USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 639 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 41 ASN : amide:sc= 0.467 K(o=1.1,f=-1.1) USER MOD Set 1.2: A 67 THR OG1 : rot 92:sc= 0.821 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -0.236 K(o=1.1,f=-1.7) USER MOD Set 2.1: A 48 CYS SG : rot 120:sc= -0.0608 USER MOD Set 2.2: A 54 SER OG : rot 72:sc= 0.555 USER MOD Single : A 3 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.82 K(o=0.82,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.977 K(o=0.98,f=-0.017) USER MOD Single : A 17 HIS : no HE2:sc= -0.0047 K(o=-0.0047,f=-0.86) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.85 K(o=0.85,f=-1.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 179:sc= 1.21 (180deg=1.14) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.21) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.0832 USER MOD Single : A 49 ASN : amide:sc= -1.38! K(o=-1.4!,f=-0.2) USER MOD Single : A 53 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.47) USER MOD Single : A 56 GLN : amide:sc= 0.125 X(o=0.12,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00111) USER MOD Single : A 62 SER OG : rot 90:sc= 1.29 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -167:sc= 1.27 USER MOD Single : A 71 ASN : amide:sc= 1.07 K(o=1.1,f=0.02) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -178:sc= 0 (180deg=-0.00533) USER MOD Single : A 82 LYS NZ :NH3+ -172:sc= 1.96 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.479 0.653 -3.763 1.00 0.00 N ATOM 14 CA GLU A 2 0.629 1.233 -4.793 1.00 0.00 C ATOM 15 C GLU A 2 -0.371 2.181 -4.125 1.00 0.00 C ATOM 16 O GLU A 2 -0.642 2.051 -2.926 1.00 0.00 O ATOM 17 CB GLU A 2 -0.085 0.115 -5.584 1.00 0.00 C ATOM 18 CG GLU A 2 -1.138 -0.664 -4.773 1.00 0.00 C ATOM 19 CD GLU A 2 -1.634 -1.909 -5.527 1.00 0.00 C ATOM 20 OE1 GLU A 2 -2.594 -1.798 -6.324 1.00 0.00 O ATOM 21 OE2 GLU A 2 -1.070 -3.009 -5.330 1.00 0.00 O ATOM 0 HA GLU A 2 1.228 1.800 -5.505 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.568 0.555 -6.456 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.663 -0.586 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.710 -0.965 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.983 -0.012 -4.553 1.00 0.00 H new ATOM 28 N HIS A 3 -0.968 3.075 -4.913 1.00 0.00 N ATOM 29 CA HIS A 3 -2.094 3.911 -4.516 1.00 0.00 C ATOM 30 C HIS A 3 -3.009 4.029 -5.730 1.00 0.00 C ATOM 31 O HIS A 3 -2.536 4.345 -6.823 1.00 0.00 O ATOM 32 CB HIS A 3 -1.624 5.305 -4.062 1.00 0.00 C ATOM 33 CG HIS A 3 -1.044 5.336 -2.669 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.753 5.302 -1.487 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.280 5.446 -2.337 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.876 5.384 -0.472 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.384 5.477 -0.939 1.00 0.00 N ATOM 0 H HIS A 3 -0.670 3.240 -5.874 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.616 3.464 -3.670 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.875 5.671 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.467 5.994 -4.108 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.104 5.500 -3.033 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.145 5.376 0.574 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.239 5.554 -0.388 1.00 0.00 H new ATOM 45 N TRP A 4 -4.305 3.772 -5.534 1.00 0.00 N ATOM 46 CA TRP A 4 -5.328 3.946 -6.556 1.00 0.00 C ATOM 47 C TRP A 4 -5.846 5.369 -6.423 1.00 0.00 C ATOM 48 O TRP A 4 -6.427 5.724 -5.395 1.00 0.00 O ATOM 49 CB TRP A 4 -6.457 2.919 -6.375 1.00 0.00 C ATOM 50 CG TRP A 4 -6.081 1.522 -6.774 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.179 0.737 -6.142 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.536 0.744 -7.925 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.029 -0.451 -6.821 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.854 -0.512 -7.924 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.446 0.977 -8.980 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -6.068 -1.483 -8.915 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.667 0.011 -9.980 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.981 -1.217 -9.950 1.00 0.00 C ATOM 0 H TRP A 4 -4.674 3.432 -4.646 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.918 3.783 -7.553 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.768 2.916 -5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.319 3.234 -6.963 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.653 1.003 -5.237 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.387 -1.194 -6.543 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.982 1.914 -9.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.537 -2.423 -8.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.368 0.214 -10.776 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.156 -1.953 -10.720 1.00 0.00 H new ATOM 69 N ILE A 5 -5.625 6.178 -7.452 1.00 0.00 N ATOM 70 CA ILE A 5 -5.929 7.597 -7.466 1.00 0.00 C ATOM 71 C ILE A 5 -6.815 7.812 -8.690 1.00 0.00 C ATOM 72 O ILE A 5 -6.358 7.705 -9.829 1.00 0.00 O ATOM 73 CB ILE A 5 -4.605 8.399 -7.492 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.866 8.319 -6.132 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.840 9.878 -7.844 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.348 8.391 -6.291 1.00 0.00 C ATOM 0 H ILE A 5 -5.216 5.850 -8.327 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.459 7.946 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.987 7.943 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.201 9.134 -5.491 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.133 7.389 -5.630 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.887 10.406 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.302 9.949 -8.829 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.498 10.329 -7.101 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.876 8.331 -5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.007 7.560 -6.909 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.076 9.333 -6.767 1.00 0.00 H new ATOM 88 N ASP A 6 -8.100 8.068 -8.462 1.00 0.00 N ATOM 89 CA ASP A 6 -8.975 8.525 -9.530 1.00 0.00 C ATOM 90 C ASP A 6 -8.508 9.930 -9.908 1.00 0.00 C ATOM 91 O ASP A 6 -8.228 10.738 -9.015 1.00 0.00 O ATOM 92 CB ASP A 6 -10.434 8.557 -9.064 1.00 0.00 C ATOM 93 CG ASP A 6 -11.392 8.558 -10.254 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.233 9.380 -11.179 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.352 7.760 -10.259 1.00 0.00 O ATOM 0 H ASP A 6 -8.553 7.967 -7.554 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.926 7.849 -10.384 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.636 7.693 -8.431 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.605 9.445 -8.455 1.00 0.00 H new ATOM 100 N VAL A 7 -8.448 10.264 -11.191 1.00 0.00 N ATOM 101 CA VAL A 7 -8.017 11.581 -11.658 1.00 0.00 C ATOM 102 C VAL A 7 -9.141 12.313 -12.406 1.00 0.00 C ATOM 103 O VAL A 7 -8.904 13.396 -12.948 1.00 0.00 O ATOM 104 CB VAL A 7 -6.692 11.471 -12.443 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.522 11.002 -11.563 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.772 10.497 -13.620 1.00 0.00 C ATOM 0 H VAL A 7 -8.699 9.625 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.802 12.212 -10.796 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.518 12.484 -12.806 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.615 10.942 -12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.371 11.712 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.749 10.019 -11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.810 10.464 -14.131 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -7.022 9.502 -13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.542 10.830 -14.316 1.00 0.00 H new ATOM 116 N ARG A 8 -10.369 11.770 -12.426 1.00 0.00 N ATOM 117 CA ARG A 8 -11.538 12.499 -12.924 1.00 0.00 C ATOM 118 C ARG A 8 -11.766 13.765 -12.103 1.00 0.00 C ATOM 119 O ARG A 8 -11.250 13.897 -10.986 1.00 0.00 O ATOM 120 CB ARG A 8 -12.775 11.588 -13.011 1.00 0.00 C ATOM 121 CG ARG A 8 -13.606 11.427 -11.734 1.00 0.00 C ATOM 122 CD ARG A 8 -14.716 10.403 -11.992 1.00 0.00 C ATOM 123 NE ARG A 8 -14.208 9.036 -11.925 1.00 0.00 N ATOM 124 CZ ARG A 8 -14.920 7.929 -12.134 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.131 7.972 -12.691 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.367 6.781 -11.780 1.00 0.00 N ATOM 0 H ARG A 8 -10.574 10.825 -12.101 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.345 12.823 -13.947 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.427 11.975 -13.794 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.446 10.599 -13.329 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.972 11.097 -10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.037 12.384 -11.441 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.511 10.533 -11.258 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.156 10.581 -12.973 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.221 8.918 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.533 8.867 -12.968 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.655 7.110 -12.840 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.435 6.770 -11.367 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.873 5.907 -11.920 1.00 0.00 H new ATOM 140 N VAL A 9 -12.550 14.686 -12.665 1.00 0.00 N ATOM 141 CA VAL A 9 -12.865 15.948 -12.010 1.00 0.00 C ATOM 142 C VAL A 9 -13.544 15.650 -10.652 1.00 0.00 C ATOM 143 O VAL A 9 -14.250 14.641 -10.538 1.00 0.00 O ATOM 144 CB VAL A 9 -13.684 16.863 -12.950 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.842 17.271 -14.170 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.994 16.230 -13.436 1.00 0.00 C ATOM 0 H VAL A 9 -12.981 14.575 -13.583 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.958 16.512 -11.793 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.948 17.737 -12.355 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.433 17.915 -14.821 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.955 17.809 -13.836 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.540 16.379 -14.719 