 0 H LYS A 18 -8.947 -3.804 24.068 1.00 71.13 H new ATOM 0 HA LYS A 18 -11.416 -2.595 25.067 1.00 52.20 H new ATOM 0 HB2 LYS A 18 -8.529 -1.628 25.090 1.00 24.34 H new ATOM 0 HB3 LYS A 18 -9.867 -0.876 25.935 1.00 24.34 H new ATOM 0 HG2 LYS A 18 -9.050 -3.747 26.460 1.00 63.53 H new ATOM 0 HG3 LYS A 18 -8.303 -2.399 27.295 1.00 63.53 H new ATOM 0 HD2 LYS A 18 -11.309 -2.549 27.231 1.00 1.43 H new ATOM 0 HD3 LYS A 18 -10.445 -3.644 28.291 1.00 1.43 H new ATOM 0 HE2 LYS A 18 -9.149 -1.419 28.997 1.00 70.43 H new ATOM 0 HE3 LYS A 18 -10.590 -0.638 28.376 1.00 70.43 H new ATOM 0 HZ1 LYS A 18 -10.782 -1.085 30.735 1.00 22.11 H new ATOM 0 HZ2 LYS A 18 -11.936 -1.989 29.878 1.00 22.11 H new ATOM 0 HZ3 LYS A 18 -10.539 -2.746 30.479 1.00 22.11 H new ATOM 174 N THR A 19 -9.568 -1.201 22.690 1.00 41.51 N ATOM 175 CA THR A 19 -9.623 -0.299 21.547 1.00 51.42 C ATOM 176 C THR A 19 -10.456 -0.893 20.417 1.00 1.04 C ATOM 177 O THR A 19 -11.317 -0.222 19.848 1.00 53.32 O ATOM 178 CB THR A 19 -8.212 0.020 21.015 1.00 42.42 C ATOM 179 OG1 THR A 19 -7.320 0.260 22.109 1.00 61.23 O ATOM 180 CG2 THR A 19 -8.240 1.237 20.102 1.00 4.23 C ATOM 0 H THR A 19 -8.643 -1.588 22.878 1.00 41.51 H new ATOM 0 HA THR A 19 -10.090 0.622 21.894 1.00 51.42 H new ATOM 0 HB THR A 19 -7.861 -0.838 20.441 1.00 42.42 H new ATOM 0 HG1 THR A 19 -6.425 0.460 21.764 1.00 61.23 H new ATOM 0 HG21 THR A 19 -7.233 1.443 19.739 1.00 4.23 H new ATOM 0 HG22 THR A 19 -8.898 1.042 19.255 1.00 4.23 H new ATOM 0 HG23 THR A 19 -8.609 2.100 20.657 1.00 4.23 H new ATOM 188 N LEU A 20 -10.195 -2.156 20.098 1.00 34.22 N ATOM 189 CA LEU A 20 -10.923 -2.842 19.035 1.00 63.10 C ATOM 190 C LEU A 20 -11.885 -3.875 19.613 1.00 35.53 C ATOM 191 O LEU A 20 -11.489 -4.739 20.395 1.00 70.32 O ATOM 192 CB LEU A 20 -9.944 -3.521 18.076 1.00 12.42 C ATOM 193 CG LEU A 20 -9.493 -2.688 16.875 1.00 10.52 C ATOM 194 CD1 LEU A 20 -8.479 -3.457 16.043 1.00 42.02 C ATOM 195 CD2 LEU A 20 -10.690 -2.287 16.025 1.00 43.51 C ATOM 0 H LEU A 20 -9.486 -2.726 20.559 1.00 34.22 H new ATOM 0 HA LEU A 20 -11.503 -2.099 18.487 1.00 63.10 H new ATOM 0 HB2 LEU A 20 -9.060 -3.816 18.641 1.00 12.42 H new ATOM 0 HB3 LEU A 20 -10.406 -4.436 17.705 1.00 12.42 H new ATOM 0 HG LEU A 20 -9.015 -1.781 17.245 1.00 10.52 H new ATOM 0 HD11 LEU A 20 -8.170 -2.849 15.193 1.00 42.02 H new ATOM 0 HD12 LEU A 20 -7.609 -3.693 16.656 1.00 42.02 H new ATOM 0 HD13 LEU A 20 -8.930 -4.381 15.683 1.00 42.02 H new ATOM 0 HD21 LEU A 20 -10.351 -1.695 15.175 1.00 43.51 H new ATOM 0 HD22 LEU A 20 -11.197 -3.182 15.665 1.00 43.51 H new ATOM 0 HD23 LEU A 20 -11.381 -1.696 16.626 1.00 43.51 H new ATOM 207 N LYS A 21 -13.152 -3.779 19.222 1.00 21.43 N ATOM 208 CA LYS A 21 -14.171 -4.706 19.699 1.00 21.33 C ATOM 209 C LYS A 21 -15.165 -5.037 18.589 1.00 60.43 C ATOM 210 O LYS A 21 -15.629 -4.151 17.874 1.00 63.44 O ATOM 211 CB LYS A 21 -14.910 -4.111 20.899 1.00 55.53 C ATOM 212 CG LYS A 21 -15.576 -2.778 20.605 1.00 4.33 C ATOM 213 CD LYS A 21 -16.394 -2.290 21.788 1.00 61.32 C ATOM 214 CE LYS A 21 -17.311 -1.141 21.396 1.00 60.53 C ATOM 215 NZ LYS A 21 -16.550 0.011 20.839 1.00 75.34 N1+ ATOM 0 H LYS A 21 -13.497 -3.069 18.576 1.00 21.43 H new ATOM 0 HA LYS A 21 -13.675 -5.627 20.007 1.00 21.33 H new ATOM 0 HB2 LYS A 21 -15.667 -4.819 21.236 1.00 55.53 H new ATOM 0 HB3 LYS A 21 -14.206 -3.982 21.721 1.00 55.53 H new ATOM 0 HG2 LYS A 21 -14.816 -2.037 20.357 1.00 4.33 H new ATOM 0 HG3 LYS A 21 -16.221 -2.877 19.732 1.00 4.33 H new ATOM 0 HD2 LYS A 21 -16.989 -3.113 22.184 1.00 61.32 H new ATOM 0 HD3 LYS A 21 -15.725 -1.967 22.586 1.00 61.32 H new ATOM 0 HE2 LYS A 21 -18.034 -1.489 20.659 1.00 60.53 H new ATOM 0 HE3 LYS A 21 -17.877 -0.814 22.268 1.00 60.53 H new ATOM 0 HZ1 LYS A 21 -17.190 0.821 20.711 1.00 75.34 H new ATOM 0 HZ2 LYS A 21 -15.787 0.273 21.496 1.00 75.34 H new ATOM 0 HZ3 LYS A 21 -16.140 -0.255 19.921 1.00 75.34 H new ATOM 229 N GLY A 22 -15.490 -6.319 18.455 1.00 22.24 N ATOM 230 CA GLY A 22 -16.429 -6.744 17.433 1.00 13.53 C ATOM 231 C GLY A 22 -16.074 -8.096 16.846 1.00 12.33 C ATOM 232 O GLY A 22 -15.493 -8.942 17.526 1.00 22.45 O ATOM 0 H GLY A 22 -15.120 -7.071 19.036 1.00 22.24 H new ATOM 0 HA2 GLY A 22 -17.431 -6.789 17.860 1.00 13.53 H new ATOM 0 HA3 GLY A 22 -16.455 -6.001 16.636 1.00 13.53 H new ATOM 236 N GLU A 23 -16.425 -8.301 15.581 1.00 55.04 N ATOM 237 CA GLU A 23 -16.142 -9.562 14.905 1.00 22.00 C ATOM 238 C GLU A 23 -16.030 -9.357 13.396 1.00 41.13 C ATOM 239 O GLU A 23 -16.555 -8.387 12.848 1.00 33.05 O ATOM 240 CB GLU A 23 -17.235 -10.587 15.211 1.00 73.21 C ATOM 241 CG GLU A 23 -18.574 -10.260 14.570 1.00 40.15 C ATOM 242 CD GLU A 23 -19.592 -11.370 14.745 1.00 51.12 C ATOM 243 OE1 GLU A 23 -20.804 -11.070 14.726 1.00 23.04 O ATOM 244 OE2 GLU A 23 -19.177 -12.536 14.903 1.00 74.14 O1- ATOM 0 H GLU A 23 -16.905 -7.611 15.004 1.00 55.04 H new ATOM 0 HA GLU A 23 -15.188 -9.937 15.276 1.00 22.00 H new ATOM 0 HB2 GLU A 23 -16.907 -11.568 