USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 580 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 60 HIS : no HE2:sc= 0.459 K(o=0.89,f=-3.4!) USER MOD Set 1.2: A 62 HIS : no HD1:sc= 0.431 K(o=0.89,f=-1.1) USER MOD Set 2.1: A 61 HIS : no HE2:sc= -0.223 K(o=-0.26,f=-3.6!) USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.0409 K(o=-0.26,f=-1.2) USER MOD Set 3.1: A 19 TYR OH : rot 120:sc= 0.959 USER MOD Set 3.2: A 23 LYS NZ :NH3+ -170:sc= 1.13 (180deg=0) USER MOD Single : A 1 MET CE :methyl 167:sc= -0.0489 (180deg=-0.31) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.0038 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= -0.0635 (180deg=-0.468) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.15) USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= 1.32 (180deg=1.19) USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= -0.0227 (180deg=-0.148) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0629 USER MOD Single : A 28 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-0.72) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -174:sc=-0.00367 (180deg=-0.0587) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.13) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -76:sc= 0.801 USER MOD Single : A 51 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0.48) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -166:sc= -0.0274 (180deg=-0.201) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.618 -6.720 3.174 1.00 0.00 N ATOM 2 CA MET A 1 11.388 -7.308 2.661 1.00 0.00 C ATOM 3 C MET A 1 11.245 -6.980 1.184 1.00 0.00 C ATOM 4 O MET A 1 11.361 -5.816 0.794 1.00 0.00 O ATOM 5 CB MET A 1 10.159 -6.813 3.456 1.00 0.00 C ATOM 6 CG MET A 1 8.841 -7.430 2.993 1.00 0.00 C ATOM 7 SD MET A 1 7.421 -6.995 4.034 1.00 0.00 S ATOM 8 CE MET A 1 7.418 -5.202 3.906 1.00 0.00 C ATOM 0 H1 MET A 1 12.466 -6.394 4.150 1.00 0.00 H new ATOM 0 H2 MET A 1 13.375 -7.433 3.161 1.00 0.00 H new ATOM 0 H3 MET A 1 12.892 -5.913 2.578 1.00 0.00 H new ATOM 0 HA MET A 1 11.440 -8.390 2.782 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.305 -7.039 4.512 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.093 -5.729 3.369 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.641 -7.110 1.970 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.946 -8.515 2.973 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.479 -4.811 4.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.249 -4.795 4.482 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.525 -4.912 2.861 1.00 0.00 H new ATOM 20 N ASN A 2 11.037 -8.014 0.372 1.00 0.00 N ATOM 21 CA ASN A 2 10.872 -7.908 -1.093 1.00 0.00 C ATOM 22 C ASN A 2 9.841 -6.845 -1.438 1.00 0.00 C ATOM 23 O ASN A 2 8.735 -6.877 -0.912 1.00 0.00 O ATOM 24 CB ASN A 2 10.353 -9.235 -1.665 1.00 0.00 C ATOM 25 CG ASN A 2 11.230 -10.450 -1.428 1.00 0.00 C ATOM 26 OD1 ASN A 2 10.711 -11.550 -1.240 1.00 0.00 O ATOM 27 ND2 ASN A 2 12.525 -10.298 -1.483 1.00 0.00 N ATOM 0 H ASN A 2 10.976 -8.974 0.712 1.00 0.00 H new ATOM 0 HA ASN A 2 11.845 -7.653 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.370 -9.432 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 2 10.215 -9.115 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 2 13.139 -11.105 -1.369 1.00 0.00 H new ATOM 0 HD22 ASN A 2 12.924 -9.372 -1.640 1.00 0.00 H new ATOM 34 N VAL A 3 10.181 -5.945 -2.350 1.00 0.00 N ATOM 35 CA VAL A 3 9.274 -4.851 -2.743 1.00 0.00 C ATOM 36 C VAL A 3 8.001 -5.376 -3.419 1.00 0.00 C ATOM 37 O VAL A 3 6.956 -4.719 -3.410 1.00 0.00 O ATOM 38 CB VAL A 3 9.967 -3.785 -3.647 1.00 0.00 C ATOM 39 CG1 VAL A 3 11.088 -3.091 -2.892 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.505 -4.404 -4.931 1.00 0.00 C ATOM 0 H VAL A 3 11.077 -5.942 -2.838 1.00 0.00 H new ATOM 0 HA VAL A 3 8.991 -4.357 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 3 9.213 -3.047 -3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 3 11.559 -2.351 -3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.681 -2.595 -2.011 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.830 -3.828 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.981 -3.632 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.236 -5.174 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.684 -4.849 -5.492 1.00 0.00 H new ATOM 50 N THR A 4 8.084 -6.581 -3.965 1.00 0.00 N ATOM 51 CA THR A 4 6.945 -7.212 -4.584 1.00 0.00 C ATOM 52 C THR A 4 5.872 -7.510 -3.515 1.00 0.00 C ATOM 53 O THR A 4 4.683 -7.530 -3.811 1.00 0.00 O ATOM 54 CB THR A 4 7.346 -8.502 -5.376 1.00 0.00 C ATOM 55 OG1 THR A 4 6.262 -8.958 -6.196 1.00 0.00 O ATOM 56 CG2 THR A 4 7.774 -9.624 -4.445 1.00 0.00 C ATOM 0 H THR A 4 8.938 -7.138 -3.988 1.00 0.00 H new ATOM 0 HA THR A 4 6.527 -6.522 -5.317 1.00 0.00 H new ATOM 0 HB THR A 4 8.192 -8.233 -6.009 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.536 -9.764 -6.682 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.044 -10.501 -5.033 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.634 -9.302 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.951 -9.875 -3.776 1.00 0.00 H new ATOM 64 N LYS A 5 6.312 -7.681 -2.260 1.00 0.00 N ATOM 65 CA LYS A 5 5.420 -7.955 -1.146 1.00 0.00 C ATOM 66 C LYS A 5 4.640 -6.714 -0.776 1.00 0.00 C ATOM 67 O LYS A 5 3.467 -6.788 -0.426 1.00 0.00 O ATOM 68 CB LYS A 5 6.200 -8.468 0.057 1.00 0.00 C ATOM 69 CG LYS A 5 6.762 -9.858 -0.129 1.00 0.00 C ATOM 70 CD LYS A 5 7.591 -10.293 1.063 1.00 0.00 C ATOM 71 CE LYS A 5 7.807 -11.794 1.052 1.00 0.00 C ATOM 72 NZ LYS A 5 6.541 -12.525 1.297 1.00 0.00 N ATOM 0 H LYS A 5 7.297 -7.632 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 5 4.718 -8.729 -1.455 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.019 -7.780 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.548 -8.464 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.945 -10.563 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.377 -9.884 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.554 -9.783 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.090 -10.000 1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.223 -12.096 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.538 -12.063 1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.754 -13.480 1.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.976 -12.013 2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.004 -12.596 0.409 1.00 0.00 H new ATOM 86 N LEU A 6 5.286 -5.574 -0.885 1.00 0.00 N ATOM 87 CA LEU A 6 4.644 -4.309 -0.603 1.00 0.00 C ATOM 88 C LEU A 6 3.574 -4.049 -1.655 1.00 0.00 C ATOM 89 O LEU A 6 2.440 -3.685 -1.332 1.00 0.00 O ATOM 90 CB LEU A 6 5.670 -3.178 -0.594 1.00 0.00 C ATOM 91 CG LEU A 6 5.160 -1.797 -0.170 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.588 -1.845 1.244 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.282 -0.781 -0.251 1.00 0.00 C ATOM 0 H LEU A 6 6.263 -5.497 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 6 4.181 -4.350 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.484 -3.461 0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.093 -3.093 -1.595 1.00 0.00 H new ATOM 0 HG LEU A 6 4.363 -1.497 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.231 -0.854 1.526 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.759 -2.552 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.364 -2.163 1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.909 0.197 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.094 -1.082 0.412 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.651 -0.727 -1.275 1.00 0.00 H new ATOM 105 N ASN A 7 3.932 -4.287 -2.910 1.00 0.00 N ATOM 106 CA ASN A 7 2.993 -4.126 -4.022 1.00 0.00 C ATOM 107 C ASN A 7 1.872 -5.166 -3.919 1.00 0.00 C ATOM 108 O ASN A 7 0.730 -4.913 -4.289 1.00 0.00 O ATOM 109 CB ASN A 7 3.703 -4.256 -5.380 1.00 0.00 C ATOM 110 CG ASN A 7 2.784 -3.916 -6.554 1.00 0.00 C ATOM 111 OD1 ASN A 7 1.895 -3.074 -6.442 1.00 0.00 O ATOM 112 ND2 ASN A 7 2.971 -4.576 -7.672 1.00 0.00 N ATOM 0 H ASN A 7 4.865 -4.592 -3.188 1.00 0.00 H new ATOM 0 HA ASN A 7 2.567 -3.125 -3.957 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.570 -3.596 -5.398 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.075 -5.274 -5.496 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.371 -4.396 -8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.717 -5.269 -7.736 1.00 0.00 H new ATOM 119 N ASP A 8 2.211 -6.326 -3.375 1.00 0.00 N ATOM 120 CA ASP A 8 1.258 -7.424 -3.171 1.00 0.00 C ATOM 121 C ASP A 8 0.155 -6.994 -2.228 1.00 0.00 C ATOM 122 O ASP A 8 -1.024 -7.308 -2.446 1.00 0.00 O ATOM 123 CB ASP A 8 1.962 -8.656 -2.603 1.00 0.00 C ATOM 