USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 839 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 40 LYS NZ :NH3+ 159:sc= 0.0185! (180deg=0.614) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -3.19 K(o=-3.2,f=-5.3!) USER MOD Set 2.1: A 91 THR OG1 : rot -81:sc= 0.312 USER MOD Set 2.2: A 93 GLN : amide:sc= -3.17 K(o=-2.9,f=-5.6!) USER MOD Single : A 1 GLU N :NH3+ 132:sc= 0.0768 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 42:sc= 0.362 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 10 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-2.1) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00721 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 170:sc= -0.748 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -173:sc= 1.3 USER MOD Single : A 26 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.405 K(o=-0.41,f=-3.8!) USER MOD Single : A 63 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.27) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 93:sc= 1.26 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc=-0.00794 K(o=-0.0079,f=-1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -1.81 X(o=-1.8,f=-1.5) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 12:sc= 1.07 USER MOD Single : A 96 SER OG : rot 24:sc= -0.902 USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= -0.172 (180deg=-0.741) USER MOD Single : A 104 HIS : no HD1:sc= -0.372 K(o=-0.37,f=-1.7) USER MOD Single : A 106 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -25.719 4.917 -16.816 1.00 0.00 N ATOM 2 CA GLU A 1 -27.104 4.545 -16.413 1.00 0.00 C ATOM 3 C GLU A 1 -27.582 5.498 -15.324 1.00 0.00 C ATOM 4 O GLU A 1 -26.783 6.043 -14.562 1.00 0.00 O ATOM 5 CB GLU A 1 -27.166 3.110 -15.883 1.00 0.00 C ATOM 6 CG GLU A 1 -28.600 2.588 -15.985 1.00 0.00 C ATOM 7 CD GLU A 1 -28.660 1.157 -15.464 1.00 0.00 C ATOM 8 OE1 GLU A 1 -28.422 0.966 -14.283 1.00 0.00 O ATOM 9 OE2 GLU A 1 -28.942 0.271 -16.254 1.00 0.00 O ATOM 0 H1 GLU A 1 -25.123 4.065 -16.836 1.00 0.00 H new ATOM 0 H2 GLU A 1 -25.737 5.349 -17.762 1.00 0.00 H new ATOM 0 H3 GLU A 1 -25.329 5.597 -16.132 1.00 0.00 H new ATOM 0 HA GLU A 1 -27.744 4.614 -17.292 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -26.494 2.471 -16.455 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -26.830 3.079 -14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -29.271 3.224 -15.409 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -28.938 2.623 -17.021 1.00 0.00 H new ATOM 18 N THR A 2 -28.901 5.694 -15.260 1.00 0.00 N ATOM 19 CA THR A 2 -29.506 6.586 -14.262 1.00 0.00 C ATOM 20 C THR A 2 -28.788 7.944 -14.217 1.00 0.00 C ATOM 21 O THR A 2 -28.005 8.211 -13.305 1.00 0.00 O ATOM 22 CB THR A 2 -29.465 5.946 -12.870 1.00 0.00 C ATOM 23 OG1 THR A 2 -28.200 5.335 -12.660 1.00 0.00 O ATOM 24 CG2 THR A 2 -30.567 4.890 -12.759 1.00 0.00 C ATOM 0 H THR A 2 -29.572 5.248 -15.886 1.00 0.00 H new ATOM 0 HA THR A 2 -30.543 6.748 -14.557 1.00 0.00 H new ATOM 0 HB THR A 2 -29.623 6.717 -12.115 1.00 0.00 H new ATOM 0 HG1 THR A 2 -27.493 5.921 -13.002 1.00 0.00 H new ATOM 0 HG21 THR A 2 -30.537 4.435 -11.769 1.00 0.00 H new ATOM 0 HG22 THR A 2 -31.538 5.360 -12.913 1.00 0.00 H new ATOM 0 HG23 THR A 2 -30.412 4.121 -13.516 1.00 0.00 H new ATOM 32 N PRO A 3 -29.044 8.813 -15.204 1.00 0.00 N ATOM 33 CA PRO A 3 -28.414 10.140 -15.264 1.00 0.00 C ATOM 34 C PRO A 3 -28.980 11.100 -14.217 1.00 0.00 C ATOM 35 O PRO A 3 -29.560 12.135 -14.547 1.00 0.00 O ATOM 36 CB PRO A 3 -28.733 10.635 -16.674 1.00 0.00 C ATOM 37 CG PRO A 3 -29.970 9.906 -17.072 1.00 0.00 C ATOM 38 CD PRO A 3 -29.959 8.594 -16.342 1.00 0.00 C ATOM 0 HA PRO A 3 -27.346 10.088 -15.055 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -28.890 11.714 -16.687 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -27.913 10.424 -17.361 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -30.858 10.483 -16.814 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -29.994 9.748 -18.150 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -30.958 8.321 -16.002 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -29.608 7.786 -16.984 1.00 0.00 H new ATOM 46 N ARG A 4 -28.802 10.743 -12.948 1.00 0.00 N ATOM 47 CA ARG A 4 -29.298 11.577 -11.857 1.00 0.00 C ATOM 48 C ARG A 4 -28.887 10.993 -10.507 1.00 0.00 C ATOM 49 O ARG A 4 -29.645 11.031 -9.538 1.00 0.00 O ATOM 50 CB ARG A 4 -30.825 11.683 -11.917 1.00 0.00 C ATOM 51 CG ARG A 4 -31.437 10.280 -11.904 1.00 0.00 C ATOM 52 CD ARG A 4 -32.804 10.312 -11.210 1.00 0.00 C ATOM 53 NE ARG A 4 -32.899 9.246 -10.217 1.00 0.00 N ATOM 54 CZ ARG A 4 -33.624 9.402 -9.111 1.00 0.00 C ATOM 55 NH1 ARG A 4 -33.530 10.506 -8.420 1.00 0.00 N ATOM 56 NH2 ARG A 4 -34.427 8.452 -8.718 1.00 0.00 N ATOM 0 H ARG A 4 -28.324 9.892 -12.652 1.00 0.00 H new ATOM 0 HA ARG A 4 -28.862 12.570 -11.967 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -31.193 12.259 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -31.128 12.215 -12.819 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -31.546 9.912 -12.924 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -30.772 9.589 -11.385 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -32.952 11.279 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -33.597 10.200 -11.950 1.00 0.00 H new ATOM 0 HE ARG A 4 -32.403 8.369 -10.373 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -32.902 11.248 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -34.085 10.626 -7.573 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -34.500 7.590 -9.258 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -34.982 8.572 -7.871 1.00 0.00 H new ATOM 70 N GLU A 5 -27.673 10.451 -10.456 1.00 0.00 N ATOM 71 CA GLU A 5 -27.166 9.859 -9.222 1.00 0.00 C ATOM 72 C GLU A 5 -25.777 10.402 -8.902 1.00 0.00 C ATOM 73 O GLU A 5 -25.136 11.042 -9.736 1.00 0.00 O ATOM 74 CB GLU A 5 -27.087 8.336 -9.350 1.00 0.00 C ATOM 75 CG GLU A 5 -28.484 7.736 -9.180 1.00 0.00 C ATOM 76 CD GLU A 5 -28.739 7.451 -7.704 1.00 0.00 C ATOM 77 OE1 GLU A 5 -28.196 6.478 -7.207 1.00 0.00 O ATOM 78 OE2 GLU A 5 -29.474 8.209 -7.093 1.00 0.00 O ATOM 0 H GLU A 5 -27.028 10.409 -11.245 1.00 0.00 H new ATOM 0 HA GLU A 5 -27.854 10.120 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -26.678 8.063 -10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -26.412 7.932 -8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -29.236 8.425 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -28.569 6.816 -9.759 1.00 0.00 H new ATOM 85 N LYS A 6 -25.320 10.140 -7.681 1.00 0.00 N ATOM 86 CA LYS A 6 -24.003 10.607 -7.255 1.00 0.00 C ATOM 87 C LYS A 6 -23.054 9.426 -7.069 1.00 0.00 C ATOM 88 O LYS A 6 -22.173 9.447 -6.211 1.00 0.00 O ATOM 89 CB LYS A 6 -24.109 11.374 -5.934 1.00 0.00 C ATOM 90 CG LYS A 6 -25.024 12.585 -6.119 1.00 0.00 C ATOM 91 CD LYS A 6 -24.827 13.556 -4.954 1.00 0.00 C ATOM 92 CE LYS A 6 -25.683 13.111 -3.767 1.00 0.00 C ATOM 93 NZ LYS A 6 -25.143 13.633 -2.480 1.00 0.00 N ATOM 0 H LYS A 6 -25.835 9.613 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 6 -23.613 11.269 -8.029 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -24.503 10.723 -5.154 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -23.120 11.698 -5.609 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -24.800 13.082 -7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -26.065 12.264 -6.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.776 13.587 -4.666 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -25.104 14.566 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -26.706 13.462 -3.903 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -25.721 12.022 -3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -25.746 13.313 -1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.176 13.278 -2.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -25.130 14.673 -2.505 1.00 0.00 H new ATOM 107 N LEU A 7 -23.246 8.396 -7.888 1.00 0.00 N ATOM 108 CA LEU A 7 -22.402 7.207 -7.810 1.00 0.00 C ATOM 109 C LEU A 7 -21.358 7.221 -8.924 1.00 0.00 C ATOM 110 O LEU A 7 -21.526 6.580 -9.962 1.00 0.00 O ATOM 111 CB LEU A 7 -23.250 5.939 -7.931 1.00 0.00 C ATOM 112 CG LEU A 7 -23.856 5.426 -6.623 1.00 0.00 C ATOM 113 CD1 LEU A 7 -22.737 4.984 -5.679 1.00 0.00 C ATOM 114 CD2 LEU A 7 -24.667 6.544 -5.963 1.00 0.00 C ATOM 0 H LEU A 7 -23.970 8.359 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 7 -21.899 7.213 -6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -24.059 6.130 -8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -22.633 5.149 -8.360 1.00 0.00 H new ATOM 0 HG LEU A 7 -24.508 4.579 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -23.170 4.619 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -22.159 4.187 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -22.083 5.830 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -25.099 6.179 -5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -24.015 7.391 -5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -25.466 6.859 -6.634 1.00 0.00 H new ATOM 126 N LYS A 8 -20.278 7.962 -8.697 1.00 0.00 N ATOM 127 CA LYS A 8 -19.209 8.057 -9.687 1.00 0.00 C ATOM 128 C LYS A 8 -18.494 6.718 -9.826 1.00 0.00 C ATOM 129 O LYS A 8 -18.823 5.748 -9.143 1.00 0.00 O ATOM 130 CB LYS A 8 -18.193 9.125 -9.277 1.00 0.00 C ATOM 131 CG LYS A 8 -18.865 10.499 -9.285 1.00 0.00 C ATOM 132 CD LYS A 8 -18.004 11.493 -8.503 1.00 0.00 C ATOM 133 CE LYS A 8 -17.071 12.229 -9.467 1.00 0.00 C ATOM 134 NZ LYS A 8 -17.700 13.477 -9.986 1.00 0.00 N ATOM 0 H LYS A 8 -20.120 8.501 -7.845 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.657 8.331 -10.642 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -17.800 8.906 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.346 9.119 -9.963 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.998 10.845 -10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.858 10.433 -8.840 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -18.639 12.207 -7.979 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.421 10.969 -7.746 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -16.139 12.474 -8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.816 11.574 -10.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -17.042 13.953 -10.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.577 13.239 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.920 14.111 -9.192 1.00 0.00 H new ATOM 148 N GLN A 9 -17.510 6.676 -10.720 1.00 0.00 N ATOM 149 CA GLN A 9 -16.750 5.450 -10.944 1.00 0.00 C ATOM 150 C GLN A 9 -15.272 5.770 -11.153 1.00 0.00 C ATOM 151 O GLN A 9 -14.753 5.702 -12.269 1.00 0.00 O ATOM 152 CB GLN A 9 -17.285 4.706 -12.172 1.00 0.00 C ATOM 153 CG GLN A 9 -18.586 3.986 -11.809 1.00 0.00 C ATOM 154 CD GLN A 9 -19.512 3.966 -13.020 1.00 0.00 C ATOM 155 OE1 GLN A 9 -20.000 5.009 -13.454 1.00 0.00 O ATOM 156 NE2 GLN A 9 -19.785 2.828 -13.598 1.00 0.00 N ATOM 0 H GLN A 9 -17.222 7.467 -11.296 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.860 4.817 -10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -17.461 5.408 -12.987 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -16.546 3.987 -12.525 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -18.372 2.968 -11.485 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -19.073 4.491 -10.974 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -19.381 1.963 -13.238 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -20.403 2.803 -14.409 1.00 0.00 H new ATOM 165 N HIS A 10 -14.597 6.123 -10.062 1.00 0.00 N ATOM 166 CA HIS A 10 -13.176 6.454 -10.132 1.00 0.00 C ATOM 167 C HIS A 10 -12.513 6.257 -8.770 1.00 0.00 C ATOM 168 O HIS A 10 -11.772 5.297 -8.559 1.00 0.00 O ATOM 169 CB HIS A 10 -12.984 7.906 -10.580 1.00 0.00 C ATOM 170 CG HIS A 10 -13.320 8.030 -12.041 1.00 0.00 C ATOM 171 ND1 HIS A 10 -12.558 7.425 -13.027 1.00 0.00 N ATOM 172 CD2 HIS A 10 -14.331 8.687 -12.697 1.00 0.00 C ATOM 173 CE1 HIS A 10 -13.118 7.728 -14.213 1.00 0.00 C ATOM 174 NE2 HIS A 10 -14.201 8.494 -14.070 1.00 0.00 N ATOM 0 H HIS A 10 -15.005 6.187 -9.129 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.711 5.788 -10.859 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -13.622 8.566 -9.992 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.954 8.218 -10.405 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -15.109 9.266 -12.221 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.737 7.392 -15.166 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -14.804 8.859 -14.807 1.00 0.00 H new ATOM 182 N SER A 11 -12.784 7.180 -7.849 1.00 0.00 N ATOM 183 CA SER A 11 -12.204 7.099 -6.510 1.00 0.00 C ATOM 184 C SER A 11 -13.282 6.871 -5.449 1.00 0.00 C ATOM 185 O SER A 11 -13.004 6.344 -4.372 1.00 0.00 O ATOM 186 CB SER A 11 -11.447 8.387 -6.180 1.00 0.00 C ATOM 187 OG SER A 11 -12.067 9.479 -6.847 1.00 0.00 O ATOM 0 H SER A 11 -13.394 7.983 -8.002 1.00 0.00 H new ATOM 0 HA SER A 11 -11.517 6.252 -6.502 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.446 8.556 -5.103 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.406 8.300 -6.490 1.00 0.00 H new ATOM 0 HG SER A 11 -11.586 10.307 -6.637 1.00 