USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 982 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 62 TYR OH : rot 180:sc= -2.79! USER MOD Set 1.2: A 79 HIS : no HD1:sc= -0.768 K(o=-3.6,f=-4.8) USER MOD Set 2.1: A 71 SER OG : rot 180:sc= -0.614 USER MOD Set 2.2: A 73 THR OG1 : rot 180:sc=0.000666 USER MOD Set 3.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0.00655 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -1.23 F(o=-6!,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 18 THR OG1 : rot 89:sc= 1.25 USER MOD Single : A 20 TYR OH : rot 87:sc= 0.186 USER MOD Single : A 22 LYS NZ :NH3+ -127:sc= -1.76! (180deg=-4.28!) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.18 F(o=-1.3,f=-0.18) USER MOD Single : A 32 SER OG : rot 180:sc= 0.022 USER MOD Single : A 33 TYR OH : rot 79:sc= 1.31 USER MOD Single : A 35 THR OG1 : rot -8:sc= 1.23 USER MOD Single : A 40 HIS : no HE2:sc= 1.15 K(o=1.1,f=-3.7!) USER MOD Single : A 44 THR OG1 : rot -103:sc= -0.575 USER MOD Single : A 47 SER OG : rot -43:sc= 0.171 USER MOD Single : A 51 LYS NZ :NH3+ -170:sc= 0.634 (180deg=0.49) USER MOD Single : A 52 LYS NZ :NH3+ 168:sc= -0.0565 (180deg=-0.279) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.475 K(o=-0.47,f=-1.2) USER MOD Single : A 64 SER OG : rot 78:sc= 1.04 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0.477 K(o=0.48,f=-4.1!) USER MOD Single : A 86 MET CE :methyl -106:sc=-0.00869 (180deg=-1.57!) USER MOD Single : A 87 SER OG : rot 95:sc= 1.22 USER MOD Single : A 88 GLN : amide:sc= 1.14 K(o=1.1,f=-0.13) USER MOD Single : A 92 SER OG : rot -35:sc= 0.309 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.339 K(o=-0.34,f=-5.2!) USER MOD Single : A 100 THR OG1 : rot -132:sc= -1.38 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.454 X(o=-0.45,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0.84 K(o=0.84,f=-3.1!) USER MOD Single : A 114 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=-0.00022) USER MOD Single : A 115 HIS :FLIP no HD1:sc= 0.343 F(o=-1.3,f=0.34) USER MOD Single : A 116 HIS : no HE2:sc= -0.521! C(o=-0.52!,f=-5.8!) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.482 31.163 -6.794 1.00 0.00 N ATOM 2 CA MET A 1 -2.493 30.515 -5.903 1.00 0.00 C ATOM 3 C MET A 1 -2.126 29.134 -6.432 1.00 0.00 C ATOM 4 O MET A 1 -0.949 28.829 -6.626 1.00 0.00 O ATOM 5 CB MET A 1 -3.056 30.394 -4.487 1.00 0.00 C ATOM 6 CG MET A 1 -2.054 29.868 -3.473 1.00 0.00 C ATOM 7 SD MET A 1 -0.612 30.938 -3.309 1.00 0.00 S ATOM 8 CE MET A 1 0.294 30.091 -2.018 1.00 0.00 C ATOM 0 H1 MET A 1 -3.722 32.103 -6.420 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.078 31.262 -7.747 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.342 30.579 -6.841 1.00 0.00 H new ATOM 0 HA MET A 1 -1.596 31.133 -5.877 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.409 31.372 -4.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.922 29.732 -4.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.541 29.769 -2.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.730 28.871 -3.770 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.215 30.634 -1.803 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.317 30.042 -1.117 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.537 29.081 -2.347 1.00 0.00 H new ATOM 20 N ILE A 2 -3.148 28.312 -6.673 1.00 0.00 N ATOM 21 CA ILE A 2 -2.969 26.942 -7.150 1.00 0.00 C ATOM 22 C ILE A 2 -2.187 26.116 -6.133 1.00 0.00 C ATOM 23 O ILE A 2 -0.954 26.106 -6.123 1.00 0.00 O ATOM 24 CB ILE A 2 -2.269 26.881 -8.530 1.00 0.00 C ATOM 25 CG1 ILE A 2 -3.076 27.659 -9.576 1.00 0.00 C ATOM 26 CG2 ILE A 2 -2.089 25.438 -8.979 1.00 0.00 C ATOM 27 CD1 ILE A 2 -4.486 27.142 -9.776 1.00 0.00 C ATOM 0 H ILE A 2 -4.124 28.579 -6.543 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.967 26.520 -7.271 1.00 0.00 H new ATOM 0 HB ILE A 2 -1.285 27.340 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.123 28.706 -9.278 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.548 27.622 -10.529 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -1.595 25.418 -9.951 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -1.479 24.904 -8.251 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -3.064 24.957 -9.058 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -4.991 27.745 -10.531 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.449 26.104 -10.105 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.034 27.205 -8.836 1.00 0.00 H new ATOM 39 N GLU A 3 -2.915 25.437 -5.268 1.00 0.00 N ATOM 40 CA GLU A 3 -2.309 24.620 -4.234 1.00 0.00 C ATOM 41 C GLU A 3 -1.918 23.268 -4.818 1.00 0.00 C ATOM 42 O GLU A 3 -2.522 22.822 -5.796 1.00 0.00 O ATOM 43 CB GLU A 3 -3.281 24.408 -3.063 1.00 0.00 C ATOM 44 CG GLU A 3 -3.778 25.688 -2.400 1.00 0.00 C ATOM 45 CD GLU A 3 -4.773 26.453 -3.253 1.00 0.00 C ATOM 46 OE1 GLU A 3 -5.852 25.904 -3.555 1.00 0.00 O ATOM 47 OE2 GLU A 3 -4.484 27.607 -3.619 1.00 0.00 O ATOM 0 H GLU A 3 -3.935 25.435 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.424 25.135 -3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.142 23.845 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.790 23.793 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.242 25.439 -1.446 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.926 26.331 -2.181 1.00 0.00 H new ATOM 54 N PRO A 4 -0.896 22.612 -4.248 1.00 0.00 N ATOM 55 CA PRO A 4 -0.502 21.262 -4.660 1.00 0.00 C ATOM 56 C PRO A 4 -1.667 20.283 -4.534 1.00 0.00 C ATOM 57 O PRO A 4 -2.280 20.165 -3.471 1.00 0.00 O ATOM 58 CB PRO A 4 0.628 20.890 -3.685 1.00 0.00 C ATOM 59 CG PRO A 4 0.528 21.875 -2.569 1.00 0.00 C ATOM 60 CD PRO A 4 -0.042 23.127 -3.170 1.00 0.00 C ATOM 0 HA PRO A 4 -0.191 21.222 -5.704 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.512 19.870 -3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.602 20.946 -4.172 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -0.113 21.498 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 4 1.506 22.065 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -0.613 23.702 -2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 4 0.739 23.784 -3.552 1.00 0.00 H new ATOM 68 N SER A 5 -1.988 19.604 -5.625 1.00 0.00 N ATOM 69 CA SER A 5 -3.109 18.684 -5.639 1.00 0.00 C ATOM 70 C SER A 5 -2.764 17.383 -4.921 1.00 0.00 C ATOM 71 O SER A 5 -1.590 17.025 -4.788 1.00 0.00 O ATOM 72 CB SER A 5 -3.545 18.409 -7.080 1.00 0.00 C ATOM 73 OG SER A 5 -2.443 18.036 -7.892 1.00 0.00 O ATOM 0 H SER A 5 -1.487 19.675 -6.510 1.00 0.00 H new ATOM 0 HA SER A 5 -3.938 19.146 -5.103 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.292 17.615 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.020 19.299 -7.494 1.00 0.00 H new ATOM 0 HG SER A 5 -2.753 17.865 -8.806 1.00 0.00 H new ATOM 79 N LYS A 6 -3.790 16.694 -4.441 1.00 0.00 N ATOM 80 CA LYS A 6 -3.616 15.420 -3.762 1.00 0.00 C ATOM 81 C LYS A 6 -3.223 14.342 -4.770 1.00 0.00 C ATOM 82 O LYS A 6 -4.075 13.770 -5.454 1.00 0.00 O ATOM 83 CB LYS A 6 -4.908 15.049 -3.028 1.00 0.00 C ATOM 84 CG LYS A 6 -4.818 13.796 -2.170 1.00 0.00 C ATOM 85 CD LYS A 6 -6.053 13.659 -1.293 1.00 0.00 C ATOM 86 CE LYS A 6 -6.122 14.770 -0.251 1.00 0.00 C ATOM 87 NZ LYS A 6 -7.452 14.839 0.412 1.00 0.00 N ATOM 0 H LYS A 6 -4.760 17.001 -4.511 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.815 15.502 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.202 15.886 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.701 14.912 -3.764 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.719 12.918 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.925 13.839 -1.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.948 13.686 -1.915 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.041 12.690 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.351 14.607 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.906 15.726 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.452 15.608 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.187 15.020 -0.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.649 13.937 0.890 1.00 0.00 H new ATOM 101 N ILE A 7 -1.925 14.099 -4.877 1.00 0.00 N ATOM 102 CA ILE A 7 -1.394 13.193 -5.885 1.00 0.00 C ATOM 103 C ILE A 7 -0.543 12.075 -5.267 1.00 0.00 C ATOM 104 O ILE A 7 -0.710 10.901 -5.609 1.00 0.00 O ATOM 105 CB ILE A 7 -0.570 13.978 -6.943 1.00 0.00 C ATOM 106 CG1 ILE A 7 0.079 13.025 -7.947 1.00 0.00 C ATOM 107 CG2 ILE A 7 0.483 14.860 -6.278 1.00 0.00 C ATOM 108 CD1 ILE A 7 0.858 13.727 -9.041 1.00 0.00 C ATOM 0 H ILE A 7 -1.217 14.519 -4.275 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.246 12.721 -6.375 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.258 14.627 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.748 12.350 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.696 12.410 -8.403 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.044 15.397 -7.043 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.006 15.576 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.165 14.238 -5.698 1.00 0.00 H new ATOM 0 HD11 ILE A 7 1.289 12.986 -9.714 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.190 14.381 -9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.657 14.320 -8.596 1.00 0.00 H new ATOM 120 N THR A 8 0.356 12.434 -4.357 1.00 0.00 N ATOM 121 CA THR A 8 1.255 11.468 -3.744 1.00 0.00 C ATOM 122 C THR A 8 0.553 10.703 -2.624 1.00 0.00 C ATOM 123 O THR A 8 -0.275 11.264 -1.901 1.00 0.00 O ATOM 124 CB THR A 8 2.501 12.166 -3.174 1.00 0.00 C ATOM 125 OG1 THR A 8 2.868 13.261 -4.022 1.00 0.00 O ATOM 126 CG2 THR A 8 3.672 11.201 -3.069 1.00 0.00 C ATOM 0 H THR A 8 0.480 13.391 -4.028 1.00 0.00 H new ATOM 0 HA THR A 8 1.559 10.766 -4.521 1.00 0.00 H new ATOM 0 HB THR A 8 2.260 12.528 -2.175 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.661 13.706 -3.657 1.00 0.00 H new ATOM 0 HG21 THR A 8 4.538 11.723 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.405 10.375 -2.410 1.00 0.00 H new ATOM 0 HG23 THR A 8 3.913 10.813 -4.058 1.00 0.00 H new ATOM 134 N VAL A 9 0.913 9.435 -2.469 1.00 0.00 N ATOM 135 CA VAL A 9 0.254 8.554 -1.510 1.00 0.00 C ATOM 136 C VAL A 9 0.597 8.940 -0.076 1.00 0.00 C ATOM 137 O VAL A 9 -0.293 9.143 0.749 1.00 0.00 O ATOM 138 CB VAL A 9 0.641 7.077 -1.741 1.00 0.00 C ATOM 139 CG1 VAL A 9 -0.115 6.163 -0.785 1.00 0.00 C ATOM 140 CG2 VAL A 9 0.385 6.673 -3.183 1.00 0.00 C ATOM 0 H VAL A 9 1.663 8.990 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.819 8.669 -1.665 1.00 0.00 H new ATOM 0 HB VAL A 9 1.707 6.971 -1.541 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.174 5.128 -0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.127 6.432 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.187 6.274 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.665 5.629 -3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.673 6.800 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.979 7.300 -3.848 1.00 0.00 H new ATOM 150 N GLU A 10 1.889 9.070 0.211 1.00 0.00 N ATOM 151 CA GLU A 10 2.346 9.355 1.569 1.00 0.00 C ATOM 152 C GLU A 10 1.827 10.706 2.065 1.00 0.00 C ATOM 153 O GLU A 10 1.753 10.949 3.269 1.00 0.00 O ATOM 154 CB GLU A 10 3.875 9.321 1.636 1.00 0.00 C ATOM 155 CG GLU A 10 4.557 10.343 0.741 1.00 0.00 C ATOM 156 CD GLU A 10 6.061 10.355 0.914 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.536 10.844 1.960 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.774 9.870 0.014 1.00 0.00 O ATOM 0 H GLU A 10 2.637 8.983 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 10 1.943 8.581 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.187 9.490 2.667 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.218 8.324 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.316 10.127 -0.300 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.162 11.335 0.961 1.00 0.00 H new ATOM 165 N GLN A 11 1.450 11.575 1.132 1.00 0.00 N ATOM 166 CA GLN A 11 0.960 12.899 1.484 1.00 0.00 C ATOM 167 C GLN A 11 -0.396 12.813 2.174 1.00 0.00 C ATOM 168 O GLN A 11 -0.566 13.321 3.283 1.00 0.00 O ATOM 169 CB GLN A 11 0.865 13.792 0.243 1.00 0.00 C ATOM 170 CG GLN A 11 2.205 14.053 -0.436 1.00 0.00 C ATOM 171 CD GLN A 11 3.131 14.985 0.338 1.00 0.00 C ATOM 172 OE1 GLN A 11 3.036 14.985 1.659 1.00 0.00 O flip ATOM 173 NE2 GLN A 11 3.933 15.703 -0.258 1.00 0.00 N flip ATOM 0 H GLN A 11 1.475 11.385 0.130 1.00 0.00 H new ATOM 0 HA GLN A 11 1.673 13.343 2.179 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.189 13.328 -0.475 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.421 14.746 0.527 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.713 13.101 -0.589 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.022 14.479 -1.422 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.980 15.679 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.550 16.323 0.267 1.00 0.00 H new ATOM 182 N TRP A 12 -1.358 12.157 1.533 1.00 0.00 N ATOM 183 CA TRP A 12 -2.681 12.029 2.125 1.00 0.00 C ATOM 184 C TRP A 12 -2.671 10.976 3.225 1.00 0.00 C ATOM 185 O TRP A 12 -3.508 11.006 4.120 1.00 0.00 O ATOM 186 CB TRP A 12 -3.762 11.722 1.072 1.00 0.00 C ATOM 187 CG TRP A 12 -3.611 10.411 0.359 1.00 0.00 C ATOM 188 CD1 TRP A 12 -2.900 10.179 -0.781 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.210 9.160 0.720 1.00 0.00 C ATOM 190 NE1 TRP A 12 -3.006 8.859 -1.143 1.00 0.00 N ATOM 191 CE2 TRP A 12 -3.805 8.212 -0.238 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.041 8.747 1.765 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -4.206 6.880 -0.184 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -5.440 7.424 1.818 1.00 0.00 C ATOM 195 CH2 TRP A 12 -5.023 6.504 0.849 1.00 0.00 C ATOM 0 H TRP A 12 -1.249 11.714 0.621 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.938 12.992 2.567 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -4.736 11.741 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.761 12.522 0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.336 10.925 -1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.562 8.430 -1.955 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.366 9.449 2.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -3.884 6.168 -0.