USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 662 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 67 THR OG1 : rot 93:sc= 0.517 USER MOD Set 1.2: A 68 HIS : no HE2:sc= 0.246 K(o=0.76,f=-0.77) USER MOD Set 2.1: A 58 LYS NZ :NH3+ -160:sc= 1.98 (180deg=0.701) USER MOD Set 2.2: A 62 SER OG : rot 70:sc= 2.03 USER MOD Set 3.1: A 12 GLN : amide:sc= 0.842 K(o=0.19,f=-1.6) USER MOD Set 3.2: A 49 ASN : amide:sc= -0.647! K(o=0.19!,f=-1.6) USER MOD Set 4.1: A 48 CYS SG : rot -70:sc= 0.762 USER MOD Set 4.2: A 54 SER OG : rot 170:sc= 0.715 USER MOD Single : A 1 ALA N :NH3+ 174:sc= 1.23 (180deg=1.2) USER MOD Single : A 3 HIS : no HD1:sc= -0.0909 X(o=-0.091,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.923 K(o=0.92,f=-0.076) USER MOD Single : A 17 HIS : no HE2:sc= 0.132 K(o=0.13,f=-0.96) USER MOD Single : A 19 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.32) USER MOD Single : A 23 ASN : amide:sc= 0.932 K(o=0.93,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00708 USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.21) USER MOD Single : A 41 ASN : amide:sc= -0.0541 X(o=-0.054,f=-0.054) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.22) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.166 USER MOD Single : A 53 GLN : amide:sc= -0.73 K(o=-0.73,f=-3.6!) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -179:sc= 1.28 USER MOD Single : A 71 ASN : amide:sc= 0.25 X(o=0.25,f=-0.008) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 179:sc= 0 (180deg=-0.00174) USER MOD Single : A 82 LYS NZ :NH3+ -155:sc= 2.44 (180deg=1.71) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.790 -0.185 -2.081 1.00 0.00 N ATOM 2 CA ALA A 1 3.315 -0.179 -1.994 1.00 0.00 C ATOM 3 C ALA A 1 2.723 0.274 -3.339 1.00 0.00 C ATOM 4 O ALA A 1 3.412 0.256 -4.363 1.00 0.00 O ATOM 5 CB ALA A 1 2.841 0.688 -0.810 1.00 0.00 C ATOM 0 H1 ALA A 1 5.192 -0.392 -1.145 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.095 -0.913 -2.758 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.123 0.747 -2.402 1.00 0.00 H new ATOM 0 HA ALA A 1 2.953 -1.188 -1.798 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.752 0.678 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.246 0.288 0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.189 1.712 -0.946 1.00 0.00 H new ATOM 13 N GLU A 2 1.443 0.657 -3.372 1.00 0.00 N ATOM 14 CA GLU A 2 0.813 1.292 -4.522 1.00 0.00 C ATOM 15 C GLU A 2 -0.252 2.277 -4.027 1.00 0.00 C ATOM 16 O GLU A 2 -0.675 2.204 -2.868 1.00 0.00 O ATOM 17 CB GLU A 2 0.229 0.240 -5.490 1.00 0.00 C ATOM 18 CG GLU A 2 -0.876 -0.646 -4.884 1.00 0.00 C ATOM 19 CD GLU A 2 -1.470 -1.651 -5.889 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.739 -2.188 -6.751 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.688 -1.930 -5.816 1.00 0.00 O ATOM 0 H GLU A 2 0.809 0.530 -2.584 1.00 0.00 H new ATOM 0 HA GLU A 2 1.561 1.846 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.173 0.753 -6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.038 -0.400 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.469 -1.192 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.674 -0.009 -4.502 1.00 0.00 H new ATOM 28 N HIS A 3 -0.717 3.158 -4.916 1.00 0.00 N ATOM 29 CA HIS A 3 -1.828 4.073 -4.682 1.00 0.00 C ATOM 30 C HIS A 3 -2.712 4.045 -5.924 1.00 0.00 C ATOM 31 O HIS A 3 -2.215 4.256 -7.033 1.00 0.00 O ATOM 32 CB HIS A 3 -1.315 5.502 -4.436 1.00 0.00 C ATOM 33 CG HIS A 3 -0.626 5.695 -3.108 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.207 6.151 -1.944 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.702 5.491 -2.844 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.250 6.219 -1.003 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.936 5.823 -1.501 1.00 0.00 N ATOM 0 H HIS A 3 -0.315 3.254 -5.848 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.387 3.766 -3.798 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.622 5.769 -5.234 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.156 6.193 -4.500 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.441 5.136 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.411 6.547 0.014 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.825 5.774 -1.003 1.00 0.00 H new ATOM 45 N TRP A 4 -4.008 3.792 -5.739 1.00 0.00 N ATOM 46 CA TRP A 4 -5.004 3.955 -6.788 1.00 0.00 C ATOM 47 C TRP A 4 -5.505 5.384 -6.672 1.00 0.00 C ATOM 48 O TRP A 4 -6.011 5.766 -5.614 1.00 0.00 O ATOM 49 CB TRP A 4 -6.156 2.956 -6.616 1.00 0.00 C ATOM 50 CG TRP A 4 -5.788 1.548 -6.972 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.975 0.744 -6.254 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.155 0.778 -8.158 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.798 -0.453 -6.911 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.507 -0.494 -8.092 1.00 0.00 C ATOM 55 CE3 TRP A 4 -6.963 1.028 -9.289 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.651 -1.462 -9.098 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.119 0.062 -10.301 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.461 -1.178 -10.211 1.00 0.00 C ATOM 0 H TRP A 4 -4.394 3.467 -4.852 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.575 3.763 -7.771 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.497 2.983 -5.581 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -6.995 3.271 -7.237 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.529 1.002 -5.305 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.214 -1.215 -6.566 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.470 1.977 -9.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.146 -2.413 -9.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.748 0.274 -11.153 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.578 -1.911 -10.996 1.00 0.00 H new ATOM 69 N ILE A 5 -5.368 6.166 -7.738 1.00 0.00 N ATOM 70 CA ILE A 5 -5.752 7.566 -7.754 1.00 0.00 C ATOM 71 C ILE A 5 -6.742 7.722 -8.904 1.00 0.00 C ATOM 72 O ILE A 5 -6.386 7.567 -10.075 1.00 0.00 O ATOM 73 CB ILE A 5 -4.521 8.498 -7.876 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.490 8.266 -6.742 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.996 9.963 -7.872 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.220 9.110 -6.872 1.00 0.00 C ATOM 0 H ILE A 5 -4.982 5.838 -8.623 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.221 7.863 -6.816 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.016 8.267 -8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.963 8.485 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.213 7.212 -6.727 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.134 10.625 -7.958 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.667 10.130 -8.714 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.523 10.172 -6.941 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.550 8.890 -6.041 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.721 8.875 -7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.483 10.168 -6.855 1.00 0.00 H new ATOM 88 N ASP A 6 -7.997 7.992 -8.562 1.00 0.00 N ATOM 89 CA ASP A 6 -8.978 8.437 -9.532 1.00 0.00 C ATOM 90 C ASP A 6 -8.578 9.860 -9.899 1.00 0.00 C ATOM 91 O ASP A 6 -8.432 10.707 -9.012 1.00 0.00 O ATOM 92 CB ASP A 6 -10.371 8.431 -8.906 1.00 0.00 C ATOM 93 CG ASP A 6 -11.474 8.832 -9.889 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.215 9.165 -11.066 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.646 8.800 -9.466 1.00 0.00 O ATOM 0 H ASP A 6 -8.356 7.908 -7.611 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.006 7.787 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.584 7.435 -8.517 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.384 9.114 -8.057 1.00 0.00 H new ATOM 100 N VAL A 7 -8.392 10.149 -11.178 1.00 0.00 N ATOM 101 CA VAL A 7 -7.980 11.467 -11.644 1.00 0.00 C ATOM 102 C VAL A 7 -9.128 12.167 -12.388 1.00 0.00 C ATOM 103 O VAL A 7 -8.901 13.201 -13.018 1.00 0.00 O ATOM 104 CB VAL A 7 -6.629 11.381 -12.389 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.483 10.933 -11.466 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.641 10.411 -13.571 1.00 0.00 C ATOM 0 H VAL A 7 -8.523 9.471 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.777 12.126 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.469 12.397 -12.750 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.554 10.888 -12.035 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.374 11.646 -10.649 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.708 9.947 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.660 10.403 -14.045 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.881 9.408 -13.217 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.391 10.729 -14.295 1.00 0.00 H new ATOM 116 N ARG A 8 -10.367 11.655 -12.298 1.00 0.00 N ATOM 117 CA ARG A 8 -11.557 12.373 -12.767 1.00 0.00 C ATOM 118 C ARG A 8 -11.659 13.747 -12.137 1.00 0.00 C ATOM 119 O ARG A 8 -11.175 13.960 -11.021 1.00 0.00 O ATOM 120 CB ARG A 8 -12.850 11.632 -12.380 1.00 0.00 C ATOM 121 CG ARG A 8 -13.241 10.599 -13.429 1.00 0.00 C ATOM 122 CD ARG A 8 -14.499 9.824 -13.059 1.00 0.00 C ATOM 123 NE ARG A 8 -14.256 8.941 -11.919 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.161 8.130 -11.376 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.364 7.935 -11.907 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.853 7.514 -10.258 1.00 0.00 N ATOM 0 H ARG A 8 -10.568 10.737 -11.900 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.452 12.443 -13.850 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.713 11.140 -11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.660 12.352 -12.258 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.397 11.100 -14.384 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.417 9.899 -13.567 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.302 10.521 -12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.833 9.236 -13.914 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.322 8.947 -11.509 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.626 8.417 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.025 7.303 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.940 7.663 -9.828 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.527 6.887 -9.819 1.00 0.00 H new ATOM 140 N VAL A 9 -12.386 14.628 -12.829 1.00 0.00 N ATOM 141 CA VAL A 9 -12.844 15.890 -12.267 1.00 0.00 C ATOM 142 C VAL A 9 -13.563 15.565 -10.939 1.00 0.00 C ATOM 143 O VAL A 9 -14.237 14.529 -10.857 1.00 0.00 O ATOM 144 CB VAL A 9 -13.704 16.668 -13.289 