124 CG ASP A 8 1.025 -9.815 -2.391 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.679 -10.493 -3.379 1.00 0.00 O ATOM 126 OD2 ASP A 8 0.618 -10.072 -1.243 1.00 0.00 O ATOM 0 H ASP A 8 3.157 -6.540 -3.059 1.00 0.00 H new ATOM 0 HA ASP A 8 0.827 -7.680 -4.139 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.760 -8.959 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.432 -8.396 -1.654 1.00 0.00 H new ATOM 131 N ARG A 9 0.545 -6.255 -1.194 1.00 0.00 N ATOM 132 CA ARG A 9 -0.396 -5.710 -0.229 1.00 0.00 C ATOM 133 C ARG A 9 -1.339 -4.747 -0.924 1.00 0.00 C ATOM 134 O ARG A 9 -2.540 -4.769 -0.685 1.00 0.00 O ATOM 135 CB ARG A 9 0.335 -4.999 0.913 1.00 0.00 C ATOM 136 CG ARG A 9 1.242 -5.908 1.715 1.00 0.00 C ATOM 137 CD ARG A 9 1.991 -5.157 2.801 1.00 0.00 C ATOM 138 NE ARG A 9 1.098 -4.562 3.816 1.00 0.00 N ATOM 139 CZ ARG A 9 1.266 -4.683 5.149 1.00 0.00 C ATOM 140 NH1 ARG A 9 2.221 -5.478 5.640 1.00 0.00 N ATOM 141 NH2 ARG A 9 0.465 -4.031 5.978 1.00 0.00 N ATOM 0 H ARG A 9 1.519 -6.019 -1.004 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.968 -6.534 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.927 -4.182 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.401 -4.553 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.649 -6.703 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 9 1.958 -6.386 1.046 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.686 -5.838 3.292 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.588 -4.368 2.343 1.00 0.00 H new ATOM 0 HE ARG A 9 0.298 -4.022 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.828 -5.998 5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.343 -5.565 6.649 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.278 -3.438 5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.591 -4.122 6.986 1.00 0.00 H new ATOM 155 N ILE A 10 -0.782 -3.929 -1.812 1.00 0.00 N ATOM 156 CA ILE A 10 -1.565 -2.987 -2.600 1.00 0.00 C ATOM 157 C ILE A 10 -2.597 -3.753 -3.412 1.00 0.00 C ATOM 158 O ILE A 10 -3.789 -3.491 -3.311 1.00 0.00 O ATOM 159 CB ILE A 10 -0.674 -2.176 -3.576 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.405 -1.424 -2.800 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.522 -1.207 -4.406 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.374 -0.662 -3.667 1.00 0.00 C ATOM 0 H ILE A 10 0.219 -3.901 -2.004 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.045 -2.292 -1.911 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.188 -2.869 -4.262 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.076 -0.727 -2.114 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.962 -2.137 -2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.877 -0.648 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.256 -1.769 -4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.037 -0.514 -3.741 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.106 -0.157 -3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.886 -1.354 -4.336 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.831 0.077 -4.256 1.00 0.00 H new ATOM 174 N GLU A 11 -2.124 -4.735 -4.162 1.00 0.00 N ATOM 175 CA GLU A 11 -2.967 -5.569 -5.006 1.00 0.00 C ATOM 176 C GLU A 11 -4.104 -6.220 -4.222 1.00 0.00 C ATOM 177 O GLU A 11 -5.254 -6.240 -4.682 1.00 0.00 O ATOM 178 CB GLU A 11 -2.129 -6.628 -5.718 1.00 0.00 C ATOM 179 CG GLU A 11 -1.150 -6.057 -6.729 1.00 0.00 C ATOM 180 CD GLU A 11 -1.851 -5.299 -7.826 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.314 -5.928 -8.789 1.00 0.00 O ATOM 182 OE2 GLU A 11 -1.980 -4.077 -7.739 1.00 0.00 O ATOM 0 H GLU A 11 -1.134 -4.979 -4.203 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.423 -4.918 -5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.576 -7.201 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.796 -7.325 -6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.449 -5.395 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.565 -6.867 -7.164 1.00 0.00 H new ATOM 189 N ALA A 12 -3.794 -6.701 -3.036 1.00 0.00 N ATOM 190 CA ALA A 12 -4.779 -7.344 -2.192 1.00 0.00 C ATOM 191 C ALA A 12 -5.767 -6.331 -1.617 1.00 0.00 C ATOM 192 O ALA A 12 -6.933 -6.656 -1.392 1.00 0.00 O ATOM 193 CB ALA A 12 -4.107 -8.134 -1.082 1.00 0.00 C ATOM 0 H ALA A 12 -2.858 -6.658 -2.632 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.343 -8.040 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.867 -8.608 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.465 -8.900 -1.518 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.506 -7.462 -0.470 1.00 0.00 H new ATOM 199 N LYS A 13 -5.320 -5.109 -1.375 1.00 0.00 N ATOM 200 CA LYS A 13 -6.227 -4.098 -0.866 1.00 0.00 C ATOM 201 C LYS A 13 -7.112 -3.557 -1.973 1.00 0.00 C ATOM 202 O LYS A 13 -8.262 -3.234 -1.741 1.00 0.00 O ATOM 203 CB LYS A 13 -5.513 -2.973 -0.091 1.00 0.00 C ATOM 204 CG LYS A 13 -4.727 -3.461 1.132 1.00 0.00 C ATOM 205 CD LYS A 13 -5.549 -4.435 1.968 1.00 0.00 C ATOM 206 CE LYS A 13 -4.806 -4.904 3.204 1.00 0.00 C ATOM 207 NZ LYS A 13 -4.710 -3.863 4.241 1.00 0.00 N ATOM 0 H LYS A 13 -4.359 -4.800 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.867 -4.591 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.831 -2.457 -0.766 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.254 -2.242 0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.807 -3.946 0.806 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.437 -2.607 1.745 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -6.481 -3.956 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.816 -5.298 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.312 -5.777 3.617 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.803 -5.222 2.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.269 -4.262 5.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.131 -3.074 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.662 -3.516 4.474 1.00 0.00 H new ATOM 221 N LYS A 14 -6.574 -3.504 -3.183 1.00 0.00 N ATOM 222 CA LYS A 14 -7.321 -3.072 -4.365 1.00 0.00 C ATOM 223 C LYS A 14 -8.528 -3.970 -4.595 1.00 0.00 C ATOM 224 O LYS A 14 -9.642 -3.482 -4.776 1.00 0.00 O ATOM 225 CB LYS A 14 -6.403 -3.050 -5.600 1.00 0.00 C ATOM 226 CG LYS A 14 -5.337 -1.972 -5.516 1.00 0.00 C ATOM 227 CD LYS A 14 -4.213 -2.133 -6.536 1.00 0.00 C ATOM 228 CE LYS A 14 -4.681 -2.120 -7.963 1.00 0.00 C ATOM 229 NZ LYS A 14 -3.541 -2.247 -8.890 1.00 0.00 N ATOM 0 H LYS A 14 -5.606 -3.759 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.686 -2.059 -4.195 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.923 -4.023 -5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.006 -2.890 -6.494 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.807 -0.999 -5.658 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.908 -1.976 -4.514 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.489 -1.331 -6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.692 -3.071 -6.343 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.382 -2.938 -8.128 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.219 -1.194 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.893 -2.321 -9.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.930 -1.410 -8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.995 -3.100 -8.654 1.00 0.00 H new ATOM 243 N LYS A 15 -8.317 -5.280 -4.516 1.00 0.00 N ATOM 244 CA LYS A 15 -9.397 -6.236 -4.727 1.00 0.00 C ATOM 245 C LYS A 15 -10.412 -6.190 -3.572 1.00 0.00 C ATOM 246 O LYS A 15 -11.620 -6.439 -3.759 1.00 0.00 O ATOM 247 CB LYS A 15 -8.830 -7.664 -4.994 1.00 0.00 C ATOM 248 CG LYS A 15 -8.176 -8.393 -3.823 1.00 0.00 C ATOM 249 CD LYS A 15 -9.193 -9.022 -2.863 1.00 0.00 C ATOM 250 CE LYS A 15 -9.981 -10.171 -3.509 1.00 0.00 C ATOM 251 NZ LYS A 15 -9.112 -11.290 -3.940 1.00 0.00 N ATOM 0 H LYS A 15 -7.412 -5.702 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.947 -5.951 -5.624 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.645 -8.286 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.096 -7.590 -5.796 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.519 -9.173 -4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.549 -7.693 -3.271 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.672 -9.394 -1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.889 -8.255 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.720 -10.543 -2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.530 -9.790 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.700 -12.114 -4.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.564 -11.002 -4.