14.868 1.00 73.21 H new ATOM 0 HB3 GLU A 23 -17.366 -10.655 16.291 1.00 73.21 H new ATOM 0 HG2 GLU A 23 -18.966 -9.341 15.005 1.00 40.15 H new ATOM 0 HG3 GLU A 23 -18.427 -10.072 13.507 1.00 40.15 H new ATOM 251 N THR A 24 -15.340 -10.277 12.730 1.00 60.32 N ATOM 252 CA THR A 24 -15.156 -10.199 11.286 1.00 25.32 C ATOM 253 C THR A 24 -14.436 -11.432 10.755 1.00 65.41 C ATOM 254 O THR A 24 -13.983 -12.280 11.526 1.00 73.40 O ATOM 255 CB THR A 24 -14.360 -8.941 10.890 1.00 52.33 C ATOM 256 OG1 THR A 24 -14.379 -8.778 9.467 1.00 13.43 O ATOM 257 CG2 THR A 24 -12.921 -9.038 11.374 1.00 52.42 C ATOM 0 H THR A 24 -14.899 -11.086 13.168 1.00 60.32 H new ATOM 0 HA THR A 24 -16.150 -10.146 10.843 1.00 25.32 H new ATOM 0 HB THR A 24 -14.829 -8.077 11.361 1.00 52.33 H new ATOM 0 HG1 THR A 24 -13.872 -7.975 9.223 1.00 13.43 H new ATOM 0 HG21 THR A 24 -12.378 -8.139 11.083 1.00 52.42 H new ATOM 0 HG22 THR A 24 -12.908 -9.135 12.460 1.00 52.42 H new ATOM 0 HG23 THR A 24 -12.445 -9.910 10.926 1.00 52.42 H new ATOM 265 N THR A 25 -14.330 -11.528 9.433 1.00 73.42 N ATOM 266 CA THR A 25 -13.664 -12.659 8.799 1.00 54.14 C ATOM 267 C THR A 25 -12.335 -12.237 8.182 1.00 20.24 C ATOM 268 O THR A 25 -12.095 -11.053 7.946 1.00 21.12 O ATOM 269 CB THR A 25 -14.547 -13.291 7.708 1.00 10.51 C ATOM 270 OG1 THR A 25 -15.045 -12.274 6.831 1.00 15.43 O ATOM 271 CG2 THR A 25 -15.712 -14.049 8.325 1.00 35.12 C ATOM 0 H THR A 25 -14.697 -10.835 8.780 1.00 73.42 H new ATOM 0 HA THR A 25 -13.481 -13.398 9.579 1.00 54.14 H new ATOM 0 HB THR A 25 -13.937 -13.994 7.141 1.00 10.51 H new ATOM 0 HG1 THR A 25 -15.604 -12.684 6.139 1.00 15.43 H new ATOM 0 HG21 THR A 25 -16.321 -14.486 7.534 1.00 35.12 H new ATOM 0 HG22 THR A 25 -15.330 -14.841 8.969 1.00 35.12 H new ATOM 0 HG23 THR A 25 -16.321 -13.363 8.915 1.00 35.12 H new ATOM 279 N THR A 26 -11.473 -13.216 7.921 1.00 34.41 N ATOM 280 CA THR A 26 -10.168 -12.947 7.331 1.00 23.42 C ATOM 281 C THR A 26 -9.921 -13.832 6.115 1.00 1.43 C ATOM 282 O THR A 26 -9.606 -15.013 6.250 1.00 70.12 O ATOM 283 CB THR A 26 -9.035 -13.167 8.350 1.00 73.24 C ATOM 284 OG1 THR A 26 -9.406 -12.622 9.621 1.00 42.35 O ATOM 285 CG2 THR A 26 -7.744 -12.518 7.873 1.00 5.44 C ATOM 0 H THR A 26 -11.656 -14.202 8.109 1.00 34.41 H new ATOM 0 HA THR A 26 -10.171 -11.902 7.022 1.00 23.42 H new ATOM 0 HB THR A 26 -8.869 -14.240 8.449 1.00 73.24 H new ATOM 0 HG1 THR A 26 -8.628 -12.623 10.217 1.00 42.35 H new ATOM 0 HG21 THR A 26 -6.958 -12.687 8.609 1.00 5.44 H new ATOM 0 HG22 THR A 26 -7.448 -12.955 6.919 1.00 5.44 H new ATOM 0 HG23 THR A 26 -7.900 -11.446 7.748 1.00 5.44 H new ATOM 293 N GLU A 27 -10.067 -13.253 4.926 1.00 32.30 N ATOM 294 CA GLU A 27 -9.860 -13.991 3.687 1.00 63.52 C ATOM 295 C GLU A 27 -8.375 -14.076 3.345 1.00 43.23 C ATOM 296 O GLU A 27 -7.789 -13.121 2.836 1.00 74.31 O ATOM 297 CB GLU A 27 -10.621 -13.326 2.538 1.00 70.54 C ATOM 298 CG GLU A 27 -12.102 -13.666 2.512 1.00 43.32 C ATOM 299 CD GLU A 27 -12.815 -13.077 1.311 1.00 43.31 C ATOM 300 OE1 GLU A 27 -14.025 -12.786 1.423 1.00 4.11 O ATOM 301 OE2 GLU A 27 -12.165 -12.906 0.260 1.00 22.03 O1- ATOM 0 H GLU A 27 -10.328 -12.275 4.796 1.00 32.30 H new ATOM 0 HA GLU A 27 -10.241 -15.002 3.829 1.00 63.52 H new ATOM 0 HB2 GLU A 27 -10.506 -12.245 2.615 1.00 70.54 H new ATOM 0 HB3 GLU A 27 -10.171 -13.628 1.592 1.00 70.54 H new ATOM 0 HG2 GLU A 27 -12.222 -14.749 2.506 1.00 43.32 H new ATOM 0 HG3 GLU A 27 -12.571 -13.299 3.425 1.00 43.32 H new ATOM 308 N ALA A 28 -7.772 -15.225 3.631 1.00 74.12 N ATOM 309 CA ALA A 28 -6.357 -15.436 3.354 1.00 14.14 C ATOM 310 C ALA A 28 -6.118 -16.805 2.726 1.00 53.14 C ATOM 311 O ALA A 28 -7.041 -17.609 2.598 1.00 13.53 O ATOM 312 CB ALA A 28 -5.542 -15.289 4.630 1.00 23.24 C ATOM 0 H ALA A 28 -8.242 -16.025 4.055 1.00 74.12 H new ATOM 0 HA ALA A 28 -6.035 -14.677 2.641 1.00 14.14 H new ATOM 0 HB1 ALA A 28 -4.487 -15.449 4.408 1.00 23.24 H new ATOM 0 HB2 ALA A 28 -5.679 -14.287 5.036 1.00 23.24 H new ATOM 0 HB3 ALA A 28 -5.875 -16.026 5.361 1.00 23.24 H new ATOM 318 N VAL A 29 -4.874 -17.063 2.334 1.00 12.53 N ATOM 319 CA VAL A 29 -4.515 -18.334 1.720 1.00 53.42 C ATOM 320 C VAL A 29 -4.577 -19.472 2.733 1.00 41.52 C ATOM 321 O VAL A 29 -4.902 -20.608 2.387 1.00 0.11 O ATOM 322 CB VAL A 29 -3.101 -18.283 1.110 1.00 63.21 C ATOM 323 CG1 VAL A 29 -2.065 -17.996 2.186 1.00 70.40 C ATOM 324 CG2 VAL A 29 -2.785 -19.583 0.388 1.00 54.14 C ATOM 0 H VAL A 29 -4.098 -16.408 2.431 1.00 12.53 H new ATOM 0 HA VAL A 29 -5.240 -18.517 0.927 1.00 53.42 H new ATOM 0 HB VAL A 29 -3.068 -17.473 0.382 1.00 63.21 H new ATOM 0 HG11 VAL A 29 -1.073 -17.964 1.736 1.00 70.40 H new ATOM 0 HG12 VAL A 29 -2.283 -17.036 2.654 1.00 70.40 H new ATOM 0 HG13 VAL A 29 -2.096 -18.782 2.940 1.00 70.40 H new ATOM 0 HG21 VAL A 29 -1.783 -19.529 -0.037 1.00 54.14 H new ATOM 0 HG22 VAL A 29 -2.836 -20.413 1.093 1.00 54.14 H new ATOM 0 HG23 VAL A 29 -3.509 -19.741 -0.411 1.00 54.14 H new ATOM 334 N ASP