USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 846 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 Single : A 1 MET CE :methyl -164:sc= -0.0308 (180deg=-0.324) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -151:sc= -0.0239 (180deg=-0.952) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -132:sc= 0.559 (180deg=-0.0513) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.231 K(o=-0.23,f=-1.5) USER MOD Single : A 23 SER OG : rot 26:sc= 0.591 USER MOD Single : A 24 MET CE :methyl -155:sc= -0.125 (180deg=-0.562) USER MOD Single : A 29 GLN : amide:sc= -1.67! C(o=-1.7!,f=-2.7!) USER MOD Single : A 31 TYR OH : rot 170:sc= 0.0758 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.8!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -115:sc= 0.0524 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -84:sc= 0.506 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.774 F(o=-2.2!,f=-0.77) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -138:sc= -0.0262 (180deg=-1.03) USER MOD Single : A 95 LYS NZ :NH3+ 165:sc= -0.0154 (180deg=-0.244) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc=-0.000909 (180deg=-0.161) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 165:sc= -0.0262 (180deg=-0.278) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc=-0.00933 X(o=-0.0093,f=-0.0088) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.407 14.079 -5.582 1.00 0.00 N ATOM 2 CA MET A 1 7.044 14.103 -6.925 1.00 0.00 C ATOM 3 C MET A 1 8.544 14.376 -6.812 1.00 0.00 C ATOM 4 O MET A 1 8.959 15.483 -6.455 1.00 0.00 O ATOM 5 CB MET A 1 6.354 15.186 -7.766 1.00 0.00 C ATOM 6 CG MET A 1 6.810 15.226 -9.222 1.00 0.00 C ATOM 7 SD MET A 1 5.979 16.507 -10.187 1.00 0.00 S ATOM 8 CE MET A 1 4.292 15.902 -10.209 1.00 0.00 C ATOM 0 H1 MET A 1 5.389 13.892 -5.684 1.00 0.00 H new ATOM 0 H2 MET A 1 6.841 13.330 -5.005 1.00 0.00 H new ATOM 0 H3 MET A 1 6.545 14.998 -5.116 1.00 0.00 H new ATOM 0 HA MET A 1 6.929 13.132 -7.406 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.277 15.022 -7.738 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.540 16.159 -7.311 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.886 15.395 -9.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.625 14.255 -9.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.730 16.418 -10.987 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.292 14.831 -10.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.826 16.088 -9.241 1.00 0.00 H new ATOM 20 N GLY A 2 9.347 13.354 -7.117 1.00 0.00 N ATOM 21 CA GLY A 2 10.794 13.487 -7.044 1.00 0.00 C ATOM 22 C GLY A 2 11.473 12.235 -6.505 1.00 0.00 C ATOM 23 O GLY A 2 10.785 11.283 -6.127 1.00 0.00 O ATOM 0 H GLY A 2 9.018 12.435 -7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 2 11.185 13.708 -8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.045 14.335 -6.406 1.00 0.00 H new ATOM 27 N PRO A 3 12.833 12.200 -6.446 1.00 0.00 N ATOM 28 CA PRO A 3 13.567 11.048 -5.938 1.00 0.00 C ATOM 29 C PRO A 3 13.654 11.046 -4.413 1.00 0.00 C ATOM 30 O PRO A 3 14.016 12.052 -3.798 1.00 0.00 O ATOM 31 CB PRO A 3 14.959 11.191 -6.562 1.00 0.00 C ATOM 32 CG PRO A 3 15.051 12.575 -7.121 1.00 0.00 C ATOM 33 CD PRO A 3 13.749 13.276 -6.857 1.00 0.00 C ATOM 0 HA PRO A 3 13.076 10.110 -6.196 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.735 11.025 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.108 10.448 -7.346 1.00 0.00 H new ATOM 0 HG2 PRO A 3 15.875 13.118 -6.658 1.00 0.00 H new ATOM 0 HG3 PRO A 3 15.253 12.540 -8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 3 13.854 14.029 -6.076 1.00 0.00 H new ATOM 0 HD3 PRO A 3 13.386 13.789 -7.748 1.00 0.00 H new ATOM 41 N MET A 4 13.306 9.906 -3.813 1.00 0.00 N ATOM 42 CA MET A 4 13.326 9.755 -2.358 1.00 0.00 C ATOM 43 C MET A 4 13.734 8.321 -1.963 1.00 0.00 C ATOM 44 O MET A 4 13.597 7.405 -2.779 1.00 0.00 O ATOM 45 CB MET A 4 11.946 10.123 -1.784 1.00 0.00 C ATOM 46 CG MET A 4 10.790 9.304 -2.349 1.00 0.00 C ATOM 47 SD MET A 4 9.172 9.946 -1.867 1.00 0.00 S ATOM 48 CE MET A 4 9.229 9.779 -0.083 1.00 0.00 C ATOM 0 H MET A 4 13.006 9.071 -4.316 1.00 0.00 H new ATOM 0 HA MET A 4 14.070 10.432 -1.937 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.971 9.996 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.756 11.179 -1.977 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.860 9.289 -3.437 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.882 8.272 -2.009 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.220 9.631 0.301 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.848 8.922 0.183 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.654 10.683 0.354 1.00 0.00 H new ATOM 58 N PRO A 5 14.258 8.096 -0.713 1.00 0.00 N ATOM 59 CA PRO A 5 14.688 6.758 -0.254 1.00 0.00 C ATOM 60 C PRO A 5 13.571 5.710 -0.283 1.00 0.00 C ATOM 61 O PRO A 5 12.396 6.036 -0.472 1.00 0.00 O ATOM 62 CB PRO A 5 15.157 6.995 1.189 1.00 0.00 C ATOM 63 CG PRO A 5 14.554 8.292 1.591 1.00 0.00 C ATOM 64 CD PRO A 5 14.494 9.111 0.341 1.00 0.00 C ATOM 0 HA PRO A 5 15.458 6.354 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.830 6.189 1.846 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.245 7.032 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.560 8.148 2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.156 8.785 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.691 9.847 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.421 9.659 0.173 1.00 0.00 H new ATOM 72 N LYS A 6 13.965 4.447 -0.100 1.00 0.00 N ATOM 73 CA LYS A 6 13.033 3.322 -0.113 1.00 0.00 C ATOM 74 C LYS A 6 12.165 3.290 1.141 1.00 0.00 C ATOM 75 O LYS A 6 12.553 3.792 2.199 1.00 0.00 O ATOM 76 CB LYS A 6 13.787 1.988 -0.239 1.00 0.00 C ATOM 77 CG LYS A 6 14.451 1.754 -1.598 1.00 0.00 C ATOM 78 CD LYS A 6 15.819 2.421 -1.721 1.00 0.00 C ATOM 79 CE LYS A 6 16.871 1.746 -0.849 1.00 0.00 C ATOM 80 NZ LYS A 6 18.200 2.406 -0.969 1.00 0.00 N ATOM 0 H LYS A 6 14.936 4.179 0.061 1.00 0.00 H new ATOM 0 HA LYS A 6 12.386 3.459 -0.979 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.552 1.944 0.536 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.090 1.173 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 14.560 0.682 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.798 2.132 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.141 2.395 -2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 6 15.736 3.471 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.548 1.768 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.960 0.698 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.887 1.917 -0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.521 2.363 -1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.122 3.400 -0.673 1.00 0.00 H new ATOM 94 N LEU A 7 10.996 2.668 1.001 1.00 0.00 N ATOM 95 CA LEU A 7 10.045 2.518 2.096 1.00 0.00 C ATOM 96 C LEU A 7 10.011 1.054 2.534 1.00 0.00 C ATOM 97 O LEU A 7 9.600 0.734 3.651 1.00 0.00 O ATOM 98 CB LEU A 7 8.648 2.984 1.643 1.00 0.00 C ATOM 99 CG LEU A 7 7.556 3.011 2.728 1.00 0.00 C ATOM 100 CD1 LEU A 7 7.808 4.128 3.735 1.00 0.00 C ATOM 101 CD2 LEU A 7 6.183 3.169 2.092 1.00 0.00 C ATOM 0 H LEU A 7 10.683 2.254 0.123 1.00 0.00 H new ATOM 0 HA LEU A 7 10.353 3.134 2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.740 3.986 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.314 2.331 0.837 1.00 0.00 H new ATOM 0 HG LEU A 7 7.588 2.062 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.021 4.122 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.773 3.973 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.810 5.089 3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.421 3.186 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.148 4.102 1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.995 2.332 1.419 1.00 0.00 H new ATOM 113 N ALA A 8 10.462 0.174 1.632 1.00 0.00 N ATOM 114 CA ALA A 8 10.505 -1.265 1.891 1.00 0.00 C ATOM 115 C ALA A 8 11.588 -1.929 1.045 1.00 0.00 C ATOM 116 O ALA A 8 12.162 -1.298 0.155 1.00 0.00 O ATOM 117 CB ALA A 8 9.148 -1.898 1.607 1.00 0.00 C ATOM 0 H ALA A 8 10.805 0.440 0.709 1.00 0.00 H new ATOM 0 HA ALA A 8 10.746 -1.418 2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 8 9.197 -2.969 1.805 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.393 -1.445 2.250 1.00 0.00 H new ATOM 0 HB3 ALA A 8 8.881 -1.734 0.563 1.00 0.00 H new ATOM 123 N ASP A 9 11.862 -3.205 1.329 1.00 0.00 N ATOM 124 CA ASP A 9 12.876 -3.956 0.595 1.00 0.00 C ATOM 125 C ASP A 9 12.220 -4.834 -0.473 1.00 0.00 C ATOM 126 O ASP A 9 12.482 -4.670 -1.669 1.00 0.00 O ATOM 127 CB ASP A 9 13.707 -4.809 1.563 1.00 0.00 C ATOM 128 CG ASP A 9 14.990 -5.337 0.943 1.00 0.00 C ATOM 129 OD1 ASP A 9 14.911 -6.130 -0.019 1.00 0.00 O ATOM 130 OD2 ASP A 9 16.078 -4.955 1.423 1.00 0.00 O ATOM 0 H ASP A 9 11.394 -3.737 2.063 1.00 0.00 H new ATOM 0 HA ASP A 9 13.542 -3.252 0.096 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.954 -4.214 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.104 -5.650 1.906 1.00 0.00 H new ATOM 135 N ARG A 10 11.367 -5.765 -0.029 1.00 0.00 N ATOM 136 CA ARG A 10 10.667 -6.672 -0.939 1.00 0.00 C ATOM 137 C ARG A 10 9.156 -6.612 -0.726 1.00 0.00 C ATOM 138 O ARG A 10 8.679 -6.084 0.285 1.00 0.00 O ATOM 139 CB ARG A 10 11.163 -8.108 -0.758 1.00 0.00 C ATOM 140 CG ARG A 10 12.619 -8.308 -1.142 1.00 0.00 C ATOM 141 CD ARG A 10 13.034 -9.761 -1.002 1.00 0.00 C ATOM 142 NE ARG A 10 14.449 -9.962 -1.318 1.00 0.00 N ATOM 143 CZ ARG A 10 15.072 -11.144 -1.271 1.00 0.00 C ATOM 144 NH1 ARG A 10 14.418 -12.249 -0.921 1.00 0.00 N ATOM 145 NH2 ARG A 10 16.360 -11.220 -1.576 1.00 0.00 N ATOM 0 H ARG A 10 11.146 -5.908 0.957 1.00 0.00 H new ATOM 0 HA ARG A 10 10.883 -6.349 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.028 -8.400 0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.544 -8.774 -1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.774 -7.981 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.252 -7.685 -0.511 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.839 -10.097 0.017 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.424 -10.377 -1.663 1.00 0.00 H new ATOM 0 HE ARG A 10 14.996 -9.146 -1.592 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.427 -12.202 -0.684 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.908 -13.143 -0.890 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.871 -10.379 -1.845 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.840 -12.119 -1.542 1.00 0.00 H new ATOM 159 N LYS A 11 8.414 -7.138 -1.702 1.00 0.00 N ATOM 160 CA LYS A 11 6.954 -7.139 -1.665 1.00 0.00 C ATOM 161 C LYS A 11 6.373 -8.420 -2.275 1.00 0.00 C ATOM 162 O LYS A 11 7.078 -9.166 -2.960 1.00 0.00 O ATOM 163 CB LYS A 11 6.443 -5.920 -2.439 1.00 0.00 C ATOM 164 CG LYS A 11 6.937 -5.886 -3.878 1.00 0.00 C ATOM 165 CD LYS A 11 6.896 -4.493 -4.461 1.00 0.00 C ATOM 166 CE LYS A 11 7.494 -4.468 -5.856 1.00 0.00 C ATOM 167 NZ LYS A 11 7.393 -3.122 -6.480 1.00 0.00 N ATOM 0 H LYS A 11 8.808 -7.573 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 11 6.632 -7.095 -0.624 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.353 -5.923 -2.434 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.762 -5.011 -1.929 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.958 -6.266 -3.919 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.325 -6.551 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.865 -4.141 -4.497 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.444 -3.808 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.541 -4.768 -5.807 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.982 -5.198 -6.