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.461 -11.541 -3.169 1.00 0.00 H new ATOM 265 N GLU A 16 -9.922 -5.789 -2.410 1.00 0.00 N ATOM 266 CA GLU A 16 -10.707 -5.743 -1.201 1.00 0.00 C ATOM 267 C GLU A 16 -11.602 -4.540 -1.276 1.00 0.00 C ATOM 268 O GLU A 16 -12.794 -4.623 -1.022 1.00 0.00 O ATOM 269 CB GLU A 16 -9.776 -5.676 0.020 1.00 0.00 C ATOM 270 CG GLU A 16 -10.479 -5.649 1.363 1.00 0.00 C ATOM 271 CD GLU A 16 -9.513 -5.710 2.523 1.00 0.00 C ATOM 272 OE1 GLU A 16 -9.068 -6.828 2.867 1.00 0.00 O ATOM 273 OE2 GLU A 16 -9.178 -4.666 3.115 1.00 0.00 O ATOM 0 H GLU A 16 -8.957 -5.484 -2.285 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.318 -6.640 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.107 -6.536 -0.005 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.154 -4.785 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -11.076 -4.740 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.170 -6.490 1.425 1.00 0.00 H new ATOM 280 N LEU A 17 -11.020 -3.444 -1.700 1.00 0.00 N ATOM 281 CA LEU A 17 -11.718 -2.210 -1.893 1.00 0.00 C ATOM 282 C LEU A 17 -12.866 -2.340 -2.858 1.00 0.00 C ATOM 283 O LEU A 17 -13.941 -1.869 -2.569 1.00 0.00 O ATOM 284 CB LEU A 17 -10.763 -1.121 -2.319 1.00 0.00 C ATOM 285 CG LEU A 17 -10.000 -0.442 -1.188 1.00 0.00 C ATOM 286 CD1 LEU A 17 -8.992 0.537 -1.742 1.00 0.00 C ATOM 287 CD2 LEU A 17 -10.973 0.275 -0.258 1.00 0.00 C ATOM 0 H LEU A 17 -10.026 -3.391 -1.923 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.154 -1.933 -0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.042 -1.546 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.324 -0.361 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.465 -1.205 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.457 1.012 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.283 0.008 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.508 1.298 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.418 0.757 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.525 1.028 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.672 -0.447 0.165 1.00 0.00 H new ATOM 299 N ILE A 18 -12.644 -3.004 -3.979 1.00 0.00 N ATOM 300 CA ILE A 18 -13.704 -3.215 -4.974 1.00 0.00 C ATOM 301 C ILE A 18 -14.900 -3.915 -4.321 1.00 0.00 C ATOM 302 O ILE A 18 -16.054 -3.493 -4.486 1.00 0.00 O ATOM 303 CB ILE A 18 -13.193 -4.055 -6.171 1.00 0.00 C ATOM 304 CG1 ILE A 18 -12.004 -3.348 -6.824 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.311 -4.270 -7.193 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.324 -4.145 -7.915 1.00 0.00 C ATOM 0 H ILE A 18 -11.743 -3.410 -4.231 1.00 0.00 H new ATOM 0 HA ILE A 18 -14.013 -2.240 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.873 -5.031 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.345 -2.401 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.270 -3.111 -6.054 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.933 -4.862 -8.027 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.140 -4.797 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.658 -3.305 -7.562 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.493 -3.569 -8.322 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.948 -5.081 -7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -12.040 -4.360 -8.708 1.00 0.00 H new ATOM 318 N TYR A 19 -14.603 -4.935 -3.543 1.00 0.00 N ATOM 319 CA TYR A 19 -15.610 -5.680 -2.820 1.00 0.00 C ATOM 320 C TYR A 19 -16.308 -4.794 -1.763 1.00 0.00 C ATOM 321 O TYR A 19 -17.550 -4.762 -1.671 1.00 0.00 O ATOM 322 CB TYR A 19 -14.962 -6.920 -2.168 1.00 0.00 C ATOM 323 CG TYR A 19 -15.861 -7.653 -1.208 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.854 -8.505 -1.660 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.720 -7.472 0.157 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.690 -9.147 -0.772 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.542 -8.111 1.044 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.526 -8.945 0.578 1.00 0.00 C ATOM 329 OH TYR A 19 -18.361 -9.566 1.470 1.00 0.00 O ATOM 0 H TYR A 19 -13.652 -5.271 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.378 -6.009 -3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.650 -7.608 -2.953 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -14.061 -6.610 -1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.975 -8.669 -2.721 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.948 -6.815 0.528 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -18.468 -9.803 -1.134 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.417 -7.960 2.106 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.835 -10.140 2.065 1.00 0.00 H new ATOM 339 N LEU A 20 -15.509 -4.078 -0.990 1.00 0.00 N ATOM 340 CA LEU A 20 -15.998 -3.228 0.086 1.00 0.00 C ATOM 341 C LEU A 20 -16.849 -2.078 -0.432 1.00 0.00 C ATOM 342 O LEU A 20 -17.880 -1.766 0.157 1.00 0.00 O ATOM 343 CB LEU A 20 -14.840 -2.709 0.938 1.00 0.00 C ATOM 344 CG LEU A 20 -13.999 -3.777 1.646 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.833 -3.140 2.350 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.833 -4.576 2.635 1.00 0.00 C ATOM 0 H LEU A 20 -14.494 -4.069 -1.091 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.641 -3.844 0.715 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.181 -2.119 0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.243 -2.033 1.692 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.627 -4.465 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.244 -3.910 2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.209 -2.620 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.199 -2.428 3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.205 -5.324 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.245 -3.905 3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.647 -5.072 2.107 1.00 0.00 H new ATOM 358 N VAL A 21 -16.424 -1.461 -1.530 1.00 0.00 N ATOM 359 CA VAL A 21 -17.191 -0.386 -2.167 1.00 0.00 C ATOM 360 C VAL A 21 -18.593 -0.881 -2.530 1.00 0.00 C ATOM 361 O VAL A 21 -19.584 -0.182 -2.328 1.00 0.00 O ATOM 362 CB VAL A 21 -16.489 0.169 -3.457 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.383 1.165 -4.173 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.174 0.845 -3.124 1.00 0.00 C ATOM 0 H VAL A 21 -15.548 -1.686 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.254 0.428 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.297 -0.685 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -16.875 1.535 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.313 0.676 -4.463 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.604 2.000 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.714 1.218 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.355 1.677 -2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.506 0.127 -2.649 1.00 0.00 H new ATOM 374 N GLU A 22 -18.674 -2.078 -3.050 1.00 0.00 N ATOM 375 CA GLU A 22 -19.946 -2.645 -3.423 1.00 0.00 C ATOM 376 C GLU A 22 -20.836 -2.972 -2.230 1.00 0.00 C ATOM 377 O GLU A 22 -22.039 -2.723 -2.266 1.00 0.00 O ATOM 378 CB GLU A 22 -19.781 -3.833 -4.357 1.00 0.00 C ATOM 379 CG GLU A 22 -19.233 -3.438 -5.715 1.00 0.00 C ATOM 380 CD GLU A 22 -20.077 -2.363 -6.371 1.00 0.00 C ATOM 381 OE1 GLU A 22 -21.116 -2.693 -6.984 1.00 0.00 O ATOM 382 OE2 GLU A 22 -19.739 -1.162 -6.263 1.00 0.00 O ATOM 0 H GLU A 22 -17.871 -2.682 -3.226 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.472 -1.866 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -19.112 -4.561 -3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.745 -4.324 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.210 -3.079 -5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -19.195 -4.315 -6.361 1.00 0.00 H new ATOM 389 N LYS A 23 -20.257 -3.505 -1.170 1.00 0.00 N ATOM 390 CA LYS A 23 -21.018 -3.879 -0.035 1.00 0.00 C ATOM 391 C LYS A 23 -21.378 -2.672 0.859 1.00 0.00 C ATOM 392 O LYS A 23 -22.529 -2.523 1.270 1.00 0.00 O ATOM 393 CB LYS A 23 -20.287 -4.986 0.744 1.00 0.00 C ATOM 394 CG LYS A 23 -21.071 -5.486 1.916 1.00 0.00 C ATOM 395 CD LYS A 23 -20.524 -6.789 2.520 1.00 0.00 C ATOM 396 CE LYS A 23 -19.117 -6.652 3.081 1.00 0.00 C ATOM 397 NZ LYS A 23 -18.658 -7.906 3.738 1.00 0.00 N ATOM 0 H LYS A 23 -19.256 -3.682 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.971 -4.278 -0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.076 -5.818 0.072 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -19.326 -4.606 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -21.083 -4.716 2.688 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -22.104 -5.645 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -21.193 -7.121 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -20.528 -7.565 1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.429 -6.391 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -19.091 -5.834 3.