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.858 17.055 -14.513 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.951 15.907 -13.768 1.00 0.00 C ATOM 0 H VAL A 9 -12.672 14.481 -13.797 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.015 16.563 -12.047 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.055 17.554 -12.759 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.476 17.602 -15.224 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.026 17.684 -14.196 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.471 16.153 -14.987 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.500 16.521 -14.482 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.647 14.976 -14.247 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.591 15.684 -12.915 1.00 0.00 H new ATOM 156 N PRO A 10 -13.447 16.409 -9.900 1.00 0.00 N ATOM 157 CA PRO A 10 -13.842 16.020 -8.551 1.00 0.00 C ATOM 158 C PRO A 10 -15.321 15.639 -8.424 1.00 0.00 C ATOM 159 O PRO A 10 -15.650 14.719 -7.676 1.00 0.00 O ATOM 160 CB PRO A 10 -13.423 17.172 -7.631 1.00 0.00 C ATOM 161 CG PRO A 10 -13.129 18.359 -8.555 1.00 0.00 C ATOM 162 CD PRO A 10 -12.883 17.750 -9.933 1.00 0.00 C ATOM 0 HA PRO A 10 -13.338 15.098 -8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.215 17.415 -6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.543 16.905 -7.046 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.967 19.056 -8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.258 18.918 -8.212 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.354 18.350 -10.712 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.817 17.717 -10.158 1.00 0.00 H new ATOM 170 N GLU A 11 -16.216 16.276 -9.185 1.00 0.00 N ATOM 171 CA GLU A 11 -17.634 15.933 -9.136 1.00 0.00 C ATOM 172 C GLU A 11 -17.884 14.535 -9.705 1.00 0.00 C ATOM 173 O GLU A 11 -18.739 13.817 -9.189 1.00 0.00 O ATOM 174 CB GLU A 11 -18.451 16.962 -9.928 1.00 0.00 C ATOM 175 CG GLU A 11 -19.923 16.980 -9.493 1.00 0.00 C ATOM 176 CD GLU A 11 -20.719 18.062 -10.244 1.00 0.00 C ATOM 177 OE1 GLU A 11 -21.221 17.796 -11.360 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.870 19.189 -9.718 1.00 0.00 O ATOM 0 H GLU A 11 -15.983 17.026 -9.836 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.946 15.942 -8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.019 17.953 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -18.389 16.733 -10.992 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -20.370 16.003 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.984 17.161 -8.420 1.00 0.00 H new ATOM 185 N GLN A 12 -17.155 14.138 -10.758 1.00 0.00 N ATOM 186 CA GLN A 12 -17.412 12.893 -11.470 1.00 0.00 C ATOM 187 C GLN A 12 -16.856 11.740 -10.638 1.00 0.00 C ATOM 188 O GLN A 12 -17.453 10.666 -10.610 1.00 0.00 O ATOM 189 CB GLN A 12 -16.808 12.947 -12.888 1.00 0.00 C ATOM 190 CG GLN A 12 -17.365 11.875 -13.844 1.00 0.00 C ATOM 191 CD GLN A 12 -18.721 12.224 -14.468 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.518 12.986 -13.928 1.00 0.00 O ATOM 193 NE2 GLN A 12 -19.010 11.673 -15.635 1.00 0.00 N ATOM 0 H GLN A 12 -16.374 14.675 -11.134 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.483 12.739 -11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.994 13.933 -13.315 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.727 12.830 -12.817 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.643 11.709 -14.644 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.460 10.935 -13.300 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.344 11.041 -16.079 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -19.899 11.880 -16.091 1.00 0.00 H new ATOM 202 N TYR A 13 -15.757 11.983 -9.912 1.00 0.00 N ATOM 203 CA TYR A 13 -15.220 11.055 -8.930 1.00 0.00 C ATOM 204 C TYR A 13 -16.312 10.616 -7.948 1.00 0.00 C ATOM 205 O TYR A 13 -16.516 9.417 -7.748 1.00 0.00 O ATOM 206 CB TYR A 13 -14.014 11.686 -8.213 1.00 0.00 C ATOM 207 CG TYR A 13 -13.863 11.313 -6.746 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.547 9.993 -6.374 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.041 12.293 -5.749 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.361 9.666 -5.020 1.00 0.00 C ATOM 211 CE2 TYR A 13 -13.887 11.966 -4.390 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.536 10.648 -4.019 1.00 0.00 C ATOM 213 OH TYR A 13 -13.349 10.316 -2.710 1.00 0.00 O ATOM 0 H TYR A 13 -15.215 12.843 -9.997 1.00 0.00 H new ATOM 0 HA TYR A 13 -14.869 10.157 -9.438 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.106 11.395 -8.740 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.093 12.770 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.447 9.229 -7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.298 13.303 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.083 8.660 -4.743 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.037 12.720 -3.632 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.507 11.103 -2.147 1.00 0.00 H new ATOM 223 N GLN A 14 -17.039 11.578 -7.369 1.00 0.00 N ATOM 224 CA GLN A 14 -18.001 11.305 -6.306 1.00 0.00 C ATOM 225 C GLN A 14 -19.165 10.416 -6.762 1.00 0.00 C ATOM 226 O GLN A 14 -19.778 9.758 -5.918 1.00 0.00 O ATOM 227 CB GLN A 14 -18.548 12.627 -5.742 1.00 0.00 C ATOM 228 CG GLN A 14 -17.507 13.384 -4.907 1.00 0.00 C ATOM 229 CD GLN A 14 -18.116 14.624 -4.253 1.00 0.00 C ATOM 230 OE1 GLN A 14 -17.893 15.755 -4.679 1.00 0.00 O ATOM 231 NE2 GLN A 14 -18.905 14.441 -3.207 1.00 0.00 N ATOM 0 H GLN A 14 -16.974 12.563 -7.626 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.466 10.756 -5.531 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -18.879 13.260 -6.565 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.423 12.421 -5.126 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.105 12.725 -4.138 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.672 13.678 -5.543 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.083 13.498 -2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -19.335 15.243 -2.746 1.00 0.00 H new ATOM 240 N GLN A 15 -19.486 10.404 -8.064 1.00 0.00 N ATOM 241 CA GLN A 15 -20.690 9.754 -8.570 1.00 0.00 C ATOM 242 C GLN A 15 -20.648 8.237 -8.345 1.00 0.00 C ATOM 243 O GLN A 15 -21.677 7.663 -7.993 1.00 0.00 O ATOM 244 CB GLN A 15 -20.912 10.089 -10.059 1.00 0.00 C ATOM 245 CG GLN A 15 -20.984 11.598 -10.368 1.00 0.00 C ATOM 246 CD GLN A 15 -21.983 12.355 -9.491 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.172 12.046 -9.454 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.521 13.354 -8.756 1.00 0.00 N ATOM 0 H GLN A 15 -18.917 10.844 -8.788 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.537 10.144 -8.006 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.103 9.649 -10.642 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.837 9.618 -10.391 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -19.994 12.035 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.256 11.734 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.532 13.601 -8.795 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.154 13.877 -8.150 1.00 0.00 H new ATOM 257 N GLU A 16 -19.478 7.609 -8.516 1.00 0.00 N ATOM 258 CA GLU A 16 -19.171 6.205 -8.228 1.00 0.00 C ATOM 259 C GLU A 16 -17.702 6.002 -8.599 1.00 0.00 C ATOM 260 O GLU A 16 -17.294 6.459 -9.668 1.00 0.00 O ATOM 261 CB GLU A 16 -20.075 5.263 -9.051 1.00 0.00 C ATOM 262 CG GLU A 16 -19.723 3.785 -8.864 1.00 0.00 C ATOM 263 CD GLU A 16 -20.791 2.869 -9.490 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.781 2.666 -10.724 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.650 2.341 -8.749 1.00 0.00 O ATOM 0 H GLU A 16 -18.666 8.104 -8.885 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.350 5.973 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.114 5.423 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.993 5.520 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.754 3.580 -9.319 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.629 3.563 -7.801 1.00 0.00 H new ATOM 272 N HIS A 17 -16.902 5.328 -7.768 1.00 0.00 N ATOM 273 CA HIS A 17 -15.475 5.096 -7.996 1.00 0.00 C ATOM 274 C HIS A 17 -15.059 3.728 -7.453 1.00 0.00 C ATOM 275 O HIS A 17 -15.790 3.133 -6.660 1.00 0.00 O ATOM 276 CB HIS A 17 -14.646 6.233 -7.375 1.00 0.00 C ATOM 277 CG HIS A 17 -14.315 6.084 -5.912 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.202 5.940 -4.868 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.055 6.114 -5.377 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.486 5.912 -3.729 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.169 6.012 -3.985 1.00 0.00 N ATOM 0 H HIS A 17 -17.238 4.919 -6.896 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.283 5.092 -9.069 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.713 6.322 -7.931 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.189 7.168 -7.511 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.217 5.868 -4.944 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.133 6.201 -5.932 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.912 5.821 -2.741 1.00 0.00 H new ATOM 289 N VAL A 18 -13.901 3.222 -7.882 1.00 0.00 N ATOM 290 CA VAL A 18 -13.342 1.963 -7.397 1.00 0.00 C ATOM 291 C VAL A 18 -12.972 2.161 -5.925 1.00 0.00 C ATOM 292 O VAL A 18 -12.272 3.120 -5.587 1.00 0.00 O ATOM 293 CB VAL A 18 -12.122 1.550 -8.250 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.565 0.195 -7.795 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.472 1.452 -9.746 1.00 0.00 C ATOM 0 H VAL A 18 -13.320 3.681 -8.584 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.067 1.154 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.373 2.329 -8.109 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.707 -0.072 -8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.255 0.261 -6.752 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.336 -0.568 -7.897 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.586 1.159 -10.309 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.255 0.707 -9.888 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.824 2.420 -10.102 1.00 0.00 H new ATOM 305 N GLN A 19 -13.455 1.273 -5.052 1.00 0.00 N ATOM 306 CA GLN A 19 -13.269 1.421 -3.612 1.00 0.00 C ATOM 307 C GLN A 19 -11.782 1.424 -3.225 1.00 0.00 C ATOM 308 O GLN A 19 -10.949 0.802 -3.890 1.00 0.00 O ATOM 309 CB GLN A 19 -14.078 0.355 -2.852 1.00 0.00 C ATOM 310 CG GLN A 19 -13.605 -1.094 -3.067 1.00 0.00 C ATOM 311 CD GLN A 19 -14.406 -2.098 -2.230 1.00 0.00 C ATOM 312 OE1 GLN A 19 -15.616 -1.979 -2.055 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.752 -3.114 -1.691 1.00 0.00 N ATOM 0 H GLN A 19 -13.980 0.441 -5.322 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.656 2.396 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.037 0.581 -1.786 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -15.123 0.429 -3.154 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.695 -1.350 -4.123 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.549 -1.171 -2.810 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.747 -3.210 -1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.253 -3.802 -1.128 1.00 0.00 H new ATOM 322 N GLY A 20 -11.458 2.101 -2.120 1.00 0.00 N ATOM 323 CA GLY A 20 -10.123 2.127 -1.524 1.00 0.00 C ATOM 324 C GLY A 20 -9.170 3.139 -2.172 1.00 0.00 C ATOM 325 O GLY A 20 -8.113 3.420 -1.603 1.00 0.00 O ATOM 0 H GLY A 20 -12.136 2.660 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.215 2.358 -0.