0.00 H new ATOM 193 N ASP A 12 -14.517 7.277 -5.756 1.00 0.00 N ATOM 194 CA ASP A 12 -15.624 7.112 -4.811 1.00 0.00 C ATOM 195 C ASP A 12 -15.778 5.649 -4.397 1.00 0.00 C ATOM 196 O ASP A 12 -15.978 5.341 -3.223 1.00 0.00 O ATOM 197 CB ASP A 12 -16.936 7.591 -5.438 1.00 0.00 C ATOM 198 CG ASP A 12 -17.162 6.870 -6.761 1.00 0.00 C ATOM 199 OD1 ASP A 12 -16.482 7.202 -7.718 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.014 5.997 -6.800 1.00 0.00 O ATOM 0 H ASP A 12 -14.773 7.717 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.397 7.711 -3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.767 7.397 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.901 8.668 -5.600 1.00 0.00 H new ATOM 205 N ALA A 13 -15.678 4.753 -5.374 1.00 0.00 N ATOM 206 CA ALA A 13 -15.803 3.324 -5.098 1.00 0.00 C ATOM 207 C ALA A 13 -14.601 2.832 -4.298 1.00 0.00 C ATOM 208 O ALA A 13 -14.713 1.924 -3.474 1.00 0.00 O ATOM 209 CB ALA A 13 -15.891 2.531 -6.404 1.00 0.00 C ATOM 0 H ALA A 13 -15.513 4.986 -6.353 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.714 3.170 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.984 1.469 -6.179 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.762 2.859 -6.971 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.990 2.700 -6.994 1.00 0.00 H new ATOM 215 N CYS A 14 -13.448 3.445 -4.552 1.00 0.00 N ATOM 216 CA CYS A 14 -12.221 3.069 -3.853 1.00 0.00 C ATOM 217 C CYS A 14 -12.210 3.610 -2.420 1.00 0.00 C ATOM 218 O CYS A 14 -11.445 3.140 -1.578 1.00 0.00 O ATOM 219 CB CYS A 14 -11.001 3.611 -4.599 1.00 0.00 C ATOM 220 SG CYS A 14 -11.019 3.003 -6.303 1.00 0.00 S ATOM 0 H CYS A 14 -13.337 4.198 -5.231 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.182 1.980 -3.818 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.010 4.701 -4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.085 3.296 -4.098 1.00 0.00 H new ATOM 225 N LYS A 15 -13.059 4.603 -2.148 1.00 0.00 N ATOM 226 CA LYS A 15 -13.122 5.190 -0.811 1.00 0.00 C ATOM 227 C LYS A 15 -13.802 4.245 0.183 1.00 0.00 C ATOM 228 O LYS A 15 -13.636 4.382 1.395 1.00 0.00 O ATOM 229 CB LYS A 15 -13.891 6.514 -0.845 1.00 0.00 C ATOM 230 CG LYS A 15 -12.917 7.660 -1.122 1.00 0.00 C ATOM 231 CD LYS A 15 -13.409 8.931 -0.428 1.00 0.00 C ATOM 232 CE LYS A 15 -12.971 10.154 -1.234 1.00 0.00 C ATOM 233 NZ LYS A 15 -14.014 10.560 -2.218 1.00 0.00 N ATOM 0 H LYS A 15 -13.703 5.012 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 15 -12.097 5.365 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.660 6.481 -1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.400 6.676 0.105 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -11.922 7.399 -0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.834 7.829 -2.196 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.495 8.912 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.006 8.985 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.765 10.983 -0.557 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.041 9.932 -1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -13.686 11.392 -2.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.192 9.777 -2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.893 10.795 -1.715 1.00 0.00 H new ATOM 247 N ALA A 16 -14.574 3.285 -0.335 1.00 0.00 N ATOM 248 CA ALA A 16 -15.273 2.330 0.529 1.00 0.00 C ATOM 249 C ALA A 16 -14.299 1.615 1.471 1.00 0.00 C ATOM 250 O ALA A 16 -14.690 1.132 2.534 1.00 0.00 O ATOM 251 CB ALA A 16 -16.004 1.285 -0.315 1.00 0.00 C ATOM 0 H ALA A 16 -14.729 3.149 -1.334 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.991 2.894 1.125 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.518 0.583 0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.731 1.781 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.284 0.746 -0.930 1.00 0.00 H new ATOM 257 N GLU A 17 -13.029 1.549 1.071 1.00 0.00 N ATOM 258 CA GLU A 17 -12.018 0.890 1.895 1.00 0.00 C ATOM 259 C GLU A 17 -10.636 1.469 1.613 1.00 0.00 C ATOM 260 O GLU A 17 -9.895 1.819 2.532 1.00 0.00 O ATOM 261 CB GLU A 17 -11.993 -0.614 1.612 1.00 0.00 C ATOM 262 CG GLU A 17 -11.082 -1.313 2.624 1.00 0.00 C ATOM 263 CD GLU A 17 -11.121 -2.820 2.387 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.359 -3.289 1.558 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.914 -3.482 3.037 1.00 0.00 O ATOM 0 H GLU A 17 -12.680 1.938 0.195 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.276 1.060 2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.002 -1.022 1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.636 -0.798 0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.061 -0.945 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.406 -1.085 3.639 1.00 0.00 H new ATOM 272 N SER A 18 -10.295 1.565 0.331 1.00 0.00 N ATOM 273 CA SER A 18 -8.996 2.101 -0.063 1.00 0.00 C ATOM 274 C SER A 18 -8.983 3.624 0.068 1.00 0.00 C ATOM 275 O SER A 18 -8.854 4.353 -0.918 1.00 0.00 O ATOM 276 CB SER A 18 -8.671 1.709 -1.508 1.00 0.00 C ATOM 277 OG SER A 18 -9.335 0.494 -1.826 1.00 0.00 O ATOM 0 H SER A 18 -10.893 1.282 -0.445 1.00 0.00 H new ATOM 0 HA SER A 18 -8.240 1.680 0.600 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.986 2.498 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.594 1.592 -1.632 1.00 0.00 H new ATOM 0 HG SER A 18 -9.263 0.324 -2.789 1.00 0.00 H new ATOM 283 N GLY A 19 -9.120 4.097 1.304 1.00 0.00 N ATOM 284 CA GLY A 19 -9.123 5.529 1.568 1.00 0.00 C ATOM 285 C GLY A 19 -7.840 5.949 2.272 1.00 0.00 C ATOM 286 O GLY A 19 -7.848 6.815 3.146 1.00 0.00 O ATOM 0 H GLY A 19 -9.230 3.512 2.132 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.225 6.076 0.631 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.984 5.788 2.184 1.00 0.00 H new ATOM 290 N VAL A 20 -6.732 5.321 1.881 1.00 0.00 N ATOM 291 CA VAL A 20 -5.433 5.630 2.481 1.00 0.00 C ATOM 292 C VAL A 20 -5.097 7.113 2.302 1.00 0.00 C ATOM 293 O VAL A 20 -4.885 7.588 1.186 1.00 0.00 O ATOM 294 CB VAL A 20 -4.336 4.760 1.844 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.232 5.059 0.345 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.987 5.046 2.516 1.00 0.00 C ATOM 0 H VAL A 20 -6.706 4.602 1.158 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.484 5.412 3.548 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.595 3.711 1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.453 4.438 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.185 4.842 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.984 6.110 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.215 4.426 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.732 6.098 2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.055 4.817 3.580 1.00 0.00 H new ATOM 306 N SER A 21 -5.050 7.833 3.420 1.00 0.00 N ATOM 307 CA SER A 21 -4.739 9.259 3.386 1.00 0.00 C ATOM 308 C SER A 21 -3.257 9.469 3.081 1.00 0.00 C ATOM 309 O SER A 21 -2.555 8.540 2.682 1.00 0.00 O ATOM 310 CB SER A 21 -5.079 9.909 4.729 1.00 0.00 C ATOM 311 OG SER A 21 -4.096 9.548 5.690 1.00 0.00 O ATOM 0 H SER A 21 -5.222 7.457 4.352 1.00 0.00 H new ATOM 0 HA SER A 21 -5.337 9.723 2.602 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.118 10.993 4.622 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.065 9.586 5.062 1.00 0.00 H new ATOM 0 HG SER A 21 -4.311 9.965 6.550 1.00 0.00 H new ATOM 317 N GLU A 22 -2.788 10.700 3.272 1.00 0.00 N ATOM 318 CA GLU A 22 -1.387 11.019 3.013 1.00 0.00 C ATOM 319 C GLU A 22 -0.541 10.768 4.262 1.00 0.00 C ATOM 320 O GLU A 22 0.171 11.652 4.744 1.00 0.00 O ATOM 321 CB GLU A 22 -1.244 12.482 2.584 1.00 0.00 C ATOM 322 CG GLU A 22 -1.587 12.614 1.098 1.00 0.00 C ATOM 323 CD GLU A 22 -3.056 12.990 0.946 1.00 0.00 C ATOM 324 OE1 GLU A 22 -3.518 13.818 1.714 1.00 0.00 O ATOM 325 OE2 GLU A 22 -3.699 12.447 0.063 1.00 0.00 O ATOM 0 H GLU A 22 -3.350 11.485 3.601 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.034 10.374 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.905 13.113 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.226 12.827 2.765 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.957 13.373 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.386 11.675 0.583 1.00 0.00 H new ATOM 332 N GLU A 23 -0.623 9.545 4.779 1.00 0.00 N ATOM 333 CA GLU A 23 0.140 9.176 5.967 1.00 0.00 C ATOM 334 C GLU A 23 1.209 8.151 5.605 1.00 0.00 C ATOM 335 O GLU A 23 2.407 8.416 5.714 1.00 0.00 O ATOM 336 CB GLU A 23 -0.781 8.582 7.035 1.00 0.00 C ATOM 337 CG GLU A 23 -0.238 8.918 8.425 1.00 0.00 C ATOM 338 CD GLU A 23 -0.841 10.235 8.902 1.00 0.00 C ATOM 339 OE1 GLU A 23 -1.960 10.210 9.386 1.00 0.00 O ATOM 340 OE2 GLU A 23 -0.174 11.249 8.776 1.00 0.00 O ATOM 0 H GLU A 23 -1.205 8.799 4.398 1.00 0.00 H new ATOM 0 HA GLU A 23 0.612 10.076 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.790 8.979 6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.848 7.501 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.482 8.119 9.125 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.849 8.994 8.394 1.00 0.00 H new ATOM 347 N SER A 24 0.760 6.980 5.162 1.00 0.00 N ATOM 348 CA SER A 24 1.685 5.920 4.774 1.00 0.00 C ATOM 349 C SER A 24 2.417 6.300 3.491 1.00 0.00 C ATOM 350 O SER A 24 3.564 5.913 3.274 1.00 0.00 O ATOM 351 CB SER A 24 0.933 4.608 4.550 1.00 0.00 C ATOM 352 OG SER A 24 0.042 4.386 5.635 1.00 0.00 O ATOM 0 H SER A 24 -0.227 6.743 5.063 1.00 0.00 H new ATOM 0 HA SER A 24 2.407 5.789 5.580 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.379 4.649 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.638 3.781 4.468 1.00 0.00 H new ATOM 0 HG SER A 24 -0.363 3.498 5.549 1.00 0.00 H new ATOM 358 N LEU A 25 1.735 7.066 2.639 1.00 0.00 N ATOM 359 CA LEU A 25 2.321 7.501 1.375 1.00 0.00 C ATOM 360 C LEU A 25 3.582 8.326 1.624 1.00 0.00 C ATOM 361 O LEU A 25 4.562 8.226 0.886 1.00 0.00 O ATOM 362 CB LEU A 25 1.314 8.347 0.597 1.00 0.00 C ATOM 363 CG LEU A 25 0.190 7.573 -0.103 1.00 0.00 C ATOM 364 CD1 LEU A 25 0.762 6.804 -1.294 1.00 0.00 C ATOM 365 CD2 LEU A 25 -0.458 6.586 0.875 1.00 0.00 C ATOM 0 H LEU A 25 0.783 7.395 2.801 1.00 0.00 H new ATOM 0 HA LEU A 25 2.582 6.615 0.796 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.863 9.063 1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.855 8.923 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.563 8.280 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.038 6.255 -1.790 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.212 7.505 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.521 6.104 -0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.255 6.042 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.293 5.881 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.874 7.133 1.722 1.00 0.00 H new ATOM 377 N ASN A 26 3.543 9.141 2.675 1.00 0.00 N ATOM 378 CA ASN A 26 4.690 9.981 3.016 1.00 0.00 C ATOM 379 C ASN A 26 5.897 9.114 3.357 1.00 0.00 C ATOM 380 O ASN A 26 7.027 9.421 2.979 1.00 0.00 O ATOM 381 CB ASN A 26 4.361 10.874 4.215 1.00 0.00 C ATOM 382 CG ASN A 26 5.460 11.917 4.388 1.00 0.00 C ATOM 383 OD1 ASN A 26 6.606 11.691 3.997 1.00 0.00 O ATOM 384 ND2 ASN A 26 5.178 13.056 4.957 1.00 0.00 N ATOM 0 H ASN A 26 2.742 9.238 3.298 1.00 0.00 H new ATOM 0 HA ASN A 26 4.922 10.605 2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.400 11.365 4.064 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.272 10.270 5.118 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.906 13.760 5.078 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.229 13.243 5.281 1.00 0.00 H new ATOM 391 N LYS A 27 5.642 8.025 4.077 1.00 0.00 N ATOM 392 CA LYS A 27 6.713 7.111 4.467 1.00 0.00 C ATOM 393 C LYS A 27 7.389 6.519 3.230 1.00 0.00 C ATOM 394 O LYS A 27 8.577 6.201 3.248 1.00 0.00 O ATOM 395 CB LYS A 27 6.160 5.973 5.326 1.00 0.00 C ATOM 396 CG LYS A 27 5.940 6.473 6.756 1.00 0.00 C ATOM 397 CD LYS A 27 5.550 5.298 7.655 1.00 0.00 C ATOM 398 CE LYS A 27 4.664 5.802 8.796 1.00 0.00 C ATOM 399 NZ LYS A 27 5.473 6.168 9.994 1.00 0.00 N ATOM 0 H LYS A 27 4.713 7.755 4.400 1.00 0.00 H new ATOM 0 HA LYS A 27 7.444 7.678 5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.221 5.611 4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.854 5.133 5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.848 6.945 7.131 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.157 7.231 6.771 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.020 4.543 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.444 4.822 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.095 6.669 8.461 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.941 5.031 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.842 6.506 10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.996 5.334 10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.145 6.921 9.742 1.00 0.00 H new ATOM 413 N VAL A 28 6.614 6.376 2.156 1.00 0.00 N ATOM 414 CA VAL A 28 7.144 5.821 0.911 1.00 0.00 C ATOM 415 C VAL A 28 8.289 6.682 0.382 1.00 0.00 C ATOM 416 O VAL A 28 9.205 6.184 -0.273 1.00 0.00 O ATOM 417 CB VAL A 28 6.046 5.742 -0.153 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.565 