USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ 179:sc= 0.771 (180deg=-0.127) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0.794 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 130:sc= 0.0993 (180deg=-0.0235) USER MOD Single : A 3 SER OG : rot 7:sc= 0.881 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -128:sc= 1.3 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.453) USER MOD Single : A 23 TYR OH : rot -38:sc= 0.644 USER MOD Single : A 26 LYS NZ :NH3+ -118:sc= 1.2 (180deg=0.301) USER MOD Single : A 29 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1.6) USER MOD Single : A 31 HIS : no HD1:sc= -2.57 X(o=-2.6,f=-2.6!) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.2) USER MOD Single : A 35 ASN : amide:sc= -2.11 K(o=-2.1,f=-4!) USER MOD Single : A 38 ASN : amide:sc=-0.00497 K(o=-0.005,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 154:sc= 1.25 (180deg=1.08) USER MOD Single : A 44 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00367) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= -0.0909 (180deg=-0.501) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 95:sc= 1.25 USER MOD Single : A 59 LYS NZ :NH3+ 175:sc= 0.567 (180deg=0.52) USER MOD Single : A 60 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5!) USER MOD Single : A 61 LYS NZ :NH3+ 172:sc= 1.08 (180deg=1.04) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.781 4.435 12.578 1.00 0.00 N ATOM 2 CA MET A 1 -12.377 3.992 12.391 1.00 0.00 C ATOM 3 C MET A 1 -12.052 3.879 10.907 1.00 0.00 C ATOM 4 O MET A 1 -12.951 3.823 10.071 1.00 0.00 O ATOM 5 CB MET A 1 -12.144 2.642 13.080 1.00 0.00 C ATOM 6 CG MET A 1 -12.933 1.493 12.473 1.00 0.00 C ATOM 7 SD MET A 1 -12.601 -0.077 13.292 1.00 0.00 S ATOM 8 CE MET A 1 -13.588 -1.191 12.294 1.00 0.00 C ATOM 0 H1 MET A 1 -14.258 3.803 13.252 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.792 5.407 12.948 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.279 4.406 11.665 1.00 0.00 H new ATOM 0 HA MET A 1 -11.719 4.735 12.843 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.082 2.402 13.037 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.407 2.733 14.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.998 1.714 12.536 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.687 1.407 11.415 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.488 -2.207 12.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.634 -0.888 12.338 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.243 -1.156 11.261 1.00 0.00 H new ATOM 20 N ALA A 2 -10.765 3.849 10.582 1.00 0.00 N ATOM 21 CA ALA A 2 -10.338 3.729 9.194 1.00 0.00 C ATOM 22 C ALA A 2 -9.108 2.844 9.075 1.00 0.00 C ATOM 23 O ALA A 2 -9.051 1.960 8.229 1.00 0.00 O ATOM 24 CB ALA A 2 -10.063 5.097 8.585 1.00 0.00 C ATOM 0 H ALA A 2 -10.003 3.906 11.257 1.00 0.00 H new ATOM 0 HA ALA A 2 -11.153 3.263 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.746 4.977 7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.971 5.700 8.619 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.275 5.595 9.150 1.00 0.00 H new ATOM 30 N SER A 3 -8.119 3.122 9.930 1.00 0.00 N ATOM 31 CA SER A 3 -6.877 2.339 10.052 1.00 0.00 C ATOM 32 C SER A 3 -6.067 2.253 8.749 1.00 0.00 C ATOM 33 O SER A 3 -4.999 1.642 8.724 1.00 0.00 O ATOM 34 CB SER A 3 -7.158 0.930 10.608 1.00 0.00 C ATOM 35 OG SER A 3 -8.019 0.176 9.764 1.00 0.00 O ATOM 0 H SER A 3 -8.157 3.914 10.572 1.00 0.00 H new ATOM 0 HA SER A 3 -6.256 2.886 10.762 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.216 0.396 10.731 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.607 1.016 11.597 1.00 0.00 H new ATOM 0 HG SER A 3 -8.177 0.670 8.933 1.00 0.00 H new ATOM 41 N TYR A 4 -6.548 2.886 7.684 1.00 0.00 N ATOM 42 CA TYR A 4 -5.875 2.829 6.388 1.00 0.00 C ATOM 43 C TYR A 4 -4.554 3.582 6.427 1.00 0.00 C ATOM 44 O TYR A 4 -3.626 3.275 5.686 1.00 0.00 O ATOM 45 CB TYR A 4 -6.785 3.380 5.288 1.00 0.00 C ATOM 46 CG TYR A 4 -8.093 2.631 5.184 1.00 0.00 C ATOM 47 CD1 TYR A 4 -8.110 1.258 4.974 1.00 0.00 C ATOM 48 CD2 TYR A 4 -9.310 3.288 5.324 1.00 0.00 C ATOM 49 CE1 TYR A 4 -9.301 0.561 4.899 1.00 0.00 C ATOM 50 CE2 TYR A 4 -10.505 2.596 5.257 1.00 0.00 C ATOM 51 CZ TYR A 4 -10.495 1.233 5.044 1.00 0.00 C ATOM 52 OH TYR A 4 -11.682 0.540 4.985 1.00 0.00 O ATOM 0 H TYR A 4 -7.401 3.445 7.691 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.657 1.785 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -6.988 4.433 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -6.264 3.328 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -7.176 0.726 4.867 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -9.322 4.355 5.488 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -9.296 -0.505 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -11.442 3.120 5.371 1.00 0.00 H new ATOM 0 HH TYR A 4 -12.430 1.161 5.107 1.00 0.00 H new ATOM 62 N TYR A 5 -4.477 4.567 7.308 1.00 0.00 N ATOM 63 CA TYR A 5 -3.234 5.284 7.545 1.00 0.00 C ATOM 64 C TYR A 5 -2.200 4.363 8.185 1.00 0.00 C ATOM 65 O TYR A 5 -1.003 4.500 7.950 1.00 0.00 O ATOM 66 CB TYR A 5 -3.484 6.515 8.428 1.00 0.00 C ATOM 67 CG TYR A 5 -4.611 6.335 9.417 1.00 0.00 C ATOM 68 CD1 TYR A 5 -4.391 5.770 10.665 1.00 0.00 C ATOM 69 CD2 TYR A 5 -5.902 6.724 9.092 1.00 0.00 C ATOM 70 CE1 TYR A 5 -5.428 5.594 11.559 1.00 0.00 C ATOM 71 CE2 TYR A 5 -6.944 6.556 9.980 1.00 0.00 C ATOM 72 CZ TYR A 5 -6.701 5.990 11.212 1.00 0.00 C ATOM 73 OH TYR A 5 -7.741 5.809 12.094 1.00 0.00 O ATOM 0 H TYR A 5 -5.263 4.889 7.872 1.00 0.00 H new ATOM 0 HA TYR A 5 -2.842 5.624 6.586 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.570 6.752 8.972 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.706 7.370 7.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.393 5.463 10.941 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.095 7.167 8.126 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.242 5.148 12.525 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -7.943 6.866 9.711 1.00 0.00 H new ATOM 0 HH TYR A 5 -8.571 6.143 11.694 1.00 0.00 H new ATOM 83 N GLU A 6 -2.676 3.426 8.998 1.00 0.00 N ATOM 84 CA GLU A 6 -1.804 2.451 9.638 1.00 0.00 C ATOM 85 C GLU A 6 -1.329 1.398 8.639 1.00 0.00 C ATOM 86 O GLU A 6 -0.154 1.031 8.622 1.00 0.00 O ATOM 87 CB GLU A 6 -2.529 1.781 10.802 1.00 0.00 C ATOM 88 CG GLU A 6 -2.878 2.748 11.916 1.00 0.00 C ATOM 89 CD GLU A 6 -3.813 2.142 12.939 1.00 0.00 C ATOM 90 OE1 GLU A 6 -5.044 2.218 12.744 1.00 0.00 O ATOM 91 OE2 GLU A 6 -3.322 1.595 13.946 1.00 0.00 O ATOM 0 H GLU A 6 -3.664 3.322 9.229 1.00 0.00 H new ATOM 0 HA GLU A 6 -0.929 2.978 10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.443 1.314 10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.903 0.984 11.203 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.963 3.071 12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.340 3.638 11.489 1.00 0.00 H new ATOM 98 N ILE A 7 -2.253 0.913 7.812 1.00 0.00 N ATOM 99 CA ILE A 7 -1.938 -0.135 6.848 1.00 0.00 C ATOM 100 C ILE A 7 -1.067 0.388 5.706 1.00 0.00 C ATOM 101 O ILE A 7 -0.226 -0.341 5.176 1.00 0.00 O ATOM 102 CB ILE A 7 -3.218 -0.819 6.288 1.00 0.00 C ATOM 103 CG1 ILE A 7 -4.092 0.149 5.477 1.00 0.00 C ATOM 104 CG2 ILE A 7 -4.036 -1.415 7.423 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.802 0.155 3.987 1.00 0.00 C ATOM 0 H ILE A 7 -3.223 1.229 7.791 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.368 -0.890 7.390 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.887 -1.609 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.139 -0.111 