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.684 1.132 -1.597 1.00 0.00 H new ATOM 329 N ALA A 21 -9.518 3.694 -3.337 1.00 0.00 N ATOM 330 CA ALA A 21 -8.733 4.718 -4.016 1.00 0.00 C ATOM 331 C ALA A 21 -8.836 6.077 -3.301 1.00 0.00 C ATOM 332 O ALA A 21 -9.660 6.274 -2.402 1.00 0.00 O ATOM 333 CB ALA A 21 -9.227 4.826 -5.464 1.00 0.00 C ATOM 0 H ALA A 21 -10.368 3.437 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.681 4.433 -4.000 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.651 5.588 -5.989 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.100 3.866 -5.964 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.282 5.101 -5.469 1.00 0.00 H new ATOM 339 N ILE A 22 -8.024 7.030 -3.756 1.00 0.00 N ATOM 340 CA ILE A 22 -8.090 8.456 -3.428 1.00 0.00 C ATOM 341 C ILE A 22 -8.476 9.175 -4.734 1.00 0.00 C ATOM 342 O ILE A 22 -8.392 8.572 -5.808 1.00 0.00 O ATOM 343 CB ILE A 22 -6.741 8.911 -2.801 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.775 10.367 -2.282 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.559 8.739 -3.768 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.493 10.795 -1.556 1.00 0.00 C ATOM 0 H ILE A 22 -7.261 6.818 -4.398 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.837 8.698 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.594 8.251 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.947 11.039 -3.123 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.621 10.482 -1.604 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.641 9.071 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.465 7.689 -4.044 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.732 9.335 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.592 11.828 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.330 10.148 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.645 10.714 -2.236 1.00 0.00 H new ATOM 358 N ASN A 23 -8.868 10.451 -4.685 1.00 0.00 N ATOM 359 CA ASN A 23 -9.098 11.253 -5.884 1.00 0.00 C ATOM 360 C ASN A 23 -8.223 12.487 -5.846 1.00 0.00 C ATOM 361 O ASN A 23 -8.259 13.254 -4.880 1.00 0.00 O ATOM 362 CB ASN A 23 -10.570 11.633 -6.038 1.00 0.00 C ATOM 363 CG ASN A 23 -10.825 12.725 -7.084 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.348 13.784 -6.758 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.470 12.515 -8.344 1.00 0.00 N ATOM 0 H ASN A 23 -9.034 10.954 -3.813 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.832 10.652 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.138 10.743 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.950 11.971 -5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.632 13.237 -9.047 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.035 11.632 -8.611 1.00 0.00 H new ATOM 372 N ILE A 24 -7.457 12.677 -6.916 1.00 0.00 N ATOM 373 CA ILE A 24 -6.630 13.848 -7.138 1.00 0.00 C ATOM 374 C ILE A 24 -6.864 14.211 -8.609 1.00 0.00 C ATOM 375 O ILE A 24 -6.185 13.669 -9.478 1.00 0.00 O ATOM 376 CB ILE A 24 -5.144 13.612 -6.773 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.941 12.855 -5.441 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.472 14.989 -6.682 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.467 12.627 -5.098 1.00 0.00 C ATOM 0 H ILE A 24 -7.396 11.996 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.902 14.676 -6.484 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.704 12.981 -7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.413 13.417 -4.635 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.448 11.892 -5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.420 14.864 -6.426 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.554 15.498 -7.642 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.965 15.584 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.392 12.091 -4.152 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.997 12.039 -5.886 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.961 13.588 -5.011 1.00 0.00 H new ATOM 391 N PRO A 25 -7.895 15.019 -8.912 1.00 0.00 N ATOM 392 CA PRO A 25 -8.303 15.311 -10.277 1.00 0.00 C ATOM 393 C PRO A 25 -7.150 15.790 -11.148 1.00 0.00 C ATOM 394 O PRO A 25 -6.350 16.611 -10.706 1.00 0.00 O ATOM 395 CB PRO A 25 -9.362 16.408 -10.165 1.00 0.00 C ATOM 396 CG PRO A 25 -9.955 16.206 -8.775 1.00 0.00 C ATOM 397 CD PRO A 25 -8.775 15.685 -7.965 1.00 0.00 C ATOM 0 HA PRO A 25 -8.679 14.406 -10.755 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.922 17.400 -10.271 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.121 16.311 -10.941 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.345 17.137 -8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.780 15.493 -8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.258 16.502 -7.461 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.109 14.994 -7.191 1.00 0.00 H new ATOM 405 N LEU A 26 -7.131 15.396 -12.421 1.00 0.00 N ATOM 406 CA LEU A 26 -6.183 15.889 -13.427 1.00 0.00 C ATOM 407 C LEU A 26 -6.249 17.427 -13.565 1.00 0.00 C ATOM 408 O LEU A 26 -5.271 18.061 -13.956 1.00 0.00 O ATOM 409 CB LEU A 26 -6.451 15.095 -14.722 1.00 0.00 C ATOM 410 CG LEU A 26 -5.512 15.218 -15.940 1.00 0.00 C ATOM 411 CD1 LEU A 26 -6.018 16.238 -16.963 1.00 0.00 C ATOM 412 CD2 LEU A 26 -4.036 15.414 -15.588 1.00 0.00 C ATOM 0 H LEU A 26 -7.788 14.710 -12.793 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.147 15.716 -13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.482 14.040 -14.449 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.451 15.366 -15.061 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.547 14.240 -16.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.323 16.288 -17.801 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.001 15.934 -17.324 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.091 17.219 -16.493 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.451 15.490 -16.504 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.919 16.328 -15.005 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.685 14.564 -15.003 1.00 0.00 H new ATOM 424 N LYS A 27 -7.363 18.046 -13.151 1.00 0.00 N ATOM 425 CA LYS A 27 -7.516 19.495 -13.010 1.00 0.00 C ATOM 426 C LYS A 27 -6.513 20.121 -12.024 1.00 0.00 C ATOM 427 O LYS A 27 -6.116 21.268 -12.227 1.00 0.00 O ATOM 428 CB LYS A 27 -8.967 19.779 -12.573 1.00 0.00 C ATOM 429 CG LYS A 27 -9.340 21.268 -12.636 1.00 0.00 C ATOM 430 CD LYS A 27 -10.823 21.476 -12.288 1.00 0.00 C ATOM 431 CE LYS A 27 -11.218 22.962 -12.256 1.00 0.00 C ATOM 432 NZ LYS A 27 -11.176 23.608 -13.593 1.00 0.00 N ATOM 0 H LYS A 27 -8.207 17.533 -12.898 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.301 19.959 -13.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.648 19.214 -13.209 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.109 19.419 -11.554 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.717 21.833 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.139 21.656 -13.635 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.441 20.955 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.031 21.027 -11.317 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.224 23.055 -11.846 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.548 23.495 -11.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.452 24.607 -13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.212 23.548 -13.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.835 23.122 -14.234 1.00 0.00 H new ATOM 446 N GLU A 28 -6.104 19.407 -10.969 1.00 0.00 N ATOM 447 CA GLU A 28 -5.334 19.955 -9.842 1.00 0.00 C ATOM 448 C GLU A 28 -4.149 19.067 -9.418 1.00 0.00 C ATOM 449 O GLU A 28 -3.386 19.451 -8.531 1.00 0.00 O ATOM 450 CB GLU A 28 -6.277 20.245 -8.649 1.00 0.00 C ATOM 451 CG GLU A 28 -7.192 19.077 -8.226 1.00 0.00 C ATOM 452 CD GLU A 28 -7.653 19.201 -6.764 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.412 20.141 -6.434 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.276 18.333 -5.942 1.00 0.00 O ATOM 0 H GLU A 28 -6.302 18.411 -10.871 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.889 20.889 -10.185 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.670 20.537 -7.792 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.903 21.100 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.064 19.046 -8.879 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.661 18.135 -8.359 1.00 0.00 H new ATOM 461 N VAL A 29 -3.962 17.899 -10.041 1.00 0.00 N ATOM 462 CA VAL A 29 -3.026 16.863 -9.602 1.00 0.00 C ATOM 463 C VAL A 29 -1.600 17.368 -9.381 1.00 0.00 C ATOM 464 O VAL A 29 -0.980 16.975 -8.392 1.00 0.00 O ATOM 465 CB VAL A 29 -3.132 15.637 -10.541 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.697 15.952 -11.977 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.347 14.419 -10.042 1.00 0.00 C ATOM 0 H VAL A 29 -4.472 17.643 -10.887 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.321 16.540 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.193 15.388 -10.536 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.792 15.056 -12.591 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.330 16.740 -12.384 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.659 16.284 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.465 13.596 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.291 14.676 -9.958 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.726 14.117 -9.066 1.00 0.00 H new ATOM 477 N LYS A 30 -1.093 18.281 -10.217 1.00 0.00 N ATOM 478 CA LYS A 30 0.275 18.794 -10.094 1.00 0.00 C ATOM 479 C LYS A 30 0.535 19.433 -8.727 1.00 0.00 C ATOM 480 O LYS A 30 1.679 19.447 -8.275 1.00 0.00 O ATOM 481 CB LYS A 30 0.575 19.816 -11.203 1.00 0.00 C ATOM 482 CG LYS A 30 0.544 19.207 -12.614 1.00 0.00 C ATOM 483 CD LYS A 30 0.929 20.261 -13.662 1.00 0.00 C ATOM 484 CE LYS A 30 0.906 19.660 -15.074 1.00 0.00 C ATOM 485 NZ LYS A 30 1.267 20.660 -16.112 1.00 0.00 N ATOM 0 H LYS A 30 -1.617 18.683 -10.994 1.00 0.00 H new ATOM 0 HA LYS A 30 0.940 17.937 -10.197 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.153 20.626 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 30 1.556 20.256 -11.026 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.232 18.363 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.452 18.820 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.238 21.102 -13.609 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.923 20.651 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.600 18.821 -15.122 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.088 19.264 -15.