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.515 16.929 -14.091 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.774 15.314 -13.985 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.625 15.997 -12.579 1.00 0.00 H new ATOM 156 N PRO A 10 -13.394 16.496 -9.618 1.00 0.00 N ATOM 157 CA PRO A 10 -13.799 16.127 -8.260 1.00 0.00 C ATOM 158 C PRO A 10 -15.307 15.902 -8.136 1.00 0.00 C ATOM 159 O PRO A 10 -15.753 15.063 -7.352 1.00 0.00 O ATOM 160 CB PRO A 10 -13.310 17.267 -7.362 1.00 0.00 C ATOM 161 CG PRO A 10 -13.232 18.468 -8.306 1.00 0.00 C ATOM 162 CD PRO A 10 -12.851 17.847 -9.649 1.00 0.00 C ATOM 0 HA PRO A 10 -13.361 15.173 -7.968 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.999 17.450 -6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.339 17.041 -6.922 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.185 18.995 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.488 19.191 -7.973 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.267 18.419 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.769 17.833 -9.783 1.00 0.00 H new ATOM 170 N GLU A 11 -16.108 16.621 -8.924 1.00 0.00 N ATOM 171 CA GLU A 11 -17.559 16.482 -8.932 1.00 0.00 C ATOM 172 C GLU A 11 -17.999 15.134 -9.510 1.00 0.00 C ATOM 173 O GLU A 11 -19.081 14.664 -9.161 1.00 0.00 O ATOM 174 CB GLU A 11 -18.177 17.635 -9.735 1.00 0.00 C ATOM 175 CG GLU A 11 -18.055 18.978 -9.001 1.00 0.00 C ATOM 176 CD GLU A 11 -18.731 20.114 -9.788 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.067 20.761 -10.629 1.00 0.00 O ATOM 178 OE2 GLU A 11 -19.932 20.389 -9.561 1.00 0.00 O ATOM 0 H GLU A 11 -15.761 17.322 -9.579 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.911 16.521 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.685 17.706 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.228 17.421 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.510 18.897 -8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.002 19.216 -8.848 1.00 0.00 H new ATOM 185 N GLN A 12 -17.184 14.489 -10.358 1.00 0.00 N ATOM 186 CA GLN A 12 -17.523 13.202 -10.949 1.00 0.00 C ATOM 187 C GLN A 12 -17.095 12.092 -9.993 1.00 0.00 C ATOM 188 O GLN A 12 -17.817 11.107 -9.851 1.00 0.00 O ATOM 189 CB GLN A 12 -16.875 13.043 -12.339 1.00 0.00 C ATOM 190 CG GLN A 12 -17.622 13.835 -13.424 1.00 0.00 C ATOM 191 CD GLN A 12 -16.999 13.677 -14.817 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.026 12.954 -15.023 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.544 14.357 -15.813 1.00 0.00 N ATOM 0 H GLN A 12 -16.275 14.850 -10.648 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.601 13.140 -11.100 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.839 13.379 -12.295 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.857 11.987 -12.610 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.660 13.505 -13.457 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.631 14.891 -13.154 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.351 14.956 -15.640 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.157 14.282 -16.754 1.00 0.00 H new ATOM 202 N TYR A 13 -15.957 12.246 -9.302 1.00 0.00 N ATOM 203 CA TYR A 13 -15.474 11.239 -8.356 1.00 0.00 C ATOM 204 C TYR A 13 -16.492 11.013 -7.230 1.00 0.00 C ATOM 205 O TYR A 13 -16.712 9.878 -6.798 1.00 0.00 O ATOM 206 CB TYR A 13 -14.081 11.631 -7.829 1.00 0.00 C ATOM 207 CG TYR A 13 -13.849 11.427 -6.340 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.450 10.173 -5.832 1.00 0.00 C ATOM 209 CD2 TYR A 13 -13.987 12.522 -5.463 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.140 10.035 -4.468 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.721 12.377 -4.090 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.284 11.130 -3.587 1.00 0.00 C ATOM 213 OH TYR A 13 -12.980 10.975 -2.267 1.00 0.00 O ATOM 0 H TYR A 13 -15.353 13.064 -9.384 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.367 10.285 -8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.333 11.056 -8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.909 12.682 -8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.383 9.320 -6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.300 13.481 -5.849 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.789 9.086 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -13.850 13.216 -3.422 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.131 11.821 -1.795 1.00 0.00 H new ATOM 223 N GLN A 14 -17.152 12.093 -6.797 1.00 0.00 N ATOM 224 CA GLN A 14 -18.193 12.046 -5.780 1.00 0.00 C ATOM 225 C GLN A 14 -19.437 11.276 -6.250 1.00 0.00 C ATOM 226 O GLN A 14 -20.211 10.834 -5.400 1.00 0.00 O ATOM 227 CB GLN A 14 -18.561 13.481 -5.366 1.00 0.00 C ATOM 228 CG GLN A 14 -17.455 14.124 -4.515 1.00 0.00 C ATOM 229 CD GLN A 14 -17.688 15.622 -4.333 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.389 16.062 -3.425 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.107 16.435 -5.200 1.00 0.00 N ATOM 0 H GLN A 14 -16.972 13.032 -7.151 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.802 11.503 -4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.733 14.085 -6.257 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.494 13.470 -4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.417 13.639 -3.539 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.488 13.960 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.528 16.053 -5.948 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.238 17.443 -5.120 1.00 0.00 H new ATOM 240 N GLN A 15 -19.651 11.104 -7.564 1.00 0.00 N ATOM 241 CA GLN A 15 -20.770 10.311 -8.061 1.00 0.00 C ATOM 242 C GLN A 15 -20.436 8.830 -7.888 1.00 0.00 C ATOM 243 O GLN A 15 -21.203 8.113 -7.248 1.00 0.00 O ATOM 244 CB GLN A 15 -21.110 10.630 -9.530 1.00 0.00 C ATOM 245 CG GLN A 15 -21.271 12.127 -9.843 1.00 0.00 C ATOM 246 CD GLN A 15 -22.193 12.875 -8.877 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.328 12.476 -8.628 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.724 13.977 -8.314 1.00 0.00 N ATOM 0 H GLN A 15 -19.062 11.505 -8.294 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.658 10.565 -7.482 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.325 10.222 -10.167 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -22.034 10.116 -9.794 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.288 12.598 -9.827 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.660 12.235 -10.856 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.780 14.298 -8.529 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.307 14.506 -7.665 1.00 0.00 H new ATOM 257 N GLU A 16 -19.292 8.376 -8.414 1.00 0.00 N ATOM 258 CA GLU A 16 -18.817 7.001 -8.285 1.00 0.00 C ATOM 259 C GLU A 16 -17.336 6.910 -8.663 1.00 0.00 C ATOM 260 O GLU A 16 -16.849 7.709 -9.467 1.00 0.00 O ATOM 261 CB GLU A 16 -19.661 6.035 -9.145 1.00 0.00 C ATOM 262 CG GLU A 16 -19.716 6.367 -10.644 1.00 0.00 C ATOM 263 CD GLU A 16 -20.758 5.493 -11.361 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.950 5.877 -11.389 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.394 4.429 -11.910 1.00 0.00 O ATOM 0 H GLU A 16 -18.661 8.970 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.929 6.701 -7.243 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.262 5.027 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.679 6.023 -8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.964 7.420 -10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.734 6.211 -11.092 1.00 0.00 H new ATOM 272 N HIS A 17 -16.633 5.921 -8.102 1.00 0.00 N ATOM 273 CA HIS A 17 -15.227 5.611 -8.364 1.00 0.00 C ATOM 274 C HIS A 17 -14.923 4.185 -7.863 1.00 0.00 C ATOM 275 O HIS A 17 -15.812 3.521 -7.323 1.00 0.00 O ATOM 276 CB HIS A 17 -14.314 6.683 -7.736 1.00 0.00 C ATOM 277 CG HIS A 17 -14.439 6.820 -6.242 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.436 7.479 -5.556 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.527 6.387 -5.319 1.00 0.00 C ATOM 280 CE1 HIS A 17 -15.152 7.399 -4.245 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.997 6.735 -4.045 1.00 0.00 N ATOM 0 H HIS A 17 -17.050 5.286 -7.421 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.026 5.632 -9.435 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.278 6.447 -7.980 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.538 7.646 -8.195 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.244 7.944 -5.969 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.605 5.867 -5.534 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.766 7.811 -3.458 1.00 0.00 H new ATOM 289 N VAL A 18 -13.706 3.670 -8.077 1.00 0.00 N ATOM 290 CA VAL A 18 -13.327 2.318 -7.653 1.00 0.00 C ATOM 291 C VAL A 18 -13.226 2.296 -6.120 1.00 0.00 C ATOM 292 O VAL A 18 -12.834 3.282 -5.494 1.00 0.00 O ATOM 293 CB VAL A 18 -12.028 1.876 -8.372 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.456 0.538 -7.888 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.275 1.737 -9.885 1.00 0.00 C ATOM 0 H VAL A 18 -12.958 4.179 -8.548 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.084 1.588 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.306 2.658 -8.138 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.548 0.307 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.222 0.605 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.191 -0.251 -8.