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.018 -3.214 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.755 -2.525 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.336 -2.684 -6.515 1.00 0.00 H new ATOM 181 N LEU A 12 5.076 -8.650 -2.039 1.00 0.00 N ATOM 182 CA LEU A 12 4.380 -9.815 -2.583 1.00 0.00 C ATOM 183 C LEU A 12 3.622 -9.420 -3.843 1.00 0.00 C ATOM 184 O LEU A 12 2.869 -8.446 -3.831 1.00 0.00 O ATOM 185 CB LEU A 12 3.384 -10.421 -1.569 1.00 0.00 C ATOM 186 CG LEU A 12 3.962 -11.229 -0.384 1.00 0.00 C ATOM 187 CD1 LEU A 12 4.911 -12.325 -0.864 1.00 0.00 C ATOM 188 CD2 LEU A 12 4.654 -10.321 0.618 1.00 0.00 C ATOM 0 H LEU A 12 4.488 -8.040 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 12 5.135 -10.567 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.787 -9.607 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.703 -11.072 -2.117 1.00 0.00 H new ATOM 0 HG LEU A 12 3.123 -11.710 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.298 -12.873 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.373 -13.011 -1.519 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.739 -11.875 -1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.049 -10.919 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 12 5.472 -9.793 0.127 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.938 -9.598 1.008 1.00 0.00 H new ATOM 200 N CYS A 13 3.831 -10.185 -4.917 1.00 0.00 N ATOM 201 CA CYS A 13 3.173 -9.936 -6.201 1.00 0.00 C ATOM 202 C CYS A 13 2.600 -11.229 -6.771 1.00 0.00 C ATOM 203 O CYS A 13 2.866 -12.314 -6.251 1.00 0.00 O ATOM 204 CB CYS A 13 4.163 -9.349 -7.211 1.00 0.00 C ATOM 205 SG CYS A 13 4.835 -7.715 -6.774 1.00 0.00 S ATOM 0 H CYS A 13 4.457 -10.990 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 13 2.366 -9.225 -6.026 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.993 -10.046 -7.330 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.668 -9.274 -8.179 1.00 0.00 H new ATOM 210 N ALA A 14 1.831 -11.105 -7.856 1.00 0.00 N ATOM 211 CA ALA A 14 1.235 -12.262 -8.517 1.00 0.00 C ATOM 212 C ALA A 14 2.252 -12.934 -9.434 1.00 0.00 C ATOM 213 O ALA A 14 2.249 -14.157 -9.592 1.00 0.00 O ATOM 214 CB ALA A 14 -0.001 -11.848 -9.299 1.00 0.00 C ATOM 0 H ALA A 14 1.608 -10.211 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 14 0.934 -12.980 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.433 -12.722 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.733 -11.412 -8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.276 -11.112 -10.054 1.00 0.00 H new ATOM 220 N ASP A 15 3.129 -12.117 -10.027 1.00 0.00 N ATOM 221 CA ASP A 15 4.176 -12.605 -10.924 1.00 0.00 C ATOM 222 C ASP A 15 5.486 -11.857 -10.687 1.00 0.00 C ATOM 223 O ASP A 15 5.533 -10.903 -9.908 1.00 0.00 O ATOM 224 CB ASP A 15 3.747 -12.465 -12.389 1.00 0.00 C ATOM 225 CG ASP A 15 2.657 -13.445 -12.775 1.00 0.00 C ATOM 226 OD1 ASP A 15 2.898 -14.668 -12.686 1.00 0.00 O ATOM 227 OD2 ASP A 15 1.565 -12.991 -13.165 1.00 0.00 O ATOM 0 H ASP A 15 3.132 -11.105 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 15 4.335 -13.661 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.395 -11.448 -12.565 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.613 -12.618 -13.033 1.00 0.00 H new ATOM 232 N GLN A 16 6.547 -12.307 -11.366 1.00 0.00 N ATOM 233 CA GLN A 16 7.879 -11.707 -11.244 1.00 0.00 C ATOM 234 C GLN A 16 7.908 -10.272 -11.796 1.00 0.00 C ATOM 235 O GLN A 16 8.830 -9.505 -11.501 1.00 0.00 O ATOM 236 CB GLN A 16 8.903 -12.585 -11.980 1.00 0.00 C ATOM 237 CG GLN A 16 10.355 -12.246 -11.672 1.00 0.00 C ATOM 238 CD GLN A 16 11.335 -13.139 -12.411 1.00 0.00 C ATOM 239 OE1 GLN A 16 11.340 -14.357 -12.232 1.00 0.00 O ATOM 240 NE2 GLN A 16 12.172 -12.535 -13.245 1.00 0.00 N ATOM 0 H GLN A 16 6.506 -13.094 -12.013 1.00 0.00 H new ATOM 0 HA GLN A 16 8.136 -11.652 -10.186 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.723 -13.628 -11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 16 8.740 -12.491 -13.054 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.545 -11.206 -11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 16 10.525 -12.337 -10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.133 -11.523 -13.363 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.855 -13.083 -13.768 1.00 0.00 H new ATOM 249 N GLU A 17 6.898 -9.918 -12.593 1.00 0.00 N ATOM 250 CA GLU A 17 6.814 -8.584 -13.187 1.00 0.00 C ATOM 251 C GLU A 17 6.063 -7.605 -12.288 1.00 0.00 C ATOM 252 O GLU A 17 6.176 -6.390 -12.479 1.00 0.00 O ATOM 253 CB GLU A 17 6.098 -8.642 -14.541 1.00 0.00 C ATOM 254 CG GLU A 17 6.732 -9.592 -15.541 1.00 0.00 C ATOM 255 CD GLU A 17 6.043 -9.568 -16.892 1.00 0.00 C ATOM 256 OE1 GLU A 17 4.838 -9.898 -16.952 1.00 0.00 O ATOM 257 OE2 GLU A 17 6.707 -9.220 -17.890 1.00 0.00 O ATOM 0 H GLU A 17 6.127 -10.538 -12.842 1.00 0.00 H new ATOM 0 HA GLU A 17 7.838 -8.233 -13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.062 -8.941 -14.379 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.077 -7.641 -14.971 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.782 -9.330 -15.669 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.703 -10.606 -15.141 1.00 0.00 H new ATOM 264 N CYS A 18 5.267 -8.142 -11.339 1.00 0.00 N ATOM 265 CA CYS A 18 4.445 -7.318 -10.430 1.00 0.00 C ATOM 266 C CYS A 18 3.487 -6.441 -11.247 1.00 0.00 C ATOM 267 O CYS A 18 3.076 -5.360 -10.814 1.00 0.00 O ATOM 268 CB CYS A 18 5.316 -6.453 -9.498 1.00 0.00 C ATOM 269 SG CYS A 18 6.221 -7.388 -8.223 1.00 0.00 S ATOM 0 H CYS A 18 5.177 -9.146 -11.183 1.00 0.00 H new ATOM 0 HA CYS A 18 3.865 -7.989 -9.796 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.034 -5.900 -10.103 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.680 -5.717 -9.007 1.00 0.00 H new ATOM 274 N SER A 19 3.156 -6.932 -12.446 1.00 0.00 N ATOM 275 CA SER A 19 2.272 -6.237 -13.375 1.00 0.00 C ATOM 276 C SER A 19 0.827 -6.730 -13.255 1.00 0.00 C ATOM 277 O SER A 19 -0.097 -6.099 -13.776 1.00 0.00 O ATOM 278 CB SER A 19 2.797 -6.425 -14.799 1.00 0.00 C ATOM 279 OG SER A 19 1.872 -5.955 -15.766 1.00 0.00 O ATOM 0 H SER A 19 3.498 -7.827 -12.797 1.00 0.00 H new ATOM 0 HA SER A 19 2.265 -5.176 -13.126 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.742 -5.894 -14.911 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.002 -7.481 -14.975 1.00 0.00 H new ATOM 0 HG SER A 19 2.241 -6.089 -16.664 1.00 0.00 H new ATOM 285 N HIS A 20 0.643 -7.853 -12.559 1.00 0.00 N ATOM 286 CA HIS A 20 -0.683 -8.434 -12.358 1.00 0.00 C ATOM 287 C HIS A 20 -1.300 -7.997 -11.020 1.00 0.00 C ATOM 288 O HIS A 20 -0.569 -7.749 -10.058 1.00 0.00 O ATOM 289 CB HIS A 20 -0.609 -9.965 -12.402 1.00 0.00 C ATOM 290 CG HIS A 20 -0.817 -10.583 -13.758 1.00 0.00 C ATOM 291 ND1 HIS A 20 -0.979 -11.938 -13.920 1.00 0.00 N ATOM 292 CD2 HIS A 20 -0.920 -10.045 -15.003 1.00 0.00 C ATOM 293 CE1 HIS A 20 -1.177 -12.214 -15.191 1.00 0.00 C ATOM 294 NE2 HIS A 20 -1.145 -11.084 -15.875 1.00 0.00 N ATOM 0 H HIS A 20 1.400 -8.380 -12.124 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.318 -8.071 -13.166 1.00 0.00 H new ATOM 0 HB2 HIS A 20 0.366 -10.276 -12.026 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.357 -10.368 -11.719 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.840 -8.999 -15.259 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.338 -13.198 -15.605 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.267 -10.997 -16.884 1.00 0.00 H new ATOM 303 N PRO A 21 -2.661 -7.911 -10.927 1.00 0.00 N ATOM 304 CA PRO A 21 -3.347 -7.527 -9.702 1.00 0.00 C ATOM 305 C PRO A 21 -3.695 -8.740 -8.837 1.00 0.00 C ATOM 306 O PRO A 21 -4.353 -9.677 -9.303 1.00 0.00 O ATOM 307 CB PRO A 21 -4.619 -6.844 -10.222 1.00 0.00 C ATOM 308 CG PRO A 21 -4.840 -7.362 -11.613 1.00 0.00 C ATOM 309 CD PRO A 21 -3.644 -8.198 -11.989 1.00 0.00 C ATOM 0 HA PRO A 21 -2.737 -6.890 -9.061 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.472 -7.073 -9.583 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -4.504 -5.760 -10.225 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.752 -7.958 -11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -4.964 -6.536 -12.313 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.894 -9.258 -12.026 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.260 -7.926 -12.972 1.00 0.00 H new ATOM 317 N ILE A 22 -3.243 -8.724 -7.583 1.00 0.00 N ATOM 318 CA ILE A 22 -3.505 -9.830 -6.665 1.00 0.00 C ATOM 319 C ILE A 22 -4.990 -9.923 -6.331 1.00 0.00 C ATOM 320 O ILE A 22 -5.627 -10.925 -6.636 1.00 0.00 O ATOM 321 CB ILE A 22 -2.690 -9.710 -5.350 1.00 0.00 C ATOM 322 CG1 ILE A 22 -1.192 -9.557 -5.662 1.00 0.00 C ATOM 323 CG2 ILE A 22 -2.934 -10.936 -4.461 1.00 0.00 C ATOM 324 CD1 ILE A 22 -0.352 -9.146 -4.468 1.00 0.00 C ATOM 0 H ILE A 22 -2.697 -7.962 -7.182 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.189 -10.738 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.021 -8.822 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.814 -10.502 -6.051 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.070 -8.816 -6.452 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.356 -10.839 -3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.994 -11.004 -4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.625 -11.837 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.692 -9.060 -4.770 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.701 -8.185 -4.091 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.442 -9.898 -3.684 1.00 0.00 H new ATOM 336 N SER A 23 -5.533 -8.882 -5.701 1.00 0.00 N ATOM 337 CA SER A 23 -6.943 -8.875 -5.327 1.00 0.00 C ATOM 338 C SER A 23 -7.570 -7.498 -5.508 1.00 0.00 C ATOM 339 O SER A 23 -6.932 -6.472 -5.260 1.00 0.00 O ATOM 340 CB SER A 23 -7.105 -9.327 -3.875 1.00 0.00 C ATOM 341 OG SER A 23 -8.470 -9.361 -3.496 1.00 0.00 O ATOM 0 H SER A 23 -5.021 -8.039 -5.441 1.00 0.00 H new ATOM 0 HA SER A 23 -7.460 -9.570 -5.988 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.665 -10.316 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.560 -8.650 -3.218 1.00 0.00 H new ATOM 0 HG SER A 23 -9.027 -9.497 -4.291 1.00 0.00 H new ATOM 347 N MET A 24 -8.836 -7.501 -5.916 1.00 0.00 N ATOM 348 CA MET A 24 -9.600 -6.279 -6.114 1.00 0.00 C ATOM 349 C MET A 24 -10.282 -5.914 -4.798 1.00 0.00 C ATOM 350 O MET A 24 -11.126 -6.664 -4.300 1.00 0.00 O ATOM 351 CB MET A 24 -10.622 -6.486 -7.234 1.00 0.00 C ATOM 352 CG MET A 24 -11.369 -5.225 -7.635 1.00 0.00 C ATOM 353 SD MET A 24 -12.923 -5.002 -6.738 1.00 0.00 S ATOM 354 CE MET A 24 -13.902 -6.353 -7.390 1.00 0.00 C ATOM 0 H MET A 24 -9.359 -8.353 -6.118 1.00 0.00 H new ATOM 0 HA MET A 24 -8.944 -5.460 -6.410 1.00 0.00 H new ATOM 0 HB2 MET A 24 -10.110 -6.885 -8.109 1.00 0.00 H new ATOM 0 HB3 MET A 24 -11.345 -7.238 -6.917 1.00 0.00 H new ATOM 0 HG2 MET A 24 -10.729 -4.360 -7.460 1.00 0.00 H new ATOM 0 HG3 MET A 24 -11.576 -5.258 -8.705 1.00 0.00 H new ATOM 0 HE1 MET A 24 -14.961 -6.111 -7.301 1.00 0.00 H new ATOM 0 HE2 MET A 24 -13.653 -6.509 -8.440 1.00 0.00 H new ATOM 0 HE3 MET A 24 -13.689 -7.262 -6.827 1.00 0.00 H new ATOM 364 N ALA A 25 -9.884 -4.780 -4.222 1.00 0.00 N ATOM 365 CA ALA A 25 -10.431 -4.342 -2.941 1.00 0.00 C ATOM 366 C ALA A 25 -11.243 -3.059 -3.064 1.00 0.00 C ATOM 367 O ALA A 25 -10.941 -2.193 -3.885 1.00 0.00 O ATOM 368 CB ALA A 25 -9.303 -4.149 -1.940 1.00 0.00 C ATOM 0 H ALA A 25 -9.187 -4.151 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.110 -5.120 -2.592 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.716 -3.822 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.773 -5.092 -1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.610 -3.395 -2.313 1.00 0.00 H new ATOM 374 N VAL A 26 -12.271 -2.951 -2.224 1.00 0.00 N ATOM 375 CA VAL A 26 -13.142 -1.771 -2.206 1.00 0.00 C ATOM 376 C VAL A 26 -12.697 -0.802 -1.100 1.00 0.00 C ATOM 377 O VAL A 26 -12.340 -1.232 0.001 1.00 0.00 O ATOM 378 CB VAL A 26 -14.626 -2.173 -1.988 1.00 0.00 C ATOM 379 CG1 VAL A 26 -15.548 -0.964 -2.098 1.00 0.00 C ATOM 380 CG2 VAL A 26 -15.044 -3.243 -2.988 1.00 0.00 C ATOM 0 H VAL A 26 -12.524 -3.668 -1.544 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.060 -1.277 -3.174 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.715 -2.578 -0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -16.580 -1.278 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.274 -0.227 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.451 -0.521 -3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -16.087 -3.511 -2.819 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.928 -2.859 -4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.417 -4.125 -2.860 1.00 0.00 H new ATOM 390 N ALA A 27 -12.721 0.504 -1.405 1.00 0.00 N ATOM 391 CA ALA A 27 -12.321 1.539 -0.445 1.00 0.00 C ATOM 392 C ALA A 27 -13.465 1.881 0.509 1.00 0.00 C ATOM 393 O ALA A 27 -14.621 1.980 0.090 1.00 0.00 O ATOM 394 CB ALA A 27 -11.853 2.786 -1.178 1.00 0.00 C ATOM 0 H ALA A 27 -13.014 0.867 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.495 1.147 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -11.559 3.545 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -11.000 2.538 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -12.664 3.170 -1.797 1.00 0.00 H new ATOM 400 N LEU A 28 -13.132 2.047 1.795 1.00 0.00 N ATOM 401 CA LEU A 28 -14.132 2.360 2.821 1.00 0.00 C ATOM 402 C LEU A 28 -14.166 3.847 3.170 1.00 0.00 C ATOM 403 O LEU A 28 -15.245 4.400 3.394 1.00 0.00 O ATOM 404 CB LEU A 28 -13.882 1.549 4.104 1.00 0.00 C ATOM 405 CG LEU A 28 -14.083 0.030 3.996 1.00 0.00 C ATOM 406 CD1 LEU A 28 -12.858 -0.643 3.392 1.00 0.00 C ATOM 407 CD2 LEU A 28 -14.397 -0.561 5.361 1.00 0.00 C ATOM 0 H LEU A 28 -12.178 1.970 2.149 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.097 2.087 2.395 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.860 1.737 4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -14.544 1.928 4.883 1.00 0.00 H new ATOM 0 HG LEU A 28 -14.929 -0.153 3.333 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.028 -1.718 3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.678 -0.243 