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.239 20.212 -17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.590 21.449 -16.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.225 21.020 -15.929 1.00 0.00 H new ATOM 499 N GLU A 31 -0.501 19.955 -8.066 1.00 0.00 N ATOM 500 CA GLU A 31 -0.373 20.672 -6.802 1.00 0.00 C ATOM 501 C GLU A 31 -0.514 19.739 -5.590 1.00 0.00 C ATOM 502 O GLU A 31 -0.289 20.187 -4.463 1.00 0.00 O ATOM 503 CB GLU A 31 -1.434 21.787 -6.736 1.00 0.00 C ATOM 504 CG GLU A 31 -1.277 22.827 -7.858 1.00 0.00 C ATOM 505 CD GLU A 31 -2.273 23.988 -7.694 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.963 24.968 -6.977 1.00 0.00 O ATOM 507 OE2 GLU A 31 -3.369 23.951 -8.299 1.00 0.00 O ATOM 0 H GLU A 31 -1.462 19.889 -8.400 1.00 0.00 H new ATOM 0 HA GLU A 31 0.627 21.104 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.427 21.341 -6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.368 22.288 -5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.259 23.216 -7.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.432 22.347 -8.824 1.00 0.00 H new ATOM 514 N ARG A 32 -0.888 18.462 -5.779 1.00 0.00 N ATOM 515 CA ARG A 32 -1.282 17.585 -4.666 1.00 0.00 C ATOM 516 C ARG A 32 -0.754 16.154 -4.774 1.00 0.00 C ATOM 517 O ARG A 32 -0.718 15.458 -3.759 1.00 0.00 O ATOM 518 CB ARG A 32 -2.818 17.663 -4.535 1.00 0.00 C ATOM 519 CG ARG A 32 -3.371 17.020 -3.251 1.00 0.00 C ATOM 520 CD ARG A 32 -4.739 17.604 -2.858 1.00 0.00 C ATOM 521 NE ARG A 32 -5.834 17.205 -3.757 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.614 16.126 -3.647 1.00 0.00 C ATOM 523 NH1 ARG A 32 -6.386 15.178 -2.740 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.631 16.015 -4.484 1.00 0.00 N ATOM 0 H ARG A 32 -0.925 18.014 -6.695 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.811 17.942 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.122 18.709 -4.565 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.271 17.175 -5.398 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.464 15.944 -3.395 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.664 17.172 -2.436 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.981 17.288 -1.843 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.670 18.692 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.017 17.819 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.595 15.263 -2.101 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.002 14.367 -2.684 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.798 16.739 -5.183 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.249 15.205 -4.431 1.00 0.00 H new ATOM 538 N ILE A 33 -0.282 15.709 -5.942 1.00 0.00 N ATOM 539 CA ILE A 33 0.312 14.380 -6.084 1.00 0.00 C ATOM 540 C ILE A 33 1.518 14.212 -5.155 1.00 0.00 C ATOM 541 O ILE A 33 1.643 13.169 -4.518 1.00 0.00 O ATOM 542 CB ILE A 33 0.633 14.072 -7.565 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.162 12.633 -7.758 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.613 15.068 -8.226 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.174 11.537 -7.344 1.00 0.00 C ATOM 0 H ILE A 33 -0.301 16.253 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.419 13.635 -5.769 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.326 14.181 -8.071 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.424 12.492 -8.807 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.080 12.515 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.783 14.778 -9.263 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.188 16.071 -8.195 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.560 15.058 -7.687 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.624 10.559 -7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.070 11.648 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.736 11.624 -7.938 1.00 0.00 H new ATOM 557 N ALA A 34 2.359 15.244 -5.011 1.00 0.00 N ATOM 558 CA ALA A 34 3.518 15.191 -4.126 1.00 0.00 C ATOM 559 C ALA A 34 3.101 14.990 -2.664 1.00 0.00 C ATOM 560 O ALA A 34 3.814 14.331 -1.911 1.00 0.00 O ATOM 561 CB ALA A 34 4.345 16.472 -4.280 1.00 0.00 C ATOM 0 H ALA A 34 2.252 16.131 -5.503 1.00 0.00 H new ATOM 0 HA ALA A 34 4.127 14.333 -4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.210 16.429 -3.618 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.683 16.565 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.732 17.335 -4.020 1.00 0.00 H new ATOM 567 N THR A 35 1.954 15.537 -2.256 1.00 0.00 N ATOM 568 CA THR A 35 1.430 15.389 -0.906 1.00 0.00 C ATOM 569 C THR A 35 0.993 13.934 -0.672 1.00 0.00 C ATOM 570 O THR A 35 1.293 13.362 0.378 1.00 0.00 O ATOM 571 CB THR A 35 0.262 16.379 -0.710 1.00 0.00 C ATOM 572 OG1 THR A 35 0.557 17.624 -1.327 1.00 0.00 O ATOM 573 CG2 THR A 35 -0.025 16.625 0.775 1.00 0.00 C ATOM 0 H THR A 35 1.360 16.101 -2.864 1.00 0.00 H new ATOM 0 HA THR A 35 2.202 15.620 -0.172 1.00 0.00 H new ATOM 0 HB THR A 35 -0.618 15.931 -1.172 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.194 18.240 -1.196 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.853 17.327 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.288 15.683 1.256 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.862 17.041 1.253 1.00 0.00 H new ATOM 581 N ALA A 36 0.304 13.325 -1.647 1.00 0.00 N ATOM 582 CA ALA A 36 -0.215 11.967 -1.521 1.00 0.00 C ATOM 583 C ALA A 36 0.885 10.909 -1.673 1.00 0.00 C ATOM 584 O ALA A 36 0.859 9.899 -0.969 1.00 0.00 O ATOM 585 CB ALA A 36 -1.301 11.746 -2.576 1.00 0.00 C ATOM 0 H ALA A 36 0.094 13.765 -2.543 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.631 11.857 -0.519 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.693 10.733 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.108 12.462 -2.423 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.876 11.885 -3.570 1.00 0.00 H new ATOM 591 N VAL A 37 1.839 11.132 -2.580 1.00 0.00 N ATOM 592 CA VAL A 37 2.867 10.173 -2.968 1.00 0.00 C ATOM 593 C VAL A 37 4.190 10.949 -3.093 1.00 0.00 C ATOM 594 O VAL A 37 4.587 11.318 -4.202 1.00 0.00 O ATOM 595 CB VAL A 37 2.469 9.418 -4.265 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.407 8.218 -4.479 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.023 8.890 -4.256 1.00 0.00 C ATOM 0 H VAL A 37 1.917 12.018 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 37 2.984 9.392 -2.216 1.00 0.00 H new ATOM 0 HB VAL A 37 2.553 10.148 -5.070 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.123 7.692 -5.390 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.434 8.571 -4.569 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.329 7.539 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.818 8.374 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.894 8.196 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.332 9.725 -4.142 1.00 0.00 H new ATOM 607 N PRO A 38 4.870 11.258 -1.974 1.00 0.00 N ATOM 608 CA PRO A 38 6.132 11.988 -2.015 1.00 0.00 C ATOM 609 C PRO A 38 7.270 11.129 -2.584 1.00 0.00 C ATOM 610 O PRO A 38 8.196 11.667 -3.194 1.00 0.00 O ATOM 611 CB PRO A 38 6.407 12.409 -0.567 1.00 0.00 C ATOM 612 CG PRO A 38 5.672 11.360 0.267 1.00 0.00 C ATOM 613 CD PRO A 38 4.464 11.003 -0.598 1.00 0.00 C ATOM 0 HA PRO A 38 6.071 12.852 -2.677 1.00 0.00 H new ATOM 0 HB2 PRO A 38 7.475 12.416 -0.349 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.034 13.413 -0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.299 10.490 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.369 11.757 1.236 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.180 9.960 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.598 11.607 -0.328 1.00 0.00 H new ATOM 621 N ASP A 39 7.222 9.806 -2.391 1.00 0.00 N ATOM 622 CA ASP A 39 8.250 8.889 -2.873 1.00 0.00 C ATOM 623 C ASP A 39 7.972 8.521 -4.329 1.00 0.00 C ATOM 624 O ASP A 39 7.111 7.687 -4.617 1.00 0.00 O ATOM 625 CB ASP A 39 8.330 7.628 -2.003 1.00 0.00 C ATOM 626 CG ASP A 39 9.375 6.633 -2.544 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.232 7.026 -3.368 1.00 0.00 O ATOM 628 OD2 ASP A 39 9.355 5.458 -2.115 1.00 0.00 O ATOM 0 H ASP A 39 6.462 9.343 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 39 9.215 9.392 -2.808 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.586 7.906 -0.981 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.353 7.147 -1.967 1.00 0.00 H new ATOM 633 N LYS A 40 8.708 9.139 -5.256 1.00 0.00 N ATOM 634 CA LYS A 40 8.556 8.910 -6.692 1.00 0.00 C ATOM 635 C LYS A 40 8.867 7.468 -7.115 1.00 0.00 C ATOM 636 O LYS A 40 8.494 7.080 -8.224 1.00 0.00 O ATOM 637 CB LYS A 40 9.413 9.919 -7.479 1.00 0.00 C ATOM 638 CG LYS A 40 8.939 11.365 -7.258 1.00 0.00 C ATOM 639 CD LYS A 40 9.674 12.358 -8.166 1.00 0.00 C ATOM 640 CE LYS A 40 9.188 13.782 -7.862 1.00 0.00 C ATOM 641 NZ LYS A 40 9.867 14.800 -8.701 1.00 0.00 N ATOM 0 H LYS A 40 9.433 9.819 -5.027 1.00 0.00 H new ATOM 0 HA LYS A 40 7.504 9.066 -6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.455 9.827 -7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.371 9.681 -8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.867 11.427 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.097 11.642 -6.216 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.750 12.287 -8.006 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.491 12.115 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.112 13.839 -8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.363 14.006 -6.