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -17.772 -7.724 4.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.385 -8.234 4.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -18.496 -8.637 3.016 1.00 0.00 H new ATOM 411 N TYR A 24 -20.422 -1.806 1.126 1.00 0.00 N ATOM 412 CA TYR A 24 -20.647 -0.679 2.037 1.00 0.00 C ATOM 413 C TYR A 24 -21.061 0.599 1.317 1.00 0.00 C ATOM 414 O TYR A 24 -21.908 1.342 1.807 1.00 0.00 O ATOM 415 CB TYR A 24 -19.410 -0.402 2.892 1.00 0.00 C ATOM 416 CG TYR A 24 -19.053 -1.503 3.862 1.00 0.00 C ATOM 417 CD1 TYR A 24 -19.575 -1.516 5.149 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.189 -2.515 3.499 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.241 -2.511 6.045 1.00 0.00 C ATOM 420 CE2 TYR A 24 -17.852 -3.511 4.381 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.378 -3.507 5.654 1.00 0.00 C ATOM 422 OH TYR A 24 -18.034 -4.511 6.539 1.00 0.00 O ATOM 0 H TYR A 24 -19.482 -1.852 0.732 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.476 -0.980 2.678 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.560 -0.229 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.571 0.519 3.452 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.254 -0.734 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.770 -2.524 2.503 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -19.653 -2.507 7.043 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.176 -4.296 4.078 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.417 -5.134 6.103 1.00 0.00 H new ATOM 432 N GLY A 25 -20.483 0.851 0.176 1.00 0.00 N ATOM 433 CA GLY A 25 -20.774 2.067 -0.546 1.00 0.00 C ATOM 434 C GLY A 25 -19.533 2.923 -0.702 1.00 0.00 C ATOM 435 O GLY A 25 -18.516 2.661 -0.064 1.00 0.00 O ATOM 0 H GLY A 25 -19.808 0.235 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.176 1.822 -1.529 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.544 2.631 -0.019 1.00 0.00 H new ATOM 439 N PHE A 26 -19.619 3.948 -1.530 1.00 0.00 N ATOM 440 CA PHE A 26 -18.488 4.839 -1.797 1.00 0.00 C ATOM 441 C PHE A 26 -18.294 5.819 -0.660 1.00 0.00 C ATOM 442 O PHE A 26 -17.174 6.174 -0.318 1.00 0.00 O ATOM 443 CB PHE A 26 -18.708 5.651 -3.086 1.00 0.00 C ATOM 444 CG PHE A 26 -18.721 4.871 -4.371 1.00 0.00 C ATOM 445 CD1 PHE A 26 -19.892 4.330 -4.858 1.00 0.00 C ATOM 446 CD2 PHE A 26 -17.559 4.710 -5.105 1.00 0.00 C ATOM 447 CE1 PHE A 26 -19.908 3.635 -6.048 1.00 0.00 C ATOM 448 CE2 PHE A 26 -17.565 4.019 -6.299 1.00 0.00 C ATOM 449 CZ PHE A 26 -18.744 3.479 -6.771 1.00 0.00 C ATOM 0 H PHE A 26 -20.469 4.192 -2.038 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.608 4.205 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -19.656 6.182 -2.998 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.925 6.406 -3.152 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -20.808 4.452 -4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.635 5.131 -4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -20.832 3.213 -6.414 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -16.651 3.901 -6.862 1.00 0.00 H new ATOM 0 HZ PHE A 26 -18.755 2.936 -7.704 1.00 0.00 H new ATOM 459 N THR A 27 -19.390 6.228 -0.069 1.00 0.00 N ATOM 460 CA THR A 27 -19.402 7.266 0.938 1.00 0.00 C ATOM 461 C THR A 27 -19.099 6.732 2.335 1.00 0.00 C ATOM 462 O THR A 27 -18.943 7.505 3.293 1.00 0.00 O ATOM 463 CB THR A 27 -20.784 7.918 0.931 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.787 6.879 1.015 1.00 0.00 O ATOM 465 CG2 THR A 27 -20.998 8.706 -0.346 1.00 0.00 C ATOM 0 H THR A 27 -20.313 5.845 -0.275 1.00 0.00 H new ATOM 0 HA THR A 27 -18.619 7.985 0.697 1.00 0.00 H new ATOM 0 HB THR A 27 -20.860 8.598 1.779 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.679 7.285 1.013 1.00 0.00 H new ATOM 0 HG21 THR A 27 -21.988 9.162 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 27 -20.240 9.486 -0.424 1.00 0.00 H new ATOM 0 HG23 THR A 27 -20.920 8.038 -1.203 1.00 0.00 H new ATOM 473 N HIS A 28 -18.987 5.431 2.443 1.00 0.00 N ATOM 474 CA HIS A 28 -18.798 4.798 3.717 1.00 0.00 C ATOM 475 C HIS A 28 -17.351 5.013 4.171 1.00 0.00 C ATOM 476 O HIS A 28 -16.409 4.651 3.458 1.00 0.00 O ATOM 477 CB HIS A 28 -19.160 3.322 3.604 1.00 0.00 C ATOM 478 CG HIS A 28 -19.474 2.669 4.906 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.690 2.783 5.535 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.723 1.875 5.689 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.650 2.078 6.648 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.469 1.496 6.800 1.00 0.00 N ATOM 0 H HIS A 28 -19.025 4.787 1.653 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.451 5.237 4.472 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -20.020 3.220 2.942 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -18.332 2.791 3.134 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.704 1.579 5.488 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.471 1.987 7.344 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -19.170 0.897 7.569 1.00 0.00 H new ATOM 490 N HIS A 29 -17.192 5.585 5.364 1.00 0.00 N ATOM 491 CA HIS A 29 -15.890 6.037 5.882 1.00 0.00 C ATOM 492 C HIS A 29 -14.856 4.909 5.957 1.00 0.00 C ATOM 493 O HIS A 29 -13.667 5.156 5.755 1.00 0.00 O ATOM 494 CB HIS A 29 -16.053 6.729 7.253 1.00 0.00 C ATOM 495 CG HIS A 29 -14.837 7.490 7.731 1.00 0.00 C ATOM 496 ND1 HIS A 29 -14.680 8.852 7.579 1.00 0.00 N ATOM 497 CD2 HIS A 29 -13.722 7.062 8.376 1.00 0.00 C ATOM 498 CE1 HIS A 29 -13.515 9.202 8.114 1.00 0.00 C ATOM 499 NE2 HIS A 29 -12.887 8.150 8.614 1.00 0.00 N ATOM 0 H HIS A 29 -17.966 5.751 6.007 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.505 6.764 5.167 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.896 7.418 7.198 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -16.306 5.974 7.997 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.516 6.040 8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.132 10.211 8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -11.979 8.139 9.078 1.00 0.00 H new ATOM 507 N LYS A 30 -15.302 3.680 6.241 1.00 0.00 N ATOM 508 CA LYS A 30 -14.382 2.535 6.280 1.00 0.00 C ATOM 509 C LYS A 30 -13.680 2.378 4.944 1.00 0.00 C ATOM 510 O LYS A 30 -12.467 2.241 4.889 1.00 0.00 O ATOM 511 CB LYS A 30 -15.087 1.210 6.633 1.00 0.00 C ATOM 512 CG LYS A 30 -15.715 1.144 8.020 1.00 0.00 C ATOM 513 CD LYS A 30 -14.692 1.410 9.113 1.00 0.00 C ATOM 514 CE LYS A 30 -15.276 1.182 10.498 1.00 0.00 C ATOM 515 NZ LYS A 30 -16.460 2.027 10.774 1.00 0.00 N ATOM 0 H LYS A 30 -16.276 3.453 6.444 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.660 2.748 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -15.866 1.026 5.893 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.363 0.400 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -16.521 1.875 8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -16.162 0.161 8.171 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -13.829 0.759 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -14.333 2.436 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.554 0.133 10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.510 1.384 11.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.752 1.903 11.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -16.221 3.025 10.