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.989 -0.450 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.537 -1.638 5.268 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.571 -0.360 6.043 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -15.309 -0.109 5.752 1.00 0.00 H new ATOM 419 N GLN A 29 -12.994 4.489 3.233 1.00 0.00 N ATOM 420 CA GLN A 29 -12.930 5.914 3.577 1.00 0.00 C ATOM 421 C GLN A 29 -11.924 6.682 2.720 1.00 0.00 C ATOM 422 O GLN A 29 -11.124 6.093 1.989 1.00 0.00 O ATOM 423 CB GLN A 29 -12.613 6.105 5.065 1.00 0.00 C ATOM 424 CG GLN A 29 -11.297 5.475 5.513 1.00 0.00 C ATOM 425 CD GLN A 29 -10.838 5.926 6.897 1.00 0.00 C ATOM 426 OE1 GLN A 29 -9.889 5.369 7.450 1.00 0.00 O ATOM 427 NE2 GLN A 29 -11.484 6.950 7.463 1.00 0.00 N ATOM 0 H GLN A 29 -12.090 4.053 3.053 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.916 6.327 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.584 7.172 5.284 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.425 5.680 5.655 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.405 4.390 5.512 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.522 5.719 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.266 7.390 6.979 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.195 7.292 8.379 1.00 0.00 H new ATOM 436 N ASP A 30 -12.007 8.012 2.821 1.00 0.00 N ATOM 437 CA ASP A 30 -11.146 8.929 2.067 1.00 0.00 C ATOM 438 C ASP A 30 -9.705 8.928 2.580 1.00 0.00 C ATOM 439 O ASP A 30 -9.448 8.646 3.753 1.00 0.00 O ATOM 440 CB ASP A 30 -11.708 10.352 2.139 1.00 0.00 C ATOM 441 CG ASP A 30 -13.093 10.469 1.530 1.00 0.00 C ATOM 442 OD1 ASP A 30 -13.228 10.238 0.310 1.00 0.00 O ATOM 443 OD2 ASP A 30 -14.043 10.791 2.274 1.00 0.00 O ATOM 0 H ASP A 30 -12.675 8.485 3.430 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.132 8.580 1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.746 10.670 3.181 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.030 11.032 1.623 1.00 0.00 H new ATOM 448 N TYR A 31 -8.779 9.263 1.678 1.00 0.00 N ATOM 449 CA TYR A 31 -7.354 9.332 1.990 1.00 0.00 C ATOM 450 C TYR A 31 -6.664 10.354 1.083 1.00 0.00 C ATOM 451 O TYR A 31 -6.762 10.260 -0.142 1.00 0.00 O ATOM 452 CB TYR A 31 -6.683 7.959 1.807 1.00 0.00 C ATOM 453 CG TYR A 31 -5.265 7.894 2.353 1.00 0.00 C ATOM 454 CD1 TYR A 31 -5.017 7.881 3.722 1.00 0.00 C ATOM 455 CD2 TYR A 31 -4.174 7.855 1.490 1.00 0.00 C ATOM 456 CE1 TYR A 31 -3.725 7.831 4.213 1.00 0.00 C ATOM 457 CE2 TYR A 31 -2.881 7.807 1.976 1.00 0.00 C ATOM 458 CZ TYR A 31 -2.662 7.796 3.336 1.00 0.00 C ATOM 459 OH TYR A 31 -1.375 7.749 3.823 1.00 0.00 O ATOM 0 H TYR A 31 -8.999 9.494 0.709 1.00 0.00 H new ATOM 0 HA TYR A 31 -7.254 9.638 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -7.289 7.200 2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -6.666 7.711 0.746 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.847 7.910 4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.340 7.862 0.423 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.550 7.819 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.046 7.778 1.292 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.753 7.574 3.086 1.00 0.00 H new ATOM 469 N MET A 32 -5.962 11.313 1.687 1.00 0.00 N ATOM 470 CA MET A 32 -5.247 12.338 0.927 1.00 0.00 C ATOM 471 C MET A 32 -3.757 12.010 0.870 1.00 0.00 C ATOM 472 O MET A 32 -3.146 11.694 1.895 1.00 0.00 O ATOM 473 CB MET A 32 -5.460 13.722 1.544 1.00 0.00 C ATOM 474 CG MET A 32 -6.894 14.226 1.458 1.00 0.00 C ATOM 475 SD MET A 32 -8.009 13.435 2.638 1.00 0.00 S ATOM 476 CE MET A 32 -9.554 14.247 2.240 1.00 0.00 C ATOM 0 H MET A 32 -5.873 11.401 2.699 1.00 0.00 H new ATOM 0 HA MET A 32 -5.646 12.351 -0.087 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.159 13.692 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 32 -4.805 14.436 1.045 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.903 15.303 1.628 1.00 0.00 H new ATOM 0 HG3 MET A 32 -7.269 14.059 0.448 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.343 13.864 2.887 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.450 15.321 2.392 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.811 14.051 1.199 1.00 0.00 H new ATOM 486 N ALA A 33 -3.183 12.067 -0.335 1.00 0.00 N ATOM 487 CA ALA A 33 -1.767 11.756 -0.528 1.00 0.00 C ATOM 488 C ALA A 33 -0.920 13.012 -0.766 1.00 0.00 C ATOM 489 O ALA A 33 -1.203 13.781 -1.688 1.00 0.00 O ATOM 490 CB ALA A 33 -1.603 10.807 -1.698 1.00 0.00 C ATOM 0 H ALA A 33 -3.677 12.325 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.412 11.288 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.546 10.579 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.150 9.885 -1.498 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.995 11.273 -2.602 1.00 0.00 H new ATOM 496 N PRO A 34 0.146 13.246 0.055 1.00 0.00 N ATOM 497 CA PRO A 34 1.022 14.410 -0.098 1.00 0.00 C ATOM 498 C PRO A 34 2.027 14.229 -1.242 1.00 0.00 C ATOM 499 O PRO A 34 2.022 14.993 -2.210 1.00 0.00 O ATOM 500 CB PRO A 34 1.756 14.503 1.250 1.00 0.00 C ATOM 501 CG PRO A 34 1.155 13.447 2.115 1.00 0.00 C ATOM 502 CD PRO A 34 0.593 12.416 1.184 1.00 0.00 C ATOM 0 HA PRO A 34 0.458 15.309 -0.346 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.827 14.342 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 34 1.632 15.490 1.695 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.905 13.009 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.375 13.863 2.752 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.343 11.684 0.883 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.230 11.862 1.636 1.00 0.00 H new ATOM 510 N ASP A 35 2.885 13.211 -1.112 1.00 0.00 N ATOM 511 CA ASP A 35 3.907 12.906 -2.115 1.00 0.00 C ATOM 512 C ASP A 35 3.368 11.904 -3.142 1.00 0.00 C ATOM 513 O ASP A 35 2.338 11.264 -2.914 1.00 0.00 O ATOM 514 CB ASP A 35 5.156 12.348 -1.414 1.00 0.00 C ATOM 515 CG ASP A 35 6.412 12.383 -2.272 1.00 0.00 C ATOM 516 OD1 ASP A 35 6.542 11.537 -3.181 1.00 0.00 O ATOM 517 OD2 ASP A 35 7.266 13.262 -2.032 1.00 0.00 O ATOM 0 H ASP A 35 2.889 12.579 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 35 4.175 13.819 -2.647 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.334 12.919 -0.503 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.962 11.319 -1.113 1.00 0.00 H new ATOM 522 N CYS A 36 4.084 11.771 -4.265 1.00 0.00 N ATOM 523 CA CYS A 36 3.711 10.847 -5.342 1.00 0.00 C ATOM 524 C CYS A 36 3.769 9.390 -4.871 1.00 0.00 C ATOM 525 O CYS A 36 3.120 8.517 -5.453 1.00 0.00 O ATOM 526 CB CYS A 36 4.645 11.047 -6.543 1.00 0.00 C ATOM 527 SG CYS A 36 4.306 9.954 -7.965 1.00 0.00 S ATOM 0 H CYS A 36 4.936 12.300 -4.452 1.00 0.00 H new ATOM 0 HA CYS A 36 2.684 11.064 -5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.572 12.083 -6.873 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.673 10.888 -6.217 1.00 0.00 H new ATOM 532 N ARG A 37 4.557 9.143 -3.816 1.00 0.00 N ATOM 533 CA ARG A 37 4.723 7.805 -3.255 1.00 0.00 C ATOM 534 C ARG A 37 3.397 7.231 -2.735 1.00 0.00 C ATOM 535 O ARG A 37 3.239 6.012 -2.657 1.00 0.00 O ATOM 536 CB ARG A 37 5.761 7.842 -2.129 1.00 0.00 C ATOM 537 CG ARG A 37 6.387 6.487 -1.849 1.00 0.00 C ATOM 538 CD ARG A 37 7.470 6.560 -0.790 1.00 0.00 C ATOM 539 NE ARG A 37 6.933 6.949 0.507 1.00 0.00 N ATOM 540 CZ ARG A 37 7.658 7.052 1.626 1.00 0.00 C ATOM 541 NH1 ARG A 37 8.960 6.783 1.622 1.00 0.00 N ATOM 542 NH2 ARG A 37 7.075 7.422 2.758 1.00 0.00 N ATOM 0 H ARG A 37 5.093 9.864 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 37 5.070 7.149 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.546 8.551 -2.391 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.288 8.212 -1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.612 5.791 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.810 6.087 -2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.961 5.590 -0.704 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.232 7.276 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 37 5.936 7.157 0.566 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.418 6.494 0.758 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.501 6.866 2.483 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.076 7.627 2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.626 7.501 3.613 1.00 0.00 H new ATOM 556 N PHE A 38 2.449 8.109 -2.388 1.00 0.00 N ATOM 557 CA PHE A 38 1.143 7.672 -1.884 1.00 0.00 C ATOM 558 C PHE A 38 0.035 7.944 -2.906 1.00 0.00 C ATOM 559 O PHE A 38 0.244 8.672 -3.881 1.00 0.00 O ATOM 560 CB PHE A 38 0.809 8.363 -0.552 1.00 0.00 C ATOM 561 CG PHE A 38 1.695 7.966 0.603 1.00 0.00 C ATOM 562 CD1 PHE A 38 2.947 8.541 0.777 1.00 0.00 C ATOM 563 CD2 PHE A 38 1.262 7.028 1.528 1.00 0.00 C ATOM 564 CE1 PHE A 38 3.747 8.183 1.843 1.00 0.00 C ATOM 565 CE2 PHE A 38 2.060 6.669 2.598 1.00 0.00 C ATOM 566 CZ PHE A 38 3.304 7.247 2.756 1.00 0.00 C ATOM 0 H PHE A 38 2.561 9.121 -2.447 1.00 0.00 H new ATOM 0 HA PHE A 38 1.201 6.597 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.877 9.442 -0.691 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.226 8.140 -0.292 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.299 9.277 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.290 6.573 1.411 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.720 8.635 1.963 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.711 5.936 3.310 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.929 6.968 3.592 1.00 0.00 H new ATOM 576 N LEU A 39 -1.141 7.347 -2.674 1.00 0.00 N ATOM 577 CA LEU A 39 -2.297 7.510 -3.567 1.00 0.00 C ATOM 578 C LEU A 39 -3.470 8.198 -2.871 1.00 0.00 C ATOM 579 O LEU A 39 -3.815 7.852 -1.742 1.00 0.00 O ATOM 580 CB LEU A 39 -2.768 6.141 -4.076 1.00 0.00 C ATOM 581 CG LEU A 39 -1.933 5.518 -5.196 1.00 0.00 C ATOM 582 CD1 LEU A 39 -2.212 4.027 -5.289 1.00 0.00 C ATOM 583 CD2 LEU A 39 -2.245 6.187 -6.527 1.00 0.00 C ATOM 0 H LEU A 39 -1.318 6.743 -1.871 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.970 8.137 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.785 5.449 -3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.795 6.240 -4.428 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.878 5.670 -4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.612 3.594 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.955 3.549 -4.344 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.269 3.867 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.642 5.732 -7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.302 6.059 -6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.014 7.250 -6.463 1.00 0.00 H new ATOM 595 N THR A 40 -4.104 9.148 -3.573 1.00 0.00 N ATOM 596 CA THR A 40 -5.271 9.853 -3.041 1.00 0.00 C ATOM 597 C THR A 40 -6.514 9.055 -3.421 1.00 0.00 C ATOM 598 O THR A 40 -6.878 8.977 -4.598 1.00 0.00 O ATOM 599 CB THR A 40 -5.351 11.289 -3.585 1.00 0.00 C ATOM 600 OG1 THR A 40 -4.151 11.991 -3.318 1.00 0.00 O ATOM 601 CG2 THR A 40 -6.487 12.104 -2.994 1.00 0.00 C ATOM 0 H THR A 40 -3.826 9.443 -4.509 1.00 0.00 H new ATOM 0 HA THR A 40 -5.193 9.933 -1.957 1.00 0.00 H new ATOM 0 HB THR A 40 -5.525 11.175 -4.655 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.219 12.902 -3.673 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.479 13.105 -3.