USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1075 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 126 HIS : no HD1:sc= -1.62 K(o=-4.4,f=-6.2) USER MOD Set 1.2: A 130 ASN : amide:sc= -2.75 K(o=-4.4,f=-10!) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.0647 USER MOD Set 2.2: A 81 THR OG1 : rot -67:sc= 0.0636 USER MOD Set 3.1: A 27 SER OG : rot 46:sc= -1.12! USER MOD Set 3.2: A 37 ASN : amide:sc= -0.154 K(o=-1.3,f=-12!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0.0936 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 145:sc= 0.704 (180deg=0.362) USER MOD Single : A 14 ASN : amide:sc= -0.35 K(o=-0.35,f=-6.1!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.85 USER MOD Single : A 26 THR OG1 : rot -106:sc= 1.1 USER MOD Single : A 35 MET CE :methyl 144:sc= -4.97! (180deg=-6.76!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0.146 K(o=0.15,f=-7.4!) USER MOD Single : A 46 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -77:sc= 1.55 USER MOD Single : A 56 SER OG : rot -168:sc= 0.393 USER MOD Single : A 58 CYS SG : rot -11:sc= -2.29 USER MOD Single : A 59 GLN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.543 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot -82:sc= 1.33 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.00429 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.096) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.3!) USER MOD Single : A 91 THR OG1 : rot 99:sc= 0.505 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 97 HIS : no HE2:sc= -0.0313 K(o=-0.031,f=-0.63) USER MOD Single : A 98 SER OG : rot 180:sc=-0.00838 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.43 X(o=-0.43,f=0) USER MOD Single : A 105 THR OG1 : rot 150:sc= 0.00687 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= -0.0903 USER MOD Single : A 118 HIS : no HD1:sc= -0.194 X(o=-0.19,f=-0.21) USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.042 22.003 -17.462 1.00 0.00 N ATOM 2 CA MET A 1 -9.372 20.935 -16.534 1.00 0.00 C ATOM 3 C MET A 1 -8.152 20.054 -16.257 1.00 0.00 C ATOM 4 O MET A 1 -7.089 20.257 -16.842 1.00 0.00 O ATOM 5 CB MET A 1 -10.498 20.080 -17.118 1.00 0.00 C ATOM 6 CG MET A 1 -11.418 19.556 -16.013 1.00 0.00 C ATOM 7 SD MET A 1 -13.086 20.131 -16.284 1.00 0.00 S ATOM 8 CE MET A 1 -13.613 20.359 -14.593 1.00 0.00 C ATOM 0 H1 MET A 1 -9.412 22.905 -17.099 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.009 22.068 -17.563 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.469 21.802 -18.389 1.00 0.00 H new ATOM 0 HA MET A 1 -9.695 21.382 -15.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.077 20.670 -17.828 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.074 19.242 -17.671 1.00 0.00 H new ATOM 0 HG2 MET A 1 -11.398 18.466 -15.998 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.061 19.895 -15.040 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.642 20.718 -14.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.553 19.409 -14.062 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.967 21.089 -14.106 1.00 0.00 H new ATOM 18 N THR A 2 -8.346 19.093 -15.366 1.00 0.00 N ATOM 19 CA THR A 2 -7.276 18.180 -15.004 1.00 0.00 C ATOM 20 C THR A 2 -7.821 16.761 -14.831 1.00 0.00 C ATOM 21 O THR A 2 -9.003 16.577 -14.547 1.00 0.00 O ATOM 22 CB THR A 2 -6.592 18.726 -13.749 1.00 0.00 C ATOM 23 OG1 THR A 2 -7.654 18.869 -12.810 1.00 0.00 O ATOM 24 CG2 THR A 2 -6.069 20.151 -13.940 1.00 0.00 C ATOM 0 H THR A 2 -9.229 18.927 -14.884 1.00 0.00 H new ATOM 0 HA THR A 2 -6.529 18.113 -15.795 1.00 0.00 H new ATOM 0 HB THR A 2 -5.766 18.071 -13.471 1.00 0.00 H new ATOM 0 HG1 THR A 2 -7.299 19.217 -11.965 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.593 20.490 -13.020 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.342 20.166 -14.752 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.899 20.814 -14.185 1.00 0.00 H new ATOM 32 N ARG A 3 -6.933 15.794 -15.010 1.00 0.00 N ATOM 33 CA ARG A 3 -7.310 14.397 -14.876 1.00 0.00 C ATOM 34 C ARG A 3 -6.910 13.869 -13.498 1.00 0.00 C ATOM 35 O ARG A 3 -6.402 14.618 -12.665 1.00 0.00 O ATOM 36 CB ARG A 3 -6.644 13.542 -15.956 1.00 0.00 C ATOM 37 CG ARG A 3 -5.122 13.698 -15.918 1.00 0.00 C ATOM 38 CD ARG A 3 -4.638 14.621 -17.038 1.00 0.00 C ATOM 39 NE ARG A 3 -4.152 13.818 -18.182 1.00 0.00 N ATOM 40 CZ ARG A 3 -3.871 14.324 -19.390 1.00 0.00 C ATOM 41 NH1 ARG A 3 -4.027 15.634 -19.620 1.00 0.00 N ATOM 42 NH2 ARG A 3 -3.435 13.519 -20.369 1.00 0.00 N ATOM 0 H ARG A 3 -5.953 15.950 -15.247 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.392 14.332 -14.993 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.910 12.495 -15.811 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.019 13.833 -16.937 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.818 14.102 -14.952 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.650 12.721 -16.018 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.450 15.273 -17.360 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.839 15.265 -16.670 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.023 12.816 -18.042 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.360 16.246 -18.875 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.813 16.019 -20.540 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.317 12.521 -20.194 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.221 13.904 -21.289 1.00 0.00 H new ATOM 56 N LEU A 4 -7.154 12.581 -13.299 1.00 0.00 N ATOM 57 CA LEU A 4 -6.825 11.944 -12.035 1.00 0.00 C ATOM 58 C LEU A 4 -5.320 11.672 -11.982 1.00 0.00 C ATOM 59 O LEU A 4 -4.802 10.872 -12.759 1.00 0.00 O ATOM 60 CB LEU A 4 -7.683 10.694 -11.827 1.00 0.00 C ATOM 61 CG LEU A 4 -9.198 10.901 -11.897 1.00 0.00 C ATOM 62 CD1 LEU A 4 -9.933 9.560 -11.921 1.00 0.00 C ATOM 63 CD2 LEU A 4 -9.681 11.800 -10.757 1.00 0.00 C ATOM 0 H LEU A 4 -7.575 11.962 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.059 12.607 -11.202 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.402 9.956 -12.578 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.439 10.268 -10.854 1.00 0.00 H new ATOM 0 HG LEU A 4 -9.431 11.412 -12.831 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.008 9.735 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -9.618 8.988 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.698 9.000 -11.016 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.761 11.931 -10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.435 11.339 -9.801 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.192 12.772 -10.828 1.00 0.00 H new ATOM 75 N PRO A 5 -4.644 12.372 -11.033 1.00 0.00 N ATOM 76 CA PRO A 5 -3.209 12.215 -10.867 1.00 0.00 C ATOM 77 C PRO A 5 -2.878 10.891 -10.176 1.00 0.00 C ATOM 78 O PRO A 5 -3.755 10.255 -9.594 1.00 0.00 O ATOM 79 CB PRO A 5 -2.769 13.429 -10.066 1.00 0.00 C ATOM 80 CG PRO A 5 -4.029 13.978 -9.416 1.00 0.00 C ATOM 81 CD PRO A 5 -5.224 13.329 -10.095 1.00 0.00 C ATOM 0 HA PRO A 5 -2.679 12.169 -11.818 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.030 13.154 -9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.305 14.175 -10.711 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.033 13.762 -8.348 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.072 15.062 -9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.869 12.832 -9.371 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -5.836 14.069 -10.612 1.00 0.00 H new ATOM 89 N ASP A 6 -1.611 10.515 -10.263 1.00 0.00 N ATOM 90 CA ASP A 6 -1.154 9.278 -9.653 1.00 0.00 C ATOM 91 C ASP A 6 -1.330 9.367 -8.136 1.00 0.00 C ATOM 92 O ASP A 6 -0.800 10.275 -7.497 1.00 0.00 O ATOM 93 CB ASP A 6 0.329 9.036 -9.943 1.00 0.00 C ATOM 94 CG ASP A 6 1.208 10.287 -9.903 1.00 0.00 C ATOM 95 OD1 ASP A 6 1.668 10.622 -8.790 1.00 0.00 O ATOM 96 OD2 ASP A 6 1.401 10.880 -10.986 1.00 0.00 O ATOM 0 H ASP A 6 -0.886 11.045 -10.747 1.00 0.00 H new ATOM 0 HA ASP A 6 -1.742 8.460 -10.069 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.713 8.317 -9.219 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.421 8.577 -10.927 1.00 0.00 H new ATOM 101 N ILE A 7 -2.077 8.411 -7.602 1.00 0.00 N ATOM 102 CA ILE A 7 -2.331 8.370 -6.172 1.00 0.00 C ATOM 103 C ILE A 7 -1.007 8.175 -5.429 1.00 0.00 C ATOM 104 O ILE A 7 -0.594 7.044 -5.177 1.00 0.00 O ATOM 105 CB ILE A 7 -3.382 7.308 -5.844 1.00 0.00 C ATOM 106 CG1 ILE A 7 -4.780 7.774 -6.258 1.00 0.00 C ATOM 107 CG2 ILE A 7 -3.323 6.916 -4.366 1.00 0.00 C ATOM 108 CD1 ILE A 7 -5.838 6.738 -5.877 1.00 0.00 C ATOM 0 H ILE A 7 -2.514 7.659 -8.134 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.752 9.317 -5.833 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.156 6.413 -6.424 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.007 8.725 -5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.806 7.947 -7.334 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.080 6.160 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.336 6.514 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.510 7.795 -3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.822 7.094 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.621 5.795 -6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.826 6.586 -4.798 1.00 0.00 H new ATOM 120 N LYS A 8 -0.379 9.294 -5.100 1.00 0.00 N ATOM 121 CA LYS A 8 0.889 9.260 -4.392 1.00 0.00 C ATOM 122 C LYS A 8 0.705 9.861 -2.997 1.00 0.00 C ATOM 123 O LYS A 8 0.240 10.992 -2.860 1.00 0.00 O ATOM 124 CB LYS A 8 1.982 9.944 -5.216 1.00 0.00 C ATOM 125 CG LYS A 8 3.091 10.487 -4.313 1.00 0.00 C ATOM 126 CD LYS A 8 4.173 11.189 -5.136 1.00 0.00 C ATOM 127 CE LYS A 8 5.487 11.273 -4.356 1.00 0.00 C ATOM 128 NZ LYS A 8 6.619 11.531 -5.274 1.00 0.00 N ATOM 0 H LYS A 8 -0.725 10.230 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 8 1.221 8.231 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.403 9.234 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.549 10.759 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.668 11.185 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.535 9.670 -3.744 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.334 10.648 -6.069 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.839 12.192 -5.402 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.425 12.068 -3.613 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.655 10.342 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.503 11.585 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.687 10.759 -5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.464 12.431 -5.772 1.00 0.00 H new ATOM 142 N LYS A 9 1.079 9.077 -1.996 1.00 0.00 N ATOM 143 CA LYS A 9 0.961 9.518 -0.616 1.00 0.00 C ATOM 144 C LYS A 9 2.278 9.250 0.114 1.00 0.00 C ATOM 145 O LYS A 9 3.129 8.513 -0.382 1.00 0.00 O ATOM 146 CB LYS A 9 -0.255 8.871 0.051 1.00 0.00 C ATOM 147 CG LYS A 9 -1.513 9.714 -0.166 1.00 0.00 C ATOM 148 CD LYS A 9 -2.115 9.455 -1.549 1.00 0.00 C ATOM 149 CE LYS A 9 -3.605 9.123 -1.444 1.00 0.00 C ATOM 150 NZ LYS A 9 -3.799 7.812 -0.786 1.00 0.00 N ATOM 0 H LYS A 9 1.464 8.140 -2.113 1.00 0.00 H new ATOM 0 HA LYS A 9 0.785 10.593 -0.573 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.408 7.871 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.070 8.756 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.248 9.481 0.604 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.269 10.771 -0.064 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.978 10.333 -2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.588 8.631 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.118 9.900 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.051 9.107 -2.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.661 7.839 -0.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.892 7.071 -1.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.980 7.603 -0.180 1.00 0.00 H new ATOM 164 N GLU A 10 2.405 9.863 1.282 1.00 0.00 N ATOM 165 CA GLU A 10 3.604 9.700 2.086 1.00 0.00 C ATOM 166 C GLU A 10 3.277 9.878 3.570 1.00 0.00 C ATOM 167 O GLU A 10 2.493 10.753 3.936 1.00 0.00 O ATOM 168 CB GLU A 10 4.697 10.676 1.645 1.00 0.00 C ATOM 169 CG GLU A 10 5.990 10.442 2.428 1.00 0.00 C ATOM 170 CD GLU A 10 6.050 11.336 3.668 1.00 0.00 C ATOM 171 OE1 GLU A 10 5.989 12.571 3.481 1.00 0.00 O ATOM 172 OE2 GLU A 10 6.154 10.766 4.775 1.00 0.00 O ATOM 0 H GLU A 10 1.697 10.473 1.691 1.00 0.00 H new ATOM 0 HA GLU A 10 3.983 8.689 1.936 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.887 10.557 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.357 11.701 1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.054 9.396 2.726 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.849 10.644 1.788 1.00 0.00 H new ATOM 179 N VAL A 11 3.893 9.035 4.385 1.00 0.00 N ATOM 180 CA VAL A 11 3.677 9.088 5.821 1.00 0.00 C ATOM 181 C VAL A 11 5.010 8.875 6.541 1.00 0.00 C ATOM 182 O VAL A 11 5.921 8.253 5.998 1.00 0.00 O ATOM 183 CB VAL A 11 2.609 8.070 6.227 1.00 0.00 C ATOM 184 CG1 VAL A 11 1.205 8.662 6.082 1.00 0.00 C ATOM 185 CG2 VAL A 11 2.747 6.779 5.419 1.00 0.00 C ATOM 0 H VAL A 11 4.542 8.311 4.078 1.00 0.00 H new ATOM 0 HA VAL A 11 3.302 10.068 6.115 1.00 0.00 H new ATOM 0 HB VAL A 11 2.762 7.824 7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.464 7.919 6.377 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.112 9.540 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.037 8.950 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.976 6.073 5.727 1.00 0.00 H new ATOM 0 HG22 VAL A 11 2.633 7.000 4.358 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.730 6.343 5.595 1.00 0.00 H new ATOM 195 N ARG A 12 5.082 9.405 7.753 1.00 0.00 N ATOM 196 CA ARG A 12 6.289 9.281 8.554 1.00 0.00 C ATOM 197 C ARG A 12 5.959 8.680 9.921 1.00 0.00 C ATOM 198 O ARG A 12 5.216 9.274 10.702 1.00 0.00 O ATOM 199 CB ARG A 12 6.961 10.642 8.751 1.00 0.00 C ATOM 200 CG ARG A 12 8.237 10.507 9.583 1.00 0.00 C ATOM 201 CD ARG A 12 8.302 11.585 10.667 1.00 0.00 C ATOM 202 NE ARG A 12 8.926 11.036 11.891 1.00 0.00 N ATOM 203 CZ ARG A 12 8.861 11.620 13.095 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.198 12.776 13.244 1.00 0.00 N ATOM 205 NH2 ARG A 12 9.458 11.050 14.150 1.00 0.00 N ATOM 0 H ARG A 12 4.324 9.921 8.200 1.00 0.00 H new ATOM 0 HA ARG A 12 6.975 8.623 8.021 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.199 11.078 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.270 11.325 9.246 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.272 9.520 10.044 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.109 10.586 8.934 1.00 0.00 H new ATOM 0 HD2 ARG A 12 8.876 12.439 10.308 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.299 11.947 10.892 1.00 0.00 H new ATOM 0 HE ARG A 12 9.438 10.157 11.813 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.743 13.210 12.441 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.148 13.221 14.160 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.963 10.171 14.037 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.408 11.495 15.066 1.00 0.00 H new ATOM 219 N PHE A 13 6.528 7.510 10.170 1.00 0.00 N ATOM 220 CA PHE A 13 6.303 6.822 11.430 1.00 0.00 C ATOM 221 C PHE A 13 7.603 6.702 12.229 1.00 0.00 C ATOM 222 O PHE A 13 8.687 6.640 11.651 1.00 0.00 O ATOM 223 CB PHE A 13 5.797 5.418 11.090 1.00 0.00 C ATOM 224 CG PHE A 13 4.531 5.405 10.231 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.518 6.271 10.500 1.00 0.00 C ATOM 226 CD2 PHE A 13 4.420 4.527 9.198 1.00 0.00 C ATOM 227 CE1 PHE A 13 2.343 6.258 9.703 1.00 0.00 C ATOM 228 CE2 PHE A 13 3.245 4.514 8.401 1.00 0.00 C ATOM 229 CZ PHE A 13 2.231 5.380 8.670 1.00 0.00 C ATOM 0 H PHE A 13 7.144 7.021 9.521 1.00 0.00 H new ATOM 0 HA PHE A 13 5.586 7.378 12.034 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.585 4.876 10.567 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.601 4.879 12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.607 6.969 11.320 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.225 3.840 8.984 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.538 6.945 9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.156 3.817 7.581 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.337 5.370 8.064 1.00 0.00 H new ATOM 239 N ASN A 14 7.451 6.675 13.545 1.00 0.00 N ATOM 240 CA ASN A 14 8.599 6.565 14.429 1.00 0.00 C ATOM 241 C ASN A 14 8.855 5.089 14.743 1.00 0.00 C ATOM 242 O ASN A 14 8.161 4.497 15.568 1.00 0.00 O ATOM 243 CB ASN A 14 8.348 7.293 15.751 1.00 0.00 C ATOM 244 CG ASN A 14 9.372 8.410 15.964 1.00 0.00 C ATOM 245 OD1 ASN A 14 10.312 8.579 15.205 1.00 0.00 O ATOM 