5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.954 1.158 5.866 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.929 -1.891 7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.438 -2.157 7.952 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.328 -0.625 8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.463 0.865 3.491 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.765 0.446 3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.969 -0.842 3.580 1.00 0.00 H new ATOM 117 N LEU A 8 -1.264 1.647 5.330 1.00 0.00 N ATOM 118 CA LEU A 8 -0.518 2.227 4.227 1.00 0.00 C ATOM 119 C LEU A 8 0.645 3.068 4.738 1.00 0.00 C ATOM 120 O LEU A 8 1.786 2.609 4.761 1.00 0.00 O ATOM 121 CB LEU A 8 -1.437 3.079 3.346 1.00 0.00 C ATOM 122 CG LEU A 8 -0.761 3.738 2.145 1.00 0.00 C ATOM 123 CD1 LEU A 8 -0.302 2.686 1.147 1.00 0.00 C ATOM 124 CD2 LEU A 8 -1.703 4.731 1.487 1.00 0.00 C ATOM 0 H LEU A 8 -1.931 2.280 5.772 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.115 1.410 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.251 2.451 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.885 3.858 3.963 1.00 0.00 H new ATOM 0 HG LEU A 8 0.118 4.280 2.495 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.177 3.174 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.409 2.014 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.163 2.115 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.207 5.192 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.600 4.212 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.979 5.502 2.206 1.00 0.00 H new ATOM 136 N ASP A 9 0.340 4.293 5.163 1.00 0.00 N ATOM 137 CA ASP A 9 1.362 5.241 5.597 1.00 0.00 C ATOM 138 C ASP A 9 0.726 6.576 5.938 1.00 0.00 C ATOM 139 O ASP A 9 1.077 7.212 6.930 1.00 0.00 O ATOM 140 CB ASP A 9 2.401 5.451 4.493 1.00 0.00 C ATOM 141 CG ASP A 9 3.634 6.185 4.977 1.00 0.00 C ATOM 142 OD1 ASP A 9 3.632 7.429 4.985 1.00 0.00 O ATOM 143 OD2 ASP A 9 4.625 5.512 5.332 1.00 0.00 O ATOM 0 H ASP A 9 -0.613 4.653 5.216 1.00 0.00 H new ATOM 0 HA ASP A 9 1.852 4.832 6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.696 4.482 4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.947 6.012 3.676 1.00 0.00 H new ATOM 148 N VAL A 10 -0.227 6.981 5.114 1.00 0.00 N ATOM 149 CA VAL A 10 -0.856 8.289 5.251 1.00 0.00 C ATOM 150 C VAL A 10 -2.368 8.160 5.412 1.00 0.00 C ATOM 151 O VAL A 10 -2.972 7.191 4.945 1.00 0.00 O ATOM 152 CB VAL A 10 -0.546 9.199 4.039 1.00 0.00 C ATOM 153 CG1 VAL A 10 0.940 9.516 3.974 1.00 0.00 C ATOM 154 CG2 VAL A 10 -1.009 8.561 2.738 1.00 0.00 C ATOM 0 H VAL A 10 -0.584 6.422 4.340 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.439 8.746 6.148 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.096 10.130 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.138 10.157 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.243 10.029 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.506 8.590 3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.777 9.224 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.497 7.609 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.085 8.392 2.779 1.00 0.00 H new ATOM 164 N PRO A 11 -2.990 9.130 6.107 1.00 0.00 N ATOM 165 CA PRO A 11 -4.442 9.170 6.303 1.00 0.00 C ATOM 166 C PRO A 11 -5.196 9.355 4.988 1.00 0.00 C ATOM 167 O PRO A 11 -4.697 9.976 4.052 1.00 0.00 O ATOM 168 CB PRO A 11 -4.653 10.380 7.222 1.00 0.00 C ATOM 169 CG PRO A 11 -3.427 11.211 7.068 1.00 0.00 C ATOM 170 CD PRO A 11 -2.311 10.254 6.772 1.00 0.00 C ATOM 0 HA PRO A 11 -4.822 8.238 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.545 10.939 6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.789 10.068 8.258 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.545 11.934 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -3.224 11.778 7.976 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.556 10.705 6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.804 9.935 7.682 1.00 0.00 H new ATOM 178 N ARG A 12 -6.421 8.836 4.940 1.00 0.00 N ATOM 179 CA ARG A 12 -7.191 8.785 3.699 1.00 0.00 C ATOM 180 C ARG A 12 -7.714 10.154 3.290 1.00 0.00 C ATOM 181 O ARG A 12 -8.175 10.341 2.167 1.00 0.00 O ATOM 182 CB ARG A 12 -8.362 7.820 3.824 1.00 0.00 C ATOM 183 CG ARG A 12 -9.308 8.124 4.972 1.00 0.00 C ATOM 184 CD ARG A 12 -10.518 7.208 4.937 1.00 0.00 C ATOM 185 NE ARG A 12 -11.499 7.543 5.968 1.00 0.00 N ATOM 186 CZ ARG A 12 -12.754 7.094 5.972 1.00 0.00 C ATOM 187 NH1 ARG A 12 -13.203 6.358 4.959 1.00 0.00 N ATOM 188 NH2 ARG A 12 -13.567 7.408 6.972 1.00 0.00 N ATOM 0 H ARG A 12 -6.903 8.444 5.749 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.507 8.434 2.926 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.927 7.831 2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.972 6.810 3.949 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.785 8.005 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.632 9.163 4.915 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.990 7.270 3.956 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.193 6.176 5.070 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.206 8.156 6.729 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.587 6.136 4.177 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.164 6.015 4.964 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.232 7.993 7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.527 7.065 6.975 1.00 0.00 H new ATOM 202 N SER A 13 -7.679 11.089 4.220 1.00 0.00 N ATOM 203 CA SER A 13 -8.031 12.475 3.935 1.00 0.00 C ATOM 204 C SER A 13 -7.078 13.080 2.899 1.00 0.00 C ATOM 205 O SER A 13 -7.393 14.085 2.258 1.00 0.00 O ATOM 206 CB SER A 13 -8.017 13.293 5.227 1.00 0.00 C ATOM 207 OG SER A 13 -8.991 12.806 6.142 1.00 0.00 O ATOM 0 H SER A 13 -7.409 10.916 5.188 1.00 0.00 H new ATOM 0 HA SER A 13 -9.037 12.499 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.028 13.246 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.215 14.341 5.002 1.00 0.00 H new ATOM 0 HG SER A 13 -8.965 13.341 6.963 1.00 0.00 H new ATOM 213 N ALA A 14 -5.922 12.451 2.732 1.00 0.00 N ATOM 214 CA ALA A 14 -4.985 12.830 1.688 1.00 0.00 C ATOM 215 C ALA A 14 -5.518 12.373 0.336 1.00 0.00 C ATOM 216 O ALA A 14 -6.193 11.347 0.245 1.00 0.00 O ATOM 217 CB ALA A 14 -3.617 12.223 1.962 1.00 0.00 C ATOM 0 H ALA A 14 -5.611 11.671 3.311 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.877 13.915 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.925 12.515 1.172 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.245 12.582 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.700 11.136 1.989 1.00 0.00 H new ATOM 223 N SER A 15 -5.248 13.149 -0.701 1.00 0.00 N ATOM 224 CA SER A 15 -5.762 12.843 -2.027 1.00 0.00 C ATOM 225 C SER A 15 -5.143 11.552 -2.554 1.00 0.00 C ATOM 226 O SER A 15 -4.107 11.114 -2.053 1.00 0.00 O ATOM 227 CB SER A 15 -5.478 14.003 -2.988 1.00 0.00 C ATOM 228 OG SER A 15 -6.084 13.788 -4.253 1.00 0.00 O ATOM 0 H SER A 15 -4.678 13.993 -0.651 1.00 0.00 H new ATOM 0 HA SER A 15 -6.841 12.705 -1.958 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.850 14.933 -2.558 1.00 0.00 H new ATOM 0 HB3 SER A 15 -4.401 14.118 -3.114 1.00 0.00 H new ATOM 0 HG SER A 15 -5.414 13.897 -4.960 1.00 0.00 H new ATOM 234 N ALA A 16 -5.770 10.949 -3.559 1.00 0.00 N ATOM 235 CA ALA A 16 -5.261 9.712 -4.156 1.00 0.00 C ATOM 236 C ALA A 16 -3.799 9.873 -4.565 1.00 0.00 C ATOM 237 O ALA A 16 -2.998 8.942 -4.453 1.00 0.00 O ATOM 238 CB ALA A 16 -6.106 9.321 -5.359 1.00 0.00 C ATOM 0 H ALA A 16 -6.632 11.295 -3.980 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.324 