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -6.084 7.095 2.620 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -5.352 5.478 0.917 1.00 0.00 H new ATOM 206 N LEU A 13 -1.704 10.064 3.163 1.00 0.00 N ATOM 207 CA LEU A 13 -1.526 9.063 4.209 1.00 0.00 C ATOM 208 C LEU A 13 -1.201 9.741 5.538 1.00 0.00 C ATOM 209 O LEU A 13 -1.776 9.405 6.576 1.00 0.00 O ATOM 210 CB LEU A 13 -0.404 8.086 3.836 1.00 0.00 C ATOM 211 CG LEU A 13 -0.807 6.610 3.765 1.00 0.00 C ATOM 212 CD1 LEU A 13 -1.440 6.158 5.073 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.753 6.364 2.599 1.00 0.00 C ATOM 0 H LEU A 13 -1.032 9.998 2.399 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.457 8.505 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.002 8.380 2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.400 8.190 4.564 1.00 0.00 H new ATOM 0 HG LEU A 13 0.096 6.021 3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.718 5.107 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.726 6.288 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.330 6.755 5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.026 5.309 2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.652 6.968 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.260 6.639 1.666 1.00 0.00 H new ATOM 225 N ASN A 14 -0.282 10.706 5.491 1.00 0.00 N ATOM 226 CA ASN A 14 0.109 11.464 6.678 1.00 0.00 C ATOM 227 C ASN A 14 -1.092 12.186 7.278 1.00 0.00 C ATOM 228 O ASN A 14 -1.342 12.108 8.484 1.00 0.00 O ATOM 229 CB ASN A 14 1.199 12.482 6.326 1.00 0.00 C ATOM 230 CG ASN A 14 1.619 13.331 7.517 1.00 0.00 C ATOM 231 OD1 ASN A 14 1.623 12.869 8.659 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.972 14.583 7.262 1.00 0.00 N ATOM 0 H ASN A 14 0.207 10.981 4.639 1.00 0.00 H new ATOM 0 HA ASN A 14 0.500 10.761 7.414 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.070 11.955 5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.838 13.134 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.259 15.197 8.024 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.957 14.932 6.304 1.00 0.00 H new ATOM 239 N ARG A 15 -1.846 12.874 6.430 1.00 0.00 N ATOM 240 CA ARG A 15 -3.013 13.615 6.885 1.00 0.00 C ATOM 241 C ARG A 15 -4.087 12.662 7.402 1.00 0.00 C ATOM 242 O ARG A 15 -4.739 12.944 8.407 1.00 0.00 O ATOM 243 CB ARG A 15 -3.582 14.489 5.757 1.00 0.00 C ATOM 244 CG ARG A 15 -4.832 15.260 6.164 1.00 0.00 C ATOM 245 CD ARG A 15 -4.551 16.192 7.330 1.00 0.00 C ATOM 246 NE ARG A 15 -5.777 16.670 7.965 1.00 0.00 N ATOM 247 CZ ARG A 15 -5.811 17.275 9.151 1.00 0.00 C ATOM 248 NH1 ARG A 15 -4.684 17.522 9.808 1.00 0.00 N ATOM 249 NH2 ARG A 15 -6.977 17.634 9.678 1.00 0.00 N ATOM 0 H ARG A 15 -1.670 12.934 5.427 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.699 14.266 7.701 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -2.817 15.195 5.433 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.816 13.857 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.199 15.837 5.315 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.621 14.559 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -3.940 15.673 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.970 17.045 6.979 1.00 0.00 H new ATOM 0 HE ARG A 15 -6.659 16.532 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.788 17.248 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.714 17.986 10.716 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.844 17.446 9.174 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.005 18.097 10.586 1.00 0.00 H new ATOM 263 N TRP A 16 -4.244 11.530 6.723 1.00 0.00 N ATOM 264 CA TRP A 16 -5.261 10.545 7.073 1.00 0.00 C ATOM 265 C TRP A 16 -5.129 10.119 8.531 1.00 0.00 C ATOM 266 O TRP A 16 -6.066 10.265 9.315 1.00 0.00 O ATOM 267 CB TRP A 16 -5.147 9.318 6.162 1.00 0.00 C ATOM 268 CG TRP A 16 -6.325 8.395 6.235 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.544 7.409 7.155 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.443 8.367 5.341 1.00 0.00 C ATOM 271 NE1 TRP A 16 -7.732 6.774 6.888 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.302 7.343 5.780 1.00 0.00 C ATOM 273 CE3 TRP A 16 -7.801 9.109 4.214 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -9.494 7.043 5.131 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -8.988 8.812 3.571 1.00 0.00 C ATOM 276 CH2 TRP A 16 -9.822 7.785 4.031 1.00 0.00 C ATOM 0 H TRP A 16 -3.673 11.271 5.919 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.239 11.006 6.934 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.024 9.653 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.247 8.764 6.427 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -5.881 7.165 7.972 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.126 6.003 7.427 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.162 9.901 3.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.138 6.251 5.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.277 9.381 2.700 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -10.742 7.575 3.506 1.00 0.00 H new ATOM 287 N LEU A 17 -3.955 9.615 8.895 1.00 0.00 N ATOM 288 CA LEU A 17 -3.731 9.120 10.247 1.00 0.00 C ATOM 289 C LEU A 17 -3.806 10.253 11.272 1.00 0.00 C ATOM 290 O LEU A 17 -4.178 10.032 12.420 1.00 0.00 O ATOM 291 CB LEU A 17 -2.390 8.367 10.334 1.00 0.00 C ATOM 292 CG LEU A 17 -1.133 9.148 9.924 1.00 0.00 C ATOM 293 CD1 LEU A 17 -0.587 9.970 11.083 1.00 0.00 C ATOM 294 CD2 LEU A 17 -0.071 8.194 9.395 1.00 0.00 C ATOM 0 H LEU A 17 -3.148 9.539 8.276 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.527 8.415 10.487 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.258 8.024 11.360 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.458 7.478 9.707 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.410 9.842 9.130 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.302 10.510 10.759 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.344 10.682 11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.328 9.307 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.815 8.759 9.108 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.193 7.476 10.172 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.460 7.662 8.526 1.00 0.00 H new ATOM 306 N THR A 18 -3.483 11.468 10.844 1.00 0.00 N ATOM 307 CA THR A 18 -3.507 12.617 11.741 1.00 0.00 C ATOM 308 C THR A 18 -4.942 13.058 12.032 1.00 0.00 C ATOM 309 O THR A 18 -5.322 13.267 13.185 1.00 0.00 O ATOM 310 CB THR A 18 -2.719 13.804 11.147 1.00 0.00 C ATOM 311 OG1 THR A 18 -1.384 13.394 10.819 1.00 0.00 O ATOM 312 CG2 THR A 18 -2.665 14.966 12.130 1.00 0.00 C ATOM 0 H THR A 18 -3.203 11.682 9.887 1.00 0.00 H new ATOM 0 HA THR A 18 -3.034 12.307 12.673 1.00 0.00 H new ATOM 0 HB THR A 18 -3.232 14.133 10.244 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.363 13.052 9.901 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.105 15.790 11.689 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.678 15.297 12.358 1.00 0.00 H new ATOM 0 HG23 THR A 18 -2.174 14.644 13.048 1.00 0.00 H new ATOM 320 N ASP A 19 -5.735 13.177 10.977 1.00 0.00 N ATOM 321 CA ASP A 19 -7.100 13.667 11.095 1.00 0.00 C ATOM 322 C ASP A 19 -8.018 12.616 11.706 1.00 0.00 C ATOM 323 O ASP A 19 -8.774 12.903 12.636 1.00 0.00 O ATOM 324 CB ASP A 19 -7.624 14.088 9.721 1.00 0.00 C ATOM 325 CG ASP A 19 -9.058 14.568 9.769 1.00 0.00 C ATOM 326 OD1 ASP A 19 -9.295 15.711 10.212 1.00 0.00 O ATOM 327 OD2 ASP A 19 -9.957 13.806 9.356 1.00 0.00 O ATOM 0 H ASP A 19 -5.455 12.940 10.025 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.092 14.531 11.760 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.992 14.882 9.322 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -7.549 13.245 9.034 1.00 0.00 H new ATOM 332 N TYR A 20 -7.926 11.391 11.200 1.00 0.00 N ATOM 333 CA TYR A 20 -8.815 10.317 11.627 1.00 0.00 C ATOM 334 C TYR A 20 -8.504 9.842 13.043 1.00 0.00 C ATOM 335 O TYR A 20 -9.360 9.248 13.699 1.00 0.00 O ATOM 336 CB TYR A 20 -8.750 9.145 10.648 1.00 0.00 C ATOM 337 CG TYR A 20 -9.532 9.381 9.373 1.00 0.00 C ATOM 338 CD1 TYR A 20 -9.114 10.313 8.430 1.00 0.00 C ATOM 339 CD2 TYR A 20 -10.693 8.666 9.116 1.00 0.00 C ATOM 340 CE1 TYR A 20 -9.835 10.528 7.270 1.00 0.00 C ATOM 341 CE2 TYR A 20 -11.418 8.874 7.960 1.00 0.00 C ATOM 342 CZ TYR A 20 -10.984 9.804 7.041 1.00 0.00 C ATOM 343 OH TYR A 20 -11.706 10.009 5.888 1.00 0.00 O ATOM 0 H TYR A 20 -7.244 11.117 10.493 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.827 10.721 11.633 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -7.708 8.950 10.395 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.132 8.250 11.139 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.211 10.879 8.606 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.035 7.934 9.833 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.500 11.258 6.549 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.321 8.310 7.777 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.349 9.441 5.173 1.00 0.00 H new ATOM 353 N ALA A 21 -7.288 10.101 13.520 1.00 0.00 N ATOM 354 CA ALA A 21 -6.927 9.760 14.894 1.00 0.00 C ATOM 355 C ALA A 21 -7.736 10.581 15.892 1.00 0.00 C ATOM 356 O ALA A 21 -7.885 10.188 17.051 1.00 0.00 O ATOM 357 CB ALA A 21 -5.442 9.968 15.131 1.00 0.00 C ATOM 0 H ALA A 21 -6.542 10.542 12.981 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.160 8.706 15.045 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.198 9.707 16.161 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.873 9.334 14.452 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.188 11.012 14.951 1.00 0.00 H new ATOM 363 N LYS A 22 -8.255 11.719 15.421 1.00 0.00 N ATOM 364 CA LYS A 22 -9.083 12.607 16.231 1.00 0.00 C ATOM 365 C LYS A 22 -8.260 13.264 17.338 1.00 0.00 C ATOM 366 O LYS A 22 -8.098 12.710 18.426 1.00 0.00 O ATOM 367 CB LYS A 22 -10.277 11.843 16.814 1.00 0.00 C ATOM 368 CG LYS A 22 -11.167 12.670 17.723 1.00 0.00 C ATOM 369 CD LYS A 22 -12.253 11.824 18.376 1.00 0.00 C ATOM 370 CE LYS A 22 -11.680 10.761 19.310 1.00 0.00 C ATOM 371 NZ LYS A 22 -11.192 9.553 18.585 1.00 0.00 N ATOM 0 H LYS A 22 -8.111 12.047 14.466 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.466 13.399 15.587 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.879 11.453 15.993 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.905 10.984 17.373 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.559 13.141 18.496 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.629 13.472 17.147 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.926 12.472 18.937 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.848 11.340 17.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.858 11.192 19.882 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.445 10.464 20.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.629 8.702 18.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.448 9.624 17.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.158 9.488 18.675 1.00 0.00 H new ATOM 385 N PRO A 23 -7.723 14.464 17.063 1.00 0.00 N ATOM 386 CA PRO A 23 -6.872 15.200 18.008 1.00 0.00 C ATOM 387 C PRO A 23 -7.646 15.745 19.212 1.00 0.00 C ATOM 388 O PRO A 23 -7.073 16.410 20.076 1.00 0.00 O ATOM 389 CB PRO A 23 -6.313 16.362 17.174 1.00 0.00 C ATOM 390 CG PRO A 23 -6.641 16.039 15.755 1.00 0.00 C ATOM 391 CD PRO A 23 -7.882 15.200 15.801 1.00 0.00 C ATOM 0 HA PRO A 23 -6.107 14.550 18.433 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.762 17.309 17.473 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.237 16.461 17.314 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.805 16.948 15.175 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.823 15.500 15.278 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.785 15.811 15.799 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.949 14.528 14.945 1.00 0.00 H new ATOM 399 N HIS A 24 -8.946 15.473 19.263 1.00 0.00 N ATOM 400 CA HIS A 24 -9.773 15.919 20.380 1.00 0.00 C ATOM 401 C HIS A 24 -9.540 15.032 21.600 1.00 0.00 C ATOM 402 O HIS A 24 -9.833 15.423 22.727 1.00 0.00 O ATOM 403 CB HIS A 24 -11.258 15.917 20.001 1.00 0.00 C ATOM 404 CG HIS A 24 -12.132 16.597 21.014 1.00 0.00 C ATOM 405 ND1 HIS A 24 -12.163 17.965 21.175 1.00 0.00 N ATOM 406 CD2 HIS A 24 -12.995 16.093 21.931 1.00 0.00 C ATOM 407 CE1 HIS A 24 -13.005 18.274 22.143 1.00 0.00 C ATOM 408 NE2 HIS A 24 -13.521 17.157 22.617 1.00 0.00 N ATOM 0 H HIS A 24 -9.449 14.948 18.547 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.486 16.941 20.625 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -11.380 16.411 19.037 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.592 14.887 19.876 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -13.225 15.050 22.091 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.233 19.272 22.488 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.203 17.095 23.373 1.00 0.00 H new ATOM 417 N LEU A 25 -9.015 13.840 21.361 1.00 0.00 N ATOM 418 CA LEU A 25 -8.683 12.922 22.440 1.00 0.00 C ATOM 419 C LEU A 25 -7.250 12.448 22.290 1.00 0.00 C ATOM 420 O LEU A 25 -6.717 12.402 21.181 1.00 0.00 O ATOM 421 CB LEU A 25 -9.632 11.718 22.462 1.00 0.00 C ATOM 422 CG LEU A 25 -11.071 12.023 22.879 1.00 0.00 C ATOM 423 CD1 LEU A 25 -11.900 10.749 22.890 1.00 0.00 C ATOM 424 CD2 LEU A 25 -11.102 12.683 24.248 1.00 0.00 C ATOM 0 H LEU A 25 -8.809 13.485 20.427 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.795 13.455 23.384 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.647 11.271 21.468 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.226 10.969 23.142 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.500 12.713 22.153 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.922 10.982 23.