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.437 11.619 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.361 12.174 -1.914 1.00 0.00 H new ATOM 609 N ILE A 41 -7.119 8.412 -2.423 1.00 0.00 N ATOM 610 CA ILE A 41 -8.280 7.552 -2.650 1.00 0.00 C ATOM 611 C ILE A 41 -9.574 8.140 -2.084 1.00 0.00 C ATOM 612 O ILE A 41 -9.598 8.661 -0.974 1.00 0.00 O ATOM 613 CB ILE A 41 -8.031 6.157 -2.013 1.00 0.00 C ATOM 614 CG1 ILE A 41 -6.689 5.590 -2.512 1.00 0.00 C ATOM 615 CG2 ILE A 41 -9.181 5.202 -2.336 1.00 0.00 C ATOM 616 CD1 ILE A 41 -6.264 4.290 -1.856 1.00 0.00 C ATOM 0 H ILE A 41 -6.824 8.470 -1.448 1.00 0.00 H new ATOM 0 HA ILE A 41 -8.405 7.466 -3.729 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.984 6.266 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.755 5.433 -3.589 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.911 6.336 -2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.986 4.231 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.113 5.608 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -9.265 5.086 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.309 3.968 -2.271 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.160 4.441 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.017 3.525 -2.044 1.00 0.00 H new ATOM 628 N HIS A 42 -10.661 7.999 -2.853 1.00 0.00 N ATOM 629 CA HIS A 42 -11.980 8.458 -2.427 1.00 0.00 C ATOM 630 C HIS A 42 -12.804 7.246 -2.006 1.00 0.00 C ATOM 631 O HIS A 42 -12.755 6.201 -2.665 1.00 0.00 O ATOM 632 CB HIS A 42 -12.699 9.231 -3.547 1.00 0.00 C ATOM 633 CG HIS A 42 -12.092 10.567 -3.898 1.00 0.00 C ATOM 634 ND1 HIS A 42 -12.577 11.356 -4.922 1.00 0.00 N ATOM 635 CD2 HIS A 42 -11.051 11.260 -3.361 1.00 0.00 C ATOM 636 CE1 HIS A 42 -11.865 12.466 -5.001 1.00 0.00 C ATOM 637 NE2 HIS A 42 -10.934 12.431 -4.065 1.00 0.00 N ATOM 0 H HIS A 42 -10.648 7.568 -3.777 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.862 9.143 -1.588 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.714 8.610 -4.443 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.736 9.388 -3.250 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -10.432 10.946 -2.534 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -12.018 13.266 -5.710 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -10.240 13.158 -3.893 1.00 0.00 H new ATOM 646 N ARG A 43 -13.528 7.373 -0.895 1.00 0.00 N ATOM 647 CA ARG A 43 -14.328 6.284 -0.365 1.00 0.00 C ATOM 648 C ARG A 43 -15.405 5.824 -1.353 1.00 0.00 C ATOM 649 O ARG A 43 -16.127 6.639 -1.936 1.00 0.00 O ATOM 650 CB ARG A 43 -14.924 6.704 0.983 1.00 0.00 C ATOM 651 CG ARG A 43 -15.943 7.824 0.938 1.00 0.00 C ATOM 652 CD ARG A 43 -16.400 8.231 2.335 1.00 0.00 C ATOM 653 NE ARG A 43 -17.067 7.137 3.057 1.00 0.00 N ATOM 654 CZ ARG A 43 -18.283 6.655 2.764 1.00 0.00 C ATOM 655 NH1 ARG A 43 -19.016 7.182 1.786 1.00 0.00 N ATOM 656 NH2 ARG A 43 -18.774 5.645 3.469 1.00 0.00 N ATOM 0 H ARG A 43 -13.573 8.230 -0.344 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.683 5.420 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.392 5.831 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.109 7.007 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -15.512 8.687 0.431 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -16.805 7.507 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -15.538 8.568 2.911 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -17.082 9.078 2.257 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.567 6.714 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -18.655 7.967 1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -19.939 6.801 1.578 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -18.227 5.240 4.229 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -19.699 5.273 3.252 1.00 0.00 H new ATOM 670 N GLY A 44 -15.488 4.503 -1.537 1.00 0.00 N ATOM 671 CA GLY A 44 -16.461 3.931 -2.454 1.00 0.00 C ATOM 672 C GLY A 44 -15.862 3.546 -3.798 1.00 0.00 C ATOM 673 O GLY A 44 -16.495 2.823 -4.572 1.00 0.00 O ATOM 0 H GLY A 44 -14.896 3.820 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.907 3.048 -1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.266 4.649 -2.614 1.00 0.00 H new ATOM 677 N GLN A 45 -14.648 4.032 -4.081 1.00 0.00 N ATOM 678 CA GLN A 45 -13.975 3.732 -5.349 1.00 0.00 C ATOM 679 C GLN A 45 -13.357 2.336 -5.348 1.00 0.00 C ATOM 680 O GLN A 45 -13.219 1.703 -4.299 1.00 0.00 O ATOM 681 CB GLN A 45 -12.888 4.766 -5.642 1.00 0.00 C ATOM 682 CG GLN A 45 -13.424 6.143 -5.991 1.00 0.00 C ATOM 683 CD GLN A 45 -12.338 7.079 -6.485 1.00 0.00 C ATOM 684 OE1 GLN A 45 -11.342 7.314 -5.798 1.00 0.00 O ATOM 685 NE2 GLN A 45 -12.523 7.620 -7.685 1.00 0.00 N ATOM 0 H GLN A 45 -14.114 4.632 -3.452 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.736 3.771 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.237 4.851 -4.772 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.272 4.407 -6.467 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.193 6.047 -6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.902 6.577 -5.113 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.362 7.398 -8.220 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.826 8.257 -8.070 1.00 0.00 H new ATOM 694 N VAL A 46 -12.981 1.872 -6.543 1.00 0.00 N ATOM 695 CA VAL A 46 -12.366 0.557 -6.713 1.00 0.00 C ATOM 696 C VAL A 46 -10.847 0.695 -6.765 1.00 0.00 C ATOM 697 O VAL A 46 -10.318 1.395 -7.626 1.00 0.00 O ATOM 698 CB VAL A 46 -12.837 -0.140 -8.013 1.00 0.00 C ATOM 699 CG1 VAL A 46 -12.546 -1.631 -7.969 1.00 0.00 C ATOM 700 CG2 VAL A 46 -14.312 0.114 -8.281 1.00 0.00 C ATOM 0 H VAL A 46 -13.094 2.394 -7.412 1.00 0.00 H new ATOM 0 HA VAL A 46 -12.670 -0.051 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.272 0.294 -8.838 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.887 -2.096 -8.894 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.473 -1.789 -7.857 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.069 -2.079 -7.124 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.607 -0.390 -9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.904 -0.271 -7.451 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.484 1.185 -8.384 1.00 0.00 H new ATOM 710 N VAL A 47 -10.155 0.029 -5.842 1.00 0.00 N ATOM 711 CA VAL A 47 -8.694 0.081 -5.793 1.00 0.00 C ATOM 712 C VAL A 47 -8.107 -1.317 -5.966 1.00 0.00 C ATOM 713 O VAL A 47 -8.410 -2.227 -5.189 1.00 0.00 O ATOM 714 CB VAL A 47 -8.177 0.699 -4.470 1.00 0.00 C ATOM 715 CG1 VAL A 47 -6.681 0.969 -4.546 1.00 0.00 C ATOM 716 CG2 VAL A 47 -8.927 1.980 -4.133 1.00 0.00 C ATOM 0 H VAL A 47 -10.581 -0.552 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.369 0.722 -6.613 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.359 -0.024 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -6.341 1.403 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.151 0.034 -4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -6.478 1.664 -5.361 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.543 2.392 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.787 2.705 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.989 1.762 -4.023 1.00 0.00 H new ATOM 726 N TYR A 48 -7.271 -1.481 -6.990 1.00 0.00 N ATOM 727 CA TYR A 48 -6.648 -2.771 -7.268 1.00 0.00 C ATOM 728 C TYR A 48 -5.292 -2.879 -6.575 1.00 0.00 C ATOM 729 O TYR A 48 -4.425 -2.018 -6.749 1.00 0.00 O ATOM 730 CB TYR A 48 -6.485 -3.000 -8.781 1.00 0.00 C ATOM 731 CG TYR A 48 -7.787 -3.182 -9.550 1.00 0.00 C ATOM 732 CD1 TYR A 48 -8.695 -2.138 -9.712 1.00 0.00 C ATOM 733 CD2 TYR A 48 -8.102 -4.409 -10.121 1.00 0.00 C ATOM 734 CE1 TYR A 48 -9.870 -2.316 -10.417 1.00 0.00 C ATOM 735 CE2 TYR A 48 -9.275 -4.592 -10.827 1.00 0.00 C ATOM 736 CZ TYR A 48 -10.155 -3.543 -10.973 1.00 0.00 C ATOM 737 OH TYR A 48 -11.325 -3.721 -11.677 1.00 0.00 O ATOM 0 H TYR A 48 -7.011 -0.738 -7.639 1.00 0.00 H new ATOM 0 HA TYR A 48 -7.308 -3.544 -6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.946 -2.153 -9.205 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.864 -3.882 -8.935 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.477 -1.173 -9.279 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.416 -5.236 -10.011 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.563 -1.495 -10.532 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.501 -5.554 -11.263 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.373 -4.643 -12.004 1.00 0.00 H new ATOM 747 N VAL A 49 -5.121 -3.946 -5.790 1.00 0.00 N ATOM 748 CA VAL A 49 -3.873 -4.185 -5.063 1.00 0.00 C ATOM 749 C VAL A 49 -2.896 -4.968 -5.941 1.00 0.00 C ATOM 750 O VAL A 49 -3.258 -5.995 -6.514 1.00 0.00 O ATOM 751 CB VAL A 49 -4.120 -4.963 -3.743 1.00 0.00 C ATOM 752 CG1 VAL A 49 -2.844 -5.062 -2.915 1.00 0.00 C ATOM 753 CG2 VAL A 49 -5.231 -4.309 -2.931 1.00 0.00 C ATOM 0 H VAL A 49 -5.834 -4.660 -5.642 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.447 -3.214 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.432 -5.974 -4.006 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.048 -5.612 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.078 -5.584 -3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.492 -4.060 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.387 -4.871 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -4.949 -3.285 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.152 -4.303 -3.513 1.00 0.00 H new ATOM 763 N PHE A 50 -1.666 -4.463 -6.050 1.00 0.00 N ATOM 764 CA PHE A 50 -0.636 -5.100 -6.869 1.00 0.00 C ATOM 765 C PHE A 50 0.502 -5.676 -6.026 1.00 0.00 C ATOM 766 O PHE A 50 1.091 -6.693 -6.400 1.00 0.00 O ATOM 767 CB PHE A 50 -0.059 -4.105 -7.889 1.00 0.00 C ATOM 768 CG PHE A 50 -0.943 -3.836 -9.085 1.00 0.00 C ATOM 769 CD1 PHE A 50 -2.126 -3.119 -8.963 1.00 0.00 C ATOM 770 CD2 PHE A 50 -0.579 -4.302 -10.339 1.00 0.00 C ATOM 771 CE1 PHE A 50 -2.923 -2.876 -10.065 1.00 0.00 C ATOM 772 CE2 PHE A 50 -1.374 -4.062 -11.443 1.00 0.00 C ATOM 773 CZ PHE A 50 -2.548 -3.348 -11.305 1.00 0.00 C ATOM 0 H PHE A 50 -1.359 -3.612 -5.579 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.121 -5.924 -7.392 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.139 -3.161 -7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.900 -4.484 -8.242 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.427 -2.747 -7.995 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.338 -4.860 -10.454 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.840 -2.316 -9.955 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.078 -4.432 -12.413 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.171 -3.160 -12.167 1.00 0.00 H new ATOM 783 N SER A 51 0.832 -5.017 -4.905 1.00 0.00 N ATOM 784 CA SER A 51 1.930 -5.483 -4.051 1.00 0.00 C ATOM 785 C SER A 51 1.704 -5.207 -2.566 1.00 0.00 C ATOM 786 O SER A 51 1.077 -4.218 -2.194 1.00 0.00 O ATOM 787 CB SER A 51 3.241 -4.822 -4.477 1.00 0.00 C ATOM 788 OG SER A 51 3.142 -3.409 -4.419 1.00 0.00 O ATOM 0 H SER A 51 0.362 -4.174 -4.574 1.00 0.00 H new ATOM 0 HA SER A 51 1.975 -6.564 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.050 -5.160 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.495 -5.131 -5.491 1.00 0.00 H new ATOM 0 HG SER A 51 3.994 -3.010 -4.694 1.00 0.00 H new ATOM 794 N LYS A 52 2.269 -6.086 -1.726 1.00 0.00 N ATOM 795 CA LYS A 52 2.188 -5.944 -0.264 1.00 0.00 C ATOM 796 C LYS A 52 3.606 -5.810 0.297 1.00 0.00 C ATOM 797 O LYS A 52 4.412 -6.731 0.163 1.00 0.00 O ATOM 798 CB LYS A 52 1.472 -7.143 0.380 1.00 0.00 C ATOM 799 CG LYS A 52 0.167 -7.528 -0.303 1.00 0.00 C ATOM 800 CD LYS A 52 -0.514 -8.688 0.406 1.00 0.00 C ATOM 801 CE LYS A 52 -1.813 -9.077 -0.281 1.00 0.00 C ATOM 802 NZ LYS A 52 -2.487 -10.211 0.409 1.00 0.00 N ATOM 0 H LYS A 52 2.790 -6.907 -2.035 1.00 0.00 H new ATOM 0 HA LYS A 52 1.605 -5.053 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.143 -8.002 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.268 -6.912 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.503 -6.668 -0.321 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.365 -7.800 -1.340 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.158 -9.546 0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.717 -8.414 1.441 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.483 -8.217 -0.306 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.609 -9.351 -1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.369 -10.446 -0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.858 -11.040 0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.705 -9.941 1.389 1.00 0.00 H new ATOM 816 N LEU A 53 3.921 -4.651 0.893 1.00 0.00 N ATOM 817 CA LEU A 53 5.271 -4.391 1.425 1.00 0.00 C ATOM 818 C LEU A 53 5.621 -5.285 2.622 1.00 0.00 C ATOM 819 O LEU A 53 4.745 -5.677 3.396 1.00 0.00 O ATOM 820 CB LEU A 53 5.409 -2.912 1.808 1.00 0.00 C ATOM 821 CG LEU A 53 5.008 -1.903 0.714 1.00 0.00 C ATOM 822 CD1 LEU A 53 5.059 -0.487 1.265 1.00 0.00 C ATOM 823 CD2 LEU A 53 5.897 -2.032 -0.522 1.00 0.00 C ATOM 0 H LEU A 53 3.264 -3.881 1.020 1.00 0.00 H new ATOM 0 HA LEU A 53 5.979 -4.634 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.799 -2.725 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.445 -2.723 2.090 1.00 0.00 H new ATOM 0 HG LEU A 53 3.987 -2.127 0.407 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.774 0.218 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.369 -0.398 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.071 -0.264 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.585 -1.305 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.935 -1.845 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.807 -3.038 -0.932 1.00 0.00 H new ATOM 835 N LYS A 54 6.921 -5.609 2.748 1.00 0.00 N ATOM 836 CA LYS A 54 7.417 -6.469 3.833 1.00 0.00 C ATOM 837 C LYS A 54 8.386 -5.737 4.765 1.00 0.00 C ATOM 838 O LYS A 54 8.520 -6.112 5.933 1.00 0.00 O ATOM 839 CB LYS A 54 8.141 -7.690 3.260 1.00 0.00 C ATOM 840 CG LYS A 54 7.278 -8.583 2.395 1.00 0.00 C ATOM 841 CD LYS A 54 8.096 -9.705 1.768 1.00 0.00 C ATOM 842 CE LYS A 54 8.449 -10.794 2.774 1.00 0.00 C ATOM 843 NZ LYS A 54 9.246 -11.887 2.155 1.00 0.00 N ATOM 0 H LYS A 54 7.647 -5.286 2.109 1.00 0.00 H new ATOM 0 HA LYS A 54 6.541 -6.771 4.407 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.993 -7.349 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.540 -8.280 4.085 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.474 -9.008 2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.809 -7.989 1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.535 -10.144 0.943 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.012 -9.292 1.346 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.012 -10.357 3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.533 -11.208 3.