8.919 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.717 8.400 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.138 9.166 -5.044 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.070 10.117 -6.103 1.00 0.00 H new ATOM 244 N ASP A 17 -3.463 11.081 -5.000 1.00 0.00 N ATOM 245 CA ASP A 17 -2.102 11.425 -5.396 1.00 0.00 C ATOM 246 C ASP A 17 -1.149 11.252 -4.224 1.00 0.00 C ATOM 247 O ASP A 17 -0.047 10.738 -4.377 1.00 0.00 O ATOM 248 CB ASP A 17 -2.036 12.876 -5.863 1.00 0.00 C ATOM 249 CG ASP A 17 -3.188 13.261 -6.766 1.00 0.00 C ATOM 250 OD1 ASP A 17 -4.291 13.542 -6.237 1.00 0.00 O ATOM 251 OD2 ASP A 17 -3.003 13.298 -7.999 1.00 0.00 O ATOM 0 H ASP A 17 -4.126 11.851 -5.088 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.811 10.760 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.029 13.532 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.097 13.039 -6.392 1.00 0.00 H new ATOM 256 N ASP A 18 -1.593 11.682 -3.048 1.00 0.00 N ATOM 257 CA ASP A 18 -0.777 11.619 -1.842 1.00 0.00 C ATOM 258 C ASP A 18 -0.564 10.174 -1.418 1.00 0.00 C ATOM 259 O ASP A 18 0.534 9.790 -1.019 1.00 0.00 O ATOM 260 CB ASP A 18 -1.439 12.406 -0.709 1.00 0.00 C ATOM 261 CG ASP A 18 -1.580 13.883 -1.024 1.00 0.00 C ATOM 262 OD1 ASP A 18 -0.651 14.658 -0.707 1.00 0.00 O ATOM 263 OD2 ASP A 18 -2.613 14.278 -1.603 1.00 0.00 O ATOM 0 H ASP A 18 -2.521 12.081 -2.905 1.00 0.00 H new ATOM 0 HA ASP A 18 0.193 12.066 -2.060 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.425 11.986 -0.509 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.851 12.288 0.201 1.00 0.00 H new ATOM 268 N ILE A 19 -1.622 9.376 -1.513 1.00 0.00 N ATOM 269 CA ILE A 19 -1.526 7.943 -1.256 1.00 0.00 C ATOM 270 C ILE A 19 -0.548 7.302 -2.239 1.00 0.00 C ATOM 271 O ILE A 19 0.291 6.477 -1.860 1.00 0.00 O ATOM 272 CB ILE A 19 -2.915 7.257 -1.353 1.00 0.00 C ATOM 273 CG1 ILE A 19 -3.691 7.430 -0.047 1.00 0.00 C ATOM 274 CG2 ILE A 19 -2.797 5.783 -1.710 1.00 0.00 C ATOM 275 CD1 ILE A 19 -4.309 8.794 0.107 1.00 0.00 C ATOM 0 H ILE A 19 -2.556 9.697 -1.766 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.157 7.804 -0.240 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.464 7.746 -2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.477 6.676 0.002 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.020 7.247 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.792 5.342 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.299 5.681 -2.674 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.216 5.269 -0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.844 8.846 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.526 9.552 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.005 8.973 -0.712 1.00 0.00 H new ATOM 287 N LYS A 20 -0.651 7.711 -3.496 1.00 0.00 N ATOM 288 CA LYS A 20 0.253 7.255 -4.540 1.00 0.00 C ATOM 289 C LYS A 20 1.693 7.676 -4.222 1.00 0.00 C ATOM 290 O LYS A 20 2.634 6.909 -4.422 1.00 0.00 O ATOM 291 CB LYS A 20 -0.182 7.836 -5.886 1.00 0.00 C ATOM 292 CG LYS A 20 0.432 7.143 -7.091 1.00 0.00 C ATOM 293 CD LYS A 20 0.020 7.829 -8.380 1.00 0.00 C ATOM 294 CE LYS A 20 0.473 7.047 -9.601 1.00 0.00 C ATOM 295 NZ LYS A 20 -0.263 5.760 -9.747 1.00 0.00 N ATOM 0 H LYS A 20 -1.362 8.367 -3.819 1.00 0.00 H new ATOM 0 HA LYS A 20 0.216 6.167 -4.591 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.268 7.777 -5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.082 8.893 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.518 7.148 -7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.119 6.099 -7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.064 7.942 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.446 8.832 -8.411 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.324 7.653 -10.495 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.542 6.846 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.066 5.267 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.087 5.163 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.282 5.950 -9.827 1.00 0.00 H new ATOM 309 N LYS A 21 1.846 8.906 -3.725 1.00 0.00 N ATOM 310 CA LYS A 21 3.147 9.430 -3.310 1.00 0.00 C ATOM 311 C LYS A 21 3.726 8.627 -2.153 1.00 0.00 C ATOM 312 O LYS A 21 4.925 8.353 -2.121 1.00 0.00 O ATOM 313 CB LYS A 21 3.028 10.902 -2.905 1.00 0.00 C ATOM 314 CG LYS A 21 2.856 11.860 -4.076 1.00 0.00 C ATOM 315 CD LYS A 21 4.183 12.200 -4.744 1.00 0.00 C ATOM 316 CE LYS A 21 4.728 11.065 -5.595 1.00 0.00 C ATOM 317 NZ LYS A 21 5.950 11.480 -6.333 1.00 0.00 N ATOM 0 H LYS A 21 1.075 9.562 -3.600 1.00 0.00 H new ATOM 0 HA LYS A 21 3.822 9.343 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.179 11.014 -2.231 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.919 11.186 -2.345 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.185 11.415 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.382 12.777 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.053 13.084 -5.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 4.914 12.455 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 21 4.958 10.210 -4.960 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.966 10.741 -6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.039 10.916 -7.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.881 12.488 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.786 11.327 -5.734 1.00 0.00 H new ATOM 331 N ALA A 22 2.875 8.260 -1.204 1.00 0.00 N ATOM 332 CA ALA A 22 3.297 7.442 -0.075 1.00 0.00 C ATOM 333 C ALA A 22 3.833 6.103 -0.565 1.00 0.00 C ATOM 334 O ALA A 22 4.895 5.646 -0.135 1.00 0.00 O ATOM 335 CB ALA A 22 2.141 7.232 0.891 1.00 0.00 C ATOM 0 H ALA A 22 1.888 8.516 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 22 4.095 7.963 0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.474 6.619 1.729 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.797 8.197 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.323 6.729 0.375 1.00 0.00 H new ATOM 341 N TYR A 23 3.093 5.490 -1.481 1.00 0.00 N ATOM 342 CA TYR A 23 3.509 4.242 -2.099 1.00 0.00 C ATOM 343 C TYR A 23 4.814 4.427 -2.869 1.00 0.00 C ATOM 344 O TYR A 23 5.748 3.643 -2.712 1.00 0.00 O ATOM 345 CB TYR A 23 2.393 3.717 -3.010 1.00 0.00 C ATOM 346 CG TYR A 23 2.868 2.855 -4.162 1.00 0.00 C ATOM 347 CD1 TYR A 23 3.242 1.531 -3.970 1.00 0.00 C ATOM 348 CD2 TYR A 23 2.936 3.375 -5.448 1.00 0.00 C ATOM 349 CE1 TYR A 23 3.669 0.750 -5.027 1.00 0.00 C ATOM 350 CE2 TYR A 23 3.360 2.600 -6.511 1.00 0.00 C ATOM 351 CZ TYR A 23 3.726 1.287 -6.295 1.00 0.00 C ATOM 352 OH TYR A 23 4.147 0.509 -7.351 1.00 0.00 O ATOM 0 H TYR A 23 2.195 5.842 -1.813 1.00 0.00 H new ATOM 0 HA TYR A 23 3.693 3.503 -1.319 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.692 3.140 -2.407 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.842 4.567 -3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.198 1.105 -2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.653 4.403 -5.620 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.957 -0.277 -4.860 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.405 3.020 -7.505 1.00 0.00 H new ATOM 0 HH TYR A 23 4.877 -0.075 -7.057 1.00 0.00 H new ATOM 362 N ARG A 24 4.873 5.466 -3.694 1.00 0.00 N ATOM 363 CA ARG A 24 6.059 5.772 -4.463 1.00 0.00 C ATOM 364 C ARG A 24 7.276 6.001 -3.577 1.00 0.00 C ATOM 365 O ARG A 24 8.382 5.582 -3.911 1.00 0.00 O ATOM 366 CB ARG A 24 5.790 6.990 -5.329 1.00 0.00 C ATOM 367 CG ARG A 24 5.964 6.684 -6.791 1.00 0.00 C ATOM 368 CD ARG A 24 5.859 7.923 -7.650 1.00 0.00 C ATOM 369 NE ARG A 24 6.514 7.720 -8.937 1.00 0.00 N ATOM 370 CZ ARG A 24 5.916 7.842 -10.119 1.00 0.00 C ATOM 371 NH1 ARG A 24 4.669 8.284 -10.207 1.00 0.00 N ATOM 372 NH2 ARG A 24 6.587 7.539 -11.221 1.00 0.00 N ATOM 0 H ARG A 24 4.100 6.114 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 24 6.289 4.913 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.776 7.346 -5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.466 7.796 -5.043 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.935 6.215 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.208 5.963 -7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.810 8.174 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.315 8.768 -7.134 1.00 0.00 H new ATOM 0 HE ARG A 24 7.502 7.466 -8.930 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.156 8.535 -9.362 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.223 8.373 -11.120 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.552 7.216 -11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.138 7.629 -12.132 1.00 0.00 H new ATOM 386 N ARG A 25 7.070 6.660 -2.451 1.00 0.00 N ATOM 387 CA ARG A 25 8.149 6.894 -1.502 1.00 0.00 C ATOM 388 C ARG A 25 8.724 5.577 -0.993 1.00 0.00 C ATOM 389 O ARG A 25 9.938 5.414 -0.925 1.00 0.00 O ATOM 390 CB ARG A 25 7.650 7.747 -0.333 1.00 0.00 C ATOM 391 CG ARG A 25 8.521 7.653 0.903 1.00 0.00 C ATOM 392 CD ARG A 25 7.926 8.426 2.065 1.00 0.00 C ATOM 393 NE ARG A 25 8.578 8.084 3.324 1.00 0.00 N ATOM 394 CZ ARG A 25 7.939 7.556 4.367 1.00 0.00 C ATOM 395 NH1 ARG A 25 6.628 7.356 4.307 1.00 0.00 N ATOM 396 NH2 ARG A 25 8.604 7.252 5.471 1.00 0.00 N ATOM 0 H ARG A 25 6.168 7.043 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 25 8.945 7.433 -2.016 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.597 8.788 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.636 7.440 -0.077 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.642 6.607 1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.515 8.040 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.026 9.496 1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.859 8.213 2.137 1.00 0.00 H new ATOM 0 HE ARG A 25 9.579 8.259 3.411 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.112 7.606 3.464 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.137 6.952 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.608 7.422 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.112 6.848 6.268 1.00 0.00 H new ATOM 410 N LYS A 26 7.850 4.635 -0.661 1.00 0.00 N ATOM 411 CA LYS A 26 8.286 3.310 -0.214 1.00 0.00 C ATOM 412 C LYS A 26 8.939 2.569 -1.359 1.00 0.00 C ATOM 413 O LYS A 26 9.906 1.834 -1.174 1.00 0.00 O ATOM 414 CB LYS A 26 7.108 2.496 0.303 1.00 0.00 C ATOM 415 CG LYS A 26 6.299 3.231 1.340 1.00 0.00 C ATOM 416 CD LYS A 26 5.136 2.398 1.835 1.00 0.00 C ATOM 417 CE LYS A 26 4.405 3.093 2.969 1.00 0.00 C ATOM 418 NZ LYS A 26 5.240 3.173 4.196 1.00 0.00 N ATOM 0 H LYS A 26 6.838 4.759 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 26 9.003 3.445 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.462 2.230 -0.533 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.477 1.564 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.940 3.497 2.180 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.925 4.163 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.444 2.211 1.014 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.499 1.428 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.121 4.098 2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.483 2.555 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.778 2.647 4.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.175 2.760 4.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.351 4.168 4.476 1.00 0.00 H new ATOM 432 N ALA A 27 8.386 2.768 -2.541 1.00 0.00 N ATOM 433 CA ALA A 27 8.941 2.188 -3.757 1.00 0.00 C ATOM 434 C ALA A 27 10.404 2.582 -3.923 1.00 0.00 C ATOM 435 O ALA A 27 11.251 1.739 -4.200 1.00 0.00 O ATOM 436 CB ALA A 27 8.133 2.621 -4.970 1.00 0.00 C ATOM 0 H ALA A 27 7.548 3.330 -2.689 1.00 0.00 H new ATOM 0 HA ALA A 27 8.886 1.103 -3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.561 2.179 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.101 2.288 -4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.156 3.708 -5.054 1.00 0.00 H new ATOM 442 N LEU A 28 10.691 3.869 -3.753 1.00 0.00 N ATOM 443 CA LEU A 28 12.065 4.367 -3.808 1.00 0.00 C ATOM 444 C LEU A 28 12.854 3.938 -2.572 1.00 0.00 C ATOM 445 O LEU A 28 14.048 3.652 -2.650 1.00 0.00 O ATOM 446 CB LEU A 28 12.092 5.893 -3.952 1.00 0.00 C ATOM 447 CG LEU A 28 12.028 6.425 -5.388 1.00 0.00 C ATOM 448 CD1 LEU A 28 13.098 5.775 -6.254 1.00 0.00 C ATOM 449 CD2 LEU A 28 10.644 6.211 -5.978 1.00 0.00 C ATOM 0 H LEU A 28 9.990 4.589 -3.576 1.00 0.00 H new ATOM 0 HA LEU A 28 12.539 3.930 -4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.253 6.307 -3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.003 6.268 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 28 12.223 7.497 -5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 28 13.033 6.168 -7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 28 14.083 5.995 -5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 28 12.945 4.696 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 28 10.620 6.596 -6.998 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.413 5.146 -5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 28 9.905 6.738 -5.374 1.00 0.00 H new ATOM 461 N GLN A 29 12.169 3.902 -1.439 1.00 0.00 N ATOM 462 CA GLN A 29 12.770 3.547 -0.155 1.00 0.00 C ATOM 463 C GLN A 29 13.312 2.112 -0.184 1.00 0.00 C ATOM 464 O GLN A 29 14.376 1.826 0.366 1.00 0.00 O ATOM 465 CB GLN A 29 11.706 3.698 0.936 1.00 0.00 C ATOM 466 CG GLN A 29 12.229 3.666 2.359 1.00 0.00 C ATOM 467 CD GLN A 29 11.108 3.823 3.372 1.00 0.00 C ATOM 468 OE1 GLN A 29 9.976 3.406 3.135 1.00 0.00 O ATOM 469 NE2 GLN A 29 11.406 4.443 4.499 1.00 0.00 N ATOM 0 H GLN A 29 11.174 4.119 -1.381 1.00 0.00 H new ATOM 0 HA GLN A 29 13.610 4.210 0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 29 11.181 4.640 0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.972 2.901 0.818 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.749 2.724 2.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.959 4.464 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.356 4.776 4.662 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.686 4.589 5.207 1.00 0.00 H new ATOM 478 N TRP A 30 12.572 1.226 -0.837 1.00 0.00 N ATOM 479 CA TRP A 30 12.973 -0.170 -0.985 1.00 0.00 C ATOM 480 C TRP A 30 13.366 -0.485 -2.424 1.00 0.00 C ATOM 481 O TRP A 30 13.363 -1.644 -2.840 1.00 0.00 O ATOM 482 CB TRP A 30 11.860 -1.112 -0.523 1.00 0.00 C ATOM 483 CG TRP A 30 11.835 -1.318 0.963 1.00 0.00 C ATOM 484 CD1 TRP A 30 12.696 -2.086 1.690 1.00 0.00 C ATOM 485 CD2 TRP A 30 10.904 -0.767 1.898 1.00 0.00 C ATOM 486 NE1 TRP A 30 12.361 -2.046 3.019 1.00 0.00 N ATOM 487 CE2 TRP A 30 11.263 -1.244 3.174 1.00 0.00 C ATOM 488 CE3 TRP A 30 9.804 0.085 1.784 1.00 0.00 C ATOM 489 CZ2 TRP A 30 10.558 -0.896 4.325 1.00 0.00 C ATOM 490 CZ3 TRP A 30 9.102 0.425 2.925 1.00 0.00 C ATOM 491 CH2 TRP A 30 9.483 -0.063 4.181 1.00 0.00 C ATOM 0 H TRP A 30 11.680 1.451 -1.278 1.00 0.00 H new ATOM 0 HA TRP A 30 13.846 -0.327 -0.351 1.00 0.00 H new ATOM 0 HB2 TRP A 30 10.898 -0.711 -0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 30 11.983 -2.077 -1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 30 13.523 -2.645 1.278 1.00 0.00 H new ATOM 0 HE1 TRP A 30 12.850 -2.534 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 30 9.507 0.472 0.