A 30 -4.265 -19.159 3.986 1.00 70.43 N ATOM 335 CA ASP A 30 -4.288 -20.154 5.051 1.00 73.32 C ATOM 336 C ASP A 30 -4.409 -19.486 6.417 1.00 34.55 C ATOM 337 O ASP A 30 -4.467 -18.261 6.517 1.00 33.13 O ATOM 338 CB ASP A 30 -3.025 -21.015 5.001 1.00 34.04 C ATOM 339 CG ASP A 30 -1.832 -20.330 5.640 1.00 22.35 C ATOM 340 OD1 ASP A 30 -1.723 -19.092 5.520 1.00 10.52 O ATOM 341 OD2 ASP A 30 -1.008 -21.033 6.263 1.00 12.45 O1- ATOM 0 H ASP A 30 -3.993 -18.224 4.289 1.00 70.43 H new ATOM 0 HA ASP A 30 -5.159 -20.791 4.900 1.00 73.32 H new ATOM 0 HB2 ASP A 30 -3.213 -21.961 5.510 1.00 34.04 H new ATOM 0 HB3 ASP A 30 -2.791 -21.252 3.963 1.00 34.04 H new ATOM 346 N ALA A 31 -4.449 -20.300 7.466 1.00 52.43 N ATOM 347 CA ALA A 31 -4.562 -19.788 8.826 1.00 61.11 C ATOM 348 C ALA A 31 -3.336 -18.965 9.208 1.00 62.31 C ATOM 349 O ALA A 31 -3.446 -17.955 9.901 1.00 72.41 O ATOM 350 CB ALA A 31 -4.757 -20.935 9.808 1.00 3.03 C ATOM 0 H ALA A 31 -4.405 -21.317 7.400 1.00 52.43 H new ATOM 0 HA ALA A 31 -5.433 -19.134 8.869 1.00 61.11 H new ATOM 0 HB1 ALA A 31 -4.840 -20.538 10.820 1.00 3.03 H new ATOM 0 HB2 ALA A 31 -5.667 -21.479 9.556 1.00 3.03 H new ATOM 0 HB3 ALA A 31 -3.904 -21.611 9.752 1.00 3.03 H new ATOM 356 N ALA A 32 -2.169 -19.405 8.751 1.00 53.21 N ATOM 357 CA ALA A 32 -0.922 -18.709 9.043 1.00 75.24 C ATOM 358 C ALA A 32 -0.932 -17.299 8.464 1.00 53.21 C ATOM 359 O ALA A 32 -0.236 -16.409 8.954 1.00 32.14 O ATOM 360 CB ALA A 32 0.262 -19.496 8.501 1.00 74.13 C ATOM 0 H ALA A 32 -2.061 -20.241 8.177 1.00 53.21 H new ATOM 0 HA ALA A 32 -0.825 -18.628 10.126 1.00 75.24 H new ATOM 0 HB1 ALA A 32 1.186 -18.964 8.726 1.00 74.13 H new ATOM 0 HB2 ALA A 32 0.288 -20.481 8.966 1.00 74.13 H new ATOM 0 HB3 ALA A 32 0.161 -19.607 7.421 1.00 74.13 H new ATOM 366 N THR A 33 -1.726 -17.100 7.415 1.00 2.33 N ATOM 367 CA THR A 33 -1.826 -15.798 6.768 1.00 44.21 C ATOM 368 C THR A 33 -2.912 -14.945 7.411 1.00 51.53 C ATOM 369 O THR A 33 -2.760 -13.733 7.554 1.00 72.34 O ATOM 370 CB THR A 33 -2.124 -15.940 5.263 1.00 63.41 C ATOM 371 OG1 THR A 33 -1.106 -16.726 4.634 1.00 42.41 O ATOM 372 CG2 THR A 33 -2.203 -14.575 4.597 1.00 40.45 C ATOM 0 H THR A 33 -2.309 -17.825 6.996 1.00 2.33 H new ATOM 0 HA THR A 33 -0.861 -15.308 6.896 1.00 44.21 H new ATOM 0 HB THR A 33 -3.087 -16.438 5.151 1.00 63.41 H new ATOM 0 HG1 THR A 33 -1.167 -17.652 4.949 1.00 42.41 H new ATOM 0 HG21 THR A 33 -2.414 -14.700 3.535 1.00 40.45 H new ATOM 0 HG22 THR A 33 -2.999 -13.990 5.059 1.00 40.45 H new ATOM 0 HG23 THR A 33 -1.253 -14.055 4.719 1.00 40.45 H new ATOM 380 N ALA A 34 -4.009 -15.588 7.800 1.00 14.43 N ATOM 381 CA ALA A 34 -5.121 -14.888 8.431 1.00 52.31 C ATOM 382 C ALA A 34 -4.641 -14.041 9.605 1.00 14.13 C ATOM 383 O ALA A 34 -5.208 -12.987 9.895 1.00 15.02 O ATOM 384 CB ALA A 34 -6.177 -15.881 8.893 1.00 63.31 C ATOM 0 H ALA A 34 -4.151 -16.592 7.689 1.00 14.43 H new ATOM 0 HA ALA A 34 -5.564 -14.221 7.691 1.00 52.31 H new ATOM 0 HB1 ALA A 34 -7.001 -15.344 9.362 1.00 63.31 H new ATOM 0 HB2 ALA A 34 -6.550 -16.441 8.035 1.00 63.31 H new ATOM 0 HB3 ALA A 34 -5.737 -16.571 9.613 1.00 63.31 H new ATOM 390 N GLU A 35 -3.594 -14.507 10.277 1.00 23.25 N ATOM 391 CA GLU A 35 -3.039 -13.793 11.421 1.00 61.13 C ATOM 392 C GLU A 35 -2.302 -12.534 10.970 1.00 54.43 C ATOM 393 O GLU A 35 -2.576 -11.434 11.450 1.00 43.12 O ATOM 394 CB GLU A 35 -2.089 -14.699 12.206 1.00 10.44 C ATOM 395 CG GLU A 35 -1.302 -13.970 13.282 1.00 0.41 C ATOM 396 CD GLU A 35 -0.990 -14.851 14.475 1.00 3.15 C ATOM 397 OE1 GLU A 35 0.202 -14.979 14.822 1.00 70.32 O ATOM 398 OE2 GLU A 35 -1.938 -15.414 15.063 1.00 74.33 O1- ATOM 0 H GLU A 35 -3.112 -15.377 10.049 1.00 23.25 H new ATOM 0 HA GLU A 35 -3.865 -13.499 12.068 1.00 61.13 H new ATOM 0 HB2 GLU A 35 -2.665 -15.500 12.669 1.00 10.44 H new ATOM 0 HB3 GLU A 35 -1.391 -15.168 11.512 1.00 10.44 H new ATOM 0 HG2 GLU A 35 -0.370 -13.598 12.856 1.00 0.41 H new ATOM 0 HG3 GLU A 35 -1.869 -13.101 13.615 1.00 0.41 H new ATOM 405 N LYS A 36 -1.364 -12.705 10.044 1.00 23.15 N ATOM 406 CA LYS A 36 -0.586 -11.586 9.527 1.00 52.14 C ATOM 407 C LYS A 36 -1.500 -10.508 8.950 1.00 35.55 C ATOM 408 O LYS A 36 -1.132 -9.336 8.888 1.00 40.44 O ATOM 409 CB LYS A 36 0.390 -12.070 8.452 1.00 72.33 C ATOM 410 CG LYS A 36 1.313 -13.179 8.924 1.00 62.51 C ATOM 411 CD LYS A 36 2.394 -13.479 7.899 1.00 63.21 C ATOM 412 CE LYS A 36 1.901 -14.450 6.838 1.00 13.24 C ATOM 413 NZ LYS A 36 1.294 -13.741 5.677 1.00 11.12 N1+ ATOM 0 H LYS A 36 -1.124 -13.609 9.636 1.00 23.15 H new ATOM 0 HA LYS A 36 -0.022 -11.155 10.354 1.00 52.14 H new ATOM 0 HB2 LYS A 36 -0.177 -12.423 7.591 1.00 72.33 H new ATOM 0 HB3 LYS A 36 0.992 -11.227 8.114 1.00 72.33 H new ATOM 0 HG2 LYS A 36 1.775 -12.892 9.868 1.00 62.51 H new ATOM 0 HG3 LYS A 36 0.731 -14.081 9.115 1.00 62.51 H new ATOM 0 HD2 LYS A 36 2.714 -12.552 7.424 1.00 63.21 H new ATOM 0 HD3 LYS A 36 3.266 -13.898 8.400 1.00 63.21 H new ATOM 0 HE2 LYS A 36 2.733 -15.065 6.494 1.00 13.24 H new ATOM 0 HE3 LYS A 36 1.166 -15.125 7.277 1.00 13.24 H new ATOM 0 HZ1 LYS A 36 1.296 -14.368 4.847 1.00 11.12 H new ATOM 0 HZ2 LYS A 36 0.315 -13.474 5.906 1.00 11.12 H new ATOM 0 HZ3 LYS A 36 1.846 -12.885 5.466 1.00 11.12 H new ATOM 427 N VAL A 37 -2.695 -10.915 8.531 1.00 25.42 N ATOM 428 CA VAL A 37 -3.663 -9.983 7.963 1.00 74.43 C ATOM 429 C VAL A 37 -4.113 -8.959 8.998 1.00 55.41 C ATOM 430 O VAL A 37 -3.896 -7.758 8.833 1.00 34.14 O ATOM 431 CB VAL A 37 -4.898 -10.723 7.418 1.00 34.33 C ATOM 432 CG1 VAL A 37 -5.909 -9.734 6.859 1.00 11.13 C ATOM 433 CG2 VAL A 37 -4.490 -11.735 6.358 1.00 73.44 C ATOM 0 H VAL A 37 -3.015 -11.882 8.574 1.00 25.42 H new ATOM 0 HA VAL A 37 -3.164 -9.469 7.142 1.00 74.43 H new ATOM 0 HB VAL A 37 -5.368 -11.262 8.241 1.00 34.33 H new ATOM 0 HG11 VAL A 37 -6.775 -10.275 6.478 1.00 11.13 H new ATOM 0 HG12 VAL A 37 -6.225 -9.052 7.648 1.00 11.13 H new ATOM 0 HG13 VAL A 37 -5.452 -9.165 6.049 1.00 11.13 H new ATOM 0 HG21 VAL A 37 -5.376 -12.248 5.985 1.00 73.44 H new ATOM 0 HG22 VAL A 37 -3.995 -11.220 5.535 1.00 73.44 H new ATOM 0 HG23 VAL A 37 -3.806 -12.463 6.794 1.00 73.44 H new ATOM 443 N PHE A 38 -4.740 -9.440 10.065 1.00 35.23 N ATOM 444 CA PHE A 38 -5.221 -8.565 11.128 1.00 24.31 C ATOM 445 C PHE A 38 -4.063 -8.065 11.987 1.00 41.43 C ATOM 446 O PHE A 38 -4.206 -7.103 12.743 1.00 64.14 O ATOM 447 CB PHE A 38 -6.238 -9.302 12.003 1.00 35.21 C ATOM 448 CG PHE A 38 -6.730 -8.489 13.166 1.00 2.41 C ATOM 449 CD1 PHE A 38 -6.093 -8.556 14.394 1.00 54.14 C ATOM 450 CD2 PHE A 38 -7.828 -7.656 13.031 1.00 23.13 C ATOM 451 CE1 PHE A 38 -6.542 -7.809 15.466 1.00 44.12 C ATOM 452 CE2 PHE A 38 -8.282 -6.906 14.099 1.00 32.11 C ATOM 453 CZ PHE A 38 -7.639 -6.983 15.319 1.00 3.24 C ATOM 0 H PHE A 38 -4.927 -10.431 10.217 1.00 35.23 H new ATOM 0 HA PHE A 38 -5.705 -7.705 10.665 1.00 24.31 H new ATOM 0 HB2 PHE A 38 -7.089 -9.594 11.388 1.00 35.21 H new ATOM 0 HB3 PHE A 38 -5.785 -10.220 12.378 1.00 35.21 H new ATOM 0 HD1 PHE A 38 -5.235 -9.200 14.515 1.00 54.14 H new ATOM 0 HD2 PHE A 38 -8.335 -7.592 12.080 1.00 23.13 H new ATOM 0 HE1 PHE A 38 -6.036 -7.871 16.418 1.00 44.12 H new ATOM 0 HE2 PHE A 38 -9.139 -6.260 13.980 1.00 32.11 H new ATOM 0 HZ PHE A 38 -7.993 -6.399 16.156 1.00 3.24 H new ATOM 463 N LYS A 39 -2.917 -8.725 11.867 1.00 74.23 N ATOM 464 CA LYS A 39 -1.732 -8.349 12.630 1.00 2.32 C ATOM 465 C LYS A 39 -1.437 -6.860 12.476 1.00 50.00 C ATOM 466 O LYS A 39 -1.013 -6.201 13.426 1.00 52.52 O ATOM 467 CB LYS A 39 -0.524 -9.170 12.174 1.00 1.04 C ATOM 468 CG LYS A 39 -0.317 -10.444 12.975 1.00 51.34 C ATOM 469 CD LYS A 39 0.501 -10.187 14.228 1.00 35.04 C ATOM 470 CE LYS A 39 1.987 -10.388 13.974 1.00 22.10 C ATOM 471 NZ LYS A 39 2.797 -10.152 15.202 1.00 62.01 N1+ ATOM 0 H LYS A 39 -2.783 -9.524 11.248 1.00 74.23 H new ATOM 0 HA LYS A 39 -1.927 -8.556 13.682 1.00 2.32 H new ATOM 0 HB2 LYS A 39 -0.647 -9.428 11.122 1.00 1.04 H new ATOM 0 HB3 LYS A 39 0.372 -8.554 12.249 1.00 1.04 H new ATOM 0 HG2 LYS A 39 -1.285 -10.863 13.251 1.00 51.34 H new ATOM 0 HG3 LYS A 39 0.187 -11.186 12.356 1.00 51.34 H new ATOM 0 HD2 LYS A 39 0.325 -9.169 14.577 1.00 35.04 H new ATOM 0 HD3 LYS A 39 0.173 -10.857 15.022 1.00 35.04 H new ATOM 0 HE2 LYS A 39 2.160 -11.402 13.614 1.00 22.10 H new ATOM 0 HE3 LYS A 39 2.316 -9.710 13.186 1.00 22.10 H new ATOM 0 HZ1 LYS A 39 3.804 -10.299 14.987 1.00 62.01 H new ATOM 0 HZ2 LYS A 39 2.652 -9.176 15.531 1.00 62.01 H new ATOM 0 HZ3 LYS A 39 2.501 -10.816 15.946 1.00 62.01 H new ATOM 485 N GLN A 40 -1.663 -6.338 11.275 1.00 32.35 N ATOM 486 CA GLN A 40 -1.422 -4.926 10.999 1.00 4.23 C ATOM 487 C GLN A 40 -2.597 -4.072 11.462 1.00 53.21 C ATOM 488 O GLN A 40 -2.437 -2.888 11.759 1.00 32.43 O ATOM 489 CB GLN A 40 -1.177 -4.713 9.504 1.00 54.41 C ATOM 490 CG GLN A 40 -1.130 -3.248 9.100 1.00 72.24 C ATOM 491 CD GLN A 40 -2.487 -2.713 8.685 1.00 34.41 C ATOM 492 OE1 GLN A 40 -3.129 -3.247 7.781 1.00 60.23 O ATOM 493 NE2 GLN A 40 -2.932 -1.651 9.349 1.00 3.43 N ATOM 0 H GLN A 40 -2.012 -6.870 10.478 1.00 32.35 H new ATOM 0 HA GLN A 40 -0.535 -4.619 11.553 1.00 4.23 H new ATOM 0 HB2 GLN A 40 -0.236 -5.189 9.227 1.00 54.41 H new ATOM 0 HB3 GLN A 40 -1.965 -5.212 8.940 1.00 54.41 H new ATOM 0 HG2 GLN A 40 -0.750 -2.657 9.934 1.00 72.24 H new ATOM 0 HG3 GLN A 40 -0.428 -3.125 8.276 1.00 72.24 H new ATOM 0 HE21 GLN A 40 -2.366 -1.240 10.092 1.00 3.43 H new ATOM 0 HE22 GLN A 40 -3.839 -1.247 9.116 1.00 3.43 H new ATOM 502 N TYR A 41 -3.776 -4.679 11.520 1.00 25.44 N ATOM 503 CA TYR A 41 -4.980 -3.972 11.944 1.00 72.32 C ATOM 504 C TYR A 41 -4.935 -3.668 13.439 1.00 14.54 C ATOM 505 O TYR A 41 -5.311 -2.581 13.874 1.00 1.03 O ATOM 506 CB TYR A 41 -6.224 -4.799 11.616 1.00 72.12 C ATOM 507 CG TYR A 41 -7.411 -3.965 11.193 1.00 71.14 C ATOM 508 CD1 TYR A 41 -7.304 -3.044 10.158 1.00 15.35 C ATOM 509 CD2 TYR A 41 -8.640 -4.097 11.828 1.00 34.44 C ATOM 510 CE1 TYR A 41 -8.386 -2.279 