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -17.240 1.747 10.146 1.00 0.00 H new ATOM 529 N VAL A 31 -14.452 2.473 3.876 1.00 0.00 N ATOM 530 CA VAL A 31 -13.952 2.326 2.516 1.00 0.00 C ATOM 531 C VAL A 31 -12.923 3.415 2.221 1.00 0.00 C ATOM 532 O VAL A 31 -11.861 3.151 1.647 1.00 0.00 O ATOM 533 CB VAL A 31 -15.120 2.396 1.496 1.00 0.00 C ATOM 534 CG1 VAL A 31 -14.617 2.290 0.069 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.133 1.296 1.780 1.00 0.00 C ATOM 0 H VAL A 31 -15.454 2.656 3.927 1.00 0.00 H new ATOM 0 HA VAL A 31 -13.473 1.351 2.421 1.00 0.00 H new ATOM 0 HB VAL A 31 -15.605 3.366 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -15.461 2.343 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.930 3.111 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.099 1.341 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -16.947 1.356 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -15.647 0.324 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.531 1.419 2.787 1.00 0.00 H new ATOM 545 N ILE A 32 -13.229 4.615 2.673 1.00 0.00 N ATOM 546 CA ILE A 32 -12.344 5.763 2.529 1.00 0.00 C ATOM 547 C ILE A 32 -11.038 5.471 3.261 1.00 0.00 C ATOM 548 O ILE A 32 -9.952 5.615 2.701 1.00 0.00 O ATOM 549 CB ILE A 32 -12.976 7.022 3.167 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.387 7.270 2.621 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.090 8.251 2.953 1.00 0.00 C ATOM 552 CD1 ILE A 32 -14.465 7.561 1.134 1.00 0.00 C ATOM 0 H ILE A 32 -14.103 4.826 3.154 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.173 5.940 1.467 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.056 6.844 4.239 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.001 6.395 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.826 8.108 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.559 9.122 3.412 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.115 8.081 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.964 8.427 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.505 7.721 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -13.884 8.455 0.907 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.062 6.716 0.576 1.00 0.00 H new ATOM 564 N SER A 33 -11.178 5.051 4.500 1.00 0.00 N ATOM 565 CA SER A 33 -10.066 4.687 5.370 1.00 0.00 C ATOM 566 C SER A 33 -9.141 3.640 4.709 1.00 0.00 C ATOM 567 O SER A 33 -7.918 3.834 4.647 1.00 0.00 O ATOM 568 CB SER A 33 -10.615 4.167 6.709 1.00 0.00 C ATOM 569 OG SER A 33 -9.577 3.834 7.625 1.00 0.00 O ATOM 0 H SER A 33 -12.089 4.949 4.947 1.00 0.00 H new ATOM 0 HA SER A 33 -9.461 5.576 5.548 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.260 4.925 7.154 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.234 3.288 6.529 1.00 0.00 H new ATOM 0 HG SER A 33 -9.971 3.510 8.462 1.00 0.00 H new ATOM 575 N PHE A 34 -9.718 2.559 4.185 1.00 0.00 N ATOM 576 CA PHE A 34 -8.916 1.519 3.531 1.00 0.00 C ATOM 577 C PHE A 34 -8.227 2.081 2.282 1.00 0.00 C ATOM 578 O PHE A 34 -7.081 1.727 1.964 1.00 0.00 O ATOM 579 CB PHE A 34 -9.764 0.293 3.149 1.00 0.00 C ATOM 580 CG PHE A 34 -10.464 -0.396 4.288 1.00 0.00 C ATOM 581 CD1 PHE A 34 -9.769 -0.860 5.387 1.00 0.00 C ATOM 582 CD2 PHE A 34 -11.825 -0.577 4.250 1.00 0.00 C ATOM 583 CE1 PHE A 34 -10.425 -1.496 6.427 1.00 0.00 C ATOM 584 CE2 PHE A 34 -12.490 -1.208 5.279 1.00 0.00 C ATOM 585 CZ PHE A 34 -11.789 -1.669 6.371 1.00 0.00 C ATOM 0 H PHE A 34 -10.722 2.379 4.198 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.162 1.195 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -10.513 0.605 2.422 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.119 -0.431 2.652 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.699 -0.725 5.436 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.384 -0.218 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -9.868 -1.855 7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -13.561 -1.341 5.229 1.00 0.00 H new ATOM 0 HZ PHE A 34 -12.307 -2.164 7.179 1.00 0.00 H new ATOM 595 N SER A 35 -8.918 2.978 1.611 1.00 0.00 N ATOM 596 CA SER A 35 -8.425 3.629 0.423 1.00 0.00 C ATOM 597 C SER A 35 -7.262 4.597 0.765 1.00 0.00 C ATOM 598 O SER A 35 -6.353 4.811 -0.050 1.00 0.00 O ATOM 599 CB SER A 35 -9.586 4.334 -0.302 1.00 0.00 C ATOM 600 OG SER A 35 -9.184 4.897 -1.536 1.00 0.00 O ATOM 0 H SER A 35 -9.854 3.278 1.883 1.00 0.00 H new ATOM 0 HA SER A 35 -8.015 2.882 -0.257 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.391 3.619 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.989 5.118 0.339 1.00 0.00 H new ATOM 0 HG SER A 35 -9.951 5.332 -1.962 1.00 0.00 H new ATOM 606 N GLN A 36 -7.297 5.185 1.963 1.00 0.00 N ATOM 607 CA GLN A 36 -6.212 6.054 2.427 1.00 0.00 C ATOM 608 C GLN A 36 -4.933 5.250 2.564 1.00 0.00 C ATOM 609 O GLN A 36 -3.846 5.713 2.181 1.00 0.00 O ATOM 610 CB GLN A 36 -6.546 6.712 3.772 1.00 0.00 C ATOM 611 CG GLN A 36 -7.745 7.641 3.754 1.00 0.00 C ATOM 612 CD GLN A 36 -7.595 8.768 2.754 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.058 9.826 3.067 1.00 0.00 O ATOM 614 NE2 GLN A 36 -8.088 8.573 1.564 1.00 0.00 N ATOM 0 H GLN A 36 -8.063 5.076 2.628 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.081 6.844 1.687 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.724 5.928 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.675 7.274 4.110 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.641 7.067 3.517 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -7.889 8.061 4.750 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.528 7.682 1.334 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -8.034 9.311 0.862 1.00 0.00 H new ATOM 623 N GLU A 37 -5.075 4.034 3.088 1.00 0.00 N ATOM 624 CA GLU A 37 -3.955 3.123 3.255 1.00 0.00 C ATOM 625 C GLU A 37 -3.427 2.710 1.886 1.00 0.00 C ATOM 626 O GLU A 37 -2.226 2.678 1.664 1.00 0.00 O ATOM 627 CB GLU A 37 -4.388 1.878 4.018 1.00 0.00 C ATOM 628 CG GLU A 37 -3.255 0.895 4.280 1.00 0.00 C ATOM 629 CD GLU A 37 -3.742 -0.429 4.786 1.00 0.00 C ATOM 630 OE1 GLU A 37 -4.028 -0.562 5.993 1.00 0.00 O ATOM 631 OE2 GLU A 37 -3.865 -1.377 3.972 1.00 0.00 O ATOM 0 H GLU A 37 -5.968 3.658 3.406 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.174 3.632 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.823 2.180 4.971 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.173 1.372 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.692 0.742 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.567 1.326 5.007 1.00 0.00 H new ATOM 638 N LEU A 38 -4.354 2.424 0.975 1.00 0.00 N ATOM 639 CA LEU A 38 -4.040 2.005 -0.391 1.00 0.00 C ATOM 640 C LEU A 38 -3.140 3.045 -1.060 1.00 0.00 C ATOM 641 O LEU A 38 -2.057 2.720 -1.567 1.00 0.00 O ATOM 642 CB LEU A 38 -5.372 1.791 -1.175 1.00 0.00 C ATOM 643 CG LEU A 38 -5.316 1.193 -2.609 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.795 2.177 -3.655 1.00 0.00 C ATOM 645 CD2 LEU A 38 -4.488 -0.071 -2.612 1.00 0.00 C ATOM 0 H LEU A 38 -5.355 2.477 1.165 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.494 1.062 -0.384 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.007 1.142 -0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.874 2.756 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.343 0.962 -2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.782 1.695 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.446 3.050 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.785 2.488 -3.390 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.455 -0.482 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.475 0.157 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.936 -0.801 -1.937 1.00 0.00 H new ATOM 657 N ASP A 39 -3.578 4.287 -1.014 1.00 0.00 N ATOM 658 CA ASP A 39 -2.836 5.404 -1.588 1.00 0.00 C ATOM 659 C ASP A 39 -1.459 5.553 -0.927 1.00 0.00 C ATOM 660 O ASP A 39 -0.466 5.852 -1.592 1.00 0.00 O ATOM 661 CB ASP A 39 -3.660 6.692 -1.463 1.00 0.00 C ATOM 662 CG ASP A 39 -2.916 7.935 -1.885 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.736 8.167 -3.101 1.00 0.00 O ATOM 664 OD2 ASP A 39 -2.531 8.720 -0.998 1.00 0.00 O ATOM 0 H ASP A 39 -4.460 4.556 -0.578 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.663 5.204 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.561 6.596 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.983 6.807 -0.428 1.00 0.00 H new ATOM 669 N ARG A 40 -1.406 5.285 0.367 1.00 0.00 N ATOM 670 CA ARG A 40 -0.168 5.366 1.140 1.00 0.00 C ATOM 671 C ARG A 40 0.810 4.283 0.694 1.00 0.00 C ATOM 672 O ARG A 40 1.995 4.551 0.492 1.00 0.00 O ATOM 673 CB ARG A 40 -0.486 5.216 2.622 1.00 0.00 C ATOM 674 CG ARG A 40 0.702 5.335 3.564 1.00 0.00 C ATOM 675 CD ARG A 40 0.232 5.239 5.002 1.00 0.00 C ATOM 676 NE ARG A 40 -0.772 6.278 5.297 1.00 0.00 N ATOM 677 CZ ARG A 40 -1.937 6.079 5.944 1.00 0.00 C ATOM 678 NH1 ARG A 40 -2.237 4.873 6.435 1.00 0.00 N ATOM 679 NH2 ARG A 40 -2.794 7.096 6.099 1.00 0.00 N ATOM 0 H ARG A 40 -2.219 5.004 0.916 1.00 0.00 H new ATOM 0 HA ARG A 40 0.298 6.336 0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.221 5.973 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.955 4.244 2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.424 4.545 3.355 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.212 6.284 3.402 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.195 4.253 5.184 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.083 5.348 5.675 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.567 7.227 4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.583 4.099 6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.120 4.727 6.924 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.564 8.018 5.728 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.677 6.949 6.588 1.00 0.00 H new ATOM 693 N LEU