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 10.850 -1.270 5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.245 1.078 2.847 1.00 0.00 H new ATOM 0 HH2 TRP A 30 8.916 0.224 5.054 1.00 0.00 H new ATOM 502 N HIS A 31 13.700 0.549 -3.186 1.00 0.00 N ATOM 503 CA HIS A 31 14.081 0.375 -4.582 1.00 0.00 C ATOM 504 C HIS A 31 15.428 -0.330 -4.635 1.00 0.00 C ATOM 505 O HIS A 31 16.247 -0.107 -3.753 1.00 0.00 O ATOM 506 CB HIS A 31 14.177 1.744 -5.274 1.00 0.00 C ATOM 507 CG HIS A 31 13.542 1.805 -6.633 1.00 0.00 C ATOM 508 ND1 HIS A 31 14.266 1.835 -7.802 1.00 0.00 N ATOM 509 CD2 HIS A 31 12.240 1.885 -7.003 1.00 0.00 C ATOM 510 CE1 HIS A 31 13.443 1.935 -8.827 1.00 0.00 C ATOM 511 NE2 HIS A 31 12.205 1.967 -8.373 1.00 0.00 N ATOM 0 H HIS A 31 13.715 1.516 -2.861 1.00 0.00 H new ATOM 0 HA HIS A 31 13.330 -0.223 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.709 2.493 -4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.228 2.016 -5.366 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.387 1.884 -6.341 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.734 1.983 -9.866 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.363 2.040 -8.944 1.00 0.00 H new ATOM 520 N PRO A 32 15.690 -1.191 -5.631 1.00 0.00 N ATOM 521 CA PRO A 32 16.861 -2.087 -5.612 1.00 0.00 C ATOM 522 C PRO A 32 18.180 -1.346 -5.386 1.00 0.00 C ATOM 523 O PRO A 32 19.076 -1.848 -4.706 1.00 0.00 O ATOM 524 CB PRO A 32 16.843 -2.743 -7.001 1.00 0.00 C ATOM 525 CG PRO A 32 15.885 -1.936 -7.812 1.00 0.00 C ATOM 526 CD PRO A 32 14.884 -1.381 -6.843 1.00 0.00 C ATOM 0 HA PRO A 32 16.801 -2.799 -4.789 1.00 0.00 H new ATOM 0 HB2 PRO A 32 17.837 -2.739 -7.449 1.00 0.00 H new ATOM 0 HB3 PRO A 32 16.525 -3.784 -6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 32 16.401 -1.135 -8.341 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.397 -2.553 -8.566 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.454 -0.444 -7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.055 -2.069 -6.676 1.00 0.00 H new ATOM 534 N ASP A 33 18.275 -0.136 -5.910 1.00 0.00 N ATOM 535 CA ASP A 33 19.483 0.670 -5.743 1.00 0.00 C ATOM 536 C ASP A 33 19.633 1.137 -4.296 1.00 0.00 C ATOM 537 O ASP A 33 20.740 1.410 -3.827 1.00 0.00 O ATOM 538 CB ASP A 33 19.442 1.881 -6.674 1.00 0.00 C ATOM 539 CG ASP A 33 20.741 2.660 -6.679 1.00 0.00 C ATOM 540 OD1 ASP A 33 21.680 2.248 -7.390 1.00 0.00 O ATOM 541 OD2 ASP A 33 20.826 3.697 -5.989 1.00 0.00 O ATOM 0 H ASP A 33 17.537 0.313 -6.453 1.00 0.00 H new ATOM 0 HA ASP A 33 20.341 0.048 -5.997 1.00 0.00 H new ATOM 0 HB2 ASP A 33 19.220 1.547 -7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.629 2.540 -6.370 1.00 0.00 H new ATOM 546 N LYS A 34 18.514 1.204 -3.585 1.00 0.00 N ATOM 547 CA LYS A 34 18.480 1.764 -2.246 1.00 0.00 C ATOM 548 C LYS A 34 18.149 0.714 -1.182 1.00 0.00 C ATOM 549 O LYS A 34 17.955 1.054 -0.017 1.00 0.00 O ATOM 550 CB LYS A 34 17.452 2.894 -2.188 1.00 0.00 C ATOM 551 CG LYS A 34 17.752 4.056 -3.124 1.00 0.00 C ATOM 552 CD LYS A 34 19.098 4.693 -2.810 1.00 0.00 C ATOM 553 CE LYS A 34 19.329 5.961 -3.620 1.00 0.00 C ATOM 554 NZ LYS A 34 19.370 5.701 -5.084 1.00 0.00 N ATOM 0 H LYS A 34 17.610 0.872 -3.921 1.00 0.00 H new ATOM 0 HA LYS A 34 19.477 2.147 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.470 2.490 -2.432 1.00 0.00 H new ATOM 0 HB3 LYS A 34 17.398 3.269 -1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.747 3.704 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 34 16.965 4.805 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.150 4.927 -1.747 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.895 3.979 -3.018 1.00 0.00 H new ATOM 0 HE2 LYS A 34 18.536 6.677 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 34 20.267 6.421 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 19.597 6.583 -5.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 20.099 4.988 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.443 5.350 -5.400 1.00 0.00 H new ATOM 568 N ASN A 35 18.097 -0.561 -1.559 1.00 0.00 N ATOM 569 CA ASN A 35 17.796 -1.603 -0.577 1.00 0.00 C ATOM 570 C ASN A 35 19.075 -2.336 -0.183 1.00 0.00 C ATOM 571 O ASN A 35 19.998 -2.468 -0.992 1.00 0.00 O ATOM 572 CB ASN A 35 16.696 -2.582 -1.064 1.00 0.00 C ATOM 573 CG ASN A 35 17.161 -3.716 -1.977 1.00 0.00 C ATOM 574 OD1 ASN A 35 16.600 -4.809 -1.938 1.00 0.00 O ATOM 575 ND2 ASN A 35 18.160 -3.482 -2.807 1.00 0.00 N ATOM 0 H ASN A 35 18.254 -0.893 -2.510 1.00 0.00 H new ATOM 0 HA ASN A 35 17.388 -1.116 0.309 1.00 0.00 H new ATOM 0 HB2 ASN A 35 16.216 -3.021 -0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 35 15.934 -2.007 -1.591 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.483 -4.217 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 35 18.609 -2.566 -2.820 1.00 0.00 H new ATOM 582 N PRO A 36 19.171 -2.766 1.084 1.00 0.00 N ATOM 583 CA PRO A 36 20.388 -3.368 1.630 1.00 0.00 C ATOM 584 C PRO A 36 20.533 -4.851 1.273 1.00 0.00 C ATOM 585 O PRO A 36 20.574 -5.214 0.096 1.00 0.00 O ATOM 586 CB PRO A 36 20.199 -3.182 3.132 1.00 0.00 C ATOM 587 CG PRO A 36 18.730 -3.292 3.328 1.00 0.00 C ATOM 588 CD PRO A 36 18.097 -2.698 2.094 1.00 0.00 C ATOM 0 HA PRO A 36 21.294 -2.911 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 36 20.735 -3.943 3.699 1.00 0.00 H new ATOM 0 HB3 PRO A 36 20.574 -2.214 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 36 18.431 -4.332 3.457 1.00 0.00 H new ATOM 0 HG3 PRO A 36 18.415 -2.756 4.224 1.00 0.00 H new ATOM 0 HD2 PRO A 36 17.218 -3.263 1.783 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.772 -1.672 2.265 1.00 0.00 H new ATOM 596 N ASP A 37 20.600 -5.710 2.286 1.00 0.00 N ATOM 597 CA ASP A 37 20.821 -7.133 2.053 1.00 0.00 C ATOM 598 C ASP A 37 19.512 -7.900 2.058 1.00 0.00 C ATOM 599 O ASP A 37 19.471 -9.079 1.715 1.00 0.00 O ATOM 600 CB ASP A 37 21.774 -7.718 3.094 1.00 0.00 C ATOM 601 CG ASP A 37 23.220 -7.388 2.798 1.00 0.00 C ATOM 602 OD1 ASP A 37 23.848 -8.121 2.006 1.00 0.00 O ATOM 603 OD2 ASP A 37 23.733 -6.389 3.346 1.00 0.00 O ATOM 0 H ASP A 37 20.505 -5.449 3.267 1.00 0.00 H new ATOM 0 HA ASP A 37 21.277 -7.235 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 37 21.511 -7.335 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 37 21.650 -8.800 3.129 1.00 0.00 H new ATOM 608 N ASN A 38 18.437 -7.224 2.428 1.00 0.00 N ATOM 609 CA ASN A 38 17.125 -7.846 2.409 1.00 0.00 C ATOM 610 C ASN A 38 16.379 -7.459 1.148 1.00 0.00 C ATOM 611 O ASN A 38 15.815 -6.371 1.056 1.00 0.00 O ATOM 612 CB ASN A 38 16.306 -7.453 3.643 1.00 0.00 C ATOM 613 CG ASN A 38 16.856 -8.053 4.921 1.00 0.00 C ATOM 614 OD1 ASN A 38 17.477 -9.115 4.904 1.00 0.00 O ATOM 615 ND2 ASN A 38 16.617 -7.389 6.040 1.00 0.00 N ATOM 0 H ASN A 38 18.446 -6.254 2.742 1.00 0.00 H new ATOM 0 HA ASN A 38 17.267 -8.927 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 38 16.290 -6.367 3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.274 -7.777 3.508 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.952 -7.755 6.931 1.00 0.00 H new ATOM 0 HD22 ASN A 38 16.098 -6.511 6.011 1.00 0.00 H new ATOM 622 N LYS A 39 16.373 -8.363 0.183 1.00 0.00 N ATOM 623 CA LYS A 39 15.622 -8.160 -1.044 1.00 0.00 C ATOM 624 C LYS A 39 14.246 -8.773 -0.896 1.00 0.00 C ATOM 625 O LYS A 39 13.268 -8.281 -1.452 1.00 0.00 O ATOM 626 CB LYS A 39 16.337 -8.784 -2.247 1.00 0.00 C ATOM 627 CG LYS A 39 17.447 -7.930 -2.845 1.00 0.00 C ATOM 628 CD LYS A 39 18.658 -7.839 -1.937 1.00 0.00 C ATOM 629 CE LYS A 39 19.800 -7.108 -2.622 1.00 0.00 C ATOM 630 NZ LYS A 39 21.043 -7.131 -1.810 1.00 