4.977 -1.371 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.829 5.014 0.422 1.00 0.00 C ATOM 0 H VAL A 28 5.628 6.633 2.122 1.00 0.00 H new ATOM 0 HA VAL A 28 7.515 4.819 1.125 1.00 0.00 H new ATOM 0 HB VAL A 28 5.761 6.751 -0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.782 4.922 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.432 5.494 -1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.852 3.969 -1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.047 4.958 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.116 4.006 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.455 5.559 1.289 1.00 0.00 H new ATOM 429 N ARG A 29 8.228 7.981 0.671 1.00 0.00 N ATOM 430 CA ARG A 29 9.267 8.908 0.218 1.00 0.00 C ATOM 431 C ARG A 29 10.641 8.466 0.718 1.00 0.00 C ATOM 432 O ARG A 29 11.659 8.696 0.064 1.00 0.00 O ATOM 433 CB ARG A 29 8.983 10.321 0.731 1.00 0.00 C ATOM 434 CG ARG A 29 7.702 10.852 0.084 1.00 0.00 C ATOM 435 CD ARG A 29 8.017 11.380 -1.316 1.00 0.00 C ATOM 436 NE ARG A 29 6.814 11.916 -1.948 1.00 0.00 N ATOM 437 CZ ARG A 29 6.655 11.870 -3.267 1.00 0.00 C ATOM 438 NH1 ARG A 29 6.366 10.739 -3.851 1.00 0.00 N ATOM 439 NH2 ARG A 29 6.788 12.955 -3.979 1.00 0.00 N ATOM 0 H ARG A 29 7.479 8.413 1.211 1.00 0.00 H new ATOM 0 HA ARG A 29 9.262 8.907 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.878 10.311 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.820 10.979 0.498 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.956 10.059 0.026 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.275 11.647 0.696 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.779 12.157 -1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.429 10.578 -1.928 1.00 0.00 H new ATOM 0 HE ARG A 29 6.085 12.332 -1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.262 9.890 -3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.244 10.704 -4.863 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.014 13.839 -3.524 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.666 12.919 -4.991 1.00 0.00 H new ATOM 453 N ASN A 30 10.656 7.827 1.884 1.00 0.00 N ATOM 454 CA ASN A 30 11.909 7.352 2.465 1.00 0.00 C ATOM 455 C ASN A 30 11.964 5.828 2.424 1.00 0.00 C ATOM 456 O ASN A 30 10.964 5.162 2.154 1.00 0.00 O ATOM 457 CB ASN A 30 12.037 7.816 3.917 1.00 0.00 C ATOM 458 CG ASN A 30 11.971 9.339 3.973 1.00 0.00 C ATOM 459 OD1 ASN A 30 12.979 10.017 3.776 1.00 0.00 O ATOM 460 ND2 ASN A 30 10.833 9.921 4.230 1.00 0.00 N ATOM 0 H ASN A 30 9.825 7.627 2.441 1.00 0.00 H new ATOM 0 HA ASN A 30 12.731 7.765 1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.238 7.385 4.519 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.979 7.467 4.340 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.778 10.939 4.268 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.998 9.359 4.393 1.00 0.00 H new ATOM 467 N ARG A 31 13.146 5.283 2.696 1.00 0.00 N ATOM 468 CA ARG A 31 13.323 3.833 2.687 1.00 0.00 C ATOM 469 C ARG A 31 12.715 3.216 3.943 1.00 0.00 C ATOM 470 O ARG A 31 13.414 2.934 4.918 1.00 0.00 O ATOM 471 CB ARG A 31 14.809 3.475 2.622 1.00 0.00 C ATOM 472 CG ARG A 31 15.406 4.008 1.317 1.00 0.00 C ATOM 473 CD ARG A 31 16.921 3.802 1.323 1.00 0.00 C ATOM 474 NE ARG A 31 17.604 5.014 1.769 1.00 0.00 N ATOM 475 CZ ARG A 31 18.324 5.745 0.922 1.00 0.00 C ATOM 476 NH1 ARG A 31 17.847 6.039 -0.255 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.509 6.167 1.270 1.00 0.00 N ATOM 0 H ARG A 31 13.986 5.815 2.923 1.00 0.00 H new ATOM 0 HA ARG A 31 12.818 3.437 1.806 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.335 3.902 3.476 1.00 0.00 H new ATOM 0 HB3 ARG A 31 14.936 2.394 2.678 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.962 3.492 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.173 5.067 1.205 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.178 2.971 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 31 17.261 3.534 0.323 1.00 0.00 H new ATOM 0 HE ARG A 31 17.528 5.304 2.744 1.00 0.00 H new ATOM 0 HH11 ARG A 31 16.921 5.709 -0.527 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.400 6.599 -0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.882 5.936 2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.062 6.727 0.621 1.00 0.00 H new ATOM 491 N GLU A 32 11.402 3.010 3.908 1.00 0.00 N ATOM 492 CA GLU A 32 10.699 2.425 5.046 1.00 0.00 C ATOM 493 C GLU A 32 9.513 1.593 4.569 1.00 0.00 C ATOM 494 O GLU A 32 8.438 2.122 4.287 1.00 0.00 O ATOM 495 CB GLU A 32 10.192 3.522 5.985 1.00 0.00 C ATOM 496 CG GLU A 32 11.370 4.114 6.762 1.00 0.00 C ATOM 497 CD GLU A 32 10.848 4.885 7.969 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.645 4.265 9.001 1.00 0.00 O ATOM 499 OE2 GLU A 32 10.656 6.083 7.846 1.00 0.00 O ATOM 0 H GLU A 32 10.807 3.237 3.111 1.00 0.00 H new ATOM 0 HA GLU A 32 11.401 1.785 5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.691 4.303 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.456 3.112 6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.041 3.319 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.949 4.775 6.117 1.00 0.00 H new ATOM 506 N GLU A 33 9.724 0.283 4.481 1.00 0.00 N ATOM 507 CA GLU A 33 8.667 -0.622 4.034 1.00 0.00 C ATOM 508 C GLU A 33 7.472 -0.562 4.983 1.00 0.00 C ATOM 509 O GLU A 33 7.529 -1.058 6.108 1.00 0.00 O ATOM 510 CB GLU A 33 9.184 -2.061 3.976 1.00 0.00 C ATOM 511 CG GLU A 33 9.812 -2.323 2.605 1.00 0.00 C ATOM 512 CD GLU A 33 8.711 -2.525 1.571 1.00 0.00 C ATOM 513 OE1 GLU A 33 7.820 -3.317 1.829 1.00 0.00 O ATOM 514 OE2 GLU A 33 8.774 -1.884 0.535 1.00 0.00 O ATOM 0 H GLU A 33 10.607 -0.173 4.710 1.00 0.00 H new ATOM 0 HA GLU A 33 8.355 -0.306 3.038 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.920 -2.226 4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.366 -2.760 4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.446 -1.484 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.451 -3.205 2.649 1.00 0.00 H new ATOM 521 N VAL A 34 6.390 0.051 4.513 1.00 0.00 N ATOM 522 CA VAL A 34 5.182 0.173 5.324 1.00 0.00 C ATOM 523 C VAL A 34 4.076 -0.724 4.760 1.00 0.00 C ATOM 524 O VAL A 34 3.291 -1.307 5.507 1.00 0.00 O ATOM 525 CB VAL A 34 4.708 1.635 5.359 1.00 0.00 C ATOM 526 CG1 VAL A 34 4.363 2.111 3.944 1.00 0.00 C ATOM 527 CG2 VAL A 34 3.471 1.762 6.256 1.00 0.00 C ATOM 0 H VAL A 34 6.324 0.467 3.584 1.00 0.00 H new ATOM 0 HA VAL A 34 5.411 -0.145 6.341 1.00 0.00 H new ATOM 0 HB VAL A 34 5.511 2.254 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.028 3.148 3.980 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.246 2.037 3.310 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.568 1.488 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.141 2.801 6.276 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.671 1.134 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.720 1.441 7.267 1.00 0.00 H new ATOM 537 N ASP A 35 4.037 -0.823 3.432 1.00 0.00 N ATOM 538 CA ASP A 35 3.036 -1.647 2.753 1.00 0.00 C ATOM 539 C ASP A 35 1.622 -1.126 3.026 1.00 0.00 C ATOM 540 O ASP A 35 1.040 -0.427 2.196 1.00 0.00 O ATOM 541 CB ASP A 35 3.144 -3.109 3.202 1.00 0.00 C ATOM 542 CG ASP A 35 4.438 -3.712 2.663 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.484 -3.139 2.915 1.00 0.00 O ATOM 544 OD2 ASP A 35 4.361 -4.739 2.009 1.00 0.00 O ATOM 0 H ASP A 35 4.685 -0.345 2.806 1.00 0.00 H new ATOM 0 HA ASP A 35 3.229 -1.589 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.128 -3.169 4.290 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.287 -3.676 2.839 1.00 0.00 H new ATOM 549 N ASP A 36 1.075 -1.473 4.193 1.00 0.00 N ATOM 550 CA ASP A 36 -0.274 -1.036 4.563 1.00 0.00 C ATOM 551 C ASP A 36 -1.312 -1.609 3.590 1.00 0.00 C ATOM 552 O ASP A 36 -1.043 -1.750 2.397 1.00 0.00 O ATOM 553 CB ASP A 36 -0.370 0.494 4.557 1.00 0.00 C ATOM 554 CG ASP A 36 -0.071 1.029 5.953 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.795 0.470 6.608 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.710 1.990 6.348 1.00 0.00 O ATOM 0 H ASP A 36 1.540 -2.050 4.893 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.478 -1.404 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.336 0.910 3.838 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.366 0.805 4.243 1.00 0.00 H new ATOM 561 N PRO A 37 -2.511 -1.954 4.088 1.00 0.00 N ATOM 562 CA PRO A 37 -3.576 -2.517 3.246 1.00 0.00 C ATOM 563 C PRO A 37 -4.231 -1.474 2.340 1.00 0.00 C ATOM 564 O PRO A 37 -4.288 -1.641 1.122 1.00 0.00 O ATOM 565 CB PRO A 37 -4.587 -3.067 4.250 1.00 0.00 C ATOM 566 CG PRO A 37 -4.372 -2.281 5.498 1.00 0.00 C ATOM 567 CD PRO A 37 -2.937 -1.832 5.493 1.00 0.00 C ATOM 0 HA PRO A 37 -3.185 -3.272 2.564 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.607 -2.952 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.429 -4.131 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.044 -1.424 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.583 -2.889 6.378 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.842 -0.806 5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.326 -2.453 6.147 1.00 0.00 H new ATOM 575 N LYS A 38 -4.727 -0.397 2.948 1.00 0.00 N ATOM 576 CA LYS A 38 -5.380 0.668 2.187 1.00 0.00 C ATOM 577 C LYS A 38 -4.435 1.240 1.132 1.00 0.00 C ATOM 578 O LYS A 38 -4.863 1.670 0.061 1.00 0.00 O ATOM 579 CB LYS A 38 -5.821 1.799 3.119 1.00 0.00 C ATOM 580 CG LYS A 38 -6.929 1.297 4.046 1.00 0.00 C ATOM 581 CD LYS A 38 -7.612 2.489 4.717 1.00 0.00 C ATOM 582 CE LYS A 38 -8.869 2.014 5.448 1.00 0.00 C ATOM 583 NZ LYS A 38 -9.596 3.152 6.080 1.00 0.00 N ATOM 0 H LYS A 38 -4.690 -0.239 3.955 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.251 0.236 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.973 2.151 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.178 2.647 2.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.658 0.719 3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.512 0.631 4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.928 2.965 5.420 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.874 3.239 3.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.529 1.504 4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.594 1.287 6.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.443 2.795 6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.974 3.623 6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.879 3.833 5.347 1.00 0.00 H new ATOM 597 N LEU A 39 -3.144 1.238 1.450 1.00 0.00 N ATOM 598 CA LEU A 39 -2.141 1.756 0.524 1.00 0.00 C ATOM 599 C LEU A 39 -2.072 0.887 -0.730 1.00 0.00 C ATOM 600 O LEU A 39 -2.097 1.387 -1.853 1.00 0.00 O ATOM 601 CB LEU A 39 -0.765 1.798 1.196 1.00 0.00 C ATOM 602 CG LEU A 39 0.053 3.064 0.935 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.390 2.971 1.673 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.311 3.203 -0.567 1.00 0.00 C ATOM 0 H LEU A 39 -2.770 0.888 2.332 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.430 2.768 0.240 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.901 1.689 2.272 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.188 0.937 0.859 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.500 3.933 1.293 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.972 3.873 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.209 2.871 2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.943 2.102 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.894 4.105 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.863 2.334 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.640 3.270 -1.095 1.00 0.00 H new ATOM 616 N LYS A 40 -1.981 -0.425 -0.521 1.00 0.00 N ATOM 617 CA LYS A 40 -1.906 -1.362 -1.639 1.00 0.00 C ATOM 618 C LYS A 40 -3.184 -1.308 -2.472 1.00 0.00 C ATOM 619 O LYS A 40 -3.141 -1.276 -3.702 1.00 0.00 O ATOM 620 CB LYS A 40 -1.705 -2.790 -1.127 1.00 0.00 C ATOM 621 CG LYS A 40 -0.289 -2.938 -0.567 1.00 0.00 C ATOM 622 CD LYS A 40 0.090 -4.419 -0.519 1.00 0.00 C ATOM 623 CE LYS A 40 1.188 -4.631 0.525 1.00 0.00 C ATOM 624 NZ LYS A 40 2.515 -4.173 0.022 1.00 0.00 N ATOM 0 H LYS A 40 -1.958 -0.859 0.402 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.058 -1.075 -2.260 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.439 -3.017 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.864 -3.503 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.419 -2.391 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.235 -2.506 0.432 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.784 -5.021 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.436 -4.749 -1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.936 -4.088 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.242 -5.687 0.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.148 -3.993 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.929 -4.909 -0.