A 41 0.295 3.074 0.522 1.00 0.00 N ATOM 694 CA LEU A 41 1.087 1.930 0.072 1.00 0.00 C ATOM 695 C LEU A 41 1.677 2.201 -1.301 1.00 0.00 C ATOM 696 O LEU A 41 2.846 1.916 -1.554 1.00 0.00 O ATOM 697 CB LEU A 41 0.229 0.668 0.015 1.00 0.00 C ATOM 698 CG LEU A 41 -0.386 0.186 1.325 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.296 -1.003 1.066 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.699 -0.186 2.325 1.00 0.00 C ATOM 0 H LEU A 41 -0.687 2.854 0.690 1.00 0.00 H new ATOM 0 HA LEU A 41 1.895 1.778 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.580 0.841 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.841 -0.139 -0.389 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.977 0.998 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.731 -1.340 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.093 -0.709 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.718 -1.814 0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.238 -0.527 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.316 -0.984 1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.321 0.686 2.528 1.00 0.00 H new ATOM 712 N LEU A 42 0.861 2.766 -2.176 1.00 0.00 N ATOM 713 CA LEU A 42 1.296 3.135 -3.516 1.00 0.00 C ATOM 714 C LEU A 42 2.387 4.193 -3.433 1.00 0.00 C ATOM 715 O LEU A 42 3.404 4.124 -4.132 1.00 0.00 O ATOM 716 CB LEU A 42 0.116 3.686 -4.324 1.00 0.00 C ATOM 717 CG LEU A 42 0.446 4.196 -5.730 1.00 0.00 C ATOM 718 CD1 LEU A 42 0.848 3.055 -6.651 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.709 5.002 -6.299 1.00 0.00 C ATOM 0 H LEU A 42 -0.117 2.981 -1.980 1.00 0.00 H new ATOM 0 HA LEU A 42 1.686 2.246 -4.012 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.637 2.903 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.336 4.502 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 42 1.305 4.863 -5.655 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.076 3.450 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.729 2.555 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.028 2.341 -6.725 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.450 5.353 -7.298 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.598 4.374 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.908 5.858 -5.654 1.00 0.00 H new ATOM 731 N ASN A 43 2.183 5.143 -2.540 1.00 0.00 N ATOM 732 CA ASN A 43 3.095 6.255 -2.355 1.00 0.00 C ATOM 733 C ASN A 43 4.456 5.772 -1.882 1.00 0.00 C ATOM 734 O ASN A 43 5.473 6.365 -2.203 1.00 0.00 O ATOM 735 CB ASN A 43 2.508 7.264 -1.374 1.00 0.00 C ATOM 736 CG ASN A 43 3.316 8.531 -1.288 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.204 8.671 -0.446 1.00 0.00 O ATOM 738 ND2 ASN A 43 3.023 9.452 -2.167 1.00 0.00 N ATOM 0 H ASN A 43 1.374 5.165 -1.919 1.00 0.00 H new ATOM 0 HA ASN A 43 3.233 6.747 -3.318 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.490 7.508 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.447 6.809 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.539 10.332 -2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.279 9.291 -2.846 1.00 0.00 H new ATOM 745 N LEU A 44 4.464 4.668 -1.150 1.00 0.00 N ATOM 746 CA LEU A 44 5.698 4.051 -0.677 1.00 0.00 C ATOM 747 C LEU A 44 6.582 3.638 -1.847 1.00 0.00 C ATOM 748 O LEU A 44 7.771 3.938 -1.861 1.00 0.00 O ATOM 749 CB LEU A 44 5.399 2.839 0.201 1.00 0.00 C ATOM 750 CG LEU A 44 4.692 3.119 1.521 1.00 0.00 C ATOM 751 CD1 LEU A 44 4.343 1.817 2.211 1.00 0.00 C ATOM 752 CD2 LEU A 44 5.573 3.969 2.422 1.00 0.00 C ATOM 0 H LEU A 44 3.618 4.174 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 44 6.231 4.792 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.788 2.143 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.340 2.333 0.418 1.00 0.00 H new ATOM 0 HG LEU A 44 3.772 3.667 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.838 2.029 3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.684 1.231 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.255 1.253 2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.055 4.161 3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.505 3.441 2.623 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.792 4.916 1.928 1.00 0.00 H new ATOM 764 N LEU A 45 5.989 2.979 -2.841 1.00 0.00 N ATOM 765 CA LEU A 45 6.736 2.549 -4.025 1.00 0.00 C ATOM 766 C LEU A 45 7.290 3.761 -4.743 1.00 0.00 C ATOM 767 O LEU A 45 8.459 3.795 -5.135 1.00 0.00 O ATOM 768 CB LEU A 45 5.841 1.757 -4.987 1.00 0.00 C ATOM 769 CG LEU A 45 5.259 0.442 -4.470 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.347 -0.162 -5.521 1.00 0.00 C ATOM 771 CD2 LEU A 45 6.370 -0.539 -4.116 1.00 0.00 C ATOM 0 H LEU A 45 5.000 2.732 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 45 7.550 1.902 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.013 2.400 -5.286 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.418 1.542 -5.886 1.00 0.00 H new ATOM 0 HG LEU A 45 4.684 0.647 -3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.934 -1.100 -5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.535 0.531 -5.740 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.916 -0.352 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.932 -1.468 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.970 -0.745 -5.003 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.004 -0.107 -3.342 1.00 0.00 H new ATOM 783 N ILE A 46 6.450 4.767 -4.866 1.00 0.00 N ATOM 784 CA ILE A 46 6.801 6.009 -5.519 1.00 0.00 C ATOM 785 C ILE A 46 7.951 6.703 -4.772 1.00 0.00 C ATOM 786 O ILE A 46 8.866 7.238 -5.395 1.00 0.00 O ATOM 787 CB ILE A 46 5.562 6.947 -5.617 1.00 0.00 C ATOM 788 CG1 ILE A 46 4.438 6.234 -6.392 1.00 0.00 C ATOM 789 CG2 ILE A 46 5.926 8.273 -6.294 1.00 0.00 C ATOM 790 CD1 ILE A 46 3.132 6.996 -6.451 1.00 0.00 C ATOM 0 H ILE A 46 5.494 4.744 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 46 7.137 5.783 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 46 5.215 7.176 -4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.780 6.045 -7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.256 5.263 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.042 8.908 -6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.700 8.777 -5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.296 8.078 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.399 6.419 -7.015 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.762 7.162 -5.439 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.293 7.956 -6.941 1.00 0.00 H new ATOM 802 N GLU A 47 7.917 6.650 -3.452 1.00 0.00 N ATOM 803 CA GLU A 47 8.942 7.257 -2.617 1.00 0.00 C ATOM 804 C GLU A 47 10.304 6.582 -2.854 1.00 0.00 C ATOM 805 O GLU A 47 11.310 7.262 -3.050 1.00 0.00 O ATOM 806 CB GLU A 47 8.556 7.183 -1.137 1.00 0.00 C ATOM 807 CG GLU A 47 9.477 7.976 -0.230 1.00 0.00 C ATOM 808 CD GLU A 47 9.168 7.798 1.229 1.00 0.00 C ATOM 809 OE1 GLU A 47 8.218 8.426 1.738 1.00 0.00 O ATOM 810 OE2 GLU A 47 9.892 7.037 1.902 1.00 0.00 O ATOM 0 H GLU A 47 7.177 6.184 -2.927 1.00 0.00 H new ATOM 0 HA GLU A 47 9.025 8.308 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.537 7.550 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.558 6.140 -0.821 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.508 7.674 -0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.404 9.034 -0.484 1.00 0.00 H new ATOM 817 N LEU A 48 10.331 5.253 -2.868 1.00 0.00 N ATOM 818 CA LEU A 48 11.582 4.529 -3.138 1.00 0.00 C ATOM 819 C LEU A 48 12.118 4.852 -4.531 1.00 0.00 C ATOM 820 O LEU A 48 13.328 5.053 -4.710 1.00 0.00 O ATOM 821 CB LEU A 48 11.452 2.993 -2.955 1.00 0.00 C ATOM 822 CG LEU A 48 11.562 2.411 -1.519 1.00 0.00 C ATOM 823 CD1 LEU A 48 12.900 2.760 -0.878 1.00 0.00 C ATOM 824 CD2 LEU A 48 10.409 2.844 -0.630 1.00 0.00 C ATOM 0 H LEU A 48 9.520 4.658 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 48 12.295 4.878 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 48 10.488 2.690 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU A 48 12.221 2.519 -3.566 1.00 0.00 H new ATOM 0 HG LEU A 48 11.503 1.327 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.944 2.338 0.126 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.710 2.349 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.004 3.843 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.532 2.411 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 48 10.398 3.931 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.468 2.501 -1.061 1.00 0.00 H new ATOM 836 N LYS A 49 11.214 4.952 -5.493 1.00 0.00 N ATOM 837 CA LYS A 49 11.580 5.246 -6.876 1.00 0.00 C ATOM 838 C LYS A 49 12.060 6.691 -7.045 1.00 0.00 C ATOM 839 O LYS A 49 12.928 6.971 -7.876 1.00 0.00 O ATOM 840 CB LYS A 49 10.402 4.956 -7.818 1.00 0.00 C ATOM 841 CG LYS A 49 9.997 3.484 -7.857 1.00 0.00 C ATOM 842 CD LYS A 49 8.735 3.242 -8.690 1.00 0.00 C ATOM 843 CE LYS A 49 8.934 3.604 -10.152 1.00 0.00 C ATOM 844 NZ LYS A 49 7.733 3.315 -10.956 1.00 0.00 N ATOM 0 H LYS A 49 10.212 4.833 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 49 12.412 4.593 -7.140 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.544 5.552 -7.507 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.666 5.278 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.818 2.896 -8.268 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.830 3.130 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.447 2.194 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.913 3.830 -8.281 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.180 4.663 -10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.782 3.048 -10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.908 3.575 -11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.513 2.300 -10.