0.00 N ATOM 0 H LYS A 39 16.881 -9.246 0.226 1.00 0.00 H new ATOM 0 HA LYS A 39 15.538 -7.088 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.759 -9.742 -1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.600 -8.991 -3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 39 17.747 -8.349 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 39 17.066 -6.928 -3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 39 18.389 -7.319 -1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.981 -8.841 -1.654 1.00 0.00 H new ATOM 0 HE2 LYS A 39 19.993 -7.565 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.508 -6.075 -2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 21.868 -7.039 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 21.031 -6.340 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 21.101 -8.030 -1.290 1.00 0.00 H new ATOM 644 N GLU A 40 14.184 -9.831 -0.100 1.00 0.00 N ATOM 645 CA GLU A 40 12.930 -10.511 0.186 1.00 0.00 C ATOM 646 C GLU A 40 11.964 -9.552 0.861 1.00 0.00 C ATOM 647 O GLU A 40 10.787 -9.488 0.522 1.00 0.00 O ATOM 648 CB GLU A 40 13.189 -11.707 1.103 1.00 0.00 C ATOM 649 CG GLU A 40 11.956 -12.541 1.408 1.00 0.00 C ATOM 650 CD GLU A 40 11.411 -13.246 0.185 1.00 0.00 C ATOM 651 OE1 GLU A 40 12.127 -14.098 -0.380 1.00 0.00 O ATOM 652 OE2 GLU A 40 10.264 -12.969 -0.207 1.00 0.00 O ATOM 0 H GLU A 40 14.996 -10.240 0.363 1.00 0.00 H new ATOM 0 HA GLU A 40 12.493 -10.860 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 40 13.941 -12.347 0.642 1.00 0.00 H new ATOM 0 HB3 GLU A 40 13.610 -11.346 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.202 -13.281 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.182 -11.898 1.827 1.00 0.00 H new ATOM 659 N PHE A 41 12.486 -8.800 1.810 1.00 0.00 N ATOM 660 CA PHE A 41 11.689 -7.840 2.551 1.00 0.00 C ATOM 661 C PHE A 41 11.328 -6.633 1.696 1.00 0.00 C ATOM 662 O PHE A 41 10.215 -6.124 1.787 1.00 0.00 O ATOM 663 CB PHE A 41 12.412 -7.405 3.822 1.00 0.00 C ATOM 664 CG PHE A 41 12.494 -8.493 4.854 1.00 0.00 C ATOM 665 CD1 PHE A 41 13.559 -9.379 4.871 1.00 0.00 C ATOM 666 CD2 PHE A 41 11.494 -8.637 5.801 1.00 0.00 C ATOM 667 CE1 PHE A 41 13.625 -10.385 5.814 1.00 0.00 C ATOM 668 CE2 PHE A 41 11.555 -9.640 6.746 1.00 0.00 C ATOM 669 CZ PHE A 41 12.621 -10.516 6.751 1.00 0.00 C ATOM 0 H PHE A 41 13.467 -8.836 2.088 1.00 0.00 H new ATOM 0 HA PHE A 41 10.759 -8.333 2.834 1.00 0.00 H new ATOM 0 HB2 PHE A 41 13.420 -7.078 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.897 -6.545 4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.346 -9.282 4.138 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.656 -7.956 5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 41 14.461 -11.068 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.770 -9.739 7.481 1.00 0.00 H new ATOM 0 HZ PHE A 41 12.669 -11.304 7.488 1.00 0.00 H new ATOM 679 N ALA A 42 12.261 -6.184 0.858 1.00 0.00 N ATOM 680 CA ALA A 42 12.015 -5.022 0.013 1.00 0.00 C ATOM 681 C ALA A 42 10.850 -5.278 -0.932 1.00 0.00 C ATOM 682 O ALA A 42 9.946 -4.451 -1.054 1.00 0.00 O ATOM 683 CB ALA A 42 13.266 -4.661 -0.776 1.00 0.00 C ATOM 0 H ALA A 42 13.184 -6.604 0.748 1.00 0.00 H new ATOM 0 HA ALA A 42 11.756 -4.182 0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.064 -3.791 -1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.078 -4.431 -0.086 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.554 -5.502 -1.407 1.00 0.00 H new ATOM 689 N GLU A 43 10.850 -6.441 -1.572 1.00 0.00 N ATOM 690 CA GLU A 43 9.764 -6.797 -2.471 1.00 0.00 C ATOM 691 C GLU A 43 8.487 -7.095 -1.691 1.00 0.00 C ATOM 692 O GLU A 43 7.395 -6.741 -2.129 1.00 0.00 O ATOM 693 CB GLU A 43 10.147 -7.968 -3.388 1.00 0.00 C ATOM 694 CG GLU A 43 10.598 -9.223 -2.663 1.00 0.00 C ATOM 695 CD GLU A 43 10.998 -10.324 -3.622 1.00 0.00 C ATOM 696 OE1 GLU A 43 12.117 -10.267 -4.178 1.00 0.00 O ATOM 697 OE2 GLU A 43 10.192 -11.254 -3.836 1.00 0.00 O ATOM 0 H GLU A 43 11.582 -7.146 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 43 9.572 -5.937 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.290 -8.215 -4.015 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.946 -7.643 -4.054 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.441 -8.983 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.793 -9.578 -2.020 1.00 0.00 H new ATOM 704 N LYS A 44 8.627 -7.736 -0.534 1.00 0.00 N ATOM 705 CA LYS A 44 7.477 -8.067 0.303 1.00 0.00 C ATOM 706 C LYS A 44 6.750 -6.797 0.742 1.00 0.00 C ATOM 707 O LYS A 44 5.524 -6.709 0.651 1.00 0.00 O ATOM 708 CB LYS A 44 7.923 -8.862 1.533 1.00 0.00 C ATOM 709 CG LYS A 44 6.840 -9.757 2.120 1.00 0.00 C ATOM 710 CD LYS A 44 6.485 -10.887 1.163 1.00 0.00 C ATOM 711 CE LYS A 44 5.499 -11.871 1.779 1.00 0.00 C ATOM 712 NZ LYS A 44 4.169 -11.257 2.023 1.00 0.00 N ATOM 0 H LYS A 44 9.525 -8.037 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 44 6.792 -8.679 -0.285 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.781 -9.477 1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.259 -8.165 2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.182 -10.173 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.951 -9.164 2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.058 -10.469 0.252 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.393 -11.417 0.875 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.385 -12.730 1.117 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.902 -12.245 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.527 -11.969 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.270 -10.464 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.778 -10.908 1.125 1.00 0.00 H new ATOM 726 N LYS A 45 7.520 -5.805 1.192 1.00 0.00 N ATOM 727 CA LYS A 45 6.965 -4.526 1.617 1.00 0.00 C ATOM 728 C LYS A 45 6.354 -3.804 0.428 1.00 0.00 C ATOM 729 O LYS A 45 5.304 -3.168 0.542 1.00 0.00 O ATOM 730 CB LYS A 45 8.045 -3.646 2.253 1.00 0.00 C ATOM 731 CG LYS A 45 8.555 -4.172 3.583 1.00 0.00 C ATOM 732 CD LYS A 45 7.418 -4.403 4.554 1.00 0.00 C ATOM 733 CE LYS A 45 7.927 -4.696 5.953 1.00 0.00 C ATOM 734 NZ LYS A 45 8.751 -3.584 6.499 1.00 0.00 N ATOM 0 H LYS A 45 8.535 -5.867 1.270 1.00 0.00 H new ATOM 0 HA LYS A 45 6.193 -4.721 2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.883 -3.558 1.562 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.645 -2.643 2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.096 -5.105 3.424 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.263 -3.462 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.775 -3.523 4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.806 -5.236 4.207 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.080 -4.876 6.615 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.520 -5.611 5.