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.395 -3.298 -0.527 1.00 0.00 H new ATOM 638 N GLU A 41 -4.324 -1.301 -1.786 1.00 0.00 N ATOM 639 CA GLU A 41 -5.616 -1.255 -2.468 1.00 0.00 C ATOM 640 C GLU A 41 -5.760 0.039 -3.266 1.00 0.00 C ATOM 641 O GLU A 41 -6.226 0.033 -4.406 1.00 0.00 O ATOM 642 CB GLU A 41 -6.759 -1.339 -1.454 1.00 0.00 C ATOM 643 CG GLU A 41 -6.825 -2.753 -0.873 1.00 0.00 C ATOM 644 CD GLU A 41 -7.451 -2.702 0.517 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.366 -1.917 0.705 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.005 -3.449 1.373 1.00 0.00 O ATOM 0 H GLU A 41 -4.381 -1.326 -0.768 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.664 -2.107 -3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.605 -0.613 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.704 -1.088 -1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.413 -3.399 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.825 -3.182 -0.818 1.00 0.00 H new ATOM 653 N HIS A 42 -5.360 1.149 -2.650 1.00 0.00 N ATOM 654 CA HIS A 42 -5.450 2.460 -3.298 1.00 0.00 C ATOM 655 C HIS A 42 -4.746 2.457 -4.655 1.00 0.00 C ATOM 656 O HIS A 42 -5.323 2.843 -5.671 1.00 0.00 O ATOM 657 CB HIS A 42 -4.809 3.533 -2.416 1.00 0.00 C ATOM 658 CG HIS A 42 -5.253 4.894 -2.876 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.471 6.025 -2.696 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.392 5.323 -3.511 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.145 7.070 -3.213 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.322 6.696 -3.721 1.00 0.00 N ATOM 0 H HIS A 42 -4.972 1.170 -1.707 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.507 2.679 -3.445 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.092 3.379 -1.375 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.723 3.458 -2.465 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.217 4.690 -3.803 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.779 8.086 -3.216 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.020 7.290 -4.168 1.00 0.00 H new ATOM 670 N ALA A 43 -3.487 2.025 -4.656 1.00 0.00 N ATOM 671 CA ALA A 43 -2.701 1.983 -5.889 1.00 0.00 C ATOM 672 C ALA A 43 -3.372 1.101 -6.938 1.00 0.00 C ATOM 673 O ALA A 43 -3.381 1.423 -8.127 1.00 0.00 O ATOM 674 CB ALA A 43 -1.300 1.437 -5.610 1.00 0.00 C ATOM 0 H ALA A 43 -2.992 1.701 -3.825 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.632 3.002 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.728 1.412 -6.537 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.795 2.081 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.377 0.428 -5.204 1.00 0.00 H new ATOM 680 N PHE A 44 -3.928 -0.021 -6.487 1.00 0.00 N ATOM 681 CA PHE A 44 -4.590 -0.953 -7.398 1.00 0.00 C ATOM 682 C PHE A 44 -5.737 -0.272 -8.142 1.00 0.00 C ATOM 683 O PHE A 44 -6.002 -0.571 -9.306 1.00 0.00 O ATOM 684 CB PHE A 44 -5.135 -2.159 -6.627 1.00 0.00 C ATOM 685 CG PHE A 44 -5.595 -3.222 -7.599 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.744 -3.658 -8.625 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.876 -3.775 -7.471 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.175 -4.645 -9.520 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.305 -4.761 -8.367 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.455 -5.196 -9.391 1.00 0.00 C ATOM 0 H PHE A 44 -3.934 -0.305 -5.507 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.849 -1.289 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.363 -2.562 -5.971 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.965 -1.851 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.756 -3.233 -8.725 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.532 -3.441 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.520 -4.981 -10.310 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.293 -5.187 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.787 -5.957 -10.082 1.00 0.00 H new ATOM 700 N CYS A 45 -6.412 0.648 -7.460 1.00 0.00 N ATOM 701 CA CYS A 45 -7.527 1.366 -8.072 1.00 0.00 C ATOM 702 C CYS A 45 -7.046 2.173 -9.279 1.00 0.00 C ATOM 703 O CYS A 45 -7.793 2.394 -10.230 1.00 0.00 O ATOM 704 CB CYS A 45 -8.175 2.317 -7.055 1.00 0.00 C ATOM 705 SG CYS A 45 -9.634 1.534 -6.319 1.00 0.00 S ATOM 0 H CYS A 45 -6.211 0.912 -6.496 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.263 0.631 -8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.457 2.573 -6.276 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.460 3.248 -7.545 1.00 0.00 H new ATOM 710 N ILE A 46 -5.790 2.611 -9.226 1.00 0.00 N ATOM 711 CA ILE A 46 -5.217 3.395 -10.320 1.00 0.00 C ATOM 712 C ILE A 46 -4.456 2.466 -11.273 1.00 0.00 C ATOM 713 O ILE A 46 -4.381 2.718 -12.475 1.00 0.00 O ATOM 714 CB ILE A 46 -4.280 4.493 -9.762 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.116 5.574 -9.063 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.480 5.160 -10.893 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.748 5.009 -7.790 1.00 0.00 C ATOM 0 H ILE A 46 -5.155 2.439 -8.447 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.020 3.884 -10.871 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.590 4.024 -9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.486 6.429 -8.817 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.894 5.934 -9.736 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.829 5.928 -10.475 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.875 4.410 -11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.168 5.616 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.339 5.784 -7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.393 4.168 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.963 4.671 -7.113 1.00 0.00 H new ATOM 729 N LEU A 47 -3.898 1.390 -10.724 1.00 0.00 N ATOM 730 CA LEU A 47 -3.155 0.433 -11.538 1.00 0.00 C ATOM 731 C LEU A 47 -4.089 -0.225 -12.552 1.00 0.00 C ATOM 732 O LEU A 47 -3.805 -0.268 -13.749 1.00 0.00 O ATOM 733 CB LEU A 47 -2.518 -0.646 -10.648 1.00 0.00 C ATOM 734 CG LEU A 47 -0.997 -0.778 -10.758 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.624 -1.277 -12.156 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.347 0.586 -10.511 1.00 0.00 C ATOM 0 H LEU A 47 -3.945 1.161 -9.731 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.365 0.967 -12.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.772 -0.433 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.967 -1.608 -10.895 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.641 -1.490 -10.014 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.459 -1.370 -12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.085 -2.249 -12.330 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.980 -0.567 -12.903 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.736 0.492 -10.589 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.704 1.299 -11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.610 0.939 -9.514 1.00 0.00 H new ATOM 748 N LYS A 48 -5.208 -0.739 -12.051 1.00 0.00 N ATOM 749 CA LYS A 48 -6.189 -1.401 -12.907 1.00 0.00 C ATOM 750 C LYS A 48 -6.917 -0.383 -13.781 1.00 0.00 C ATOM 751 O LYS A 48 -7.261 -0.668 -14.929 1.00 0.00 O ATOM 752 CB LYS A 48 -7.217 -2.153 -12.058 1.00 0.00 C ATOM 753 CG LYS A 48 -8.113 -3.009 -12.962 1.00 0.00 C ATOM 754 CD LYS A 48 -9.560 -2.937 -12.468 1.00 0.00 C ATOM 755 CE LYS A 48 -10.091 -1.514 -12.645 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.581 -1.484 -12.638 1.00 0.00 N ATOM 0 H LYS A 48 -5.458 -0.711 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.655 -2.106 -13.544 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.708 -2.786 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.824 -1.445 -11.494 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.052 -2.656 -13.991 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.768 -4.043 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.180 -3.640 -13.024 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.612 -3.228 -11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.709 -0.880 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.722 -1.101 -13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.909 -0.505 -12.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.944 -2.070 -13.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.931 -1.856 -11.732 1.00 0.00 H new ATOM 770 N ARG A 49 -7.158 0.804 -13.228 1.00 0.00 N ATOM 771 CA ARG A 49 -7.857 1.847 -13.974 1.00 0.00 C ATOM 772 C ARG A 49 -6.958 2.435 -15.059 1.00 0.00 C ATOM 773 O ARG A 49 -7.396 2.678 -16.184 1.00 0.00 O ATOM 774 CB ARG A 49 -8.305 2.969 -13.036 1.00 0.00 C ATOM 775 CG ARG A 49 -9.582 2.541 -12.310 1.00 0.00 C ATOM 776 CD ARG A 49 -10.107 3.704 -11.467 1.00 0.00 C ATOM 777 NE ARG A 49 -11.112 3.237 -10.514 1.00 0.00 N ATOM 778 CZ ARG A 49 -12.411 3.323 -10.788 1.00 0.00 C ATOM 779 NH1 ARG A 49 -12.838 3.130 -12.006 1.00 0.00 N ATOM 780 NH2 ARG A 49 -13.261 3.600 -9.837 1.00 0.00 N ATOM 0 H ARG A 49 -6.884 1.065 -12.281 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.730 1.391 -14.440 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.519 3.190 -12.314 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -8.484 3.883 -13.603 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -10.337 2.233 -13.033 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.379 1.680 -11.674 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.282 4.174 -10.932 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.540 4.465 -12.117 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.812 2.839 -9.624 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -12.175 2.913 -12.750 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -13.834 3.196 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.929 3.750 -8.884 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -14.257 3.666 -10.047 1.00 0.00 H new ATOM 794 N ALA A 50 -5.695 2.663 -14.709 1.00 0.00 N ATOM 795 CA ALA A 50 -4.738 3.230 -15.661 1.00 0.00 C ATOM 796 C ALA A 50 -4.598 2.335 -16.892 1.00 0.00 C ATOM 797 O ALA A 50 -4.311 2.810 -17.990 1.00 0.00 O ATOM 798 CB ALA A 50 -3.365 3.389 -15.006 1.00 0.00 C ATOM 0 H ALA A 50 -5.311 2.467 -13.784 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.115 4.206 -15.968 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.665 3.812 -15.727 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.447 4.054 -14.146 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.004 2.415 -14.678 1.00 0.00 H new ATOM 804 N GLY A 51 -4.802 1.035 -16.696 1.00 0.00 N ATOM 805 CA GLY A 51 -4.694 0.084 -17.795 1.00 0.00 C ATOM 806 C GLY A 51 -3.360 -0.655 -17.744 1.00 0.00 C ATOM 807 O GLY A 51 -2.813 -1.049 -18.774 1.00 0.00 O ATOM 0 H GLY A 51 -5.041 0.620 -15.795 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.514 -0.633 -17.744 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.788 0.608 -18.746 1.00 0.00 H new ATOM 811 N PHE A 52 -2.846 -0.840 -16.531 1.00 0.00 N ATOM 812 CA PHE A 52 -1.577 -1.537 -16.349 1.00 0.00 C ATOM 813 C PHE A 52 -1.826 -3.013 -16.062 1.00 0.00 C ATOM 814 O PHE A 52 -1.059 -3.883 -16.474 1.00 0.00 O ATOM 815 CB PHE A 52 -0.798 -0.929 -15.181 1.00 0.00 C ATOM 816 CG PHE A 52 0.020 0.241 -15.673 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.043 0.037 -16.606 1.00 0.00 C ATOM 818 CD2 PHE A 52 -0.247 1.530 -15.197 1.00 0.00 C ATOM 819 CE1 PHE A 52 1.801 1.123 -17.061 1.00 0.00 C ATOM 820 CE2 PHE A 52 0.510 2.615 -15.652 1.00 0.00 C ATOM 821 CZ PHE A 52 1.534 2.411 -16.584 1.00 0.00 C ATOM 0 H PHE A 52 -3.284 -0.520 -15.667 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.996 -1.434 -17.266 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.487 -0.602 -14.402 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.146 -1.680 -14.735 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.248 -0.957 -16.975 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -1.038 1.687 -14.478 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.592 0.966 -17.780 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.304 3.609 -15.284 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.119 3.248 -16.935 1.00 0.00 H new ATOM 831 N ILE A 53 -2.915 -3.281 -15.348 1.00 0.00 N ATOM 832 CA ILE A 53 -3.276 -4.651 -15.002 1.00 0.00 C ATOM 833 C ILE A 53 -4.758 -4.889 -15.301 1.00 0.00 C ATOM 834 O ILE A 53 -5.575 -3.972 -15.215 1.00 0.00 O ATOM 835 CB ILE A 53 -2.981 -4.913 -13.516 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.257 -6.381 -13.186 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.856 -4.016 -12.633 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.466 -6.775 -11.938 1.00 0.00 C ATOM 0 H ILE A 53 -3.560 -2.572 -14.999 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.682 -5.340 -15.602 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.933 -4.686 -13.322 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.323 -6.534 -13.018 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.972 -7.014 -14.026 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.636 -4.213 -11.584 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.648 -2.970 -12.858 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.907 -4.227 -12.829 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.660 -7.821 -11.699 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.401 -6.637 -12.124 