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.905 10.310 21.893 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.468 10.040 23.597 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.134 12.892 24.528 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.655 12.015 24.984 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -10.539 13.616 24.215 1.00 0.00 H new ATOM 436 N ARG A 26 -6.629 12.104 23.406 1.00 0.00 N ATOM 437 CA ARG A 26 -5.243 11.663 23.398 1.00 0.00 C ATOM 438 C ARG A 26 -5.181 10.144 23.320 1.00 0.00 C ATOM 439 O ARG A 26 -5.778 9.461 24.154 1.00 0.00 O ATOM 440 CB ARG A 26 -4.523 12.149 24.657 1.00 0.00 C ATOM 441 CG ARG A 26 -4.755 13.619 24.972 1.00 0.00 C ATOM 442 CD ARG A 26 -4.302 14.525 23.838 1.00 0.00 C ATOM 443 NE ARG A 26 -2.849 14.524 23.667 1.00 0.00 N ATOM 444 CZ ARG A 26 -2.131 15.624 23.448 1.00 0.00 C ATOM 445 NH1 ARG A 26 -2.723 16.813 23.448 1.00 0.00 N ATOM 446 NH2 ARG A 26 -0.825 15.538 23.243 1.00 0.00 N ATOM 0 H ARG A 26 -7.062 12.121 24.329 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.747 12.086 22.525 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.852 11.550 25.506 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.453 11.977 24.541 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.815 13.785 25.167 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.218 13.883 25.883 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.774 14.204 22.910 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.641 15.542 24.032 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.359 13.631 23.718 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.727 16.883 23.616 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.174 17.656 23.280 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.366 14.627 23.253 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.278 16.383 23.076 1.00 0.00 H new ATOM 460 N GLN A 27 -4.468 9.632 22.314 1.00 0.00 N ATOM 461 CA GLN A 27 -4.329 8.189 22.099 1.00 0.00 C ATOM 462 C GLN A 27 -5.662 7.538 21.736 1.00 0.00 C ATOM 463 O GLN A 27 -6.509 7.289 22.597 1.00 0.00 O ATOM 464 CB GLN A 27 -3.718 7.503 23.327 1.00 0.00 C ATOM 465 CG GLN A 27 -2.222 7.728 23.471 1.00 0.00 C ATOM 466 CD GLN A 27 -1.421 7.059 22.369 1.00 0.00 C ATOM 467 OE1 GLN A 27 -1.901 5.921 21.881 1.00 0.00 O flip ATOM 468 NE2 GLN A 27 -0.367 7.552 21.968 1.00 0.00 N flip ATOM 0 H GLN A 27 -3.973 10.202 21.628 1.00 0.00 H new ATOM 0 HA GLN A 27 -3.652 8.057 21.255 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.219 7.868 24.223 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.911 6.432 23.268 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -2.017 8.799 23.465 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.893 7.346 24.437 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -0.030 8.428 22.367 1.00 0.00 H new ATOM 0 HE22 GLN A 27 0.169 7.085 21.237 1.00 0.00 H new ATOM 477 N SER A 28 -5.843 7.270 20.452 1.00 0.00 N ATOM 478 CA SER A 28 -7.041 6.599 19.977 1.00 0.00 C ATOM 479 C SER A 28 -6.852 5.083 20.057 1.00 0.00 C ATOM 480 O SER A 28 -7.411 4.427 20.937 1.00 0.00 O ATOM 481 CB SER A 28 -7.354 7.040 18.539 1.00 0.00 C ATOM 482 OG SER A 28 -8.584 6.501 18.082 1.00 0.00 O ATOM 0 H SER A 28 -5.174 7.508 19.720 1.00 0.00 H new ATOM 0 HA SER A 28 -7.886 6.874 20.609 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.394 8.128 18.492 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.549 6.722 17.877 1.00 0.00 H new ATOM 0 HG SER A 28 -8.753 6.803 17.165 1.00 0.00 H new ATOM 488 N THR A 29 -6.034 4.547 19.157 1.00 0.00 N ATOM 489 CA THR A 29 -5.737 3.121 19.114 1.00 0.00 C ATOM 490 C THR A 29 -4.335 2.900 18.550 1.00 0.00 C ATOM 491 O THR A 29 -3.813 3.766 17.843 1.00 0.00 O ATOM 492 CB THR A 29 -6.758 2.365 18.234 1.00 0.00 C ATOM 493 OG1 THR A 29 -7.069 3.141 17.066 1.00 0.00 O ATOM 494 CG2 THR A 29 -8.037 2.055 18.999 1.00 0.00 C ATOM 0 H THR A 29 -5.558 5.090 18.437 1.00 0.00 H new ATOM 0 HA THR A 29 -5.797 2.735 20.132 1.00 0.00 H new ATOM 0 HB THR A 29 -6.304 1.419 17.938 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.715 2.655 16.513 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.731 1.523 18.348 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.802 1.434 19.864 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.495 2.986 19.334 1.00 0.00 H new ATOM 502 N TRP A 30 -3.725 1.758 18.847 1.00 0.00 N ATOM 503 CA TRP A 30 -2.416 1.443 18.292 1.00 0.00 C ATOM 504 C TRP A 30 -2.563 0.530 17.077 1.00 0.00 C ATOM 505 O TRP A 30 -2.533 -0.698 17.176 1.00 0.00 O ATOM 506 CB TRP A 30 -1.462 0.843 19.344 1.00 0.00 C ATOM 507 CG TRP A 30 -2.046 -0.247 20.202 1.00 0.00 C ATOM 508 CD1 TRP A 30 -2.202 -1.564 19.873 1.00 0.00 C ATOM 509 CD2 TRP A 30 -2.513 -0.114 21.548 1.00 0.00 C ATOM 510 NE1 TRP A 30 -2.754 -2.253 20.923 1.00 0.00 N ATOM 511 CE2 TRP A 30 -2.951 -1.385 21.966 1.00 0.00 C ATOM 512 CE3 TRP A 30 -2.605 0.958 22.442 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -3.478 -1.609 23.235 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -3.127 0.733 23.701 1.00 0.00 C ATOM 515 CH2 TRP A 30 -3.553 -0.542 24.089 1.00 0.00 C ATOM 0 H TRP A 30 -4.112 1.042 19.462 1.00 0.00 H new ATOM 0 HA TRP A 30 -1.959 2.378 17.967 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -0.586 0.447 18.831 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -1.115 1.646 19.994 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.930 -2.000 18.923 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -2.981 -3.247 20.927 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -2.274 1.944 22.153 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -3.816 -2.590 23.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.208 1.555 24.397 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -3.949 -0.687 25.083 1.00 0.00 H new ATOM 526 N GLU A 31 -2.762 1.146 15.925 1.00 0.00 N ATOM 527 CA GLU A 31 -2.979 0.411 14.693 1.00 0.00 C ATOM 528 C GLU A 31 -1.666 -0.155 14.163 1.00 0.00 C ATOM 529 O GLU A 31 -0.809 0.575 13.661 1.00 0.00 O ATOM 530 CB GLU A 31 -3.646 1.321 13.661 1.00 0.00 C ATOM 531 CG GLU A 31 -4.939 1.936 14.171 1.00 0.00 C ATOM 532 CD GLU A 31 -5.603 2.836 13.153 1.00 0.00 C ATOM 533 OE1 GLU A 31 -5.277 4.041 13.113 1.00 0.00 O ATOM 534 OE2 GLU A 31 -6.459 2.344 12.395 1.00 0.00 O ATOM 0 H GLU A 31 -2.778 2.160 15.818 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.641 -0.431 14.893 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.955 2.117 13.383 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.853 0.748 12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.629 1.140 14.450 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.731 2.509 15.075 1.00 0.00 H new ATOM 541 N SER A 32 -1.514 -1.465 14.294 1.00 0.00 N ATOM 542 CA SER A 32 -0.295 -2.155 13.894 1.00 0.00 C ATOM 543 C SER A 32 -0.130 -2.145 12.377 1.00 0.00 C ATOM 544 O SER A 32 0.976 -1.973 11.860 1.00 0.00 O ATOM 545 CB SER A 32 -0.337 -3.592 14.412 1.00 0.00 C ATOM 546 OG SER A 32 -1.581 -4.191 14.091 1.00 0.00 O ATOM 0 H SER A 32 -2.231 -2.079 14.680 1.00 0.00 H new ATOM 0 HA SER A 32 0.560 -1.634 14.324 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.477 -4.169 13.973 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.188 -3.602 15.492 1.00 0.00 H new ATOM 0 HG SER A 32 -1.597 -5.112 14.426 1.00 0.00 H new ATOM 552 N TYR A 33 -1.243 -2.308 11.670 1.00 0.00 N ATOM 553 CA TYR A 33 -1.227 -2.371 10.214 1.00 0.00 C ATOM 554 C TYR A 33 -0.851 -1.026 9.602 1.00 0.00 C ATOM 555 O TYR A 33 -0.493 -0.949 8.430 1.00 0.00 O ATOM 556 CB TYR A 33 -2.575 -2.871 9.679 1.00 0.00 C ATOM 557 CG TYR A 33 -3.768 -1.994 10.010 1.00 0.00 C ATOM 558 CD1 TYR A 33 -4.318 -1.979 11.286 1.00 0.00 C ATOM 559 CD2 TYR A 33 -4.358 -1.201 9.034 1.00 0.00 C ATOM 560 CE1 TYR A 33 -5.419 -1.199 11.579 1.00 0.00 C ATOM 561 CE2 TYR A 33 -5.456 -0.415 9.319 1.00 0.00 C ATOM 562 CZ TYR A 33 -5.983 -0.417 10.593 1.00 0.00 C ATOM 563 OH TYR A 33 -7.089 0.352 10.875 1.00 0.00 O ATOM 0 H TYR A 33 -2.171 -2.399 12.084 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.460 -3.086 9.917 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.505 -2.967 8.596 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.757 -3.870 10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.877 -2.588 12.062 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.950 -1.200 8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.836 -1.201 12.575 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.900 0.198 8.549 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.810 1.166 11.343 1.00 0.00 H new ATOM 573 N GLU A 34 -0.907 0.027 10.408 1.00 0.00 N ATOM 574 CA GLU A 34 -0.454 1.344 9.976 1.00 0.00 C ATOM 575 C GLU A 34 1.047 1.320 9.703 1.00 0.00 C ATOM 576 O GLU A 34 1.519 1.852 8.697 1.00 0.00 O ATOM 577 CB GLU A 34 -0.794 2.392 11.048 1.00 0.00 C ATOM 578 CG GLU A 34 -0.054 3.717 10.903 1.00 0.00 C ATOM 579 CD GLU A 34 1.023 3.900 11.958 1.00 0.00 C ATOM 580 OE1 GLU A 34 2.145 3.372 11.780 1.00 0.00 O ATOM 581 OE2 GLU A 34 0.756 4.568 12.978 1.00 0.00 O ATOM 0 H GLU A 34 -1.261 -0.005 11.364 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.966 1.613 9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.866 2.586 11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.572 1.973 12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.399 3.770 9.913 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.768 4.538 10.971 1.00 0.00 H new ATOM 588 N THR A 35 1.786 0.665 10.585 1.00 0.00 N ATOM 589 CA THR A 35 3.234 0.669 10.515 1.00 0.00 C ATOM 590 C THR A 35 3.754 -0.246 9.407 1.00 0.00 C ATOM 591 O THR A 35 4.582 0.177 8.604 1.00 0.00 O ATOM 592 CB THR A 35 3.839 0.278 11.872 1.00 0.00 C ATOM 593 OG1 THR A 35 3.309 1.145 12.888 1.00 0.00 O ATOM 594 CG2 THR A 35 5.357 0.386 11.848 1.00 0.00 C ATOM 0 H THR A 35 1.403 0.123 11.359 1.00 0.00 H new ATOM 0 HA THR A 35 3.548 1.684 10.270 1.00 0.00 H new ATOM 0 HB THR A 35 3.577 -0.758 12.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.792 1.863 12.468 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.757 0.103 12.822 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.757 -0.280 11.084 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.645 1.413 11.621 1.00 0.00 H new ATOM 602 N VAL A 36 3.259 -1.486 9.343 1.00 0.00 N ATOM 603 CA VAL A 36 3.672 -2.407 8.280 1.00 0.00 C ATOM 604 C VAL A 36 3.406 -1.793 6.912 1.00 0.00 C ATOM 605 O VAL A 36 4.203 -1.944 5.979 1.00 0.00 O ATOM 606 CB VAL A 36 2.960 -3.782 8.353 1.00 0.00 C ATOM 607 CG1 VAL A 36 3.401 -4.558 9.576 1.00 0.00 C ATOM 608 CG2 VAL A 36 1.445 -3.628 8.336 1.00 0.00 C ATOM 0 H VAL A 36 2.583 -1.870 10.003 1.00 0.00 H new ATOM 0 HA VAL A 36 4.739 -2.575 8.427 1.00 0.00 H new ATOM 0 HB VAL A 36 3.249 -4.345 7.466 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.886 -5.518 9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.477 -4.724 9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.157 -3.991 10.474 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.979 -4.612 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.130 -3.031 9.192 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.140 -3.131 7.415 1.00 0.00 H new ATOM 618 N LEU A 37 2.290 -1.084 6.819 1.00 0.00 N ATOM 619 CA LEU A 37 1.871 -0.449 5.588 1.00 0.00 C ATOM 620 C LEU A 37 2.897 0.586 5.145 1.00 0.00 C ATOM 621 O LEU A 37 3.580 0.401 4.136 1.00 0.00 O ATOM 622 CB LEU A 37 0.507 0.211 5.790 1.00 0.00 C ATOM 623 CG LEU A 37 -0.189 0.703 4.525 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.397 -0.452 3.563 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.515 1.344 4.886 1.00 0.00 C ATOM 0 H LEU A 37 1.651 -0.935 7.600 1.00 0.00 H new ATOM 0 HA LEU A 37 1.791 -1.207 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.150 -0.502 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.631 1.057 6.466 1.00 0.00 H new ATOM 0 HG LEU A 37 0.438 1.449 4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.895 -0.091 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.569 -0.882 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.015 -1.214 4.038 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.009 1.694 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.149 0.611 5.385 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.341 2.188 5.554 1.00 0.00 H new ATOM 637 N ARG A 38 3.037 1.649 5.931 1.00 0.00 N ATOM 638 CA ARG A 38 3.919 2.751 5.567 1.00 0.00 C ATOM 639 C ARG A 38 5.373 2.301 5.477 1.00 0.00 C ATOM 640 O ARG A 38 6.138 2.826 4.671 1.00 0.00 O ATOM 641 CB ARG A 38 3.773 3.928 6.541 1.00 0.00 C ATOM 642 CG ARG A 38 4.061 3.597 8.001 1.00 0.00 C ATOM 643 CD ARG A 38 3.990 4.851 8.861 1.00 0.00 C ATOM 644 NE ARG A 38 4.191 4.581 10.286 1.00 0.00 N ATOM 645 CZ ARG A 38 5.271 4.970 10.969 1.00 0.00 C ATOM 646 NH1 ARG A 38 6.313 5.496 10.334 1.00 0.00 N ATOM 647 NH2 ARG A 38 5.322 4.809 12.283 1.00 0.00 N ATOM 0 H ARG A 38 2.553 1.770 6.821 1.00 0.00 H new ATOM 0 HA ARG A 38 3.615 3.092 4.577 1.00 0.00 H new ATOM 0 HB2 ARG A 38 4.445 4.726 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.758 4.318 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.341 2.862 8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.049 3.145 8.089 1.00 0.00 H new ATOM 0 HD2 ARG A 38 4.745 5.561 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.019 5.326 8.721 1.00 0.00 H new ATOM 0 HE ARG A 38 3.465 4.067 10.785 1.00 0.00 H new ATOM 0 HH11 ARG A 38 6.291 5.604 9.320 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.135 5.791 10.861 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.535 4.387 12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 38 6.148 5.107 12.802 1.00 0.00 H new ATOM 661 N LEU A 39 5.741 1.310 6.274 1.00 0.00 N ATOM 662 CA LEU A 39 7.112 0.815 6.288 1.00 0.00 C ATOM 663 C LEU A 39 7.476 0.134 4.971 1.00 0.00 C ATOM 664 O LEU A 39 8.616 0.220 4.517 1.00 0.00 O ATOM 665 CB LEU A 39 7.310 -0.164 7.449 1.00 0.00 C ATOM 666 CG LEU A 39 8.736 -0.687 7.631 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.683 0.450 7.970 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.770 -1.755 8.712 1.00 0.00 C ATOM 0 H LEU A 39 5.112 0.832 6.919 1.00 0.00 H new ATOM 0 HA LEU A 39 7.771 1.673 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.000 0.326 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.645 -1.015 7.302 1.00 0.00 H new ATOM 0 HG LEU A 39 9.065 -1.134 6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.692 0.058 8.096 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.676 1.182 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.362 0.928 8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.790 -2.119 8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.423 -1.330 9.654 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.121 -2.583 8.426 1.00 0.00 H new ATOM 680 N HIS A 40 6.516 -0.545 4.356 1.00 0.00 N ATOM 681 CA HIS A 40 6.811 -1.328 3.160 1.00 0.00 C ATOM 682 C HIS A 40 6.437 -0.616 1.861 1.00 0.00 C ATOM 683 O HIS A 40 7.191 -0.672 0.890 1.00 0.00 O ATOM 684 CB HIS A 40 6.119 -2.690 3.231 1.00 0.00 C ATOM 685 CG HIS A 40 6.722 -3.607 4.251 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.220 -3.751 5.523 1.00 0.00 N ATOM 687 CD2 HIS A 40 7.800 -4.423 4.179 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.965 -4.614 6.193 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.932 -5.037 5.401 1.00 0.00 N ATOM 0 H HIS A 40 5.542 -0.571 4.658 1.00 0.00 H new ATOM 0 HA HIS A 40 7.893 -1.463 3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.064 -2.543 3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.166 -3.166 2.251 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.401 -3.268 5.892 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.438 -4.565 3.320 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.808 -4.921 7.217 1.00 0.00 H new ATOM 698 N VAL A 41 5.293 0.053 1.824 1.00 0.00 N ATOM 699 CA VAL A 41 4.804 0.593 0.558 1.00 0.00 C ATOM 700 C VAL A 41 5.082 2.092 0.397 1.00 0.00 C ATOM 701 O VAL A 41 5.198 2.581 -0.723 1.00 0.00 O ATOM 702 CB VAL A 41 3.301 0.297 0.351 1.00 0.00 C ATOM 703 CG1 VAL A 41 2.442 1.017 1.380 1.00 0.00 C ATOM 704 CG2 VAL A 41 2.865 0.654 -1.063 1.00 0.00 C ATOM 0 H VAL A 41 4.697 0.233 2.632 1.00 0.00 H new ATOM 0 HA VAL A 41 5.369 0.077 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 41 3.156 -0.774 0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.392 0.785 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.722 0.690 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.596 2.093 1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.804 0.436 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.040 1.715 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.439 0.067 -1.780 1.00 0.00 H new ATOM 714 N ILE A 42 5.222 2.821 1.494 1.00 0.00 N ATOM 715 CA ILE A 42 5.474 4.260 1.404 1.00 0.00 C ATOM 716 C ILE A 42 6.850 4.575 0.775 1.00 0.00 C ATOM 717 O ILE A 42 6.943 5.469 -0.068 1.00 0.00 O ATOM 718 CB ILE A 42 5.291 4.971 2.775 1.00 0.00 C ATOM 719 CG1 ILE A 42 3.895 5.602 2.860 1.00 0.00 C ATOM 720 CG2 ILE A 42 6.357 6.036 3.012 1.00 