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.353 1.426 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.050 0.991 -10.060 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.597 2.696 -10.291 1.00 0.00 H new ATOM 305 N GLN A 19 -13.603 1.169 -5.511 1.00 0.00 N ATOM 306 CA GLN A 19 -13.545 0.962 -4.069 1.00 0.00 C ATOM 307 C GLN A 19 -12.086 1.022 -3.582 1.00 0.00 C ATOM 308 O GLN A 19 -11.181 0.547 -4.271 1.00 0.00 O ATOM 309 CB GLN A 19 -14.194 -0.401 -3.768 1.00 0.00 C ATOM 310 CG GLN A 19 -14.381 -0.693 -2.273 1.00 0.00 C ATOM 311 CD GLN A 19 -15.124 -2.015 -2.062 1.00 0.00 C ATOM 312 OE1 GLN A 19 -16.351 -2.059 -2.021 1.00 0.00 O ATOM 313 NE2 GLN A 19 -14.407 -3.121 -1.935 1.00 0.00 N ATOM 0 H GLN A 19 -13.963 0.362 -6.020 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.086 1.745 -3.538 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.166 -0.444 -4.259 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.580 -1.188 -4.206 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.409 -0.736 -1.783 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.938 0.120 -1.807 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.389 -3.075 -1.970 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.873 -4.018 -1.802 1.00 0.00 H new ATOM 322 N GLY A 20 -11.865 1.537 -2.366 1.00 0.00 N ATOM 323 CA GLY A 20 -10.558 1.501 -1.711 1.00 0.00 C ATOM 324 C GLY A 20 -9.526 2.365 -2.438 1.00 0.00 C ATOM 325 O GLY A 20 -8.413 1.905 -2.703 1.00 0.00 O ATOM 0 H GLY A 20 -12.591 1.990 -1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.659 1.846 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -10.203 0.471 -1.668 1.00 0.00 H new ATOM 329 N ALA A 21 -9.906 3.595 -2.795 1.00 0.00 N ATOM 330 CA ALA A 21 -9.104 4.531 -3.576 1.00 0.00 C ATOM 331 C ALA A 21 -9.267 5.955 -3.026 1.00 0.00 C ATOM 332 O ALA A 21 -10.060 6.194 -2.110 1.00 0.00 O ATOM 333 CB ALA A 21 -9.555 4.450 -5.040 1.00 0.00 C ATOM 0 H ALA A 21 -10.816 3.977 -2.536 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.048 4.271 -3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.967 5.143 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.409 3.435 -5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.610 4.714 -5.111 1.00 0.00 H new ATOM 339 N ILE A 22 -8.539 6.903 -3.615 1.00 0.00 N ATOM 340 CA ILE A 22 -8.618 8.340 -3.347 1.00 0.00 C ATOM 341 C ILE A 22 -8.848 9.042 -4.697 1.00 0.00 C ATOM 342 O ILE A 22 -8.840 8.385 -5.741 1.00 0.00 O ATOM 343 CB ILE A 22 -7.339 8.776 -2.579 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.504 10.142 -1.876 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.088 8.758 -3.476 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.313 10.516 -0.983 1.00 0.00 C ATOM 0 H ILE A 22 -7.844 6.680 -4.327 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.449 8.620 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.192 8.031 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.640 10.917 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.411 10.124 -1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.220 9.070 -2.896 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.927 7.749 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.230 9.442 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.495 11.486 -0.521 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.190 9.761 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.407 10.567 -1.587 1.00 0.00 H new ATOM 358 N ASN A 23 -9.025 10.366 -4.710 1.00 0.00 N ATOM 359 CA ASN A 23 -9.114 11.153 -5.936 1.00 0.00 C ATOM 360 C ASN A 23 -8.219 12.368 -5.821 1.00 0.00 C ATOM 361 O ASN A 23 -8.226 13.064 -4.803 1.00 0.00 O ATOM 362 CB ASN A 23 -10.560 11.568 -6.208 1.00 0.00 C ATOM 363 CG ASN A 23 -10.743 12.695 -7.229 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.255 13.755 -6.893 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.365 12.502 -8.483 1.00 0.00 N ATOM 0 H ASN A 23 -9.111 10.924 -3.860 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.780 10.544 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.111 10.694 -6.555 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.014 11.877 -5.266 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.500 13.239 -9.175 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.939 11.617 -8.757 1.00 0.00 H new ATOM 372 N ILE A 24 -7.460 12.615 -6.883 1.00 0.00 N ATOM 373 CA ILE A 24 -6.592 13.765 -7.043 1.00 0.00 C ATOM 374 C ILE A 24 -6.819 14.185 -8.504 1.00 0.00 C ATOM 375 O ILE A 24 -6.179 13.625 -9.392 1.00 0.00 O ATOM 376 CB ILE A 24 -5.116 13.431 -6.700 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.933 12.659 -5.370 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.346 14.758 -6.631 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.480 12.273 -5.074 1.00 0.00 C ATOM 0 H ILE A 24 -7.435 11.989 -7.688 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.819 14.580 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.738 12.769 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.311 13.271 -4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.541 11.755 -5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.301 14.560 -6.391 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.408 15.265 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.782 15.392 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.432 11.736 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.103 11.634 -5.873 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.870 13.174 -5.011 1.00 0.00 H new ATOM 391 N PRO A 25 -7.801 15.063 -8.785 1.00 0.00 N ATOM 392 CA PRO A 25 -8.196 15.409 -10.146 1.00 0.00 C ATOM 393 C PRO A 25 -7.022 15.865 -11.007 1.00 0.00 C ATOM 394 O PRO A 25 -6.103 16.509 -10.502 1.00 0.00 O ATOM 395 CB PRO A 25 -9.211 16.545 -10.006 1.00 0.00 C ATOM 396 CG PRO A 25 -9.805 16.331 -8.618 1.00 0.00 C ATOM 397 CD PRO A 25 -8.638 15.760 -7.821 1.00 0.00 C ATOM 0 HA PRO A 25 -8.607 14.533 -10.647 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.733 17.521 -10.091 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -9.976 16.496 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.168 17.264 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.650 15.642 -8.644 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.081 16.553 -7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.990 15.080 -7.045 1.00 0.00 H new ATOM 405 N LEU A 26 -7.108 15.660 -12.325 1.00 0.00 N ATOM 406 CA LEU A 26 -6.132 16.173 -13.293 1.00 0.00 C ATOM 407 C LEU A 26 -5.881 17.683 -13.121 1.00 0.00 C ATOM 408 O LEU A 26 -4.758 18.149 -13.306 1.00 0.00 O ATOM 409 CB LEU A 26 -6.630 15.850 -14.715 1.00 0.00 C ATOM 410 CG LEU A 26 -5.708 16.348 -15.849 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.359 15.619 -15.846 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.395 16.134 -17.200 1.00 0.00 C ATOM 0 H LEU A 26 -7.865 15.128 -12.755 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.174 15.684 -13.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.747 14.770 -14.808 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.618 16.291 -14.848 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.520 17.409 -15.684 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.739 15.998 -16.659 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.855 15.790 -14.895 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.523 14.550 -15.982 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.743 16.486 -17.999 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.600 15.073 -17.340 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.332 16.691 -17.224 1.00 0.00 H new ATOM 424 N LYS A 27 -6.910 18.446 -12.734 1.00 0.00 N ATOM 425 CA LYS A 27 -6.813 19.891 -12.510 1.00 0.00 C ATOM 426 C LYS A 27 -5.977 20.260 -11.274 1.00 0.00 C ATOM 427 O LYS A 27 -5.579 21.417 -11.149 1.00 0.00 O ATOM 428 CB LYS A 27 -8.226 20.494 -12.377 1.00 0.00 C ATOM 429 CG LYS A 27 -9.166 20.248 -13.573 1.00 0.00 C ATOM 430 CD LYS A 27 -8.634 20.823 -14.895 1.00 0.00 C ATOM 431 CE LYS A 27 -9.683 20.650 -16.003 1.00 0.00 C ATOM 432 NZ LYS A 27 -9.235 21.221 -17.298 1.00 0.00 N ATOM 0 H LYS A 27 -7.844 18.072 -12.566 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.298 20.308 -13.376 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.693 20.087 -11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.131 21.569 -12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.322 19.175 -13.688 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.139 20.690 -13.358 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.394 21.879 -14.771 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.710 20.317 -15.175 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -9.900 19.590 -16.132 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.612 21.131 -15.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.976 21.080 -18.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.052 22.238 -17.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.363 20.745 -17.604 1.00 0.00 H new ATOM 446 N GLU A 28 -5.705 19.317 -10.367 1.00 0.00 N ATOM 447 CA GLU A 28 -5.122 19.578 -9.048 1.00 0.00 C ATOM 448 C GLU A 28 -3.849 18.755 -8.810 1.00 0.00 C ATOM 449 O GLU A 28 -3.006 19.145 -8.002 1.00 0.00 O ATOM 450 CB GLU A 28 -6.157 19.228 -7.960 1.00 0.00 C ATOM 451 CG GLU A 28 -7.499 19.976 -8.055 1.00 0.00 C ATOM 452 CD GLU A 28 -7.366 21.508 -7.952 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.701 22.012 -7.018 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.972 22.229 -8.776 1.00 0.00 O ATOM 0 H GLU A 28 -5.889 18.328 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.854 20.634 -9.004 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.354 18.157 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.716 19.432 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.978 19.725 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.158 19.624 -7.261 1.00 0.00 H new ATOM 461 N VAL A 29 -3.690 17.621 -9.502 1.00 0.00 N ATOM 462 CA VAL A 29 -2.656 16.624 -9.236 1.00 0.00 C ATOM 463 C VAL A 29 -1.241 17.208 -9.247 1.00 0.00 C ATOM 464 O VAL A 29 -0.438 16.821 -8.397 1.00 0.00 O ATOM 465 CB VAL A 29 -2.880 15.411 -10.173 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.605 15.731 -11.646 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.065 14.178 -9.775 1.00 0.00 C ATOM 0 H VAL A 29 -4.295 17.368 -10.283 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.749 16.262 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.939 15.181 -10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.780 14.841 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.270 16.530 -11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.569 16.051 -11.762 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.269 13.366 -10.473 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.003 14.420 -9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.342 13.869 -8.767 1.00 0.00 H new ATOM 477 N LYS A 30 -0.954 18.199 -10.101 1.00 0.00 N ATOM 478 CA LYS A 30 0.360 18.849 -10.180 1.00 0.00 C ATOM 479 C LYS A 30 0.812 19.438 -8.841 1.00 0.00 C ATOM 480 O LYS A 30 2.014 19.578 -8.620 1.00 0.00 O ATOM 481 CB LYS A 30 0.351 19.958 -11.247 1.00 0.00 C ATOM 482 CG LYS A 30 0.122 19.418 -12.668 1.00 0.00 C ATOM 483 CD LYS A 30 0.108 20.514 -13.744 1.00 0.00 C ATOM 484 CE LYS A 30 1.477 21.196 -13.903 1.00 0.00 C ATOM 485 NZ LYS A 30 1.470 22.224 -14.974 1.00 0.00 N ATOM 0 H LYS A 30 -1.634 18.575 -10.762 1.00 0.00 H new ATOM 0 HA LYS A 30 1.071 18.071 -10.456 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.430 20.679 -11.008 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.300 20.493 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.904 18.697 -12.905 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.826 18.880 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.191 20.079 -14.698 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -0.640 21.263 -13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.762 21.660 -12.959 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.232 20.443 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.413 22.657 -15.