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.696 -12.770 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.472 -11.638 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.128 -12.019 2.690 1.00 0.00 H new ATOM 857 N GLY A 55 9.082 -4.723 4.235 1.00 0.00 N ATOM 858 CA GLY A 55 10.063 -3.973 5.021 1.00 0.00 C ATOM 859 C GLY A 55 9.453 -3.135 6.131 1.00 0.00 C ATOM 860 O GLY A 55 8.942 -3.673 7.117 1.00 0.00 O ATOM 0 H GLY A 55 8.983 -4.406 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.776 -4.673 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.626 -3.320 4.354 1.00 0.00 H new ATOM 864 N ARG A 56 9.514 -1.812 5.972 1.00 0.00 N ATOM 865 CA ARG A 56 8.968 -0.885 6.967 1.00 0.00 C ATOM 866 C ARG A 56 7.484 -0.621 6.711 1.00 0.00 C ATOM 867 O ARG A 56 6.893 0.291 7.300 1.00 0.00 O ATOM 868 CB ARG A 56 9.751 0.432 6.955 1.00 0.00 C ATOM 869 CG ARG A 56 11.220 0.275 7.314 1.00 0.00 C ATOM 870 CD ARG A 56 11.950 1.607 7.276 1.00 0.00 C ATOM 871 NE ARG A 56 13.366 1.465 7.616 1.00 0.00 N ATOM 872 CZ ARG A 56 14.238 2.478 7.654 1.00 0.00 C ATOM 873 NH1 ARG A 56 13.855 3.720 7.373 1.00 0.00 N ATOM 874 NH2 ARG A 56 15.503 2.243 7.976 1.00 0.00 N ATOM 0 H ARG A 56 9.936 -1.357 5.163 1.00 0.00 H new ATOM 0 HA ARG A 56 9.068 -1.345 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 56 9.674 0.881 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.287 1.126 7.656 1.00 0.00 H new ATOM 0 HG2 ARG A 56 11.307 -0.160 8.309 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.693 -0.420 6.620 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.858 2.043 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 56 11.477 2.300 7.972 1.00 0.00 H new ATOM 0 HE ARG A 56 13.711 0.531 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.884 3.910 7.124 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.532 4.482 7.406 1.00 0.00 H new ATOM 0 HH21 ARG A 56 15.806 1.294 8.193 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.173 3.012 8.007 1.00 0.00 H new ATOM 888 N GLY A 57 6.890 -1.434 5.834 1.00 0.00 N ATOM 889 CA GLY A 57 5.486 -1.298 5.507 1.00 0.00 C ATOM 890 C GLY A 57 4.722 -2.584 5.736 1.00 0.00 C ATOM 891 O GLY A 57 4.126 -3.130 4.807 1.00 0.00 O ATOM 0 H GLY A 57 7.367 -2.190 5.343 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.048 -0.504 6.112 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.384 -0.997 4.464 1.00 0.00 H new ATOM 895 N ARG A 58 4.754 -3.063 6.983 1.00 0.00 N ATOM 896 CA ARG A 58 4.068 -4.301 7.379 1.00 0.00 C ATOM 897 C ARG A 58 2.586 -4.236 7.032 1.00 0.00 C ATOM 898 O ARG A 58 2.049 -5.124 6.365 1.00 0.00 O ATOM 899 CB ARG A 58 4.214 -4.528 8.887 1.00 0.00 C ATOM 900 CG ARG A 58 5.649 -4.521 9.391 1.00 0.00 C ATOM 901 CD ARG A 58 6.386 -5.813 9.057 1.00 0.00 C ATOM 902 NE ARG A 58 5.775 -6.980 9.697 1.00 0.00 N ATOM 903 CZ ARG A 58 6.222 -8.233 9.568 1.00 0.00 C ATOM 904 NH1 ARG A 58 7.291 -8.503 8.822 1.00 0.00 N ATOM 905 NH2 ARG A 58 5.597 -9.221 10.191 1.00 0.00 N ATOM 0 H ARG A 58 5.254 -2.607 7.746 1.00 0.00 H new ATOM 0 HA ARG A 58 4.528 -5.125 6.834 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.654 -3.755 9.414 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.757 -5.484 9.143 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.182 -3.678 8.952 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.652 -4.373 10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.394 -5.956 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 58 7.425 -5.729 9.375 1.00 0.00 H new ATOM 0 HE ARG A 58 4.953 -6.826 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.780 -7.749 8.340 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.621 -9.464 8.733 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.778 -9.024 10.766 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.935 -10.179 10.095 1.00 0.00 H new ATOM 919 N LEU A 59 1.942 -3.170 7.498 1.00 0.00 N ATOM 920 CA LEU A 59 0.518 -2.953 7.258 1.00 0.00 C ATOM 921 C LEU A 59 0.297 -1.996 6.082 1.00 0.00 C ATOM 922 O LEU A 59 -0.790 -1.430 5.927 1.00 0.00 O ATOM 923 CB LEU A 59 -0.152 -2.401 8.526 1.00 0.00 C ATOM 924 CG LEU A 59 -0.054 -3.298 9.771 1.00 0.00 C ATOM 925 CD1 LEU A 59 -0.517 -2.539 11.006 1.00 0.00 C ATOM 926 CD2 LEU A 59 -0.877 -4.570 9.596 1.00 0.00 C ATOM 0 H LEU A 59 2.388 -2.437 8.049 1.00 0.00 H new ATOM 0 HA LEU A 59 0.065 -3.911 7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.294 -1.434 8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.205 -2.222 8.311 1.00 0.00 H new ATOM 0 HG LEU A 59 0.990 -3.583 9.901 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.442 -3.186 11.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.112 -1.660 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.553 -2.226 10.874 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.790 -5.186 10.491 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.923 -4.308 9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.507 -5.127 8.735 1.00 0.00 H new ATOM 938 N PHE A 60 1.333 -1.822 5.255 1.00 0.00 N ATOM 939 CA PHE A 60 1.252 -0.936 4.096 1.00 0.00 C ATOM 940 C PHE A 60 1.285 -1.725 2.790 1.00 0.00 C ATOM 941 O PHE A 60 2.211 -2.507 2.532 1.00 0.00 O ATOM 942 CB PHE A 60 2.385 0.103 4.105 1.00 0.00 C ATOM 943 CG PHE A 60 2.251 1.177 5.160 1.00 0.00 C ATOM 944 CD1 PHE A 60 2.479 0.903 6.503 1.00 0.00 C ATOM 945 CD2 PHE A 60 1.896 2.468 4.799 1.00 0.00 C ATOM 946 CE1 PHE A 60 2.356 1.893 7.459 1.00 0.00 C ATOM 947 CE2 PHE A 60 1.771 3.461 5.753 1.00 0.00 C ATOM 948 CZ PHE A 60 2.002 3.174 7.083 1.00 0.00 C ATOM 0 H PHE A 60 2.235 -2.284 5.369 1.00 0.00 H new ATOM 0 HA PHE A 60 0.299 -0.412 4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.333 -0.415 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 60 2.430 0.579 3.126 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.756 -0.097 6.804 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.715 2.701 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.536 1.665 8.499 1.00 0.00 H new ATOM 0 HE2 PHE A 60 1.492 4.462 5.457 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.906 3.950 7.828 1.00 0.00 H new ATOM 958 N TRP A 61 0.263 -1.503 1.970 1.00 0.00 N ATOM 959 CA TRP A 61 0.143 -2.166 0.678 1.00 0.00 C ATOM 960 C TRP A 61 0.376 -1.164 -0.449 1.00 0.00 C ATOM 961 O TRP A 61 0.788 -0.030 -0.195 1.00 0.00 O ATOM 962 CB TRP A 61 -1.241 -2.832 0.552 1.00 0.00 C ATOM 963 CG TRP A 61 -1.429 -4.068 1.409 1.00 0.00 C ATOM 964 CD1 TRP A 61 -0.468 -4.767 2.092 1.00 0.00 C ATOM 965 CD2 TRP A 61 -2.668 -4.740 1.683 1.00 0.00 C ATOM 966 NE1 TRP A 61 -1.026 -5.833 2.746 1.00 0.00 N ATOM 967 CE2 TRP A 61 -2.375 -5.834 2.521 1.00 0.00 C ATOM 968 CE3 TRP A 61 -3.996 -4.526 1.301 1.00 0.00 C ATOM 969 CZ2 TRP A 61 -3.358 -6.707 2.982 1.00 0.00 C ATOM 970 CZ3 TRP A 61 -4.970 -5.392 1.761 1.00 0.00 C ATOM 971 CH2 TRP A 61 -4.646 -6.470 2.594 1.00 0.00 C ATOM 0 H TRP A 61 -0.501 -0.862 2.181 1.00 0.00 H new ATOM 0 HA TRP A 61 0.902 -2.944 0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -2.006 -2.102 0.818 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.406 -3.101 -0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.581 -4.513 2.112 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.518 -6.515 3.309 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.256 -3.698 0.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.111 -7.541 3.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.999 -5.235 1.473 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.431 -7.128 2.937 1.00 0.00 H new ATOM 982 N GLY A 62 0.124 -1.586 -1.686 1.00 0.00 N ATOM 983 CA GLY A 62 0.322 -0.711 -2.827 1.00 0.00 C ATOM 984 C GLY A 62 -0.385 -1.210 -4.064 1.00 0.00 C ATOM 985 O GLY A 62 -0.780 -2.374 -4.130 1.00 0.00 O ATOM 0 H GLY A 62 -0.214 -2.520 -1.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.040 0.288 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.389 -0.622 -3.032 1.00 0.00 H new ATOM 989 N GLY A 63 -0.547 -0.319 -5.040 1.00 0.00 N ATOM 990 CA GLY A 63 -1.213 -0.665 -6.280 1.00 0.00 C ATOM 991 C GLY A 63 -1.609 0.561 -7.076 1.00 0.00 C ATOM 992 O GLY A 63 -0.888 1.567 -7.082 1.00 0.00 O ATOM 0 H GLY A 63 -0.224 0.647 -4.990 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.554 -1.290 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.102 -1.257 -6.061 1.00 0.00 H new ATOM 996 N SER A 64 -2.759 0.477 -7.741 1.00 0.00 N ATOM 997 CA SER A 64 -3.273 1.582 -8.545 1.00 0.00 C ATOM 998 C SER A 64 -4.785 1.696 -8.387 1.00 0.00 C ATOM 999 O SER A 64 -5.486 0.685 -8.287 1.00 0.00 O ATOM 1000 CB SER A 64 -2.902 1.394 -10.017 1.00 0.00 C ATOM 1001 OG SER A 64 -1.500 1.480 -10.206 1.00 0.00 O ATOM 0 H SER A 64 -3.355 -0.350 -7.738 1.00 0.00 H new ATOM 0 HA SER A 64 -2.817 2.507 -8.191 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.260 0.425 -10.364 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.400 2.153 -10.620 1.00 0.00 H new ATOM 0 HG SER A 64 -1.290 1.355 -11.155 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.275 2.935 -8.348 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.702 3.199 -8.183 1.00 0.00 C ATOM 1009 C VAL A 65 -7.410 3.290 -9.534 1.00 0.00 C ATOM 1010 O VAL A 65 -6.956 3.992 -10.438 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.941 4.513 -7.394 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -8.429 4.739 -7.134 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -6.171 4.496 -6.080 1.00 0.00 C ATOM 0 H VAL A 65 -4.701 3.774 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.116 2.363 -7.620 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.575 5.339 -8.004 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.565 5.667 -6.579 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.959 4.803 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.827 3.908 -6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.351 5.426 -5.541 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.505 3.654 -5.473 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.105 4.396 -6.284 1.00 0.00 H new ATOM 1023 N GLN A 66 -8.533 2.579 -9.648 1.00 0.00 N ATOM 1024 CA GLN A 66 -9.330 2.581 -10.870 1.00 0.00 C ATOM 1025 C GLN A 66 -10.803 2.859 -10.548 1.00 0.00 C ATOM 1026 O GLN A 66 -11.557 1.951 -10.186 1.00 0.00 O ATOM 1027 CB GLN A 66 -9.174 1.247 -11.612 1.00 0.00 C ATOM 1028 CG GLN A 66 -9.988 1.159 -12.898 1.00 0.00 C ATOM 1029 CD GLN A 66 -9.781 -0.133 -13.691 1.00 0.00 C ATOM 1030 OE1 GLN A 66 -8.835 -0.979 -13.276 1.00 0.00 O flip ATOM 1031 NE2 GLN A 66 -10.467 -0.363 -14.686 1.00 0.00 N flip ATOM 0 H GLN A 66 -8.910 1.993 -8.903 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.969 3.377 -11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -8.121 1.095 -11.849 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -9.472 0.436 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.045 1.254 -12.651 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.732 2.006 -13.534 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.182 0.303 -14.978 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -10.321 -1.220 -15.219 1.00 0.00 H new ATOM 1040 N GLY A 67 -11.200 4.125 -10.685 1.00 0.00 N ATOM 1041 CA GLY A 67 -12.574 4.519 -10.412 1.00 0.00 C ATOM 1042 C GLY A 67 -13.198 5.261 -11.577 1.00 0.00 C ATOM 1043 O GLY A 67 -14.387 5.094 -11.864 1.00 0.00 O ATOM 0 H GLY A 67 -10.591 4.887 -10.982 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.167 3.632 -10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -12.600 5.152 -9.525 1.00 0.00 H new ATOM 1047 N ASP A 68 -12.383 6.073 -12.247 1.00 0.00 N ATOM 1048 CA ASP A 68 -12.829 6.854 -13.402 1.00 0.00 C ATOM 1049 C ASP A 68 -11.682 7.029 -14.394 1.00 0.00 C ATOM 1050 O ASP A 68 -11.913 7.257 -15.586 1.00 0.00 O ATOM 1051 CB ASP A 68 -13.365 8.217 -12.950 1.00 0.00 C ATOM 1052 CG ASP A 68 -13.982 9.016 -14.086 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -14.973 8.538 -14.679 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -13.475 10.118 -14.380 1.00 0.00 O ATOM 0 H ASP A 68 -11.401 6.209 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.637 6.316 -13.898 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.112 8.068 -12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.552 8.793 -12.507 1.00 0.00 H new ATOM 1059 N TYR A 69 -10.449 6.892 -13.867 1.00 0.00 N ATOM 1060 CA TYR A 69 -9.184 6.992 -14.629 1.00 0.00 C ATOM 1061 C TYR A 69 -8.792 8.444 -14.957 1.00 0.00 C ATOM 1062 O TYR A 69 -7.628 8.811 -14.789 1.00 0.00 O ATOM 1063 CB TYR A 69 -9.229 6.128 -15.910 1.00 0.00 C ATOM 1064 CG TYR A 69 -7.873 5.814 -16.529 