0.00 C ATOM 721 CD1 ILE A 42 2.759 4.648 2.551 1.00 0.00 C ATOM 0 H ILE A 42 5.167 2.453 2.444 1.00 0.00 H new ATOM 0 HA ILE A 42 4.719 4.665 0.730 1.00 0.00 H new ATOM 0 HB ILE A 42 5.399 4.215 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.752 6.006 3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.846 6.443 2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.191 6.507 3.981 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.344 5.573 2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.299 6.790 2.227 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.809 5.175 2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.873 4.263 1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 42 2.777 3.819 3.259 1.00 0.00 H new ATOM 733 N PRO A 43 7.939 3.860 1.148 1.00 0.00 N ATOM 734 CA PRO A 43 9.255 4.071 0.531 1.00 0.00 C ATOM 735 C PRO A 43 9.316 3.572 -0.916 1.00 0.00 C ATOM 736 O PRO A 43 10.243 3.899 -1.657 1.00 0.00 O ATOM 737 CB PRO A 43 10.215 3.256 1.414 1.00 0.00 C ATOM 738 CG PRO A 43 9.440 2.924 2.644 1.00 0.00 C ATOM 739 CD PRO A 43 8.011 2.844 2.209 1.00 0.00 C ATOM 0 HA PRO A 43 9.501 5.132 0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.546 2.352 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.109 3.831 1.656 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.772 1.979 3.074 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.574 3.688 3.410 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.756 1.852 1.837 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.326 3.064 3.027 1.00 0.00 H new ATOM 747 N THR A 44 8.325 2.787 -1.318 1.00 0.00 N ATOM 748 CA THR A 44 8.330 2.184 -2.641 1.00 0.00 C ATOM 749 C THR A 44 7.309 2.832 -3.580 1.00 0.00 C ATOM 750 O THR A 44 7.683 3.516 -4.532 1.00 0.00 O ATOM 751 CB THR A 44 8.056 0.676 -2.540 1.00 0.00 C ATOM 752 OG1 THR A 44 6.942 0.444 -1.669 1.00 0.00 O ATOM 753 CG2 THR A 44 9.274 -0.060 -2.010 1.00 0.00 C ATOM 0 H THR A 44 7.511 2.555 -0.748 1.00 0.00 H new ATOM 0 HA THR A 44 9.320 2.352 -3.064 1.00 0.00 H new ATOM 0 HB THR A 44 7.829 0.301 -3.538 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.266 0.123 -0.802 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.056 -1.126 -1.947 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.117 0.099 -2.683 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.525 0.318 -1.019 1.00 0.00 H new ATOM 761 N LEU A 45 6.027 2.637 -3.301 1.00 0.00 N ATOM 762 CA LEU A 45 4.972 3.136 -4.177 1.00 0.00 C ATOM 763 C LEU A 45 4.325 4.388 -3.588 1.00 0.00 C ATOM 764 O LEU A 45 3.509 5.039 -4.236 1.00 0.00 O ATOM 765 CB LEU A 45 3.888 2.069 -4.414 1.00 0.00 C ATOM 766 CG LEU A 45 4.320 0.793 -5.158 1.00 0.00 C ATOM 767 CD1 LEU A 45 5.173 1.126 -6.370 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.050 -0.172 -4.233 1.00 0.00 C ATOM 0 H LEU A 45 5.692 2.138 -2.477 1.00 0.00 H new ATOM 0 HA LEU A 45 5.436 3.383 -5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.482 1.776 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.075 2.530 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 45 3.414 0.298 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.463 0.205 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.602 1.752 -7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.067 1.661 -6.050 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.340 -1.062 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.941 0.312 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.392 -0.457 -3.412 1.00 0.00 H new ATOM 780 N GLY A 46 4.702 4.718 -2.360 1.00 0.00 N ATOM 781 CA GLY A 46 4.094 5.836 -1.657 1.00 0.00 C ATOM 782 C GLY A 46 4.385 7.182 -2.297 1.00 0.00 C ATOM 783 O GLY A 46 3.652 8.146 -2.076 1.00 0.00 O ATOM 0 H GLY A 46 5.424 4.228 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.015 5.687 -1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.453 5.846 -0.628 1.00 0.00 H new ATOM 787 N SER A 47 5.448 7.250 -3.087 1.00 0.00 N ATOM 788 CA SER A 47 5.818 8.489 -3.755 1.00 0.00 C ATOM 789 C SER A 47 5.308 8.479 -5.198 1.00 0.00 C ATOM 790 O SER A 47 5.638 9.356 -6.000 1.00 0.00 O ATOM 791 CB SER A 47 7.341 8.676 -3.712 1.00 0.00 C ATOM 792 OG SER A 47 7.711 10.005 -4.045 1.00 0.00 O ATOM 0 H SER A 47 6.068 6.463 -3.280 1.00 0.00 H new ATOM 0 HA SER A 47 5.356 9.328 -3.235 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.711 8.433 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.814 7.981 -4.406 1.00 0.00 H new ATOM 0 HG SER A 47 7.181 10.310 -4.811 1.00 0.00 H new ATOM 798 N ILE A 48 4.491 7.481 -5.518 1.00 0.00 N ATOM 799 CA ILE A 48 3.916 7.357 -6.848 1.00 0.00 C ATOM 800 C ILE A 48 2.438 7.734 -6.821 1.00 0.00 C ATOM 801 O ILE A 48 1.685 7.256 -5.975 1.00 0.00 O ATOM 802 CB ILE A 48 4.081 5.921 -7.402 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.569 5.578 -7.523 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.387 5.776 -8.753 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.834 4.183 -8.038 1.00 0.00 C ATOM 0 H ILE A 48 4.213 6.744 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 48 4.452 8.040 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 48 3.612 5.224 -6.708 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.045 6.298 -8.189 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.038 5.690 -6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.517 4.758 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.324 5.988 -8.640 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.824 6.478 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.909 4.015 -8.096 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.389 3.454 -7.361 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.395 4.072 -9.030 1.00 0.00 H new ATOM 817 N PRO A 49 2.016 8.625 -7.730 1.00 0.00 N ATOM 818 CA PRO A 49 0.624 9.072 -7.827 1.00 0.00 C ATOM 819 C PRO A 49 -0.358 7.914 -7.963 1.00 0.00 C ATOM 820 O PRO A 49 -0.123 6.981 -8.731 1.00 0.00 O ATOM 821 CB PRO A 49 0.599 9.928 -9.102 1.00 0.00 C ATOM 822 CG PRO A 49 1.884 9.644 -9.805 1.00 0.00 C ATOM 823 CD PRO A 49 2.865 9.280 -8.733 1.00 0.00 C ATOM 0 HA PRO A 49 0.319 9.607 -6.928 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.255 9.672 -9.729 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.511 10.987 -8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.767 8.830 -10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.223 10.515 -10.366 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.642 8.612 -9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.367 10.159 -8.328 1.00 0.00 H new ATOM 831 N LEU A 50 -1.468 8.001 -7.233 1.00 0.00 N ATOM 832 CA LEU A 50 -2.513 6.977 -7.272 1.00 0.00 C ATOM 833 C LEU A 50 -3.041 6.771 -8.691 1.00 0.00 C ATOM 834 O LEU A 50 -3.513 5.692 -9.037 1.00 0.00 O ATOM 835 CB LEU A 50 -3.673 7.365 -6.350 1.00 0.00 C ATOM 836 CG LEU A 50 -3.351 7.380 -4.856 1.00 0.00 C ATOM 837 CD1 LEU A 50 -4.529 7.935 -4.068 1.00 0.00 C ATOM 838 CD2 LEU A 50 -3.004 5.978 -4.374 1.00 0.00 C ATOM 0 H LEU A 50 -1.669 8.777 -6.602 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.069 6.042 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.027 8.355 -6.637 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.496 6.671 -6.519 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.488 8.025 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.286 7.940 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.740 8.953 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.406 7.310 -4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.777 6.005 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.850 5.314 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.136 5.610 -4.920 1.00 0.00 H new ATOM 850 N LYS A 51 -2.947 7.812 -9.509 1.00 0.00 N ATOM 851 CA LYS A 51 -3.447 7.757 -10.878 1.00 0.00 C ATOM 852 C LYS A 51 -2.488 6.996 -11.788 1.00 0.00 C ATOM 853 O LYS A 51 -2.871 6.551 -12.867 1.00 0.00 O ATOM 854 CB LYS A 51 -3.679 9.171 -11.429 1.00 0.00 C ATOM 855 CG LYS A 51 -4.989 9.821 -10.986 1.00 0.00 C ATOM 856 CD LYS A 51 -5.078 10.003 -9.475 1.00 0.00 C ATOM 857 CE LYS A 51 -6.350 10.737 -9.068 1.00 0.00 C ATOM 858 NZ LYS A 51 -7.575 10.037 -9.541 1.00 0.00 N ATOM 0 H LYS A 51 -2.529 8.705 -9.248 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.398 7.224 -10.859 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.850 9.808 -11.119 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.660 9.130 -12.518 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.089 10.792 -11.471 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.825 9.209 -11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.050 9.028 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.209 10.559 -9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.383 10.831 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.331 11.748 -9.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.403 10.649 -9.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.481 9.819 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.698 9.153 -9.007 1.00 0.00 H new ATOM 872 N LYS A 52 -1.247 6.833 -11.348 1.00 0.00 N ATOM 873 CA LYS A 52 -0.238 6.167 -12.161 1.00 0.00 C ATOM 874 C LYS A 52 0.217 4.872 -11.490 1.00 0.00 C ATOM 875 O LYS A 52 1.024 4.119 -12.037 1.00 0.00 O ATOM 876 CB LYS A 52 0.951 7.110 -12.396 1.00 0.00 C ATOM 877 CG LYS A 52 1.986 6.574 -13.377 1.00 0.00 C ATOM 878 CD LYS A 52 3.095 7.581 -13.625 1.00 0.00 C ATOM 879 CE LYS A 52 4.138 7.039 -14.592 1.00 0.00 C ATOM 880 NZ LYS A 52 3.541 6.654 -15.898 1.00 0.00 N ATOM 0 H LYS A 52 -0.916 7.151 -10.437 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.672 5.911 -13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.576 8.065 -12.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.439 7.307 -11.441 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.413 5.650 -12.987 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.500 6.327 -14.321 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.669 8.501 -14.026 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.573 7.837 -12.679 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.908 7.793 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.628 6.173 -14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.299 6.485 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.979 5.787 -15.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.927 7.421 -16.238 1.00 0.00 H new ATOM 894 N LEU A 53 -0.313 4.620 -10.303 1.00 0.00 N ATOM 895 CA LEU A 53 0.012 3.418 -9.551 1.00 0.00 C ATOM 896 C LEU A 53 -0.498 2.185 -10.299 1.00 0.00 C ATOM 897 O LEU A 53 -1.693 2.055 -10.568 1.00 0.00 O ATOM 898 CB LEU A 53 -0.586 3.520 -8.134 1.00 0.00 C ATOM 899 CG LEU A 53 -0.246 2.387 -7.148 1.00 0.00 C ATOM 900 CD1 LEU A 53 -1.133 1.178 -7.382 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.222 1.996 -7.252 1.00 0.00 C ATOM 0 H LEU A 53 -0.976 5.239 -9.836 1.00 0.00 H new ATOM 0 HA LEU A 53 1.093 3.319 -9.452 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.257 4.462 -7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.671 3.574 -8.227 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.432 2.758 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.872 0.393 -6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.177 1.460 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.988 0.812 -8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.436 1.194 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.437 1.654 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.846 2.859 -7.021 1.00 0.00 H new ATOM 913 N GLN A 54 0.421 1.297 -10.653 1.00 0.00 N ATOM 914 CA GLN A 54 0.082 0.108 -11.421 1.00 0.00 C ATOM 915 C GLN A 54 0.129 -1.139 -10.549 1.00 0.00 C ATOM 916 O GLN A 54 1.033 -1.299 -9.729 1.00 0.00 O ATOM 917 CB GLN A 54 1.042 -0.042 -12.600 1.00 0.00 C ATOM 918 CG GLN A 54 0.909 1.064 -13.632 1.00 0.00 C ATOM 919 CD GLN A 54 2.012 1.028 -14.668 1.00 0.00 C ATOM 920 OE1 GLN A 54 3.055 1.666 -14.501 1.00 0.00 O ATOM 921 NE2 GLN A 54 1.795 0.287 -15.743 1.00 0.00 N ATOM 0 H GLN A 54 1.410 1.379 -10.419 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.935 0.222 -11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.066 -0.058 -12.226 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.864 -1.003 -13.083 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.056 0.976 -14.131 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.921 2.030 -13.128 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.918 -0.225 -15.841 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.505 0.228 -16.473 1.00 0.00 H new ATOM 930 N PRO A 55 -0.848 -2.045 -10.724 1.00 0.00 N ATOM 931 CA PRO A 55 -0.928 -3.297 -9.957 1.00 0.00 C ATOM 932 C PRO A 55 0.302 -4.180 -10.151 1.00 0.00 C ATOM 933 O PRO A 55 0.700 -4.915 -9.246 1.00 0.00 O ATOM 934 CB PRO A 55 -2.179 -3.991 -10.512 1.00 0.00 C ATOM 935 CG PRO A 55 -2.448 -3.328 -11.820 1.00 0.00 C ATOM 936 CD PRO A 55 -1.962 -1.916 -11.676 1.00 0.00 C ATOM 0 HA PRO A 55 -0.976 -3.107 -8.885 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.012 -5.060 -10.640 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.025 -3.880 -9.833 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.928 -3.839 -12.630 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.511 -3.352 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.632 -1.503 -12.630 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.743 -1.257 -11.297 1.00 0.00 H new ATOM 944 N ALA A 56 0.910 -4.091 -11.328 1.00 0.00 N ATOM 945 CA ALA A 56 2.096 -4.877 -11.641 1.00 0.00 C ATOM 946 C ALA A 56 3.240 -4.534 -10.693 1.00 0.00 C ATOM 947 O ALA A 56 3.957 -5.418 -10.230 1.00 0.00 O ATOM 948 CB ALA A 56 2.511 -4.651 -13.086 1.00 0.00 C ATOM 0 H ALA A 56 0.599 -3.480 -12.083 1.00 0.00 H new ATOM 0 HA ALA A 56 1.854 -5.932 -11.509 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.398 -5.244 -13.307 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.700 -4.952 -13.749 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.733 -3.595 -13.240 1.00 0.00 H new ATOM 954 N ASP A 57 3.386 -3.249 -10.384 1.00 0.00 N ATOM 955 CA ASP A 57 4.439 -2.792 -9.483 1.00 0.00 C ATOM 956 C ASP A 57 4.146 -3.196 -8.047 1.00 0.00 C ATOM 957 O ASP A 57 5.059 -3.347 -7.238 1.00 0.00 O ATOM 958 CB ASP A 57 4.616 -1.277 -9.573 1.00 0.00 C ATOM 959 CG ASP A 57 5.431 -0.865 -10.782 1.00 0.00 C ATOM 960 OD1 ASP A 57 6.681 -0.928 -10.714 1.00 0.00 O ATOM 961 OD2 ASP A 57 4.833 -0.480 -11.803 1.00 0.00 O ATOM 0 H ASP A 57 2.788 -2.505 -10.744 1.00 0.00 H new ATOM 0 HA ASP A 57 5.367 -3.271 -9.795 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.637 -0.801 -9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.104 -0.916 -8.668 1.00 0.00 H new ATOM 966 N ILE A 58 2.872 -3.380 -7.737 1.00 0.00 N ATOM 967 CA ILE A 58 2.474 -3.830 -6.413 1.00 0.00 C ATOM 968 C ILE A 58 2.900 -5.280 -6.200 1.00 0.00 C ATOM 969 O ILE A 58 3.501 -5.617 -5.179 1.00 0.00 O ATOM 970 CB ILE A 58 0.953 -3.698 -6.204 