9.767 1.00 30.10 C ATOM 511 CE2 TYR A 41 -9.728 -3.336 11.443 1.00 72.32 C ATOM 512 CZ TYR A 41 -9.596 -2.430 10.413 1.00 60.12 C ATOM 513 OH TYR A 41 -10.676 -1.670 10.027 1.00 61.42 O ATOM 0 H TYR A 41 -3.925 -5.659 11.279 1.00 25.44 H new ATOM 0 HA TYR A 41 -5.027 -3.028 11.402 1.00 72.32 H new ATOM 0 HB2 TYR A 41 -5.983 -5.503 10.819 1.00 72.12 H new ATOM 0 HB3 TYR A 41 -6.498 -5.389 12.490 1.00 72.12 H new ATOM 0 HD1 TYR A 41 -6.358 -2.924 9.650 1.00 15.35 H new ATOM 0 HD2 TYR A 41 -8.747 -4.806 12.636 1.00 34.44 H new ATOM 0 HE1 TYR A 41 -8.285 -1.567 8.961 1.00 30.10 H new ATOM 0 HE2 TYR A 41 -10.676 -3.451 11.947 1.00 72.32 H new ATOM 0 HH TYR A 41 -11.451 -1.898 10.581 1.00 61.42 H new ATOM 523 N ALA A 42 -4.472 -4.640 14.219 1.00 31.04 N ATOM 524 CA ALA A 42 -4.375 -4.477 15.664 1.00 73.21 C ATOM 525 C ALA A 42 -3.306 -3.454 16.031 1.00 75.04 C ATOM 526 O ALA A 42 -3.375 -2.820 17.084 1.00 23.53 O ATOM 527 CB ALA A 42 -4.078 -5.814 16.327 1.00 0.44 C ATOM 0 H ALA A 42 -4.159 -5.547 13.874 1.00 31.04 H new ATOM 0 HA ALA A 42 -5.334 -4.108 16.028 1.00 73.21 H new ATOM 0 HB1 ALA A 42 -4.008 -5.677 17.406 1.00 0.44 H new ATOM 0 HB2 ALA A 42 -4.879 -6.518 16.101 1.00 0.44 H new ATOM 0 HB3 ALA A 42 -3.134 -6.206 15.949 1.00 0.44 H new ATOM 533 N ASN A 43 -2.318 -3.297 15.156 1.00 42.45 N ATOM 534 CA ASN A 43 -1.233 -2.351 15.390 1.00 74.54 C ATOM 535 C ASN A 43 -1.727 -0.914 15.260 1.00 3.41 C ATOM 536 O ASN A 43 -1.660 -0.135 16.211 1.00 30.41 O ATOM 537 CB ASN A 43 -0.090 -2.600 14.403 1.00 54.45 C ATOM 538 CG ASN A 43 1.202 -1.935 14.835 1.00 54.11 C ATOM 539 OD1 ASN A 43 1.490 -0.801 14.450 1.00 42.02 O ATOM 540 ND2 ASN A 43 1.990 -2.639 15.640 1.00 51.44 N ATOM 0 H ASN A 43 -2.246 -3.812 14.279 1.00 42.45 H new ATOM 0 HA ASN A 43 -0.867 -2.500 16.406 1.00 74.54 H new ATOM 0 HB2 ASN A 43 0.073 -3.673 14.303 1.00 54.45 H new ATOM 0 HB3 ASN A 43 -0.376 -2.228 13.419 1.00 54.45 H new ATOM 0 HD21 ASN A 43 2.873 -2.243 15.964 1.00 51.44 H new ATOM 0 HD22 ASN A 43 1.712 -3.575 15.935 1.00 51.44 H new ATOM 547 N ASP A 44 -2.224 -0.569 14.077 1.00 5.30 N ATOM 548 CA ASP A 44 -2.731 0.774 13.822 1.00 32.04 C ATOM 549 C ASP A 44 -3.831 1.136 14.815 1.00 73.23 C ATOM 550 O ASP A 44 -3.961 2.292 15.218 1.00 40.51 O ATOM 551 CB ASP A 44 -3.264 0.879 12.392 1.00 34.12 C ATOM 552 CG ASP A 44 -4.682 0.359 12.263 1.00 41.22 C ATOM 553 OD1 ASP A 44 -5.619 1.089 12.649 1.00 52.11 O ATOM 554 OD2 ASP A 44 -4.855 -0.776 11.774 1.00 14.33 O1- ATOM 0 H ASP A 44 -2.286 -1.201 13.279 1.00 5.30 H new ATOM 0 HA ASP A 44 -1.907 1.476 13.946 1.00 32.04 H new ATOM 0 HB2 ASP A 44 -3.231 1.920 12.071 1.00 34.12 H new ATOM 0 HB3 ASP A 44 -2.612 0.318 11.722 1.00 34.12 H new ATOM 559 N ASN A 45 -4.621 0.141 15.205 1.00 12.44 N ATOM 560 CA ASN A 45 -5.710 0.356 16.149 1.00 4.43 C ATOM 561 C ASN A 45 -5.184 0.435 17.579 1.00 2.54 C ATOM 562 O ASN A 45 -5.847 0.969 18.467 1.00 51.11 O ATOM 563 CB ASN A 45 -6.741 -0.770 16.036 1.00 32.43 C ATOM 564 CG ASN A 45 -7.785 -0.493 14.972 1.00 4.13 C ATOM 565 OD1 ASN A 45 -8.673 0.341 15.159 1.00 3.15 O ATOM 566 ND2 ASN A 45 -7.684 -1.191 13.848 1.00 1.22 N ATOM 0 H ASN A 45 -4.527 -0.822 14.882 1.00 12.44 H new ATOM 0 HA ASN A 45 -6.188 1.304 15.903 1.00 4.43 H new ATOM 0 HB2 ASN A 45 -6.230 -1.705 15.805 1.00 32.43 H new ATOM 0 HB3 ASN A 45 -7.234 -0.905 16.999 1.00 32.43 H new ATOM 0 HD21 ASN A 45 -8.358 -1.047 13.096 1.00 1.22 H new ATOM 0 HD22 ASN A 45 -6.932 -1.871 13.736 1.00 1.22 H new ATOM 573 N GLY A 46 -3.986 -0.100 17.794 1.00 12.14 N ATOM 574 CA GLY A 46 -3.389 -0.080 19.116 1.00 34.23 C ATOM 575 C GLY A 46 -3.652 -1.355 19.891 1.00 14.22 C ATOM 576 O GLY A 46 -2.985 -1.634 20.888 1.00 44.23 O ATOM 0 H GLY A 46 -3.418 -0.547 17.075 1.00 12.14 H new ATOM 0 HA2 GLY A 46 -2.313 0.069 19.023 1.00 34.23 H new ATOM 0 HA3 GLY A 46 -3.782 0.769 19.676 1.00 34.23 H new ATOM 580 N LEU A 47 -4.628 -2.133 19.434 1.00 61.12 N ATOM 581 CA LEU A 47 -4.980 -3.386 20.092 1.00 50.34 C ATOM 582 C LEU A 47 -3.836 -4.390 19.998 1.00 21.24 C ATOM 583 O LEU A 47 -3.335 -4.676 18.910 1.00 61.41 O ATOM 584 CB LEU A 47 -6.245 -3.976 19.466 1.00 63.31 C ATOM 585 CG LEU A 47 -7.113 -4.834 20.388 1.00 52.14 C ATOM 586 CD1 LEU A 47 -6.347 -6.063 20.851 1.00 74.31 C ATOM 587 CD2 LEU A 47 -7.590 -4.019 21.581 1.00 23.14 C ATOM 0 H LEU A 47 -5.189 -1.918 18.610 1.00 61.12 H new ATOM 0 HA LEU A 47 -5.168 -3.175 21.145 1.00 50.34 H new ATOM 0 HB2 LEU A 47 -6.854 -3.156 19.086 1.00 63.31 H new ATOM 0 HB3 LEU A 47 -5.953 -4.581 18.608 1.00 63.31 H new ATOM 0 HG LEU A 47 -7.987 -5.166 19.828 1.00 52.14 H new ATOM 0 HD11 LEU A 47 -6.980 -6.661 21.506 1.00 74.31 H new ATOM 0 HD12 LEU A 47 -6.056 -6.658 19.985 1.00 74.31 H new ATOM 0 HD13 LEU A 47 -5.455 -5.752 21.394 1.00 74.31 H new ATOM 0 HD21 LEU A 47 -8.206 -4.645 22.226 1.00 23.14 H new ATOM 0 HD22 LEU A 47 -6.729 -3.657 22.142 1.00 23.14 H new ATOM 0 HD23 LEU A 47 -8.178 -3.170 21.230 1.00 23.14 H new