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.806 -3.669 7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.709 -3.631 6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.315 -2.674 6.249 1.00 0.00 H new ATOM 748 N PHE A 46 7.023 -3.926 -0.714 1.00 0.00 N ATOM 749 CA PHE A 46 6.560 -3.316 -1.955 1.00 0.00 C ATOM 750 C PHE A 46 5.206 -3.889 -2.364 1.00 0.00 C ATOM 751 O PHE A 46 4.328 -3.162 -2.822 1.00 0.00 O ATOM 752 CB PHE A 46 7.588 -3.535 -3.069 1.00 0.00 C ATOM 753 CG PHE A 46 7.239 -2.859 -4.366 1.00 0.00 C ATOM 754 CD1 PHE A 46 7.471 -1.505 -4.539 1.00 0.00 C ATOM 755 CD2 PHE A 46 6.685 -3.580 -5.413 1.00 0.00 C ATOM 756 CE1 PHE A 46 7.159 -0.881 -5.731 1.00 0.00 C ATOM 757 CE2 PHE A 46 6.374 -2.962 -6.607 1.00 0.00 C ATOM 758 CZ PHE A 46 6.610 -1.611 -6.767 1.00 0.00 C ATOM 0 H PHE A 46 7.895 -4.447 -0.805 1.00 0.00 H new ATOM 0 HA PHE A 46 6.444 -2.245 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.558 -3.170 -2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.694 -4.605 -3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.901 -0.930 -3.732 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.495 -4.636 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.344 0.176 -5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.946 -3.535 -7.416 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.366 -1.126 -7.701 1.00 0.00 H new ATOM 768 N LYS A 47 5.039 -5.195 -2.188 1.00 0.00 N ATOM 769 CA LYS A 47 3.786 -5.857 -2.525 1.00 0.00 C ATOM 770 C LYS A 47 2.663 -5.392 -1.607 1.00 0.00 C ATOM 771 O LYS A 47 1.549 -5.130 -2.065 1.00 0.00 O ATOM 772 CB LYS A 47 3.938 -7.377 -2.438 1.00 0.00 C ATOM 773 CG LYS A 47 4.877 -7.956 -3.481 1.00 0.00 C ATOM 774 CD LYS A 47 4.348 -7.739 -4.890 1.00 0.00 C ATOM 775 CE LYS A 47 5.348 -8.202 -5.933 1.00 0.00 C ATOM 776 NZ LYS A 47 4.814 -8.083 -7.314 1.00 0.00 N ATOM 0 H LYS A 47 5.757 -5.816 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 47 3.530 -5.588 -3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.304 -7.641 -1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.957 -7.839 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.859 -7.493 -3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.009 -9.023 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.411 -8.281 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.127 -6.682 -5.039 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.260 -7.612 -5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.619 -9.240 -5.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.531 -8.410 -7.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.958 -8.666 -7.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.579 -7.089 -7.511 1.00 0.00 H new ATOM 790 N GLU A 48 2.968 -5.261 -0.318 1.00 0.00 N ATOM 791 CA GLU A 48 1.965 -4.867 0.664 1.00 0.00 C ATOM 792 C GLU A 48 1.458 -3.455 0.391 1.00 0.00 C ATOM 793 O GLU A 48 0.258 -3.203 0.431 1.00 0.00 O ATOM 794 CB GLU A 48 2.529 -4.945 2.088 1.00 0.00 C ATOM 795 CG GLU A 48 2.919 -6.346 2.524 1.00 0.00 C ATOM 796 CD GLU A 48 3.408 -6.386 3.958 1.00 0.00 C ATOM 797 OE1 GLU A 48 4.524 -5.899 4.225 1.00 0.00 O ATOM 798 OE2 GLU A 48 2.678 -6.897 4.830 1.00 0.00 O ATOM 0 H GLU A 48 3.898 -5.422 0.068 1.00 0.00 H new ATOM 0 HA GLU A 48 1.132 -5.564 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.403 -4.298 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.787 -4.553 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.061 -7.010 2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.700 -6.725 1.865 1.00 0.00 H new ATOM 805 N VAL A 49 2.368 -2.536 0.095 1.00 0.00 N ATOM 806 CA VAL A 49 1.971 -1.163 -0.191 1.00 0.00 C ATOM 807 C VAL A 49 1.284 -1.064 -1.550 1.00 0.00 C ATOM 808 O VAL A 49 0.308 -0.332 -1.704 1.00 0.00 O ATOM 809 CB VAL A 49 3.162 -0.175 -0.118 1.00 0.00 C ATOM 810 CG1 VAL A 49 4.288 -0.589 -1.050 1.00 0.00 C ATOM 811 CG2 VAL A 49 2.709 1.240 -0.441 1.00 0.00 C ATOM 0 H VAL A 49 3.372 -2.712 0.047 1.00 0.00 H new ATOM 0 HA VAL A 49 1.262 -0.876 0.586 1.00 0.00 H new ATOM 0 HB VAL A 49 3.543 -0.199 0.903 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.106 0.127 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.645 -1.580 -0.771 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.921 -0.611 -2.076 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.561 1.917 -0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.291 1.267 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.950 1.552 0.276 1.00 0.00 H new ATOM 821 N ALA A 50 1.775 -1.820 -2.527 1.00 0.00 N ATOM 822 CA ALA A 50 1.210 -1.780 -3.869 1.00 0.00 C ATOM 823 C ALA A 50 -0.254 -2.196 -3.867 1.00 0.00 C ATOM 824 O ALA A 50 -1.092 -1.529 -4.469 1.00 0.00 O ATOM 825 CB ALA A 50 2.006 -2.673 -4.805 1.00 0.00 C ATOM 0 H ALA A 50 2.558 -2.464 -2.415 1.00 0.00 H new ATOM 0 HA ALA A 50 1.268 -0.751 -4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.571 -2.632 -5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.040 -2.329 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.979 -3.699 -4.439 1.00 0.00 H new ATOM 831 N GLU A 51 -0.569 -3.273 -3.157 1.00 0.00 N ATOM 832 CA GLU A 51 -1.942 -3.761 -3.103 1.00 0.00 C ATOM 833 C GLU A 51 -2.813 -2.831 -2.264 1.00 0.00 C ATOM 834 O GLU A 51 -3.957 -2.543 -2.619 1.00 0.00 O ATOM 835 CB GLU A 51 -2.001 -5.185 -2.541 1.00 0.00 C ATOM 836 CG GLU A 51 -1.550 -5.297 -1.098 1.00 0.00 C ATOM 837 CD GLU A 51 -1.802 -6.668 -0.519 1.00 0.00 C ATOM 838 OE1 GLU A 51 -1.087 -7.622 -0.889 1.00 0.00 O ATOM 839 OE2 GLU A 51 -2.739 -6.807 0.297 1.00 0.00 O ATOM 0 H GLU A 51 0.100 -3.820 -2.616 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.327 -3.778 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.023 -5.554 -2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.378 -5.834 -3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.486 -5.069 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.072 -4.551 -0.498 1.00 0.00 H new ATOM 846 N ALA A 52 -2.251 -2.352 -1.160 1.00 0.00 N ATOM 847 CA ALA A 52 -2.990 -1.553 -0.197 1.00 0.00 C ATOM 848 C ALA A 52 -3.279 -0.158 -0.730 1.00 0.00 C ATOM 849 O ALA A 52 -4.363 0.387 -0.519 1.00 0.00 O ATOM 850 CB ALA A 52 -2.221 -1.486 1.110 1.00 0.00 C ATOM 0 H ALA A 52 -1.274 -2.507 -0.910 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.952 -2.033 -0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.778 -0.886 1.830 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.086 -2.493 1.505 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.246 -1.031 0.936 1.00 0.00 H new ATOM 856 N TYR A 53 -2.313 0.416 -1.432 1.00 0.00 N ATOM 857 CA TYR A 53 -2.493 1.727 -2.027 1.00 0.00 C ATOM 858 C TYR A 53 -3.469 1.632 -3.190 1.00 0.00 C ATOM 859 O TYR A 53 -4.330 2.491 -3.360 1.00 0.00 O ATOM 860 CB TYR A 53 -1.136 2.309 -2.465 1.00 0.00 C ATOM 861 CG TYR A 53 -1.029 2.670 -3.935 1.00 0.00 C ATOM 862 CD1 TYR A 53 -1.468 3.902 -4.400 1.00 0.00 C ATOM 863 CD2 TYR A 53 -0.478 1.781 -4.851 1.00 0.00 C ATOM 864 CE1 TYR A 53 -1.365 4.237 -5.735 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.372 2.110 -6.188 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.817 3.342 -6.625 1.00 0.00 C ATOM 867 OH TYR A 53 -0.707 3.677 -7.956 1.00 0.00 O ATOM 0 H TYR A 53 -1.400 -0.006 -1.602 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.914 2.408 -1.287 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.934 3.202 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.356 1.586 -2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.897 4.610 -3.706 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.127 0.818 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -1.714 5.199 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.056 1.408 -6.888 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.298 2.934 -8.447 1.00 0.00 H new ATOM 877 N GLU A 54 -3.338 0.565 -3.968 1.00 0.00 N ATOM 878 CA GLU A 54 -4.199 0.336 -5.117 1.00 0.00 C ATOM 879 C GLU A 54 -5.658 0.184 -4.687 1.00 0.00 C ATOM 880 O GLU A 54 -6.542 0.855 -5.223 1.00 0.00 O ATOM 881 CB GLU A 54 -3.707 -0.901 -5.880 1.00 0.00 C ATOM 882 CG GLU A 54 -4.526 -1.266 -7.105 1.00 0.00 C ATOM 883 CD GLU A 54 -5.574 -2.319 -6.814 1.00 0.00 C ATOM 884 OE1 GLU A 54 -5.204 -3.502 -6.665 1.00 0.00 O ATOM 885 OE2 GLU A 54 -6.766 -1.971 -6.732 1.00 0.00 O ATOM 0 H GLU A 54 -2.636 -0.160 -3.820 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.151 