1.00 0.00 C ATOM 1065 CD1 TYR A 69 -6.820 5.321 -15.761 1.00 0.00 C ATOM 1066 CD2 TYR A 69 -7.660 5.995 -17.889 1.00 0.00 C ATOM 1067 CE1 TYR A 69 -5.597 5.026 -16.331 1.00 0.00 C ATOM 1068 CE2 TYR A 69 -6.439 5.697 -18.467 1.00 0.00 C ATOM 1069 CZ TYR A 69 -5.411 5.216 -17.684 1.00 0.00 C ATOM 1070 OH TYR A 69 -4.196 4.919 -18.255 1.00 0.00 O ATOM 0 H TYR A 69 -10.299 6.704 -12.876 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.404 6.599 -13.976 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.731 5.189 -15.678 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -9.840 6.640 -16.653 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -6.963 5.167 -14.702 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.461 6.375 -18.506 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.790 4.648 -15.720 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -6.292 5.841 -19.527 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.231 5.108 -19.216 1.00 0.00 H new ATOM 1080 N TYR A 70 -9.757 9.255 -15.432 1.00 0.00 N ATOM 1081 CA TYR A 70 -9.525 10.669 -15.797 1.00 0.00 C ATOM 1082 C TYR A 70 -8.431 10.824 -16.867 1.00 0.00 C ATOM 1083 O TYR A 70 -7.897 11.922 -17.059 1.00 0.00 O ATOM 1084 CB TYR A 70 -9.153 11.521 -14.568 1.00 0.00 C ATOM 1085 CG TYR A 70 -10.238 11.656 -13.517 1.00 0.00 C ATOM 1086 CD1 TYR A 70 -10.338 10.752 -12.467 1.00 0.00 C ATOM 1087 CD2 TYR A 70 -11.153 12.701 -13.572 1.00 0.00 C ATOM 1088 CE1 TYR A 70 -11.319 10.886 -11.501 1.00 0.00 C ATOM 1089 CE2 TYR A 70 -12.137 12.840 -12.612 1.00 0.00 C ATOM 1090 CZ TYR A 70 -12.216 11.930 -11.579 1.00 0.00 C ATOM 1091 OH TYR A 70 -13.192 12.066 -10.620 1.00 0.00 O ATOM 0 H TYR A 70 -10.720 8.950 -15.574 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.468 11.028 -16.210 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -8.270 11.087 -14.100 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -8.875 12.518 -14.909 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.639 9.931 -12.404 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.094 13.416 -14.379 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.382 10.176 -10.690 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.841 13.657 -12.670 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.740 12.853 -10.821 1.00 0.00 H new ATOM 1101 N GLY A 71 -8.096 9.726 -17.552 1.00 0.00 N ATOM 1102 CA GLY A 71 -7.064 9.767 -18.577 1.00 0.00 C ATOM 1103 C GLY A 71 -5.704 9.350 -18.041 1.00 0.00 C ATOM 1104 O GLY A 71 -4.973 8.609 -18.703 1.00 0.00 O ATOM 0 H GLY A 71 -8.523 8.810 -17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.345 9.110 -19.400 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.998 10.776 -18.984 1.00 0.00 H new ATOM 1108 N ASP A 72 -5.371 9.830 -16.839 1.00 0.00 N ATOM 1109 CA ASP A 72 -4.096 9.515 -16.192 1.00 0.00 C ATOM 1110 C ASP A 72 -4.292 9.305 -14.691 1.00 0.00 C ATOM 1111 O ASP A 72 -4.568 10.259 -13.957 1.00 0.00 O ATOM 1112 CB ASP A 72 -3.083 10.642 -16.423 1.00 0.00 C ATOM 1113 CG ASP A 72 -2.733 10.837 -17.886 1.00 0.00 C ATOM 1114 OD1 ASP A 72 -2.199 9.890 -18.501 1.00 0.00 O ATOM 1115 OD2 ASP A 72 -2.994 11.938 -18.416 1.00 0.00 O ATOM 0 H ASP A 72 -5.974 10.444 -16.291 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.713 8.595 -16.633 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.487 11.573 -16.025 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.173 10.425 -15.864 1.00 0.00 H new ATOM 1120 N LEU A 73 -4.146 8.054 -14.239 1.00 0.00 N ATOM 1121 CA LEU A 73 -4.305 7.722 -12.822 1.00 0.00 C ATOM 1122 C LEU A 73 -3.537 6.454 -12.461 1.00 0.00 C ATOM 1123 O LEU A 73 -2.838 6.413 -11.445 1.00 0.00 O ATOM 1124 CB LEU A 73 -5.782 7.548 -12.474 1.00 0.00 C ATOM 1125 CG LEU A 73 -6.108 7.623 -10.979 1.00 0.00 C ATOM 1126 CD1 LEU A 73 -5.912 9.038 -10.445 1.00 0.00 C ATOM 1127 CD2 LEU A 73 -7.524 7.154 -10.738 1.00 0.00 C ATOM 0 H LEU A 73 -3.918 7.258 -14.834 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.896 8.549 -12.242 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.355 8.315 -12.994 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.119 6.584 -12.856 1.00 0.00 H new ATOM 0 HG LEU A 73 -5.422 6.968 -10.442 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.151 9.062 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.875 9.342 -10.591 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.570 9.723 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.749 7.210 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.217 7.790 -11.289 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.629 6.124 -11.078 1.00 0.00 H new ATOM 1139 N ALA A 74 -3.673 5.422 -13.296 1.00 0.00 N ATOM 1140 CA ALA A 74 -2.993 4.150 -13.066 1.00 0.00 C ATOM 1141 C ALA A 74 -1.693 4.066 -13.870 1.00 0.00 C ATOM 1142 O ALA A 74 -1.197 2.972 -14.158 1.00 0.00 O ATOM 1143 CB ALA A 74 -3.919 2.986 -13.402 1.00 0.00 C ATOM 0 H ALA A 74 -4.249 5.444 -14.138 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.731 4.088 -12.010 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.399 2.045 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.807 3.034 -12.771 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.214 3.047 -14.449 1.00 0.00 H new ATOM 1149 N ALA A 75 -1.143 5.234 -14.221 1.00 0.00 N ATOM 1150 CA ALA A 75 0.101 5.312 -14.981 1.00 0.00 C ATOM 1151 C ALA A 75 1.300 4.984 -14.098 1.00 0.00 C ATOM 1152 O ALA A 75 2.169 4.199 -14.483 1.00 0.00 O ATOM 1153 CB ALA A 75 0.258 6.694 -15.599 1.00 0.00 C ATOM 0 H ALA A 75 -1.546 6.141 -13.987 1.00 0.00 H new ATOM 0 HA ALA A 75 0.058 4.574 -15.782 1.00 0.00 H new ATOM 0 HB1 ALA A 75 1.190 6.737 -16.162 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.580 6.891 -16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.276 7.446 -14.810 1.00 0.00 H new ATOM 1159 N ARG A 76 1.329 5.584 -12.905 1.00 0.00 N ATOM 1160 CA ARG A 76 2.411 5.353 -11.950 1.00 0.00 C ATOM 1161 C ARG A 76 1.920 4.529 -10.762 1.00 0.00 C ATOM 1162 O ARG A 76 0.727 4.526 -10.448 1.00 0.00 O ATOM 1163 CB ARG A 76 3.046 6.684 -11.494 1.00 0.00 C ATOM 1164 CG ARG A 76 2.063 7.768 -11.043 1.00 0.00 C ATOM 1165 CD ARG A 76 1.682 7.636 -9.570 1.00 0.00 C ATOM 1166 NE ARG A 76 0.929 8.796 -9.075 1.00 0.00 N ATOM 1167 CZ ARG A 76 -0.324 9.111 -9.434 1.00 0.00 C ATOM 1168 NH1 ARG A 76 -1.014 8.341 -10.271 1.00 0.00 N ATOM 1169 NH2 ARG A 76 -0.893 10.201 -8.939 1.00 0.00 N ATOM 0 H ARG A 76 0.614 6.234 -12.579 1.00 0.00 H new ATOM 0 HA ARG A 76 3.189 4.778 -12.452 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.731 6.476 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 76 3.644 7.080 -12.315 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.506 8.749 -11.214 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.162 7.714 -11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 76 1.085 6.734 -9.432 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.586 7.513 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 76 1.395 9.409 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.591 7.494 -10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.966 8.597 -10.532 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.378 10.795 -8.289 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.846 10.446 -9.208 1.00 0.00 H new ATOM 1183 N LEU A 77 2.848 3.821 -10.120 1.00 0.00 N ATOM 1184 CA LEU A 77 2.524 2.973 -8.976 1.00 0.00 C ATOM 1185 C LEU A 77 2.625 3.751 -7.664 1.00 0.00 C ATOM 1186 O LEU A 77 3.604 4.464 -7.430 1.00 0.00 O ATOM 1187 CB LEU A 77 3.461 1.760 -8.948 1.00 0.00 C ATOM 1188 CG LEU A 77 2.787 0.390 -8.721 1.00 0.00 C ATOM 1189 CD1 LEU A 77 2.134 0.309 -7.348 1.00 0.00 C ATOM 1190 CD2 LEU A 77 1.768 0.081 -9.813 1.00 0.00 C ATOM 0 H LEU A 77 3.836 3.819 -10.375 1.00 0.00 H new ATOM 0 HA LEU A 77 1.494 2.631 -9.083 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.004 1.723 -9.892 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.199 1.914 -8.161 1.00 0.00 H new ATOM 0 HG LEU A 77 3.574 -0.363 -8.767 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.670 -0.669 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.890 0.453 -6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.374 1.085 -7.260 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.313 -0.891 -9.622 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.995 0.849 -9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.267 0.063 -10.782 1.00 0.00 H new ATOM 1202 N GLY A 78 1.605 3.598 -6.813 1.00 0.00 N ATOM 1203 CA GLY A 78 1.586 4.279 -5.525 1.00 0.00 C ATOM 1204 C GLY A 78 1.325 3.321 -4.379 1.00 0.00 C ATOM 1205 O GLY A 78 1.154 2.123 -4.605 1.00 0.00 O ATOM 0 H GLY A 78 0.790 3.012 -6.995 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.540 4.782 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.816 5.051 -5.534 1.00 0.00 H new ATOM 1209 N TYR A 79 1.295 3.844 -3.148 1.00 0.00 N ATOM 1210 CA TYR A 79 1.053 3.013 -1.965 1.00 0.00 C ATOM 1211 C TYR A 79 -0.105 3.566 -1.131 1.00 0.00 C ATOM 1212 O TYR A 79 -0.441 4.751 -1.227 1.00 0.00 O ATOM 1213 CB TYR A 79 2.325 2.903 -1.101 1.00 0.00 C ATOM 1214 CG TYR A 79 3.553 2.393 -1.844 1.00 0.00 C ATOM 1215 CD1 TYR A 79 3.549 1.165 -2.505 1.00 0.00 C ATOM 1216 CD2 TYR A 79 4.716 3.149 -1.889 1.00 0.00 C ATOM 1217 CE1 TYR A 79 4.664 0.713 -3.184 1.00 0.00 C ATOM 1218 CE2 TYR A 79 5.836 2.705 -2.566 1.00 0.00 C ATOM 1219 CZ TYR A 79 5.804 1.487 -3.213 1.00 0.00 C ATOM 1220 OH TYR A 79 6.917 1.041 -3.888 1.00 0.00 O ATOM 0 H TYR A 79 1.435 4.834 -2.946 1.00 0.00 H new ATOM 0 HA TYR A 79 0.781 2.016 -2.312 1.00 0.00 H new ATOM 0 HB2 TYR A 79 2.551 3.884 -0.683 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.122 2.238 -0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.657 0.556 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.746 4.104 -1.385 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.642 -0.241 -3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 79 6.732 3.308 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 79 7.634 1.705 -3.812 1.00 0.00 H new ATOM 1230 N PHE A 80 -0.716 2.687 -0.327 1.00 0.00 N ATOM 1231 CA PHE A 80 -1.851 3.057 0.526 1.00 0.00 C ATOM 1232 C PHE A 80 -1.957 2.125 1.750 1.00 0.00 C ATOM 1233 O PHE A 80 -1.504 0.978 1.684 1.00 0.00 O ATOM 1234 CB PHE A 80 -3.161 3.028 -0.297 1.00 0.00 C ATOM 1235 CG PHE A 80 -3.404 1.753 -1.079 1.00 0.00 C ATOM 1236 CD1 PHE A 80 -3.928 0.620 -0.468 1.00 0.00 C ATOM 1237 CD2 PHE A 80 -3.106 1.695 -2.431 1.00 0.00 C ATOM 1238 CE1 PHE A 80 -4.146 -0.538 -1.188 1.00 0.00 C ATOM 1239 CE2 PHE A 80 -3.321 0.539 -3.155 1.00 0.00 C ATOM 1240 CZ PHE A 80 -3.840 -0.579 -2.534 1.00 0.00 C ATOM 0 H PHE A 80 -0.440 1.708 -0.250 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.687 4.069 0.896 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.000 3.185 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.152 3.866 -0.994 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.168 0.646 0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.700 2.565 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.555 -1.410 -0.699 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.083 0.510 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 80 -4.006 -1.484 -3.100 1.00 0.00 H new ATOM 1250 N PRO A 81 -2.555 2.588 2.891 1.00 0.00 N ATOM 1251 CA PRO A 81 -2.700 1.758 4.098 1.00 0.00 C ATOM 1252 C PRO A 81 -3.756 0.667 3.922 1.00 0.00 C ATOM 1253 O PRO A 81 -4.831 0.915 3.373 1.00 0.00 O ATOM 1254 CB PRO A 81 -3.139 2.751 5.188 1.00 0.00 C ATOM 1255 CG PRO A 81 -2.983 4.109 4.590 1.00 0.00 C ATOM 1256 CD PRO A 81 -3.129 3.930 3.109 1.00 0.00 C ATOM 0 HA PRO A 81 -1.774 1.235 4.337 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.172 2.572 5.487 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -2.526 2.645 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -3.738 4.794 4.976 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.010 4.534 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.172 3.981 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.590 4.697 2.553 1.00 0.00 H new ATOM 1264 N SER A 82 -3.440 -0.541 4.392 1.00 0.00 N ATOM 1265 CA SER A 82 -4.353 -1.683 4.288 1.00 0.00 C ATOM 1266 C SER A 82 -5.630 -1.463 5.106 1.00 0.00 C ATOM 1267 O SER A 82 -6.668 -2.074 4.829 1.00 0.00 O ATOM 1268 CB SER A 82 -3.645 -2.956 4.767 1.00 0.00 C ATOM 1269 OG SER A 82 -3.354 -2.889 6.153 1.00 0.00 O ATOM 0 H SER A 82 -2.555 -0.755 4.851 1.00 0.00 H new ATOM 0 HA SER A 82 -4.640 -1.788 3.242 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.274 -3.823 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.722 -3.095 4.205 1.00 0.00 H new ATOM 0 HG SER A 82 -2.511 -2.407 6.287 1.00 0.00 H new ATOM 1275 N SER A 83 -5.535 -0.594 6.114 1.00 0.00 N ATOM 1276 CA SER A 83 -6.657 -0.285 7.002 1.00 0.00 C ATOM 1277 C SER A 83 -7.818 0.421 6.291 1.00 0.00 C ATOM 1278 O SER A 83 -8.934 0.438 6.819 