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.930 3.865 -10.590 1.00 0.00 H new ATOM 858 N THR A 50 11.502 7.600 -6.268 1.00 0.00 N ATOM 859 CA THR A 50 11.888 8.996 -6.342 1.00 0.00 C ATOM 860 C THR A 50 13.197 9.263 -5.614 1.00 0.00 C ATOM 861 O THR A 50 14.020 10.077 -6.066 1.00 0.00 O ATOM 862 CB THR A 50 10.764 9.936 -5.852 1.00 0.00 C ATOM 863 OG1 THR A 50 10.228 9.465 -4.616 1.00 0.00 O ATOM 864 CG2 THR A 50 9.664 10.016 -6.880 1.00 0.00 C ATOM 0 H THR A 50 10.779 7.396 -5.578 1.00 0.00 H new ATOM 0 HA THR A 50 12.054 9.218 -7.396 1.00 0.00 H new ATOM 0 HB THR A 50 11.188 10.929 -5.703 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.642 8.698 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.879 10.682 -6.522 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.068 10.402 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.249 9.022 -7.047 1.00 0.00 H new ATOM 872 N LYS A 51 13.397 8.582 -4.497 1.00 0.00 N ATOM 873 CA LYS A 51 14.630 8.680 -3.757 1.00 0.00 C ATOM 874 C LYS A 51 15.770 8.095 -4.567 1.00 0.00 C ATOM 875 O LYS A 51 16.855 8.658 -4.588 1.00 0.00 O ATOM 876 CB LYS A 51 14.512 7.984 -2.399 1.00 0.00 C ATOM 877 CG LYS A 51 13.642 8.718 -1.390 1.00 0.00 C ATOM 878 CD LYS A 51 13.442 7.890 -0.132 1.00 0.00 C ATOM 879 CE LYS A 51 12.824 8.713 0.988 1.00 0.00 C ATOM 880 NZ LYS A 51 12.561 7.893 2.188 1.00 0.00 N ATOM 0 H LYS A 51 12.709 7.951 -4.085 1.00 0.00 H new ATOM 0 HA LYS A 51 14.839 9.733 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.106 6.984 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 51 15.510 7.862 -1.979 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.105 9.671 -1.132 1.00 0.00 H new ATOM 0 HG3 LYS A 51 12.674 8.945 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.800 7.038 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 51 14.401 7.489 0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.492 9.534 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.892 9.159 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 12.702 8.471 3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 11.581 7.546 2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 13.215 7.084 2.206 1.00 0.00 H new ATOM 894 N LYS A 52 15.495 6.934 -5.213 1.00 0.00 N ATOM 895 CA LYS A 52 16.416 6.172 -6.126 1.00 0.00 C ATOM 896 C LYS A 52 17.792 5.899 -5.530 1.00 0.00 C ATOM 897 O LYS A 52 18.714 5.489 -6.233 1.00 0.00 O ATOM 898 CB LYS A 52 16.583 6.824 -7.511 1.00 0.00 C ATOM 899 CG LYS A 52 17.312 8.167 -7.522 1.00 0.00 C ATOM 900 CD LYS A 52 17.793 8.520 -8.923 1.00 0.00 C ATOM 901 CE LYS A 52 16.641 8.614 -9.911 1.00 0.00 C ATOM 902 NZ LYS A 52 17.114 8.840 -11.281 1.00 0.00 N ATOM 0 H LYS A 52 14.590 6.475 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 52 15.908 5.216 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 52 17.123 6.132 -8.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.595 6.963 -7.949 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.646 8.948 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.163 8.128 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.326 9.470 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.503 7.766 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.056 7.695 -9.876 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.976 9.426 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.299 8.898 -11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 17.651 9.730 -11.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.728 8.052 -11.571 1.00 0.00 H new ATOM 916 N LYS A 53 17.904 6.054 -4.240 1.00 0.00 N ATOM 917 CA LYS A 53 19.159 5.888 -3.561 1.00 0.00 C ATOM 918 C LYS A 53 19.576 4.420 -3.451 1.00 0.00 C ATOM 919 O LYS A 53 20.678 4.088 -3.017 1.00 0.00 O ATOM 920 CB LYS A 53 19.175 6.692 -2.257 1.00 0.00 C ATOM 921 CG LYS A 53 18.010 6.454 -1.269 1.00 0.00 C ATOM 922 CD LYS A 53 18.021 5.057 -0.659 1.00 0.00 C ATOM 923 CE LYS A 53 16.996 4.907 0.463 1.00 0.00 C ATOM 924 NZ LYS A 53 17.299 5.766 1.634 1.00 0.00 N ATOM 0 H LYS A 53 17.126 6.300 -3.628 1.00 0.00 H new ATOM 0 HA LYS A 53 19.955 6.318 -4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 53 20.109 6.476 -1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 19.191 7.751 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 53 18.062 7.194 -0.470 1.00 0.00 H new ATOM 0 HG3 LYS A 53 17.064 6.611 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 53 17.815 4.322 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 53 19.016 4.840 -0.271 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.006 5.157 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.962 3.865 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.726 5.460 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 18.308 5.685 1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 17.076 6.756 1.406 1.00 0.00 H new ATOM 938 N ARG A 54 18.663 3.558 -3.832 1.00 0.00 N ATOM 939 CA ARG A 54 18.968 2.185 -4.062 1.00 0.00 C ATOM 940 C ARG A 54 19.165 2.108 -5.547 1.00 0.00 C ATOM 941 O ARG A 54 18.204 2.238 -6.312 1.00 0.00 O ATOM 942 CB ARG A 54 17.833 1.246 -3.655 1.00 0.00 C ATOM 943 CG ARG A 54 17.518 1.201 -2.174 1.00 0.00 C ATOM 944 CD ARG A 54 16.450 0.156 -1.916 1.00 0.00 C ATOM 945 NE ARG A 54 16.075 0.047 -0.509 1.00 0.00 N ATOM 946 CZ ARG A 54 15.253 -0.900 -0.025 1.00 0.00 C ATOM 947 NH1 ARG A 54 14.807 -1.878 -0.822 1.00 0.00 N ATOM 948 NH2 ARG A 54 14.910 -0.886 1.258 1.00 0.00 N ATOM 0 H ARG A 54 17.685 3.801 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 54 19.831 1.874 -3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.931 1.542 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 54 18.084 0.238 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.418 0.964 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.175 2.178 -1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.564 0.399 -2.503 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.808 -0.813 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 54 16.459 0.729 0.145 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.091 -1.907 -1.801 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.183 -2.594 -0.450 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.270 -0.157 1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 54 14.286 -1.604 1.627 1.00 0.00 H new ATOM 962 N TYR A 55 20.373 1.887 -5.960 1.00 0.00 N ATOM 963 CA TYR A 55 20.755 1.976 -7.368 1.00 0.00 C ATOM 964 C TYR A 55 20.398 0.717 -8.134 1.00 0.00 C ATOM 965 O TYR A 55 20.928 0.454 -9.207 1.00 0.00 O ATOM 966 CB TYR A 55 22.240 2.281 -7.465 1.00 0.00 C ATOM 967 CG TYR A 55 22.613 3.490 -6.651 1.00 0.00 C ATOM 968 CD1 TYR A 55 22.228 4.757 -7.048 1.00 0.00 C ATOM 969 CD2 TYR A 55 23.331 3.358 -5.474 1.00 0.00 C ATOM 970 CE1 TYR A 55 22.551 5.866 -6.293 1.00 0.00 C ATOM 971 CE2 TYR A 55 23.660 4.458 -4.713 1.00 0.00 C ATOM 972 CZ TYR A 55 23.266 5.711 -5.126 1.00 0.00 C ATOM 973 OH TYR A 55 23.606 6.818 -4.374 1.00 0.00 O ATOM 0 H TYR A 55 21.142 1.636 -5.338 1.00 0.00 H new ATOM 0 HA TYR A 55 20.191 2.786 -7.831 1.00 0.00 H new ATOM 0 HB2 TYR A 55 22.812 1.419 -7.120 1.00 0.00 H new ATOM 0 HB3 TYR A 55 22.510 2.447 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 55 21.666 4.881 -7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 55 23.638 2.376 -5.147 1.00 0.00 H new ATOM 0 HE1 TYR A 55 22.245 6.850 -6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.223 4.339 -3.799 1.00 0.00 H new ATOM 0 HH TYR A 55 24.108 6.534 -3.582 1.00 0.00 H new ATOM 983 N SER A 56 19.418 0.019 -7.610 1.00 0.00 N ATOM 984 CA SER A 56 18.899 -1.215 -8.154 1.00 0.00 C ATOM 985 C SER A 56 18.246 -0.940 -9.523 1.00 0.00 C ATOM 986 O SER A 56 18.122 -1.831 -10.359 1.00 0.00 O ATOM 987 CB SER A 56 17.884 -1.813 -7.148 1.00 0.00 C ATOM 988 OG SER A 56 17.510 -3.147 -7.466 1.00 0.00 O ATOM 0 H SER A 56 18.940 0.308 -6.756 1.00 0.00 H new ATOM 0 HA SER A 56 19.702 -1.936 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 56 18.316 -1.791 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 56 16.992 -1.187 -7.124 1.00 0.00 H new ATOM 0 HG SER A 56 16.871 -3.475 -6.800 1.00 0.00 H new ATOM 994 N LEU A 57 17.867 0.323 -9.743 1.00 0.00 N ATOM 995 CA LEU A 57 17.286 0.759 -11.004 1.00 0.00 C ATOM 996 C LEU A 57 18.367 0.785 -12.092 1.00 0.00 C ATOM 997 O LEU A 57 18.086 0.607 -13.273 1.00 0.00 O ATOM 998 CB LEU A 57 16.673 2.161 -10.846 1.00 0.00 C ATOM 999 CG LEU A 57 15.568 2.316 -9.787 1.00 0.00 C ATOM 1000 CD1 LEU A 57 15.123 3.770 -9.692 1.00 0.00 C ATOM 1001 CD2 LEU A 57 14.378 1.423 -10.113 1.00 0.00 C ATOM 0 H LEU A 57 17.957 1.066 -9.050 1.00 0.00 H new ATOM 0 HA LEU A 57 16.501 0.060 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.476 2.858 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 57 16.265 2.465 -11.810 1.00 0.00 H new ATOM 0 HG LEU A 57 15.975 2.009 -8.824 1.00 0.00 H new ATOM 0 HD11 LEU A 57 14.341 3.863 -8.938 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.972 4.393 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 57 14.737 4.096 -10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.609 1.549 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.973 1.698 -11.087 1.00 0.00 H new ATOM 0 HD23 LEU A 57 14.700 0.382 -10.135 1.00 0.00 H new ATOM 1013 N LEU A 58 19.607 0.980 -11.672 1.00 0.00 N ATOM 1014 CA LEU A 58 20.732 1.052 -12.583 1.00 0.00 C ATOM 1015 C LEU A 58 21.375 -0.321 -12.703 1.00 0.00 C ATOM 1016 O LEU A 58 21.531 -0.854 -13.802 1.00 0.00 O ATOM 1017 CB LEU A 58 21.790 2.102 -12.136 1.00 0.00 C ATOM 1018 CG LEU A 58 21.374 3.597 -12.121 1.00 0.00 C ATOM 1019 CD1 LEU A 58 20.384 3.912 -11.004 1.00 0.00 C ATOM 1020 CD2 LEU A 58 22.599 4.494 -12.017 1.00 0.00 C ATOM 0 H LEU A 58 19.859 1.092 -10.690 1.00 0.00 H new ATOM 0 HA LEU A 58 20.354 1.374 -13.553 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.119 1.837 -11.131 1.00 0.00 H new ATOM 0 HB3 LEU A 58 22.656 2.003 -12.791 1.00 0.00 H new ATOM 0 HG LEU A 58 20.868 3.797 -13.065 1.00 0.00 H new ATOM 0 HD11 LEU A 58 20.124 4.970 -11.036 1.00 0.00 H new ATOM 0 HD12 LEU A 58 19.483 3.313 -11.137 1.00 0.00 H new ATOM 0 HD13 LEU A 58 20.836 3.678 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 58 22.286 5.538 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 58 23.138 4.269 -11.097 1.00 0.00 H new ATOM 0 HD23 LEU A 58 23.252 4.319 -12.872 1.00 0.00 H new ATOM 1032 N GLU A 59 21.701 -0.898 -11.576 1.00 0.00 N ATOM 1033 CA GLU A 59 22.288 -2.199 -11.506 1.00 0.00 C ATOM 1034 C GLU A 59 21.654 -2.928 -10.339 1.00 0.00 C ATOM 1035 O GLU A 59 21.480 -2.349 -9.267 1.00 0.00 O ATOM 1036 CB GLU A 59 23.827 -2.115 -11.346 1.00 0.00 C ATOM 1037 CG GLU A 59 24.312 -1.320 -10.132 1.00 0.00 C ATOM 1038 CD GLU A 59 25.816 -1.340 -9.988 1.00 0.00 C ATOM 1039 OE1 GLU A 59 26.361 -2.321 -9.433 1.00 0.00 O ATOM 1040 OE2 GLU A 59 26.495 -0.377 -10.425 1.00 0.00 O ATOM 0 H GLU A 59 21.560 -0.462 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 59 22.104 -2.742 -12.433 1.00 0.00 H new ATOM 0 HB2 GLU A 59 24.225 -3.127 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 59 24.246 -1.665 -12.246 1.00 0.00 H new ATOM 0 HG2 GLU A 59 23.973 -0.288 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 59 23.859 -1.730 -9.229 1.00 0.00 H new ATOM 1047 N HIS A 60 21.266 -4.152 -10.540 1.00 0.00 N ATOM 1048 CA HIS A 60 20.636 -4.903 -9.470 1.00 0.00 C ATOM 1049 C HIS A 60 21.698 -5.372 -8.497 1.00 0.00 C ATOM 1050 O HIS A 60 22.308 -6.436 -8.674 1.00 0.00 O ATOM 1051 CB HIS A 60 19.804 -6.094 -9.984 1.00 0.00 C ATOM 1052 CG HIS A 60 18.952 -6.738 -8.913 1.00 0.00 C ATOM 1053 ND1 HIS A 60 19.367 -7.780 -8.103 1.00 0.00 N ATOM 1054 CD2 HIS A 60 17.691 -6.443 -8.513 1.00 0.00 C ATOM 1055 CE1 HIS A 60 18.377 -8.072 -7.260 1.00 0.00 C ATOM 1056 NE2 HIS A 60 17.332 -7.292 -7.464 1.00 0.00 N ATOM 0 H HIS A 60 21.368 -4.656 -11.421 1.00 0.00 H new ATOM 0 HA HIS A 60 19.935 -4.238 -8.965 1.00 0.00 H new ATOM 0 HB2 HIS A 60 19.160 -5.755 -10.795 1.00 0.00 H new ATOM 0 HB3 HIS A 60 20.476 -6.843 -10.403 1.00 0.00 H new ATOM 0 HD1 HIS A 60 20.274 -8.245 -8.144 1.00 0.00 H new ATOM 0 HD2 HIS A 60 17.064 -5.674 -8.938 1.00 0.00 H new ATOM 0 HE1 HIS A 60 18.424 -8.846 -6.508 1.00 0.00 H new ATOM 1064 N HIS A 61 21.962 -4.552 -7.530 1.00 0.00 N ATOM 1065 CA HIS A 61 22.941 -4.843 -6.538 1.00 0.00 C ATOM 1066 C HIS A 61 22.428 -5.836 -5.517 1.00 0.00 C ATOM 1067 O HIS A 61 21.372 -5.657 -4.927 1.00 0.00 O ATOM 1068 CB HIS A 61 23.499 -3.559 -5.864 1.00 0.00 C ATOM 1069 CG HIS A 61 22.466 -2.597 -5.322 1.00 0.00 C ATOM 1070 ND1 HIS A 61 21.737 -2.798 -4.171 1.00 0.00 N ATOM 1071 CD2 HIS A 61 22.059 -1.403 -5.807 1.00 0.00 C ATOM 1072 CE1 HIS A 61 20.933 -1.751 -3.996 1.00 0.00 C ATOM 1073 NE2 HIS A 61 21.089 -0.868 -4.964 1.00 0.00 N ATOM 0 H HIS A 61 21.497 -3.652 -7.408 1.00 0.00 H new ATOM 0 HA HIS A 61 23.778 -5.313 -7.054 1.00 0.00 H new ATOM 0 HB2 HIS A 61 24.155 -3.857 -5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 61 24.116 -3.029 -6.590 1.00 0.00 H new ATOM 0 HD1 HIS A 61 21.802 -3.610 -3.557 1.00 0.00 H new ATOM 0 HD2 HIS A 61 22.429 -0.937 -6.708 1.00 0.00 H new ATOM 0 HE1 HIS A 61 20.245 -1.639 -3.171 1.00 0.00 H new ATOM 1081 N HIS A 62 23.163 -6.899 -5.365 1.00 0.00 N ATOM 1082 CA HIS A 62 22.884 -7.915 -4.363 1.00 0.00 C ATOM 1083 C HIS A 62 23.755 -7.595 -3.167 1.00 0.00 C ATOM 1084 O HIS A 62 23.627 -8.176 -2.083 1.00 0.00 O ATOM 1085 CB HIS A 62 23.229 -9.313 -4.903 1.00 0.00 C ATOM 1086 CG HIS A 62 22.587 -9.629 -6.217 1.00 0.00 C ATOM 1087 ND1 HIS A 62 23.209 -9.438 -7.432 1.00 0.00 N ATOM 1088 CD2 HIS A 62 21.351 -10.095 -6.500 1.00 0.00 C ATOM 1089 CE1 HIS A 62 22.362 -9.772 -8.390 1.00 0.00 C ATOM 1090 NE2 HIS A 62 21.208 -10.183 -7.885 1.00 0.00 N ATOM 0 H HIS A 62 23.985 -7.097 -5.935 1.00 0.00 H new ATOM 0 HA HIS A 62 21.827 -7.916 -4.096 1.00 0.00 H new ATOM 0 HB2 HIS A 62 24.311 -9.394 -5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 62 22.923 -10.061 -4.171 1.00 0.00 H new ATOM 0 HD2 HIS A 62 20.597 -10.357 -5.773 1.00 0.00 H new ATOM 0 HE1 HIS A 62 22.582 -9.717 -9.446 1.00 0.00 H new ATOM 0 HE2 HIS A 62 20.387 -10.498 -8.401 1.00 0.00 H new ATOM 1098 N HIS A 63 24.678 -6.683 -3.415 1.00 0.00 N ATOM 1099 CA HIS A 63 25.576 -6.149 -2.437 1.00 0.00 C ATOM 1100 C HIS A 63 24.820 -5.144 -1.589 1.00 0.00 C ATOM 1101 O HIS A 63 24.629 -3.997 -1.987 1.00 0.00 O ATOM 1102 CB HIS A 63 26.787 -5.497 -3.159 1.00 0.00 C ATOM 1103 CG HIS A 63 27.823 -4.861 -2.271 1.00 0.00 C ATOM 1104 ND1 HIS A 63 28.939 -5.507 -1.800 1.00 0.00 N ATOM 1105 CD2 HIS A 63 27.898 -3.597 -1.799 1.00 0.00 C ATOM 1106 CE1 HIS A 63 29.642 -4.638 -1.068 1.00 0.00 C ATOM 1107 NE2 HIS A 63 29.052 -3.456 -1.038 1.00 0.00 N ATOM 0 H HIS A 63 24.819 -6.286 -4.344 1.00 0.00 H new ATOM 0 HA HIS A 63 25.959 -6.934 -1.785 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.276 -6.259 -3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 63 26.410 -4.738 -3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 63 27.174 -2.818 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 63 30.570 -4.871 -0.567 1.00 0.00 H new ATOM 0 HE2 HIS A 63 29.376 -2.617 -0.557 1.00 0.00 H new ATOM 1115 N HIS A 64 24.304 -5.614 -0.496 1.00 0.00 N ATOM 1116 CA HIS A 64 23.595 -4.817 0.428 1.00 0.00 C ATOM 1117 C HIS A 64 24.351 -4.812 1.718 1.00 0.00 C ATOM 1118 O HIS A 64 24.971 -3.796 2.055 1.00 0.00 O ATOM 1119 CB HIS A 64 22.189 -5.373 0.647 1.00 0.00 C ATOM 1120 CG HIS A 64 21.266 -5.239 -0.528 1.00 0.00 C ATOM 1121 ND1 HIS A 64 20.637 -6.299 -1.135 1.00 0.00 N ATOM 1122 CD2 HIS A 64 20.840 -4.131 -1.181 1.00 0.00 C ATOM 1123 CE1 HIS A 64 19.868 -5.824 -2.115 1.00 0.00 C ATOM 1124 NE2 HIS A 64 19.953 -4.505 -2.190 1.00 0.00 N ATOM 1125 OXT HIS A 64 24.391 -5.863 2.386 1.00 0.00 O ATOM 0 H HIS A 64 24.372 -6.595 -0.223 1.00 0.00 H new ATOM 0 HA HIS A 64 23.499 -3.802 0.043 1.00 0.00 H new ATOM 0 HB2 HIS A 64 22.268 -6.428 0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 64 21.742 -4.864 1.501 1.00 0.00 H new ATOM 0 HD2 HIS A 64 21.140 -3.118 -0.956 1.00 0.00 H new ATOM 0 HE1 HIS A 64 19.256 -6.435 -2.762 1.00 0.00 H new ATOM 0 HE2 HIS A 64 19.471 -3.892 -2.847 1.00 0.00 H new TER 1133 HIS A 64