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.224 21.779 -15.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.768 22.957 -14.747 1.00 0.00 H new ATOM 499 N GLU A 31 -0.123 19.780 -7.951 1.00 0.00 N ATOM 500 CA GLU A 31 0.158 20.435 -6.677 1.00 0.00 C ATOM 501 C GLU A 31 -0.053 19.483 -5.492 1.00 0.00 C ATOM 502 O GLU A 31 0.151 19.894 -4.347 1.00 0.00 O ATOM 503 CB GLU A 31 -0.755 21.665 -6.530 1.00 0.00 C ATOM 504 CG GLU A 31 -0.503 22.724 -7.614 1.00 0.00 C ATOM 505 CD GLU A 31 -1.319 24.003 -7.358 1.00 0.00 C ATOM 506 OE1 GLU A 31 -0.844 24.899 -6.621 1.00 0.00 O ATOM 507 OE2 GLU A 31 -2.435 24.144 -7.909 1.00 0.00 O ATOM 0 H GLU A 31 -1.116 19.604 -8.102 1.00 0.00 H new ATOM 0 HA GLU A 31 1.204 20.741 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.796 21.347 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.600 22.112 -5.548 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.559 22.969 -7.644 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.763 22.315 -8.590 1.00 0.00 H new ATOM 514 N ARG A 32 -0.463 18.228 -5.731 1.00 0.00 N ATOM 515 CA ARG A 32 -0.937 17.348 -4.660 1.00 0.00 C ATOM 516 C ARG A 32 -0.409 15.918 -4.743 1.00 0.00 C ATOM 517 O ARG A 32 -0.304 15.279 -3.698 1.00 0.00 O ATOM 518 CB ARG A 32 -2.476 17.429 -4.628 1.00 0.00 C ATOM 519 CG ARG A 32 -3.089 16.694 -3.428 1.00 0.00 C ATOM 520 CD ARG A 32 -4.585 16.998 -3.267 1.00 0.00 C ATOM 521 NE ARG A 32 -5.215 16.033 -2.342 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.251 15.224 -2.609 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.964 15.364 -3.723 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.570 14.257 -1.755 1.00 0.00 N ATOM 0 H ARG A 32 -0.475 17.803 -6.658 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.529 17.699 -3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.779 18.476 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.876 17.006 -5.549 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.949 15.620 -3.551 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.561 16.982 -2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.717 18.012 -2.889 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.077 16.953 -4.238 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.821 15.976 -1.403 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -6.726 16.096 -4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.748 14.739 -3.908 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.028 14.132 -0.900 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.357 13.640 -1.954 1.00 0.00 H new ATOM 538 N ILE A 33 -0.010 15.395 -5.909 1.00 0.00 N ATOM 539 CA ILE A 33 0.607 14.065 -5.933 1.00 0.00 C ATOM 540 C ILE A 33 1.909 14.068 -5.123 1.00 0.00 C ATOM 541 O ILE A 33 2.175 13.111 -4.398 1.00 0.00 O ATOM 542 CB ILE A 33 0.771 13.524 -7.371 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.192 12.037 -7.379 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.736 14.345 -8.249 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.141 11.089 -6.790 1.00 0.00 C ATOM 0 H ILE A 33 -0.098 15.853 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.067 13.360 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.219 13.623 -7.816 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.404 11.736 -8.405 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.119 11.929 -6.817 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.794 13.898 -9.242 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.370 15.368 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.727 14.350 -7.795 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.511 10.065 -6.832 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.055 11.362 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.781 11.165 -7.366 1.00 0.00 H new ATOM 557 N ALA A 34 2.657 15.179 -5.162 1.00 0.00 N ATOM 558 CA ALA A 34 3.923 15.342 -4.456 1.00 0.00 C ATOM 559 C ALA A 34 3.801 15.198 -2.931 1.00 0.00 C ATOM 560 O ALA A 34 4.819 14.989 -2.272 1.00 0.00 O ATOM 561 CB ALA A 34 4.526 16.704 -4.816 1.00 0.00 C ATOM 0 H ALA A 34 2.388 16.004 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 34 4.578 14.533 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.473 16.833 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.697 16.753 -5.891 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.838 17.496 -4.521 1.00 0.00 H new ATOM 567 N THR A 35 2.597 15.302 -2.360 1.00 0.00 N ATOM 568 CA THR A 35 2.354 15.231 -0.928 1.00 0.00 C ATOM 569 C THR A 35 1.455 14.036 -0.582 1.00 0.00 C ATOM 570 O THR A 35 1.624 13.444 0.486 1.00 0.00 O ATOM 571 CB THR A 35 1.756 16.575 -0.474 1.00 0.00 C ATOM 572 OG1 THR A 35 0.790 17.045 -1.401 1.00 0.00 O ATOM 573 CG2 THR A 35 2.844 17.648 -0.348 1.00 0.00 C ATOM 0 H THR A 35 1.745 15.442 -2.903 1.00 0.00 H new ATOM 0 HA THR A 35 3.288 15.065 -0.391 1.00 0.00 H new ATOM 0 HB THR A 35 1.289 16.398 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.425 17.899 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.394 18.587 -0.026 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.585 17.330 0.386 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.328 17.790 -1.314 1.00 0.00 H new ATOM 581 N ALA A 36 0.553 13.624 -1.484 1.00 0.00 N ATOM 582 CA ALA A 36 -0.220 12.396 -1.332 1.00 0.00 C ATOM 583 C ALA A 36 0.686 11.163 -1.432 1.00 0.00 C ATOM 584 O ALA A 36 0.516 10.216 -0.662 1.00 0.00 O ATOM 585 CB ALA A 36 -1.310 12.333 -2.406 1.00 0.00 C ATOM 0 H ALA A 36 0.343 14.138 -2.339 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.683 12.400 -0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.884 11.414 -2.288 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.973 13.192 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.849 12.348 -3.394 1.00 0.00 H new ATOM 591 N VAL A 37 1.647 11.176 -2.362 1.00 0.00 N ATOM 592 CA VAL A 37 2.553 10.071 -2.651 1.00 0.00 C ATOM 593 C VAL A 37 3.940 10.682 -2.922 1.00 0.00 C ATOM 594 O VAL A 37 4.338 10.833 -4.079 1.00 0.00 O ATOM 595 CB VAL A 37 2.021 9.199 -3.818 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.854 7.915 -3.937 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.550 8.778 -3.649 1.00 0.00 C ATOM 0 H VAL A 37 1.817 11.989 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 37 2.627 9.386 -1.807 1.00 0.00 H new ATOM 0 HB VAL A 37 2.100 9.821 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.473 7.309 -4.759 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.895 8.173 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.786 7.350 -3.008 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.245 8.171 -4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.440 8.198 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.079 9.667 -3.593 1.00 0.00 H new ATOM 607 N PRO A 38 4.680 11.096 -1.877 1.00 0.00 N ATOM 608 CA PRO A 38 5.987 11.723 -2.051 1.00 0.00 C ATOM 609 C PRO A 38 7.036 10.739 -2.590 1.00 0.00 C ATOM 610 O PRO A 38 8.007 11.165 -3.217 1.00 0.00 O ATOM 611 CB PRO A 38 6.369 12.260 -0.666 1.00 0.00 C ATOM 612 CG PRO A 38 5.611 11.352 0.300 1.00 0.00 C ATOM 613 CD PRO A 38 4.332 11.017 -0.465 1.00 0.00 C ATOM 0 HA PRO A 38 5.946 12.520 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.445 12.210 -0.501 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.076 13.303 -0.547 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.182 10.455 0.542 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.396 11.857 1.242 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.972 10.021 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.535 11.718 -0.219 1.00 0.00 H new ATOM 621 N ASP A 39 6.866 9.433 -2.349 1.00 0.00 N ATOM 622 CA ASP A 39 7.770 8.401 -2.846 1.00 0.00 C ATOM 623 C ASP A 39 7.505 8.142 -4.330 1.00 0.00 C ATOM 624 O ASP A 39 6.549 7.451 -4.691 1.00 0.00 O ATOM 625 CB ASP A 39 7.626 7.102 -2.043 1.00 0.00 C ATOM 626 CG ASP A 39 8.505 5.981 -2.630 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.483 6.283 -3.352 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.231 4.795 -2.340 1.00 0.00 O ATOM 0 H ASP A 39 6.090 9.065 -1.799 1.00 0.00 H new ATOM 0 HA ASP A 39 8.793 8.757 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.906 7.281 -1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.583 6.786 -2.042 1.00 0.00 H new ATOM 633 N LYS A 40 8.356 8.684 -5.202 1.00 0.00 N ATOM 634 CA LYS A 40 8.207 8.547 -6.651 1.00 0.00 C ATOM 635 C LYS A 40 8.394 7.107 -7.147 1.00 0.00 C ATOM 636 O LYS A 40 8.046 6.826 -8.296 1.00 0.00 O ATOM 637 CB LYS A 40 9.141 9.527 -7.381 1.00 0.00 C ATOM 638 CG LYS A 40 8.813 10.987 -7.025 1.00 0.00 C ATOM 639 CD LYS A 40 9.616 11.984 -7.866 1.00 0.00 C ATOM 640 CE LYS A 40 9.311 13.409 -7.385 1.00 0.00 C ATOM 641 NZ LYS A 40 10.028 14.434 -8.181 1.00 0.00 N ATOM 0 H LYS A 40 9.170 9.232 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 40 7.175 8.805 -6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.176 9.310 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.050 9.384 -8.458 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.748 11.165 -7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.020 