ATOM 599 N ASP A 48 -3.426 -4.922 21.145 1.00 41.50 N ATOM 600 CA ASP A 48 -2.343 -5.897 21.192 1.00 71.25 C ATOM 601 C ASP A 48 -2.542 -6.874 22.347 1.00 33.24 C ATOM 602 O ASP A 48 -2.447 -6.499 23.515 1.00 23.12 O ATOM 603 CB ASP A 48 -0.996 -5.188 21.333 1.00 32.02 C ATOM 604 CG ASP A 48 -0.948 -4.271 22.540 1.00 43.31 C ATOM 605 OD1 ASP A 48 -1.328 -3.088 22.403 1.00 51.05 O ATOM 606 OD2 ASP A 48 -0.532 -4.736 23.621 1.00 20.21 O1- ATOM 0 H ASP A 48 -3.828 -4.694 22.054 1.00 41.50 H new ATOM 0 HA ASP A 48 -2.352 -6.459 20.258 1.00 71.25 H new ATOM 0 HB2 ASP A 48 -0.204 -5.932 21.414 1.00 32.02 H new ATOM 0 HB3 ASP A 48 -0.798 -4.608 20.432 1.00 32.02 H new ATOM 611 N GLY A 49 -2.818 -8.131 22.011 1.00 72.11 N ATOM 612 CA GLY A 49 -3.026 -9.142 23.031 1.00 24.54 C ATOM 613 C GLY A 49 -2.488 -10.498 22.621 1.00 64.54 C ATOM 614 O GLY A 49 -1.581 -10.589 21.795 1.00 62.11 O ATOM 0 H GLY A 49 -2.901 -8.467 21.051 1.00 72.11 H new ATOM 0 HA2 GLY A 49 -2.541 -8.827 23.955 1.00 24.54 H new ATOM 0 HA3 GLY A 49 -4.092 -9.226 23.243 1.00 24.54 H new ATOM 618 N GLU A 50 -3.047 -11.556 23.202 1.00 52.02 N ATOM 619 CA GLU A 50 -2.615 -12.913 22.893 1.00 15.21 C ATOM 620 C GLU A 50 -3.424 -13.492 21.736 1.00 31.01 C ATOM 621 O GLU A 50 -4.633 -13.283 21.645 1.00 61.11 O ATOM 622 CB GLU A 50 -2.755 -13.810 24.126 1.00 44.30 C ATOM 623 CG GLU A 50 -2.267 -15.231 23.904 1.00 60.44 C ATOM 624 CD GLU A 50 -0.861 -15.284 23.339 1.00 1.31 C ATOM 625 OE1 GLU A 50 0.038 -14.649 23.929 1.00 3.43 O ATOM 626 OE2 GLU A 50 -0.659 -15.961 22.310 1.00 43.11 O1- ATOM 0 H GLU A 50 -3.799 -11.498 23.888 1.00 52.02 H new ATOM 0 HA GLU A 50 -1.567 -12.874 22.597 1.00 15.21 H new ATOM 0 HB2 GLU A 50 -2.197 -13.368 24.951 1.00 44.30 H new ATOM 0 HB3 GLU A 50 -3.802 -13.837 24.428 1.00 44.30 H new ATOM 0 HG2 GLU A 50 -2.295 -15.773 24.850 1.00 60.44 H new ATOM 0 HG3 GLU A 50 -2.947 -15.743 23.223 1.00 60.44 H new ATOM 633 N TRP A 51 -2.747 -14.219 20.855 1.00 22.25 N ATOM 634 CA TRP A 51 -3.402 -14.828 19.703 1.00 3.53 C ATOM 635 C TRP A 51 -3.839 -16.254 20.015 1.00 52.30 C ATOM 636 O TRP A 51 -3.178 -16.966 20.773 1.00 43.35 O ATOM 637 CB TRP A 51 -2.463 -14.822 18.495 1.00 70.20 C ATOM 638 CG TRP A 51 -2.183 -13.447 17.967 1.00 11.21 C ATOM 639 CD1 TRP A 51 -1.322 -12.527 18.493 1.00 21.04 C ATOM 640 CD2 TRP A 51 -2.768 -12.837 16.811 1.00 24.13 C ATOM 641 NE1 TRP A 51 -1.336 -11.382 17.734 1.00 12.23 N ATOM 642 CE2 TRP A 51 -2.215 -11.548 16.696 1.00 72.44 C ATOM 643 CE3 TRP A 51 -3.703 -13.256 15.861 1.00 41.00 C ATOM 644 CZ2 TRP A 51 -2.568 -10.675 15.670 1.00 5.32 C ATOM 645 CZ3 TRP A 51 -4.053 -12.389 14.844 1.00 73.12 C ATOM 646 CH2 TRP A 51 -3.486 -11.111 14.753 1.00 32.25 C ATOM 0 H TRP A 51 -1.745 -14.401 20.916 1.00 22.25 H new ATOM 0 HA TRP A 51 -4.289 -14.240 19.468 1.00 3.53 H new ATOM 0 HB2 TRP A 51 -1.521 -15.295 18.773 1.00 70.20 H new ATOM 0 HB3 TRP A 51 -2.901 -15.426 17.701 1.00 70.20 H new ATOM 0 HD1 TRP A 51 -0.719 -12.677 19.376 1.00 21.04 H new ATOM 0 HE1 TRP A 51 -0.782 -10.545 17.914 1.00 12.23 H new ATOM 0 HE3 TRP A 51 -4.144 -14.240 15.921 1.00 41.00 H new ATOM 0 HZ2 TRP A 51 -2.133 -9.689 15.600 1.00 5.32 H new ATOM 0 HZ3 TRP A 51 -4.777 -12.702 14.106 1.00 73.12 H new ATOM 0 HH2 TRP A 51 -3.779 -10.458 13.944 1.00 32.25 H new ATOM 657 N THR A 52 -4.957 -16.669 19.429 1.00 25.31 N ATOM 658 CA THR A 52 -5.483 -18.011 19.645 1.00 32.12 C ATOM 659 C THR A 52 -5.547 -18.794 18.339 1.00 23.50 C ATOM 660 O THR A 52 -5.850 -18.237 17.284 1.00 42.31 O ATOM 661 CB THR A 52 -6.887 -17.970 20.276 1.00 43.23 C ATOM 662 OG1 THR A 52 -7.849 -17.552 19.301 1.00 31.45 O ATOM 663 CG2 THR A 52 -6.919 -17.022 21.466 1.00 51.40 C ATOM 0 H THR A 52 -5.517 -16.094 18.800 1.00 25.31 H new ATOM 0 HA THR A 52 -4.799 -18.511 20.331 1.00 32.12 H new ATOM 0 HB THR A 52 -7.134 -18.973 20.624 1.00 43.23 H new ATOM 0 HG1 THR A 52 -8.669 -18.079 19.404 1.00 31.45 H new ATOM 0 HG21 THR A 52 -7.921 -17.010 21.895 1.00 51.40 H new ATOM 0 HG22 THR A 52 -6.206 -17.359 22.219 1.00 51.40 H new ATOM 0 HG23 THR A 52 -6.653 -16.017 21.138 1.00 51.40 H new ATOM 671 N TYR A 53 -5.261 -20.090 18.417 1.00 31.12 N ATOM 672 CA TYR A 53 -5.285 -20.949 17.239 1.00 61.23 C ATOM 673 C TYR A 53 -5.857 -22.322 17.579 1.00 61.54 C ATOM 674 O TYR A 53 -5.460 -22.947 18.563 1.00 61.35 O ATOM 675 CB TYR A 53 -3.877 -21.100 16.664 1.00 72.30 C ATOM 676 CG TYR A 53 -3.825 -21.925 15.397 1.00 22.11 C ATOM 677 CD1 TYR A 53 -2.839 -22.887 15.211 1.00 3.50 C ATOM 678 CD2 TYR A 53 -4.762 -21.743 14.386 1.00 13.20 C ATOM 679 CE1 TYR A 53 -2.788 -23.642 14.055 1.00 0.53 C ATOM 680 CE2 TYR A 53 -4.719 -22.495 13.229 1.00 32.52 C ATOM 681 CZ TYR A 53 -3.730 -23.443 13.068 1.00 34.41 C ATOM 682 OH TYR A 53 -3.683 -24.193 11.915 1.00 61.53 O ATOM 0 H TYR A 53 -5.010 -20.568 19.283 1.00 31.12 H new ATOM 0 HA TYR A 53 -5.927 -20.482 16.492 1.00 61.23 H new ATOM 0 HB2 TYR A 53 -3.469 -20.110 16.460 1.00 72.30 H new ATOM 