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.773 -6.149 -11.100 1.00 0.00 H new ATOM 850 N ASP A 54 -5.096 -6.125 -15.665 1.00 0.00 N ATOM 851 CA ASP A 54 -6.486 -6.450 -15.985 1.00 0.00 C ATOM 852 C ASP A 54 -7.236 -6.938 -14.748 1.00 0.00 C ATOM 853 O ASP A 54 -6.646 -7.196 -13.700 1.00 0.00 O ATOM 854 CB ASP A 54 -6.559 -7.526 -17.072 1.00 0.00 C ATOM 855 CG ASP A 54 -5.698 -8.722 -16.681 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.615 -9.008 -15.498 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.133 -9.335 -17.572 1.00 0.00 O ATOM 0 H ASP A 54 -4.442 -6.904 -15.745 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.956 -5.536 -16.349 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.593 -7.842 -17.213 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.218 -7.117 -18.023 1.00 0.00 H new ATOM 862 N ALA A 55 -8.555 -7.054 -14.894 1.00 0.00 N ATOM 863 CA ALA A 55 -9.417 -7.505 -13.801 1.00 0.00 C ATOM 864 C ALA A 55 -8.967 -8.852 -13.226 1.00 0.00 C ATOM 865 O ALA A 55 -9.340 -9.209 -12.108 1.00 0.00 O ATOM 866 CB ALA A 55 -10.861 -7.638 -14.287 1.00 0.00 C ATOM 0 H ALA A 55 -9.051 -6.842 -15.760 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.347 -6.754 -13.014 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.492 -7.974 -13.464 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.215 -6.671 -14.644 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.906 -8.364 -15.099 1.00 0.00 H new ATOM 872 N SER A 56 -8.180 -9.607 -13.993 1.00 0.00 N ATOM 873 CA SER A 56 -7.721 -10.916 -13.527 1.00 0.00 C ATOM 874 C SER A 56 -6.430 -10.785 -12.721 1.00 0.00 C ATOM 875 O SER A 56 -6.148 -11.603 -11.846 1.00 0.00 O ATOM 876 CB SER A 56 -7.473 -11.849 -14.712 1.00 0.00 C ATOM 877 OG SER A 56 -8.706 -12.431 -15.117 1.00 0.00 O ATOM 0 H SER A 56 -7.852 -9.342 -14.922 1.00 0.00 H new ATOM 0 HA SER A 56 -8.502 -11.332 -12.890 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.030 -11.295 -15.539 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.764 -12.628 -14.434 1.00 0.00 H new ATOM 0 HG SER A 56 -8.551 -13.029 -15.878 1.00 0.00 H new ATOM 883 N GLY A 57 -5.657 -9.742 -13.011 1.00 0.00 N ATOM 884 CA GLY A 57 -4.412 -9.515 -12.290 1.00 0.00 C ATOM 885 C GLY A 57 -3.191 -9.840 -13.150 1.00 0.00 C ATOM 886 O GLY A 57 -2.116 -10.140 -12.630 1.00 0.00 O ATOM 0 H GLY A 57 -5.868 -9.050 -13.730 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.363 -8.475 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.396 -10.129 -11.390 1.00 0.00 H new ATOM 890 N GLU A 58 -3.359 -9.767 -14.467 1.00 0.00 N ATOM 891 CA GLU A 58 -2.253 -10.046 -15.379 1.00 0.00 C ATOM 892 C GLU A 58 -1.389 -8.799 -15.542 1.00 0.00 C ATOM 893 O GLU A 58 -1.834 -7.788 -16.086 1.00 0.00 O ATOM 894 CB GLU A 58 -2.779 -10.474 -16.750 1.00 0.00 C ATOM 895 CG GLU A 58 -1.783 -11.433 -17.405 1.00 0.00 C ATOM 896 CD GLU A 58 -2.523 -12.354 -18.369 1.00 0.00 C ATOM 897 OE1 GLU A 58 -3.440 -11.884 -19.020 1.00 0.00 O ATOM 898 OE2 GLU A 58 -2.159 -13.517 -18.442 1.00 0.00 O ATOM 0 H GLU A 58 -4.238 -9.521 -14.923 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.658 -10.856 -14.958 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.750 -10.959 -16.643 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.927 -9.599 -17.383 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.017 -10.870 -17.939 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.273 -12.021 -16.642 1.00 0.00 H new ATOM 905 N PHE A 59 -0.154 -8.876 -15.053 1.00 0.00 N ATOM 906 CA PHE A 59 0.756 -7.735 -15.142 1.00 0.00 C ATOM 907 C PHE A 59 1.135 -7.445 -16.592 1.00 0.00 C ATOM 908 O PHE A 59 1.229 -8.350 -17.422 1.00 0.00 O ATOM 909 CB PHE A 59 2.035 -7.980 -14.327 1.00 0.00 C ATOM 910 CG PHE A 59 2.611 -9.343 -14.644 1.00 0.00 C ATOM 911 CD1 PHE A 59 3.214 -9.579 -15.886 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.550 -10.368 -13.690 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.751 -10.840 -16.174 1.00 0.00 C ATOM 914 CE2 PHE A 59 3.087 -11.627 -13.980 1.00 0.00 C ATOM 915 CZ PHE A 59 3.688 -11.863 -15.222 1.00 0.00 C ATOM 0 H PHE A 59 0.236 -9.701 -14.598 1.00 0.00 H new ATOM 0 HA PHE A 59 0.230 -6.874 -14.730 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.770 -7.207 -14.551 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.814 -7.911 -13.262 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.265 -8.789 -16.621 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.088 -10.186 -12.731 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.214 -11.023 -17.132 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.038 -12.417 -13.245 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.103 -12.835 -15.445 1.00 0.00 H new ATOM 925 N GLN A 60 1.359 -6.163 -16.878 1.00 0.00 N ATOM 926 CA GLN A 60 1.740 -5.735 -18.223 1.00 0.00 C ATOM 927 C GLN A 60 3.010 -4.895 -18.147 1.00 0.00 C ATOM 928 O GLN A 60 2.963 -3.665 -18.119 1.00 0.00 O ATOM 929 CB GLN A 60 0.625 -4.903 -18.859 1.00 0.00 C ATOM 930 CG GLN A 60 -0.645 -5.749 -18.968 1.00 0.00 C ATOM 931 CD GLN A 60 -0.578 -6.609 -20.225 1.00 0.00 C ATOM 932 OE1 GLN A 60 0.507 -6.946 -20.698 1.00 0.00 O ATOM 933 NE2 GLN A 60 -1.686 -6.988 -20.801 1.00 0.00 N ATOM 0 H GLN A 60 1.284 -5.405 -16.199 1.00 0.00 H new ATOM 0 HA GLN A 60 1.913 -6.621 -18.835 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.432 -4.014 -18.258 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.932 -4.559 -19.847 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.750 -6.382 -18.087 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.523 -5.104 -19.003 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.586 -6.709 -20.409 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.652 -7.563 -21.643 1.00 0.00 H new ATOM 942 N LEU A 61 4.147 -5.581 -18.093 1.00 0.00 N ATOM 943 CA LEU A 61 5.440 -4.908 -17.991 1.00 0.00 C ATOM 944 C LEU A 61 5.815 -4.204 -19.292 1.00 0.00 C ATOM 945 O LEU A 61 6.573 -3.234 -19.286 1.00 0.00 O ATOM 946 CB LEU A 61 6.528 -5.923 -17.641 1.00 0.00 C ATOM 947 CG LEU A 61 6.144 -6.947 -16.568 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.361 -7.806 -16.219 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.663 -6.212 -15.315 1.00 0.00 C ATOM 0 H LEU A 61 4.201 -6.599 -18.118 1.00 0.00 H new ATOM 0 HA LEU A 61 5.358 -4.157 -17.206 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.808 -6.459 -18.548 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.412 -5.382 -17.304 1.00 0.00 H new ATOM 0 HG LEU A 61 5.347 -7.587 -16.946 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.086 -8.534 -15.456 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.705 -8.329 -17.111 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.160 -7.168 -15.841 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.389 -6.938 -14.550 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.462 -5.573 -14.939 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.795 -5.601 -15.562 1.00 0.00 H new ATOM 961 N ASP A 62 5.287 -4.695 -20.410 1.00 0.00 N ATOM 962 CA ASP A 62 5.592 -4.092 -21.706 1.00 0.00 C ATOM 963 C ASP A 62 5.180 -2.619 -21.735 1.00 0.00 C ATOM 964 O ASP A 62 5.766 -1.814 -22.458 1.00 0.00 O ATOM 965 CB ASP A 62 4.867 -4.835 -22.830 1.00 0.00 C ATOM 966 CG ASP A 62 5.583 -6.151 -23.113 1.00 0.00 C ATOM 967 OD1 ASP A 62 5.819 -6.889 -22.170 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.885 -6.401 -24.268 1.00 0.00 O ATOM 0 H ASP A 62 4.656 -5.496 -20.447 1.00 0.00 H new ATOM 0 HA ASP A 62 6.669 -4.165 -21.857 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.832 -5.025 -22.546 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.843 -4.221 -23.730 1.00 0.00 H new ATOM 973 N HIS A 63 4.171 -2.276 -20.940 1.00 0.00 N ATOM 974 CA HIS A 63 3.695 -0.896 -20.884 1.00 0.00 C ATOM 975 C HIS A 63 4.382 -0.143 -19.746 1.00 0.00 C ATOM 976 O HIS A 63 4.625 1.060 -19.837 1.00 0.00 O ATOM 977 CB HIS A 63 2.181 -0.860 -20.666 1.00 0.00 C ATOM 978 CG HIS A 63 1.483 -1.260 -21.936 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.763 -0.661 -23.154 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.513 -2.198 -22.195 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.977 -1.239 -24.081 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.196 -2.183 -23.550 1.00 0.00 N ATOM 0 H HIS A 63 3.672 -2.925 -20.332 1.00 0.00 H new ATOM 0 HA HIS A 63 3.934 -0.417 -21.833 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.903 -1.536 -19.857 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.869 0.141 -20.367 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.065 -2.848 -21.459 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.978 -0.972 -25.127 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.486 -2.767 -24.033 1.00 0.00 H new ATOM 990 N ILE A 64 4.691 -0.869 -18.674 1.00 0.00 N ATOM 991 CA ILE A 64 5.350 -0.266 -17.515 1.00 0.00 C ATOM 992 C ILE A 64 6.777 0.153 -17.865 1.00 0.00 C ATOM 993 O ILE A 64 7.188 1.284 -17.606 1.00 0.00 O ATOM 994 CB ILE A 64 5.391 -1.265 -16.350 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.969 -1.718 -16.019 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.010 -0.607 -15.111 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.016 -3.067 -15.296 1.00 0.00 C ATOM 0 H ILE A 64 4.498 -1.866 -18.582 1.00 0.00 H new ATOM 0 HA ILE A 64 4.780 0.615 -17.222 1.00 0.00 H new ATOM 0 HB ILE A 64 5.997 -2.123 -16.641 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.476 -0.975 -15.392 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.382 -1.804 -16.933 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.034 -1.325 -14.291 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.025 -0.284 -15.340 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.411 0.256 -14.820 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.002 -3.389 -15.060 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.492 -3.808 -15.939 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.588 -2.966 -14.374 1.00 0.00 H new ATOM 1009 N LYS A 65 7.532 -0.778 -18.445 1.00 0.00 N ATOM 1010 CA LYS A 65 8.921 -0.506 -18.814 1.00 0.00 C ATOM 1011 C LYS A 65 9.020 0.720 -19.727 1.00 0.00 C ATOM 1012 O LYS A 65 9.890 1.572 -19.554 1.00 0.00 O ATOM 1013 CB LYS A 65 9.536 -1.725 -19.516 1.00 0.00 C ATOM 1014 CG LYS A 65 8.805 -2.010 -20.835 1.00 0.00 C ATOM 1015 CD LYS A 65 9.092 -3.447 -21.284 1.00 0.00 C ATOM 1016 CE LYS A 65 10.592 -3.624 -21.539 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.849 -4.638 -22.600 1.00 0.00 N ATOM 0 H LYS A 65 7.210 -1.720 -18.668 1.00 0.00 H new ATOM 0 HA LYS A 65 9.475 -0.301 -17.898 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.593 -1.545 -19.711 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.476 -2.596 -18.864 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.732 -1.866 -20.706 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.131 -1.307 -21.602 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.759 -4.149 -20.520 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.531 -3.673 -22.191 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.027 -2.669 -21.834 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.086 -3.928 -20.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.874 -4.734 -22.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.455 -5.555 -22.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.398 -4.335 -23.487 1.00 0.00 H new ATOM 1031 N THR A 66 8.115 0.793 -20.697 1.00 0.00 N ATOM 1032 CA THR A 66 8.104 1.914 -21.634 1.00 0.00 C ATOM 1033 C THR A 66 7.859 3.230 -20.900 1.00 0.00 C ATOM 1034 O THR A 66 8.484 4.247 -21.195 1.00 0.00 O ATOM 1035 CB THR A 66 7.009 1.720 -22.685 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.044 0.382 -23.163 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.242 2.686 -23.848 1.00 0.00 C ATOM 0 H THR A 66 7.386 0.098 -20.856 1.00 0.00 H new ATOM 0 HA THR A 66 9.078 1.950 -22.122 1.00 0.00 H new ATOM 0 HB THR A 66 6.035 1.920 -22.238 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.420 -0.167 -22.644 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.462 2.548 -24.597 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.215 3.712 -23.480 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.215 2.487 -24.297 1.00 0.00 H new ATOM 1045 N LYS A 67 6.933 3.197 -19.945 1.00 0.00 N ATOM 1046 CA LYS A 67 6.594 4.394 -19.176 1.00 0.00 C ATOM 1047 C LYS A 67 7.784 4.876 -18.351 1.00 0.00 C ATOM 1048 O LYS A 67 8.130 6.057 -18.369 1.00 0.00 O ATOM 1049 CB LYS A 67 5.421 4.108 -18.237 1.00 0.00 C ATOM 1050 CG LYS A 67 4.143 3.930 -19.058 1.00 0.00 C ATOM 1051 CD LYS A 67 3.623 5.300 -19.498 1.00 0.00 C ATOM 1052 CE LYS A 67 2.621 5.821 -18.468 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.777 6.912 -19.035 1.00 0.00 N ATOM 0 H LYS A 67 6.407 2.362 -19.686 1.00 0.00 H new ATOM 0 HA LYS A 67 6.318 5.173 -19.886 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.619 3.209 -17.653 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.300 4.928 -17.529 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.342 3.308 -19.930 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.386 3.415 -18.466 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.452 6.000 -19.600 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.148 5.223 -20.476 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.984 5.003 -18.132 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.155 6.190 -17.