11.156 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.683 11.778 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.358 11.880 -8.920 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.238 13.589 -7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.591 13.504 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.779 15.381 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.054 14.290 -8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.755 14.351 -9.181 1.00 0.00 H new ATOM 655 N ASN A 41 8.923 6.194 -6.321 1.00 0.00 N ATOM 656 CA ASN A 41 9.018 4.774 -6.664 1.00 0.00 C ATOM 657 C ASN A 41 7.664 4.060 -6.514 1.00 0.00 C ATOM 658 O ASN A 41 7.509 2.940 -7.001 1.00 0.00 O ATOM 659 CB ASN A 41 10.094 4.091 -5.805 1.00 0.00 C ATOM 660 CG ASN A 41 10.232 2.590 -6.058 1.00 0.00 C ATOM 661 OD1 ASN A 41 10.088 1.786 -5.140 1.00 0.00 O ATOM 662 ND2 ASN A 41 10.544 2.163 -7.271 1.00 0.00 N ATOM 0 H ASN A 41 9.295 6.421 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 41 9.307 4.702 -7.713 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.054 4.571 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 41 9.860 4.252 -4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.665 1.165 -7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.663 2.832 -8.032 1.00 0.00 H new ATOM 669 N ASP A 42 6.681 4.663 -5.837 1.00 0.00 N ATOM 670 CA ASP A 42 5.393 4.018 -5.583 1.00 0.00 C ATOM 671 C ASP A 42 4.606 3.804 -6.882 1.00 0.00 C ATOM 672 O ASP A 42 4.696 4.611 -7.813 1.00 0.00 O ATOM 673 CB ASP A 42 4.565 4.854 -4.608 1.00 0.00 C ATOM 674 CG ASP A 42 3.341 4.059 -4.147 1.00 0.00 C ATOM 675 OD1 ASP A 42 3.500 3.254 -3.202 1.00 0.00 O ATOM 676 OD2 ASP A 42 2.259 4.209 -4.752 1.00 0.00 O ATOM 0 H ASP A 42 6.757 5.605 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 42 5.594 3.041 -5.143 1.00 0.00 H new ATOM 0 HB2 ASP A 42 5.173 5.133 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.248 5.780 -5.088 1.00 0.00 H new ATOM 681 N THR A 43 3.821 2.727 -6.945 1.00 0.00 N ATOM 682 CA THR A 43 2.977 2.401 -8.087 1.00 0.00 C ATOM 683 C THR A 43 1.719 3.286 -8.060 1.00 0.00 C ATOM 684 O THR A 43 0.645 2.864 -7.621 1.00 0.00 O ATOM 685 CB THR A 43 2.660 0.890 -8.126 1.00 0.00 C ATOM 686 OG1 THR A 43 3.770 0.110 -7.716 1.00 0.00 O ATOM 687 CG2 THR A 43 2.254 0.444 -9.534 1.00 0.00 C ATOM 0 H THR A 43 3.756 2.047 -6.188 1.00 0.00 H new ATOM 0 HA THR A 43 3.507 2.615 -9.015 1.00 0.00 H new ATOM 0 HB THR A 43 1.832 0.733 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.533 -0.840 -7.751 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.037 -0.624 -9.529 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.366 0.993 -9.848 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.069 0.645 -10.229 1.00 0.00 H new ATOM 695 N VAL A 44 1.861 4.539 -8.494 1.00 0.00 N ATOM 696 CA VAL A 44 0.757 5.469 -8.692 1.00 0.00 C ATOM 697 C VAL A 44 -0.136 4.900 -9.806 1.00 0.00 C ATOM 698 O VAL A 44 0.191 5.002 -10.991 1.00 0.00 O ATOM 699 CB VAL A 44 1.331 6.876 -8.987 1.00 0.00 C ATOM 700 CG1 VAL A 44 0.253 7.901 -9.366 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.086 7.420 -7.762 1.00 0.00 C ATOM 0 H VAL A 44 2.770 4.942 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 44 0.134 5.582 -7.805 1.00 0.00 H new ATOM 0 HB VAL A 44 2.000 6.747 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.721 8.866 -9.560 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.270 7.565 -10.261 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.458 8.001 -8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.482 8.410 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.404 7.488 -6.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.908 6.749 -7.513 1.00 0.00 H new ATOM 711 N LYS A 45 -1.249 4.263 -9.434 1.00 0.00 N ATOM 712 CA LYS A 45 -2.222 3.738 -10.384 1.00 0.00 C ATOM 713 C LYS A 45 -3.269 4.817 -10.599 1.00 0.00 C ATOM 714 O LYS A 45 -3.836 5.321 -9.625 1.00 0.00 O ATOM 715 CB LYS A 45 -2.857 2.443 -9.856 1.00 0.00 C ATOM 716 CG LYS A 45 -1.858 1.278 -9.906 1.00 0.00 C ATOM 717 CD LYS A 45 -2.489 -0.013 -9.380 1.00 0.00 C ATOM 718 CE LYS A 45 -1.487 -1.169 -9.491 1.00 0.00 C ATOM 719 NZ LYS A 45 -2.043 -2.436 -8.961 1.00 0.00 N ATOM 0 H LYS A 45 -1.498 4.098 -8.459 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.740 3.486 -11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.196 2.592 -8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.737 2.197 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.519 1.129 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.978 1.524 -9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.793 0.118 -8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.390 -0.245 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.204 -1.305 -10.535 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.578 -0.915 -8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.294 -3.157 -8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.414 -2.278 -8.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.812 -2.763 -9.580 1.00 0.00 H new ATOM 733 N VAL A 46 -3.551 5.150 -11.855 1.00 0.00 N ATOM 734 CA VAL A 46 -4.483 6.211 -12.210 1.00 0.00 C ATOM 735 C VAL A 46 -5.592 5.644 -13.083 1.00 0.00 C ATOM 736 O VAL A 46 -5.356 4.773 -13.923 1.00 0.00 O ATOM 737 CB VAL A 46 -3.758 7.420 -12.842 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.952 8.172 -11.776 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.818 7.056 -14.006 1.00 0.00 C ATOM 0 H VAL A 46 -3.134 4.685 -12.662 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.948 6.601 -11.305 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.549 8.047 -13.255 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.446 9.022 -12.235 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.624 8.528 -10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.212 7.502 -11.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.350 7.961 -14.392 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.047 6.372 -13.651 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.391 6.577 -14.800 1.00 0.00 H new ATOM 749 N TYR A 47 -6.807 6.138 -12.885 1.00 0.00 N ATOM 750 CA TYR A 47 -7.987 5.783 -13.655 1.00 0.00 C ATOM 751 C TYR A 47 -8.954 6.962 -13.587 1.00 0.00 C ATOM 752 O TYR A 47 -8.755 7.887 -12.796 1.00 0.00 O ATOM 753 CB TYR A 47 -8.627 4.501 -13.109 1.00 0.00 C ATOM 754 CG TYR A 47 -9.256 4.635 -11.737 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.453 4.643 -10.578 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.651 4.787 -11.628 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.038 4.824 -9.313 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.239 4.959 -10.366 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.438 4.989 -9.206 1.00 0.00 C ATOM 760 OH TYR A 47 -11.033 5.159 -7.993 1.00 0.00 O ATOM 0 H TYR A 47 -7.003 6.823 -12.155 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.721 5.582 -14.693 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.390 4.166 -13.811 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.866 3.721 -13.069 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.385 4.510 -10.663 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.268 4.771 -12.514 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.421 4.837 -8.427 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.310 5.069 -10.283 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.411 5.607 -7.383 1.00 0.00 H new ATOM 770 N CYS A 48 -9.981 6.956 -14.428 1.00 0.00 N ATOM 771 CA CYS A 48 -11.064 7.924 -14.404 1.00 0.00 C ATOM 772 C CYS A 48 -12.239 7.321 -15.172 1.00 0.00 C ATOM 773 O CYS A 48 -12.199 6.151 -15.561 1.00 0.00 O ATOM 774 CB CYS A 48 -10.595 9.269 -14.996 1.00 0.00 C ATOM 775 SG CYS A 48 -9.960 9.072 -16.678 1.00 0.00 S ATOM 0 H CYS A 48 -10.084 6.258 -15.164 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.381 8.138 -13.383 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.426 9.974 -15.001 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.818 9.695 -14.361 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.667 9.793 -17.496 1.00 0.00 H new ATOM 781 N ASN A 49 -13.273 8.126 -15.423 1.00 0.00 N ATOM 782 CA ASN A 49 -14.488 7.710 -16.119 1.00 0.00 C ATOM 783 C ASN A 49 -14.179 7.015 -17.453 1.00 0.00 C ATOM 784 O ASN A 49 -14.758 5.969 -17.738 1.00 0.00 O ATOM 785 CB ASN A 49 -15.382 8.947 -16.342 1.00 0.00 C ATOM 786 CG ASN A 49 -16.828 8.601 -16.711 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.760 9.212 -16.199 1.00 0.00 O ATOM 788 ND2 ASN A 49 -17.068 7.632 -17.580 1.00 0.00 N ATOM 0 H ASN A 49 -13.288 9.106 -15.141 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.010 6.980 -15.501 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.382 9.553 -15.436 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.950 9.559 -17.134 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.029 7.393 -17.825 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.292 7.125 -18.005 1.00 0.00 H new ATOM 795 N ALA A 50 -13.303 7.604 -18.272 1.00 0.00 N ATOM 796 CA ALA A 50 -13.059 7.193 -19.660 1.00 0.00 C ATOM 797 C ALA A 50 -11.565 7.230 -20.029 1.00 0.00 C ATOM 798 O ALA A 50 -11.213 7.449 -21.190 1.00 0.00 O ATOM 799 CB ALA A 50 -13.902 8.083 -20.589 1.00 0.00 C ATOM 0 H ALA A 50 -12.731 8.397 -17.983 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.361 6.153 -19.780 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.732 7.791 -21.625 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.958 7.964 -20.347 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.614 9.126 -20.454 1.00 0.00 H new ATOM 805 N GLY A 51 -10.670 7.084 -19.050 1.00 0.00 N ATOM 806 CA GLY A 51 -9.222 6.978 -19.251 1.00 0.00 C ATOM 807 C GLY A 51 -8.515 8.276 -19.665 1.00 0.00 C ATOM 808 O GLY A 51 -7.299 8.367 -19.508 1.00 0.00 O ATOM 0 H GLY A 51 -10.939 7.035 -18.