246 ND2 ASN A 14 9.137 9.162 17.035 1.00 0.00 N ATOM 0 H ASN A 14 6.550 6.727 14.020 1.00 0.00 H new ATOM 0 HA ASN A 14 9.456 7.015 13.927 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.342 7.712 15.755 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.401 6.584 16.577 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.762 9.935 17.263 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.331 8.966 17.629 1.00 0.00 H new ATOM 253 N ALA A 15 9.854 4.538 14.069 1.00 0.00 N ATOM 254 CA ALA A 15 10.210 3.144 14.266 1.00 0.00 C ATOM 255 C ALA A 15 11.411 2.799 13.382 1.00 0.00 C ATOM 256 O ALA A 15 11.784 3.576 12.505 1.00 0.00 O ATOM 257 CB ALA A 15 8.997 2.260 13.971 1.00 0.00 C ATOM 0 H ALA A 15 10.428 5.032 13.386 1.00 0.00 H new ATOM 0 HA ALA A 15 10.500 2.965 15.301 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.265 1.214 14.119 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.182 2.525 14.644 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.679 2.411 12.939 1.00 0.00 H new ATOM 263 N PRO A 16 11.998 1.602 13.652 1.00 0.00 N ATOM 264 CA PRO A 16 13.149 1.145 12.892 1.00 0.00 C ATOM 265 C PRO A 16 12.732 0.666 11.499 1.00 0.00 C ATOM 266 O PRO A 16 11.796 -0.121 11.364 1.00 0.00 O ATOM 267 CB PRO A 16 13.767 0.044 13.738 1.00 0.00 C ATOM 268 CG PRO A 16 12.683 -0.393 14.710 1.00 0.00 C ATOM 269 CD PRO A 16 11.583 0.656 14.683 1.00 0.00 C ATOM 0 HA PRO A 16 13.872 1.939 12.705 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.093 -0.790 13.116 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.646 0.407 14.271 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.287 -1.369 14.427 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.090 -0.494 15.716 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.617 0.211 14.446 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.479 1.146 15.651 1.00 0.00 H new ATOM 277 N ILE A 17 13.446 1.162 10.500 1.00 0.00 N ATOM 278 CA ILE A 17 13.162 0.795 9.123 1.00 0.00 C ATOM 279 C ILE A 17 13.200 -0.729 8.988 1.00 0.00 C ATOM 280 O ILE A 17 12.547 -1.294 8.112 1.00 0.00 O ATOM 281 CB ILE A 17 14.111 1.521 8.168 1.00 0.00 C ATOM 282 CG1 ILE A 17 13.728 1.260 6.710 1.00 0.00 C ATOM 283 CG2 ILE A 17 15.567 1.147 8.453 1.00 0.00 C ATOM 284 CD1 ILE A 17 14.305 2.337 5.790 1.00 0.00 C ATOM 0 H ILE A 17 14.221 1.815 10.616 1.00 0.00 H new ATOM 0 HA ILE A 17 12.159 1.116 8.842 1.00 0.00 H new ATOM 0 HB ILE A 17 14.014 2.593 8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 17 14.095 0.280 6.404 1.00 0.00 H new ATOM 0 HG13 ILE A 17 12.642 1.238 6.614 1.00 0.00 H new ATOM 0 HG21 ILE A 17 16.221 1.677 7.760 1.00 0.00 H new ATOM 0 HG22 ILE A 17 15.821 1.425 9.476 1.00 0.00 H new ATOM 0 HG23 ILE A 17 15.698 0.072 8.326 1.00 0.00 H new ATOM 0 HD11 ILE A 17 14.018 2.127 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 17 13.917 3.312 6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 17 15.392 2.340 5.870 1.00 0.00 H new ATOM 296 N GLU A 18 13.971 -1.350 9.868 1.00 0.00 N ATOM 297 CA GLU A 18 14.102 -2.797 9.858 1.00 0.00 C ATOM 298 C GLU A 18 12.764 -3.454 10.202 1.00 0.00 C ATOM 299 O GLU A 18 12.493 -4.577 9.779 1.00 0.00 O ATOM 300 CB GLU A 18 15.201 -3.254 10.819 1.00 0.00 C ATOM 301 CG GLU A 18 16.166 -4.221 10.129 1.00 0.00 C ATOM 302 CD GLU A 18 15.631 -5.654 10.174 1.00 0.00 C ATOM 303 OE1 GLU A 18 15.675 -6.242 11.276 1.00 0.00 O ATOM 304 OE2 GLU A 18 15.190 -6.129 9.105 1.00 0.00 O ATOM 0 H GLU A 18 14.511 -0.878 10.593 1.00 0.00 H new ATOM 0 HA GLU A 18 14.390 -3.109 8.854 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.750 -2.388 11.187 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.752 -3.739 11.686 1.00 0.00 H new ATOM 0 HG2 GLU A 18 16.313 -3.916 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.140 -4.177 10.616 1.00 0.00 H new ATOM 311 N LYS A 19 11.964 -2.727 10.967 1.00 0.00 N ATOM 312 CA LYS A 19 10.661 -3.225 11.374 1.00 0.00 C ATOM 313 C LYS A 19 9.647 -2.957 10.259 1.00 0.00 C ATOM 314 O LYS A 19 9.008 -3.883 9.761 1.00 0.00 O ATOM 315 CB LYS A 19 10.259 -2.633 12.726 1.00 0.00 C ATOM 316 CG LYS A 19 9.128 -3.443 13.364 1.00 0.00 C ATOM 317 CD LYS A 19 8.803 -2.921 14.765 1.00 0.00 C ATOM 318 CE LYS A 19 7.654 -3.712 15.392 1.00 0.00 C ATOM 319 NZ LYS A 19 8.177 -4.842 16.191 1.00 0.00 N ATOM 0 H LYS A 19 12.193 -1.796 11.316 1.00 0.00 H new ATOM 0 HA LYS A 19 10.695 -4.304 11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.122 -2.619 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.941 -1.599 12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.238 -3.389 12.736 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.415 -4.493 13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.687 -2.994 15.398 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.536 -1.866 14.711 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.057 -3.056 16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.994 -4.087 14.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.383 -5.368 16.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.727 -5.476 15.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.789 -4.477 16.949 1.00 0.00 H new ATOM 333 N VAL A 20 9.532 -1.687 9.900 1.00 0.00 N ATOM 334 CA VAL A 20 8.607 -1.286 8.854 1.00 0.00 C ATOM 335 C VAL A 20 8.944 -2.039 7.565 1.00 0.00 C ATOM 336 O VAL A 20 8.050 -2.409 6.807 1.00 0.00 O ATOM 337 CB VAL A 20 8.637 0.234 8.684 1.00 0.00 C ATOM 338 CG1 VAL A 20 7.769 0.671 7.502 1.00 0.00 C ATOM 339 CG2 VAL A 20 8.204 0.939 9.971 1.00 0.00 C ATOM 0 H VAL A 20 10.064 -0.922 10.315 1.00 0.00 H new ATOM 0 HA VAL A 20 7.585 -1.549 9.126 1.00 0.00 H new ATOM 0 HB VAL A 20 9.665 0.526 8.471 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.808 1.756 7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.141 0.210 6.587 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.739 0.359 7.672 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.234 2.018 9.822 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.189 0.636 10.228 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.880 0.665 10.781 1.00 0.00 H new ATOM 349 N TRP A 21 10.237 -2.242 7.357 1.00 0.00 N ATOM 350 CA TRP A 21 10.703 -2.943 6.173 1.00 0.00 C ATOM 351 C TRP A 21 10.136 -4.364 6.212 1.00 0.00 C ATOM 352 O TRP A 21 9.594 -4.847 5.219 1.00 0.00 O ATOM 353 CB TRP A 21 12.230 -2.911 6.083 1.00 0.00 C ATOM 354 CG TRP A 21 12.806 -3.790 4.971 1.00 0.00 C ATOM 355 CD1 TRP A 21 13.759 -4.727 5.070 1.00 0.00 C ATOM 356 CD2 TRP A 21 12.424 -3.776 3.579 1.00 0.00 C ATOM 357 NE1 TRP A 21 14.019 -5.315 3.849 1.00 0.00 N ATOM 358 CE2 TRP A 21 13.181 -4.719 2.913 1.00 0.00 C ATOM 359 CE3 TRP A 21 11.471 -2.993 2.905 1.00 0.00 C ATOM 360 CZ2 TRP A 21 13.063 -4.966 1.540 1.00 0.00 C ATOM 361 CZ3 TRP A 21 11.365 -3.253 1.533 1.00 0.00 C ATOM 362 CH2 TRP A 21 12.119 -4.198 0.848 1.00 0.00 C ATOM 0 H TRP A 21 10.976 -1.933 7.989 1.00 0.00 H new ATOM 0 HA TRP A 21 10.348 -2.451 5.268 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.553 -1.882 5.923 1.00 0.00 H new ATOM 0 HB3 TRP A 21 12.647 -3.231 7.038 1.00 0.00 H new ATOM 0 HD1 TRP A 21 14.261 -4.989 5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 21 14.701 -6.052 3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.868 -2.250 3.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.668 -5.709 1.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.646 -2.678 0.967 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.977 -4.339 -0.213 1.00 0.00 H new ATOM 373 N GLU A 22 10.281 -4.993 7.369 1.00 0.00 N ATOM 374 CA GLU A 22 9.790 -6.349 7.549 1.00 0.00 C ATOM 375 C GLU A 22 8.260 -6.363 7.555 1.00 0.00 C ATOM 376 O GLU A 22 7.644 -7.379 7.236 1.00 0.00 O ATOM 377 CB GLU A 22 10.348 -6.968 8.832 1.00 0.00 C ATOM 378 CG GLU A 22 11.185 -8.211 8.522 1.00 0.00 C ATOM 379 CD GLU A 22 11.198 -9.173 9.712 1.00 0.00 C ATOM 380 OE1 GLU A 22 10.124 -9.322 10.333 1.00 0.00 O ATOM 381 OE2 GLU A 22 12.282 -9.739 9.972 1.00 0.00 O ATOM 0 H GLU A 22 10.731 -4.589 8.191 1.00 0.00 H new ATOM 0 HA GLU A 22 10.137 -6.954 6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.960 -6.235 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.527 -7.235 9.498 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.781 -8.717 7.645 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.205 -7.915 8.277 1.00 0.00 H new ATOM 388 N ALA A 23 7.691 -5.224 7.921 1.00 0.00 N ATOM 389 CA ALA A 23 6.244 -5.093 7.972 1.00 0.00 C ATOM 390 C ALA A 23 5.698 -4.963 6.549 1.00 0.00 C ATOM 391 O ALA A 23 4.505 -5.157 6.317 1.00 0.00 O ATOM 392 CB ALA A 23 5.871 -3.898 8.851 1.00 0.00 C ATOM 0 H ALA A 23 8.205 -4.384 8.185 1.00 0.00 H new ATOM 0 HA ALA A 23 5.793 -5.979 8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.786 -3.799 8.890 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.257 -4.053 9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.303 -2.989 8.432 1.00 0.00 H new ATOM 398 N VAL A 24 6.596 -4.635 5.631 1.00 0.00 N ATOM 399 CA VAL A 24 6.219 -4.476 4.237 1.00 0.00 C ATOM 400 C VAL A 24 6.923 -5.545 3.398 1.00 0.00 C ATOM 401 O VAL A 24 6.947 -5.460 2.172 1.00 0.00 O ATOM 402 CB VAL A 24 6.526 -3.052 3.771 1.00 0.00 C ATOM 403 CG1 VAL A 24 5.900 -2.020 4.711 1.00 0.00 C ATOM 404 CG2 VAL A 24 8.034 -2.831 3.639 1.00 0.00 C ATOM 0 H VAL A 24 7.584 -4.475 5.826 1.00 0.00 H new ATOM 0 HA VAL A 24 5.146 -4.620 4.113 1.00 0.00 H new ATOM 0 HB VAL A 24 6.081 -2.919 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.134 -1.016 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.819 -2.155 4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.301 -2.153 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.224 -1.811 3.306 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.511 -2.993 4.605 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.442 -3.532 2.911 1.00 0.00 H new ATOM 414 N SER A 25 7.478 -6.527 4.094 1.00 0.00 N ATOM 415 CA SER A 25 8.180 -7.611 3.428 1.00 0.00 C ATOM 416 C SER A 25 7.476 -8.940 3.707 1.00 0.00 C ATOM 417 O SER A 25 7.408 -9.805 2.835 1.00 0.00 O ATOM 418 CB SER A 25 9.641 -7.679 3.879 1.00 0.00 C ATOM 419 OG SER A 25 9.799 -8.463 5.059 1.00 0.00 O ATOM 0 H SER A 25 7.456 -6.594 5.112 1.00 0.00 H new ATOM 0 HA SER A 25 8.167 -7.419 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.248 -8.102 3.079 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.012 -6.670 4.061 1.00 0.00 H new ATOM 0 HG SER A 25 10.745 -8.483 5.314 1.00 0.00 H new ATOM 425 N THR A 26 6.969 -9.060 4.925 1.00 0.00 N ATOM 426 CA THR A 26 6.272 -10.269 5.329 1.00 0.00 C ATOM 427 C THR A 26 4.796 -10.191 4.934 1.00 0.00 C ATOM 428 O THR A 26 4.301 -9.124 4.575 1.00 0.00 O ATOM 429 CB THR A 26 6.490 -10.461 6.831 1.00 0.00 C ATOM 430 OG1 THR A 26 6.073 -9.224 7.403 1.00 0.00 O ATOM 431 CG2 THR A 26 7.971 -10.562 7.200 1.00 0.00 C ATOM 0 H THR A 26 7.027 -8.340 5.645 1.00 0.00 H new ATOM 0 HA THR A 26 6.668 -11.144 4.814 1.00 0.00 H new ATOM 0 HB THR A 26 5.972 -11.362 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.860 -8.715 7.690 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.069 -10.697 8.277 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.417 -11.413 6.685 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.484 -9.648 6.901 1.00 0.00 H new ATOM 439 N SER A 27 4.134 -11.336 5.014 1.00 0.00 N ATOM 440 CA SER A 27 2.724 -11.411 4.670 1.00 0.00 C ATOM 441 C SER A 27 1.868 -11.074 5.892 1.00 0.00 C ATOM 442 O SER A 27 0.877 -10.354 5.780 1.00 0.00 O ATOM 443 CB SER A 27 2.361 -12.797 4.134 1.00 0.00 C ATOM 444 OG SER A 27 2.846 -13.002 2.809 1.00 0.00 O ATOM 0 H SER A 27 4.548 -12.219 5.312 1.00 0.00 H new ATOM 0 HA SER A 27 2.525 -10.683 3.883 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.774 -13.560 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.278 -12.918 4.146 1.00 0.00 H new ATOM 0 HG SER A 27 3.777 -12.701 2.751 1.00 0.00 H new ATOM 450 N GLU A 28 2.282 -11.609 7.031 1.00 0.00 N ATOM 451 CA GLU A 28 1.565 -11.374 8.273 1.00 0.00 C ATOM 452 C GLU A 28 1.639 -9.895 8.656 1.00 0.00 C ATOM 453 O GLU A 28 0.681 -9.340 9.190 1.00 0.00 O ATOM 454 CB GLU A 28 2.109 -12.260 9.396 1.00 0.00 C ATOM 455 CG GLU A 28 1.011 -13.161 9.963 1.00 0.00 C ATOM 456 CD GLU A 28 0.230 -12.446 11.067 1.00 0.00 C ATOM 457 OE1 GLU A 28 0.892 -11.980 12.020 1.00 0.00 O ATOM 458 OE2 GLU A 28 -1.011 -12.381 10.934 1.00 0.00 O ATOM 0 H GLU A 28 3.105 -12.205 7.120 1.00 0.00 H new ATOM 0 HA GLU A 28 0.518 -11.638 8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.927 -12.872 9.017 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.519 -11.636 10.190 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.330 -13.457 9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.454 -14.075 10.359 1.00 0.00 H new ATOM 465 N GLY A 29 2.787 -9.299 8.368 1.00 0.00 N ATOM 466 CA GLY A 29 2.999 -7.895 8.676 1.00 0.00 C ATOM 467 C GLY A 29 2.237 -6.998 7.699 1.00 0.00 C ATOM 468 O GLY A 29 1.790 -5.912 8.066 1.00 0.00 O ATOM 0 H GLY A 29 3.580 -9.763 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.672 -7.689 9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.064 -7.666 8.631 1.00 0.00 H new ATOM 472 N LEU A 30 2.113 -7.485 6.473 1.00 0.00 N ATOM 473 CA LEU A 30 1.413 -6.741 5.439 1.00 0.00 C ATOM 474 C LEU A 30 -0.096 -6.860 5.665 1.00 0.00 C ATOM 475 O LEU A 30 -0.790 -5.852 5.791 1.00 0.00 O ATOM 476 CB LEU A 30 1.865 -7.197 4.051 1.00 0.00 C ATOM 477 CG LEU A 30 2.815 -6.253 3.311 1.00 0.00 C ATOM 478 CD1 LEU A 30 3.983 -7.024 2.693 1.00 0.00 C ATOM 479 CD2 LEU A 30 2.062 -5.423 2.270 1.00 0.00 C ATOM 0 H LEU A 30 2.485 -8.386 6.172 1.00 0.00 H new ATOM 0 HA LEU A 30 1.662 -5.681 5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.353 -8.167 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.979 -7.347 3.433 1.00 0.00 H new ATOM 0 HG LEU A 30 3.237 -5.556 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.643 -6.330 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.540 -7.533 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.600 -7.759 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.760 -4.761 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.594 -6.088 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.294 -4.828 2.765 1.00 0.00 H new ATOM 491 N ALA A 31 -0.559 -8.100 5.708 1.00 0.00 N ATOM 492 CA ALA A 31 -1.973 -8.364 5.916 1.00 0.00 C ATOM 493 C ALA A 31 -2.439 -7.651 7.187 1.00 0.00 C ATOM 494 O ALA A 31 -3.634 -7.430 7.377 1.00 0.00 O ATOM 495 CB ALA A 31 -2.207 -9.875 5.977 1.00 0.00 C ATOM 0 H ALA A 31 0.020 -8.933 5.602 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.562 -7.976 5.085 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.267 -10.073 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.887 -10.331 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.634 -10.299 6.801 1.00 0.00 H new ATOM 501 N PHE A 32 -1.471 -7.309 8.025 1.00 0.00 N ATOM 502 CA PHE A 32 -1.767 -6.625 9.272 1.00 0.00 C ATOM 503 C PHE A 32 -2.410 -5.262 9.010 1.00 0.00 C ATOM 504 O PHE A 32 -3.108 -4.725 9.869 1.00 0.00 O ATOM 505 CB PHE A 32 -0.435 -6.418 9.996 1.00 0.00 C ATOM 506 CG PHE A 32 -0.493 -6.700 11.498 1.00 0.00 C ATOM 507 CD1 PHE A 32 -1.585 -6.328 12.219 1.00 0.00 C ATOM 508 CD2 PHE A 32 0.548 -7.323 12.114 1.00 0.00 C ATOM 509 CE1 PHE A 32 -1.638 -6.590 13.613 1.00 0.00 C ATOM 510 CE2 PHE A 32 0.494 -7.585 13.508 1.00 0.00 C ATOM 511 CZ PHE A 32 -0.598 -7.213 14.229 1.00 0.00 C ATOM 0 H PHE A 32 -0.481 -7.493 7.864 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.464 -7.217 9.865 1.00 0.00 H new ATOM 0 HB2 PHE A 32 0.317 -7.065 9.544 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.105 -5.390 9.842 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.412 -5.833 11.731 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.415 -7.618 11.542 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -2.505 -6.294 14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.320 -8.080 13.997 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.639 -7.412 15.290 1.00 0.00 H new ATOM 521 N TRP A 33 -2.151 -4.740 7.820 1.00 0.00 N ATOM 522 CA TRP A 33 -2.696 -3.449 7.435 1.00 0.00 C ATOM 523 C TRP A 33 -3.266 -3.580 6.021 1.00 0.00 C ATOM 524 O TRP A 33 -4.406 -3.191 5.770 1.00 0.00 O ATOM 525 CB TRP A 33 -1.637 -2.351 7.553 1.00 0.00 C ATOM 526 CG TRP A 33 -0.370 -2.617 6.737 1.00 0.00 C ATOM 527 CD1 TRP A 33 0.669 -3.399 7.060 1.00 0.00 C ATOM 528 CD2 TRP A 33 -0.049 -2.065 5.443 1.00 0.00 C ATOM 529 NE1 TRP A 33 1.633 -3.392 6.072 1.00 0.00 N ATOM 530 CE2 TRP A 33 1.182 -2.555 5.057 1.00 0.00 C ATOM 531 CE3 TRP A 33 -0.775 -1.182 4.625 1.00 0.00 C ATOM 532 CZ2 TRP A 33 1.795 -2.219 3.845 1.00 0.00 C ATOM 533 CZ3 TRP A 33 -0.149 -0.856 3.416 1.00 0.00 C ATOM 534 CH2 TRP A 33 1.090 -1.340 3.013 1.00 0.00 C ATOM 0 H TRP A 33 -1.571 -5.187 7.110 1.00 0.00 H new ATOM 0 HA TRP A 33 -3.500 -3.152 8.109 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -2.072 -1.405 7.231 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -1.364 -2.236 8.602 1.00 0.00 H new ATOM 0 HD1 TRP A 33 0.743 -3.964 7.978 1.00 0.00 H new ATOM 0 HE1 TRP A 33 2.514 -3.906 6.084 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -1.740 -0.786 4.