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.107 7.244 -18.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.385 7.702 -19.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.250 6.552 -19.856 1.00 0.00 H new ATOM 1067 N PHE A 68 8.403 3.954 -17.619 1.00 0.00 N ATOM 1068 CA PHE A 68 9.548 4.305 -16.784 1.00 0.00 C ATOM 1069 C PHE A 68 10.736 4.738 -17.644 1.00 0.00 C ATOM 1070 O PHE A 68 11.582 5.515 -17.206 1.00 0.00 O ATOM 1071 CB PHE A 68 9.962 3.115 -15.917 1.00 0.00 C ATOM 1072 CG PHE A 68 9.213 3.160 -14.607 1.00 0.00 C ATOM 1073 CD1 PHE A 68 9.313 4.286 -13.782 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.417 2.076 -14.217 1.00 0.00 C ATOM 1075 CE1 PHE A 68 8.618 4.329 -12.568 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.722 2.119 -13.003 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.823 3.245 -12.178 1.00 0.00 C ATOM 0 H PHE A 68 8.136 2.970 -17.586 1.00 0.00 H new ATOM 0 HA PHE A 68 9.251 5.135 -16.143 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.749 2.181 -16.437 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.036 3.141 -15.735 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.927 5.122 -14.082 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.339 1.207 -14.853 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.695 5.199 -11.932 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.108 1.283 -12.703 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.288 3.278 -11.241 1.00 0.00 H new ATOM 1087 N LYS A 69 10.793 4.225 -18.872 1.00 0.00 N ATOM 1088 CA LYS A 69 11.886 4.565 -19.781 1.00 0.00 C ATOM 1089 C LYS A 69 11.717 5.981 -20.326 1.00 0.00 C ATOM 1090 O LYS A 69 12.569 6.847 -20.123 1.00 0.00 O ATOM 1091 CB LYS A 69 11.931 3.581 -20.954 1.00 0.00 C ATOM 1092 CG LYS A 69 12.869 2.413 -20.618 1.00 0.00 C ATOM 1093 CD LYS A 69 14.158 2.529 -21.438 1.00 0.00 C ATOM 1094 CE LYS A 69 15.045 1.314 -21.167 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.985 1.064 -22.296 1.00 0.00 N ATOM 0 H LYS A 69 10.103 3.580 -19.257 1.00 0.00 H new ATOM 0 HA LYS A 69 12.818 4.506 -19.218 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.929 3.206 -21.164 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.277 4.090 -21.854 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.103 2.417 -19.553 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.375 1.465 -20.832 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.922 2.590 -22.500 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.687 3.445 -21.176 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.611 1.472 -20.249 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.421 0.434 -21.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 16.573 0.233 -22.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.443 0.889 -23.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.596 1.895 -22.429 1.00 0.00 H new ATOM 1109 N GLU A 70 10.607 6.207 -21.031 1.00 0.00 N ATOM 1110 CA GLU A 70 10.329 7.521 -21.616 1.00 0.00 C ATOM 1111 C GLU A 70 10.381 8.618 -20.554 1.00 0.00 C ATOM 1112 O GLU A 70 10.932 9.696 -20.779 1.00 0.00 O ATOM 1113 CB GLU A 70 8.947 7.532 -22.275 1.00 0.00 C ATOM 1114 CG GLU A 70 7.887 7.120 -21.251 1.00 0.00 C ATOM 1115 CD GLU A 70 6.690 6.511 -21.972 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.907 5.757 -22.907 1.00 0.00 O ATOM 1117 OE2 GLU A 70 5.574 6.805 -21.579 1.00 0.00 O ATOM 0 H GLU A 70 9.891 5.503 -21.210 1.00 0.00 H new ATOM 0 HA GLU A 70 11.096 7.715 -22.366 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.726 8.526 -22.663 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.932 6.848 -23.124 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.306 6.400 -20.548 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.572 7.987 -20.670 1.00 0.00 H new ATOM 1124 N ASN A 71 9.805 8.328 -19.391 1.00 0.00 N ATOM 1125 CA ASN A 71 9.795 9.294 -18.297 1.00 0.00 C ATOM 1126 C ASN A 71 11.017 9.086 -17.403 1.00 0.00 C ATOM 1127 O ASN A 71 10.902 8.708 -16.236 1.00 0.00 O ATOM 1128 CB ASN A 71 8.519 9.147 -17.463 1.00 0.00 C ATOM 1129 CG ASN A 71 8.104 10.510 -16.919 1.00 0.00 C ATOM 1130 OD1 ASN A 71 8.953 11.346 -16.610 1.00 0.00 O ATOM 1131 ND2 ASN A 71 6.836 10.786 -16.784 1.00 0.00 N ATOM 0 H ASN A 71 9.344 7.442 -19.183 1.00 0.00 H new ATOM 0 HA ASN A 71 9.825 10.297 -18.723 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.719 8.729 -18.074 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.688 8.452 -16.641 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.548 11.695 -16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.133 10.093 -17.040 1.00 0.00 H new ATOM 1138 N SER A 72 12.193 9.335 -17.973 1.00 0.00 N ATOM 1139 CA SER A 72 13.440 9.169 -17.228 1.00 0.00 C ATOM 1140 C SER A 72 14.594 9.873 -17.936 1.00 0.00 C ATOM 1141 O SER A 72 15.430 10.516 -17.300 1.00 0.00 O ATOM 1142 CB SER A 72 13.785 7.688 -17.081 1.00 0.00 C ATOM 1143 OG SER A 72 14.947 7.554 -16.273 1.00 0.00 O ATOM 0 H SER A 72 12.310 9.649 -18.936 1.00 0.00 H new ATOM 0 HA SER A 72 13.295 9.612 -16.243 1.00 0.00 H new ATOM 0 HB2 SER A 72 12.950 7.151 -16.630 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.957 7.244 -18.061 1.00 0.00 H new ATOM 0 HG SER A 72 15.170 6.605 -16.176 1.00 0.00 H new ATOM 1149 N GLU A 73 14.640 9.736 -19.265 1.00 0.00 N ATOM 1150 CA GLU A 73 15.705 10.353 -20.068 1.00 0.00 C ATOM 1151 C GLU A 73 17.003 9.568 -19.909 1.00 0.00 C ATOM 1152 O GLU A 73 17.517 8.996 -20.871 1.00 0.00 O ATOM 1153 CB GLU A 73 15.948 11.815 -19.662 1.00 0.00 C ATOM 1154 CG GLU A 73 16.402 12.616 -20.883 1.00 0.00 C ATOM 1155 CD GLU A 73 17.918 12.520 -21.020 1.00 0.00 C ATOM 1156 OE1 GLU A 73 18.383 11.527 -21.556 1.00 0.00 O ATOM 1157 OE2 GLU A 73 18.592 13.440 -20.586 1.00 0.00 O ATOM 0 H GLU A 73 13.957 9.207 -19.807 1.00 0.00 H new ATOM 0 HA GLU A 73 15.381 10.334 -21.109 1.00 0.00 H new ATOM 0 HB2 GLU A 73 15.035 12.246 -19.251 1.00 0.00 H new ATOM 0 HB3 GLU A 73 16.705 11.865 -18.879 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.920 12.233 -21.782 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.101 13.658 -20.780 1.00 0.00 H new ATOM 1164 N HIS A 74 17.525 9.546 -18.685 1.00 0.00 N ATOM 1165 CA HIS A 74 18.763 8.822 -18.408 1.00 0.00 C ATOM 1166 C HIS A 74 18.464 7.516 -17.655 1.00 0.00 C ATOM 1167 O HIS A 74 18.693 7.421 -16.449 1.00 0.00 O ATOM 1168 CB HIS A 74 19.710 9.684 -17.569 1.00 0.00 C ATOM 1169 CG HIS A 74 20.376 10.703 -18.452 1.00 0.00 C ATOM 1170 ND1 HIS A 74 21.519 10.414 -19.181 1.00 0.00 N ATOM 1171 CD2 HIS A 74 20.071 12.012 -18.733 1.00 0.00 C ATOM 1172 CE1 HIS A 74 21.858 11.526 -19.860 1.00 0.00 C ATOM 1173 NE2 HIS A 74 21.008 12.530 -19.622 1.00 0.00 N ATOM 0 H HIS A 74 17.116 10.015 -17.877 1.00 0.00 H new ATOM 0 HA HIS A 74 19.238 8.587 -19.360 1.00 0.00 H new ATOM 0 HB2 HIS A 74 19.156 10.183 -16.774 1.00 0.00 H new ATOM 0 HB3 HIS A 74 20.461 9.057 -17.089 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.232 12.557 -18.326 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.712 11.598 -20.517 1.00 0.00 H new ATOM 0 HE2 HIS A 74 21.039 13.473 -20.009 1.00 0.00 H new ATOM 1181 N PRO A 75 17.953 6.493 -18.355 1.00 0.00 N ATOM 1182 CA PRO A 75 17.634 5.196 -17.733 1.00 0.00 C ATOM 1183 C PRO A 75 18.889 4.439 -17.307 1.00 0.00 C ATOM 1184 O PRO A 75 20.009 4.842 -17.622 1.00 0.00 O ATOM 1185 CB PRO A 75 16.897 4.432 -18.832 1.00 0.00 C ATOM 1186 CG PRO A 75 17.370 5.045 -20.103 1.00 0.00 C ATOM 1187 CD PRO A 75 17.638 6.489 -19.795 1.00 0.00 C ATOM 0 HA PRO A 75 17.047 5.318 -16.823 1.00 0.00 H new ATOM 0 HB2 PRO A 75 17.127 3.367 -18.796 1.00 0.00 H new ATOM 0 HB3 PRO A 75 15.817 4.528 -18.724 1.00 0.00 H new ATOM 0 HG2 PRO A 75 18.272 4.549 -20.463 1.00 0.00 H new ATOM 0 HG3 PRO A 75 16.618 4.947 -20.886 1.00 0.00 H new ATOM 0 HD2 PRO A 75 18.468 6.876 -20.386 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.771 7.112 -20.016 1.00 0.00 H new ATOM 1195 N GLU A 76 18.692 3.338 -16.587 1.00 0.00 N ATOM 1196 CA GLU A 76 19.822 2.537 -16.127 1.00 0.00 C ATOM 1197 C GLU A 76 19.515 1.044 -16.240 1.00 0.00 C ATOM 1198 O GLU A 76 20.319 0.278 -16.771 1.00 0.00 O ATOM 1199 CB GLU A 76 20.186 2.876 -14.674 1.00 0.00 C ATOM 1200 CG GLU A 76 18.935 2.852 -13.786 1.00 0.00 C ATOM 1201 CD GLU A 76 18.836 1.506 -13.076 1.00 0.00 C ATOM 1202 OE1 GLU A 76 19.851 1.043 -12.582 1.00 0.00 O ATOM 1203 OE2 GLU A 76 17.747 0.957 -13.036 1.00 0.00 O ATOM 0 H GLU A 76 17.775 2.984 -16.313 1.00 0.00 H new ATOM 0 HA GLU A 76 20.671 2.775 -16.768 1.00 0.00 H new ATOM 0 HB2 GLU A 76 20.918 2.160 -14.300 1.00 0.00 H new ATOM 0 HB3 GLU A 76 20.651 3.861 -14.630 1.00 0.00 H new ATOM 0 HG2 GLU A 76 18.981 3.658 -13.054 1.00 0.00 H new ATOM 0 HG3 GLU A 76 18.044 3.022 -14.391 1.00 0.00 H new ATOM 1210 N LYS A 77 18.351 0.638 -15.737 1.00 0.00 N ATOM 1211 CA LYS A 77 17.962 -0.769 -15.789 1.00 0.00 C ATOM 1212 C LYS A 77 16.473 -0.933 -15.472 1.00 0.00 C ATOM 1213 O LYS A 77 16.074 -1.823 -14.720 1.00 0.00 O ATOM 1214 CB LYS A 77 18.784 -1.582 -14.784 1.00 0.00 C ATOM 1215 CG LYS A 77 20.055 -2.102 -15.460 1.00 0.00 C ATOM 1216 CD LYS A 77 20.419 -3.471 -14.883 1.00 0.00 C ATOM 1217 CE LYS A 77 21.542 -4.094 -15.715 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.081 -5.322 -15.067 1.00 0.00 N ATOM 0 H LYS A 77 17.669 1.254 -15.294 1.00 0.00 H new ATOM 0 HA LYS A 77 18.152 -1.134 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 77 19.044 -0.962 -13.926 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.193 -2.417 -14.407 1.00 0.00 H new ATOM 0 HG2 LYS A 77 19.901 -2.179 -16.536 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.875 -1.401 -15.304 1.00 0.00 H new ATOM 0 HD2 LYS A 77 20.736 -3.367 -13.845 1.00 0.00 H new ATOM 0 HD3 LYS A 77 19.545 -4.123 -14.886 1.00 0.00 H new ATOM 0 HE2 LYS A 77 21.167 -4.340 -16.709 1.00 0.00 H new ATOM 0 HE3 LYS A 77 22.345 -3.368 -15.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.840 -5.720 -15.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.460 -5.082 -14.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.320 -6.023 -14.964 1.00 0.00 H new ATOM 1232 N VAL A 78 15.649 -0.066 -16.060 1.00 0.00 N ATOM 1233 CA VAL A 78 14.203 -0.130 -15.835 1.00 0.00 C ATOM 1234 C VAL A 78 13.659 -1.496 -16.263 1.00 0.00 C ATOM 1235 O VAL A 78 13.033 -2.202 -15.475 1.00 0.00 O ATOM 1236 CB VAL A 78 13.490 0.986 -16.621 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.970 0.906 -16.419 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.978 2.346 -16.120 1.00 0.00 C ATOM 0 H VAL A 78 15.951 0.679 -16.687 1.00 0.00 H new ATOM 0 HA VAL A 78 14.012 0.009 -14.771 1.00 0.00 H new ATOM 0 HB VAL A 78 13.717 0.863 -17.680 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.486 1.703 -16.983 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.607 -0.060 -16.771 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.737 1.018 -15.360 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.476 3.139 -16.674 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.752 2.445 -15.058 1.00 0.00 H new ATOM 0 HG23 VAL A 78 15.055 2.424 -16.270 1.00 0.00 H new ATOM 1248 N ASP A 79 13.906 -1.858 -17.523 1.00 0.00 N ATOM 1249 CA ASP A 79 13.433 -3.141 -18.059 1.00 0.00 C ATOM 1250 C ASP A 79 13.785 -4.303 -17.128 1.00 0.00 C ATOM 1251 O ASP A 79 12.965 -5.186 -16.879 1.00 0.00 O ATOM 1252 CB ASP A 79 14.053 -3.407 -19.434 1.00 0.00 C ATOM 1253 CG ASP A 79 15.569 -3.258 -19.349 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.033 -2.130 -19.354 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.241 -4.273 -19.280 1.00 0.00 O ATOM 0 H ASP A 79 14.427 -1.288 -18.189 1.00 0.00 H new ATOM 0 HA ASP A 79 12.348 -3.073 -18.145 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.794 -4.410 -19.773 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.649 -2.709 -20.167 1.00 0.00 H new ATOM 1260 N ASP A 80 15.012 -4.288 -16.618 1.00 0.00 N ATOM 1261 CA ASP A 80 15.459 -5.345 -15.714 1.00 0.00 C ATOM 1262 C ASP A 80 14.761 -5.222 -14.364 1.00 0.00 C ATOM 1263 O ASP A 80 14.338 -6.217 -13.774 1.00 0.00 O ATOM 1264 CB ASP A 80 16.971 -5.262 -15.498 1.00 0.00 C ATOM 1265 CG ASP A 80 17.694 -5.717 -16.761 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.237 -6.669 -17.372 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.694 -5.106 -17.100 1.00 0.00 O ATOM 0 H ASP A 80 15.707 -3.567 -16.811 1.00 0.00 H new ATOM 0 HA ASP A 80 15.208 -6.303 -16.169 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.258 -4.240 -15.251 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.263 -5.888 -14.654 1.00 0.00 H new ATOM 1272 N LEU A 81 14.652 -3.988 -13.880 1.00 0.00 N ATOM 1273 CA LEU A 81 14.011 -3.738 -12.592 1.00 0.00 C ATOM 1274 C LEU A 81 12.521 -4.074 -12.649 1.00 0.00 C ATOM 1275 O LEU A 81 11.940 -4.531 -11.668 1.00 0.00 O ATOM 1276 CB LEU A 81 14.185 -2.272 -12.186 1.00 0.00 C ATOM 1277 CG LEU A 81 14.479 -2.032 -10.702 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.988 -2.114 -10.461 1.00 0.00 C ATOM 1279 CD2 LEU A 81 13.974 -0.645 -10.300 1.00 0.00 C ATOM 0 H LEU A 81 14.995 -3.153 -14.354 1.00 0.00 H new ATOM 0 HA LEU A 81 14.489 -4.379 -11.851 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.997 -1.844 -12.774 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.278 -1.729 -12.452 1.00 0.00 H new ATOM 0 HG LEU A 81 13.974 -2.791 -10.104 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.198 -1.943 -9.405 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.349 -3.102 -10.748 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.494 -1.355 -11.059 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.183 -0.474 -9.