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.770 6.618 -18.327 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.033 6.223 -20.014 1.00 0.00 H new ATOM 812 N ARG A 52 -9.217 9.300 -20.169 1.00 0.00 N ATOM 813 CA ARG A 52 -8.566 10.502 -20.710 1.00 0.00 C ATOM 814 C ARG A 52 -7.867 11.320 -19.654 1.00 0.00 C ATOM 815 O ARG A 52 -6.771 11.796 -19.930 1.00 0.00 O ATOM 816 CB ARG A 52 -9.543 11.379 -21.516 1.00 0.00 C ATOM 817 CG ARG A 52 -10.349 10.657 -22.613 1.00 0.00 C ATOM 818 CD ARG A 52 -9.489 9.763 -23.518 1.00 0.00 C ATOM 819 NE ARG A 52 -10.182 9.412 -24.771 1.00 0.00 N ATOM 820 CZ ARG A 52 -11.022 8.389 -24.979 1.00 0.00 C ATOM 821 NH1 ARG A 52 -11.385 7.571 -23.993 1.00 0.00 N ATOM 822 NH2 ARG A 52 -11.506 8.186 -26.201 1.00 0.00 N ATOM 0 H ARG A 52 -10.236 9.320 -20.214 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.799 10.134 -21.392 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.245 11.840 -20.821 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.977 12.187 -21.980 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.122 10.048 -22.144 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.858 11.400 -23.227 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.556 10.275 -23.752 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.226 8.851 -22.982 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.001 10.018 -25.572 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.022 7.715 -23.051 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.026 6.800 -24.180 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.237 8.805 -26.966 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.146 7.411 -26.374 1.00 0.00 H new ATOM 836 N GLN A 53 -8.440 11.491 -18.466 1.00 0.00 N ATOM 837 CA GLN A 53 -7.744 12.192 -17.391 1.00 0.00 C ATOM 838 C GLN A 53 -6.519 11.373 -16.962 1.00 0.00 C ATOM 839 O GLN A 53 -5.518 11.963 -16.578 1.00 0.00 O ATOM 840 CB GLN A 53 -8.680 12.522 -16.208 1.00 0.00 C ATOM 841 CG GLN A 53 -9.646 13.702 -16.446 1.00 0.00 C ATOM 842 CD GLN A 53 -10.480 13.567 -17.722 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.285 14.299 -18.688 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.385 12.600 -17.778 1.00 0.00 N ATOM 0 H GLN A 53 -9.373 11.158 -18.225 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.401 13.157 -17.764 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.267 11.635 -15.971 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.069 12.744 -15.333 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.317 13.789 -15.591 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.071 14.627 -16.495 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.539 11.998 -16.969 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.928 12.458 -18.630 1.00 0.00 H new ATOM 853 N SER A 54 -6.554 10.042 -17.069 1.00 0.00 N ATOM 854 CA SER A 54 -5.450 9.157 -16.699 1.00 0.00 C ATOM 855 C SER A 54 -4.301 9.215 -17.701 1.00 0.00 C ATOM 856 O SER A 54 -3.150 9.347 -17.288 1.00 0.00 O ATOM 857 CB SER A 54 -5.972 7.727 -16.566 1.00 0.00 C ATOM 858 OG SER A 54 -7.219 7.742 -15.897 1.00 0.00 O ATOM 0 H SER A 54 -7.369 9.541 -17.423 1.00 0.00 H new ATOM 0 HA SER A 54 -5.051 9.497 -15.743 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.081 7.275 -17.552 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.257 7.117 -16.013 1.00 0.00 H new ATOM 0 HG SER A 54 -7.904 8.114 -16.491 1.00 0.00 H new ATOM 864 N GLY A 55 -4.591 9.168 -19.004 1.00 0.00 N ATOM 865 CA GLY A 55 -3.574 9.312 -20.039 1.00 0.00 C ATOM 866 C GLY A 55 -2.922 10.688 -19.934 1.00 0.00 C ATOM 867 O GLY A 55 -1.696 10.802 -19.929 1.00 0.00 O ATOM 0 H GLY A 55 -5.534 9.029 -19.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.820 8.533 -19.932 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.024 9.187 -21.024 1.00 0.00 H new ATOM 871 N GLN A 56 -3.749 11.723 -19.756 1.00 0.00 N ATOM 872 CA GLN A 56 -3.302 13.085 -19.510 1.00 0.00 C ATOM 873 C GLN A 56 -2.421 13.162 -18.249 1.00 0.00 C ATOM 874 O GLN A 56 -1.343 13.759 -18.290 1.00 0.00 O ATOM 875 CB GLN A 56 -4.543 13.987 -19.417 1.00 0.00 C ATOM 876 CG GLN A 56 -5.014 14.441 -20.808 1.00 0.00 C ATOM 877 CD GLN A 56 -6.309 15.249 -20.723 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.326 16.465 -20.892 1.00 0.00 O ATOM 879 NE2 GLN A 56 -7.417 14.580 -20.450 1.00 0.00 N ATOM 0 H GLN A 56 -4.764 11.629 -19.780 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.674 13.431 -20.331 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.348 13.449 -18.916 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.315 14.860 -18.806 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.237 15.044 -21.278 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.169 13.569 -21.444 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.382 13.570 -20.313 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.306 15.074 -20.377 1.00 0.00 H new ATOM 888 N ALA A 57 -2.837 12.535 -17.143 1.00 0.00 N ATOM 889 CA ALA A 57 -2.091 12.542 -15.890 1.00 0.00 C ATOM 890 C ALA A 57 -0.753 11.814 -16.028 1.00 0.00 C ATOM 891 O ALA A 57 0.238 12.254 -15.451 1.00 0.00 O ATOM 892 CB ALA A 57 -2.919 11.922 -14.757 1.00 0.00 C ATOM 0 H ALA A 57 -3.708 12.006 -17.097 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.883 13.583 -15.642 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.341 11.939 -13.833 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.837 12.495 -14.622 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.168 10.892 -15.010 1.00 0.00 H new ATOM 898 N LYS A 58 -0.688 10.716 -16.789 1.00 0.00 N ATOM 899 CA LYS A 58 0.550 9.956 -16.934 1.00 0.00 C ATOM 900 C LYS A 58 1.664 10.828 -17.506 1.00 0.00 C ATOM 901 O LYS A 58 2.809 10.678 -17.078 1.00 0.00 O ATOM 902 CB LYS A 58 0.312 8.685 -17.769 1.00 0.00 C ATOM 903 CG LYS A 58 1.560 7.787 -17.777 1.00 0.00 C ATOM 904 CD LYS A 58 1.314 6.455 -18.499 1.00 0.00 C ATOM 905 CE LYS A 58 2.532 5.518 -18.412 1.00 0.00 C ATOM 906 NZ LYS A 58 3.740 6.061 -19.090 1.00 0.00 N ATOM 0 H LYS A 58 -1.478 10.338 -17.311 1.00 0.00 H new ATOM 0 HA LYS A 58 0.879 9.634 -15.946 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.535 8.132 -17.363 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.052 8.961 -18.791 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.381 8.314 -18.262 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.870 7.590 -16.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.445 5.962 -18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.079 6.648 -19.546 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.765 5.332 -17.364 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.275 4.557 -18.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.519 5.377 -19.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.528 6.230 -20.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.018 6.956 -18.640 1.00 0.00 H new ATOM 920 N GLU A 59 1.356 11.746 -18.425 1.00 0.00 N ATOM 921 CA GLU A 59 2.367 12.615 -19.017 1.00 0.00 C ATOM 922 C GLU A 59 3.000 13.494 -17.936 1.00 0.00 C ATOM 923 O GLU A 59 4.219 13.458 -17.757 1.00 0.00 O ATOM 924 CB GLU A 59 1.768 13.470 -20.146 1.00 0.00 C ATOM 925 CG GLU A 59 1.324 12.623 -21.347 1.00 0.00 C ATOM 926 CD GLU A 59 0.843 13.505 -22.514 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.352 13.876 -22.559 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.654 13.823 -23.414 1.00 0.00 O ATOM 0 H GLU A 59 0.411 11.904 -18.774 1.00 0.00 H new ATOM 0 HA GLU A 59 3.146 11.992 -19.457 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.914 14.028 -19.762 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.505 14.203 -20.474 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.153 11.999 -21.679 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.521 11.951 -21.043 1.00 0.00 H new ATOM 935 N ILE A 60 2.197 14.247 -17.175 1.00 0.00 N ATOM 936 CA ILE A 60 2.724 15.139 -16.151 1.00 0.00 C ATOM 937 C ILE A 60 3.388 14.351 -15.019 1.00 0.00 C ATOM 938 O ILE A 60 4.406 14.798 -14.502 1.00 0.00 O ATOM 939 CB ILE A 60 1.630 16.103 -15.647 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.421 15.350 -15.054 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.219 17.045 -16.797 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.707 16.234 -14.540 1.00 0.00 C ATOM 0 H ILE A 60 1.180 14.252 -17.254 1.00 0.00 H new ATOM 0 HA ILE A 60 3.505 15.755 -16.596 1.00 0.00 H new ATOM 0 HB ILE A 60 2.035 16.700 -14.830 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.019 14.683 -15.817 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.771 14.722 -14.234 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.446 17.729 -16.448 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.087 17.616 -17.127 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.834 16.456 -17.629 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.508 15.609 -14.144 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.329 16.883 -13.750 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.093 16.843 -15.357 1.00 0.00 H new ATOM 954 N LEU A 61 2.881 13.167 -14.659 1.00 0.00 N ATOM 955 CA LEU A 61 3.493 12.338 -13.624 1.00 0.00 C ATOM 956 C LEU A 61 4.873 11.859 -14.074 1.00 0.00 C ATOM 957 O LEU A 61 5.811 11.863 -13.274 1.00 0.00 O ATOM 958 CB LEU A 61 2.587 11.140 -13.291 1.00 0.00 C ATOM 959 CG LEU A 61 1.308 11.510 -12.518 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.338 10.324 -12.494 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.628 11.914 -11.079 1.00 0.00 C ATOM 0 H LEU A 61 2.042 12.762 -15.075 1.00 0.00 H new ATOM 0 HA LEU A 61 3.613 12.939 -12.723 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.306 10.643 -14.219 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.157 10.420 -12.704 1.00 0.00 H new ATOM 0 HG LEU A 61 0.849 12.355 -13.031 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.561 10.601 -11.944 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.070 10.052 -13.515 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.815 9.474 -12.006 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.705 12.170 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.115 11.083 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.293 12.777 -11.083 1.00 0.00 H new ATOM 973 N SER A 62 5.018 11.493 -15.350 1.00 0.00 N ATOM 974 CA SER A 62 6.303 11.103 -15.912 1.00 0.00 C ATOM 975 C SER A 62 7.269 12.295 -15.894 1.00 0.00 C ATOM 976 O SER A 62 8.424 12.135 -15.498 1.00 0.00 O ATOM 977 CB SER A 62 6.116 10.551 -17.332 1.00 0.00 