1.00 0.00 O ATOM 1279 CB SER A 83 -6.172 0.576 8.170 1.00 0.00 C ATOM 1280 OG SER A 83 -5.178 -0.097 8.923 1.00 0.00 O ATOM 0 H SER A 83 -4.680 -0.085 6.337 1.00 0.00 H new ATOM 0 HA SER A 83 -7.041 -1.239 7.363 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.771 1.516 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.014 0.826 8.815 1.00 0.00 H new ATOM 0 HG SER A 83 -4.884 0.475 9.662 1.00 0.00 H new ATOM 1286 N ILE A 84 -7.572 1.012 5.113 1.00 0.00 N ATOM 1287 CA ILE A 84 -8.644 1.712 4.393 1.00 0.00 C ATOM 1288 C ILE A 84 -9.214 0.892 3.233 1.00 0.00 C ATOM 1289 O ILE A 84 -10.116 1.359 2.531 1.00 0.00 O ATOM 1290 CB ILE A 84 -8.207 3.102 3.875 1.00 0.00 C ATOM 1291 CG1 ILE A 84 -7.058 2.990 2.873 1.00 0.00 C ATOM 1292 CG2 ILE A 84 -7.815 3.995 5.046 1.00 0.00 C ATOM 1293 CD1 ILE A 84 -6.911 4.211 2.000 1.00 0.00 C ATOM 0 H ILE A 84 -6.664 1.020 4.648 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.431 1.851 5.134 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.052 3.551 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.127 2.824 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.219 2.117 2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.509 4.972 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -8.668 4.114 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -6.988 3.539 5.590 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.078 4.068 1.311 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.829 4.365 1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.719 5.084 2.624 1.00 0.00 H new ATOM 1305 N VAL A 85 -8.701 -0.329 3.033 1.00 0.00 N ATOM 1306 CA VAL A 85 -9.193 -1.185 1.948 1.00 0.00 C ATOM 1307 C VAL A 85 -9.699 -2.525 2.476 1.00 0.00 C ATOM 1308 O VAL A 85 -9.282 -2.982 3.545 1.00 0.00 O ATOM 1309 CB VAL A 85 -8.120 -1.437 0.857 1.00 0.00 C ATOM 1310 CG1 VAL A 85 -7.684 -0.128 0.216 1.00 0.00 C ATOM 1311 CG2 VAL A 85 -6.917 -2.189 1.415 1.00 0.00 C ATOM 0 H VAL A 85 -7.958 -0.740 3.598 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.021 -0.641 1.493 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.574 -2.064 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.931 -0.329 -0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.545 0.357 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.263 0.528 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.187 -2.347 0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.462 -1.605 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.241 -3.153 1.808 1.00 0.00 H new ATOM 1321 N ARG A 86 -10.598 -3.147 1.712 1.00 0.00 N ATOM 1322 CA ARG A 86 -11.165 -4.439 2.085 1.00 0.00 C ATOM 1323 C ARG A 86 -11.154 -5.393 0.890 1.00 0.00 C ATOM 1324 O ARG A 86 -11.930 -5.226 -0.057 1.00 0.00 O ATOM 1325 CB ARG A 86 -12.594 -4.262 2.616 1.00 0.00 C ATOM 1326 CG ARG A 86 -13.211 -5.539 3.170 1.00 0.00 C ATOM 1327 CD ARG A 86 -14.627 -5.301 3.679 1.00 0.00 C ATOM 1328 NE ARG A 86 -15.247 -6.521 4.209 1.00 0.00 N ATOM 1329 CZ ARG A 86 -14.901 -7.118 5.359 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -13.960 -6.602 6.147 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -15.512 -8.236 5.726 1.00 0.00 N ATOM 0 H ARG A 86 -10.948 -2.774 0.830 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.552 -4.870 2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.588 -3.504 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.225 -3.885 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -13.226 -6.303 2.393 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.591 -5.921 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.606 -4.540 4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.240 -4.909 2.868 1.00 0.00 H new ATOM 0 HE ARG A 86 -15.996 -6.946 3.663 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -13.488 -5.738 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -13.711 -7.071 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -16.240 -8.637 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -15.254 -8.695 6.599 1.00 0.00 H new ATOM 1345 N GLU A 87 -10.270 -6.396 0.953 1.00 0.00 N ATOM 1346 CA GLU A 87 -10.148 -7.397 -0.107 1.00 0.00 C ATOM 1347 C GLU A 87 -11.397 -8.274 -0.157 1.00 0.00 C ATOM 1348 O GLU A 87 -11.785 -8.871 0.851 1.00 0.00 O ATOM 1349 CB GLU A 87 -8.902 -8.261 0.111 1.00 0.00 C ATOM 1350 CG GLU A 87 -7.651 -7.722 -0.562 1.00 0.00 C ATOM 1351 CD GLU A 87 -6.460 -8.655 -0.404 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -6.602 -9.860 -0.699 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -5.381 -8.178 0.000 1.00 0.00 O ATOM 0 H GLU A 87 -9.627 -6.534 1.732 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.047 -6.878 -1.060 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.717 -8.350 1.181 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.099 -9.266 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.850 -7.568 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.405 -6.748 -0.139 1.00 0.00 H new ATOM 1360 N ASP A 88 -12.029 -8.328 -1.330 1.00 0.00 N ATOM 1361 CA ASP A 88 -13.248 -9.110 -1.510 1.00 0.00 C ATOM 1362 C ASP A 88 -13.011 -10.321 -2.411 1.00 0.00 C ATOM 1363 O ASP A 88 -13.444 -11.430 -2.086 1.00 0.00 O ATOM 1364 CB ASP A 88 -14.356 -8.220 -2.092 1.00 0.00 C ATOM 1365 CG ASP A 88 -15.727 -8.879 -2.076 1.00 0.00 C ATOM 1366 OD1 ASP A 88 -15.925 -9.874 -2.805 1.00 0.00 O ATOM 1367 OD2 ASP A 88 -16.605 -8.396 -1.331 1.00 0.00 O ATOM 0 H ASP A 88 -11.715 -7.839 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.559 -9.483 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.401 -7.290 -1.525 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.099 -7.956 -3.118 1.00 0.00 H new ATOM 1372 N GLN A 89 -12.346 -10.105 -3.550 1.00 0.00 N ATOM 1373 CA GLN A 89 -12.088 -11.201 -4.497 1.00 0.00 C ATOM 1374 C GLN A 89 -10.675 -11.145 -5.086 1.00 0.00 C ATOM 1375 O GLN A 89 -10.252 -10.114 -5.607 1.00 0.00 O ATOM 1376 CB GLN A 89 -13.131 -11.165 -5.626 1.00 0.00 C ATOM 1377 CG GLN A 89 -13.031 -12.327 -6.608 1.00 0.00 C ATOM 1378 CD GLN A 89 -12.728 -11.873 -8.024 1.00 0.00 C ATOM 1379 OE1 GLN A 89 -11.572 -12.276 -8.541 1.00 0.00 O flip ATOM 1380 NE2 GLN A 89 -13.521 -11.164 -8.646 1.00 0.00 N flip ATOM 0 H GLN A 89 -11.980 -9.197 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 89 -12.168 -12.137 -3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -14.128 -11.162 -5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -13.023 -10.230 -6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.251 -13.012 -6.276 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.968 -12.884 -6.602 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -14.398 -10.877 -8.211 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.300 -10.864 -9.596 1.00 0.00 H new ATOM 1389 N THR A 90 -9.968 -12.282 -5.017 1.00 0.00 N ATOM 1390 CA THR A 90 -8.610 -12.398 -5.557 1.00 0.00 C ATOM 1391 C THR A 90 -8.675 -12.701 -7.057 1.00 0.00 C ATOM 1392 O THR A 90 -9.278 -13.693 -7.471 1.00 0.00 O ATOM 1393 CB THR A 90 -7.838 -13.501 -4.814 1.00 0.00 C ATOM 1394 OG1 THR A 90 -7.833 -13.252 -3.420 1.00 0.00 O ATOM 1395 CG2 THR A 90 -6.393 -13.655 -5.251 1.00 0.00 C ATOM 0 H THR A 90 -10.319 -13.139 -4.589 1.00 0.00 H new ATOM 0 HA THR A 90 -8.083 -11.455 -5.413 1.00 0.00 H new ATOM 0 HB THR A 90 -8.366 -14.422 -5.062 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.339 -13.964 -2.962 1.00 0.00 H new ATOM 0 HG21 THR A 90 -5.923 -14.454 -4.677 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.358 -13.901 -6.312 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.859 -12.721 -5.078 1.00 0.00 H new ATOM 1403 N LEU A 91 -8.060 -11.829 -7.858 1.00 0.00 N ATOM 1404 CA LEU A 91 -8.056 -11.969 -9.317 1.00 0.00 C ATOM 1405 C LEU A 91 -6.919 -12.871 -9.780 1.00 0.00 C ATOM 1406 O LEU A 91 -7.026 -13.543 -10.810 1.00 0.00 O ATOM 1407 CB LEU A 91 -7.879 -10.590 -9.970 1.00 0.00 C ATOM 1408 CG LEU A 91 -8.777 -9.467 -9.432 1.00 0.00 C ATOM 1409 CD1 LEU A 91 -8.189 -8.112 -9.777 1.00 0.00 C ATOM 1410 CD2 LEU A 91 -10.194 -9.588 -9.973 1.00 0.00 C ATOM 0 H LEU A 91 -7.554 -11.011 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.007 -12.413 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.839 -10.285 -9.850 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.060 -10.691 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.825 -9.563 -8.347 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.836 -7.325 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -7.199 -8.021 -9.330 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -8.109 -8.015 -10.860 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -10.806 -8.779 -9.574 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -10.175 -9.526 -11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.618 -10.546 -9.672 1.00 0.00 H new ATOM 1422 N LYS A 92 -5.835 -12.870 -9.011 1.00 0.00 N ATOM 1423 CA LYS A 92 -4.652 -13.676 -9.319 1.00 0.00 C ATOM 1424 C LYS A 92 -3.855 -13.958 -8.030 1.00 0.00 C ATOM 1425 O LYS A 92 -3.625 -13.038 -7.244 1.00 0.00 O ATOM 1426 CB LYS A 92 -3.776 -12.944 -10.351 1.00 0.00 C ATOM 1427 CG LYS A 92 -2.699 -13.822 -10.996 1.00 0.00 C ATOM 1428 CD LYS A 92 -2.964 -14.079 -12.482 1.00 0.00 C ATOM 1429 CE LYS A 92 -4.154 -15.005 -12.720 1.00 0.00 C ATOM 1430 NZ LYS A 92 -3.934 -16.360 -12.141 1.00 0.00 N ATOM 0 H LYS A 92 -5.749 -12.314 -8.160 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.967 -14.629 -9.744 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.417 -12.541 -11.135 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.294 -12.095 -9.865 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.727 -13.342 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -2.648 -14.775 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.143 -13.128 -12.984 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.074 -14.515 -12.935 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -5.049 -14.565 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -4.335 -15.094 -13.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.272 -17.082 -12.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.919 -16.501 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.457 -16.444 -11.246 1.00 0.00 H new ATOM 1444 N PRO A 93 -3.434 -15.233 -7.779 1.00 0.00 N ATOM 1445 CA PRO A 93 -2.679 -15.609 -6.565 1.00 0.00 C ATOM 1446 C PRO A 93 -1.345 -14.880 -6.422 1.00 0.00 C ATOM 1447 O PRO A 93 -0.503 -14.917 -7.323 1.00 0.00 O ATOM 1448 CB PRO A 93 -2.437 -17.109 -6.759 1.00 0.00 C ATOM 1449 CG PRO A 93 -3.529 -17.544 -7.660 1.00 0.00 C ATOM 1450 CD PRO A 93 -3.666 -16.420 -8.630 1.00 0.00 C ATOM 0 HA PRO A 93 -3.230 -15.347 -5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.458 -17.300 -7.199 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -2.469 -17.643 -5.809 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.282 -18.478 -8.164 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -4.456 -17.713 -7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.937 -16.489 -9.437 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.653 -16.401 -9.093 1.00 0.00 H new ATOM 1458 N GLY A 94 -1.161 -14.237 -5.267 1.00 0.00 N ATOM 1459 CA GLY A 94 0.071 -13.521 -4.986 1.00 0.00 C ATOM 1460 C GLY A 94 1.016 -14.361 -4.155 1.00 0.00 C ATOM 1461 O GLY A 94 0.917 -14.382 -2.925 1.00 0.00 O ATOM 0 H GLY A 94 -1.851 -14.201 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.555 -13.244 -5.922 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.156 -12.595 -4.458 1.00 0.00 H new ATOM 1465 N LYS A 95 1.910 -15.075 -4.833 1.00 0.00 N ATOM 1466 CA LYS A 95 2.866 -15.958 -4.164 1.00 0.00 C ATOM 1467 C LYS A 95 4.274 -15.855 -4.766 1.00 0.00 C ATOM 1468 O LYS A 95 5.052 -16.814 -4.724 1.00 0.00 O ATOM 1469 CB LYS A 95 2.353 -17.403 -4.212 1.00 0.00 C ATOM 1470 CG LYS A 95 1.786 -17.799 -5.563 1.00 0.00 C ATOM 1471 CD LYS A 95 1.255 -19.222 -5.556 1.00 0.00 C ATOM 1472 CE LYS A 95 0.754 -19.642 -6.930 1.00 0.00 C ATOM 1473 NZ LYS A 95 1.841 -19.631 -7.950 1.00 0.00 N ATOM 0 H LYS A 95 1.994 -15.060 -5.849 1.00 0.00 H new ATOM 0 HA LYS A 95 2.949 -15.638 -3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.169 -18.079 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 95 1.583 -17.532 -3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.984 -17.113 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.560 -17.704 -6.324 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.042 -19.903 -5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.444 -19.304 -4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.325 -20.642 -6.869 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.045 -18.971 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.531 -20.155 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.060 -18.649 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.692 -20.081 -7.556 1.00 0.00 H new ATOM 1487 N