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 2.760 -2.616 3.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.665 -0.181 2.750 1.00 0.00 H new ATOM 0 HH2 TRP A 33 1.507 -1.040 2.063 1.00 0.00 H new ATOM 545 N PHE A 34 -2.448 -4.128 5.135 1.00 0.00 N ATOM 546 CA PHE A 34 -2.857 -4.315 3.754 1.00 0.00 C ATOM 547 C PHE A 34 -3.973 -5.356 3.648 1.00 0.00 C ATOM 548 O PHE A 34 -5.154 -5.014 3.705 1.00 0.00 O ATOM 549 CB PHE A 34 -1.632 -4.819 2.988 1.00 0.00 C ATOM 550 CG PHE A 34 -1.956 -5.413 1.616 1.00 0.00 C ATOM 551 CD1 PHE A 34 -2.858 -4.799 0.805 1.00 0.00 C ATOM 552 CD2 PHE A 34 -1.343 -6.556 1.208 1.00 0.00 C ATOM 553 CE1 PHE A 34 -3.160 -5.350 -0.468 1.00 0.00 C ATOM 554 CE2 PHE A 34 -1.644 -7.108 -0.066 1.00 0.00 C ATOM 555 CZ PHE A 34 -2.546 -6.493 -0.877 1.00 0.00 C ATOM 0 H PHE A 34 -1.503 -4.449 5.347 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.233 -3.376 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.932 -3.993 2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.126 -5.574 3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.345 -3.891 1.129 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.627 -7.044 1.853 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.877 -4.862 -1.112 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.157 -8.016 -0.390 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.775 -6.912 -1.846 1.00 0.00 H new ATOM 565 N MET A 35 -3.561 -6.606 3.497 1.00 0.00 N ATOM 566 CA MET A 35 -4.511 -7.700 3.383 1.00 0.00 C ATOM 567 C MET A 35 -3.793 -9.050 3.359 1.00 0.00 C ATOM 568 O MET A 35 -2.580 -9.109 3.165 1.00 0.00 O ATOM 569 CB MET A 35 -5.329 -7.534 2.101 1.00 0.00 C ATOM 570 CG MET A 35 -6.729 -6.998 2.410 1.00 0.00 C ATOM 571 SD MET A 35 -7.891 -7.587 1.189 1.00 0.00 S ATOM 572 CE MET A 35 -7.125 -6.958 -0.296 1.00 0.00 C ATOM 0 H MET A 35 -2.581 -6.886 3.451 1.00 0.00 H new ATOM 0 HA MET A 35 -5.170 -7.676 4.251 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.816 -6.852 1.423 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.408 -8.493 1.589 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.039 -7.319 3.404 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.717 -5.908 2.417 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.265 -7.672 -1.108 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.583 -6.006 -0.566 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.059 -6.811 -0.122 1.00 0.00 H new ATOM 582 N GLU A 36 -4.572 -10.103 3.560 1.00 0.00 N ATOM 583 CA GLU A 36 -4.026 -11.449 3.564 1.00 0.00 C ATOM 584 C GLU A 36 -3.337 -11.746 2.231 1.00 0.00 C ATOM 585 O GLU A 36 -3.928 -11.563 1.168 1.00 0.00 O ATOM 586 CB GLU A 36 -5.115 -12.482 3.861 1.00 0.00 C ATOM 587 CG GLU A 36 -5.756 -12.226 5.226 1.00 0.00 C ATOM 588 CD GLU A 36 -6.099 -13.543 5.926 1.00 0.00 C ATOM 589 OE1 GLU A 36 -5.201 -14.411 5.973 1.00 0.00 O ATOM 590 OE2 GLU A 36 -7.251 -13.651 6.398 1.00 0.00 O ATOM 0 H GLU A 36 -5.578 -10.051 3.721 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.282 -11.516 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.878 -12.444 3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.687 -13.484 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.075 -11.646 5.849 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.660 -11.630 5.101 1.00 0.00 H new ATOM 597 N ASN A 37 -2.096 -12.199 2.330 1.00 0.00 N ATOM 598 CA ASN A 37 -1.320 -12.523 1.145 1.00 0.00 C ATOM 599 C ASN A 37 -0.244 -13.548 1.510 1.00 0.00 C ATOM 600 O ASN A 37 -0.107 -13.922 2.673 1.00 0.00 O ATOM 601 CB ASN A 37 -0.620 -11.282 0.588 1.00 0.00 C ATOM 602 CG ASN A 37 0.403 -10.735 1.586 1.00 0.00 C ATOM 603 OD1 ASN A 37 1.604 -10.869 1.419 1.00 0.00 O ATOM 604 ND2 ASN A 37 -0.137 -10.113 2.630 1.00 0.00 N ATOM 0 H ASN A 37 -1.608 -12.349 3.213 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.003 -12.920 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -0.122 -11.531 -0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.359 -10.514 0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.463 -9.713 3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.151 -10.036 2.709 1.00 0.00 H new ATOM 611 N ASP A 38 0.492 -13.974 0.493 1.00 0.00 N ATOM 612 CA ASP A 38 1.551 -14.948 0.692 1.00 0.00 C ATOM 613 C ASP A 38 2.880 -14.353 0.223 1.00 0.00 C ATOM 614 O ASP A 38 3.782 -15.084 -0.182 1.00 0.00 O ATOM 615 CB ASP A 38 1.289 -16.219 -0.119 1.00 0.00 C ATOM 616 CG ASP A 38 2.049 -17.458 0.358 1.00 0.00 C ATOM 617 OD1 ASP A 38 3.230 -17.585 -0.033 1.00 0.00 O ATOM 618 OD2 ASP A 38 1.432 -18.250 1.103 1.00 0.00 O ATOM 0 H ASP A 38 0.375 -13.662 -0.471 1.00 0.00 H new ATOM 0 HA ASP A 38 1.585 -15.197 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.221 -16.434 -0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.551 -16.029 -1.160 1.00 0.00 H new ATOM 623 N LEU A 39 2.958 -13.033 0.294 1.00 0.00 N ATOM 624 CA LEU A 39 4.162 -12.331 -0.118 1.00 0.00 C ATOM 625 C LEU A 39 5.315 -12.716 0.811 1.00 0.00 C ATOM 626 O LEU A 39 5.094 -13.058 1.972 1.00 0.00 O ATOM 627 CB LEU A 39 3.907 -10.824 -0.189 1.00 0.00 C ATOM 628 CG LEU A 39 5.047 -9.977 -0.757 1.00 0.00 C ATOM 629 CD1 LEU A 39 4.587 -9.190 -1.985 1.00 0.00 C ATOM 630 CD2 LEU A 39 5.640 -9.064 0.319 1.00 0.00 C ATOM 0 H LEU A 39 2.207 -12.430 0.631 1.00 0.00 H new ATOM 0 HA LEU A 39 4.450 -12.630 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.018 -10.654 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.681 -10.466 0.815 1.00 0.00 H new ATOM 0 HG LEU A 39 5.841 -10.649 -1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.417 -8.597 -2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.250 -9.883 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.766 -8.529 -1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.448 -8.473 -0.111 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.865 -8.398 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.029 -9.671 1.137 1.00 0.00 H new ATOM 642 N LYS A 40 6.521 -12.648 0.266 1.00 0.00 N ATOM 643 CA LYS A 40 7.709 -12.985 1.032 1.00 0.00 C ATOM 644 C LYS A 40 8.875 -12.110 0.567 1.00 0.00 C ATOM 645 O LYS A 40 10.037 -12.473 0.744 1.00 0.00 O ATOM 646 CB LYS A 40 7.993 -14.486 0.946 1.00 0.00 C ATOM 647 CG LYS A 40 8.301 -15.065 2.328 1.00 0.00 C ATOM 648 CD LYS A 40 7.973 -16.559 2.382 1.00 0.00 C ATOM 649 CE LYS A 40 6.489 -16.784 2.677 1.00 0.00 C ATOM 650 NZ LYS A 40 6.298 -18.028 3.457 1.00 0.00 N ATOM 0 H LYS A 40 6.701 -12.364 -0.697 1.00 0.00 H new ATOM 0 HA LYS A 40 7.554 -12.774 2.090 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.132 -14.999 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.836 -14.663 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.354 -14.911 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.724 -14.535 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.234 -17.027 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.577 -17.040 3.151 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.090 -15.935 3.232 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.931 -16.845 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.285 -18.166 3.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.661 -18.837 2.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.814 -17.956 4.357 1.00 0.00 H new ATOM 664 N ALA A 41 8.525 -10.975 -0.020 1.00 0.00 N ATOM 665 CA ALA A 41 9.528 -10.046 -0.511 1.00 0.00 C ATOM 666 C ALA A 41 10.530 -10.801 -1.387 1.00 0.00 C ATOM 667 O ALA A 41 11.686 -10.977 -1.004 1.00 0.00 O ATOM 668 CB ALA A 41 10.199 -9.346 0.672 1.00 0.00 C ATOM 0 H ALA A 41 7.560 -10.678 -0.167 1.00 0.00 H new ATOM 0 HA ALA A 41 9.067 -9.274 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 41 10.952 -8.649 0.303 1.00 0.00 H new ATOM 0 HB2 ALA A 41 9.449 -8.801 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 41 10.675 -10.089 1.312 1.00 0.00 H new ATOM 674 N GLU A 42 10.051 -11.227 -2.547 1.00 0.00 N ATOM 675 CA GLU A 42 10.890 -11.959 -3.480 1.00 0.00 C ATOM 676 C GLU A 42 10.471 -11.657 -4.920 1.00 0.00 C ATOM 677 O GLU A 42 9.352 -11.970 -5.323 1.00 0.00 O ATOM 678 CB GLU A 42 10.842 -13.462 -3.198 1.00 0.00 C ATOM 679 CG GLU A 42 12.252 -14.051 -3.121 1.00 0.00 C ATOM 680 CD GLU A 42 12.228 -15.454 -2.511 1.00 0.00 C ATOM 681 OE1 GLU A 42 11.990 -16.406 -3.286 1.00 0.00 O ATOM 682 OE2 GLU A 42 12.447 -15.543 -1.284 1.00 0.00 O ATOM 0 H GLU A 42 9.092 -11.079 -2.862 1.00 0.00 H new ATOM 0 HA GLU A 42 11.921 -11.631 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.317 -13.643 -2.260 1.00 0.00 H new ATOM 0 HB3 GLU A 42 10.276 -13.965 -3.982 1.00 0.00 H new ATOM 0 HG2 GLU A 42 12.688 -14.092 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 42 12.889 -13.401 -2.522 1.00 0.00 H new ATOM 689 N THR A 43 11.392 -11.053 -5.656 1.00 0.00 N ATOM 690 CA THR A 43 11.132 -10.705 -7.043 1.00 0.00 C ATOM 691 C THR A 43 10.703 -11.944 -7.832 1.00 0.00 C ATOM 692 O THR A 43 11.241 -13.031 -7.628 1.00 0.00 O ATOM 693 CB THR A 43 12.385 -10.031 -7.604 1.00 0.00 C ATOM 694 OG1 THR A 43 11.888 -9.167 -8.623 1.00 0.00 O ATOM 695 CG2 THR A 43 13.290 -11.010 -8.355 1.00 0.00 C ATOM 0 H THR A 43 12.319 -10.796 -5.318 1.00 0.00 H new ATOM 0 HA THR A 43 10.303 -10.002 -7.126 1.00 0.00 H new ATOM 0 HB THR A 43 12.945 -9.571 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.635 -8.688 -9.039 1.00 0.00 H new ATOM 0 HG21 THR A 43 14.165 -10.480 -8.733 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.610 -11.802 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 43 12.741 -11.446 -9.190 1.00 0.00 H new ATOM 703 N GLY A 44 9.738 -11.739 -8.716 1.00 0.00 N ATOM 704 CA GLY A 44 9.231 -12.825 -9.537 1.00 0.00 C ATOM 705 C GLY A 44 8.498 -13.861 -8.682 1.00 0.00 C ATOM 706 O GLY A 44 8.420 -15.032 -9.051 1.00 0.00 O ATOM 0 H GLY A 44 9.293 -10.836 -8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.554 -12.428 -10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.056 -13.302 -10.066 1.00 0.00 H new ATOM 710 N HIS A 45 7.979 -13.392 -7.557 1.00 0.00 N ATOM 711 CA HIS A 45 7.254 -14.264 -6.647 1.00 0.00 C ATOM 712 C HIS A 45 5.777 -14.304 -7.042 1.00 0.00 C ATOM 713 O HIS A 45 5.276 -13.379 -7.681 1.00 0.00 O ATOM 714 CB HIS A 45 7.468 -13.831 -5.195 1.00 0.00 C ATOM 715 CG HIS A 45 6.566 -14.530 -4.207 1.00 0.00 C ATOM 716 ND1 HIS A 45 6.459 -15.908 -4.133 1.00 0.00 N ATOM 717 CD2 HIS A 45 5.731 -14.028 -3.252 1.00 0.00 C ATOM 718 CE1 HIS A 45 5.595 -16.210 -3.175 1.00 0.00 C ATOM 719 NE2 HIS A 45 5.144 -15.044 -2.631 1.00 0.00 N ATOM 0 H HIS A 45 8.046 -12.420 -7.255 1.00 0.00 H new ATOM 0 HA HIS A 45 7.642 -15.280 -6.724 1.00 0.00 H new ATOM 0 HB2 HIS A 45 8.506 -14.019 -4.920 1.00 0.00 H new ATOM 0 HB3 HIS A 45 7.308 -12.755 -5.120 1.00 0.00 H new ATOM 0 HD2 HIS A 45 5.574 -12.981 -3.037 1.00 0.00 H new ATOM 0 HE1 HIS A 45 5.300 -17.205 -2.877 1.00 0.00 H new ATOM 0 HE2 HIS A 45 4.467 -14.965 -1.872 1.00 0.00 H new ATOM 727 N HIS A 46 5.120 -15.384 -6.645 1.00 0.00 N ATOM 728 CA HIS A 46 3.710 -15.557 -6.950 1.00 0.00 C ATOM 729 C HIS A 46 2.924 -15.744 -5.651 1.00 0.00 C ATOM 730 O HIS A 46 3.109 -16.735 -4.946 1.00 0.00 O ATOM 731 CB HIS A 46 3.505 -16.707 -7.938 1.00 0.00 C ATOM 732 CG HIS A 46 4.341 -17.929 -7.641 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.859 -19.011 -6.925 1.00 0.00 N ATOM 734 CD2 HIS A 46 5.630 -18.228 -7.971 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.824 -19.915 -6.834 1.00 0.00 C ATOM 736 NE2 HIS A 46 5.920 -19.428 -7.482 1.00 0.00 N ATOM 0 H HIS A 46 5.538 -16.148 -6.115 1.00 0.00 H new ATOM 0 HA HIS A 46 3.327 -14.662 -7.440 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.452 -16.990 -7.936 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.739 -16.355 -8.943 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.301 -17.596 -8.534 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.754 -20.870 -6.334 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.816 -19.907 -7.576 1.00 0.00 H new ATOM 744 N PHE A 47 2.063 -14.776 -5.374 1.00 0.00 N ATOM 745 CA PHE A 47 1.247 -14.822 -4.172 1.00 0.00 C ATOM 746 C PHE A 47 -0.174 -14.332 -4.455 1.00 0.00 C ATOM 747 O PHE A 47 -0.363 -13.266 -5.038 1.00 0.00 O ATOM 748 CB PHE A 47 1.902 -13.888 -3.152 1.00 0.00 C ATOM 749 CG PHE A 47 1.537 -12.413 -3.334 1.00 0.00 C ATOM 750 CD1 PHE A 47 0.354 -11.942 -2.855 1.00 0.00 C ATOM 751 CD2 PHE A 47 2.394 -11.574 -3.974 1.00 0.00 C ATOM 752 CE1 PHE A 47 0.015 -10.573 -3.024 1.00 0.00 C ATOM 753 CE2 PHE A 47 2.055 -10.206 -4.143 1.00 0.00 C ATOM 754 CZ PHE A 47 0.873 -9.734 -3.664 1.00 0.00 C ATOM 0 H PHE A 47 1.912 -13.955 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 47 1.183 -15.846 -3.804 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.613 -14.202 -2.149 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.985 -13.995 -3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.327 -12.609 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 47 3.333 -11.948 -4.354 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.924 -10.198 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.736 -9.540 -4.652 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.616 -8.693 -3.792 1.00 0.00 H new ATOM 764 N HIS A 48 -1.138 -15.135 -4.029 1.00 0.00 N ATOM 765 CA HIS A 48 -2.537 -14.796 -4.229 1.00 0.00 C ATOM 766 C HIS A 48 -3.013 -13.888 -3.094 1.00 0.00 C ATOM 767 O HIS A 48 -2.392 -13.836 -2.033 1.00 0.00 O ATOM 768 CB HIS A 48 -3.387 -16.061 -4.373 1.00 0.00 C ATOM 769 CG HIS A 48 -3.618 -16.486 -5.803 1.00 0.00 C ATOM 770 ND1 HIS A 48 -2.754 -17.325 -6.485 1.00 0.00 N ATOM 771 CD2 HIS A 48 -4.624 -16.180 -6.672 1.00 0.00 C ATOM 772 CE1 HIS A 48 -3.228 -17.508 -7.709 1.00 0.00 C ATOM 773 NE2 HIS A 48 -4.387 -16.798 -7.823 1.00 0.00 N ATOM 0 H HIS A 48 -0.978 -16.019 -3.546 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.651 -14.243 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.901 -16.876 -3.837 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -4.352 -15.895 -3.894 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.470 -15.543 -6.460 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.776 -18.113 -8.481 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.975 -16.750 -8.655 1.00 0.00 H new ATOM 781 N LEU A 49 -4.111 -13.194 -3.355 1.00 0.00 N ATOM 782 CA LEU A 49 -4.678 -12.291 -2.368 1.00 0.00 C ATOM 783 C LEU A 49 -6.125 -12.697 -2.082 1.00 0.00 C ATOM 784 O LEU A 49 -6.871 -13.038 -2.999 1.00 0.00 O ATOM 785 CB LEU A 49 -4.526 -10.838 -2.822 1.00 0.00 C ATOM 786 CG LEU A 49 -4.812 -9.771 -1.764 1.00 0.00 C ATOM 787 CD1 LEU A 49 -3.638 -9.633 -0.793 1.00 0.00 C ATOM 788 CD2 LEU A 49 -5.176 -8.435 -2.416 1.00 0.00 C ATOM 0 H LEU A 49 -4.623 -13.239 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.134 -12.366 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.508 -10.697 -3.186 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.193 -10.671 -3.668 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.676 -10.091 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.867 -8.868 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.467 -10.585 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.742 -9.347 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.374 -7.694 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.348 -8.096 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.065 -8.562 -3.033 1.00 0.00 H new ATOM 800 N GLN A 50 -6.479 -12.648 -0.806 1.00 0.00 N ATOM 801 CA GLN A 50 -7.823 -13.007 -0.388 1.00 0.00 C ATOM 802 C GLN A 50 -8.611 -11.753 -0.002 1.00 0.00 C ATOM 803 O GLN A 50 -8.781 -11.462 1.181 1.00 0.00 O ATOM 804 CB GLN A 50 -7.789 -14.010 0.767 1.00 0.00 C ATOM 805 CG GLN A 50 -7.263 -15.368 0.298 1.00 0.00 C ATOM 806 CD GLN A 50 -8.337 -16.449 0.434 1.00 0.00 C ATOM 807 OE1 GLN A 50 -8.538 -17.032 1.487 1.00 0.00 O ATOM 808 NE2 GLN A 50 -9.014 -16.683 -0.687 1.00 0.00 N ATOM 0 H GLN A 50 -5.858 -12.365 -0.048 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.328 -13.486 -1.227 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.156 -13.627 1.567 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.790 -14.127 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.942 -15.298 -0.741 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.387 -15.645 0.885 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.795 -16.159 -1.534 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.752 -17.387 -0.699 1.00 0.00 H new ATOM 817 N SER A 51 -9.072 -11.045 -1.023 1.00 0.00 N ATOM 818 CA SER A 51 -9.838 -9.830 -0.805 1.00 0.00 C ATOM 819 C SER A 51 -11.319 -10.170 -0.624 1.00 0.00 C ATOM 820 O SER A 51 -11.762 -11.253 -1.005 1.00 0.00 O ATOM 821 CB SER A 51 -9.657 -8.850 -1.966 1.00 0.00 C ATOM 822 OG SER A 51 -10.727 -8.929 -2.904 1.00 0.00 O ATOM 0 H SER A 51 -8.930 -11.290 -2.003 1.00 0.00 H new ATOM 0 HA SER A 51 -9.469 -9.351 0.102 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.591 -7.834 -1.576 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.715 -9.058 -2.473 1.00 0.00 H new ATOM 0 HG SER A 51 -10.616 -9.728 -3.461 1.00 0.00 H new ATOM 828 N PRO A 52 -12.063 -9.201 -0.028 1.00 0.00 N ATOM 829 CA PRO A 52 -13.484 -9.387 0.209 1.00 0.00 C ATOM 830 C PRO A 52 -14.279 -9.245 -1.091 1.00 0.00 C ATOM 831 O PRO A 52 -15.471 -9.548 -1.130 1.00 0.00 O ATOM 832 CB PRO A 52 -13.851 -8.339 1.246 1.00 0.00 C ATOM 833 CG PRO A 52 -12.735 -7.307 1.210 1.00 0.00 C ATOM 834 CD PRO A 52 -11.572 -7.906 0.436 1.00 0.00 C ATOM 0 HA PRO A 52 -13.723 -10.387 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.813 -7.882 1.015 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.939 -8.784 2.237 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.079 -6.389 0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.425 -7.044 2.221 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.283 -7.269 -0.400 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.692 -8.020 1.069 1.00 0.00 H new ATOM 842 N PHE A 53 -13.587 -8.785 -2.123 1.00 0.00 N ATOM 843 CA PHE A 53 -14.214 -8.599 -3.421 1.00 0.00 C ATOM 844 C PHE A 53 -13.728 -9.652 -4.420 1.00 0.00 C ATOM 845 O PHE A 53 -13.600 -9.371 -5.610 1.00 0.00 O ATOM 846 CB PHE A 53 -13.805 -7.212 -3.921 1.00 0.00 C ATOM 847 CG PHE A 53 -14.609 -6.067 -3.303 1.00 0.00 C ATOM 848 CD1 PHE A 53 -15.968 -6.077 -3.369 1.00 0.00 C ATOM 849 CD2 PHE A 53 -13.966 -5.038 -2.689 1.00 0.00 C ATOM 850 CE1 PHE A 53 -16.714 -5.013 -2.796 1.00 0.00 C ATOM 851 CE2 PHE A 53 -14.712 -3.975 -2.116 1.00 0.00 C ATOM 852 CZ PHE A 53 -16.071 -3.985 -2.182 1.00 0.00 C ATOM 0 H PHE A 53 -12.599 -8.536 -2.087 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.296 -8.695 -3.329 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -12.748 -7.057 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -13.919 -7.179 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -16.479 -6.894 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -12.887 -5.030 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -17.793 -5.021 -2.848 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -14.201 -3.158 -1.628 1.00 0.00 H new ATOM 0 HZ PHE A 53 -16.639 -3.176 -1.746 1.00 0.00 H new ATOM 862 N GLY A 54 -13.470 -10.842 -3.898 1.00 0.00 N ATOM 863 CA GLY A 54 -13.001 -11.938 -4.729 1.00 0.00 C ATOM 864 C GLY A 54 -11.475 -12.046 -4.684 1.00 0.00 C ATOM 865 O GLY A 54 -10.784 -11.049 -4.478 1.00 0.00 O ATOM 0 H GLY A 54 -13.577 -11.071 -2.910 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -13.446 -12.873 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -13.328 -11.785 -5.757 1.00 0.00 H new ATOM 869 N PRO A 55 -10.982 -13.298 -4.884 1.00 0.00 N ATOM 870 CA PRO A 55 -9.551 -13.549 -4.868 1.00 0.00 C ATOM 871 C PRO A 55 -8.891 -13.046 -6.153 1.00 0.00 C ATOM 872 O PRO A 55 -9.436 -13.217 -7.243 1.00 0.00 O ATOM 873 CB PRO A 55 -9.418 -15.052 -4.681 1.00 0.00 C ATOM 874 CG PRO A 55 -10.766 -15.641 -5.064 1.00 0.00 C ATOM 875 CD PRO A 55 -11.770 -14.502 -5.130 1.00 0.00 C ATOM 0 HA PRO A 55 -9.039 -13.014 -4.068 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.623 -15.455 -5.309 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.164 -15.296 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -10.701 -16.149 -6.026 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.080 -16.385 -4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.260 -14.462 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.554 -14.622 -4.382 1.00 0.00 H new ATOM 883 N SER A 56 -7.728 -12.436 -5.984 1.00 0.00 N ATOM 884 CA SER A 56 -6.988 -11.907 -7.117 1.00 0.00 C ATOM 885 C SER A 56 -5.508 -12.271 -6.992 1.00 0.00 C ATOM 886 O SER A 56 -4.943 -12.226 -5.900 1.00 0.00 O ATOM 887 CB SER A 56 -7.154 -10.389 -7.223 1.00 0.00 C ATOM 888 OG SER A 56 -7.989 -10.018 -8.316 1.00 0.00 O ATOM 0 H SER A 56 -7.279 -12.296 -5.079 1.00 0.00 H new ATOM 0 HA SER A 56 -7.390 -12.354 -8.026 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.579 -10.005 -6.296 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.175 -9.925 -7.341 1.00 0.00 H new ATOM 0 HG SER A 56 -7.920 -9.052 -8.467 1.00 0.00 H new ATOM 894 N PRO A 57 -4.905 -12.634 -8.156 1.00 0.00 N ATOM 895 CA PRO A 57 -3.501 -13.007 -8.187 1.00 0.00 C ATOM 896 C PRO A 57 -2.604 -11.774 -8.067 1.00 0.00 C ATOM 897 O PRO A 57 -3.028 -10.660 -8.373 1.00 0.00 O ATOM 898 CB PRO A 57 -3.319 -13.747 -9.502 1.00 0.00 C ATOM 899 CG PRO A 57 -4.508 -13.360 -10.366 1.00 0.00 C ATOM 900 CD PRO A 57 -5.542 -12.700 -9.468 1.00 0.00 C ATOM 0 HA PRO A 57 -3.215 -13.639 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.381 -13.467 -9.981 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -3.286 -14.825 -9.342 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.199 -12.677 -11.157 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.930 -14.240 -10.851 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.805 -11.706 -9.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.464 -13.281 -9.432 1.00 0.00 H new ATOM 908 N CYS A 58 -1.379 -12.013 -7.621 1.00 0.00 N ATOM 909 CA CYS A 58 -0.418 -10.936 -7.456 1.00 0.00 C ATOM 910 C CYS A 58 0.969 -11.470 -7.816 1.00 0.00 C ATOM 911 O CYS A 58 1.239 -12.660 -7.661 1.00 0.00 O ATOM 912 CB CYS A 58 -0.457 -10.354 -6.041 1.00 0.00 C ATOM 913 SG CYS A 58 -2.161 -9.832 -5.625 1.00 0.00 S ATOM 0 H CYS A 58 -1.030 -12.938 -7.369 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.673 -10.113 -8.123 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.110 -11.098 -5.323 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.220 -9.503 -5.970 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.897 -9.859 -6.696 1.00 0.00 H new ATOM 919 N GLN A 59 1.813 -10.565 -8.289 1.00 0.00 N ATOM 920 CA GLN A 59 3.166 -10.930 -8.672 1.00 0.00 C ATOM 921 C GLN A 59 4.123 -9.765 -8.417 1.00 0.00 C ATOM 922 O GLN A 59 3.860 -8.638 -8.834 1.00 0.00 O ATOM 923 CB GLN A 59 3.220 -11.374 -10.135 1.00 0.00 C ATOM 924 CG GLN A 59 4.667 -11.563 -10.598 1.00 0.00 C ATOM 925 CD GLN A 59 4.784 -12.744 -11.563 1.00 0.00 C ATOM 926 OE1 GLN A 59 4.065 -12.852 -12.543 1.00 0.00 O ATOM 927 NE2 GLN A 59 5.727 -13.622 -11.233 1.00 0.00 N ATOM 0 H GLN A 59 1.586 -9.579 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 59 3.481 -11.774 -8.058 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.671 -12.308 -10.256 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.728 -10.631 -10.763 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.018 -10.654 -11.086 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.310 -11.730 -9.734 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.294 -13.472 -10.399 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.883 -14.446 -11.814 1.00 0.00 H new ATOM 936 N VAL A 60 5.214 -10.076 -7.732 1.00 0.00 N ATOM 937 CA VAL A 60 6.212 -9.068 -7.416 1.00 0.00 C ATOM 938 C VAL A 60 7.033 -8.758 -8.670 1.00 0.00 C ATOM 939 O VAL A 60 7.405 -9.666 -9.412 1.00 0.00 O ATOM 940 CB VAL A 60 7.071 -9.533 -6.239 1.00 0.00 C ATOM 941 CG1 VAL A 60 7.971 -8.402 -5.736 1.00 0.00 C ATOM 942 CG2 VAL A 60 6.200 -10.085 -5.109 1.00 0.00 C ATOM 0 H VAL A 60 5.429 -11.012 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 60 5.732 -8.140 -7.104 1.00 0.00 H new ATOM 0 HB VAL A 60 7.713 -10.340 -6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.571 -8.759 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.629 -8.075 -6.541 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.355 -7.565 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.835 -10.409 -4.285 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.521 -9.307 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.622 -10.933 -5.476 1.00 0.00 H new ATOM 952 N THR A 61 7.290 -7.474 -8.867 1.00 0.00 N ATOM 953 CA THR A 61 8.060 -7.033 -10.018 1.00 0.00 C ATOM 954 C THR A 61 9.468 -6.616 -9.590 1.00 0.00 C ATOM 955 O THR A 61 10.419 -6.741 -10.361 1.00 0.00 O ATOM 956 CB THR A 61 7.279 -5.914 -10.710 1.00 0.00 C ATOM 957 OG1 THR A 61 7.315 -4.838 -9.777 1.00 0.00 O ATOM 958 CG2 THR A 61 5.790 -6.238 -10.846 1.00 0.00 C ATOM 0 H THR A 61 6.979 -6.724 -8.249 1.00 0.00 H new ATOM 0 HA THR A 61 8.198 -7.843 -10.734 1.00 0.00 H new ATOM 0 HB THR A 61 7.703 -5.732 -11.697 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.833 -4.069 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.282 -5.412 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.668 -7.147 -11.435 1.00 0.00 H new ATOM 0 HG23 THR A 61 5.358 -6.386 -9.856 1.00 0.00 H new ATOM 966 N ASP A 62 9.558 -6.128 -8.361 1.00 0.00 N ATOM 967 CA ASP A 62 10.834 -5.691 -7.821 1.00 0.00 C ATOM 968 C ASP A 62 10.747 -5.641 -6.294 1.00 0.00 C ATOM 969 O ASP A 62 9.777 -5.126 -5.741 1.00 0.00 O ATOM 970 CB ASP A 62 11.193 -4.290 -8.319 1.00 0.00 C ATOM 971 CG ASP A 62 12.462 -4.211 -9.170 1.00 0.00 C ATOM 972 OD1 ASP A 62 13.402 -4.974 -8.859 1.00 0.00 O ATOM 973 OD2 ASP A 62 12.464 -3.389 -10.112 1.00 0.00 O ATOM 0 H ASP A 62 8.768 -6.026 -7.724 1.00 0.00 H new ATOM 0 HA ASP A 62 11.597 -6.397 -8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.358 -3.903 -8.903 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.310 -3.633 -7.457 1.00 0.00 H new ATOM 978 N VAL A 63 11.773 -6.185 -5.657 1.00 0.00 N ATOM 979 CA VAL A 63 11.825 -6.209 -4.205 1.00 0.00 C ATOM 980 C VAL A 63 13.270 -6.428 -3.753 1.00 0.00 C ATOM 981 O VAL A 63 13.812 -7.521 -3.904 1.00 0.00 O ATOM 982 CB VAL A 63 10.863 -7.269 -3.665 1.00 0.00 C ATOM 983 CG1 VAL A 63 11.179 -8.646 -4.252 1.00 0.00 C ATOM 984 CG2 VAL A 63 10.889 -7.305 -2.135 1.00 0.00 C ATOM 0 H VAL A 63 12.575 -6.613 -6.120 1.00 0.00 H new ATOM 0 HA VAL A 63 11.498 -5.253 -3.796 1.00 0.00 H new ATOM 0 HB VAL A 63 9.855 -6.996 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.481 -9.381 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.085 -8.609 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.197 -8.930 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.196 -8.067 -1.777 1.00 0.00 H new ATOM 0 HG22 VAL A 63 11.897 -7.542 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.592 -6.332 -1.743 1.00 0.00 H new ATOM 994 N GLU A 64 13.853 -5.370 -3.209 1.00 0.00 N ATOM 995 CA GLU A 64 15.225 -5.432 -2.735 1.00 0.00 C ATOM 996 C GLU A 64 15.459 -4.382 -1.647 1.00 0.00 C ATOM 997 O GLU A 64 15.578 -3.194 -1.942 1.00 0.00 O ATOM 998 CB GLU A 64 16.213 -5.255 -3.889 1.00 0.00 C ATOM 999 CG GLU A 64 17.652 -5.474 -3.418 1.00 0.00 C ATOM 1000 CD GLU A 64 18.331 -6.581 -4.228 1.00 0.00 C ATOM 1001 OE1 GLU A 64 17.629 -7.565 -4.545 1.00 0.00 O ATOM 1002 OE2 GLU A 64 19.538 -6.418 -4.511 1.00 0.00 O ATOM 0 H GLU A 64 13.400 -4.464 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 64 15.395 -6.418 -2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.976 -5.960 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.112 -4.254 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 64 18.216 -4.547 -3.518 1.00 0.00 H new ATOM 0 HG3 GLU A 64 17.656 -5.737 -2.360 1.00 0.00 H new ATOM 1009 N ARG A 65 15.518 -4.859 -0.412 1.00 0.00 N ATOM 1010 CA ARG A 65 15.736 -3.976 0.721 1.00 0.00 C ATOM 1011 C ARG A 65 14.669 -2.879 0.753 1.00 0.00 C ATOM 1012 O ARG A 65 13.940 -2.690 -0.220 1.00 0.00 O ATOM 1013 CB ARG A 65 17.121 -3.328 0.657 1.00 0.00 C ATOM 1014 CG ARG A 65 18.011 -3.823 1.799 1.00 0.00 C ATOM 1015 CD ARG A 65 18.968 -2.724 2.263 1.00 0.00 C ATOM 1016 NE ARG A 65 20.280 -2.879 1.595 1.00 0.00 N ATOM 1017 CZ ARG A 65 21.346 -2.108 1.845 1.00 0.00 C ATOM 1018 NH1 ARG A 65 21.264 -1.123 2.750 1.00 0.00 N ATOM 1019 NH2 ARG A 65 22.496 -2.321 1.191 1.00 0.00 N ATOM 0 H ARG A 65 15.419 -5.845 -0.171 1.00 0.00 H new ATOM 0 HA ARG A 65 15.671 -4.578 1.627 1.00 0.00 H new ATOM 0 HB2 ARG A 65 17.590 -3.557 -0.300 1.00 0.00 H new ATOM 0 HB3 ARG A 65 17.022 -2.244 0.712 1.00 0.00 H new ATOM 0 HG2 ARG A 65 17.390 -4.147 2.635 1.00 0.00 H new ATOM 0 HG3 ARG A 65 18.581 -4.692 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 65 18.548 -1.744 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 65 19.093 -2.773 3.345 1.00 0.00 H new ATOM 0 HE ARG A 65 20.378 -3.620 0.901 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.389 -0.960 3.249 1.00 0.00 H new ATOM 0 HH12 ARG A 65 22.076 -0.536 2.940 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.560 -3.071 0.502 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.308 -1.733 1.382 1.00 0.00 H new ATOM 1033 N PRO A 66 14.610 -2.168 1.910 1.00 0.00 N ATOM 1034 CA PRO A 66 13.644 -1.096 2.081 1.00 0.00 C ATOM 1035 C PRO A 66 14.063 0.149 1.297 1.00 0.00 C ATOM 1036 O PRO A 66 14.451 1.157 1.886 1.00 0.00 O ATOM 1037 CB PRO A 66 13.580 -0.860 3.581 1.00 0.00 C ATOM 1038 CG PRO A 66 14.844 -1.480 4.155 1.00 0.00 C ATOM 1039 CD PRO A 66 15.457 -2.365 3.083 1.00 0.00 C ATOM 0 HA PRO A 66 12.659 -1.350 1.689 1.00 0.00 H new ATOM 0 HB2 PRO A 66 13.530 0.205 3.807 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.690 -1.319 4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 66 15.547 -0.704 4.457 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.612 -2.064 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 66 16.489 -2.081 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 66 15.469 -3.410 3.392 1.00 0.00 H new ATOM 1047 N ILE A 67 13.970 0.039 -0.020 1.00 0.00 N ATOM 1048 CA ILE A 67 14.335 1.144 -0.891 1.00 0.00 C ATOM 1049 C ILE A 67 13.344 1.219 -2.054 1.00 0.00 C ATOM 1050 O ILE A 67 12.851 2.296 -2.385 1.00 0.00 O ATOM 1051 CB ILE A 67 15.794 1.018 -1.333 1.00 0.00 C ATOM 1052 CG1 ILE A 67 16.091 -0.390 -1.852 1.00 0.00 C ATOM 1053 CG2 ILE A 67 16.746 1.426 -0.207 1.00 0.00 C ATOM 1054 CD1 ILE A 67 16.028 -0.436 -3.380 1.00 0.00 C ATOM 0 H ILE A 67 13.647 -0.798 -0.505 1.00 0.00 H new ATOM 0 HA ILE A 67 14.270 2.090 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 67 15.960 1.708 -2.161 1.00 0.00 H new ATOM 0 HG12 ILE A 67 17.079 -0.704 -1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 67 15.372 -1.095 -1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 67 17.777 1.327 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 67 16.555 2.462 0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 67 16.586 0.780 0.657 1.00 0.00 H new ATOM 0 HD11 ILE A 67 16.243 -1.448 -3.723 1.00 0.00 H new ATOM 0 HD12 ILE A 67 15.032 -0.144 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 67 16.765 0.252 -3.795 1.00 0.00 H new ATOM 1066 N LYS A 68 13.082 0.061 -2.643 1.00 0.00 N ATOM 1067 CA LYS A 68 12.159 -0.018 -3.762 1.00 0.00 C ATOM 1068 C LYS A 68 11.400 -1.345 -3.699 1.00 0.00 C ATOM 1069 O LYS A 68 12.001 -2.414 -3.799 1.00 0.00 O ATOM 1070 CB LYS A 68 12.899 0.205 -5.083 1.00 0.00 C ATOM 1071 CG LYS A 68 11.956 0.028 -6.275 1.00 0.00 C ATOM 1072 CD LYS A 68 12.129 1.164 -7.284 1.00 0.00 C ATOM 1073 CE LYS A 68 11.385 0.859 -8.586 1.00 0.00 C ATOM 1074 NZ LYS A 68 11.056 2.113 -9.301 1.00 0.00 N ATOM 0 H LYS A 68 13.493 -0.830 -2.366 1.00 0.00 H new ATOM 0 HA LYS A 68 11.416 0.778 -3.700 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.328 1.207 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.728 -0.498 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 68 12.153 -0.928 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.924 0.001 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.755 2.095 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.189 1.312 -7.492 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.999 0.221 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.471 0.307 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.551 1.888 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.452 2.708 -8.