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.479 0.114 -10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.899 -0.585 -10.472 1.00 0.00 H new ATOM 1291 N VAL A 82 11.908 -3.841 -13.807 1.00 0.00 N ATOM 1292 CA VAL A 82 10.481 -4.121 -13.973 1.00 0.00 C ATOM 1293 C VAL A 82 10.193 -5.605 -13.734 1.00 0.00 C ATOM 1294 O VAL A 82 9.247 -5.960 -13.033 1.00 0.00 O ATOM 1295 CB VAL A 82 10.018 -3.732 -15.388 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.513 -3.994 -15.541 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.299 -2.240 -15.631 1.00 0.00 C ATOM 0 H VAL A 82 12.368 -3.464 -14.635 1.00 0.00 H new ATOM 0 HA VAL A 82 9.933 -3.529 -13.240 1.00 0.00 H new ATOM 0 HB VAL A 82 10.564 -4.333 -16.115 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.195 -3.715 -16.546 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.309 -5.052 -15.376 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.964 -3.401 -14.810 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.970 -1.966 -16.634 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.758 -1.644 -14.896 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.368 -2.051 -15.535 1.00 0.00 H new ATOM 1307 N ALA A 83 11.010 -6.465 -14.334 1.00 0.00 N ATOM 1308 CA ALA A 83 10.825 -7.907 -14.188 1.00 0.00 C ATOM 1309 C ALA A 83 11.006 -8.341 -12.735 1.00 0.00 C ATOM 1310 O ALA A 83 10.216 -9.118 -12.202 1.00 0.00 O ATOM 1311 CB ALA A 83 11.829 -8.665 -15.057 1.00 0.00 C ATOM 0 H ALA A 83 11.799 -6.194 -14.920 1.00 0.00 H new ATOM 0 HA ALA A 83 9.809 -8.140 -14.507 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.678 -9.738 -14.936 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.683 -8.393 -16.102 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.843 -8.405 -14.752 1.00 0.00 H new ATOM 1317 N LYS A 84 12.065 -7.841 -12.108 1.00 0.00 N ATOM 1318 CA LYS A 84 12.358 -8.194 -10.720 1.00 0.00 C ATOM 1319 C LYS A 84 11.402 -7.498 -9.751 1.00 0.00 C ATOM 1320 O LYS A 84 11.144 -7.995 -8.655 1.00 0.00 O ATOM 1321 CB LYS A 84 13.792 -7.799 -10.367 1.00 0.00 C ATOM 1322 CG LYS A 84 14.302 -8.684 -9.229 1.00 0.00 C ATOM 1323 CD LYS A 84 15.463 -7.984 -8.519 1.00 0.00 C ATOM 1324 CE LYS A 84 14.930 -7.209 -7.313 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.039 -6.762 -6.422 1.00 0.00 N ATOM 0 H LYS A 84 12.731 -7.195 -12.532 1.00 0.00 H new ATOM 0 HA LYS A 84 12.231 -9.272 -10.624 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.435 -7.906 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.829 -6.751 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.497 -8.885 -8.522 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.629 -9.647 -9.621 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.201 -8.718 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.968 -7.306 -9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 84 14.365 -6.342 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.240 -7.838 -6.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.646 -6.239 -5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.563 -7.592 -6.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.684 -6.143 -6.954 1.00 0.00 H new ATOM 1339 N CYS A 85 10.888 -6.340 -10.157 1.00 0.00 N ATOM 1340 CA CYS A 85 9.973 -5.586 -9.301 1.00 0.00 C ATOM 1341 C CYS A 85 8.528 -6.030 -9.511 1.00 0.00 C ATOM 1342 O CYS A 85 7.702 -5.940 -8.604 1.00 0.00 O ATOM 1343 CB CYS A 85 10.082 -4.087 -9.592 1.00 0.00 C ATOM 1344 SG CYS A 85 11.660 -3.466 -8.960 1.00 0.00 S ATOM 0 H CYS A 85 11.085 -5.907 -11.059 1.00 0.00 H new ATOM 0 HA CYS A 85 10.256 -5.782 -8.267 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.011 -3.907 -10.665 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.255 -3.553 -9.124 1.00 0.00 H new ATOM 1349 N ALA A 86 8.227 -6.505 -10.719 1.00 0.00 N ATOM 1350 CA ALA A 86 6.869 -6.954 -11.038 1.00 0.00 C ATOM 1351 C ALA A 86 6.645 -8.425 -10.659 1.00 0.00 C ATOM 1352 O ALA A 86 6.008 -9.177 -11.401 1.00 0.00 O ATOM 1353 CB ALA A 86 6.597 -6.781 -12.532 1.00 0.00 C ATOM 0 H ALA A 86 8.895 -6.589 -11.486 1.00 0.00 H new ATOM 0 HA ALA A 86 6.183 -6.341 -10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.585 -7.117 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.699 -5.730 -12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.313 -7.372 -13.103 1.00 0.00 H new ATOM 1359 N VAL A 87 7.159 -8.837 -9.503 1.00 0.00 N ATOM 1360 CA VAL A 87 6.989 -10.220 -9.060 1.00 0.00 C ATOM 1361 C VAL A 87 5.511 -10.525 -8.823 1.00 0.00 C ATOM 1362 O VAL A 87 4.838 -9.844 -8.050 1.00 0.00 O ATOM 1363 CB VAL A 87 7.769 -10.482 -7.765 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.267 -10.522 -8.071 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.484 -9.368 -6.749 1.00 0.00 C ATOM 0 H VAL A 87 7.689 -8.244 -8.864 1.00 0.00 H new ATOM 0 HA VAL A 87 7.376 -10.869 -9.845 1.00 0.00 H new ATOM 0 HB VAL A 87 7.456 -11.438 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.821 -10.708 -7.151 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.471 -11.319 -8.785 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.577 -9.567 -8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 87 8.041 -9.561 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.791 -8.409 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.417 -9.342 -6.527 1.00 0.00 H new ATOM 1375 N LYS A 88 5.015 -11.558 -9.498 1.00 0.00 N ATOM 1376 CA LYS A 88 3.611 -11.946 -9.351 1.00 0.00 C ATOM 1377 C LYS A 88 3.328 -12.369 -7.913 1.00 0.00 C ATOM 1378 O LYS A 88 3.877 -13.352 -7.418 1.00 0.00 O ATOM 1379 CB LYS A 88 3.254 -13.105 -10.291 1.00 0.00 C ATOM 1380 CG LYS A 88 4.320 -14.201 -10.209 1.00 0.00 C ATOM 1381 CD LYS A 88 3.652 -15.578 -10.265 1.00 0.00 C ATOM 1382 CE LYS A 88 3.404 -16.083 -8.842 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.267 -17.566 -8.807 1.00 0.00 N ATOM 0 H LYS A 88 5.553 -12.136 -10.144 1.00 0.00 H new ATOM 0 HA LYS A 88 3.001 -11.080 -9.610 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.280 -13.514 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.175 -12.741 -11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.027 -14.096 -11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.889 -14.100 -9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.710 -15.515 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.286 -16.280 -10.806 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.228 -15.777 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.500 -15.623 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.100 -17.876 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.466 -17.855 -9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.140 -18.004 -9.165 1.00 0.00 H new ATOM 1397 N LYS A 89 2.465 -11.607 -7.246 1.00 0.00 N ATOM 1398 CA LYS A 89 2.114 -11.904 -5.859 1.00 0.00 C ATOM 1399 C LYS A 89 0.804 -12.682 -5.791 1.00 0.00 C ATOM 1400 O LYS A 89 0.214 -13.025 -6.815 1.00 0.00 O ATOM 1401 CB LYS A 89 1.966 -10.610 -5.057 1.00 0.00 C ATOM 1402 CG LYS A 89 3.302 -9.864 -5.042 1.00 0.00 C ATOM 1403 CD LYS A 89 4.320 -10.657 -4.221 1.00 0.00 C ATOM 1404 CE LYS A 89 5.522 -9.767 -3.901 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.699 -10.576 -3.472 1.00 0.00 N ATOM 0 H LYS A 89 2.000 -10.788 -7.638 1.00 0.00 H new ATOM 0 HA LYS A 89 2.915 -12.508 -5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.192 -9.982 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.651 -10.835 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.666 -9.729 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.171 -8.870 -4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.861 -11.012 -3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.644 -11.538 -4.776 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.784 -9.178 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.256 -9.063 -3.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.497 -9.943 -3.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.455 -11.119 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.967 -11.230 -4.235 1.00 0.00 H new ATOM 1419 N ASP A 90 0.357 -12.955 -4.569 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.886 -13.695 -4.369 1.00 0.00 C ATOM 1421 C ASP A 90 -2.078 -12.922 -4.935 1.00 0.00 C ATOM 1422 O ASP A 90 -3.100 -13.510 -5.288 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.122 -13.958 -2.879 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.067 -12.641 -2.112 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.027 -12.004 -2.141 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.065 -12.289 -1.505 1.00 0.00 O ATOM 0 H ASP A 90 0.831 -12.678 -3.709 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.793 -14.645 -4.896 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.091 -14.435 -2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.367 -14.645 -2.497 1.00 0.00 H new ATOM 1431 N THR A 91 -1.942 -11.598 -5.016 1.00 0.00 N ATOM 1432 CA THR A 91 -3.022 -10.765 -5.542 1.00 0.00 C ATOM 1433 C THR A 91 -2.454 -9.628 -6.396 1.00 0.00 C ATOM 1434 O THR A 91 -1.308 -9.220 -6.214 1.00 0.00 O ATOM 1435 CB THR A 91 -3.842 -10.168 -4.395 1.00 0.00 C ATOM 1436 OG1 THR A 91 -3.015 -10.025 -3.249 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.013 -11.095 -4.067 1.00 0.00 C ATOM 0 H THR A 91 -1.108 -11.086 -4.729 1.00 0.00 H new ATOM 0 HA THR A 91 -3.664 -11.394 -6.158 1.00 0.00 H new ATOM 0 HB THR A 91 -4.226 -9.192 -4.692 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.939 -10.888 -2.791 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.596 -10.669 -3.250 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.647 -11.205 -4.947 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.632 -12.072 -3.770 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.249 -9.104 -7.341 1.00 0.00 N ATOM 1446 CA PRO A 92 -2.807 -8.009 -8.220 1.00 0.00 C ATOM 1447 C PRO A 92 -2.677 -6.682 -7.479 1.00 0.00 C ATOM 1448 O PRO A 92 -1.751 -5.908 -7.724 1.00 0.00 O ATOM 1449 CB PRO A 92 -3.901 -7.923 -9.280 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.115 -8.492 -8.632 1.00 0.00 C ATOM 1451 CD PRO A 92 -4.633 -9.515 -7.644 1.00 0.00 C ATOM 0 HA PRO A 92 -1.817 -8.203 -8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.067 -6.892 -9.592 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.630 -8.486 -10.173 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.690 -7.712 -8.133 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.772 -8.948 -9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.251 -9.523 -6.746 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.667 -10.520 -8.064 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.614 -6.425 -6.568 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.588 -5.182 -5.795 1.00 0.00 C ATOM 1461 C GLN A 93 -2.276 -5.048 -5.023 1.00 0.00 C ATOM 1462 O GLN A 93 -1.833 -3.942 -4.716 1.00 0.00 O ATOM 1463 CB GLN A 93 -4.760 -5.127 -4.810 1.00 0.00 C ATOM 1464 CG GLN A 93 -4.727 -6.354 -3.897 1.00 0.00 C ATOM 1465 CD GLN A 93 -3.859 -6.059 -2.679 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -2.867 -6.746 -2.435 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -4.178 -5.070 -1.890 1.00 0.00 N ATOM 0 H GLN A 93 -4.390 -7.049 -6.348 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.674 -4.356 -6.501 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.703 -4.217 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.704 -5.093 -5.355 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -5.738 -6.613 -3.582 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.332 -7.213 -4.439 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.000 -4.501 -2.092 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.605 -4.866 -1.071 1.00 0.00 H new ATOM 1476 N HIS A 94 -1.649 -6.185 -4.723 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.381 -6.171 -4.003 1.00 0.00 C ATOM 1478 C HIS A 94 0.733 -5.716 -4.937 1.00 0.00 C ATOM 1479 O HIS A 94 1.404 -4.715 -4.687 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.053 -7.566 -3.466 1.00 0.00 C ATOM 1481 CG HIS A 94 0.894 -7.449 -2.305 1.00 0.00 C ATOM 1482 ND1 HIS A 94 0.761 -8.221 -1.162 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.994 -6.654 -2.094 1.00 0.00 C ATOM 1484 CE1 HIS A 94 1.755 -7.878 -0.322 1.00 0.00 C