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.582 15.751 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.897 14.698 -8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.598 14.665 -9.696 1.00 0.00 H new ATOM 655 N ASN A 41 9.540 6.674 -6.272 1.00 0.00 N ATOM 656 CA ASN A 41 9.812 5.264 -6.549 1.00 0.00 C ATOM 657 C ASN A 41 8.574 4.388 -6.312 1.00 0.00 C ATOM 658 O ASN A 41 8.523 3.263 -6.807 1.00 0.00 O ATOM 659 CB ASN A 41 10.968 4.775 -5.662 1.00 0.00 C ATOM 660 CG ASN A 41 11.365 3.331 -5.963 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.943 3.037 -7.005 1.00 0.00 O ATOM 662 ND2 ASN A 41 11.106 2.407 -5.050 1.00 0.00 N ATOM 0 H ASN A 41 9.911 6.995 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 41 10.086 5.178 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.832 5.424 -5.806 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.678 4.858 -4.614 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.388 1.440 -5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.625 2.663 -4.188 1.00 0.00 H new ATOM 669 N ASP A 42 7.587 4.851 -5.537 1.00 0.00 N ATOM 670 CA ASP A 42 6.425 4.028 -5.193 1.00 0.00 C ATOM 671 C ASP A 42 5.449 3.949 -6.372 1.00 0.00 C ATOM 672 O ASP A 42 5.341 4.895 -7.158 1.00 0.00 O ATOM 673 CB ASP A 42 5.722 4.569 -3.945 1.00 0.00 C ATOM 674 CG ASP A 42 4.781 3.505 -3.365 1.00 0.00 C ATOM 675 OD1 ASP A 42 5.285 2.434 -2.958 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.558 3.740 -3.296 1.00 0.00 O ATOM 0 H ASP A 42 7.571 5.789 -5.137 1.00 0.00 H new ATOM 0 HA ASP A 42 6.778 3.021 -4.972 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.462 4.857 -3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.157 5.466 -4.197 1.00 0.00 H new ATOM 681 N THR A 43 4.754 2.820 -6.521 1.00 0.00 N ATOM 682 CA THR A 43 3.857 2.573 -7.646 1.00 0.00 C ATOM 683 C THR A 43 2.599 3.447 -7.536 1.00 0.00 C ATOM 684 O THR A 43 2.094 3.700 -6.440 1.00 0.00 O ATOM 685 CB THR A 43 3.518 1.070 -7.689 1.00 0.00 C ATOM 686 OG1 THR A 43 4.694 0.287 -7.531 1.00 0.00 O ATOM 687 CG2 THR A 43 2.820 0.639 -8.984 1.00 0.00 C ATOM 0 H THR A 43 4.800 2.046 -5.858 1.00 0.00 H new ATOM 0 HA THR A 43 4.345 2.845 -8.582 1.00 0.00 H new ATOM 0 HB THR A 43 2.826 0.903 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.460 -0.664 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.611 -0.430 -8.946 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.885 1.188 -9.093 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.467 0.852 -9.835 1.00 0.00 H new ATOM 695 N VAL A 44 2.039 3.857 -8.675 1.00 0.00 N ATOM 696 CA VAL A 44 0.791 4.603 -8.750 1.00 0.00 C ATOM 697 C VAL A 44 -0.011 4.014 -9.912 1.00 0.00 C ATOM 698 O VAL A 44 0.549 3.667 -10.955 1.00 0.00 O ATOM 699 CB VAL A 44 1.071 6.112 -8.939 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.223 6.931 -8.854 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.050 6.686 -7.901 1.00 0.00 C ATOM 0 H VAL A 44 2.453 3.673 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 44 0.219 4.516 -7.826 1.00 0.00 H new ATOM 0 HB VAL A 44 1.521 6.192 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.006 7.988 -8.991 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.912 6.605 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.684 6.783 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.201 7.748 -8.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.639 6.552 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.004 6.165 -7.974 1.00 0.00 H new ATOM 711 N LYS A 45 -1.326 3.908 -9.742 1.00 0.00 N ATOM 712 CA LYS A 45 -2.243 3.382 -10.742 1.00 0.00 C ATOM 713 C LYS A 45 -3.322 4.435 -10.918 1.00 0.00 C ATOM 714 O LYS A 45 -3.971 4.807 -9.938 1.00 0.00 O ATOM 715 CB LYS A 45 -2.796 2.023 -10.277 1.00 0.00 C ATOM 716 CG LYS A 45 -1.723 0.931 -10.426 1.00 0.00 C ATOM 717 CD LYS A 45 -2.171 -0.416 -9.849 1.00 0.00 C ATOM 718 CE LYS A 45 -1.086 -1.466 -10.133 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.314 -2.733 -9.399 1.00 0.00 N ATOM 0 H LYS A 45 -1.793 4.194 -8.881 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.760 3.193 -11.701 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.115 2.089 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.676 1.760 -10.864 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.479 0.807 -11.481 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.810 1.252 -9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.339 -0.329 -8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.117 -0.721 -10.296 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.055 -1.671 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.112 -1.061 -9.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.719 -3.482 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.069 -2.603 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.315 -3.005 -9.478 1.00 0.00 H new ATOM 733 N VAL A 46 -3.487 4.944 -12.137 1.00 0.00 N ATOM 734 CA VAL A 46 -4.392 6.055 -12.410 1.00 0.00 C ATOM 735 C VAL A 46 -5.530 5.569 -13.297 1.00 0.00 C ATOM 736 O VAL A 46 -5.315 4.787 -14.232 1.00 0.00 O ATOM 737 CB VAL A 46 -3.637 7.281 -12.977 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.676 7.864 -11.931 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.834 7.000 -14.257 1.00 0.00 C ATOM 0 H VAL A 46 -2.997 4.597 -12.962 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.833 6.408 -11.478 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.424 7.990 -13.233 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.157 8.725 -12.353 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.240 8.176 -11.052 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.947 7.106 -11.644 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.338 7.914 -14.583 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.086 6.233 -14.056 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.508 6.653 -15.041 1.00 0.00 H new ATOM 749 N TYR A 47 -6.741 6.038 -13.018 1.00 0.00 N ATOM 750 CA TYR A 47 -7.928 5.771 -13.815 1.00 0.00 C ATOM 751 C TYR A 47 -8.835 6.997 -13.748 1.00 0.00 C ATOM 752 O TYR A 47 -8.654 7.855 -12.881 1.00 0.00 O ATOM 753 CB TYR A 47 -8.642 4.504 -13.313 1.00 0.00 C ATOM 754 CG TYR A 47 -9.404 4.649 -12.007 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.738 4.503 -10.775 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.788 4.920 -12.030 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.453 4.610 -9.568 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.506 5.036 -10.829 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.843 4.869 -9.594 1.00 0.00 C ATOM 760 OH TYR A 47 -11.559 4.951 -8.439 1.00 0.00 O ATOM 0 H TYR A 47 -6.927 6.630 -12.209 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.654 5.586 -14.854 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.338 4.173 -14.083 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.900 3.715 -13.193 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.676 4.308 -10.757 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.297 5.039 -12.975 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.941 4.495 -8.624 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.564 5.253 -10.850 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.982 5.282 -7.719 1.00 0.00 H new ATOM 770 N CYS A 48 -9.820 7.084 -14.640 1.00 0.00 N ATOM 771 CA CYS A 48 -10.836 8.121 -14.594 1.00 0.00 C ATOM 772 C CYS A 48 -12.136 7.558 -15.158 1.00 0.00 C ATOM 773 O CYS A 48 -12.399 6.371 -14.985 1.00 0.00 O ATOM 774 CB CYS A 48 -10.337 9.398 -15.290 1.00 0.00 C ATOM 775 SG CYS A 48 -10.161 9.193 -17.087 1.00 0.00 S ATOM 0 H CYS A 48 -9.932 6.432 -15.416 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.042 8.425 -13.568 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.032 10.213 -15.088 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.376 9.687 -14.865 1.00 0.00 H new ATOM 0 HG CYS A 48 -9.166 8.395 -17.337 1.00 0.00 H new ATOM 781 N ASN A 49 -12.963 8.375 -15.820 1.00 0.00 N ATOM 782 CA ASN A 49 -14.231 7.915 -16.381 1.00 0.00 C ATOM 783 C ASN A 49 -13.984 6.858 -17.458 1.00 0.00 C ATOM 784 O ASN A 49 -14.628 5.810 -17.439 1.00 0.00 O ATOM 785 CB ASN A 49 -15.020 9.111 -16.950 1.00 0.00 C ATOM 786 CG ASN A 49 -16.501 8.802 -17.173 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.359 9.563 -16.734 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.842 7.708 -17.834 1.00 0.00 N ATOM 0 H ASN A 49 -12.772 9.364 -15.979 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.825 7.457 -15.590 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -14.930 9.956 -16.267 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.573 9.417 -17.896 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.827 7.489 -17.984 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.120 7.084 -18.194 1.00 0.00 H new ATOM 795 N ALA A 50 -13.075 7.132 -18.400 1.00 0.00 N ATOM 796 CA ALA A 50 -12.828 6.266 -19.554 1.00 0.00 C ATOM 797 C ALA A 50 -11.365 6.238 -20.029 1.00 0.00 C ATOM 798 O ALA A 50 -10.986 5.255 -20.669 1.00 0.00 O ATOM 799 CB ALA A 50 -13.741 6.701 -20.708 1.00 0.00 C ATOM 0 H ALA A 50 -12.488 7.966 -18.382 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.050 5.249 -19.231 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.564 6.061 -21.573 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.783 6.615 -20.400 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.525 7.736 -20.972 1.00 0.00 H new ATOM 805 N GLY A 51 -10.534 7.251 -19.733 1.00 0.00 N ATOM 806 CA GLY A 51 -9.097 7.172 -20.021 1.00 0.00 C ATOM 807 C GLY A 51 -8.356 8.506 -20.137 1.00 0.00 C ATOM 808 O GLY A 51 -7.168 8.541 -19.823 1.00 0.00 O ATOM 0 H GLY A 51 -10.831 8.125 -19.299 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.622 6.584 -19.236 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.964 6.624 -20.954 1.00 0.00 H new ATOM 812 N ARG A 52 -8.998 9.602 -20.573 1.00 0.00 N ATOM 813 CA ARG A 52 -8.295 10.873 -20.846 1.00 0.00 C ATOM 814 C ARG A 52 -7.560 11.397 -19.637 1.00 0.00 C ATOM 815 O ARG A 52 -6.340 11.525 -19.712 1.00 0.00 O ATOM 816 CB ARG A 52 -9.224 11.933 -21.460 1.00 0.00 C ATOM 817 CG ARG A 52 -9.690 11.549 -22.874 1.00 0.00 C ATOM 818 CD ARG A 52 -10.572 12.650 -23.475 1.00 0.00 C ATOM 819 NE ARG A 52 -11.029 12.297 -24.831 1.00 0.00 N ATOM 820 CZ ARG A 52 -11.824 13.047 -25.607 1.00 0.00 C ATOM 821 NH1 ARG A 52 -12.278 14.224 -25.179 1.00 0.00 N ATOM 822 NH2 ARG A 52 -12.165 12.612 -26.816 1.00 0.00 N ATOM 0 H ARG A 52 -10.003 9.637 -20.745 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.537 10.647 -21.596 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.094 12.068 -20.817 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.705 12.890 -21.498 