C ATOM 978 OG SER A 62 5.183 9.481 -17.351 1.00 0.00 O ATOM 0 H SER A 62 4.247 11.460 -16.017 1.00 0.00 H new ATOM 0 HA SER A 62 6.737 10.311 -15.302 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.772 11.348 -17.992 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.075 10.207 -17.720 1.00 0.00 H new ATOM 0 HG SER A 62 4.281 9.836 -17.494 1.00 0.00 H new ATOM 984 N GLU A 63 6.805 13.500 -16.248 1.00 0.00 N ATOM 985 CA GLU A 63 7.627 14.710 -16.219 1.00 0.00 C ATOM 986 C GLU A 63 8.025 15.081 -14.781 1.00 0.00 C ATOM 987 O GLU A 63 9.152 15.525 -14.554 1.00 0.00 O ATOM 988 CB GLU A 63 6.883 15.877 -16.892 1.00 0.00 C ATOM 989 CG GLU A 63 6.770 15.736 -18.419 1.00 0.00 C ATOM 990 CD GLU A 63 8.131 15.875 -19.127 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.591 17.018 -19.353 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.748 14.847 -19.487 1.00 0.00 O ATOM 0 H GLU A 63 5.848 13.661 -16.562 1.00 0.00 H new ATOM 0 HA GLU A 63 8.542 14.509 -16.776 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.882 15.952 -16.467 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.399 16.809 -16.659 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.336 14.765 -18.660 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.086 16.494 -18.801 1.00 0.00 H new ATOM 999 N MET A 64 7.138 14.862 -13.804 1.00 0.00 N ATOM 1000 CA MET A 64 7.420 15.044 -12.379 1.00 0.00 C ATOM 1001 C MET A 64 8.379 13.972 -11.841 1.00 0.00 C ATOM 1002 O MET A 64 8.882 14.120 -10.726 1.00 0.00 O ATOM 1003 CB MET A 64 6.109 15.067 -11.570 1.00 0.00 C ATOM 1004 CG MET A 64 5.317 16.362 -11.803 1.00 0.00 C ATOM 1005 SD MET A 64 3.698 16.440 -10.981 1.00 0.00 S ATOM 1006 CE MET A 64 4.217 16.736 -9.268 1.00 0.00 C ATOM 0 H MET A 64 6.185 14.547 -13.987 1.00 0.00 H new ATOM 0 HA MET A 64 7.919 16.006 -12.262 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.495 14.211 -11.849 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.335 14.965 -10.509 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.920 17.204 -11.462 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.168 16.490 -12.875 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.337 16.810 -8.629 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.843 15.910 -8.930 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.783 17.666 -9.215 1.00 0.00 H new ATOM 1016 N GLY A 65 8.670 12.917 -12.607 1.00 0.00 N ATOM 1017 CA GLY A 65 9.719 11.955 -12.300 1.00 0.00 C ATOM 1018 C GLY A 65 9.202 10.677 -11.643 1.00 0.00 C ATOM 1019 O GLY A 65 10.015 9.900 -11.142 1.00 0.00 O ATOM 0 H GLY A 65 8.171 12.708 -13.472 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.243 11.695 -13.220 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.449 12.424 -11.640 1.00 0.00 H new ATOM 1023 N TYR A 66 7.885 10.443 -11.610 1.00 0.00 N ATOM 1024 CA TYR A 66 7.354 9.147 -11.203 1.00 0.00 C ATOM 1025 C TYR A 66 7.655 8.157 -12.328 1.00 0.00 C ATOM 1026 O TYR A 66 7.436 8.464 -13.502 1.00 0.00 O ATOM 1027 CB TYR A 66 5.847 9.218 -10.916 1.00 0.00 C ATOM 1028 CG TYR A 66 5.481 10.050 -9.698 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.453 11.457 -9.777 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.192 9.416 -8.474 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.182 12.228 -8.633 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.912 10.180 -7.326 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.925 11.592 -7.398 1.00 0.00 C ATOM 1034 OH TYR A 66 4.711 12.348 -6.287 1.00 0.00 O ATOM 0 H TYR A 66 7.176 11.132 -11.859 1.00 0.00 H new ATOM 0 HA TYR A 66 7.825 8.825 -10.274 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.342 9.631 -11.789 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.467 8.206 -10.778 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.641 11.946 -10.722 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.185 8.338 -8.416 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.170 13.306 -8.698 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.687 9.688 -6.391 1.00 0.00 H new ATOM 0 HH TYR A 66 4.753 11.778 -5.491 1.00 0.00 H new ATOM 1044 N THR A 67 8.133 6.965 -11.975 1.00 0.00 N ATOM 1045 CA THR A 67 8.675 5.993 -12.928 1.00 0.00 C ATOM 1046 C THR A 67 7.877 4.678 -12.941 1.00 0.00 C ATOM 1047 O THR A 67 8.247 3.740 -13.650 1.00 0.00 O ATOM 1048 CB THR A 67 10.181 5.803 -12.629 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.456 5.836 -11.236 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.002 6.929 -13.270 1.00 0.00 C ATOM 0 H THR A 67 8.156 6.641 -11.008 1.00 0.00 H new ATOM 0 HA THR A 67 8.572 6.375 -13.944 1.00 0.00 H new ATOM 0 HB THR A 67 10.452 4.829 -13.038 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.431 4.925 -10.876 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.059 6.779 -13.050 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.852 6.920 -14.350 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.680 7.889 -12.867 1.00 0.00 H new ATOM 1058 N HIS A 68 6.770 4.609 -12.187 1.00 0.00 N ATOM 1059 CA HIS A 68 5.968 3.396 -11.989 1.00 0.00 C ATOM 1060 C HIS A 68 4.475 3.732 -12.078 1.00 0.00 C ATOM 1061 O HIS A 68 3.636 3.115 -11.420 1.00 0.00 O ATOM 1062 CB HIS A 68 6.346 2.722 -10.655 1.00 0.00 C ATOM 1063 CG HIS A 68 7.834 2.636 -10.426 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.685 1.623 -10.808 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.608 3.645 -9.926 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.943 2.021 -10.546 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.950 3.253 -10.000 1.00 0.00 N ATOM 0 H HIS A 68 6.400 5.417 -11.686 1.00 0.00 H new ATOM 0 HA HIS A 68 6.183 2.679 -12.781 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.891 3.277 -9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.924 1.717 -10.632 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.410 0.730 -11.217 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.246 4.586 -9.539 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.827 1.433 -10.746 1.00 0.00 H new ATOM 1075 N VAL A 69 4.154 4.760 -12.863 1.00 0.00 N ATOM 1076 CA VAL A 69 2.782 5.157 -13.138 1.00 0.00 C ATOM 1077 C VAL A 69 2.156 4.051 -13.994 1.00 0.00 C ATOM 1078 O VAL A 69 2.818 3.510 -14.886 1.00 0.00 O ATOM 1079 CB VAL A 69 2.742 6.522 -13.858 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.306 7.066 -13.921 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.624 7.581 -13.177 1.00 0.00 C ATOM 0 H VAL A 69 4.849 5.344 -13.328 1.00 0.00 H new ATOM 0 HA VAL A 69 2.219 5.279 -12.213 1.00 0.00 H new ATOM 0 HB VAL A 69 3.128 6.339 -14.861 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.304 8.028 -14.433 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.675 6.364 -14.466 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.920 7.192 -12.909 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.556 8.520 -13.727 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.283 7.735 -12.153 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.659 7.240 -13.167 1.00 0.00 H new ATOM 1091 N GLU A 70 0.883 3.738 -13.768 1.00 0.00 N ATOM 1092 CA GLU A 70 0.147 2.776 -14.572 1.00 0.00 C ATOM 1093 C GLU A 70 -1.290 3.269 -14.692 1.00 0.00 C ATOM 1094 O GLU A 70 -1.922 3.583 -13.682 1.00 0.00 O ATOM 1095 CB GLU A 70 0.229 1.391 -13.904 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.525 0.313 -14.696 1.00 0.00 C ATOM 1097 CD GLU A 70 -0.296 -1.088 -14.104 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -1.042 -1.495 -13.185 1.00 0.00 O ATOM 1099 OE2 GLU A 70 0.618 -1.807 -14.570 1.00 0.00 O ATOM 0 H GLU A 70 0.332 4.150 -13.015 1.00 0.00 H new ATOM 0 HA GLU A 70 0.569 2.682 -15.572 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.275 1.100 -13.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.182 1.452 -12.896 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.591 0.539 -14.695 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.197 0.328 -15.735 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.817 3.353 -15.916 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.247 3.564 -16.087 1.00 0.00 C ATOM 1108 C ASN A 71 -3.919 2.210 -15.881 1.00 0.00 C ATOM 1109 O ASN A 71 -3.750 1.315 -16.712 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.607 4.161 -17.455 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.121 4.134 -17.691 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.581 3.742 -18.757 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.931 4.519 -16.713 1.00 0.00 N ATOM 0 H ASN A 71 -1.285 3.279 -16.783 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.597 4.297 -15.360 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.246 5.188 -17.513 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.104 3.601 -18.243 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.942 4.489 -16.847 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.543 4.844 -15.828 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.656 2.050 -14.779 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.360 0.806 -14.481 1.00 0.00 C ATOM 1122 C ALA A 72 -6.420 0.496 -15.550 1.00 0.00 C ATOM 1123 O ALA A 72 -6.693 -0.673 -15.823 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.995 0.889 -13.089 1.00 0.00 C ATOM 0 H ALA A 72 -4.780 2.776 -14.074 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.639 -0.011 -14.491 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.519 -0.042 -12.872 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.217 1.050 -12.343 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.702 1.718 -13.060 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.002 1.534 -16.158 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.009 1.444 -17.204 1.00 0.00 C ATOM 1132 C GLY A 73 -8.961 2.628 -17.084 1.00 0.00 C ATOM 1133 O GLY A 73 -8.615 3.653 -16.485 1.00 0.00 O ATOM 0 H GLY A 73 -6.770 2.498 -15.920 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.533 1.442 -18.185 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.560 0.508 -17.115 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.162 2.479 -17.635 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.274 3.389 -17.403 1.00 0.00 C ATOM 1139 C GLY A 74 -12.282 2.679 -16.507 1.00 0.00 C ATOM 1140 O GLY A 74 -12.283 1.448 -16.422 1.00 0.00 O ATOM 0 H GLY A 74 -10.391 1.710 -18.265 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.924 4.307 -16.931 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.737 3.674 -18.348 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.148 3.441 -15.839 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.077 2.938 -14.823 1.00 0.00 C ATOM 1146 C LEU A 75 -14.902 1.757 -15.342 1.00 0.00 C ATOM 1147 O LEU A 75 -15.031 0.741 -14.659 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.968 4.113 -14.366 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.878 3.884 -13.140 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.140 3.063 -13.419 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.107 3.306 -11.947 1.00 0.00 C ATOM 0 H LEU A 75 -13.226 4.447 -15.991 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.518 2.552 -13.970 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.320 4.962 -14.149 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.601 4.401 -15.205 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.228 4.883 -12.