ATOM 1485 NE2 HIS A 94 2.535 -6.926 -0.842 1.00 0.00 N ATOM 0 H HIS A 94 -1.994 -7.114 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.465 -5.480 -3.164 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.967 -8.071 -3.153 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.394 -8.174 -4.253 1.00 0.00 H new ATOM 0 HD1 HIS A 94 0.041 -8.922 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.380 -5.928 -2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.904 -8.318 0.653 1.00 0.00 H new ATOM 1493 N SER A 95 0.913 -6.461 -6.029 1.00 0.00 N ATOM 1494 CA SER A 95 1.940 -6.135 -7.027 1.00 0.00 C ATOM 1495 C SER A 95 1.882 -4.656 -7.424 1.00 0.00 C ATOM 1496 O SER A 95 2.887 -4.065 -7.821 1.00 0.00 O ATOM 1497 CB SER A 95 1.752 -6.990 -8.281 1.00 0.00 C ATOM 1498 OG SER A 95 0.376 -7.005 -8.636 1.00 0.00 O ATOM 0 H SER A 95 0.364 -7.293 -6.247 1.00 0.00 H new ATOM 0 HA SER A 95 2.910 -6.343 -6.576 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.347 -6.589 -9.101 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.104 -8.006 -8.099 1.00 0.00 H new ATOM 0 HG SER A 95 -0.102 -6.320 -8.123 1.00 0.00 H new ATOM 1504 N SER A 96 0.687 -4.067 -7.315 1.00 0.00 N ATOM 1505 CA SER A 96 0.491 -2.657 -7.668 1.00 0.00 C ATOM 1506 C SER A 96 1.491 -1.761 -6.939 1.00 0.00 C ATOM 1507 O SER A 96 2.260 -1.030 -7.565 1.00 0.00 O ATOM 1508 CB SER A 96 -0.926 -2.212 -7.303 1.00 0.00 C ATOM 1509 OG SER A 96 -1.023 -0.796 -7.414 1.00 0.00 O ATOM 0 H SER A 96 -0.155 -4.541 -6.987 1.00 0.00 H new ATOM 0 HA SER A 96 0.646 -2.563 -8.743 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.650 -2.690 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.166 -2.525 -6.287 1.00 0.00 H new ATOM 0 HG SER A 96 -0.339 -0.469 -8.035 1.00 0.00 H new ATOM 1515 N ALA A 97 1.471 -1.823 -5.611 1.00 0.00 N ATOM 1516 CA ALA A 97 2.377 -1.008 -4.806 1.00 0.00 C ATOM 1517 C ALA A 97 3.830 -1.355 -5.119 1.00 0.00 C ATOM 1518 O ALA A 97 4.707 -0.491 -5.106 1.00 0.00 O ATOM 1519 CB ALA A 97 2.121 -1.237 -3.316 1.00 0.00 C ATOM 0 H ALA A 97 0.845 -2.422 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 97 2.193 0.038 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.805 -0.622 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.093 -0.964 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.283 -2.288 -3.076 1.00 0.00 H new ATOM 1525 N ASP A 98 4.073 -2.631 -5.394 1.00 0.00 N ATOM 1526 CA ASP A 98 5.425 -3.094 -5.704 1.00 0.00 C ATOM 1527 C ASP A 98 5.986 -2.376 -6.929 1.00 0.00 C ATOM 1528 O ASP A 98 7.188 -2.131 -7.023 1.00 0.00 O ATOM 1529 CB ASP A 98 5.424 -4.601 -5.970 1.00 0.00 C ATOM 1530 CG ASP A 98 4.970 -5.340 -4.716 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.820 -5.661 -3.902 1.00 0.00 O ATOM 1532 OD2 ASP A 98 3.780 -5.573 -4.588 1.00 0.00 O ATOM 0 H ASP A 98 3.360 -3.360 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 98 6.054 -2.871 -4.842 1.00 0.00 H new ATOM 0 HB2 ASP A 98 4.760 -4.833 -6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.422 -4.931 -6.258 1.00 0.00 H new ATOM 1537 N PHE A 99 5.108 -2.050 -7.873 1.00 0.00 N ATOM 1538 CA PHE A 99 5.539 -1.369 -9.093 1.00 0.00 C ATOM 1539 C PHE A 99 6.176 -0.018 -8.772 1.00 0.00 C ATOM 1540 O PHE A 99 7.263 0.299 -9.253 1.00 0.00 O ATOM 1541 CB PHE A 99 4.355 -1.139 -10.041 1.00 0.00 C ATOM 1542 CG PHE A 99 3.758 -2.460 -10.481 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.584 -3.525 -10.872 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.367 -2.615 -10.505 1.00 0.00 C ATOM 1545 CE1 PHE A 99 4.017 -4.737 -11.283 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.801 -3.828 -10.914 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.627 -4.889 -11.302 1.00 0.00 C ATOM 0 H PHE A 99 4.108 -2.242 -7.821 1.00 0.00 H new ATOM 0 HA PHE A 99 6.274 -2.013 -9.576 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.594 -0.539 -9.542 1.00 0.00 H new ATOM 0 HB3 PHE A 99 4.685 -0.575 -10.913 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.658 -3.409 -10.856 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.729 -1.796 -10.207 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.653 -5.555 -11.586 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.727 -3.945 -10.930 1.00 0.00 H new ATOM 0 HZ PHE A 99 2.191 -5.826 -11.616 1.00 0.00 H new ATOM 1557 N PHE A 100 5.478 0.779 -7.967 1.00 0.00 N ATOM 1558 CA PHE A 100 5.978 2.104 -7.605 1.00 0.00 C ATOM 1559 C PHE A 100 7.007 2.020 -6.478 1.00 0.00 C ATOM 1560 O PHE A 100 8.056 2.660 -6.533 1.00 0.00 O ATOM 1561 CB PHE A 100 4.823 3.001 -7.155 1.00 0.00 C ATOM 1562 CG PHE A 100 4.205 3.670 -8.361 1.00 0.00 C ATOM 1563 CD1 PHE A 100 4.808 4.802 -8.920 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.027 3.156 -8.919 1.00 0.00 C ATOM 1565 CE1 PHE A 100 4.234 5.422 -10.037 1.00 0.00 C ATOM 1566 CE2 PHE A 100 2.453 3.775 -10.036 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.056 4.908 -10.595 1.00 0.00 C ATOM 0 H PHE A 100 4.576 0.536 -7.557 1.00 0.00 H new ATOM 0 HA PHE A 100 6.456 2.527 -8.489 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.073 2.410 -6.630 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.185 3.753 -6.454 1.00 0.00 H new ATOM 0 HD1 PHE A 100 5.716 5.198 -8.490 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.562 2.282 -8.487 1.00 0.00 H new ATOM 0 HE1 PHE A 100 4.699 6.296 -10.468 1.00 0.00 H new ATOM 0 HE2 PHE A 100 1.545 3.378 -10.466 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.613 5.386 -11.456 1.00 0.00 H new ATOM 1577 N LYS A 101 6.689 1.237 -5.451 1.00 0.00 N ATOM 1578 CA LYS A 101 7.586 1.091 -4.304 1.00 0.00 C ATOM 1579 C LYS A 101 8.956 0.562 -4.730 1.00 0.00 C ATOM 1580 O LYS A 101 9.987 1.165 -4.437 1.00 0.00 O ATOM 1581 CB LYS A 101 6.988 0.126 -3.278 1.00 0.00 C ATOM 1582 CG LYS A 101 5.633 0.655 -2.802 1.00 0.00 C ATOM 1583 CD LYS A 101 5.815 1.437 -1.500 1.00 0.00 C ATOM 1584 CE LYS A 101 4.452 1.925 -1.007 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.705 2.632 -2.086 1.00 0.00 N ATOM 0 H LYS A 101 5.826 0.698 -5.387 1.00 0.00 H new ATOM 0 HA LYS A 101 7.708 2.080 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.868 -0.863 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 101 7.664 0.016 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.194 1.297 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.942 -0.174 -2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.282 0.805 -0.745 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.481 2.285 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.866 1.077 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.589 2.595 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.925 3.179 -1.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.348 3.276 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.319 1.935 -2.755 1.00 0.00 H new ATOM 1599 N CYS A 102 8.953 -0.585 -5.408 1.00 0.00 N ATOM 1600 CA CYS A 102 10.200 -1.213 -5.856 1.00 0.00 C ATOM 1601 C CYS A 102 11.084 -0.235 -6.632 1.00 0.00 C ATOM 1602 O CYS A 102 12.192 0.091 -6.205 1.00 0.00 O ATOM 1603 CB CYS A 102 9.898 -2.418 -6.747 1.00 0.00 C ATOM 1604 SG CYS A 102 11.402 -3.402 -6.960 1.00 0.00 S ATOM 0 H CYS A 102 8.108 -1.098 -5.659 1.00 0.00 H new ATOM 0 HA CYS A 102 10.736 -1.531 -4.962 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.112 -3.027 -6.300 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.529 -2.084 -7.717 1.00 0.00 H new ATOM 1609 N VAL A 103 10.590 0.218 -7.782 1.00 0.00 N ATOM 1610 CA VAL A 103 11.352 1.150 -8.618 1.00 0.00 C ATOM 1611 C VAL A 103 11.763 2.400 -7.834 1.00 0.00 C ATOM 1612 O VAL A 103 12.732 3.073 -8.184 1.00 0.00 O ATOM 1613 CB VAL A 103 10.529 1.565 -9.842 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.209 0.328 -10.682 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.222 2.220 -9.387 1.00 0.00 C ATOM 0 H VAL A 103 9.676 -0.040 -8.155 1.00 0.00 H new ATOM 0 HA VAL A 103 12.255 0.633 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 103 11.102 2.276 -10.438 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.623 0.621 -11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.138 -0.140 -11.010 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.638 -0.381 -10.083 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.639 2.514 -10.260 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.649 1.511 -8.790 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.447 3.102 -8.787 1.00 0.00 H new ATOM 1625 N HIS A 104 11.019 2.706 -6.771 1.00 0.00 N ATOM 1626 CA HIS A 104 11.327 3.879 -5.954 1.00 0.00 C ATOM 1627 C HIS A 104 12.402 3.548 -4.923 1.00 0.00 C ATOM 1628 O HIS A 104 13.300 4.350 -4.663 1.00 0.00 O ATOM 1629 CB HIS A 104 10.074 4.370 -5.225 1.00 0.00 C ATOM 1630 CG HIS A 104 9.336 5.351 -6.096 1.00 0.00 C ATOM 1631 ND1 HIS A 104 9.414 5.319 -7.480 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.499 6.397 -5.793 1.00 0.00 C ATOM 1633 CE1 HIS A 104 8.647 6.317 -7.953 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.065 7.005 -6.967 1.00 0.00 N ATOM 0 H HIS A 104 10.211 2.167 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 104 11.691 4.662 -6.619 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.428 3.526 -4.982 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.351 4.842 -4.282 1.00 0.00 H new ATOM 0 HD2 HIS A 104 8.220 6.701 -4.795 1.00 0.00 H new ATOM 0 HE1 HIS A 104 8.517 6.536 -9.003 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.437 7.804 -7.056 1.00 0.00 H new ATOM 1642 N ASP A 105 12.302 2.358 -4.336 1.00 0.00 N ATOM 1643 CA ASP A 105 13.272 1.931 -3.331 1.00 0.00 C ATOM 1644 C ASP A 105 14.413 1.151 -3.986 1.00 0.00 C ATOM 1645 O ASP A 105 14.751 0.040 -3.573 1.00 0.00 O ATOM 1646 CB ASP A 105 12.594 1.054 -2.274 1.00 0.00 C ATOM 1647 CG ASP A 105 11.672 1.912 -1.415 1.00 0.00 C ATOM 1648 OD1 ASP A 105 10.872 2.638 -1.982 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.778 1.829 -0.203 1.00 0.00 O ATOM 0 H ASP A 105 11.568 1.679 -4.536 1.00 0.00 H new ATOM 0 HA ASP A 105 13.678 2.821 -2.851 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.024 0.260 -2.756 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.346 0.572 -1.649 1.00 0.00 H new ATOM 1654 N ASN A 106 15.003 1.749 -5.017 1.00 0.00 N ATOM 1655 CA ASN A 106 16.106 1.107 -5.728 1.00 0.00 C ATOM 1656 C ASN A 106 17.442 1.514 -5.115 1.00 0.00 C ATOM 1657 O ASN A 106 18.382 0.720 -5.056 1.00 0.00 O ATOM 1658 CB ASN A 106 16.093 1.506 -7.206 1.00 0.00 C ATOM 1659 CG ASN A 106 17.100 0.654 -7.972 1.00 0.00 C ATOM 1660 OD1 ASN A 106 17.060 -0.575 -7.904 1.00 0.00 O ATOM 1661 ND2 ASN A 106 18.008 1.238 -8.703 1.00 0.00 N ATOM 0 H ASN A 106 14.740 2.667 -5.376 1.00 0.00 H new ATOM 0 HA ASN A 106 15.980 0.028 -5.642 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.095 1.370 -7.622 1.00 0.00 H new ATOM 0 HB3 ASN A 106 16.340 2.562 -7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 106 18.686 0.677 -9.219 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.041 2.256 -8.759 1.00 0.00 H new ATOM 1668 N ARG A 107 17.517 2.762 -4.659 1.00 0.00 N ATOM 1669 CA ARG A 107 18.743 3.272 -4.049 1.00 0.00 C ATOM 1670 C ARG A 107 19.897 3.226 -5.047 1.00 0.00 C ATOM 1671 O ARG A 107 20.569 2.205 -5.195 1.00 0.00 O ATOM 1672 CB ARG A 107 19.117 2.445 -2.817 1.00 0.00 C ATOM 1673 CG ARG A 107 20.081 3.244 -1.938 1.00 0.00 C ATOM 1674 CD ARG A 107 21.016 2.283 -1.201 1.00 0.00 C ATOM 1675 NE ARG A 107 20.351 1.712 -0.033 1.00 0.00 N ATOM 1676 CZ ARG A 107 20.929 1.738 1.165 1.00 0.00 C ATOM 1677 NH1 ARG A 107 22.150 1.299 1.310 1.00 0.00 N ATOM 1678 NH2 ARG A 107 20.275 2.201 2.195 1.00 0.00 N ATOM 0 H ARG A 107 16.751 3.434 -4.699 1.00 0.00 H new ATOM 0 HA ARG A 107 18.562 4.304 -3.750 1.00 0.00 H new ATOM 0 HB2 ARG A 107 18.221 2.189 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 107 19.580 1.507 -3.123 1.00 0.00 H new ATOM 0 HG2 ARG A 107 20.661 3.934 -2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 107 19.522 3.846 -1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 107 21.330 1.485 -1.874 1.00 0.00 H new ATOM 0 HD3 ARG A 107 21.918 2.811 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 107 19.430 1.287 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 107 22.661 0.936 0.505 1.00 0.00 H new ATOM 0 HH12 ARG A 107 22.593 1.319 2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 107 19.321 2.543 2.082 1.00 0.00 H new ATOM 0 HH22 ARG A 107 20.718 2.221 3.114 1.00 0.00 H new ATOM 1692 N SER A 108 20.120 4.347 -5.729 1.00 0.00 N ATOM 1693 CA SER A 108 21.197 4.432 -6.714 1.00 0.00 C ATOM 1694 C SER A 108 20.981 3.415 -7.830 1.00 0.00 C ATOM 1695 O SER A 108 20.461 3.801 -8.865 1.00 0.00 O ATOM 1696 CB SER A 108 22.551 4.169 -6.055 1.00 0.00 C ATOM 1697 OG SER A 108 23.080 5.393 -5.563 1.00 0.00 O ATOM 1698 OXT SER A 108 21.341 2.265 -7.635 1.00 0.00 O ATOM 0 H SER A 108 19.575 5.202 -5.620 1.00 0.00 H new ATOM 0 HA SER A 108 21.189 5.438 -7.133 1.00 0.00 H new ATOM 0 HB2 SER A 108 22.439 3.454 -5.240 1.00 0.00 H new ATOM 0 HB3 SER A 108 23.239 3.726 -6.775 1.00 0.00 H new ATOM 0 HG SER A 108 23.947 5.227 -5.138 1.00 0.00 H new TER 1704 SER A 108