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.824 11.381 -23.514 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.245 10.612 -22.837 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.435 12.818 -22.831 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.014 13.586 -23.510 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.713 11.405 -25.212 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.021 14.563 -24.252 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.882 14.786 -25.778 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.822 11.711 -27.149 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.770 13.179 -27.410 1.00 0.00 H new ATOM 836 N GLN A 53 -8.251 11.631 -18.521 1.00 0.00 N ATOM 837 CA GLN A 53 -7.580 12.156 -17.337 1.00 0.00 C ATOM 838 C GLN A 53 -6.483 11.179 -16.890 1.00 0.00 C ATOM 839 O GLN A 53 -5.442 11.625 -16.418 1.00 0.00 O ATOM 840 CB GLN A 53 -8.543 12.463 -16.177 1.00 0.00 C ATOM 841 CG GLN A 53 -9.630 13.525 -16.421 1.00 0.00 C ATOM 842 CD GLN A 53 -10.889 12.913 -17.031 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.746 12.392 -16.324 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.011 12.930 -18.347 1.00 0.00 N ATOM 0 H GLN A 53 -9.252 11.469 -18.414 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.135 13.111 -17.617 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.038 11.534 -15.895 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.948 12.780 -15.320 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.882 14.012 -15.479 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.242 14.297 -17.085 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.290 13.367 -18.920 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.827 12.506 -18.789 1.00 0.00 H new ATOM 853 N SER A 54 -6.682 9.870 -17.067 1.00 0.00 N ATOM 854 CA SER A 54 -5.712 8.848 -16.687 1.00 0.00 C ATOM 855 C SER A 54 -4.420 8.969 -17.494 1.00 0.00 C ATOM 856 O SER A 54 -3.338 9.034 -16.914 1.00 0.00 O ATOM 857 CB SER A 54 -6.282 7.443 -16.884 1.00 0.00 C ATOM 858 OG SER A 54 -7.681 7.374 -16.689 1.00 0.00 O ATOM 0 H SER A 54 -7.532 9.489 -17.483 1.00 0.00 H new ATOM 0 HA SER A 54 -5.491 9.008 -15.632 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.045 7.100 -17.891 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.792 6.759 -16.191 1.00 0.00 H new ATOM 0 HG SER A 54 -8.009 6.499 -16.983 1.00 0.00 H new ATOM 864 N GLY A 55 -4.521 9.006 -18.825 1.00 0.00 N ATOM 865 CA GLY A 55 -3.365 9.077 -19.706 1.00 0.00 C ATOM 866 C GLY A 55 -2.670 10.420 -19.534 1.00 0.00 C ATOM 867 O GLY A 55 -1.450 10.472 -19.386 1.00 0.00 O ATOM 0 H GLY A 55 -5.413 8.987 -19.319 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.672 8.267 -19.479 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.677 8.948 -20.742 1.00 0.00 H new ATOM 871 N GLN A 56 -3.461 11.493 -19.457 1.00 0.00 N ATOM 872 CA GLN A 56 -2.987 12.837 -19.178 1.00 0.00 C ATOM 873 C GLN A 56 -2.180 12.858 -17.869 1.00 0.00 C ATOM 874 O GLN A 56 -1.067 13.385 -17.849 1.00 0.00 O ATOM 875 CB GLN A 56 -4.197 13.785 -19.135 1.00 0.00 C ATOM 876 CG GLN A 56 -4.725 14.142 -20.534 1.00 0.00 C ATOM 877 CD GLN A 56 -5.982 15.016 -20.458 1.00 0.00 C ATOM 878 OE1 GLN A 56 -7.032 14.598 -19.974 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.911 16.254 -20.923 1.00 0.00 N ATOM 0 H GLN A 56 -4.471 11.443 -19.591 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.313 13.175 -19.965 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.996 13.320 -18.558 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.917 14.700 -18.613 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.950 14.667 -21.093 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.950 13.227 -21.083 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.039 16.599 -21.324 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.728 16.863 -20.880 1.00 0.00 H new ATOM 888 N ALA A 57 -2.699 12.248 -16.794 1.00 0.00 N ATOM 889 CA ALA A 57 -2.002 12.154 -15.517 1.00 0.00 C ATOM 890 C ALA A 57 -0.725 11.321 -15.647 1.00 0.00 C ATOM 891 O ALA A 57 0.333 11.757 -15.200 1.00 0.00 O ATOM 892 CB ALA A 57 -2.923 11.569 -14.439 1.00 0.00 C ATOM 0 H ALA A 57 -3.618 11.806 -16.793 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.716 13.162 -15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.384 11.507 -13.494 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.795 12.211 -14.318 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.246 10.572 -14.738 1.00 0.00 H new ATOM 898 N LYS A 58 -0.788 10.137 -16.266 1.00 0.00 N ATOM 899 CA LYS A 58 0.382 9.271 -16.406 1.00 0.00 C ATOM 900 C LYS A 58 1.499 10.019 -17.125 1.00 0.00 C ATOM 901 O LYS A 58 2.646 9.937 -16.685 1.00 0.00 O ATOM 902 CB LYS A 58 -0.016 7.945 -17.086 1.00 0.00 C ATOM 903 CG LYS A 58 1.106 6.888 -17.116 1.00 0.00 C ATOM 904 CD LYS A 58 1.968 6.953 -18.390 1.00 0.00 C ATOM 905 CE LYS A 58 3.059 5.871 -18.465 1.00 0.00 C ATOM 906 NZ LYS A 58 4.076 5.974 -17.388 1.00 0.00 N ATOM 0 H LYS A 58 -1.641 9.758 -16.678 1.00 0.00 H new ATOM 0 HA LYS A 58 0.773 9.003 -15.425 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.879 7.528 -16.566 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.330 8.154 -18.109 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.747 7.023 -16.245 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.663 5.895 -17.035 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.319 6.860 -19.260 1.00 0.00 H new ATOM 0 HD3 LYS A 58 2.440 7.934 -18.447 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.589 4.889 -18.416 1.00 0.00 H new ATOM 0 HE3 LYS A 58 3.558 5.937 -19.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.936 5.463 -17.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.306 6.975 -17.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.699 5.556 -16.513 1.00 0.00 H new ATOM 920 N GLU A 59 1.189 10.764 -18.186 1.00 0.00 N ATOM 921 CA GLU A 59 2.185 11.520 -18.932 1.00 0.00 C ATOM 922 C GLU A 59 2.844 12.581 -18.047 1.00 0.00 C ATOM 923 O GLU A 59 4.073 12.586 -17.945 1.00 0.00 O ATOM 924 CB GLU A 59 1.563 12.145 -20.192 1.00 0.00 C ATOM 925 CG GLU A 59 1.350 11.102 -21.298 1.00 0.00 C ATOM 926 CD GLU A 59 0.766 11.736 -22.574 1.00 0.00 C ATOM 927 OE1 GLU A 59 1.539 12.284 -23.393 1.00 0.00 O ATOM 928 OE2 GLU A 59 -0.465 11.673 -22.791 1.00 0.00 O ATOM 0 H GLU A 59 0.240 10.858 -18.549 1.00 0.00 H new ATOM 0 HA GLU A 59 2.966 10.831 -19.254 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.608 12.605 -19.937 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.211 12.940 -20.561 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.300 10.621 -21.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.678 10.323 -20.939 1.00 0.00 H new ATOM 935 N ILE A 60 2.081 13.457 -17.377 1.00 0.00 N ATOM 936 CA ILE A 60 2.695 14.520 -16.592 1.00 0.00 C ATOM 937 C ILE A 60 3.448 13.957 -15.386 1.00 0.00 C ATOM 938 O ILE A 60 4.501 14.491 -15.054 1.00 0.00 O ATOM 939 CB ILE A 60 1.673 15.601 -16.192 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.617 15.058 -15.209 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.069 16.237 -17.460 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.498 16.032 -14.856 1.00 0.00 C ATOM 0 H ILE A 60 1.061 13.447 -17.366 1.00 0.00 H new ATOM 0 HA ILE A 60 3.432 15.013 -17.226 1.00 0.00 H new ATOM 0 HB ILE A 60 2.183 16.393 -15.643 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.172 14.160 -15.638 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.120 14.757 -14.290 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.346 17.001 -17.175 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.863 16.691 -18.053 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.570 15.468 -18.050 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.189 15.557 -14.160 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.071 16.922 -14.393 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.034 16.316 -15.762 1.00 0.00 H new ATOM 954 N LEU A 61 2.978 12.877 -14.751 1.00 0.00 N ATOM 955 CA LEU A 61 3.698 12.306 -13.617 1.00 0.00 C ATOM 956 C LEU A 61 5.002 11.663 -14.086 1.00 0.00 C ATOM 957 O LEU A 61 6.013 11.774 -13.389 1.00 0.00 O ATOM 958 CB LEU A 61 2.839 11.308 -12.824 1.00 0.00 C ATOM 959 CG LEU A 61 1.590 11.900 -12.137 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.989 10.875 -11.167 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.862 13.211 -11.397 1.00 0.00 C ATOM 0 H LEU A 61 2.117 12.391 -15.001 1.00 0.00 H new ATOM 0 HA LEU A 61 3.937 13.122 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.518 10.515 -13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.465 10.843 -12.062 1.00 0.00 H new ATOM 0 HG LEU A 61 0.883 12.131 -12.934 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.108 11.301 -10.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.704 9.978 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.727 10.617 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.940 13.568 -10.