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.933 2.625 -9.525 1.00 0.00 H new ATOM 1088 N LEU A 69 10.091 -1.234 -3.532 1.00 0.00 N ATOM 1089 CA LEU A 69 9.243 -2.412 -3.454 1.00 0.00 C ATOM 1090 C LEU A 69 7.987 -2.187 -4.298 1.00 0.00 C ATOM 1091 O LEU A 69 7.299 -1.180 -4.138 1.00 0.00 O ATOM 1092 CB LEU A 69 8.949 -2.765 -1.995 1.00 0.00 C ATOM 1093 CG LEU A 69 8.045 -3.978 -1.767 1.00 0.00 C ATOM 1094 CD1 LEU A 69 8.832 -5.282 -1.908 1.00 0.00 C ATOM 1095 CD2 LEU A 69 7.330 -3.883 -0.418 1.00 0.00 C ATOM 0 H LEU A 69 9.596 -0.346 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 69 9.756 -3.279 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.897 -2.943 -1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.489 -1.899 -1.518 1.00 0.00 H new ATOM 0 HG LEU A 69 7.276 -3.981 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.166 -6.129 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 69 9.255 -5.345 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.636 -5.303 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.694 -4.758 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.068 -3.842 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.718 -2.982 -0.393 1.00 0.00 H new ATOM 1107 N SER A 70 7.725 -3.143 -5.177 1.00 0.00 N ATOM 1108 CA SER A 70 6.563 -3.062 -6.046 1.00 0.00 C ATOM 1109 C SER A 70 5.900 -4.436 -6.162 1.00 0.00 C ATOM 1110 O SER A 70 6.571 -5.463 -6.076 1.00 0.00 O ATOM 1111 CB SER A 70 6.946 -2.539 -7.432 1.00 0.00 C ATOM 1112 OG SER A 70 5.818 -2.043 -8.146 1.00 0.00 O ATOM 0 H SER A 70 8.297 -3.977 -5.306 1.00 0.00 H new ATOM 0 HA SER A 70 5.855 -2.360 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.687 -1.746 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.414 -3.339 -8.005 1.00 0.00 H new ATOM 0 HG SER A 70 6.105 -1.717 -9.025 1.00 0.00 H new ATOM 1118 N PHE A 71 4.589 -4.411 -6.356 1.00 0.00 N ATOM 1119 CA PHE A 71 3.828 -5.641 -6.485 1.00 0.00 C ATOM 1120 C PHE A 71 2.519 -5.400 -7.240 1.00 0.00 C ATOM 1121 O PHE A 71 1.818 -4.424 -6.979 1.00 0.00 O ATOM 1122 CB PHE A 71 3.504 -6.118 -5.067 1.00 0.00 C ATOM 1123 CG PHE A 71 2.386 -5.326 -4.385 1.00 0.00 C ATOM 1124 CD1 PHE A 71 2.658 -4.124 -3.811 1.00 0.00 C ATOM 1125 CD2 PHE A 71 1.122 -5.825 -4.353 1.00 0.00 C ATOM 1126 CE1 PHE A 71 1.620 -3.389 -3.178 1.00 0.00 C ATOM 1127 CE2 PHE A 71 0.084 -5.091 -3.720 1.00 0.00 C ATOM 1128 CZ PHE A 71 0.356 -3.888 -3.145 1.00 0.00 C ATOM 0 H PHE A 71 4.035 -3.557 -6.427 1.00 0.00 H new ATOM 0 HA PHE A 71 4.406 -6.379 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.220 -7.170 -5.104 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.405 -6.053 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 71 3.663 -3.728 -3.836 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.907 -6.780 -4.809 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.835 -2.434 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -0.920 -5.487 -3.695 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.432 -3.330 -2.662 1.00 0.00 H new ATOM 1138 N THR A 72 2.230 -6.306 -8.163 1.00 0.00 N ATOM 1139 CA THR A 72 1.019 -6.204 -8.958 1.00 0.00 C ATOM 1140 C THR A 72 -0.148 -6.887 -8.242 1.00 0.00 C ATOM 1141 O THR A 72 0.047 -7.865 -7.523 1.00 0.00 O ATOM 1142 CB THR A 72 1.310 -6.791 -10.341 1.00 0.00 C ATOM 1143 OG1 THR A 72 1.464 -8.187 -10.100 1.00 0.00 O ATOM 1144 CG2 THR A 72 2.670 -6.355 -10.888 1.00 0.00 C ATOM 0 H THR A 72 2.814 -7.114 -8.378 1.00 0.00 H new ATOM 0 HA THR A 72 0.717 -5.165 -9.087 1.00 0.00 H new ATOM 0 HB THR A 72 0.526 -6.489 -11.036 1.00 0.00 H new ATOM 0 HG1 THR A 72 2.374 -8.366 -9.783 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.826 -6.799 -11.871 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.697 -5.269 -10.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 3.458 -6.686 -10.211 1.00 0.00 H new ATOM 1152 N TRP A 73 -1.336 -6.343 -8.463 1.00 0.00 N ATOM 1153 CA TRP A 73 -2.535 -6.887 -7.848 1.00 0.00 C ATOM 1154 C TRP A 73 -3.678 -6.772 -8.858 1.00 0.00 C ATOM 1155 O TRP A 73 -3.882 -5.715 -9.453 1.00 0.00 O ATOM 1156 CB TRP A 73 -2.836 -6.187 -6.521 1.00 0.00 C ATOM 1157 CG TRP A 73 -4.120 -6.666 -5.842 1.00 0.00 C ATOM 1158 CD1 TRP A 73 -4.709 -7.866 -5.944 1.00 0.00 C ATOM 1159 CD2 TRP A 73 -4.955 -5.904 -4.945 1.00 0.00 C ATOM 1160 NE1 TRP A 73 -5.858 -7.931 -5.183 1.00 0.00 N ATOM 1161 CE2 TRP A 73 -6.012 -6.700 -4.556 1.00 0.00 C ATOM 1162 CE3 TRP A 73 -4.821 -4.584 -4.479 1.00 0.00 C ATOM 1163 CZ2 TRP A 73 -7.017 -6.268 -3.682 1.00 0.00 C ATOM 1164 CZ3 TRP A 73 -5.834 -4.167 -3.607 1.00 0.00 C ATOM 1165 CH2 TRP A 73 -6.905 -4.956 -3.205 1.00 0.00 C ATOM 0 H TRP A 73 -1.494 -5.531 -9.060 1.00 0.00 H new ATOM 0 HA TRP A 73 -2.397 -7.939 -7.597 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -1.998 -6.343 -5.842 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -2.909 -5.114 -6.697 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -4.332 -8.679 -6.546 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -6.480 -8.735 -5.096 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -4.002 -3.943 -4.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.834 -6.912 -3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -5.779 -3.161 -3.219 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -7.647 -4.559 -2.528 1.00 0.00 H new ATOM 1176 N ASP A 74 -4.395 -7.874 -9.019 1.00 0.00 N ATOM 1177 CA ASP A 74 -5.513 -7.911 -9.946 1.00 0.00 C ATOM 1178 C ASP A 74 -4.989 -7.768 -11.377 1.00 0.00 C ATOM 1179 O ASP A 74 -3.919 -7.203 -11.596 1.00 0.00 O ATOM 1180 CB ASP A 74 -6.486 -6.759 -9.682 1.00 0.00 C ATOM 1181 CG ASP A 74 -6.941 -6.618 -8.229 1.00 0.00 C ATOM 1182 OD1 ASP A 74 -6.815 -7.622 -7.494 1.00 0.00 O ATOM 1183 OD2 ASP A 74 -7.406 -5.510 -7.885 1.00 0.00 O ATOM 0 H ASP A 74 -4.223 -8.749 -8.523 1.00 0.00 H new ATOM 0 HA ASP A 74 -6.032 -8.860 -9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.014 -5.826 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.366 -6.895 -10.311 1.00 0.00 H new ATOM 1188 N THR A 75 -5.767 -8.290 -12.313 1.00 0.00 N ATOM 1189 CA THR A 75 -5.395 -8.228 -13.716 1.00 0.00 C ATOM 1190 C THR A 75 -6.291 -7.238 -14.463 1.00 0.00 C ATOM 1191 O THR A 75 -6.763 -7.529 -15.560 1.00 0.00 O ATOM 1192 CB THR A 75 -5.453 -9.648 -14.284 1.00 0.00 C ATOM 1193 OG1 THR A 75 -6.787 -10.073 -14.021 1.00 0.00 O ATOM 1194 CG2 THR A 75 -4.586 -10.631 -13.494 1.00 0.00 C ATOM 0 H THR A 75 -6.654 -8.758 -12.127 1.00 0.00 H new ATOM 0 HA THR A 75 -4.378 -7.854 -13.839 1.00 0.00 H new ATOM 0 HB THR A 75 -5.131 -9.636 -15.325 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.912 -10.984 -14.359 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.663 -11.623 -13.939 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.547 -10.302 -13.520 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.929 -10.669 -12.460 1.00 0.00 H new ATOM 1202 N ASP A 76 -6.497 -6.088 -13.837 1.00 0.00 N ATOM 1203 CA ASP A 76 -7.328 -5.053 -14.429 1.00 0.00 C ATOM 1204 C ASP A 76 -6.432 -3.965 -15.025 1.00 0.00 C ATOM 1205 O ASP A 76 -6.662 -3.512 -16.145 1.00 0.00 O ATOM 1206 CB ASP A 76 -8.227 -4.401 -13.377 1.00 0.00 C ATOM 1207 CG ASP A 76 -8.975 -3.153 -13.849 1.00 0.00 C ATOM 1208 OD1 ASP A 76 -8.343 -2.074 -13.834 1.00 0.00 O ATOM 1209 OD2 ASP A 76 -10.160 -3.305 -14.215 1.00 0.00 O ATOM 0 H ASP A 76 -6.103 -5.850 -12.927 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.948 -5.516 -15.197 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -8.956 -5.137 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -7.617 -4.136 -12.514 1.00 0.00 H new ATOM 1214 N GLY A 77 -5.431 -3.577 -14.250 1.00 0.00 N ATOM 1215 CA GLY A 77 -4.500 -2.551 -14.687 1.00 0.00 C ATOM 1216 C GLY A 77 -4.200 -1.565 -13.557 1.00 0.00 C ATOM 1217 O GLY A 77 -4.201 -0.353 -13.769 1.00 0.00 O ATOM 0 H GLY A 77 -5.244 -3.955 -13.321 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.574 -3.016 -15.024 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.917 -2.016 -15.540 1.00 0.00 H new ATOM 1221 N TRP A 78 -3.950 -2.120 -12.380 1.00 0.00 N ATOM 1222 CA TRP A 78 -3.649 -1.305 -11.216 1.00 0.00 C ATOM 1223 C TRP A 78 -2.334 -1.805 -10.615 1.00 0.00 C ATOM 1224 O TRP A 78 -2.167 -3.003 -10.389 1.00 0.00 O ATOM 1225 CB TRP A 78 -4.808 -1.325 -10.218 1.00 0.00 C ATOM 1226 CG TRP A 78 -5.903 -0.298 -10.515 1.00 0.00 C ATOM 1227 CD1 TRP A 78 -5.898 0.668 -11.444 1.00 0.00 C ATOM 1228 CD2 TRP A 78 -7.171 -0.172 -9.837 1.00 0.00 C ATOM 1229 NE1 TRP A 78 -7.066 1.403 -11.416 1.00 0.00 N ATOM 1230 CE2 TRP A 78 -7.864 0.876 -10.407 1.00 0.00 C ATOM 1231 CE3 TRP A 78 -7.714 -0.920 -8.778 1.00 0.00 C ATOM 1232 CZ2 TRP A 78 -9.139 1.272 -9.985 1.00 0.00 C ATOM 1233 CZ3 TRP A 78 -8.989 -0.512 -8.367 1.00 0.00 C ATOM 1234 CH2 TRP A 78 -9.700 0.541 -8.930 1.00 0.00 C ATOM 0 H TRP A 78 -3.950 -3.125 -12.208 1.00 0.00 H new ATOM 0 HA TRP A 78 -3.527 -0.260 -11.499 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -5.251 -2.321 -10.211 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -4.416 -1.143 -9.217 1.00 0.00 H new ATOM 0 HD1 TRP A 78 -5.082 0.849 -12.129 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -7.300 2.188 -12.024 1.00 0.00 H new ATOM 0 HE3 TRP A 78 -7.189 -1.744 -8.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -9.661 2.096 -10.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -9.452 -1.054 -7.556 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -10.681 0.795 -8.556 1.00 0.00 H new ATOM 1245 N SER A 79 -1.434 -0.863 -10.373 1.00 0.00 N ATOM 1246 CA SER A 79 -0.139 -1.194 -9.803 1.00 0.00 C ATOM 1247 C SER A 79 0.277 -0.122 -8.794 1.00 0.00 C ATOM 1248 O SER A 79 0.109 1.071 -9.045 1.00 0.00 O ATOM 1249 CB SER A 79 0.923 -1.337 -10.894 1.00 0.00 C ATOM 1250 OG SER A 79 0.364 -1.229 -12.201 1.00 0.00 O ATOM 0 H SER A 79 -1.576 0.129 -10.561 1.00 0.00 H new ATOM 0 HA SER A 79 -0.225 -2.152 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.685 -0.569 -10.761 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.421 -2.301 -10.791 1.00 0.00 H new ATOM 0 HG SER A 79 1.074 -1.324 -12.869 1.00 0.00 H new ATOM 1256 N VAL A 80 0.812 -0.585 -7.674 1.00 0.00 N ATOM 1257 CA VAL A 80 1.253 0.320 -6.626 1.00 0.00 C ATOM 1258 C VAL A 80 2.720 0.034 -6.296 1.00 0.00 C ATOM 1259 O VAL A 80 3.125 -1.124 -6.207 1.00 0.00 O ATOM 1260 CB VAL A 80 0.333 0.201 -5.409 1.00 0.00 C ATOM 1261 CG1 VAL A 80 0.113 -1.265 -5.030 1.00 0.00 C ATOM 1262 CG2 VAL A 80 0.883 0.997 -4.225 1.00 0.00 C ATOM 0 H VAL A 80 0.950 -1.575 -7.469 1.00 0.00 H new ATOM 0 HA VAL A 80 1.190 1.354 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.634 0.627 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -0.544 -1.322 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.345 -1.792 -5.867 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.071 -1.727 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.210 0.895 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.868 0.616 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.964 2.049 -4.500 1.00 0.00 H new ATOM 1272 N THR A 81 3.475 1.109 -6.124 1.00 0.00 N ATOM 1273 CA THR A 81 4.887 0.989 -5.806 1.00 0.00 C ATOM 1274 C THR A 81 5.183 1.618 -4.443 1.00 0.00 C ATOM 1275 O THR A 81 4.663 2.685 -4.122 1.00 0.00 O ATOM 1276 CB THR A 81 5.685 1.617 -6.951 1.00 0.00 C ATOM 1277 OG1 THR A 81 5.063 1.107 -8.127 1.00 0.00 O ATOM 1278 CG2 THR A 81 7.118 1.085 -7.027 1.00 0.00 C ATOM 0 H THR A 81 3.135 2.068 -6.199 1.00 0.00 H new ATOM 0 HA THR A 81 5.184 -0.056 -5.718 1.00 0.00 H new ATOM 0 HB THR A 81 5.706 2.700 -6.828 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.222 0.142 -8.189 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.640 1.563 -7.856 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.638 1.306 -6.095 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.098 0.007 -7.184 1.00 0.00 H new ATOM 1286 N PHE A 82 6.017 0.929 -3.678 1.00 0.00 N ATOM 1287 CA PHE A 82 6.388 1.407 -2.357 1.00 0.00 C ATOM 1288 C PHE A 82 7.811 1.970 -2.357 1.00 0.00 C ATOM 1289 O PHE A 82 8.647 1.554 -3.158 1.00 0.00 O ATOM 1290 CB PHE A 82 6.328 0.204 -1.413 1.00 0.00 C ATOM 1291 CG PHE A 82 4.913 -0.323 -1.166 1.00 0.00 C ATOM 1292 CD1 PHE A 82 3.881 0.548 -1.007 1.00 0.00 C ATOM 1293 CD2 PHE A 82 4.688 -1.663 -1.105 1.00 0.00 C ATOM 1294 CE1 PHE A 82 2.568 0.059 -0.779 1.00 0.00 C ATOM 1295 CE2 PHE A 82 3.375 -2.152 -0.876 1.00 0.00 C ATOM 1296 CZ PHE A 82 2.342 -1.281 -0.718 1.00 0.00 C ATOM 0 H PHE A 82 6.446 0.044 -3.948 1.00 0.00 H new ATOM 0 HA PHE A 82 5.711 2.203 -2.046 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.937 -0.600 -1.826 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.773 0.482 -0.458 1.00 0.00 H new ATOM 0 HD1 PHE A 82 4.060 1.612 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.508 -2.355 -1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.748 0.751 -0.654 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.196 -3.216 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.343 -1.653 -0.544 1.00 0.00 H new ATOM 1306 N HIS A 83 8.042 2.907 -1.449 1.00 0.00 N ATOM 1307 CA HIS A 83 9.350 3.531 -1.335 1.00 0.00 C ATOM 1308 C HIS A 83 9.663 3.798 0.139 1.00 0.00 C ATOM 1309 O HIS A 83 8.940 4.535 0.808 1.00 0.00 O ATOM 1310 CB HIS A 83 9.426 4.793 -2.195 1.00 0.00 C ATOM 1311 CG HIS A 83 9.442 4.524 -3.681 1.00 0.00 C ATOM 1312 ND1 HIS A 83 10.613 4.423 -4.412 1.00 0.00 N ATOM 1313 CD2 HIS A 83 8.420 4.334 -4.563 1.00 0.00 C ATOM 1314 CE1 HIS A 83 10.297 4.184 -5.677 1.00 0.00 C ATOM 1315 NE2 HIS A 83 8.937 4.130 -5.768 1.00 0.00 N ATOM 0 H HIS A 83 7.346 3.249 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 83 10.115 2.855 -1.717 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.574 5.432 -1.961 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.324 5.349 -1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.367 4.347 -4.322 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.994 4.055 -6.492 1.00 0.00 H new ATOM 0 HE2 HIS A 83 8.405 3.961 -6.622 1.00 0.00 H new ATOM 1323 N LEU A 84 10.743 3.185 0.602 1.00 0.00 N ATOM 1324 CA LEU A 84 11.161 3.347 1.984 1.00 0.00 C ATOM 1325 C LEU A 84 12.491 4.103 2.024 1.00 0.00 C ATOM 1326 O LEU A 84 13.251 4.080 1.058 1.00 0.00 O ATOM 1327 CB LEU A 84 11.202 1.993 2.694 1.00 0.00 C ATOM 1328 CG LEU A 84 9.845 1.376 3.040 1.00 0.00 C ATOM 1329 CD1 LEU A 84 9.519 0.208 2.106 1.00 0.00 C ATOM 1330 CD2 LEU A 84 9.789 0.965 4.512 1.00 0.00 C ATOM 0 H LEU A 84 11.341 2.575 0.044 1.00 0.00 H new ATOM 0 HA LEU A 84 10.436 3.947 2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.748 1.291 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.773 2.105 3.615 1.00 0.00 H new ATOM 0 HG LEU A 84 9.077 2.134 2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.550 -0.212 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.489 0.563 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 84 10.286 -0.560 2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.814 0.530 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.568 0.230 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.944 1.842 5.141 1.00 0.00 H new ATOM 1342 N LYS A 85 12.730 4.755 3.152 1.00 0.00 N ATOM 1343 CA LYS A 85 13.955 5.516 3.331 1.00 0.00 C ATOM 1344 C LYS A 85 14.034 6.015 4.776 1.00 0.00 C ATOM 1345 O LYS A 85 13.231 6.849 5.192 1.00 0.00 O ATOM 1346 CB LYS A 85 14.050 6.632 2.289 1.00 0.00 C ATOM 1347 CG LYS A 85 12.766 7.464 2.259 1.00 0.00 C ATOM 1348 CD LYS A 85 12.418 7.883 0.829 1.00 0.00 C ATOM 1349 CE LYS A 85 12.923 9.297 0.534 1.00 0.00 C ATOM 1350 NZ LYS A 85 12.727 9.629 -0.895 1.00 0.00 N ATOM 0 H LYS A 85 12.096 4.772 3.951 1.00 0.00 H new ATOM 0 HA LYS A 85 14.825 4.881 3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 85 14.900 7.276 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.231 6.201 1.304 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.944 6.887 2.683 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.888 8.350 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.860 7.180 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.338 7.841 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.392 10.017 1.157 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.980 9.373 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.075 10.592 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.253 8.952 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.715 9.576 -1.128 1.00 0.00 H new ATOM 1364 N GLU A 86 15.008 5.484 5.499 1.00 0.00 N ATOM 1365 CA GLU A 86 15.202 5.865 6.888 1.00 0.00 C ATOM 1366 C GLU A 86 15.643 7.327 6.980 1.00 0.00 C ATOM 1367 O GLU A 86 16.467 7.782 6.189 1.00 0.00 O ATOM 1368 CB GLU A 86 16.212 4.943 7.574 1.00 0.00 C ATOM 1369 CG