VAL A 96 4.601 -14.677 -5.308 1.00 0.00 N ATOM 1488 CA VAL A 96 5.920 -14.431 -5.905 1.00 0.00 C ATOM 1489 C VAL A 96 6.581 -13.217 -5.243 1.00 0.00 C ATOM 1490 O VAL A 96 6.084 -12.096 -5.352 1.00 0.00 O ATOM 1491 CB VAL A 96 5.827 -14.201 -7.439 1.00 0.00 C ATOM 1492 CG1 VAL A 96 7.213 -14.051 -8.058 1.00 0.00 C ATOM 1493 CG2 VAL A 96 5.069 -15.336 -8.116 1.00 0.00 C ATOM 0 H VAL A 96 3.970 -13.877 -5.346 1.00 0.00 H new ATOM 0 HA VAL A 96 6.526 -15.320 -5.734 1.00 0.00 H new ATOM 0 HB VAL A 96 5.277 -13.273 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.117 -13.891 -9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.722 -13.198 -7.609 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.792 -14.956 -7.876 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.018 -15.151 -9.189 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.586 -16.278 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.059 -15.393 -7.709 1.00 0.00 H new ATOM 1503 N ASP A 97 7.697 -13.457 -4.549 1.00 0.00 N ATOM 1504 CA ASP A 97 8.422 -12.392 -3.854 1.00 0.00 C ATOM 1505 C ASP A 97 9.399 -11.673 -4.793 1.00 0.00 C ATOM 1506 O ASP A 97 10.348 -12.277 -5.298 1.00 0.00 O ATOM 1507 CB ASP A 97 9.177 -12.979 -2.651 1.00 0.00 C ATOM 1508 CG ASP A 97 9.741 -11.921 -1.710 1.00 0.00 C ATOM 1509 OD1 ASP A 97 9.451 -10.720 -1.903 1.00 0.00 O ATOM 1510 OD2 ASP A 97 10.464 -12.301 -0.765 1.00 0.00 O ATOM 0 H ASP A 97 8.118 -14.381 -4.454 1.00 0.00 H new ATOM 0 HA ASP A 97 7.696 -11.657 -3.505 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.504 -13.629 -2.092 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.994 -13.603 -3.014 1.00 0.00 H new ATOM 1515 N VAL A 98 9.151 -10.375 -5.011 1.00 0.00 N ATOM 1516 CA VAL A 98 9.998 -9.545 -5.879 1.00 0.00 C ATOM 1517 C VAL A 98 10.415 -8.269 -5.143 1.00 0.00 C ATOM 1518 O VAL A 98 9.598 -7.653 -4.459 1.00 0.00 O ATOM 1519 CB VAL A 98 9.271 -9.149 -7.197 1.00 0.00 C ATOM 1520 CG1 VAL A 98 10.238 -8.501 -8.182 1.00 0.00 C ATOM 1521 CG2 VAL A 98 8.591 -10.352 -7.836 1.00 0.00 C ATOM 0 H VAL A 98 8.366 -9.874 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 98 10.875 -10.140 -6.134 1.00 0.00 H new ATOM 0 HB VAL A 98 8.502 -8.421 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 98 9.704 -8.234 -9.094 1.00 0.00 H new ATOM 0 HG12 VAL A 98 10.665 -7.603 -7.735 1.00 0.00 H new ATOM 0 HG13 VAL A 98 11.037 -9.202 -8.422 1.00 0.00 H new ATOM 0 HG21 VAL A 98 8.092 -10.043 -8.754 1.00 0.00 H new ATOM 0 HG22 VAL A 98 9.338 -11.112 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.856 -10.764 -7.145 1.00 0.00 H new ATOM 1531 N LYS A 99 11.684 -7.875 -5.288 1.00 0.00 N ATOM 1532 CA LYS A 99 12.199 -6.666 -4.635 1.00 0.00 C ATOM 1533 C LYS A 99 11.771 -5.402 -5.391 1.00 0.00 C ATOM 1534 O LYS A 99 11.269 -5.487 -6.515 1.00 0.00 O ATOM 1535 CB LYS A 99 13.736 -6.735 -4.490 1.00 0.00 C ATOM 1536 CG LYS A 99 14.502 -7.011 -5.783 1.00 0.00 C ATOM 1537 CD LYS A 99 14.871 -5.730 -6.525 1.00 0.00 C ATOM 1538 CE LYS A 99 15.650 -6.025 -7.798 1.00 0.00 C ATOM 1539 NZ LYS A 99 14.852 -6.826 -8.769 1.00 0.00 N ATOM 0 H LYS A 99 12.373 -8.374 -5.851 1.00 0.00 H new ATOM 0 HA LYS A 99 11.767 -6.613 -3.636 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.088 -5.791 -4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.982 -7.514 -3.768 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.410 -7.568 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.897 -7.643 -6.433 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.964 -5.178 -6.772 1.00 0.00 H new ATOM 0 HD3 LYS A 99 15.466 -5.090 -5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.952 -5.087 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.563 -6.565 -7.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.341 -6.847 -9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 14.744 -7.797 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 13.913 -6.394 -8.887 1.00 0.00 H new ATOM 1553 N THR A 100 11.969 -4.236 -4.765 1.00 0.00 N ATOM 1554 CA THR A 100 11.597 -2.955 -5.379 1.00 0.00 C ATOM 1555 C THR A 100 12.763 -2.357 -6.166 1.00 0.00 C ATOM 1556 O THR A 100 13.926 -2.512 -5.788 1.00 0.00 O ATOM 1557 CB THR A 100 11.131 -1.952 -4.313 1.00 0.00 C ATOM 1558 OG1 THR A 100 12.173 -1.677 -3.393 1.00 0.00 O ATOM 1559 CG2 THR A 100 9.933 -2.425 -3.517 1.00 0.00 C ATOM 0 H THR A 100 12.383 -4.152 -3.837 1.00 0.00 H new ATOM 0 HA THR A 100 10.775 -3.153 -6.067 1.00 0.00 H new ATOM 0 HB THR A 100 10.845 -1.060 -4.870 1.00 0.00 H new ATOM 0 HG1 THR A 100 11.857 -1.035 -2.723 1.00 0.00 H new ATOM 0 HG21 THR A 100 9.661 -1.666 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 100 9.093 -2.597 -4.191 1.00 0.00 H new ATOM 0 HG23 THR A 100 10.181 -3.353 -3.003 1.00 0.00 H new ATOM 1567 N ASP A 101 12.431 -1.663 -7.259 1.00 0.00 N ATOM 1568 CA ASP A 101 13.431 -1.020 -8.114 1.00 0.00 C ATOM 1569 C ASP A 101 13.494 0.480 -7.828 1.00 0.00 C ATOM 1570 O ASP A 101 12.831 0.966 -6.908 1.00 0.00 O ATOM 1571 CB ASP A 101 13.103 -1.267 -9.593 1.00 0.00 C ATOM 1572 CG ASP A 101 13.182 -2.735 -9.994 1.00 0.00 C ATOM 1573 OD1 ASP A 101 13.541 -3.579 -9.142 1.00 0.00 O ATOM 1574 OD2 ASP A 101 12.888 -3.040 -11.169 1.00 0.00 O ATOM 0 H ASP A 101 11.469 -1.532 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 101 14.406 -1.455 -7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 101 12.100 -0.894 -9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 101 13.792 -0.692 -10.211 1.00 0.00 H new ATOM 1579 N LYS A 102 14.295 1.210 -8.615 1.00 0.00 N ATOM 1580 CA LYS A 102 14.437 2.655 -8.432 1.00 0.00 C ATOM 1581 C LYS A 102 13.289 3.426 -9.088 1.00 0.00 C ATOM 1582 O LYS A 102 13.077 4.600 -8.782 1.00 0.00 O ATOM 1583 CB LYS A 102 15.809 3.145 -8.947 1.00 0.00 C ATOM 1584 CG LYS A 102 16.146 2.781 -10.398 1.00 0.00 C ATOM 1585 CD LYS A 102 15.606 3.790 -11.417 1.00 0.00 C ATOM 1586 CE LYS A 102 16.319 5.137 -11.360 1.00 0.00 C ATOM 1587 NZ LYS A 102 17.776 5.011 -11.642 1.00 0.00 N ATOM 0 H LYS A 102 14.850 0.824 -9.379 1.00 0.00 H new ATOM 0 HA LYS A 102 14.388 2.856 -7.362 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.848 4.230 -8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 102 16.586 2.737 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 102 17.228 2.710 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.738 1.795 -10.622 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.707 3.374 -12.420 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.541 3.941 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 102 15.868 5.817 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 102 16.178 5.580 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.173 5.951 -11.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 18.256 4.603 -10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.918 4.391 -12.465 1.00 0.00 H new ATOM 1601 N TRP A 103 12.548 2.756 -9.979 1.00 0.00 N ATOM 1602 CA TRP A 103 11.415 3.381 -10.671 1.00 0.00 C ATOM 1603 C TRP A 103 10.170 3.383 -9.783 1.00 0.00 C ATOM 1604 O TRP A 103 9.157 4.002 -10.119 1.00 0.00 O ATOM 1605 CB TRP A 103 11.106 2.652 -11.988 1.00 0.00 C ATOM 1606 CG TRP A 103 12.247 2.653 -12.965 1.00 0.00 C ATOM 1607 CD1 TRP A 103 13.256 1.737 -13.044 1.00 0.00 C ATOM 1608 CD2 TRP A 103 12.503 3.623 -13.991 1.00 0.00 C ATOM 1609 NE1 TRP A 103 14.124 2.076 -14.053 1.00 0.00 N ATOM 1610 CE2 TRP A 103 13.682 3.229 -14.650 1.00 0.00 C ATOM 1611 CE3 TRP A 103 11.849 4.785 -14.417 1.00 0.00 C ATOM 1612 CZ2 TRP A 103 14.223 3.955 -15.707 1.00 0.00 C ATOM 1613 CZ3 TRP A 103 12.387 5.504 -15.468 1.00 0.00 C ATOM 1614 CH2 TRP A 103 13.562 5.087 -16.103 1.00 0.00 C ATOM 0 H TRP A 103 12.712 1.783 -10.237 1.00 0.00 H new ATOM 0 HA TRP A 103 11.693 4.411 -10.895 1.00 0.00 H new ATOM 0 HB2 TRP A 103 10.832 1.621 -11.766 1.00 0.00 H new ATOM 0 HB3 TRP A 103 10.239 3.119 -12.456 1.00 0.00 H new ATOM 0 HD1 TRP A 103 13.357 0.872 -12.406 1.00 0.00 H new ATOM 0 HE1 TRP A 103 14.961 1.555 -14.316 1.00 0.00 H new ATOM 0 HE3 TRP A 103 10.941 5.114 -13.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 15.131 3.637 -16.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 11.892 6.403 -15.805 1.00 0.00 H new ATOM 0 HH2 TRP A 103 13.956 5.670 -16.922 1.00 0.00 H new ATOM 1625 N ASP A 104 10.260 2.679 -8.654 1.00 0.00 N ATOM 1626 CA ASP A 104 9.156 2.578 -7.704 1.00 0.00 C ATOM 1627 C ASP A 104 9.073 3.812 -6.804 1.00 0.00 C ATOM 1628 O ASP A 104 8.017 4.100 -6.236 1.00 0.00 O ATOM 1629 CB ASP A 104 9.325 1.313 -6.852 1.00 0.00 C ATOM 1630 CG ASP A 104 9.179 0.027 -7.655 1.00 0.00 C ATOM 1631 OD1 ASP A 104 8.895 0.101 -8.872 1.00 0.00 O ATOM 1632 OD2 ASP A 104 9.343 -1.057 -7.062 1.00 0.00 O ATOM 0 H ASP A 104 11.096 2.166 -8.375 1.00 0.00 H new ATOM 0 HA ASP A 104 8.226 2.519 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 104 10.307 1.329 -6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.585 1.320 -6.051 1.00 0.00 H new ATOM 1637 N PHE A 105 10.194 4.531 -6.672 1.00 0.00 N ATOM 1638 CA PHE A 105 10.251 5.731 -5.829 1.00 0.00 C ATOM 1639 C PHE A 105 10.792 6.930 -6.620 1.00 0.00 C ATOM 1640 O PHE A 105 11.508 7.777 -6.074 1.00 0.00 O ATOM 1641 CB PHE A 105 11.137 5.486 -4.589 1.00 0.00 C ATOM 1642 CG PHE A 105 10.869 4.195 -3.857 1.00 0.00 C ATOM 1643 CD1 PHE A 105 9.929 4.134 -2.838 1.00 0.00 C ATOM 1644 CD2 PHE A 105 11.561 3.038 -4.192 1.00 0.00 C ATOM 1645 CE1 PHE A 105 9.687 2.948 -2.171 1.00 0.00 C ATOM 1646 CE2 PHE A 105 11.323 1.854 -3.527 1.00 0.00 C ATOM 1647 CZ PHE A 105 10.385 1.808 -2.516 1.00 0.00 C ATOM 0 H PHE A 105 11.073 4.303 -7.137 1.00 0.00 H new ATOM 0 HA PHE A 105 9.236 5.954 -5.501 1.00 0.00 H new ATOM 0 HB2 PHE A 105 12.182 5.499 -4.900 1.00 0.00 H new ATOM 0 HB3 PHE A 105 11.000 6.315 -3.894 1.00 0.00 H new ATOM 0 HD1 PHE A 105 9.381 5.023 -2.563 1.00 0.00 H new ATOM 0 HD2 PHE A 105 12.295 3.066 -4.984 1.00 0.00 H new ATOM 0 HE1 PHE A 105 8.952 2.913 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 105 11.870 0.963 -3.797 1.00 0.00 H new ATOM 0 HZ PHE A 105 10.197 0.881 -1.995 1.00 0.00 H new ATOM 1657 N TYR A 106 10.452 6.991 -7.909 1.00 0.00 N ATOM 1658 CA TYR A 106 10.912 8.075 -8.781 1.00 0.00 C ATOM 1659 C TYR A 106 9.769 8.558 -9.682 1.00 0.00 C ATOM 1660 O TYR A 106 9.365 7.859 -10.615 1.00 0.00 O ATOM 1661 CB TYR A 106 12.108 7.575 -9.614 1.00 0.00 C ATOM 1662 CG TYR A 106 12.944 8.649 -10.295 1.00 0.00 C ATOM 1663 CD1 TYR A 106 13.375 9.789 -9.615 1.00 0.00 C ATOM 1664 CD2 TYR A 106 13.323 8.504 -11.625 1.00 0.00 C ATOM 1665 CE1 TYR A 106 14.144 10.744 -10.242 1.00 0.00 C ATOM 1666 CE2 TYR A 106 14.096 9.459 -12.257 1.00 0.00 C ATOM 1667 CZ TYR A 106 14.502 10.577 -11.562 1.00 0.00 C ATOM 1668 OH TYR A 106 15.272 11.529 -12.188 1.00 0.00 O ATOM 0 H TYR A 106 9.859 6.302 -8.373 1.00 0.00 H new ATOM 0 HA TYR A 106 11.233 8.924 -8.177 1.00 0.00 H new ATOM 0 HB2 TYR A 106 12.761 6.993 -8.963 1.00 0.00 H new ATOM 0 HB3 TYR A 106 11.733 6.895 -10.379 1.00 0.00 H new ATOM 0 HD1 TYR A 106 13.101 9.925 -8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 106 13.007 7.629 -12.174 1.00 0.00 H new ATOM 0 HE1 TYR A 106 14.466 11.621 -9.701 1.00 0.00 H new ATOM 0 HE2 TYR A 106 14.381 9.330 -13.291 1.00 0.00 H new ATOM 0 HH TYR A 106 15.436 11.259 -13.116 1.00 0.00 H new ATOM 1678 N CYS A 107 9.244 9.754 -9.381 1.00 0.00 N ATOM 1679 CA CYS A 107 8.134 10.331 -10.145 1.00 0.00 C ATOM 1680 C CYS A 107 8.554 11.586 -10.914 1.00 0.00 C ATOM 1681 O CYS A 107 7.765 12.521 -11.080 1.00 0.00 O ATOM 1682 CB CYS A 107 6.969 10.672 -9.214 1.00 0.00 C ATOM 1683 SG CYS A 107 6.135 9.232 -8.475 1.00 0.00 S ATOM 0 H CYS A 107 9.572 10.339 -8.613 1.00 0.00 H new ATOM 0 HA CYS A 107 7.822 9.580 -10.871 1.00 0.00 H new ATOM 0 HB2 CYS A 107 7.338 11.311 -8.412 1.00 0.00 H new ATOM 0 HB3 CYS A 107 6.234 11.253 -9.772 1.00 0.00 H new ATOM 1688 N GLN A 108 9.792 11.596 -11.385 1.00 0.00 N ATOM 1689 CA GLN A 108 10.320 12.723 -12.135 1.00 0.00 C ATOM 1690 C GLN A 108 10.439 12.374 -13.620 1.00 0.00 C ATOM 1691 O GLN A 108 11.014 11.309 -13.933 1.00 0.00 O ATOM 1692 CB GLN A 108 11.681 13.122 -11.558 1.00 0.00 C ATOM 1693 CG GLN A 108 12.331 14.306 -12.245 1.00 0.00 C ATOM 1694 CD GLN A 108 11.574 15.605 -12.038 1.00 0.00 C ATOM 1695 OE1 GLN A 108 11.378 16.052 -10.907 1.00 0.00 O ATOM 1696 NE2 GLN A 108 11.143 16.218 -13.134 1.00 0.00 N ATOM 1697 OXT GLN A 108 9.951 13.166 -14.454 1.00 0.00 O ATOM 0 H GLN A 108 10.453 10.830 -11.259 1.00 0.00 H new ATOM 0 HA GLN A 108 9.635 13.566 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 108 11.559 13.354 -10.500 1.00 0.00 H new ATOM 0 HB3 GLN A 108 12.354 12.267 -11.622 1.00 0.00 H new ATOM 0 HG2 GLN A 108 13.348 14.422 -11.871 1.00 0.00 H new ATOM 0 HG3 GLN A 108 12.406 14.102 -13.313 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.328 15.812 -14.051 1.00 0.00 H new ATOM 0 HE22 GLN A 108 10.627 17.095 -13.059 1.00 0.00 H new TER 1706 GLN A 108