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.715 2.955 -12.499 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.747 3.571 -14.168 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.858 2.077 -13.788 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.788 3.162 -11.109 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.669 2.348 -12.227 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.315 3.996 -11.657 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.421 1.877 -16.568 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.264 0.861 -17.202 1.00 0.00 C ATOM 1165 C LYS A 76 -15.517 -0.430 -17.563 1.00 0.00 C ATOM 1166 O LYS A 76 -16.167 -1.411 -17.926 1.00 0.00 O ATOM 1167 CB LYS A 76 -16.963 1.466 -18.435 1.00 0.00 C ATOM 1168 CG LYS A 76 -15.997 1.878 -19.562 1.00 0.00 C ATOM 1169 CD LYS A 76 -16.766 2.454 -20.758 1.00 0.00 C ATOM 1170 CE LYS A 76 -15.792 2.842 -21.879 1.00 0.00 C ATOM 1171 NZ LYS A 76 -16.494 3.377 -23.073 1.00 0.00 N ATOM 0 H LYS A 76 -15.264 2.696 -17.156 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.009 0.561 -16.465 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.676 0.741 -18.828 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.536 2.340 -18.123 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -15.290 2.619 -19.188 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.414 1.014 -19.881 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.482 1.720 -21.127 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -17.338 3.328 -20.445 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.091 3.589 -21.507 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.205 1.970 -22.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.797 3.625 -23.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.144 2.656 -23.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.034 4.225 -22.807 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.183 -0.447 -17.498 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.346 -1.547 -17.986 1.00 0.00 C ATOM 1187 C ASP A 77 -12.541 -2.195 -16.857 1.00 0.00 C ATOM 1188 O ASP A 77 -12.289 -3.399 -16.903 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.405 -1.025 -19.077 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.471 -2.135 -19.588 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.938 -3.030 -20.329 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.258 -2.096 -19.285 1.00 0.00 O ATOM 0 H ASP A 77 -13.643 0.320 -17.096 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.000 -2.315 -18.398 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.991 -0.629 -19.907 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.811 -0.200 -18.684 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.178 -1.428 -15.822 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.548 -1.939 -14.607 1.00 0.00 C ATOM 1199 C ILE A 78 -12.485 -2.975 -13.967 1.00 0.00 C ATOM 1200 O ILE A 78 -13.673 -2.706 -13.777 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.213 -0.742 -13.683 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.022 0.035 -14.284 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -10.887 -1.179 -12.244 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.817 1.416 -13.664 1.00 0.00 C ATOM 0 H ILE A 78 -12.318 -0.418 -15.809 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.608 -2.450 -14.814 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.096 -0.105 -13.625 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.113 -0.552 -14.152 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.177 0.147 -15.357 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.660 -0.301 -11.640 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.745 -1.700 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.025 -1.846 -12.253 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.963 1.903 -14.135 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.711 2.021 -13.819 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.630 1.311 -12.595 1.00 0.00 H new ATOM 1216 N ALA A 79 -11.946 -4.147 -13.611 1.00 0.00 N ATOM 1217 CA ALA A 79 -12.716 -5.252 -13.039 1.00 0.00 C ATOM 1218 C ALA A 79 -12.960 -5.102 -11.527 1.00 0.00 C ATOM 1219 O ALA A 79 -13.780 -5.835 -10.970 1.00 0.00 O ATOM 1220 CB ALA A 79 -11.981 -6.569 -13.322 1.00 0.00 C ATOM 0 H ALA A 79 -10.953 -4.355 -13.714 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.698 -5.246 -13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.547 -7.399 -12.900 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.883 -6.707 -14.399 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.990 -6.537 -12.869 1.00 0.00 H new ATOM 1226 N MET A 80 -12.247 -4.191 -10.854 1.00 0.00 N ATOM 1227 CA MET A 80 -12.391 -3.938 -9.417 1.00 0.00 C ATOM 1228 C MET A 80 -13.819 -3.464 -9.089 1.00 0.00 C ATOM 1229 O MET A 80 -14.470 -2.872 -9.959 1.00 0.00 O ATOM 1230 CB MET A 80 -11.369 -2.882 -8.957 1.00 0.00 C ATOM 1231 CG MET A 80 -9.908 -3.329 -9.102 1.00 0.00 C ATOM 1232 SD MET A 80 -9.414 -4.746 -8.078 1.00 0.00 S ATOM 1233 CE MET A 80 -9.335 -3.957 -6.445 1.00 0.00 C ATOM 0 H MET A 80 -11.544 -3.601 -11.299 1.00 0.00 H new ATOM 0 HA MET A 80 -12.203 -4.871 -8.885 1.00 0.00 H new ATOM 0 HB2 MET A 80 -11.519 -1.969 -9.534 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.561 -2.634 -7.913 1.00 0.00 H new ATOM 0 HG2 MET A 80 -9.725 -3.578 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 80 -9.263 -2.485 -8.858 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.009 -4.687 -5.704 1.00 0.00 H new ATOM 0 HE2 MET A 80 -8.627 -3.129 -6.475 1.00 0.00 H new ATOM 0 HE3 MET A 80 -10.322 -3.581 -6.174 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.312 -3.676 -7.854 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.603 -3.157 -7.414 1.00 0.00 C ATOM 1245 C PRO A 81 -15.586 -1.627 -7.301 1.00 0.00 C ATOM 1246 O PRO A 81 -14.526 -0.997 -7.239 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.885 -3.838 -6.069 1.00 0.00 C ATOM 1248 CG PRO A 81 -14.494 -4.158 -5.526 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.681 -4.444 -6.787 1.00 0.00 C ATOM 0 HA PRO A 81 -16.392 -3.376 -8.133 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -16.436 -3.182 -5.396 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.483 -4.741 -6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.080 -3.322 -4.962 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.512 -5.017 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.640 -4.148 -6.656 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.683 -5.509 -7.019 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.773 -1.019 -7.243 1.00 0.00 N ATOM 1258 CA LYS A 82 -16.957 0.432 -7.228 1.00 0.00 C ATOM 1259 C LYS A 82 -17.760 0.834 -5.996 1.00 0.00 C ATOM 1260 O LYS A 82 -18.407 -0.001 -5.360 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.657 0.924 -8.516 1.00 0.00 C ATOM 1262 CG LYS A 82 -16.817 0.824 -9.802 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.920 -0.533 -10.510 1.00 0.00 C ATOM 1264 CE LYS A 82 -15.991 -0.577 -11.729 1.00 0.00 C ATOM 1265 NZ LYS A 82 -15.854 -1.955 -12.251 1.00 0.00 N ATOM 0 H LYS A 82 -17.652 -1.535 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.975 0.904 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.572 0.349 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.952 1.964 -8.375 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.132 1.607 -10.492 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.772 1.016 -9.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.657 -1.332 -9.817 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -17.949 -0.709 -10.824 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.383 0.073 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.009 -0.190 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.119 -1.976 -12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.587 -2.595 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.760 -2.264 -12.659 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.750 2.128 -5.703 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.576 2.781 -4.700 1.00 0.00 C ATOM 1281 C VAL A 83 -19.287 3.936 -5.407 1.00 0.00 C ATOM 1282 O VAL A 83 -18.755 4.492 -6.373 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.718 3.229 -3.495 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.258 2.013 -2.678 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.482 4.056 -3.890 1.00 0.00 C ATOM 0 H VAL A 83 -17.133 2.783 -6.184 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.321 2.106 -4.279 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.365 3.872 -2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.655 2.349 -1.834 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.129 1.472 -2.309 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.662 1.354 -3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.929 4.335 -2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.841 3.463 -4.542 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.800 4.957 -4.415 1.00 0.00 H new