GLU A 86 15.973 4.896 9.084 1.00 0.00 C ATOM 1370 CD GLU A 86 17.019 5.726 9.831 1.00 0.00 C ATOM 1371 OE1 GLU A 86 18.144 5.835 9.297 1.00 0.00 O ATOM 1372 OE2 GLU A 86 16.671 6.231 10.920 1.00 0.00 O ATOM 0 H GLU A 86 15.672 4.793 5.150 1.00 0.00 H new ATOM 0 HA GLU A 86 14.251 5.759 7.410 1.00 0.00 H new ATOM 0 HB2 GLU A 86 16.134 3.938 7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.225 5.293 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 86 14.976 5.273 9.310 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.009 3.863 9.429 1.00 0.00 H new ATOM 1379 N GLU A 87 15.074 8.024 7.954 1.00 0.00 N ATOM 1380 CA GLU A 87 15.398 9.425 8.160 1.00 0.00 C ATOM 1381 C GLU A 87 16.178 9.603 9.464 1.00 0.00 C ATOM 1382 O GLU A 87 16.623 8.625 10.064 1.00 0.00 O ATOM 1383 CB GLU A 87 14.134 10.287 8.155 1.00 0.00 C ATOM 1384 CG GLU A 87 14.270 11.453 7.173 1.00 0.00 C ATOM 1385 CD GLU A 87 14.464 12.776 7.917 1.00 0.00 C ATOM 1386 OE1 GLU A 87 13.439 13.327 8.372 1.00 0.00 O ATOM 1387 OE2 GLU A 87 15.634 13.206 8.014 1.00 0.00 O ATOM 0 H GLU A 87 14.391 7.644 8.609 1.00 0.00 H new ATOM 0 HA GLU A 87 16.028 9.757 7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.274 9.676 7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 87 13.947 10.671 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.117 11.277 6.509 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.380 11.511 6.546 1.00 0.00 H new ATOM 1394 N GLU A 88 16.320 10.858 9.865 1.00 0.00 N ATOM 1395 CA GLU A 88 17.039 11.177 11.087 1.00 0.00 C ATOM 1396 C GLU A 88 16.706 10.158 12.179 1.00 0.00 C ATOM 1397 O GLU A 88 17.549 9.342 12.549 1.00 0.00 O ATOM 1398 CB GLU A 88 16.725 12.600 11.551 1.00 0.00 C ATOM 1399 CG GLU A 88 17.647 13.614 10.871 1.00 0.00 C ATOM 1400 CD GLU A 88 18.306 14.534 11.902 1.00 0.00 C ATOM 1401 OE1 GLU A 88 18.538 14.048 13.030 1.00 0.00 O ATOM 1402 OE2 GLU A 88 18.564 15.701 11.538 1.00 0.00 O ATOM 0 H GLU A 88 15.949 11.666 9.365 1.00 0.00 H new ATOM 0 HA GLU A 88 18.108 11.124 10.882 1.00 0.00 H new ATOM 0 HB2 GLU A 88 15.686 12.839 11.325 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.839 12.667 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 88 18.415 13.089 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 88 17.076 14.210 10.159 1.00 0.00 H new ATOM 1409 N ASN A 89 15.476 10.238 12.664 1.00 0.00 N ATOM 1410 CA ASN A 89 15.021 9.333 13.706 1.00 0.00 C ATOM 1411 C ASN A 89 13.612 8.842 13.370 1.00 0.00 C ATOM 1412 O ASN A 89 12.683 9.026 14.155 1.00 0.00 O ATOM 1413 CB ASN A 89 14.965 10.039 15.062 1.00 0.00 C ATOM 1414 CG ASN A 89 16.317 9.967 15.775 1.00 0.00 C ATOM 1415 OD1 ASN A 89 17.168 9.148 15.466 1.00 0.00 O ATOM 1416 ND2 ASN A 89 16.467 10.866 16.743 1.00 0.00 N ATOM 0 H ASN A 89 14.780 10.916 12.355 1.00 0.00 H new ATOM 0 HA ASN A 89 15.724 8.501 13.761 1.00 0.00 H new ATOM 0 HB2 ASN A 89 14.679 11.081 14.922 1.00 0.00 H new ATOM 0 HB3 ASN A 89 14.197 9.579 15.684 1.00 0.00 H new ATOM 0 HD21 ASN A 89 17.335 10.899 17.278 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.715 11.523 16.950 1.00 0.00 H new ATOM 1423 N GLY A 90 13.497 8.227 12.202 1.00 0.00 N ATOM 1424 CA GLY A 90 12.216 7.707 11.753 1.00 0.00 C ATOM 1425 C GLY A 90 12.327 7.119 10.345 1.00 0.00 C ATOM 1426 O GLY A 90 13.342 7.295 9.672 1.00 0.00 O ATOM 0 H GLY A 90 14.269 8.077 11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.868 6.940 12.445 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.473 8.504 11.761 1.00 0.00 H new ATOM 1430 N THR A 91 11.269 6.431 9.941 1.00 0.00 N ATOM 1431 CA THR A 91 11.235 5.815 8.625 1.00 0.00 C ATOM 1432 C THR A 91 10.239 6.544 7.721 1.00 0.00 C ATOM 1433 O THR A 91 9.112 6.823 8.130 1.00 0.00 O ATOM 1434 CB THR A 91 10.917 4.330 8.807 1.00 0.00 C ATOM 1435 OG1 THR A 91 12.022 3.826 9.552 1.00 0.00 O ATOM 1436 CG2 THR A 91 10.971 3.554 7.489 1.00 0.00 C ATOM 0 H THR A 91 10.429 6.287 10.502 1.00 0.00 H new ATOM 0 HA THR A 91 12.200 5.896 8.124 1.00 0.00 H new ATOM 0 HB THR A 91 9.927 4.223 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 91 11.781 3.775 10.501 1.00 0.00 H new ATOM 0 HG21 THR A 91 10.738 2.506 7.674 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.244 3.970 6.792 1.00 0.00 H new ATOM 0 HG23 THR A 91 11.970 3.633 7.061 1.00 0.00 H new ATOM 1444 N ILE A 92 10.690 6.832 6.509 1.00 0.00 N ATOM 1445 CA ILE A 92 9.852 7.523 5.544 1.00 0.00 C ATOM 1446 C ILE A 92 9.212 6.499 4.605 1.00 0.00 C ATOM 1447 O ILE A 92 9.913 5.740 3.936 1.00 0.00 O ATOM 1448 CB ILE A 92 10.652 8.606 4.818 1.00 0.00 C ATOM 1449 CG1 ILE A 92 11.286 9.580 5.814 1.00 0.00 C ATOM 1450 CG2 ILE A 92 9.786 9.327 3.783 1.00 0.00 C ATOM 1451 CD1 ILE A 92 10.244 10.110 6.800 1.00 0.00 C ATOM 0 H ILE A 92 11.625 6.599 6.173 1.00 0.00 H new ATOM 0 HA ILE A 92 9.039 8.044 6.050 1.00 0.00 H new ATOM 0 HB ILE A 92 11.466 8.124 4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 92 12.086 9.079 6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.739 10.412 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.379 10.092 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.424 8.609 3.048 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.937 9.795 4.281 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.720 10.800 7.497 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.458 10.631 6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 92 9.810 9.277 7.353 1.00 0.00 H new ATOM 1463 N PHE A 93 7.887 6.509 4.585 1.00 0.00 N ATOM 1464 CA PHE A 93 7.144 5.590 3.739 1.00 0.00 C ATOM 1465 C PHE A 93 6.334 6.347 2.685 1.00 0.00 C ATOM 1466 O PHE A 93 5.502 7.188 3.023 1.00 0.00 O ATOM 1467 CB PHE A 93 6.184 4.821 4.648 1.00 0.00 C ATOM 1468 CG PHE A 93 5.475 3.653 3.960 1.00 0.00 C ATOM 1469 CD1 PHE A 93 4.371 3.881 3.199 1.00 0.00 C ATOM 1470 CD2 PHE A 93 5.949 2.387 4.109 1.00 0.00 C ATOM 1471 CE1 PHE A 93 3.713 2.797 2.561 1.00 0.00 C ATOM 1472 CE2 PHE A 93 5.291 1.303 3.470 1.00 0.00 C ATOM 1473 CZ PHE A 93 4.187 1.531 2.709 1.00 0.00 C ATOM 0 H PHE A 93 7.309 7.139 5.141 1.00 0.00 H new ATOM 0 HA PHE A 93 7.833 4.924 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.739 4.441 5.506 1.00 0.00 H new ATOM 0 HB3 PHE A 93 5.434 5.511 5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 93 3.995 4.886 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.826 2.206 4.713 1.00 0.00 H new ATOM 0 HE1 PHE A 93 2.836 2.978 1.958 1.00 0.00 H new ATOM 0 HE2 PHE A 93 5.667 0.298 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.687 0.707 2.222 1.00 0.00 H new ATOM 1483 N THR A 94 6.605 6.022 1.430 1.00 0.00 N ATOM 1484 CA THR A 94 5.911 6.661 0.325 1.00 0.00 C ATOM 1485 C THR A 94 5.263 5.610 -0.578 1.00 0.00 C ATOM 1486 O THR A 94 5.890 4.608 -0.919 1.00 0.00 O ATOM 1487 CB THR A 94 6.913 7.557 -0.408 1.00 0.00 C ATOM 1488 OG1 THR A 94 7.256 8.552 0.553 1.00 0.00 O ATOM 1489 CG2 THR A 94 6.268 8.347 -1.548 1.00 0.00 C ATOM 0 H THR A 94 7.296 5.324 1.154 1.00 0.00 H new ATOM 0 HA THR A 94 5.093 7.287 0.681 1.00 0.00 H new ATOM 0 HB THR A 94 7.724 6.946 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.904 9.175 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.022 8.966 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.843 7.655 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.479 8.984 -1.148 1.00 0.00 H new ATOM 1497 N ILE A 95 4.016 5.874 -0.940 1.00 0.00 N ATOM 1498 CA ILE A 95 3.276 4.963 -1.797 1.00 0.00 C ATOM 1499 C ILE A 95 2.937 5.669 -3.111 1.00 0.00 C ATOM 1500 O ILE A 95 2.714 6.878 -3.131 1.00 0.00 O ATOM 1501 CB ILE A 95 2.054 4.411 -1.061 1.00 0.00 C ATOM 1502 CG1 ILE A 95 1.063 3.781 -2.042 1.00 0.00 C ATOM 1503 CG2 ILE A 95 1.398 5.491 -0.199 1.00 0.00 C ATOM 1504 CD1 ILE A 95 0.048 4.814 -2.537 1.00 0.00 C ATOM 0 H ILE A 95 3.499 6.706 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 95 3.886 4.096 -2.050 1.00 0.00 H new ATOM 0 HB ILE A 95 2.388 3.622 -0.388 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.603 3.361 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.541 2.956 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.532 5.072 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.115 5.854 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 95 1.079 6.319 -0.833 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.644 4.340 -3.233 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.507 5.214 -1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 95 0.572 5.625 -3.043 1.00 0.00 H new ATOM 1516 N VAL A 96 2.908 4.883 -4.177 1.00 0.00 N ATOM 1517 CA VAL A 96 2.600 5.417 -5.493 1.00 0.00 C ATOM 1518 C VAL A 96 1.634 4.470 -6.209 1.00 0.00 C ATOM 1519 O VAL A 96 2.031 3.397 -6.659 1.00 0.00 O ATOM 1520 CB VAL A 96 3.892 5.657 -6.276 1.00 0.00 C ATOM 1521 CG1 VAL A 96 3.594 6.242 -7.659 1.00 0.00 C ATOM 1522 CG2 VAL A 96 4.847 6.560 -5.493 1.00 0.00 C ATOM 0 H VAL A 96 3.093 3.880 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 96 2.104 6.384 -5.407 1.00 0.00 H new ATOM 0 HB VAL A 96 4.382 4.694 -6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.529 6.403 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.969 5.548 -8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.071 7.192 -7.547 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.758 6.715 -6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.368 7.521 -5.306 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.097 6.088 -4.543 1.00 0.00 H new ATOM 1532 N HIS A 97 0.384 4.903 -6.292 1.00 0.00 N ATOM 1533 CA HIS A 97 -0.641 4.107 -6.946 1.00 0.00 C ATOM 1534 C HIS A 97 -1.139 4.838 -8.194 1.00 0.00 C ATOM 1535 O HIS A 97 -1.606 5.973 -8.108 1.00 0.00 O ATOM 1536 CB HIS A 97 -1.768 3.765 -5.969 1.00 0.00 C ATOM 1537 CG HIS A 97 -2.820 2.847 -6.543 1.00 0.00 C ATOM 1538 ND1 HIS A 97 -4.175 3.037 -6.336 1.00 0.00 N ATOM 1539 CD2 HIS A 97 -2.702 1.732 -7.320 1.00 0.00 C ATOM 1540 CE1 HIS A 97 -4.834 2.074 -6.963 1.00 0.00 C ATOM 1541 NE2 HIS A 97 -3.919 1.265 -7.572 1.00 0.00 N ATOM 0 H HIS A 97 0.058 5.794 -5.917 1.00 0.00 H new ATOM 0 HA HIS A 97 -0.218 3.156 -7.269 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.338 3.299 -5.083 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -2.245 4.689 -5.643 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -4.595 3.791 -5.793 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.775 1.302 -7.671 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.907 1.951 -6.988 1.00 0.00 H new ATOM 1549 N SER A 98 -1.024 4.158 -9.325 1.00 0.00 N ATOM 1550 CA SER A 98 -1.457 4.729 -10.589 1.00 0.00 C ATOM 1551 C SER A 98 -2.284 3.705 -11.369 1.00 0.00 C ATOM 1552 O SER A 98 -2.367 2.541 -10.979 1.00 0.00 O ATOM 1553 CB SER A 98 -0.260 5.190 -11.423 1.00 0.00 C ATOM 1554 OG SER A 98 0.603 6.053 -10.688 1.00 0.00 O ATOM 0 H SER A 98 -0.637 3.217 -9.393 1.00 0.00 H new ATOM 0 HA SER A 98 -2.076 5.601 -10.377 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.302 4.320 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.617 5.707 -12.314 1.00 0.00 H new ATOM 0 HG SER A 98 1.355 6.324 -11.255 1.00 0.00 H new ATOM 1560 N GLY A 99 -2.876 4.176 -12.456 1.00 0.00 N ATOM 1561 CA GLY A 99 -3.695 3.316 -13.294 1.00 0.00 C ATOM 1562 C GLY A 99 -5.136 3.825 -13.360 1.00 0.00 C ATOM 1563 O GLY A 99 -6.080 3.040 -13.281 1.00 0.00 O ATOM 0 H GLY A 99 -2.805 5.142 -12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.274 3.274 -14.299 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.682 2.300 -12.900 1.00 0.00 H new ATOM 1567 N TRP A 100 -5.260 5.136 -13.505 1.00 0.00 N ATOM 1568 CA TRP A 100 -6.571 5.760 -13.583 1.00 0.00 C ATOM 1569 C TRP A 100 -6.660 6.508 -14.914 1.00 0.00 C ATOM 1570 O TRP A 100 -5.704 6.523 -15.687 1.00 0.00 O ATOM 1571 CB TRP A 100 -6.821 6.661 -12.372 1.00 0.00 C ATOM 1572 CG TRP A 100 -6.463 6.017 -11.032 1.00 0.00 C ATOM 1573 CD1 TRP A 100 -5.254 5.640 -10.594 1.00 0.00 C ATOM 1574 CD2 TRP A 100 -7.378 5.687 -9.965 1.00 0.00 C ATOM 1575 NE1 TRP A 100 -5.321 5.094 -9.329 1.00 0.00 N ATOM 1576 CE2 TRP A 100 -6.654 5.123 -8.934 1.00 0.00 C ATOM 1577 CE3 TRP A 100 -8.770 5.859 -9.874 1.00 0.00 C ATOM 1578 CZ2 TRP A 100 -7.236 4.686 -7.738 1.00 0.00 C ATOM 1579 CZ3 TRP A 100 -9.337 5.416 -8.673 1.00 0.00 C ATOM 1580 CH2 TRP A 100 -8.622 4.847 -7.625 1.00 0.00 C ATOM 0 H TRP A 100 -4.475 5.784 -13.571 1.00 0.00 H new ATOM 0 HA TRP A 100 -7.359 5.008 -13.554 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -6.243 7.578 -12.489 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -7.873 6.947 -12.356 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.341 5.750 -11.161 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -4.537 4.735 -8.784 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -9.356 6.298 -10.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -6.647 4.248 -6.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -10.405 5.524 -8.552 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -9.134 4.531 -6.728 1.00 0.00 H new ATOM 1591 N LYS A 101 -7.818 7.111 -15.141 1.00 0.00 N ATOM 1592 CA LYS A 101 -8.045 7.859 -16.365 1.00 0.00 C ATOM 1593 C LYS A 101 -8.540 9.264 -16.015 1.00 0.00 C ATOM 1594 O LYS A 101 -8.417 9.703 -14.873 1.00 0.00 O ATOM 1595 CB LYS A 101 -8.984 7.091 -17.297 1.00 0.00 C ATOM 1596 CG LYS A 101 -8.534 5.637 -17.451 1.00 0.00 C ATOM 1597 CD LYS A 101 -9.531 4.841 -18.297 1.00 0.00 C ATOM 1598 CE LYS A 101 -8.860 4.281 -19.553 1.00 0.00 C ATOM 1599 NZ LYS A 101 -9.076 2.820 -19.649 1.00 0.00 N ATOM 0 H LYS A 101 -8.609 7.096 -14.497 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.113 7.977 -16.917 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.999 7.121 -16.902 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -9.008 7.574 -18.274 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.549 5.605 -17.917 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.437 5.177 -16.468 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.944 4.024 -17.706 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.365 5.482 -18.581 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.263 4.773 -20.438 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.792 4.496 -19.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.614 2.456 -20.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.670 2.353 -18.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.096 2.622 -19.695 1.00 0.00 H new ATOM 1613 N GLN A 102 -9.089 9.931 -17.020 1.00 0.00 N ATOM 1614 CA GLN A 102 -9.603 11.277 -16.832 1.00 0.00 C ATOM 1615 C GLN A 102 -10.610 11.305 -15.681 1.00 0.00 C ATOM 1616 O GLN A 102 -11.442 10.407 -15.557 1.00 0.00 O ATOM 1617 CB GLN A 102 -10.230 11.809 -18.122 1.00 0.00 C ATOM 1618 CG GLN A 102 -10.907 13.161 -17.886 1.00 0.00 C ATOM 1619 CD GLN A 102 -11.800 13.541 -19.069 1.00 0.00 C ATOM 1620 OE1 GLN A 102 -11.395 14.234 -19.988 1.00 0.00 O ATOM 1621 NE2 GLN A 102 -13.034 13.050 -18.995 1.00 0.00 N ATOM 0 H GLN A 102 -9.189 9.564 -17.967 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.769 11.931 -16.575 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -9.462 11.912 -18.888 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.961 11.093 -18.497 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -11.503 13.119 -16.974 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.149 13.930 -17.736 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.308 12.477 -18.197 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.707 13.247 -19.736 1.00 0.00 H new ATOM 1630 N GLY A 103 -10.502 12.345 -14.867 1.00 0.00 N ATOM 1631 CA GLY A 103 -11.393 12.502 -13.730 1.00 0.00 C ATOM 1632 C GLY A 103 -12.814 12.834 -14.189 1.00 0.00 C ATOM 1633 O GLY A 103 -13.222 13.995 -14.167 1.00 0.00 O ATOM 0 H GLY A 103 -9.811 13.087 -14.972 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -11.402 11.585 -13.141 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -11.023 13.294 -13.080 1.00 0.00 H new ATOM 1637 N ASP A 104 -13.530 11.795 -14.593 1.00 0.00 N ATOM 1638 CA ASP A 104 -14.896 11.962 -15.056 1.00 0.00 C ATOM 1639 C ASP A 104 -15.459 10.602 -15.475 1.00 0.00 C ATOM 1640 O ASP A 104 -16.598 10.271 -15.151 1.00 0.00 O ATOM 1641 CB ASP A 104 -14.957 12.892 -16.270 1.00 0.00 C ATOM 1642 CG ASP A 104 -16.162 13.835 -16.302 1.00 0.00 C ATOM 1643 OD1 ASP A 104 -16.301 14.612 -15.333 1.00 0.00 O ATOM 1644 OD2 ASP A 104 -16.916 13.757 -17.296 1.00 0.00 O ATOM 0 H ASP A 104 -13.189 10.834 -14.609 1.00 0.00 H new ATOM 0 HA ASP A 104 -15.477 12.394 -14.241 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.046 13.490 -16.297 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.966 12.284 -17.175 1.00 0.00 H new ATOM 1649 N THR A 105 -14.633 9.851 -16.188 1.00 0.00 N ATOM 1650 CA THR A 105 -15.034 8.534 -16.655 1.00 0.00 C ATOM 1651 C THR A 105 -15.604 7.710 -15.499 1.00 0.00 C ATOM 1652 O THR A 105 -15.478 8.093 -14.337 1.00 0.00 O ATOM 1653 CB THR A 105 -13.824 7.882 -17.326 1.00 0.00 C ATOM 1654 OG1 THR A 105 -12.785 7.996 -16.357 1.00 0.00 O ATOM 1655 CG2 THR A 105 -13.310 8.690 -18.520 1.00 0.00 C ATOM 0 H THR A 105 -13.688 10.129 -16.454 1.00 0.00 H new ATOM 0 HA THR A 105 -15.835 8.602 -17.391 1.00 0.00 H new ATOM 0 HB THR A 105 -14.090 6.877 -17.655 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.163 7.245 -16.454 1.00 0.00 H new ATOM 0 HG21 THR A 105 -12.451 8.183 -18.960 1.00 0.00 H new ATOM 0 HG22 THR A 105 -14.100 8.779 -19.266 1.00 0.00 H new ATOM 0 HG23 THR A 105 -13.013 9.684 -18.186 1.00 0.00 H new ATOM 1663 N LYS A 106 -16.219 6.593 -15.858 1.00 0.00 N ATOM 1664 CA LYS A 106 -16.809 5.711 -14.865 1.00 0.00 C ATOM 1665 C LYS A 106 -16.158 4.330 -14.964 1.00 0.00 C ATOM 1666 O LYS A 106 -15.698 3.932 -16.033 1.00 0.00 O ATOM 1667 CB LYS A 106 -18.332 5.685 -15.010 1.00 0.00 C ATOM 1668 CG LYS A 106 -18.957 4.669 -14.051 1.00 0.00 C ATOM 1669 CD LYS A 106 -20.423 5.007 -13.772 1.00 0.00 C ATOM 1670 CE LYS A 106 -21.357 4.057 -14.525 1.00 0.00 C ATOM 1671 NZ LYS A 106 -21.883 4.708 -15.746 1.00 0.00 N ATOM 0 H LYS A 106 -16.322 6.278 -16.823 1.00 0.00 H new ATOM 0 HA LYS A 106 -16.614 6.084 -13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -18.737 6.677 -14.809 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -18.599 5.434 -16.036 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -18.886 3.669 -14.478 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -18.399 4.656 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -20.618 4.942 -12.702 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -20.626 6.035 -14.071 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -20.821 3.147 -14.793 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.183 3.761 -13.