0 HB3 TYR A 53 -3.235 -21.561 17.414 1.00 72.30 H new ATOM 0 HD1 TYR A 53 -2.101 -23.047 15.983 1.00 3.50 H new ATOM 0 HD2 TYR A 53 -5.537 -21.001 14.508 1.00 13.20 H new ATOM 0 HE1 TYR A 53 -2.014 -24.384 13.925 1.00 0.53 H new ATOM 0 HE2 TYR A 53 -5.456 -22.342 12.454 1.00 32.52 H new ATOM 0 HH TYR A 53 -3.900 -25.126 12.123 1.00 61.53 H new ATOM 692 N ASP A 54 -6.793 -22.785 16.757 1.00 22.23 N ATOM 693 CA ASP A 54 -7.420 -24.084 16.967 1.00 11.23 C ATOM 694 C ASP A 54 -7.760 -24.747 15.636 1.00 75.11 C ATOM 695 O ASP A 54 -8.520 -24.202 14.836 1.00 25.21 O ATOM 696 CB ASP A 54 -8.687 -23.933 17.812 1.00 12.50 C ATOM 697 CG ASP A 54 -8.399 -23.369 19.191 1.00 24.30 C ATOM 698 OD1 ASP A 54 -8.465 -22.132 19.351 1.00 51.42 O ATOM 699 OD2 ASP A 54 -8.108 -24.165 20.108 1.00 52.31 O1- ATOM 0 H ASP A 54 -7.134 -22.280 15.939 1.00 22.23 H new ATOM 0 HA ASP A 54 -6.711 -24.719 17.498 1.00 11.23 H new ATOM 0 HB2 ASP A 54 -9.390 -23.280 17.295 1.00 12.50 H new ATOM 0 HB3 ASP A 54 -9.171 -24.905 17.914 1.00 12.50 H new ATOM 704 N ASP A 55 -7.189 -25.924 15.404 1.00 61.14 N ATOM 705 CA ASP A 55 -7.431 -26.661 14.169 1.00 15.41 C ATOM 706 C ASP A 55 -8.765 -27.395 14.226 1.00 54.22 C ATOM 707 O ASP A 55 -9.396 -27.640 13.197 1.00 53.13 O ATOM 708 CB ASP A 55 -6.297 -27.656 13.914 1.00 72.40 C ATOM 709 CG ASP A 55 -5.515 -27.334 12.656 1.00 40.24 C ATOM 710 OD1 ASP A 55 -6.064 -27.528 11.550 1.00 60.04 O ATOM 711 OD2 ASP A 55 -4.356 -26.887 12.776 1.00 31.01 O1- ATOM 0 H ASP A 55 -6.555 -26.388 16.055 1.00 61.14 H new ATOM 0 HA ASP A 55 -7.467 -25.944 13.348 1.00 15.41 H new ATOM 0 HB2 ASP A 55 -5.620 -27.658 14.768 1.00 72.40 H new ATOM 0 HB3 ASP A 55 -6.711 -28.661 13.833 1.00 72.40 H new ATOM 716 N ALA A 56 -9.192 -27.744 15.436 1.00 41.02 N ATOM 717 CA ALA A 56 -10.452 -28.450 15.628 1.00 35.42 C ATOM 718 C ALA A 56 -11.629 -27.615 15.134 1.00 70.40 C ATOM 719 O ALA A 56 -12.485 -28.104 14.395 1.00 45.11 O ATOM 720 CB ALA A 56 -10.638 -28.811 17.094 1.00 42.53 C ATOM 0 H ALA A 56 -8.683 -27.549 16.298 1.00 41.02 H new ATOM 0 HA ALA A 56 -10.418 -29.368 15.041 1.00 35.42 H new ATOM 0 HB1 ALA A 56 -11.584 -29.338 17.222 1.00 42.53 H new ATOM 0 HB2 ALA A 56 -9.818 -29.453 17.418 1.00 42.53 H new ATOM 0 HB3 ALA A 56 -10.645 -27.901 17.695 1.00 42.53 H new ATOM 726 N THR A 57 -11.668 -26.352 15.547 1.00 30.04 N ATOM 727 CA THR A 57 -12.741 -25.450 15.148 1.00 23.02 C ATOM 728 C THR A 57 -12.332 -24.606 13.946 1.00 43.21 C ATOM 729 O THR A 57 -13.180 -24.078 13.228 1.00 51.43 O ATOM 730 CB THR A 57 -13.146 -24.514 16.304 1.00 64.35 C ATOM 731 OG1 THR A 57 -14.171 -23.615 15.868 1.00 15.34 O ATOM 732 CG2 THR A 57 -11.948 -23.721 16.804 1.00 2.22 C ATOM 0 H THR A 57 -10.968 -25.931 16.158 1.00 30.04 H new ATOM 0 HA THR A 57 -13.594 -26.073 14.878 1.00 23.02 H new ATOM 0 HB THR A 57 -13.523 -25.126 17.123 1.00 64.35 H new ATOM 0 HG1 THR A 57 -13.763 -22.856 15.402 1.00 15.34 H new ATOM 0 HG21 THR A 57 -12.259 -23.068 17.619 1.00 2.22 H new ATOM 0 HG22 THR A 57 -11.181 -24.408 17.161 1.00 2.22 H new ATOM 0 HG23 THR A 57 -11.545 -23.118 15.990 1.00 2.22 H new ATOM 740 N LYS A 58 -11.026 -24.485 13.732 1.00 5.52 N ATOM 741 CA LYS A 58 -10.503 -23.707 12.615 1.00 43.24 C ATOM 742 C LYS A 58 -10.944 -22.250 12.712 1.00 1.52 C ATOM 743 O LYS A 58 -11.449 -21.677 11.747 1.00 61.54 O ATOM 744 CB LYS A 58 -10.972 -24.305 11.286 1.00 22.53 C ATOM 745 CG LYS A 58 -10.620 -25.773 11.122 1.00 4.02 C ATOM 746 CD LYS A 58 -11.693 -26.673 11.710 1.00 42.13 C ATOM 747 CE LYS A 58 -11.600 -28.086 11.154 1.00 42.34 C ATOM 748 NZ LYS A 58 -12.056 -28.156 9.739 1.00 70.32 N1+ ATOM 0 H LYS A 58 -10.310 -24.916 14.317 1.00 5.52 H new ATOM 0 HA LYS A 58 -9.414 -23.742 12.659 1.00 43.24 H new ATOM 0 HB2 LYS A 58 -12.053 -24.188 11.206 1.00 22.53 H new ATOM 0 HB3 LYS A 58 -10.528 -23.740 10.466 1.00 22.53 H new ATOM 0 HG2 LYS A 58 -10.492 -26.001 10.064 1.00 4.02 H new ATOM 0 HG3 LYS A 58 -9.666 -25.976 11.609 1.00 4.02 H new ATOM 0 HD2 LYS A 58 -11.592 -26.700 12.795 1.00 42.13 H new ATOM 0 HD3 LYS A 58 -12.677 -26.259 11.491 1.00 42.13 H new ATOM 0 HE2 LYS A 58 -10.570 -28.436 11.221 1.00 42.34 H new ATOM 0 HE3 LYS A 58 -12.205 -28.757 11.764 1.00 42.34 H new ATOM 0 HZ1 LYS A 58 -12.220 -29.149 9.476 1.00 70.32 H new ATOM 0 HZ2 LYS A 58 -12.940 -27.619 9.632 1.00 70.32 H new ATOM 0 HZ3 LYS A 58 -11.327 -27.750 9.119 1.00 70.32 H new ATOM 762 N THR A 59 -10.746 -21.654 13.885 1.00 13.45 N ATOM 763 CA THR A 59 -11.123 -20.265 14.109 1.00 21.01 C ATOM 764 C THR A 59 -10.024 -19.509 14.848 1.00 11.23 C ATOM 765 O THR A 59 -9.285 -20.090 15.642 1.00 63.41 O ATOM 766 CB THR A 59 -12.433 -20.159 14.913 1.00 70.22 C ATOM 767 OG1 THR A 59 -13.388 -21.105 14.419 1.00 72.43 O ATOM 768 CG2 THR A 59 -13.011 -18.755 14.825 1.00 64.22 C ATOM 0 H THR A 59 -10.327 -22.113 14.694 1.00 13.45 H new ATOM 0 HA THR A 59 -11.272 -19.817 13.127 1.00 21.01 H new ATOM 0 HB THR A 59 -12.211 -20.378 15.957 1.00 