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.516 -2.247 -6.398 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.554 -4.193 -4.820 1.00 0.00 C ATOM 973 CD1 ILE A 58 -0.982 -2.055 -6.315 1.00 0.00 C ATOM 0 H ILE A 58 2.098 -3.225 -8.383 1.00 0.00 H new ATOM 0 HA ILE A 58 2.973 -3.193 -5.683 1.00 0.00 H new ATOM 0 HB ILE A 58 0.449 -4.317 -6.946 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.997 -1.626 -5.642 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.867 -1.896 -7.369 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.524 -4.091 -4.694 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.834 -5.241 -4.714 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.066 -3.602 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.223 -1.002 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.468 -2.649 -7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.336 -2.375 -5.335 1.00 0.00 H new ATOM 985 N GLN A 59 2.602 -6.130 -7.180 1.00 0.00 N ATOM 986 CA GLN A 59 3.013 -7.529 -7.131 1.00 0.00 C ATOM 987 C GLN A 59 4.536 -7.602 -7.192 1.00 0.00 C ATOM 988 O GLN A 59 5.164 -8.424 -6.522 1.00 0.00 O ATOM 989 CB GLN A 59 2.369 -8.303 -8.289 1.00 0.00 C ATOM 990 CG GLN A 59 2.280 -9.810 -8.064 1.00 0.00 C ATOM 991 CD GLN A 59 3.603 -10.534 -8.246 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.440 -10.137 -9.055 1.00 0.00 O ATOM 993 NE2 GLN A 59 3.801 -11.604 -7.489 1.00 0.00 N ATOM 0 H GLN A 59 2.078 -5.874 -8.017 1.00 0.00 H new ATOM 0 HA GLN A 59 2.679 -7.986 -6.200 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.365 -7.913 -8.458 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.941 -8.116 -9.198 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.910 -9.997 -7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.549 -10.229 -8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.082 -11.902 -6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 59 4.672 -12.129 -7.566 1.00 0.00 H new ATOM 1002 N ARG A 60 5.111 -6.709 -7.991 1.00 0.00 N ATOM 1003 CA ARG A 60 6.558 -6.550 -8.083 1.00 0.00 C ATOM 1004 C ARG A 60 7.156 -6.285 -6.706 1.00 0.00 C ATOM 1005 O ARG A 60 8.165 -6.879 -6.339 1.00 0.00 O ATOM 1006 CB ARG A 60 6.881 -5.385 -9.018 1.00 0.00 C ATOM 1007 CG ARG A 60 8.361 -5.128 -9.231 1.00 0.00 C ATOM 1008 CD ARG A 60 8.564 -3.811 -9.957 1.00 0.00 C ATOM 1009 NE ARG A 60 9.959 -3.561 -10.303 1.00 0.00 N ATOM 1010 CZ ARG A 60 10.444 -2.350 -10.581 1.00 0.00 C ATOM 1011 NH1 ARG A 60 9.637 -1.295 -10.605 1.00 0.00 N ATOM 1012 NH2 ARG A 60 11.731 -2.190 -10.854 1.00 0.00 N ATOM 0 H ARG A 60 4.586 -6.075 -8.593 1.00 0.00 H new ATOM 0 HA ARG A 60 6.990 -7.470 -8.477 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.417 -5.576 -9.986 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.424 -4.480 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.876 -5.105 -8.270 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.800 -5.942 -9.809 1.00 0.00 H new ATOM 0 HD2 ARG A 60 7.963 -3.807 -10.867 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.199 -2.997 -9.331 1.00 0.00 H new ATOM 0 HE ARG A 60 10.598 -4.355 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.642 -1.409 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 10.012 -0.371 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.357 -2.996 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.096 -1.261 -11.066 1.00 0.00 H new ATOM 1026 N LEU A 61 6.519 -5.387 -5.957 1.00 0.00 N ATOM 1027 CA LEU A 61 6.941 -5.052 -4.600 1.00 0.00 C ATOM 1028 C LEU A 61 7.000 -6.311 -3.740 1.00 0.00 C ATOM 1029 O LEU A 61 7.999 -6.563 -3.064 1.00 0.00 O ATOM 1030 CB LEU A 61 5.969 -4.012 -4.001 1.00 0.00 C ATOM 1031 CG LEU A 61 6.273 -3.493 -2.579 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.813 -4.476 -1.510 1.00 0.00 C ATOM 1033 CD2 LEU A 61 7.754 -3.192 -2.417 1.00 0.00 C ATOM 0 H LEU A 61 5.697 -4.872 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 61 7.941 -4.619 -4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.937 -3.154 -4.673 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.970 -4.449 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 61 5.712 -2.568 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.044 -4.075 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.737 -4.630 -1.596 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.328 -5.427 -1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.943 -2.828 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.331 -4.101 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.052 -2.431 -3.139 1.00 0.00 H new ATOM 1045 N TYR A 62 5.938 -7.108 -3.787 1.00 0.00 N ATOM 1046 CA TYR A 62 5.870 -8.328 -2.994 1.00 0.00 C ATOM 1047 C TYR A 62 6.962 -9.303 -3.411 1.00 0.00 C ATOM 1048 O TYR A 62 7.644 -9.869 -2.566 1.00 0.00 O ATOM 1049 CB TYR A 62 4.500 -8.994 -3.133 1.00 0.00 C ATOM 1050 CG TYR A 62 3.354 -8.122 -2.678 1.00 0.00 C ATOM 1051 CD1 TYR A 62 3.358 -7.533 -1.419 1.00 0.00 C ATOM 1052 CD2 TYR A 62 2.271 -7.880 -3.511 1.00 0.00 C ATOM 1053 CE1 TYR A 62 2.315 -6.733 -1.004 1.00 0.00 C ATOM 1054 CE2 TYR A 62 1.225 -7.080 -3.104 1.00 0.00 C ATOM 1055 CZ TYR A 62 1.251 -6.508 -1.850 1.00 0.00 C ATOM 1056 OH TYR A 62 0.211 -5.707 -1.441 1.00 0.00 O ATOM 0 H TYR A 62 5.116 -6.931 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 62 6.021 -8.054 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 62 4.344 -9.270 -4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 62 4.494 -9.918 -2.555 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.192 -7.705 -0.755 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.247 -8.326 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 62 2.332 -6.285 -0.021 1.00 0.00 H new ATOM 0 HE2 TYR A 62 0.389 -6.902 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.458 -5.650 -2.155 1.00 0.00 H new ATOM 1066 N ALA A 63 7.132 -9.477 -4.715 1.00 0.00 N ATOM 1067 CA ALA A 63 8.144 -10.386 -5.244 1.00 0.00 C ATOM 1068 C ALA A 63 9.548 -9.918 -4.876 1.00 0.00 C ATOM 1069 O ALA A 63 10.379 -10.702 -4.418 1.00 0.00 O ATOM 1070 CB ALA A 63 8.009 -10.500 -6.756 1.00 0.00 C ATOM 0 H ALA A 63 6.581 -9.000 -5.429 1.00 0.00 H new ATOM 0 HA ALA A 63 7.985 -11.367 -4.797 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.769 -11.181 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 63 7.020 -10.884 -7.005 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.141 -9.517 -7.208 1.00 0.00 H new ATOM 1076 N SER A 64 9.792 -8.630 -5.058 1.00 0.00 N ATOM 1077 CA SER A 64 11.098 -8.046 -4.799 1.00 0.00 C ATOM 1078 C SER A 64 11.444 -8.109 -3.308 1.00 0.00 C ATOM 1079 O SER A 64 12.602 -8.315 -2.938 1.00 0.00 O ATOM 1080 CB SER A 64 11.125 -6.600 -5.306 1.00 0.00 C ATOM 1081 OG SER A 64 10.870 -6.550 -6.698 1.00 0.00 O ATOM 0 H SER A 64 9.094 -7.963 -5.388 1.00 0.00 H new ATOM 0 HA SER A 64 11.852 -8.623 -5.334 1.00 0.00 H new ATOM 0 HB2 SER A 64 10.379 -6.009 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 64 12.096 -6.153 -5.093 1.00 0.00 H new ATOM 0 HG SER A 64 9.909 -6.652 -6.858 1.00 0.00 H new ATOM 1087 N LYS A 65 10.438 -7.947 -2.458 1.00 0.00 N ATOM 1088 CA LYS A 65 10.645 -8.011 -1.017 1.00 0.00 C ATOM 1089 C LYS A 65 10.667 -9.471 -0.554 1.00 0.00 C ATOM 1090 O LYS A 65 11.259 -9.804 0.473 1.00 0.00 O ATOM 1091 CB LYS A 65 9.547 -7.232 -0.288 1.00 0.00 C ATOM 1092 CG LYS A 65 10.009 -6.608 1.023 1.00 0.00 C ATOM 1093 CD LYS A 65 11.049 -5.520 0.793 1.00 0.00 C ATOM 1094 CE LYS A 65 11.443 -4.830 2.092 1.00 0.00 C ATOM 1095 NZ LYS A 65 12.402 -3.717 1.855 1.00 0.00 N ATOM 0 H LYS A 65 9.474 -7.771 -2.740 1.00 0.00 H new ATOM 0 HA LYS A 65 11.606 -7.556 -0.778 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.175 -6.445 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.711 -7.901 -0.087 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.151 -6.187 1.548 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.428 -7.382 1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.934 -5.956 0.330 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.654 -4.782 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.551 -4.443 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.890 -5.558 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.647 -3.271 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.264 -4.090 1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.966 -3.011 1.229 1.00 0.00 H new ATOM 1109 N LEU A 66 10.034 -10.337 -1.338 1.00 0.00 N ATOM 1110 CA LEU A 66 10.018 -11.772 -1.068 1.00 0.00 C ATOM 1111 C LEU A 66 11.429 -12.335 -1.187 1.00 0.00 C ATOM 1112 O LEU A 66 11.803 -13.274 -0.480 1.00 0.00 O ATOM 1113 CB LEU A 66 9.091 -12.484 -2.059 1.00 0.00 C ATOM 1114 CG LEU A 66 8.814 -13.960 -1.764 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.950 -14.101 -0.522 1.00 0.00 C ATOM 1116 CD2 LEU A 66 8.153 -14.632 -2.959 1.00 0.00 C ATOM 0 H LEU A 66 9.519 -10.066 -2.176 1.00 0.00 H new ATOM 0 HA LEU A 66 9.649 -11.937 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.140 -11.953 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.526 -12.407 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 66 9.766 -14.458 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.763 -15.157 -0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.465 -13.660 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.001 -13.587 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.965 -15.681 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.209 -14.134 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.811 -14.563 -3.825 1.00 0.00 H new ATOM 1128 N GLU A 67 12.208 -11.746 -2.089 1.00 0.00 N ATOM 1129 CA GLU A 67 13.598 -12.134 -2.282 1.00 0.00 C ATOM 1130 C GLU A 67 14.441 -11.791 -1.057 1.00 0.00 C ATOM 1131 O GLU A 67 15.514 -12.357 -0.856 1.00 0.00 O ATOM 1132 CB GLU A 67 14.184 -11.441 -3.515 1.00 0.00 C ATOM 1133 CG GLU A 67 13.476 -11.788 -4.814 1.00 0.00 C ATOM 1134 CD GLU A 67 14.155 -11.176 -6.020 1.00 0.00 C ATOM 1135 OE1 GLU A 67 15.222 -11.674 -6.415 1.00 0.00 O ATOM 1136 OE2 GLU A 67 13.639 -10.182 -6.576 1.00 0.00 O ATOM 0 H GLU A 67 11.895 -10.993 -2.701 1.00 0.00 H new ATOM 0 HA GLU A 67 13.620 -13.214 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 67 14.142 -10.362 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 67 15.237 -11.709 -3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.443 -12.871 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 67 12.444 -11.441 -4.766 1.00 0.00 H new ATOM 1143 N SER A 68 13.955 -10.864 -0.244 1.00 0.00 N ATOM 1144 CA SER A 68 14.679 -10.440 0.943 1.00 0.00 C ATOM 1145 C SER A 68 14.555 -11.491 2.046 1.00 0.00 C ATOM 1146 O SER A 68 15.537 -11.820 2.716 1.00 0.00 O ATOM 1147 CB SER A 68 14.153 -9.088 1.429 1.00 0.00 C ATOM 1148 OG SER A 68 14.956 -8.569 2.475 1.00 0.00 O ATOM 0 H SER A 68 13.062 -10.392 -0.386 1.00 0.00 H new ATOM 0 HA SER A 68 15.733 -10.331 0.689 1.00 0.00 H new ATOM 0 HB2 SER A 68 14.134 -8.383 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.126 -9.199 1.777 1.00 0.00 H new ATOM 0 HG SER A 68 14.597 -7.704 2.764 1.00 0.00 H new ATOM 1154 N GLY A 69 13.354 -12.029 2.218 1.00 0.00 N ATOM 1155 CA GLY A 69 13.146 -13.062 3.216 1.00 0.00 C ATOM 1156 C GLY A 69 11.828 -12.923 3.946 1.00 0.00 C ATOM 1157 O GLY A 69 11.772 -13.055 5.167 1.00 0.00 O ATOM 0 H GLY A 69 12.523 -11.770 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.186 -14.039 2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 69 13.961 -13.030 3.939 1.00 0.00 H new ATOM 1161 N LEU A 70 10.766 -12.647 3.206 1.00 0.00 N ATOM 1162 CA LEU A 70 9.439 -12.562 3.798 1.00 0.00 C ATOM 1163 C LEU A 70 8.672 -13.858 3.576 1.00 0.00 C ATOM 1164 O LEU A 70 8.753 -14.464 2.509 1.00 0.00 O ATOM 1165 CB LEU A 70 8.649 -11.382 3.221 1.00 0.00 C ATOM 1166 CG LEU A 70 9.162 -9.991 3.605 1.00 0.00 C ATOM 1167 CD1 LEU A 70 8.259 -8.917 3.017 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.246 -9.851 5.118 1.00 0.00 C ATOM 0 H LEU A 70 10.795 -12.479 2.200 1.00 0.00 H new ATOM 0 HA LEU A 70 9.563 -12.401 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.651 -11.463 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.612 -11.469 3.545 1.00 0.00 H new ATOM 0 HG LEU A 70 10.164 -9.864 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 70 8.634 -7.933 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.248 -9.006 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.247 -9.042 3.401 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.612 -8.856 5.372 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.257 -9.995 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.929 -10.602 5.515 1.00 0.00 H new ATOM 1180 N SER A 71 7.943 -14.284 4.593 1.00 0.00 N ATOM 1181 CA SER A 71 7.112 -15.473 4.491 1.00 0.00 C ATOM 1182 C SER A 71 5.772 -15.102 3.855 1.00 0.00 C ATOM 1183 O SER A 71 5.279 -13.991 4.065 1.00 0.00 O ATOM 1184 CB SER A 71 6.902 -16.090 5.880 1.00 0.00 C ATOM 1185 OG SER A 71 6.346 -17.391 5.795 1.00 0.00 O ATOM 0 H SER A 71 7.909 -13.823 5.502 1.00 0.00 H new ATOM 0 HA SER A 71 7.608 -16.212 3.862 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.855 -16.135 6.407 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.243 -15.450 6.467 1.00 0.00 H new ATOM 0 HG SER A 71 6.227 -17.755 6.697 1.00 0.00 H new ATOM 1191 N PRO A 72 5.177 -16.017 3.061 1.00 0.00 N ATOM 1192 CA PRO A 72 3.894 -15.791 2.378 1.00 0.00 C ATOM 1193 C PRO A 72 2.827 -15.165 3.278 1.00 0.00 C ATOM 1194 O PRO A 72 2.083 -14.287 2.846 1.00 0.00 O ATOM 1195 CB PRO A 72 3.480 -17.199 1.956 1.00 0.00 C ATOM 1196 CG PRO A 72 4.764 -17.913 1.737 1.00 0.00 C ATOM 1197 CD PRO A 72 5.728 -17.354 2.750 1.00 0.00 C ATOM 0 HA PRO A 72 3.996 -15.084 1.555 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.882 -17.685 2.727 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.876 -17.180 1.049 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.640 -18.988 1.868 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.130 -17.756 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.782 -17.981 3.640 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.738 -17.286 2.346 1.00 0.00 H new ATOM 1205 N THR A 73 2.763 -15.601 4.531 1.00 0.00 N ATOM 1206 CA THR A 73 1.777 -15.080 5.472 1.00 0.00 C ATOM 1207 C THR A 73 2.016 -13.596 5.756 1.00 0.00 C ATOM 1208 O THR A 73 1.083 -12.789 5.754 1.00 0.00 O ATOM 1209 CB THR A 73 1.818 -15.870 6.789 1.00 0.00 C ATOM 1210 OG1 THR A 73 3.177 -15.993 7.234 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.209 -17.250 6.606 1.00 0.00 C ATOM 0 H THR A 73 3.381 -16.313 4.919 1.00 0.00 H new ATOM 0 HA THR A 73 0.793 -15.193 5.016 1.00 0.00 H new ATOM 0 HB THR A 73 1.236 -15.332 7.537 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.202 -16.496 8.075 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.248 -17.793 7.550 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.171 -17.150 6.287 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.770 -17.798 5.849 1.00 0.00 H new ATOM 1219 N ARG A 74 3.279 -13.245 5.970 1.00 0.00 N ATOM 1220 CA