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -22.515 4.050 -16.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -22.412 5.564 -15.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -21.092 4.968 -16.369 1.00 0.00 H new ATOM 1685 N VAL A 107 -16.141 3.636 -13.836 1.00 0.00 N ATOM 1686 CA VAL A 107 -15.555 2.308 -13.782 1.00 0.00 C ATOM 1687 C VAL A 107 -16.671 1.262 -13.789 1.00 0.00 C ATOM 1688 O VAL A 107 -17.250 0.960 -12.747 1.00 0.00 O ATOM 1689 CB VAL A 107 -14.633 2.192 -12.566 1.00 0.00 C ATOM 1690 CG1 VAL A 107 -13.823 0.895 -12.614 1.00 0.00 C ATOM 1691 CG2 VAL A 107 -13.713 3.409 -12.457 1.00 0.00 C ATOM 0 H VAL A 107 -16.524 3.969 -12.951 1.00 0.00 H new ATOM 0 HA VAL A 107 -14.936 2.128 -14.661 1.00 0.00 H new ATOM 0 HB VAL A 107 -15.258 2.164 -11.673 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -13.176 0.837 -11.739 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -14.502 0.042 -12.620 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -13.213 0.880 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -13.069 3.301 -11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -13.099 3.483 -13.355 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -14.315 4.312 -12.354 1.00 0.00 H new ATOM 1701 N GLU A 108 -16.939 0.737 -14.976 1.00 0.00 N ATOM 1702 CA GLU A 108 -17.975 -0.269 -15.132 1.00 0.00 C ATOM 1703 C GLU A 108 -17.807 -1.371 -14.084 1.00 0.00 C ATOM 1704 O GLU A 108 -18.774 -2.040 -13.721 1.00 0.00 O ATOM 1705 CB GLU A 108 -17.965 -0.852 -16.547 1.00 0.00 C ATOM 1706 CG GLU A 108 -16.580 -1.395 -16.906 1.00 0.00 C ATOM 1707 CD GLU A 108 -16.450 -1.610 -18.415 1.00 0.00 C ATOM 1708 OE1 GLU A 108 -17.379 -2.223 -18.983 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -15.424 -1.156 -18.966 1.00 0.00 O ATOM 0 H GLU A 108 -16.456 0.990 -15.838 1.00 0.00 H new ATOM 0 HA GLU A 108 -18.943 0.208 -14.978 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -18.703 -1.651 -16.620 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -18.255 -0.083 -17.263 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -15.813 -0.698 -16.567 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -16.408 -2.337 -16.385 1.00 0.00 H new ATOM 1716 N LYS A 109 -16.574 -1.526 -13.627 1.00 0.00 N ATOM 1717 CA LYS A 109 -16.267 -2.535 -12.627 1.00 0.00 C ATOM 1718 C LYS A 109 -16.206 -1.878 -11.247 1.00 0.00 C ATOM 1719 O LYS A 109 -15.289 -2.141 -10.470 1.00 0.00 O ATOM 1720 CB LYS A 109 -14.992 -3.293 -13.005 1.00 0.00 C ATOM 1721 CG LYS A 109 -14.833 -4.556 -12.156 1.00 0.00 C ATOM 1722 CD LYS A 109 -14.378 -5.739 -13.013 1.00 0.00 C ATOM 1723 CE LYS A 109 -15.542 -6.692 -13.293 1.00 0.00 C ATOM 1724 NZ LYS A 109 -15.515 -7.143 -14.703 1.00 0.00 N ATOM 0 H LYS A 109 -15.775 -0.970 -13.931 1.00 0.00 H new ATOM 0 HA LYS A 109 -17.057 -3.285 -12.588 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -15.024 -3.562 -14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.126 -2.646 -12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -14.107 -4.376 -11.363 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -15.780 -4.795 -11.673 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.967 -5.374 -13.954 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.578 -6.276 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.482 -7.554 -12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.488 -6.192 -13.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.311 -7.789 -14.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.594 -6.319 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.620 -7.638 -14.892 1.00 0.00 H new ATOM 1738 N ALA A 110 -17.195 -1.037 -10.983 1.00 0.00 N ATOM 1739 CA ALA A 110 -17.266 -0.340 -9.710 1.00 0.00 C ATOM 1740 C ALA A 110 -18.697 0.150 -9.481 1.00 0.00 C ATOM 1741 O ALA A 110 -19.398 -0.357 -8.607 1.00 0.00 O ATOM 1742 CB ALA A 110 -16.248 0.802 -9.696 1.00 0.00 C ATOM 0 H ALA A 110 -17.954 -0.822 -11.629 1.00 0.00 H new ATOM 0 HA ALA A 110 -17.013 -1.012 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.301 1.325 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.245 0.397 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -16.471 1.499 -10.504 1.00 0.00 H new ATOM 1748 N GLY A 111 -19.087 1.132 -10.281 1.00 0.00 N ATOM 1749 CA GLY A 111 -20.422 1.697 -10.177 1.00 0.00 C ATOM 1750 C GLY A 111 -20.361 3.208 -9.950 1.00 0.00 C ATOM 1751 O GLY A 111 -21.259 3.939 -10.365 1.00 0.00 O ATOM 0 H GLY A 111 -18.502 1.551 -11.004 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -20.983 1.485 -11.087 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -20.958 1.223 -9.355 1.00 0.00 H new ATOM 1755 N ALA A 112 -19.293 3.633 -9.291 1.00 0.00 N ATOM 1756 CA ALA A 112 -19.103 5.045 -9.004 1.00 0.00 C ATOM 1757 C ALA A 112 -18.053 5.618 -9.958 1.00 0.00 C ATOM 1758 O ALA A 112 -17.202 4.887 -10.463 1.00 0.00 O ATOM 1759 CB ALA A 112 -18.713 5.220 -7.535 1.00 0.00 C ATOM 0 H ALA A 112 -18.550 3.024 -8.947 1.00 0.00 H new ATOM 0 HA ALA A 112 -20.029 5.597 -9.163 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -18.571 6.279 -7.320 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -19.504 4.824 -6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -17.786 4.682 -7.338 1.00 0.00 H new ATOM 1765 N GLU A 113 -18.146 6.922 -10.176 1.00 0.00 N ATOM 1766 CA GLU A 113 -17.215 7.602 -11.060 1.00 0.00 C ATOM 1767 C GLU A 113 -15.776 7.378 -10.588 1.00 0.00 C ATOM 1768 O GLU A 113 -15.535 7.162 -9.402 1.00 0.00 O ATOM 1769 CB GLU A 113 -17.536 9.095 -11.152 1.00 0.00 C ATOM 1770 CG GLU A 113 -18.835 9.329 -11.926 1.00 0.00 C ATOM 1771 CD GLU A 113 -19.029 10.815 -12.234 1.00 0.00 C ATOM 1772 OE1 GLU A 113 -19.466 11.534 -11.310 1.00 0.00 O ATOM 1773 OE2 GLU A 113 -18.736 11.198 -13.387 1.00 0.00 O ATOM 0 H GLU A 113 -18.852 7.526 -9.755 1.00 0.00 H new ATOM 0 HA GLU A 113 -17.319 7.180 -12.060 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -17.625 9.514 -10.150 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.716 9.617 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.816 8.761 -12.856 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.680 8.961 -11.345 1.00 0.00 H new ATOM 1780 N SER A 114 -14.859 7.439 -11.542 1.00 0.00 N ATOM 1781 CA SER A 114 -13.451 7.246 -11.239 1.00 0.00 C ATOM 1782 C SER A 114 -12.980 8.306 -10.241 1.00 0.00 C ATOM 1783 O SER A 114 -12.024 8.085 -9.500 1.00 0.00 O ATOM 1784 CB SER A 114 -12.602 7.300 -12.511 1.00 0.00 C ATOM 1785 OG SER A 114 -12.274 5.999 -12.990 1.00 0.00 O ATOM 0 H SER A 114 -15.063 7.619 -12.525 1.00 0.00 H new ATOM 0 HA SER A 114 -13.329 6.258 -10.794 1.00 0.00 H new ATOM 0 HB2 SER A 114 -13.143 7.845 -13.285 1.00 0.00 H new ATOM 0 HB3 SER A 114 -11.685 7.855 -12.311 1.00 0.00 H new ATOM 0 HG SER A 114 -11.733 6.077 -13.804 1.00 0.00 H new ATOM 1791 N ALA A 115 -13.674 9.435 -10.254 1.00 0.00 N ATOM 1792 CA ALA A 115 -13.340 10.529 -9.359 1.00 0.00 C ATOM 1793 C ALA A 115 -13.770 10.169 -7.936 1.00 0.00 C ATOM 1794 O ALA A 115 -13.051 10.446 -6.977 1.00 0.00 O ATOM 1795 CB ALA A 115 -13.998 11.817 -9.859 1.00 0.00 C ATOM 0 H ALA A 115 -14.466 9.615 -10.871 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.263 10.697 -9.345 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -13.747 12.638 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.636 12.045 -10.862 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.080 11.687 -9.885 1.00 0.00 H new ATOM 1801 N VAL A 116 -14.941 9.557 -7.843 1.00 0.00 N ATOM 1802 CA VAL A 116 -15.476 9.156 -6.553 1.00 0.00 C ATOM 1803 C VAL A 116 -14.581 8.072 -5.949 1.00 0.00 C ATOM 1804 O VAL A 116 -14.269 8.111 -4.760 1.00 0.00 O ATOM 1805 CB VAL A 116 -16.932 8.711 -6.706 1.00 0.00 C ATOM 1806 CG1 VAL A 116 -17.455 8.092 -5.408 1.00 0.00 C ATOM 1807 CG2 VAL A 116 -17.817 9.877 -7.153 1.00 0.00 C ATOM 0 H VAL A 116 -15.535 9.329 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 116 -15.478 9.999 -5.862 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.969 7.945 -7.481 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.492 7.784 -5.544 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.849 7.223 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -17.397 8.827 -4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.847 9.534 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -17.771 10.674 -6.411 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.464 10.254 -8.113 1.00 0.00 H new ATOM 1817 N VAL A 117 -14.192 7.131 -6.797 1.00 0.00 N ATOM 1818 CA VAL A 117 -13.338 6.038 -6.362 1.00 0.00 C ATOM 1819 C VAL A 117 -11.941 6.580 -6.052 1.00 0.00 C ATOM 1820 O VAL A 117 -11.284 6.117 -5.122 1.00 0.00 O ATOM 1821 CB VAL A 117 -13.329 4.929 -7.416 1.00 0.00 C ATOM 1822 CG1 VAL A 117 -12.230 3.905 -7.125 1.00 0.00 C ATOM 1823 CG2 VAL A 117 -14.698 4.252 -7.511 1.00 0.00 C ATOM 0 H VAL A 117 -14.452 7.103 -7.783 1.00 0.00 H new ATOM 0 HA VAL A 117 -13.725 5.593 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.114 5.386 -8.382 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.245 3.128 -7.889 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -11.259 4.401 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.401 3.456 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -14.664 3.468 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.956 3.815 -6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -15.451 4.990 -7.787 1.00 0.00 H new ATOM 1833 N HIS A 118 -11.529 7.555 -6.850 1.00 0.00 N ATOM 1834 CA HIS A 118 -10.223 8.165 -6.673 1.00 0.00 C ATOM 1835 C HIS A 118 -10.097 8.703 -5.246 1.00 0.00 C ATOM 1836 O HIS A 118 -9.143 8.381 -4.540 1.00 0.00 O ATOM 1837 CB HIS A 118 -9.975 9.237 -7.736 1.00 0.00 C ATOM 1838 CG HIS A 118 -9.186 10.424 -7.238 1.00 0.00 C ATOM 1839 ND1 HIS A 118 -7.833 10.360 -6.955 1.00 0.00 N ATOM 1840 CD2 HIS A 118 -9.573 11.706 -6.976 1.00 0.00 C ATOM 1841 CE1 HIS A 118 -7.434 11.554 -6.542 1.00 0.00 C ATOM 1842 NE2 HIS A 118 -8.514 12.387 -6.556 1.00 0.00 N ATOM 0 H HIS A 118 -12.077 7.937 -7.621 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.445 7.414 -6.811 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -9.444 8.787 -8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -10.935 9.586 -8.117 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.572 12.100 -7.091 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -6.430 11.821 -6.246 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -8.509 13.371 -6.288 1.00 0.00 H new ATOM 1850 N GLU A 119 -11.073 9.514 -4.866 1.00 0.00 N ATOM 1851 CA GLU A 119 -11.084 10.100 -3.536 1.00 0.00 C ATOM 1852 C GLU A 119 -11.241 9.008 -2.476 1.00 0.00 C ATOM 1853 O GLU A 119 -10.558 9.028 -1.453 1.00 0.00 O ATOM 1854 CB GLU A 119 -12.188 11.151 -3.409 1.00 0.00 C ATOM 1855 CG GLU A 119 -11.653 12.549 -3.725 1.00 0.00 C ATOM 1856 CD GLU A 119 -12.371 13.612 -2.890 1.00 0.00 C ATOM 1857 OE1 GLU A 119 -11.989 13.759 -1.709 1.00 0.00 O ATOM 1858 OE2 GLU A 119 -13.284 14.253 -3.452 1.00 0.00 O ATOM 0 H GLU A 119 -11.862 9.779 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.130 10.602 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.006 10.909 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -12.597 11.134 -2.399 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -10.582 12.586 -3.525 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.787 12.763 -4.785 1.00 0.00 H new ATOM 1865 N ARG A 120 -12.145 8.081 -2.757 1.00 0.00 N ATOM 1866 CA ARG A 120 -12.401 6.983 -1.840 1.00 0.00 C ATOM 1867 C ARG A 120 -11.107 6.218 -1.553 1.00 0.00 C ATOM 1868 O ARG A 120 -10.628 6.205 -0.421 1.00 0.00 O ATOM 1869 CB ARG A 120 -13.440 6.018 -2.413 1.00 0.00 C ATOM 1870 CG ARG A 120 -14.822 6.278 -1.811 1.00 0.00 C ATOM 1871 CD ARG A 120 -15.740 5.069 -2.001 1.00 0.00 C ATOM 1872 NE ARG A 120 -16.916 5.449 -2.815 1.00 0.00 N ATOM 1873 CZ ARG A 120 -17.857 6.316 -2.417 1.00 0.00 C ATOM 1874 NH1 ARG A 120 -17.766 6.898 -1.214 1.00 0.00 N ATOM 1875 NH2 ARG A 120 -18.889 6.601 -3.223 1.00 0.00 N ATOM 0 H ARG A 120 -12.709 8.068 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 120 -12.789 7.408 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -13.485 6.128 -3.496 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -13.138 4.991 -2.209 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -14.724 6.501 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -15.268 7.155 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -15.195 4.261 -2.490 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -16.065 4.693 -1.031 1.00 0.00 H new ATOM 0 HE ARG A 120 -17.017 5.024 -3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -16.980 6.681 -0.601 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -18.482 7.558 -0.911 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -18.958 6.158 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -19.605 7.261 -2.920 1.00 0.00 H new ATOM 1889 N MET A 121 -10.579 5.600 -2.600 1.00 0.00 N ATOM 1890 CA MET A 121 -9.350 4.835 -2.475 1.00 0.00 C ATOM 1891 C MET A 121 -8.218 5.702 -1.920 1.00 0.00 C ATOM 1892 O MET A 121 -7.475 5.271 -1.041 1.00 0.00 O ATOM 1893 CB MET A 121 -8.949 4.286 -3.845 1.00 0.00 C ATOM 1894 CG MET A 121 -9.102 2.765 -3.893 1.00 0.00 C ATOM 1895 SD MET A 121 -7.791 2.050 -4.870 1.00 0.00 S ATOM 1896 CE MET A 121 -8.138 0.315 -4.632 1.00 0.00 C ATOM 0 H MET A 121 -10.980 5.614 -3.538 1.00 0.00 H new ATOM 0 HA MET A 121 -9.525 4.013 -1.781 1.00 0.00 H new ATOM 0 HB2 MET A 121 -9.567 4.742 -4.618 1.00 0.00 H new ATOM 0 HB3 MET A 121 -7.916 4.558 -4.061 1.00 0.00 H new ATOM 0 HG2 MET A 121 -9.078 2.357 -2.883 1.00 0.00 H new ATOM 0 HG3 MET A 121 -10.070 2.502 -4.320 1.00 0.00 H new ATOM 0 HE1 MET A 121 -7.407 -0.281 -5.179 1.00 0.00 H new ATOM 0 HE2 MET A 121 -8.081 0.075 -3.570 1.00 0.00 H new ATOM 0 HE3 MET A 121 -9.139 0.090 -5.001 1.00 0.00 H new ATOM 1906 N ASP A 122 -8.123 6.910 -2.458 1.00 0.00 N ATOM 1907 CA ASP A 122 -7.094 7.841 -2.027 1.00 0.00 C ATOM 1908 C ASP A 122 -7.134 7.970 -0.503 1.00 0.00 C ATOM 1909 O ASP A 122 -6.123 7.761 0.167 1.00 0.00 O ATOM 1910 CB ASP A 122 -7.325 9.231 -2.625 1.00 0.00 C ATOM 1911 CG ASP A 122 -6.393 10.324 -2.099 1.00 0.00 C ATOM 1912 OD1 ASP A 122 -6.493 10.622 -0.889 1.00 0.00 O ATOM 1913 OD2 ASP A 122 -5.600 10.836 -2.919 1.00 0.00 O ATOM 0 H ASP A 122 -8.741 7.265 -3.188 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.130 7.458 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.212 9.168 -3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -8.355 9.528 -2.429 1.00 0.00 H new ATOM 1918 N ARG A 123 -8.311 8.312 0.000 1.00 0.00 N ATOM 1919 CA ARG A 123 -8.495 8.471 1.432 1.00 0.00 C ATOM 1920 C ARG A 123 -8.171 7.163 2.157 1.00 0.00 C ATOM 1921 O ARG A 123 -7.364 7.146 3.085 1.00 0.00 O ATOM 1922 CB ARG A 123 -9.930 8.886 1.761 1.00 0.00 C ATOM 1923 CG ARG A 123 -10.222 10.299 1.249 1.00 0.00 C ATOM 1924 CD ARG A 123 -10.447 11.267 2.412 1.00 0.00 C ATOM 1925 NE ARG A 123 -9.517 12.414 2.303 1.00 0.00 N ATOM 1926 CZ ARG A 123 -9.171 13.200 3.331 1.00 0.00 C ATOM 1927 NH1 ARG A 123 -9.675 12.970 4.551 1.00 0.00 N ATOM 1928 NH2 ARG A 123 -8.321 14.218 3.139 1.00 0.00 N ATOM 0 H ARG A 123 -9.147 8.483 -0.559 1.00 0.00 H new ATOM 0 HA ARG A 123 -7.816 9.255 1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -10.629 8.181 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -10.086 8.846 2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -9.390 10.647 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.104 10.283 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -11.478 11.622 2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -10.293 10.752 3.360 1.00 0.00 H new ATOM 0 HE ARG A 123 -9.115 12.618 1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -10.323 12.196 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -9.411 13.569 5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.938 14.394 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -8.057 14.817 3.922 1.00 0.00 H new ATOM 1942 N GLY A 124 -8.818 6.098 1.706 1.00 0.00 N ATOM 1943 CA GLY A 124 -8.610 4.788 2.300 1.00 0.00 C ATOM 1944 C GLY A 124 -7.127 4.414 2.295 1.00 0.00 C ATOM 1945 O GLY A 124 -6.615 3.875 3.275 1.00 0.00 O ATOM 0 H GLY A 124 -9.487 6.116 0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.986 4.785 3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -9.179 4.040 1.748 1.00 0.00 H new ATOM 1949 N TRP A 125 -6.477 4.714 1.179 1.00 0.00 N ATOM 1950 CA TRP A 125 -5.063 4.415 1.033 1.00 0.00 C ATOM 1951 C TRP A 125 -4.303 5.186 2.115 1.00 0.00 C ATOM 1952 O TRP A 125 -3.584 4.591 2.917 1.00 0.00 O ATOM 1953 CB TRP A 125 -4.577 4.737 -0.381 1.00 0.00 C ATOM 1954 CG TRP A 125 -4.475 3.515 -1.297 1.00 0.00 C ATOM 1955 CD1 TRP A 125 -5.261 3.191 -2.332 1.00 0.00 C ATOM 1956 CD2 TRP A 125 -3.492 2.461 -1.216 1.00 0.00 C ATOM 1957 NE1 TRP A 125 -4.859 2.010 -2.922 1.00 0.00 N ATOM 1958 CE2 TRP A 125 -3.749 1.552 -2.222 1.00 0.00 C ATOM 1959 CE3 TRP A 125 -2.421 2.281 -0.323 1.00 0.00 C ATOM 1960 CZ2 TRP A 125 -2.980 0.401 -2.430 1.00 0.00 C ATOM 1961 CZ3 TRP A 125 -1.662 1.126 -0.544 1.00 0.00 C ATOM 1962 CH2 TRP A 125 -1.908 0.201 -1.552 1.00 0.00 C ATOM 0 H TRP A 125 -6.904 5.161 0.368 1.00 0.00 H new ATOM 0 HA TRP A 125 -4.879 3.349 1.169 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -5.256 5.461 -0.832 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -3.599 5.214 -0.318 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -6.104 3.780 -2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -5.296 1.557 -3.724 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -2.201 2.979 0.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -3.202 -0.295 -3.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -0.827 0.940 0.115 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -1.275 -0.668 -1.657 1.00 0.00 H new ATOM 1973 N HIS A 126 -4.488 6.498 2.103 1.00 0.00 N ATOM 1974 CA HIS A 126 -3.829 7.356 3.073 1.00 0.00 C ATOM 1975 C HIS A 126 -4.204 6.912 4.488 1.00 0.00 C ATOM 1976 O HIS A 126 -3.329 6.661 5.316 1.00 0.00 O ATOM 1977 CB HIS A 126 -4.154 8.827 2.806 1.00 0.00 C ATOM 1978 CG HIS A 126 -3.043 9.779 3.179 1.00 0.00 C ATOM 1979 ND1 HIS A 126 -1.704 9.464 3.029 1.00 0.00 N ATOM 1980 CD2 HIS A 126 -3.086 11.040 3.696 1.00 0.00 C ATOM 1981 CE1 HIS A 126 -0.982 10.496 3.440 1.00 0.00 C ATOM 1982 NE2 HIS A 126 -1.841 11.472 3.854 1.00 0.00 N ATOM 0 H HIS A 126 -5.085 6.988 1.437 1.00 0.00 H new ATOM 0 HA HIS A 126 -2.748 7.260 2.975 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -4.385 8.951 1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -5.052 9.097 3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -3.982 11.594 3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 126 0.096 10.554 3.446 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -1.571 12.383 4.224 1.00 0.00 H new ATOM 1990 N ASP A 127 -5.505 6.830 4.723 1.00 0.00 N ATOM 1991 CA ASP A 127 -6.006 6.421 6.024 1.00 0.00 C ATOM 1992 C ASP A 127 -5.386 5.076 6.405 1.00 0.00 C ATOM 1993 O ASP A 127 -5.096 4.831 7.575 1.00 0.00 O ATOM 1994 CB ASP A 127 -7.527 6.251 6.000 1.00 0.00 C ATOM 1995 CG ASP A 127 -8.161 5.914 7.351 1.00 0.00 C ATOM 1996 OD1 ASP A 127 -7.943 4.773 7.811 1.00 0.00 O ATOM 1997 OD2 ASP A 127 -8.850 6.806 7.892 1.00 0.00 O ATOM 0 H ASP A 127 -6.228 7.040 4.034 1.00 0.00 H new ATOM 0 HA ASP A 127 -5.741 7.194 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -7.975 7.171 5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -7.778 5.462 5.291 1.00 0.00 H new ATOM 2002 N LEU A 128 -5.201 4.238 5.395 1.00 0.00 N ATOM 2003 CA LEU A 128 -4.620 2.924 5.610 1.00 0.00 C ATOM 2004 C LEU A 128 -3.139 3.076 5.962 1.00 0.00 C ATOM 2005 O LEU A 128 -2.648 2.430 6.886 1.00 0.00 O ATOM 2006 CB LEU A 128 -4.875 2.022 4.400 1.00 0.00 C ATOM 2007 CG LEU A 128 -3.975 0.790 4.281 1.00 0.00 C ATOM 2008 CD1 LEU A 128 -4.527 -0.374 5.106 1.00 0.00 C ATOM 2009 CD2 LEU A 128 -3.764 0.404 2.816 1.00 0.00 C ATOM 0 H LEU A 128 -5.443 4.444 4.426 1.00 0.00 H new ATOM 0 HA LEU A 128 -5.099 2.429 6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -5.912 1.688 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -4.761 2.620 3.496 1.00 0.00 H new ATOM 0 HG LEU A 128 -2.997 1.041 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.869 -1.237 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -4.583 -0.082 6.155 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -5.523 -0.633 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -3.121 -0.474 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -4.727 0.179 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -3.294 1.232 2.286 1.00 0.00 H new ATOM 2021 N VAL A 129 -2.469 3.934 5.207 1.00 0.00 N ATOM 2022 CA VAL A 129 -1.055 4.180 5.428 1.00 0.00 C ATOM 2023 C VAL A 129 -0.886 5.447 6.268 1.00 0.00 C ATOM 2024 O VAL A 129 0.074 6.194 6.087 1.00 0.00 O ATOM 2025 CB VAL A 129 -0.320 4.250 4.087 1.00 0.00 C ATOM 2026 CG1 VAL A 129 -0.744 5.488 3.294 1.00 0.00 C ATOM 2027 CG2 VAL A 129 1.196 4.222 4.291 1.00 0.00 C ATOM 0 H VAL A 129 -2.880 4.468 4.441 1.00 0.00 H new ATOM 0 HA VAL A 129 -0.608 3.358 5.987 1.00 0.00 H new ATOM 0 HB VAL A 129 -0.596 3.370 3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -0.207 5.514 2.346 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -1.816 5.448 3.103 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -0.511 6.385 3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 129 1.694 4.273 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 129 1.497 5.075 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 129 1.478 3.298 4.796 1.00 0.00 H new ATOM 2037 N ASN A 130 -1.836 5.651 7.170 1.00 0.00 N ATOM 2038 CA ASN A 130 -1.805 6.815 8.039 1.00 0.00 C ATOM 2039 C ASN A 130 -1.763 6.356 9.498 1.00 0.00 C ATOM 2040 O ASN A 130 -0.889 6.772 10.258 1.00 0.00 O ATOM 2041 CB ASN A 130 -3.055 7.677 7.851 1.00 0.00 C ATOM 2042 CG ASN A 130 -2.762 8.878 6.950 1.00 0.00 C ATOM 2043 OD1 ASN A 130 -3.467 9.158 5.995 1.00 0.00 O ATOM 2044 ND2 ASN A 130 -1.684 9.572 7.307 1.00 0.00 N ATOM 0 H ASN A 130 -2.631 5.030 7.317 1.00 0.00 H new ATOM 0 HA ASN A 130 -0.921 7.401 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -3.853 7.076 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -3.411 8.024 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -1.405 10.393 6.769 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -1.137 9.283 8.118 1.00 0.00 H new ATOM 2051 N GLU A 131 -2.717 5.505 9.845 1.00 0.00 N ATOM 2052 CA GLU A 131 -2.800 4.985 11.199 1.00 0.00 C ATOM 2053 C GLU A 131 -2.665 3.461 11.192 1.00 0.00 C ATOM 2054 O GLU A 131 -1.755 2.912 11.811 1.00 0.00 O ATOM 2055 CB GLU A 131 -4.104 5.417 11.873 1.00 0.00 C ATOM 2056 CG GLU A 131 -4.368 6.907 11.653 1.00 0.00 C ATOM 2057 CD GLU A 131 -4.401 7.661 12.984 1.00 0.00 C ATOM 2058 OE1 GLU A 131 -4.794 7.025 13.986 1.00 0.00 O ATOM 2059 OE2 GLU A 131 -4.034 8.856 12.969 1.00 0.00 O ATOM 0 H GLU A 131 -3.439 5.162 9.212 1.00 0.00 H new ATOM 0 HA GLU A 131 -1.975 5.400 11.778 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -4.934 4.834 11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -4.052 5.207 12.941 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -3.592 7.327 11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -5.317 7.039 11.133 1.00 0.00 H new ATOM 2066 N ARG A 132 -3.584 2.821 10.484 1.00 0.00 N ATOM 2067 CA ARG A 132 -3.579 1.371 10.388 1.00 0.00 C ATOM 2068 C ARG A 132 -2.144 0.850 10.295 1.00 0.00 C ATOM 2069 O ARG A 132 -1.708 0.067 11.138 1.00 0.00 O ATOM 2070 CB ARG A 132 -4.366 0.897 9.165 1.00 0.00 C ATOM 2071 CG ARG A 132 -5.868 1.115 9.361 1.00 0.00 C ATOM 2072 CD ARG A 132 -6.581 -0.208 9.648 1.00 0.00 C ATOM 2073 NE ARG A 132 -6.948 -0.286 11.079 1.00 0.00 N ATOM 2074 CZ ARG A 132 -7.929 0.432 11.643 1.00 0.00 C ATOM 2075 NH1 ARG A 132 -8.647 1.285 10.900 1.00 0.00 N ATOM 2076 NH2 ARG A 132 -8.192 0.297 12.950 1.00 0.00 N ATOM 0 H ARG A 132 -4.337 3.280 9.971 1.00 0.00 H new ATOM 0 HA ARG A 132 -4.055 0.978 11.287 1.00 0.00 H new ATOM 0 HB2 ARG A 132 -4.029 1.437 8.280 1.00 0.00 H new ATOM 0 HB3 ARG A 132 -4.168 -0.160 8.988 1.00 0.00 H new ATOM 0 HG2 ARG A 132 -6.034 1.808 10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 132 -6.292 1.575 8.468 1.00 0.00 H new ATOM 0 HD2 ARG A 132 -7.475 -0.290 9.030 1.00 0.00 H new ATOM 0 HD3 ARG A 132 -5.933 -1.044 9.384 1.00 0.00 H new ATOM 0 HE ARG A 132 -6.422 -0.926 11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 132 -8.447 1.388 9.905 1.00 0.00 H new ATOM 0 HH12 ARG A 132 -9.394 1.831 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 132 -7.645 -0.352 13.516 1.00 0.00 H new ATOM 0 HH22 ARG A 132 -8.939 0.844 13.379 1.00 0.00 H new ATOM 2090 N LEU A 133 -1.448 1.306 9.264 1.00 0.00 N ATOM 2091 CA LEU A 133 -0.071 0.896 9.050 1.00 0.00 C ATOM 2092 C LEU A 133 0.799 1.430 10.190 1.00 0.00 C ATOM 2093 O LEU A 133 1.746 0.771 10.614 1.00 0.00 O ATOM 2094 CB LEU A 133 0.406 1.323 7.660 1.00 0.00 C ATOM 2095 CG LEU A 133 1.883 1.069 7.350 1.00 0.00 C ATOM 2096 CD1 LEU A 133 2.238 -0.407 7.544 1.00 0.00 C ATOM 2097 CD2 LEU A 133 2.242 1.565 5.948 1.00 0.00 C ATOM 0 H LEU A 133 -1.812 1.956 8.567 1.00 0.00 H new ATOM 0 HA LEU A 133 0.010 -0.191 9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.196 0.802 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 133 0.208 2.388 7.541 1.00 0.00 H new ATOM 0 HG LEU A 133 2.484 1.641 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.293 -0.560 7.317 1.00 0.00 H new ATOM 0 HD12 LEU A 133 2.043 -0.695 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 133 1.631 -1.018 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 133 3.297 1.372 5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 133 1.635 1.041 5.210 1.00 0.00 H new ATOM 0 HD23 LEU A 133 2.050 2.636 5.881 1.00 0.00 H new ATOM 2109 N ARG A 134 0.446 2.621 10.652 1.00 0.00 N ATOM 2110 CA ARG A 134 1.182 3.251 11.735 1.00 0.00 C ATOM 2111 C ARG A 134 1.108 2.392 12.998 1.00 0.00 C ATOM 2112 O ARG A 134 2.050 2.362 13.789 1.00 0.00 O ATOM 2113 CB ARG A 134 0.627 4.644 12.040 1.00 0.00 C ATOM 2114 CG ARG A 134 1.638 5.476 12.832 1.00 0.00 C ATOM 2115 CD ARG A 134 1.056 5.911 14.178 1.00 0.00 C ATOM 2116 NE ARG A 134 0.628 7.326 14.111 1.00 0.00 N ATOM 2117 CZ ARG A 134 -0.290 7.872 14.920 1.00 0.00 C ATOM 2118 NH1 ARG A 134 -0.882 7.126 15.862 1.00 0.00 N ATOM 2119 NH2 ARG A 134 -0.616 9.165 14.786 1.00 0.00 N ATOM 0 H ARG A 134 -0.339 3.166 10.296 1.00 0.00 H new ATOM 0 HA ARG A 134 2.221 3.347 11.418 1.00 0.00 H new ATOM 0 HB2 ARG A 134 0.382 5.154 11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -0.299 4.554 12.607 1.00 0.00 H new ATOM 0 HG2 ARG A 134 2.545 4.894 12.995 1.00 0.00 H new ATOM 0 HG3 ARG A 134 1.923 6.355 12.254 1.00 0.00 H new ATOM 0 HD2 ARG A 134 0.208 5.278 14.438 1.00 0.00 H new ATOM 0 HD3 ARG A 134 1.801 5.785 14.964 1.00 0.00 H new ATOM 0 HE ARG A 134 1.059 7.923 13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.634 6.142 15.964 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -1.581 7.542 16.478 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -0.165 9.733 14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -1.315 9.581 15.402 1.00 0.00 H new ATOM 2133 N GLN A 135 -0.021 1.715 13.150 1.00 0.00 N ATOM 2134 CA GLN A 135 -0.230 0.858 14.304 1.00 0.00 C ATOM 2135 C GLN A 135 0.611 -0.415 14.180 1.00 0.00 C ATOM 2136 O GLN A 135 1.039 -0.980 15.185 1.00 0.00 O ATOM 2137 CB GLN A 135 -1.713 0.521 14.475 1.00 0.00 C ATOM 2138 CG GLN A 135 -2.339 1.355 15.595 1.00 0.00 C ATOM 2139 CD GLN A 135 -2.820 0.462 16.740 1.00 0.00 C ATOM 2140 OE1 GLN A 135 -3.551 -0.495 16.551 1.00 0.00 O ATOM 2141 NE2 GLN A 135 -2.369 0.828 17.937 1.00 0.00 N ATOM 0 H GLN A 135 -0.801 1.743 12.493 1.00 0.00 H new ATOM 0 HA GLN A 135 0.092 1.397 15.195 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -2.242 0.706 13.540 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -1.825 -0.540 14.700 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -1.609 2.072 15.970 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -3.177 1.930 15.200 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -1.759 1.641 18.026 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -2.633 0.296 18.766 1.00 0.00 H new ATOM 2150 N ILE A 136 0.822 -0.827 12.939 1.00 0.00 N ATOM 2151 CA ILE A 136 1.604 -2.022 12.670 1.00 0.00 C ATOM 2152 C ILE A 136 3.002 -1.857 13.270 1.00 0.00 C ATOM 2153 O ILE A 136 3.709 -2.840 13.483 1.00 0.00 O ATOM 2154 CB ILE A 136 1.610 -2.333 11.172 1.00 0.00 C ATOM 2155 CG1 ILE A 136 0.189 -2.561 10.653 1.00 0.00 C ATOM 2156 CG2 ILE A 136 2.530 -3.515 10.861 1.00 0.00 C ATOM 2157 CD1 ILE A 136 -0.595 -3.484 11.588 1.00 0.00 C ATOM 0 H ILE A 136 0.465 -0.355 12.108 1.00 0.00 H new ATOM 0 HA ILE A 136 1.151 -2.890 13.150 1.00 0.00 H new ATOM 0 HB ILE A 136 2.010 -1.466 10.645 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -0.327 -1.605 10.563 1.00 0.00 H new ATOM 0 HG13 ILE A 136 0.228 -2.997 9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 136 2.516 -3.715 9.790 1.00 0.00 H new ATOM 0 HG22 ILE A 136 3.547 -3.276 11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 136 2.184 -4.397 11.399 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -1.602 -3.629 11.196 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -0.089 -4.447 11.656 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -0.653 -3.034 12.579 1.00 0.00 H new ATOM 2169 N VAL A 137 3.357 -0.607 13.525 1.00 0.00 N ATOM 2170 CA VAL A 137 4.658 -0.301 14.096 1.00 0.00 C ATOM 2171 C VAL A 137 4.472 0.246 15.513 1.00 0.00 C ATOM 2172 O VAL A 137 5.302 0.005 16.389 1.00 0.00 O ATOM 2173 CB VAL A 137 5.419 0.660 13.180 1.00 0.00 C ATOM 2174 CG1 VAL A 137 5.774 -0.014 11.853 1.00 0.00 C ATOM 2175 CG2 VAL A 137 4.619 1.943 12.946 1.00 0.00 C ATOM 0 H VAL A 137 2.767 0.206 13.347 1.00 0.00 H new ATOM 0 HA VAL A 137 5.263 -1.204 14.172 1.00 0.00 H new ATOM 0 HB VAL A 137 6.350 0.932 13.678 1.00 0.00 H new ATOM 0 HG11 VAL A 137 6.314 0.690 11.220 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.401 -0.885 12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 137 4.860 -0.328 11.348 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.182 2.609 12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.665 1.697 12.479 1.00 0.00 H new ATOM 0 HG23 VAL A 137 4.439 2.439 13.900 1.00 0.00 H new ATOM 2185 N GLU A 138 3.378 0.971 15.695 1.00 0.00 N ATOM 2186 CA GLU A 138 3.073 1.553 16.990 1.00 0.00 C ATOM 2187 C GLU A 138 2.197 0.601 17.807 1.00 0.00 C ATOM 2188 O GLU A 138 1.571 1.011 18.784 1.00 0.00 O ATOM 2189 CB GLU A 138 2.400 2.918 16.833 1.00 0.00 C ATOM 2190 CG GLU A 138 3.435 4.045 16.856 1.00 0.00 C ATOM 2191 CD GLU A 138 3.071 5.104 17.899 1.00 0.00 C ATOM 2192 OE1 GLU A 138 2.133 5.880 17.616 1.00 0.00 O ATOM 2193 OE2 GLU A 138 3.738 5.112 18.956 1.00 0.00 O ATOM 0 H GLU A 138 2.692 1.168 14.967 1.00 0.00 H new ATOM 0 HA GLU A 138 4.009 1.706 17.527 1.00 0.00 H new ATOM 0 HB2 GLU A 138 1.845 2.948 15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 138 1.678 3.066 17.636 1.00 0.00 H new ATOM 0 HG2 GLU A 138 4.420 3.634 17.078 1.00 0.00 H new ATOM 0 HG3 GLU A 138 3.497 4.507 15.870 1.00 0.00 H new TER 2200 GLU A 138