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.610 13.043 -10.623 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.230 13.957 -12.102 1.00 0.00 H new ATOM 973 N SER A 62 5.010 11.053 -15.275 1.00 0.00 N ATOM 974 CA SER A 62 6.236 10.543 -15.873 1.00 0.00 C ATOM 975 C SER A 62 7.216 11.699 -16.127 1.00 0.00 C ATOM 976 O SER A 62 8.397 11.588 -15.797 1.00 0.00 O ATOM 977 CB SER A 62 5.927 9.750 -17.152 1.00 0.00 C ATOM 978 OG SER A 62 4.976 8.721 -16.904 1.00 0.00 O ATOM 0 H SER A 62 4.174 10.903 -15.840 1.00 0.00 H new ATOM 0 HA SER A 62 6.714 9.851 -15.180 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.545 10.425 -17.918 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.846 9.313 -17.543 1.00 0.00 H new ATOM 0 HG SER A 62 4.098 9.121 -16.732 1.00 0.00 H new ATOM 984 N GLU A 63 6.733 12.837 -16.641 1.00 0.00 N ATOM 985 CA GLU A 63 7.552 14.026 -16.877 1.00 0.00 C ATOM 986 C GLU A 63 8.074 14.616 -15.554 1.00 0.00 C ATOM 987 O GLU A 63 9.231 15.032 -15.478 1.00 0.00 O ATOM 988 CB GLU A 63 6.732 15.047 -17.685 1.00 0.00 C ATOM 989 CG GLU A 63 7.577 16.243 -18.145 1.00 0.00 C ATOM 990 CD GLU A 63 6.769 17.192 -19.048 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.123 18.132 -18.530 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.791 17.027 -20.289 1.00 0.00 O ATOM 0 H GLU A 63 5.755 12.956 -16.906 1.00 0.00 H new ATOM 0 HA GLU A 63 8.434 13.752 -17.457 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.300 14.554 -18.556 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.901 15.405 -17.077 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.940 16.789 -17.274 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.453 15.884 -18.685 1.00 0.00 H new ATOM 999 N MET A 64 7.254 14.603 -14.497 1.00 0.00 N ATOM 1000 CA MET A 64 7.616 15.043 -13.148 1.00 0.00 C ATOM 1001 C MET A 64 8.613 14.089 -12.471 1.00 0.00 C ATOM 1002 O MET A 64 9.113 14.407 -11.390 1.00 0.00 O ATOM 1003 CB MET A 64 6.349 15.212 -12.287 1.00 0.00 C ATOM 1004 CG MET A 64 5.518 16.433 -12.708 1.00 0.00 C ATOM 1005 SD MET A 64 3.850 16.532 -11.990 1.00 0.00 S ATOM 1006 CE MET A 64 4.244 16.811 -10.242 1.00 0.00 C ATOM 0 H MET A 64 6.290 14.275 -14.561 1.00 0.00 H new ATOM 0 HA MET A 64 8.116 16.007 -13.241 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.737 14.314 -12.365 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.635 15.313 -11.240 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.066 17.335 -12.435 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.427 16.432 -13.794 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.320 16.893 -9.669 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.832 15.975 -9.864 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.817 17.733 -10.141 1.00 0.00 H new ATOM 1016 N GLY A 65 8.925 12.938 -13.074 1.00 0.00 N ATOM 1017 CA GLY A 65 10.012 12.070 -12.642 1.00 0.00 C ATOM 1018 C GLY A 65 9.545 10.837 -11.872 1.00 0.00 C ATOM 1019 O GLY A 65 10.395 10.095 -11.376 1.00 0.00 O ATOM 0 H GLY A 65 8.420 12.583 -13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.578 11.748 -13.517 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.694 12.643 -12.014 1.00 0.00 H new ATOM 1023 N TYR A 66 8.235 10.603 -11.738 1.00 0.00 N ATOM 1024 CA TYR A 66 7.750 9.322 -11.235 1.00 0.00 C ATOM 1025 C TYR A 66 8.024 8.282 -12.326 1.00 0.00 C ATOM 1026 O TYR A 66 7.874 8.576 -13.513 1.00 0.00 O ATOM 1027 CB TYR A 66 6.252 9.369 -10.904 1.00 0.00 C ATOM 1028 CG TYR A 66 5.844 10.266 -9.746 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.757 11.664 -9.910 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.514 9.692 -8.503 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.377 12.485 -8.832 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.140 10.505 -7.419 1.00 0.00 C ATOM 1033 CZ TYR A 66 5.081 11.909 -7.575 1.00 0.00 C ATOM 1034 OH TYR A 66 4.759 12.710 -6.523 1.00 0.00 O ATOM 0 H TYR A 66 7.504 11.276 -11.968 1.00 0.00 H new ATOM 0 HA TYR A 66 8.263 9.069 -10.307 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.715 9.695 -11.795 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.918 8.355 -10.685 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.983 12.107 -10.869 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.549 8.619 -8.382 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.311 13.555 -8.965 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.898 10.057 -6.467 1.00 0.00 H new ATOM 0 HH TYR A 66 4.599 12.158 -5.729 1.00 0.00 H new ATOM 1044 N THR A 67 8.389 7.061 -11.941 1.00 0.00 N ATOM 1045 CA THR A 67 8.857 6.036 -12.880 1.00 0.00 C ATOM 1046 C THR A 67 8.004 4.757 -12.816 1.00 0.00 C ATOM 1047 O THR A 67 8.337 3.759 -13.458 1.00 0.00 O ATOM 1048 CB THR A 67 10.369 5.804 -12.644 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.709 5.857 -11.268 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.196 6.889 -13.345 1.00 0.00 C ATOM 0 H THR A 67 8.370 6.751 -10.969 1.00 0.00 H new ATOM 0 HA THR A 67 8.730 6.383 -13.905 1.00 0.00 H new ATOM 0 HB THR A 67 10.588 4.814 -13.043 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.688 4.953 -10.891 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.256 6.709 -13.168 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.997 6.862 -14.416 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.923 7.867 -12.949 1.00 0.00 H new ATOM 1058 N HIS A 68 6.895 4.785 -12.064 1.00 0.00 N ATOM 1059 CA HIS A 68 6.086 3.611 -11.729 1.00 0.00 C ATOM 1060 C HIS A 68 4.594 3.968 -11.770 1.00 0.00 C ATOM 1061 O HIS A 68 3.817 3.513 -10.930 1.00 0.00 O ATOM 1062 CB HIS A 68 6.524 3.058 -10.359 1.00 0.00 C ATOM 1063 CG HIS A 68 8.011 2.843 -10.242 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.730 1.748 -10.669 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.914 3.776 -9.812 1.00 0.00 C ATOM 1066 CE1 HIS A 68 10.036 2.023 -10.506 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.202 3.257 -9.994 1.00 0.00 N ATOM 0 H HIS A 68 6.529 5.648 -11.663 1.00 0.00 H new ATOM 0 HA HIS A 68 6.244 2.824 -12.467 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.203 3.748 -9.579 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.013 2.112 -10.178 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.341 0.882 -11.042 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.675 4.746 -9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.841 1.347 -10.752 1.00 0.00 H new ATOM 1075 N VAL A 69 4.201 4.827 -12.714 1.00 0.00 N ATOM 1076 CA VAL A 69 2.818 5.257 -12.902 1.00 0.00 C ATOM 1077 C VAL A 69 2.300 4.538 -14.140 1.00 0.00 C ATOM 1078 O VAL A 69 2.956 4.582 -15.186 1.00 0.00 O ATOM 1079 CB VAL A 69 2.726 6.790 -13.064 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.265 7.264 -13.024 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.528 7.523 -11.981 1.00 0.00 C ATOM 0 H VAL A 69 4.848 5.249 -13.380 1.00 0.00 H new ATOM 0 HA VAL A 69 2.214 5.007 -12.030 1.00 0.00 H new ATOM 0 HB VAL A 69 3.154 7.030 -14.037 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.231 8.347 -13.140 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.708 6.794 -13.834 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.819 6.987 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.439 8.599 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.139 7.258 -10.998 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.577 7.233 -12.046 1.00 0.00 H new ATOM 1091 N GLU A 70 1.126 3.916 -14.051 1.00 0.00 N ATOM 1092 CA GLU A 70 0.496 3.237 -15.173 1.00 0.00 C ATOM 1093 C GLU A 70 -1.008 3.505 -15.135 1.00 0.00 C ATOM 1094 O GLU A 70 -1.598 3.671 -14.063 1.00 0.00 O ATOM 1095 CB GLU A 70 0.836 1.736 -15.103 1.00 0.00 C ATOM 1096 CG GLU A 70 0.284 0.899 -16.269 1.00 0.00 C ATOM 1097 CD GLU A 70 0.769 1.396 -17.644 1.00 0.00 C ATOM 1098 OE1 GLU A 70 0.190 2.374 -18.169 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.721 0.808 -18.206 1.00 0.00 O ATOM 0 H GLU A 70 0.583 3.871 -13.189 1.00 0.00 H new ATOM 0 HA GLU A 70 0.870 3.613 -16.125 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.920 1.623 -15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.448 1.332 -14.168 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.584 -0.141 -16.137 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.805 0.922 -16.243 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.634 3.564 -16.311 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.081 3.661 -16.423 1.00 0.00 C ATOM 1108 C ASN A 71 -3.703 2.279 -16.203 1.00 0.00 C ATOM 1109 O ASN A 71 -3.483 1.371 -17.006 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.485 4.225 -17.793 1.00 0.00 C ATOM 1111 CG ASN A 71 -4.985 4.077 -18.043 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.409 3.645 -19.109 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.821 4.411 -17.071 1.00 0.00 N ATOM 0 H ASN A 71 -1.149 3.546 -17.208 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.451 4.345 -15.660 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.208 5.278 -17.849 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.932 3.708 -18.577 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.827 4.310 -17.206 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.459 4.770 -16.187 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.493 2.127 -15.135 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.220 0.891 -14.858 1.00 0.00 C ATOM 1122 C ALA A 72 -6.387 0.684 -15.836 1.00 0.00 C ATOM 1123 O ALA A 72 -6.658 -0.451 -16.231 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.742 0.918 -13.418 1.00 0.00 C ATOM 0 H ALA A 72 -4.644 2.859 -14.441 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.531 0.057 -14.988 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.285 -0.004 -13.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.903 1.008 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.410 1.769 -13.289 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.078 1.762 -16.221 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.235 1.733 -17.107 1.00 0.00 C ATOM 1132 C GLY A 73 -9.103 2.959 -16.853 1.00 0.00 C ATOM 1133 O GLY A 73 -8.579 4.057 -16.638 1.00 0.00 O ATOM 0 H GLY A 73 -6.837 2.704 -15.913 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.909 1.715 -18.147 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.813 0.824 -16.938 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.419 2.769 -16.831 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.384 3.768 -16.403 1.00 0.00 C ATOM 1139 C GLY A 74 -12.614 3.072 -15.835 1.00 0.00 C ATOM 1140 O GLY A 74 -12.766 1.858 -15.988 1.00 0.00 O ATOM 0 H GLY A 74 -10.852 1.891 -17.119 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.940 4.419 -15.650 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.667 4.401 -17.244 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.500 3.829 -15.188 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.732 3.352 -14.555 1.00 0.00 C ATOM 1146 C LEU A 75 -15.576 2.557 -15.562 1.00 0.00 C ATOM 1147 O LEU A 75 -16.159 1.530 -15.219 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.497 4.578 -13.997 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.459 4.350 -12.810 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -17.609 3.384 -13.092 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -15.701 3.909 -11.553 1.00 0.00 C ATOM 0 H LEU A 75 -13.374 4.836 -15.086 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.503 2.674 -13.732 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.761 5.322 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.071 5.014 -14.814 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.919 5.324 -12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.230 3.288 -12.201 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.212 3.767 -13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.206 2.407 -13.361 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.407 3.757 -10.737 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.174 2.977 -11.755 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.982 4.679 -11.273 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.572 2.993 -16.828 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.233 2.330 -17.951 1.00 0.00 C ATOM 1165 C LYS A 76 -15.814 0.860 -18.132 1.00 0.00 C ATOM 1166 O LYS A 76 -16.579 0.098 -18.723 1.00 0.00 O ATOM 1167 CB LYS A 76 -15.950 3.170 -19.213 1.00 0.00 C ATOM 1168 CG LYS A 76 -16.757 2.745 -20.450 1.00 0.00 C ATOM 1169 CD LYS A 76 -16.517 3.717 -21.617 1.00 0.00 C ATOM 1170 CE LYS A 76 -17.360 3.371 -22.856 1.00 0.00 C ATOM 1171 NZ LYS A 76 -16.955 2.096 -23.503 1.00 0.00 N ATOM 0 H LYS A 76 -15.090 3.848 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.304 2.279 -17.753 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.166 4.216 -18.995 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.887 3.106 -19.447 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.472 1.736 -20.747 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.819 2.718 -20.206 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.751 4.732 -21.294 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.461 3.704 -21.885 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.409 3.307 -22.567 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -17.278 4.181 -23.