ARG A 74 3.666 -11.863 6.237 1.00 0.00 C ATOM 1221 C ARG A 74 3.416 -10.997 5.007 1.00 0.00 C ATOM 1222 O ARG A 74 2.967 -9.856 5.117 1.00 0.00 O ATOM 1223 CB ARG A 74 5.142 -11.806 6.647 1.00 0.00 C ATOM 1224 CG ARG A 74 5.440 -12.599 7.907 1.00 0.00 C ATOM 1225 CD ARG A 74 6.933 -12.833 8.107 1.00 0.00 C ATOM 1226 NE ARG A 74 7.671 -11.610 8.418 1.00 0.00 N ATOM 1227 CZ ARG A 74 8.996 -11.566 8.602 1.00 0.00 C ATOM 1228 NH1 ARG A 74 9.730 -12.670 8.487 1.00 0.00 N ATOM 1229 NH2 ARG A 74 9.580 -10.418 8.913 1.00 0.00 N ATOM 0 H ARG A 74 4.058 -13.903 5.964 1.00 0.00 H new ATOM 0 HA ARG A 74 3.060 -11.475 7.056 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.755 -12.188 5.831 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.430 -10.766 6.802 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.039 -12.068 8.770 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.928 -13.560 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.077 -13.551 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.348 -13.281 7.204 1.00 0.00 H new ATOM 0 HE ARG A 74 7.146 -10.740 8.500 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.283 -13.558 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.739 -12.628 8.629 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.020 -9.571 9.012 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.590 -10.381 9.054 1.00 0.00 H new ATOM 1243 N VAL A 75 3.694 -11.560 3.837 1.00 0.00 N ATOM 1244 CA VAL A 75 3.462 -10.871 2.572 1.00 0.00 C ATOM 1245 C VAL A 75 1.970 -10.634 2.349 1.00 0.00 C ATOM 1246 O VAL A 75 1.555 -9.549 1.935 1.00 0.00 O ATOM 1247 CB VAL A 75 4.033 -11.671 1.378 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.777 -10.948 0.063 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.520 -11.923 1.564 1.00 0.00 C ATOM 0 H VAL A 75 4.083 -12.498 3.738 1.00 0.00 H new ATOM 0 HA VAL A 75 3.978 -9.912 2.631 1.00 0.00 H new ATOM 0 HB VAL A 75 3.520 -12.632 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.189 -11.532 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.704 -10.824 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.255 -9.969 0.087 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.903 -12.487 0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.045 -10.970 1.633 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.681 -12.493 2.479 1.00 0.00 H new ATOM 1259 N ARG A 76 1.166 -11.649 2.637 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.275 -11.557 2.438 1.00 0.00 C ATOM 1261 C ARG A 76 -0.914 -10.573 3.410 1.00 0.00 C ATOM 1262 O ARG A 76 -1.984 -10.032 3.133 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.934 -12.935 2.549 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.664 -13.817 1.342 1.00 0.00 C ATOM 1265 CD ARG A 76 -1.359 -15.165 1.445 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.224 -15.929 0.207 1.00 0.00 N ATOM 1267 CZ ARG A 76 -1.390 -17.245 0.103 1.00 0.00 C ATOM 1268 NH1 ARG A 76 -1.723 -17.971 1.165 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -1.223 -17.834 -1.072 1.00 0.00 N ATOM 0 H ARG A 76 1.486 -12.544 3.008 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.440 -11.179 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.571 -13.435 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.010 -12.809 2.668 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.999 -13.306 0.439 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.410 -13.971 1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -0.935 -15.733 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.415 -15.016 1.669 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.985 -15.415 -0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.854 -17.520 2.070 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.848 -18.979 1.075 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.969 -17.279 -1.889 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.349 -18.842 -1.159 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.261 -10.329 4.540 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.738 -9.315 5.472 1.00 0.00 C ATOM 1285 C TYR A 77 -0.513 -7.929 4.874 1.00 0.00 C ATOM 1286 O TYR A 77 -1.408 -7.086 4.879 1.00 0.00 O ATOM 1287 CB TYR A 77 -0.037 -9.430 6.827 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.709 -8.622 7.917 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -0.387 -7.286 8.127 1.00 0.00 C ATOM 1290 CD2 TYR A 77 -1.678 -9.198 8.730 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.013 -6.550 9.116 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -2.307 -8.468 9.719 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.970 -7.147 9.908 1.00 0.00 C ATOM 1294 OH TYR A 77 -2.603 -6.415 10.887 1.00 0.00 O ATOM 0 H TYR A 77 0.589 -10.812 4.831 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.804 -9.472 5.638 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.008 -10.478 7.126 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.996 -9.099 6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.363 -6.816 7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -1.944 -10.235 8.586 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.753 -5.513 9.267 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.059 -8.931 10.341 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.250 -6.984 11.354 1.00 0.00 H new ATOM 1304 N ILE A 78 0.689 -7.708 4.348 1.00 0.00 N ATOM 1305 CA ILE A 78 1.006 -6.467 3.645 1.00 0.00 C ATOM 1306 C ILE A 78 0.071 -6.280 2.449 1.00 0.00 C ATOM 1307 O ILE A 78 -0.325 -5.163 2.109 1.00 0.00 O ATOM 1308 CB ILE A 78 2.476 -6.456 3.156 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.435 -6.762 4.314 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.822 -5.113 2.526 1.00 0.00 C ATOM 1311 CD1 ILE A 78 3.320 -5.797 5.474 1.00 0.00 C ATOM 0 H ILE A 78 1.461 -8.373 4.395 1.00 0.00 H new ATOM 0 HA ILE A 78 0.868 -5.646 4.348 1.00 0.00 H new ATOM 0 HB ILE A 78 2.587 -7.233 2.400 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.244 -7.773 4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.459 -6.745 3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.859 -5.125 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.166 -4.931 1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.690 -4.321 3.263 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.029 -6.078 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.541 -4.787 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.307 -5.830 5.876 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.294 -7.393 1.828 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.193 -7.376 0.685 1.00 0.00 C ATOM 1325 C HIS A 79 -2.600 -6.947 1.099 1.00 0.00 C ATOM 1326 O HIS A 79 -3.244 -6.157 0.408 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.234 -8.758 0.028 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.081 -8.822 -1.212 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.270 -9.514 -1.277 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -1.895 -8.288 -2.443 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -3.775 -9.406 -2.492 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -2.961 -8.665 -3.218 1.00 0.00 N ATOM 0 H HIS A 79 0.022 -8.324 2.100 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.815 -6.649 -0.035 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.217 -9.059 -0.223 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.611 -9.481 0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -1.061 -7.678 -2.756 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -4.699 -9.850 -2.834 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.102 -8.413 -4.196 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.072 -7.457 2.231 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.440 -7.199 2.660 1.00 0.00 C ATOM 1343 C VAL A 80 -4.574 -5.822 3.310 1.00 0.00 C ATOM 1344 O VAL A 80 -5.631 -5.192 3.232 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.960 -8.299 3.621 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -4.255 -8.254 4.969 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -6.467 -8.196 3.793 1.00 0.00 C ATOM 0 H VAL A 80 -2.532 -8.047 2.864 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.057 -7.216 1.762 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.730 -9.263 3.168 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.649 -9.041 5.612 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.185 -8.404 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.425 -7.284 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.810 -8.977 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.720 -7.220 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.953 -8.317 2.825 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.507 -5.338 3.934 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.538 -4.014 4.538 1.00 0.00 C ATOM 1359 C VAL A 81 -3.504 -2.932 3.457 1.00 0.00 C ATOM 1360 O VAL A 81 -4.211 -1.927 3.550 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.389 -3.799 5.557 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.022 -3.914 4.905 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.538 -2.450 6.239 1.00 0.00 C ATOM 0 H VAL A 81 -2.622 -5.835 4.034 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.474 -3.938 5.092 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.460 -4.589 6.304 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.247 -3.757 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.909 -4.907 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.928 -3.161 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.725 -2.311 6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.504 -1.658 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.492 -2.411 6.764 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.709 -3.159 2.414 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.655 -2.235 1.290 1.00 0.00 C ATOM 1375 C LEU A 82 -3.957 -2.318 0.499 1.00 0.00 C ATOM 1376 O LEU A 82 -4.421 -1.330 -0.078 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.450 -2.553 0.397 1.00 0.00 C ATOM 1378 CG LEU A 82 -1.169 -1.535 -0.710 1.00 0.00 C ATOM 1379 CD1 LEU A 82 -0.934 -0.153 -0.120 1.00 0.00 C ATOM 1380 CD2 LEU A 82 0.029 -1.974 -1.541 1.00 0.00 C ATOM 0 H LEU A 82 -2.098 -3.971 2.326 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.536 -1.218 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.564 -2.634 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.606 -3.530 -0.061 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.041 -1.483 -1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.736 0.557 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.819 0.162 0.432 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.078 -0.186 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.217 -1.240 -2.325 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.907 -2.053 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.178 -2.943 -1.994 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.545 -3.513 0.494 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.864 -3.730 -0.086 1.00 0.00 C ATOM 1394 C HIS A 83 -6.887 -2.844 0.617 1.00 0.00 C ATOM 1395 O HIS A 83 -7.718 -2.202 -0.024 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.259 -5.208 0.054 1.00 0.00 C ATOM 1397 CG HIS A 83 -7.608 -5.557 -0.507 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -8.768 -5.537 0.239 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -7.967 -5.973 -1.744 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -9.779 -5.930 -0.515 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -9.322 -6.200 -1.724 1.00 0.00 N ATOM 0 H HIS A 83 -4.121 -4.352 0.890 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.839 -3.471 -1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.506 -5.819 -0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.240 -5.476 1.110 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.309 -6.103 -2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -10.807 -6.016 -0.196 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.882 -6.524 -2.513 1.00 0.00 H new ATOM 1410 N GLU A 84 -6.802 -2.809 1.940 1.00 0.00 N ATOM 1411 CA GLU A 84 -7.703 -2.009 2.758 1.00 0.00 C ATOM 1412 C GLU A 84 -7.484 -0.520 2.512 1.00 0.00 C ATOM 1413 O GLU A 84 -8.428 0.217 2.228 1.00 0.00 O ATOM 1414 CB GLU A 84 -7.472 -2.324 4.237 1.00 0.00 C ATOM 1415 CG GLU A 84 -8.460 -1.647 5.170 1.00 0.00 C ATOM 1416 CD GLU A 84 -9.883 -2.095 4.921 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -10.176 -3.290 5.126 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -10.715 -1.257 4.523 1.00 0.00 O ATOM 0 H GLU A 84 -6.109 -3.333 2.475 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.728 -2.257 2.484 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.530 -3.403 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.462 -2.020 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.188 -1.864 6.203 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.394 -0.566 5.044 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.231 -0.093 2.610 1.00 0.00 N ATOM 1426 CA ALA A 85 -5.877 1.317 2.497 1.00 0.00 C ATOM 1427 C ALA A 85 -6.411 1.942 1.212 1.00 0.00 C ATOM 1428 O ALA A 85 -7.037 3.001 1.243 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.370 1.483 2.571 1.00 0.00 C ATOM 0 H ALA A 85 -5.435 -0.711 2.769 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.343 1.839 3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.116 2.539 2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.008 1.098 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.903 0.930 1.756 1.00 0.00 H new ATOM 1435 N MET A 86 -6.182 1.278 0.086 1.00 0.00 N ATOM 1436 CA MET A 86 -6.580 1.823 -1.206 1.00 0.00 C ATOM 1437 C MET A 86 -8.086 1.728 -1.423 1.00 0.00 C ATOM 1438 O MET A 86 -8.638 2.420 -2.278 1.00 0.00 O ATOM 1439 CB MET A 86 -5.825 1.134 -2.342 1.00 0.00 C ATOM 1440 CG MET A 86 -4.348 1.489 -2.368 1.00 0.00 C ATOM 1441 SD MET A 86 -3.478 0.793 -3.780 1.00 0.00 S ATOM 1442 CE MET A 86 -1.843 1.483 -3.531 1.00 0.00 C ATOM 0 H MET A 86 -5.726 0.367 0.041 1.00 0.00 H new ATOM 0 HA MET A 86 -6.317 2.881 -1.207 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.933 0.054 -2.241 1.00 0.00 H new ATOM 0 HB3 MET A 86 -6.278 1.412 -3.294 1.00 0.00 H new ATOM 0 HG2 MET A 86 -4.242 2.574 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.879 1.135 -1.450 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.670 2.278 -4.256 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.769 1.889 -2.522 1.00 0.00 H new ATOM 0 HE3 MET A 86 -1.094 0.702 -3.664 1.00 0.00 H new ATOM 1452 N SER A 87 -8.758 0.890 -0.643 1.00 0.00 N ATOM 1453 CA SER A 87 -10.211 0.806 -0.710 1.00 0.00 C ATOM 1454 C SER A 87 -10.832 2.081 -0.154 1.00 0.00 C ATOM 1455 O SER A 87 -11.846 2.565 -0.657 1.00 0.00 O ATOM 1456 CB SER A 87 -10.720 -0.418 0.048 1.00 0.00 C ATOM 1457 OG SER A 87 -10.251 -1.612 -0.550 1.00 0.00 O ATOM 0 H SER A 87 -8.325 0.265 0.037 1.00 