70.22 H new ATOM 0 HG1 THR A 59 -14.233 -21.000 14.904 1.00 72.43 H new ATOM 0 HG21 THR A 59 -13.935 -18.705 15.400 1.00 64.22 H new ATOM 0 HG22 THR A 59 -12.294 -18.040 15.228 1.00 64.22 H new ATOM 0 HG23 THR A 59 -13.219 -18.512 13.783 1.00 64.22 H new ATOM 776 N PHE A 60 -9.923 -18.211 14.581 1.00 40.21 N ATOM 777 CA PHE A 60 -8.914 -17.376 15.221 1.00 72.32 C ATOM 778 C PHE A 60 -9.561 -16.376 16.176 1.00 20.51 C ATOM 779 O PHE A 60 -10.706 -15.966 15.982 1.00 43.12 O ATOM 780 CB PHE A 60 -8.092 -16.633 14.166 1.00 21.54 C ATOM 781 CG PHE A 60 -6.954 -17.441 13.614 1.00 54.41 C ATOM 782 CD1 PHE A 60 -7.189 -18.651 12.980 1.00 24.42 C ATOM 783 CD2 PHE A 60 -5.648 -16.992 13.729 1.00 32.55 C ATOM 784 CE1 PHE A 60 -6.143 -19.398 12.471 1.00 25.12 C ATOM 785 CE2 PHE A 60 -4.598 -17.734 13.221 1.00 70.10 C ATOM 786 CZ PHE A 60 -4.846 -18.939 12.592 1.00 54.13 C ATOM 0 H PHE A 60 -10.528 -17.715 13.926 1.00 40.21 H new ATOM 0 HA PHE A 60 -8.253 -18.025 15.796 1.00 72.32 H new ATOM 0 HB2 PHE A 60 -8.748 -16.338 13.347 1.00 21.54 H new ATOM 0 HB3 PHE A 60 -7.697 -15.716 14.604 1.00 21.54 H new ATOM 0 HD1 PHE A 60 -8.201 -19.015 12.882 1.00 24.42 H new ATOM 0 HD2 PHE A 60 -5.448 -16.052 14.221 1.00 32.55 H new ATOM 0 HE1 PHE A 60 -6.340 -20.339 11.979 1.00 25.12 H new ATOM 0 HE2 PHE A 60 -3.585 -17.372 13.316 1.00 70.10 H new ATOM 0 HZ PHE A 60 -4.027 -19.521 12.196 1.00 54.13 H new ATOM 796 N THR A 61 -8.819 -15.987 17.208 1.00 13.13 N ATOM 797 CA THR A 61 -9.319 -15.038 18.194 1.00 24.22 C ATOM 798 C THR A 61 -8.177 -14.254 18.831 1.00 31.40 C ATOM 799 O THR A 61 -7.009 -14.614 18.688 1.00 13.31 O ATOM 800 CB THR A 61 -10.120 -15.746 19.302 1.00 2.14 C ATOM 801 OG1 THR A 61 -10.745 -16.923 18.778 1.00 63.12 O ATOM 802 CG2 THR A 61 -11.177 -14.821 19.882 1.00 33.02 C ATOM 0 H THR A 61 -7.869 -16.315 17.382 1.00 13.13 H new ATOM 0 HA THR A 61 -9.978 -14.350 17.663 1.00 24.22 H new ATOM 0 HB THR A 61 -9.429 -16.025 20.097 1.00 2.14 H new ATOM 0 HG1 THR A 61 -11.251 -17.369 19.489 1.00 63.12 H new ATOM 0 HG21 THR A 61 -11.729 -15.344 20.663 1.00 33.02 H new ATOM 0 HG22 THR A 61 -10.696 -13.940 20.306 1.00 33.02 H new ATOM 0 HG23 THR A 61 -11.865 -14.515 19.094 1.00 33.02 H new ATOM 810 N ILE A 62 -8.523 -13.181 19.535 1.00 1.52 N ATOM 811 CA ILE A 62 -7.525 -12.348 20.196 1.00 70.34 C ATOM 812 C ILE A 62 -8.115 -11.646 21.413 1.00 43.52 C ATOM 813 O ILE A 62 -9.116 -10.935 21.311 1.00 0.25 O ATOM 814 CB ILE A 62 -6.950 -11.289 19.235 1.00 1.43 C ATOM 815 CG1 ILE A 62 -5.930 -10.411 19.961 1.00 62.02 C ATOM 816 CG2 ILE A 62 -8.069 -10.440 18.652 1.00 21.42 C ATOM 817 CD1 ILE A 62 -5.251 -9.402 19.061 1.00 54.41 C ATOM 0 H ILE A 62 -9.486 -12.868 19.662 1.00 1.52 H new ATOM 0 HA ILE A 62 -6.721 -13.011 20.516 1.00 70.34 H new ATOM 0 HB ILE A 62 -6.444 -11.799 18.416 1.00 1.43 H new ATOM 0 HG12 ILE A 62 -6.430 -9.883 20.773 1.00 62.02 H new ATOM 0 HG13 ILE A 62 -5.172 -11.049 20.415 1.00 62.02 H new ATOM 0 HG21 ILE A 62 -7.647 -9.697 17.975 1.00 21.42 H new ATOM 0 HG22 ILE A 62 -8.762 -11.078 18.104 1.00 21.42 H new ATOM 0 HG23 ILE A 62 -8.601 -9.936 19.459 1.00 21.42 H new ATOM 0 HD11 ILE A 62 -4.541 -8.815 19.643 1.00 54.41 H new ATOM 0 HD12 ILE A 62 -4.722 -9.924 18.263 1.00 54.41 H new ATOM 0 HD13 ILE A 62 -6.000 -8.740 18.627 1.00 54.41 H new ATOM 829 N THR A 63 -7.488 -11.847 22.568 1.00 50.32 N ATOM 830 CA THR A 63 -7.949 -11.232 23.807 1.00 71.11 C ATOM 831 C THR A 63 -6.946 -10.205 24.318 1.00 75.02 C ATOM 832 O THR A 63 -5.738 -10.433 24.283 1.00 71.14 O ATOM 833 CB THR A 63 -8.189 -12.289 24.902 1.00 34.12 C ATOM 834 OG1 THR A 63 -7.293 -13.391 24.724 1.00 3.13 O ATOM 835 CG2 THR A 63 -9.626 -12.786 24.869 1.00 12.23 C ATOM 0 H THR A 63 -6.659 -12.432 22.671 1.00 50.32 H new ATOM 0 HA THR A 63 -8.891 -10.733 23.581 1.00 71.11 H new ATOM 0 HB THR A 63 -8.005 -11.825 25.871 1.00 34.12 H new ATOM 0 HG1 THR A 63 -7.451 -14.057 25.425 1.00 3.13 H new ATOM 0 HG21 THR A 63 -9.771 -13.531 25.651 1.00 12.23 H new ATOM 0 HG22 THR A 63 -10.304 -11.949 25.035 1.00 12.23 H new ATOM 0 HG23 THR A 63 -9.834 -13.234 23.897 1.00 12.23 H new ATOM 843 N GLU A 64 -7.456 -9.073 24.794 1.00 0.03 N ATOM 844 CA GLU A 64 -6.603 -8.010 25.312 1.00 64.34 C ATOM 845 C GLU A 64 -6.927 -7.717 26.774 1.00 63.24 C ATOM 846 O GLU A 64 -7.924 -8.202 27.308 1.00 41.45 O ATOM 847 CB GLU A 64 -6.768 -6.740 24.477 1.00 40.12 C ATOM 848 CG GLU A 64 -5.623 -5.752 24.636 1.00 63.30 C ATOM 849 CD GLU A 64 -5.645 -5.047 25.978 1.00 22.21 C ATOM 850 OE1 GLU A 64 -6.588 -4.267 26.223 1.00 64.13 O ATOM 851 OE2 GLU A 64 -4.719 -5.275 26.785 1.00 35.24 O1- ATOM 0 H GLU A 64 -8.455 -8.869 24.831 1.00 0.03 H new ATOM 0 HA GLU A 64 -5.568 -8.346 25.247 1.00 64.34 H new ATOM 0 HB2 GLU A 64 -6.855 -7.015 23.426 1.00 40.12 H new ATOM 0 HB3 GLU A 64 -7.701 -6.250 24.757 1.00 40.12 H new ATOM 0 HG2 GLU A 64 -4.675 -6.278 24.521 1.00 63.30 H new ATOM 0 HG3 GLU A 64 -5.674 -5.010 23.839 1.00 63.30 H new