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -17.560 1.919 -24.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.963 2.161 -23.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.059 1.314 -22.825 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.640 0.441 -17.644 1.00 0.00 N ATOM 1186 CA ASP A 77 -14.051 -0.866 -17.958 1.00 0.00 C ATOM 1187 C ASP A 77 -13.571 -1.649 -16.729 1.00 0.00 C ATOM 1188 O ASP A 77 -13.643 -2.878 -16.741 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.879 -0.659 -18.925 1.00 0.00 C ATOM 1190 CG ASP A 77 -12.202 -1.992 -19.287 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.781 -2.775 -20.074 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -11.069 -2.246 -18.820 1.00 0.00 O ATOM 0 H ASP A 77 -14.068 1.004 -17.015 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.841 -1.468 -18.407 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.237 -0.174 -19.833 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.147 0.011 -18.473 1.00 0.00 H new ATOM 1197 N ILE A 78 -13.099 -0.979 -15.671 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.567 -1.639 -14.476 1.00 0.00 C ATOM 1199 C ILE A 78 -13.706 -2.416 -13.796 1.00 0.00 C ATOM 1200 O ILE A 78 -14.746 -1.840 -13.467 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.885 -0.602 -13.545 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.617 -0.019 -14.216 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.503 -1.240 -12.195 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.099 1.260 -13.545 1.00 0.00 C ATOM 0 H ILE A 78 -13.076 0.040 -15.621 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.790 -2.356 -14.741 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.599 0.202 -13.366 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.829 -0.772 -14.200 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.835 0.193 -15.263 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.027 -0.492 -11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.400 -1.615 -11.703 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.811 -2.065 -12.365 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.210 1.611 -14.068 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.870 2.029 -13.584 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.849 1.050 -12.505 1.00 0.00 H new ATOM 1216 N ALA A 79 -13.499 -3.715 -13.554 1.00 0.00 N ATOM 1217 CA ALA A 79 -14.513 -4.619 -13.005 1.00 0.00 C ATOM 1218 C ALA A 79 -14.488 -4.700 -11.467 1.00 0.00 C ATOM 1219 O ALA A 79 -15.331 -5.382 -10.881 1.00 0.00 O ATOM 1220 CB ALA A 79 -14.312 -6.012 -13.618 1.00 0.00 C ATOM 0 H ALA A 79 -12.607 -4.174 -13.738 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.492 -4.219 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -15.060 -6.697 -13.219 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -14.417 -5.951 -14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -13.316 -6.378 -13.370 1.00 0.00 H new ATOM 1226 N MET A 80 -13.525 -4.043 -10.808 1.00 0.00 N ATOM 1227 CA MET A 80 -13.380 -4.051 -9.348 1.00 0.00 C ATOM 1228 C MET A 80 -14.616 -3.432 -8.665 1.00 0.00 C ATOM 1229 O MET A 80 -15.283 -2.602 -9.292 1.00 0.00 O ATOM 1230 CB MET A 80 -12.112 -3.280 -8.949 1.00 0.00 C ATOM 1231 CG MET A 80 -10.827 -3.990 -9.396 1.00 0.00 C ATOM 1232 SD MET A 80 -9.309 -3.012 -9.213 1.00 0.00 S ATOM 1233 CE MET A 80 -9.201 -2.848 -7.409 1.00 0.00 C ATOM 0 H MET A 80 -12.815 -3.484 -11.281 1.00 0.00 H new ATOM 0 HA MET A 80 -13.294 -5.085 -9.015 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.144 -2.283 -9.388 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.094 -3.151 -7.867 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.720 -4.911 -8.822 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.933 -4.277 -10.442 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.305 -2.284 -7.148 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.081 -2.323 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.151 -3.838 -6.956 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.927 -3.791 -7.403 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.032 -3.209 -6.640 1.00 0.00 C ATOM 1245 C PRO A 81 -15.986 -1.678 -6.562 1.00 0.00 C ATOM 1246 O PRO A 81 -14.909 -1.070 -6.585 1.00 0.00 O ATOM 1247 CB PRO A 81 -15.944 -3.828 -5.242 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.237 -5.158 -5.478 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.275 -4.833 -6.617 1.00 0.00 C ATOM 0 HA PRO A 81 -16.977 -3.429 -7.136 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.382 -3.192 -4.557 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.932 -3.972 -4.805 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.709 -5.499 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.938 -5.946 -5.753 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.315 -4.489 -6.232 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.077 -5.715 -7.225 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.156 -1.051 -6.402 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.311 0.402 -6.431 1.00 0.00 C ATOM 1259 C LYS A 82 -18.053 0.896 -5.190 1.00 0.00 C ATOM 1260 O LYS A 82 -18.850 0.151 -4.618 1.00 0.00 O ATOM 1261 CB LYS A 82 -18.119 0.850 -7.665 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.745 0.277 -9.040 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.324 0.630 -9.499 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.107 0.325 -10.992 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.397 -1.084 -11.350 1.00 0.00 N ATOM 0 H LYS A 82 -18.033 -1.548 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.307 0.825 -6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -19.166 0.609 -7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -18.049 1.936 -7.729 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.847 -0.808 -9.010 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.456 0.643 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.136 1.688 -9.314 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.602 0.069 -8.906 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.742 0.982 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.075 0.555 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.860 -1.343 -12.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.121 -1.706 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.414 -1.193 -11.536 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.858 2.169 -4.841 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.632 2.907 -3.839 1.00 0.00 C ATOM 1281 C VAL A 83 -18.760 4.364 -4.315 1.00 0.00 C ATOM 1282 O VAL A 83 -18.021 4.798 -5.206 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.996 2.803 -2.429 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.019 1.377 -1.861 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.557 3.334 -2.383 1.00 0.00 C ATOM 0 H VAL A 83 -17.126 2.738 -5.266 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.626 2.469 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.625 3.436 -1.803 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.560 1.372 -0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.050 1.033 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.463 0.713 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.165 3.235 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.935 2.761 -3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.547 4.384 -2.675 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.672 5.139 -3.724 1.00 0.00 N ATOM 1296 CA LYS A 84 -19.967 6.522 -4.113 1.00 0.00 C ATOM 1297 C LYS A 84 -20.134 7.395 -2.869 1.00 0.00 C ATOM 1298 O LYS A 84 -20.242 6.870 -1.756 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.220 6.563 -5.009 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.506 6.034 -4.354 1.00 0.00 C ATOM 1301 CD LYS A 84 -23.697 6.174 -5.312 1.00 0.00 C ATOM 1302 CE LYS A 84 -24.972 5.633 -4.652 1.00 0.00 C ATOM 1303 NZ LYS A 84 -26.156 5.745 -5.540 1.00 0.00 N ATOM 0 H LYS A 84 -20.241 4.815 -2.942 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.132 6.922 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -21.388 7.592 -5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.023 5.981 -5.910 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.376 4.988 -4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -22.705 6.584 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -23.835 7.221 -5.583 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -23.497 5.630 -6.235 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -24.822 4.588 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -25.160 6.180 -3.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.993 5.367 -5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -26.317 6.744 -5.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.989 5.202 -6.411 1.00 0.00 H new ATOM 1317 N GLY A 85 -20.173 8.717 -3.046 1.00 0.00 N ATOM 1318 CA GLY A 85 -20.333 9.661 -1.951 1.00 0.00 C ATOM 1319 C GLY A 85 -20.427 11.069 -2.508 1.00 0.00 C ATOM 1320 O GLY A 85 -19.438 11.817 -2.382 1.00 0.00 O ATOM 1321 OXT GLY A 85 -21.485 11.411 -3.072 1.00 0.00 O ATOM 0 H GLY A 85 -20.093 9.160 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -21.231 9.423 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -19.489 9.585 -1.265 1.00 0.00 H new TER 1325 GLY A 85