0.00 H new ATOM 0 HA SER A 87 -10.506 0.699 -1.754 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.389 -0.372 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.810 -0.416 0.060 1.00 0.00 H new ATOM 0 HG SER A 87 -9.434 -1.907 -0.095 1.00 0.00 H new ATOM 1463 N GLN A 88 -10.193 2.638 0.869 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.612 3.914 1.436 1.00 0.00 C ATOM 1465 C GLN A 88 -10.406 5.038 0.425 1.00 0.00 C ATOM 1466 O GLN A 88 -11.243 5.929 0.293 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.836 4.209 2.724 1.00 0.00 C ATOM 1468 CG GLN A 88 -10.538 3.746 3.993 1.00 0.00 C ATOM 1469 CD GLN A 88 -10.989 2.301 3.940 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -12.110 2.004 3.533 1.00 0.00 O ATOM 1471 NE2 GLN A 88 -10.121 1.394 4.347 1.00 0.00 N ATOM 0 H GLN A 88 -9.380 2.224 1.324 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.673 3.852 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.860 3.728 2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.659 5.282 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.865 3.878 4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.404 4.383 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.200 1.682 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.371 0.405 4.331 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.290 4.983 -0.295 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.995 5.961 -1.338 1.00 0.00 C ATOM 1482 C ALA A 89 -9.987 5.832 -2.491 1.00 0.00 C ATOM 1483 O ALA A 89 -10.401 6.830 -3.089 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.572 5.783 -1.846 1.00 0.00 C ATOM 0 H ALA A 89 -8.572 4.269 -0.175 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.090 6.958 -0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.368 6.520 -2.623 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.872 5.921 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.455 4.780 -2.257 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.358 4.594 -2.793 1.00 0.00 N ATOM 1491 CA ARG A 90 -11.352 4.306 -3.821 1.00 0.00 C ATOM 1492 C ARG A 90 -12.684 4.977 -3.491 1.00 0.00 C ATOM 1493 O ARG A 90 -13.263 5.673 -4.325 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.538 2.791 -3.961 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.689 2.388 -4.871 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.826 0.875 -4.971 1.00 0.00 C ATOM 1497 NE ARG A 90 -12.873 0.235 -3.655 1.00 0.00 N ATOM 1498 CZ ARG A 90 -13.996 0.010 -2.966 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -15.176 0.377 -3.457 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -13.932 -0.593 -1.783 1.00 0.00 N ATOM 0 H ARG A 90 -9.981 3.764 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.995 4.708 -4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.615 2.356 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.704 2.363 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.618 2.813 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.530 2.805 -5.865 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.732 0.630 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.987 0.473 -5.539 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.990 -0.059 -3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.230 0.835 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -16.027 0.201 -2.924 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.029 -0.881 -1.406 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.786 -0.767 -1.253 1.00 0.00 H new ATOM 1514 N GLU A 91 -13.147 4.798 -2.259 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.430 5.355 -1.842 1.00 0.00 C ATOM 1516 C GLU A 91 -14.301 6.837 -1.491 1.00 0.00 C ATOM 1517 O GLU A 91 -15.285 7.498 -1.161 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.995 4.571 -0.655 1.00 0.00 C ATOM 1519 CG GLU A 91 -15.174 3.090 -0.945 1.00 0.00 C ATOM 1520 CD GLU A 91 -15.914 2.358 0.155 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -15.321 2.122 1.227 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -17.097 2.007 -0.051 1.00 0.00 O ATOM 0 H GLU A 91 -12.656 4.274 -1.534 1.00 0.00 H new ATOM 0 HA GLU A 91 -15.122 5.267 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.329 4.689 0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.957 4.998 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -15.718 2.972 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.195 2.632 -1.084 1.00 0.00 H new ATOM 1529 N SER A 92 -13.082 7.354 -1.564 1.00 0.00 N ATOM 1530 CA SER A 92 -12.841 8.770 -1.343 1.00 0.00 C ATOM 1531 C SER A 92 -12.819 9.513 -2.677 1.00 0.00 C ATOM 1532 O SER A 92 -12.692 10.739 -2.716 1.00 0.00 O ATOM 1533 CB SER A 92 -11.515 8.978 -0.601 1.00 0.00 C ATOM 1534 OG SER A 92 -11.331 10.340 -0.248 1.00 0.00 O ATOM 0 H SER A 92 -12.244 6.811 -1.775 1.00 0.00 H new ATOM 0 HA SER A 92 -13.649 9.169 -0.729 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.498 8.361 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 92 -10.688 8.648 -1.230 1.00 0.00 H new ATOM 0 HG SER A 92 -11.702 10.913 -0.951 1.00 0.00 H new ATOM 1540 N GLY A 93 -12.934 8.760 -3.768 1.00 0.00 N ATOM 1541 CA GLY A 93 -12.948 9.357 -5.091 1.00 0.00 C ATOM 1542 C GLY A 93 -11.559 9.682 -5.603 1.00 0.00 C ATOM 1543 O GLY A 93 -11.398 10.505 -6.505 1.00 0.00 O ATOM 0 H GLY A 93 -13.018 7.744 -3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.437 8.675 -5.787 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.544 10.269 -5.067 1.00 0.00 H new ATOM 1547 N LEU A 94 -10.549 9.038 -5.033 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.175 9.251 -5.469 1.00 0.00 C ATOM 1549 C LEU A 94 -8.786 8.204 -6.503 1.00 0.00 C ATOM 1550 O LEU A 94 -7.937 8.443 -7.362 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.214 9.187 -4.278 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.538 10.135 -3.123 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.571 9.920 -1.970 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.487 11.581 -3.592 1.00 0.00 C ATOM 0 H LEU A 94 -10.654 8.367 -4.272 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.107 10.242 -5.919 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.203 8.166 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.207 9.405 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.547 9.918 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.817 10.603 -1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.649 8.892 -1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.553 10.111 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.720 12.243 -2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.489 11.807 -3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.216 11.731 -4.389 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.422 7.048 -6.420 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.146 5.957 -7.335 1.00 0.00 C ATOM 1568 C LEU A 95 -10.444 5.228 -7.662 1.00 0.00 C ATOM 1569 O LEU A 95 -11.288 5.039 -6.789 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.120 5.003 -6.717 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.528 3.958 -7.666 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.920 4.622 -8.897 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.480 3.134 -6.936 1.00 0.00 C ATOM 0 H LEU A 95 -10.137 6.841 -5.723 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.726 6.351 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.304 5.595 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.591 4.483 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.330 3.300 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.506 3.858 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.691 5.180 -9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.127 5.303 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.062 2.392 -7.616 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.685 3.789 -6.581 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.941 2.629 -6.087 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.609 4.840 -8.917 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.864 4.248 -9.370 1.00 0.00 C ATOM 1587 C LEU A 96 -11.842 2.726 -9.266 1.00 0.00 C ATOM 1588 O LEU A 96 -12.887 2.076 -9.343 1.00 0.00 O ATOM 1589 CB LEU A 96 -12.172 4.657 -10.818 1.00 0.00 C ATOM 1590 CG LEU A 96 -11.173 4.174 -11.879 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.819 4.182 -13.254 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -9.925 5.047 -11.891 1.00 0.00 C ATOM 0 H LEU A 96 -9.894 4.923 -9.640 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.647 4.627 -8.714 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.161 4.279 -11.079 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.224 5.745 -10.864 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.880 3.155 -11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.099 3.837 -13.996 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -12.685 3.520 -13.253 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.137 5.195 -13.501 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.234 4.683 -12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.203 6.077 -12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.443 5.007 -10.914 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.658 2.159 -9.096 1.00 0.00 N ATOM 1605 CA GLN A 97 -10.503 0.710 -9.054 1.00 0.00 C ATOM 1606 C GLN A 97 -9.616 0.308 -7.886 1.00 0.00 C ATOM 1607 O GLN A 97 -9.118 1.164 -7.158 1.00 0.00 O ATOM 1608 CB GLN A 97 -9.911 0.198 -10.370 1.00 0.00 C ATOM 1609 CG GLN A 97 -10.839 0.359 -11.560 1.00 0.00 C ATOM 1610 CD GLN A 97 -10.185 -0.035 -12.866 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -10.253 -1.189 -13.286 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -9.538 0.916 -13.516 1.00 0.00 N ATOM 0 H GLN A 97 -9.788 2.679 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 97 -11.486 0.260 -8.917 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -8.981 0.730 -10.571 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -9.657 -0.856 -10.258 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -11.730 -0.250 -11.406 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.168 1.396 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.504 1.862 -13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.073 0.705 -14.399 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.425 -0.990 -7.709 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.585 -1.504 -6.634 1.00 0.00 C ATOM 1623 C ASN A 98 -7.430 -2.334 -7.204 1.00 0.00 C ATOM 1624 O ASN A 98 -7.573 -3.517 -7.514 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.421 -2.319 -5.632 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.153 -3.505 -6.247 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -10.473 -3.521 -7.437 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -10.449 -4.497 -5.422 1.00 0.00 N ATOM 0 H ASN A 98 -9.842 -1.711 -8.298 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.155 -0.659 -6.096 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.766 -2.682 -4.840 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.151 -1.659 -5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.959 -5.311 -5.765 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.167 -4.448 -4.443 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.259 -1.704 -7.365 1.00 0.00 N ATOM 1636 CA PRO A 99 -5.100 -2.332 -8.008 1.00 0.00 C ATOM 1637 C PRO A 99 -4.418 -3.368 -7.120 1.00 0.00 C ATOM 1638 O PRO A 99 -3.696 -4.233 -7.606 1.00 0.00 O ATOM 1639 CB PRO A 99 -4.167 -1.152 -8.279 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.505 -0.155 -7.227 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.974 -0.321 -6.942 1.00 0.00 C ATOM 0 HA PRO A 99 -5.384 -2.885 -8.903 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.121 -1.452 -8.219 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.325 -0.744 -9.277 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -3.913 -0.324 -6.327 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.287 0.857 -7.567 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.196 -0.172 -5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.574 0.399 -7.498 1.00 0.00 H new ATOM 1649 N THR A 100 -4.665 -3.285 -5.825 1.00 0.00 N ATOM 1650 CA THR A 100 -4.074 -4.211 -4.875 1.00 0.00 C ATOM 1651 C THR A 100 -4.685 -5.601 -5.000 1.00 0.00 C ATOM 1652 O THR A 100 -4.006 -6.610 -4.815 1.00 0.00 O ATOM 1653 CB THR A 100 -4.242 -3.697 -3.439 1.00 0.00 C ATOM 1654 OG1 THR A 100 -5.558 -3.151 -3.266 1.00 0.00 O ATOM 1655 CG2 THR A 100 -3.204 -2.636 -3.126 1.00 0.00 C ATOM 0 H THR A 100 -5.274 -2.582 -5.405 1.00 0.00 H new ATOM 0 HA THR A 100 -3.011 -4.281 -5.106 1.00 0.00 H new ATOM 0 HB THR A 100 -4.104 -4.534 -2.755 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.494 -2.275 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.340 -2.284 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.206 -3.060 -3.234 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.319 -1.800 -3.816 1.00 0.00 H new ATOM 1663 N GLU A 101 -5.965 -5.647 -5.331 1.00 0.00 N ATOM 1664 CA GLU A 101 -6.650 -6.912 -5.514 1.00 0.00 C ATOM 1665 C GLU A 101 -6.385 -7.435 -6.921 1.00 0.00 C ATOM 1666 O GLU A 101 -6.416 -8.639 -7.170 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.144 -6.735 -5.263 1.00 0.00 C ATOM 1668 CG GLU A 101 -8.908 -8.041 -5.171 1.00 0.00 C ATOM 1669 CD GLU A 101 -10.322 -7.848 -4.674 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -10.531 -7.884 -3.440 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -11.229 -7.657 -5.506 1.00 0.00 O ATOM 0 H GLU A 101 -6.548 -4.823 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 101 -6.273 -7.642 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.284 -6.177 -4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.569 -6.132 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -8.932 -8.514 -6.153 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -8.380 -8.721 -4.502 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.105 -6.509 -7.835 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.707 -6.867 -9.189 1.00 0.00 C ATOM 1680 C ALA A 102 -4.267 -7.365 -9.201 1.00 0.00 C ATOM 1681 O ALA A 102 -3.839 -8.060 -10.125 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.870 -5.679 -10.125 1.00 0.00 C ATOM 0 H ALA A 102 -6.147 -5.505 -7.660 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.355 -7.670 -9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -5.568 -5.965 -11.132 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.913 -5.364 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.246 -4.855 -9.779 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.525 -7.006 -8.162 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.163 -7.470 -8.004 1.00 0.00 C ATOM 1690 C ALA A 103 -2.158 -8.794 -7.261 1.00 0.00 C ATOM 1691 O ALA A 103 -2.171 -8.839 -6.030 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.330 -6.436 -7.265 1.00 0.00 C ATOM 0 H ALA A 103 -3.850 -6.392 -7.415 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.720 -7.617 -8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.309 -6.802 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.323 -5.504 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.760 -6.260 -6.279 1.00 0.00 H new ATOM 1698 N LYS A 104 -2.180 -9.868 -8.026 1.00 0.00 N ATOM 1699 CA LYS A 104 -2.209 -11.209 -7.476 1.00 0.00 C ATOM 1700 C LYS A 104 -1.151 -12.066 -8.154 1.00 0.00 C ATOM 1701 O LYS A 104 -0.734 -11.769 -9.277 1.00 0.00 O ATOM 1702 CB LYS A 104 -3.600 -11.822 -7.675 1.00 0.00 C ATOM 1703 CG LYS A 104 -4.056 -11.820 -9.127 1.00 0.00 C ATOM 1704 CD LYS A 104 -5.455 -12.392 -9.287 1.00 0.00 C ATOM 1705 CE LYS A 104 -6.494 -11.571 -8.539 1.00 0.00 C ATOM 1706 NZ LYS A 104 -7.876 -12.002 -8.872 1.00 0.00 N ATOM 0 H LYS A 104 -2.178 -9.836 -9.045 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.995 -11.166 -6.408 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.594 -12.847 -7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.322 -11.270 -7.074 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.035 -10.800 -9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.356 -12.401 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.714 -12.427 -10.345 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.471 -13.418 -8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.331 -11.668 -7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -6.372 -10.516 -8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -8.558 -11.421 -8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -8.039 -11.886 -9.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -8.000 -13.002 -8.613 1.00 0.00 H new ATOM 1720 N PRO A 105 -0.659 -13.104 -7.472 1.00 0.00 N ATOM 1721 CA PRO A 105 0.234 -14.084 -8.051 1.00 0.00 C ATOM 1722 C PRO A 105 -0.467 -15.408 -8.388 1.00 0.00 C ATOM 1723 O PRO A 105 -0.440 -16.348 -7.592 1.00 0.00 O ATOM 1724 CB PRO A 105 1.238 -14.288 -6.917 1.00 0.00 C ATOM 1725 CG PRO A 105 0.475 -13.993 -5.651 1.00 0.00 C ATOM 1726 CD PRO A 105 -0.853 -13.380 -6.049 1.00 0.00 C ATOM 0 HA PRO A 105 0.662 -13.757 -8.999 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.626 -15.307 -6.914 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.094 -13.621 -7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.319 -14.906 -5.077 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.037 -13.309 -5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.684 -14.065 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.067 -12.472 -5.485 1.00 0.00 H new ATOM 1734 N PRO A 106 -1.136 -15.497 -9.553 1.00 0.00 N ATOM 1735 CA PRO A 106 -1.731 -16.749 -10.008 1.00 0.00 C ATOM 1736 C PRO A 106 -0.683 -17.646 -10.653 1.00 0.00 C ATOM 1737 O PRO A 106 -0.757 -18.871 -10.581 1.00 0.00 O ATOM 1738 CB PRO A 106 -2.771 -16.294 -11.031 1.00 0.00 C ATOM 1739 CG PRO A 106 -2.244 -15.011 -11.577 1.00 0.00 C ATOM 1740 CD PRO A 106 -1.380 -14.396 -10.504 1.00 0.00 C ATOM 0 HA PRO A 106 -2.162 -17.337 -9.198 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -2.898 -17.035 -11.820 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.746 -16.153 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.666 -15.187 -12.484 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.061 -14.341 -11.845 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.447 -14.013 -10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.883 -13.558 -10.021 1.00 0.00 H new ATOM 1748 N ARG A 107 0.312 -17.015 -11.264 1.00 0.00 N ATOM 1749 CA ARG A 107 1.399 -17.729 -11.896 1.00 0.00 C ATOM 1750 C ARG A 107 2.688 -16.928 -11.773 1.00 0.00 C ATOM 1751 O ARG A 107 3.510 -17.204 -10.903 1.00 0.00 O ATOM 1752 CB ARG A 107 1.079 -17.984 -13.368 1.00 0.00 C ATOM 1753 CG ARG A 107 2.048 -18.937 -14.039 1.00 0.00 C ATOM 1754 CD ARG A 107 1.963 -20.327 -13.436 1.00 0.00 C ATOM 1755 NE ARG A 107 0.626 -20.906 -13.582 1.00 0.00 N ATOM 1756 CZ ARG A 107 0.395 -22.184 -13.864 1.00 0.00 C ATOM 1757 NH1 ARG A 107 1.407 -23.026 -14.043 1.00 0.00 N ATOM 1758 NH2 ARG A 107 -0.855 -22.621 -13.962 1.00 0.00 N ATOM 0 H ARG A 107 0.383 -16.000 -11.332 1.00 0.00 H new ATOM 0 HA ARG A 107 1.528 -18.688 -11.395 1.00 0.00 H new ATOM 0 HB2 ARG A 107 0.070 -18.388 -13.448 1.00 0.00 H new ATOM 0 HB3 ARG A 107 1.086 -17.034 -13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.831 -18.988 -15.106 1.00 0.00 H new ATOM 0 HG3 ARG A 107 3.064 -18.556 -13.938 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.694 -20.977 -13.917 1.00 0.00 H new ATOM 0 HD3 ARG A 107 2.225 -20.281 -12.379 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.178 -20.290 -13.460 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.368 -22.693 -13.964 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.223 -24.006 -14.259 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.633 -21.977 -13.821 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.037 -23.601 -14.178 1.00 0.00 H new ATOM 1772 N HIS A 108 2.808 -15.901 -12.618 1.00 0.00 N ATOM 1773 CA HIS A 108 4.013 -15.068 -12.723 1.00 0.00 C ATOM 1774 C HIS A 108 5.282 -15.912 -12.856 1.00 0.00 C ATOM 1775 O HIS A 108 5.866 -16.336 -11.860 1.00 0.00 O ATOM 1776 CB HIS A 108 4.135 -14.107 -11.533 1.00 0.00 C ATOM 1777 CG HIS A 108 5.232 -13.092 -11.701 1.00 0.00 C ATOM 1778 ND1 HIS A 108 5.043 -11.870 -12.307 1.00 0.00 N ATOM 1779 CD2 HIS A 108 6.540 -13.133 -11.349 1.00 0.00 C ATOM 1780 CE1 HIS A 108 6.185 -11.207 -12.324 1.00 0.00 C ATOM 1781 NE2 HIS A 108 7.112 -11.950 -11.749 1.00 0.00 N ATOM 0 H HIS A 108 2.064 -15.620 -13.257 1.00 0.00 H new ATOM 0 HA HIS A 108 3.907 -14.478 -13.633 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.187 -13.588 -11.395 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.318 -14.683 -10.626 1.00 0.00 H new ATOM 0 HD2 HIS A 108 7.041 -13.947 -10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.335 -10.221 -12.739 1.00 0.00 H new ATOM 0 HE2 HIS A 108 8.090 -11.689 -11.623 1.00 0.00 H new ATOM 1790 N PRO A 109 5.724 -16.159 -14.098 1.00 0.00 N ATOM 1791 CA PRO A 109 6.958 -16.904 -14.364 1.00 0.00 C ATOM 1792 C PRO A 109 8.178 -16.193 -13.801 1.00 0.00 C ATOM 1793 O PRO A 109 8.123 -15.005 -13.469 1.00 0.00 O ATOM 1794 CB PRO A 109 7.035 -16.952 -15.891 1.00 0.00 C ATOM 1795 CG PRO A 109 5.650 -16.670 -16.355 1.00 0.00 C ATOM 1796 CD PRO A 109 5.064 -15.734 -15.342 1.00 0.00 C ATOM 0 HA PRO A 109 6.947 -17.889 -13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 109 7.738 -16.212 -16.274 1.00 0.00 H new ATOM 0 HB3 PRO A 109 7.377 -17.927 -16.239 1.00 0.00 H new ATOM 0 HG2 PRO A 109 5.654 -16.220 -17.348 1.00 0.00 H new ATOM 0 HG3 PRO A 109 5.066 -17.588 -16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.279 -14.692 -15.580 1.00 0.00 H new ATOM 0 HD3 PRO A 109 3.980 -15.830 -15.280 1.00 0.00 H new ATOM 1804 N LEU A 110 9.280 -16.912 -13.703 1.00 0.00 N ATOM 1805 CA LEU A 110 10.489 -16.361 -13.119 1.00 0.00 C ATOM 1806 C LEU A 110 11.391 -15.814 -14.213 1.00 0.00 C ATOM 1807 O LEU A 110 12.155 -16.550 -14.841 1.00 0.00 O ATOM 1808 CB LEU A 110 11.224 -17.415 -12.280 1.00 0.00 C ATOM 1809 CG LEU A 110 10.387 -18.086 -11.177 1.00 0.00 C ATOM 1810 CD1 LEU A 110 9.430 -17.089 -10.539 1.00 0.00 C ATOM 1811 CD2 LEU A 110 9.627 -19.287 -11.724 1.00 0.00 C ATOM 0 H LEU A 110 9.364 -17.878 -14.020 1.00 0.00 H new ATOM 0 HA LEU A 110 10.212 -15.544 -12.453 1.00 0.00 H new ATOM 0 HB2 LEU A 110 11.599 -18.190 -12.949 1.00 0.00 H new ATOM 0 HB3 LEU A 110 12.092 -16.945 -11.818 1.00 0.00 H new ATOM 0 HG LEU A 110 11.072 -18.441 -10.407 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.850 -17.587 -9.763 1.00 0.00 H new ATOM 0 HD12 LEU A 110 9.998 -16.270 -10.098 1.00 0.00 H new ATOM 0 HD13 LEU A 110 8.756 -16.694 -11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 110 9.043 -19.743 -10.924 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.958 -18.962 -12.521 1.00 0.00 H new ATOM 0 HD23 LEU A 110 10.334 -20.016 -12.118 1.00 0.00 H new ATOM 1823 N GLU A 111 11.265 -14.523 -14.458 1.00 0.00 N ATOM 1824 CA GLU A 111 12.009 -13.863 -15.516 1.00 0.00 C ATOM 1825 C GLU A 111 12.809 -12.704 -14.943 1.00 0.00 C ATOM 1826 O GLU A 111 12.714 -12.418 -13.749 1.00 0.00 O ATOM 1827 CB GLU A 111 11.047 -13.345 -16.585 1.00 0.00 C ATOM 1828 CG GLU A 111 10.082 -14.395 -17.106 1.00 0.00 C ATOM 1829 CD GLU A 111 9.010 -13.801 -17.991 1.00 0.00 C ATOM 1830 OE1 GLU A 111 7.972 -13.350 -17.459 1.00 0.00 O ATOM 1831 OE2 GLU A 111 9.200 -13.776 -19.225 1.00 0.00 O ATOM 0 H GLU A 111 10.647 -13.904 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 111 12.693 -14.582 -15.967 1.00 0.00 H new ATOM 0 HB2 GLU A 111 10.476 -12.513 -16.173 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.626 -12.951 -17.421 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.636 -15.148 -17.666 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.614 -14.904 -16.264 1.00 0.00 H new ATOM 1838 N HIS A 112 13.597 -12.048 -15.801 1.00 0.00 N ATOM 1839 CA HIS A 112 14.377 -10.856 -15.431 1.00 0.00 C ATOM 1840 C HIS A 112 15.586 -11.216 -14.564 1.00 0.00 C ATOM 1841 O HIS A 112 16.706 -10.785 -14.841 1.00 0.00 O ATOM 1842 CB HIS A 112 13.507 -9.809 -14.714 1.00 0.00 C ATOM 1843 CG HIS A 112 12.433 -9.202 -15.571 1.00 0.00 C ATOM 1844 ND1 HIS A 112 12.154 -7.852 -15.586 1.00 0.00 N ATOM 1845 CD2 HIS A 112 11.553 -9.770 -16.431 1.00 0.00 C ATOM 1846 CE1 HIS A 112 11.152 -7.621 -16.414 1.00 0.00 C ATOM 1847 NE2 HIS A 112 10.769 -8.767 -16.940 1.00 0.00 N ATOM 0 H HIS A 112 13.714 -12.327 -16.775 1.00 0.00 H new ATOM 0 HA HIS A 112 14.741 -10.421 -16.362 1.00 0.00 H new ATOM 0 HB2 HIS A 112 13.042 -10.275 -13.845 1.00 0.00 H new ATOM 0 HB3 HIS A 112 14.151 -9.012 -14.342 1.00 0.00 H new ATOM 0 HD2 HIS A 112 11.482 -10.821 -16.671 1.00 0.00 H new ATOM 0 HE1 HIS A 112 10.719 -6.655 -16.625 1.00 0.00 H new ATOM 0 HE2 HIS A 112 10.014 -8.888 -17.615 1.00 0.00 H new ATOM 1856 N HIS A 113 15.356 -11.999 -13.517 1.00 0.00 N ATOM 1857 CA HIS A 113 16.422 -12.401 -12.608 1.00 0.00 C ATOM 1858 C HIS A 113 16.001 -13.609 -11.785 1.00 0.00 C ATOM 1859 O HIS A 113 14.813 -13.837 -11.568 1.00 0.00 O ATOM 1860 CB HIS A 113 16.812 -11.245 -11.670 1.00 0.00 C ATOM 1861 CG HIS A 113 15.697 -10.741 -10.793 1.00 0.00 C ATOM 1862 ND1 HIS A 113 15.006 -9.577 -11.045 1.00 0.00 N ATOM 1863 CD2 HIS A 113 15.171 -11.243 -9.649 1.00 0.00 C ATOM 1864 CE1 HIS A 113 14.104 -9.387 -10.099 1.00 0.00 C ATOM 1865 NE2 HIS A 113 14.183 -10.384 -9.237 1.00 0.00 N ATOM 0 H HIS A 113 14.437 -12.369 -13.276 1.00 0.00 H new ATOM 0 HA HIS A 113 17.288 -12.668 -13.213 1.00 0.00 H new ATOM 0 HB2 HIS A 113 17.635 -11.573 -11.035 1.00 0.00 H new ATOM 0 HB3 HIS A 113 17.184 -10.417 -12.272 1.00 0.00 H new ATOM 0 HD2 HIS A 113 15.474 -12.153 -9.152 1.00 0.00 H new ATOM 0 HE1 HIS A 113 13.417 -8.556 -10.040 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.606 -10.497 -8.404 1.00 0.00 H new ATOM 1874 N HIS A 114 16.982 -14.378 -11.332 1.00 0.00 N ATOM 1875 CA HIS A 114 16.728 -15.474 -10.409 1.00 0.00 C ATOM 1876 C HIS A 114 16.694 -14.927 -8.988 1.00 0.00 C ATOM 1877 O HIS A 114 15.928 -15.392 -8.147 1.00 0.00 O ATOM 1878 CB HIS A 114 17.809 -16.560 -10.538 1.00 0.00 C ATOM 1879 CG HIS A 114 17.609 -17.743 -9.630 1.00 0.00 C ATOM 1880 ND1 HIS A 114 16.976 -18.898 -10.031 1.00 0.00 N ATOM 1881 CD2 HIS A 114 17.976 -17.949 -8.340 1.00 0.00 C ATOM 1882 CE1 HIS A 114 16.959 -19.759 -9.033 1.00 0.00 C ATOM 1883 NE2 HIS A 114 17.559 -19.212 -7.994 1.00 0.00 N ATOM 0 H HIS A 114 17.962 -14.262 -11.590 1.00 0.00 H new ATOM 0 HA HIS A 114 15.768 -15.930 -10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 114 17.835 -16.909 -11.570 1.00 0.00 H new ATOM 0 HB3 HIS A 114 18.781 -16.115 -10.327 1.00 0.00 H new ATOM 0 HD2 HIS A 114 18.499 -17.250 -7.704 1.00 0.00 H new ATOM 0 HE1 HIS A 114 16.526 -20.748 -9.062 1.00 0.00 H new ATOM 0 HE2 HIS A 114 17.692 -19.653 -7.084 1.00 0.00 H new ATOM 1892 N HIS A 115 17.541 -13.936 -8.733 1.00 0.00 N ATOM 1893 CA HIS A 115 17.583 -13.277 -7.437 1.00 0.00 C ATOM 1894 C HIS A 115 18.298 -11.939 -7.540 1.00 0.00 C ATOM 1895 O HIS A 115 19.427 -11.864 -8.026 1.00 0.00 O ATOM 1896 CB HIS A 115 18.284 -14.164 -6.405 1.00 0.00 C ATOM 1897 CG HIS A 115 18.311 -13.573 -5.027 1.00 0.00 C ATOM 1898 ND1 HIS A 115 19.259 -12.842 -4.392 1.00 0.00 N flip ATOM 1899 CD2 HIS A 115 17.267 -13.692 -4.140 1.00 0.00 C flip ATOM 1900 CE1 HIS A 115 18.772 -12.530 -3.146 1.00 0.00 C flip ATOM 1901 NE2 HIS A 115 17.568 -13.058 -3.023 1.00 0.00 N flip ATOM 0 H HIS A 115 18.210 -13.572 -9.411 1.00 0.00 H new ATOM 0 HA HIS A 115 16.557 -13.103 -7.112 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.781 -15.130 -6.367 1.00 0.00 H new ATOM 0 HB3 HIS A 115 19.307 -14.349 -6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 115 16.345 -14.222 -4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 115 19.287 -11.951 -2.394 1.00 0.00 H new ATOM 0 HE2 HIS A 115 16.969 -12.987 -2.200 1.00 0.00 H new ATOM 1910 N HIS A 116 17.638 -10.888 -7.086 1.00 0.00 N ATOM 1911 CA HIS A 116 18.259 -9.574 -7.019 1.00 0.00 C ATOM 1912 C HIS A 116 18.725 -9.327 -5.589 1.00 0.00 C ATOM 1913 O HIS A 116 18.118 -9.831 -4.643 1.00 0.00 O ATOM 1914 CB HIS A 116 17.286 -8.469 -7.491 1.00 0.00 C ATOM 1915 CG HIS A 116 16.512 -7.779 -6.399 1.00 0.00 C ATOM 1916 ND1 HIS A 116 15.289 -8.215 -5.939 1.00 0.00 N ATOM 1917 CD2 HIS A 116 16.802 -6.666 -5.681 1.00 0.00 C ATOM 1918 CE1 HIS A 116 14.865 -7.404 -4.990 1.00 0.00 C ATOM 1919 NE2 HIS A 116 15.763 -6.456 -4.811 1.00 0.00 N ATOM 0 H HIS A 116 16.673 -10.917 -6.758 1.00 0.00 H new ATOM 0 HA HIS A 116 19.117 -9.544 -7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 116 17.855 -7.718 -8.040 1.00 0.00 H new ATOM 0 HB3 HIS A 116 16.577 -8.908 -8.193 1.00 0.00 H new ATOM 0 HD1 HIS A 116 14.790 -9.037 -6.279 1.00 0.00 H new ATOM 0 HD2 HIS A 116 17.689 -6.057 -5.777 1.00 0.00 H new ATOM 0 HE1 HIS A 116 13.935 -7.500 -4.449 1.00 0.00 H new ATOM 1928 N HIS A 117 19.794 -8.572 -5.428 1.00 0.00 N ATOM 1929 CA HIS A 117 20.315 -8.297 -4.103 1.00 0.00 C ATOM 1930 C HIS A 117 19.744 -6.984 -3.583 1.00 0.00 C ATOM 1931 O HIS A 117 20.350 -5.924 -3.845 1.00 0.00 O ATOM 1932 CB HIS A 117 21.843 -8.245 -4.123 1.00 0.00 C ATOM 1933 CG HIS A 117 22.456 -8.423 -2.769 1.00 0.00 C ATOM 1934 ND1 HIS A 117 22.634 -7.390 -1.876 1.00 0.00 N ATOM 1935 CD2 HIS A 117 22.929 -9.533 -2.154 1.00 0.00 C ATOM 1936 CE1 HIS A 117 23.189 -7.856 -0.774 1.00 0.00 C ATOM 1937 NE2 HIS A 117 23.378 -9.153 -0.915 1.00 0.00 N ATOM 1938 OXT HIS A 117 18.682 -7.014 -2.930 1.00 0.00 O ATOM 0 H HIS A 117 20.315 -8.141 -6.191 1.00 0.00 H new ATOM 0 HA HIS A 117 20.012 -9.103 -3.435 1.00 0.00 H new ATOM 0 HB2 HIS A 117 22.218 -9.022 -4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 117 22.162 -7.288 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 117 22.949 -10.532 -2.563 1.00 0.00 H new ATOM 0 HE1 HIS A 117 23.446 -7.273 0.098 1.00 0.00 H new ATOM 0 HE2 HIS A 117 23.790 -9.772 -0.217 1.00 0.00 H new TER 1947 HIS A 117