1.200 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.675 -0.733 -6.188 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.701 -1.752 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.014 -0.371 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.860 -1.629 -7.888 1.00 0.00 H new ATOM 892 N VAL A 55 -5.901 -0.673 -3.698 1.00 0.00 N ATOM 893 CA VAL A 55 -7.259 -0.940 -3.241 1.00 0.00 C ATOM 894 C VAL A 55 -7.883 0.301 -2.595 1.00 0.00 C ATOM 895 O VAL A 55 -9.069 0.572 -2.771 1.00 0.00 O ATOM 896 CB VAL A 55 -7.315 -2.150 -2.268 1.00 0.00 C ATOM 897 CG1 VAL A 55 -6.578 -1.869 -0.967 1.00 0.00 C ATOM 898 CG2 VAL A 55 -8.751 -2.559 -1.992 1.00 0.00 C ATOM 0 H VAL A 55 -5.177 -1.192 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.845 -1.198 -4.123 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.807 -2.980 -2.759 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.643 -2.741 -0.317 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.531 -1.653 -1.181 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.031 -1.011 -0.470 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.763 -3.408 -1.308 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.287 -1.723 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.236 -2.840 -2.927 1.00 0.00 H new ATOM 908 N LEU A 56 -7.080 1.057 -1.851 1.00 0.00 N ATOM 909 CA LEU A 56 -7.564 2.266 -1.189 1.00 0.00 C ATOM 910 C LEU A 56 -7.801 3.396 -2.193 1.00 0.00 C ATOM 911 O LEU A 56 -8.632 4.277 -1.966 1.00 0.00 O ATOM 912 CB LEU A 56 -6.578 2.704 -0.093 1.00 0.00 C ATOM 913 CG LEU A 56 -6.956 3.980 0.670 1.00 0.00 C ATOM 914 CD1 LEU A 56 -8.215 3.771 1.494 1.00 0.00 C ATOM 915 CD2 LEU A 56 -5.806 4.427 1.559 1.00 0.00 C ATOM 0 H LEU A 56 -6.093 0.855 -1.691 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.523 2.036 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.476 1.890 0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.599 2.852 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.158 4.764 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.460 4.691 2.024 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.040 3.501 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.049 2.970 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.090 5.333 2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.574 3.640 2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.928 4.628 0.945 1.00 0.00 H new ATOM 927 N SER A 57 -7.083 3.358 -3.309 1.00 0.00 N ATOM 928 CA SER A 57 -7.209 4.391 -4.329 1.00 0.00 C ATOM 929 C SER A 57 -8.407 4.139 -5.242 1.00 0.00 C ATOM 930 O SER A 57 -8.879 5.054 -5.919 1.00 0.00 O ATOM 931 CB SER A 57 -5.935 4.471 -5.171 1.00 0.00 C ATOM 932 OG SER A 57 -4.823 4.882 -4.391 1.00 0.00 O ATOM 0 H SER A 57 -6.409 2.625 -3.530 1.00 0.00 H new ATOM 0 HA SER A 57 -7.365 5.338 -3.812 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.729 3.497 -5.616 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.084 5.172 -5.993 1.00 0.00 H new ATOM 0 HG SER A 57 -4.333 4.093 -4.079 1.00 0.00 H new ATOM 938 N ASP A 58 -8.903 2.906 -5.258 1.00 0.00 N ATOM 939 CA ASP A 58 -9.995 2.546 -6.157 1.00 0.00 C ATOM 940 C ASP A 58 -11.270 2.297 -5.366 1.00 0.00 C ATOM 941 O ASP A 58 -11.314 1.437 -4.488 1.00 0.00 O ATOM 942 CB ASP A 58 -9.632 1.305 -6.973 1.00 0.00 C ATOM 943 CG ASP A 58 -10.682 0.967 -8.015 1.00 0.00 C ATOM 944 OD1 ASP A 58 -11.629 0.218 -7.695 1.00 0.00 O ATOM 945 OD2 ASP A 58 -10.560 1.437 -9.162 1.00 0.00 O ATOM 0 H ASP A 58 -8.571 2.145 -4.665 1.00 0.00 H new ATOM 0 HA ASP A 58 -10.163 3.376 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.674 1.466 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -9.505 0.456 -6.301 1.00 0.00 H new ATOM 950 N LYS A 59 -12.313 3.051 -5.698 1.00 0.00 N ATOM 951 CA LYS A 59 -13.564 3.004 -4.958 1.00 0.00 C ATOM 952 C LYS A 59 -14.253 1.651 -5.113 1.00 0.00 C ATOM 953 O LYS A 59 -14.897 1.166 -4.185 1.00 0.00 O ATOM 954 CB LYS A 59 -14.460 4.181 -5.398 1.00 0.00 C ATOM 955 CG LYS A 59 -15.928 3.848 -5.647 1.00 0.00 C ATOM 956 CD LYS A 59 -16.136 3.279 -7.040 1.00 0.00 C ATOM 957 CE LYS A 59 -17.608 3.251 -7.417 1.00 0.00 C ATOM 958 NZ LYS A 59 -18.409 2.422 -6.481 1.00 0.00 N ATOM 0 H LYS A 59 -12.313 3.705 -6.481 1.00 0.00 H new ATOM 0 HA LYS A 59 -13.360 3.113 -3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -14.409 4.956 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.044 4.606 -6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -16.271 3.129 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.533 4.747 -5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.585 3.878 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.728 2.269 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -17.999 4.268 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -17.715 2.860 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -19.417 2.499 -6.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -18.110 1.429 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -18.262 2.757 -5.508 1.00 0.00 H new ATOM 972 N HIS A 60 -14.119 1.041 -6.284 1.00 0.00 N ATOM 973 CA HIS A 60 -14.736 -0.253 -6.526 1.00 0.00 C ATOM 974 C HIS A 60 -14.007 -1.345 -5.755 1.00 0.00 C ATOM 975 O HIS A 60 -14.628 -2.250 -5.201 1.00 0.00 O ATOM 976 CB HIS A 60 -14.773 -0.580 -8.017 1.00 0.00 C ATOM 977 CG HIS A 60 -15.619 -1.777 -8.334 1.00 0.00 C ATOM 978 ND1 HIS A 60 -16.887 -1.950 -7.824 1.00 0.00 N ATOM 979 CD2 HIS A 60 -15.375 -2.865 -9.101 1.00 0.00 C ATOM 980 CE1 HIS A 60 -17.384 -3.091 -8.262 1.00 0.00 C ATOM 981 NE2 HIS A 60 -16.488 -3.666 -9.040 1.00 0.00 N ATOM 0 H HIS A 60 -13.594 1.418 -7.073 1.00 0.00 H new ATOM 0 HA HIS A 60 -15.765 -0.205 -6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -15.155 0.283 -8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.757 -0.756 -8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -17.367 -1.297 -7.204 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -14.472 -3.066 -9.658 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -18.360 -3.487 -8.024 1.00 0.00 H new ATOM 990 N LYS A 61 -12.685 -1.257 -5.731 1.00 0.00 N ATOM 991 CA LYS A 61 -11.874 -2.204 -4.982 1.00 0.00 C ATOM 992 C LYS A 61 -12.170 -2.080 -3.497 1.00 0.00 C ATOM 993 O LYS A 61 -12.147 -3.065 -2.763 1.00 0.00 O ATOM 994 CB LYS A 61 -10.386 -1.968 -5.242 1.00 0.00 C ATOM 995 CG LYS A 61 -9.640 -3.224 -5.672 1.00 0.00 C ATOM 996 CD LYS A 61 -10.185 -3.772 -6.983 1.00 0.00 C ATOM 997 CE LYS A 61 -10.022 -2.769 -8.112 1.00 0.00 C ATOM 998 NZ LYS A 61 -8.595 -2.550 -8.460 1.00 0.00 N ATOM 0 H LYS A 61 -12.152 -0.539 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.125 -3.211 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -10.276 -1.207 -6.014 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.925 -1.573 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.579 -2.999 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.725 -3.984 -4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.666 -4.696 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.240 -4.021 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.559 -3.123 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.474 -1.820 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.533 -1.967 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.117 -2.063 -7.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.135 -3.467 -8.630 1.00 0.00 H new ATOM 1012 N ARG A 62 -12.451 -0.855 -3.069 1.00 0.00 N ATOM 1013 CA ARG A 62 -12.884 -0.593 -1.706 1.00 0.00 C ATOM 1014 C ARG A 62 -14.177 -1.337 -1.397 1.00 0.00 C ATOM 1015 O ARG A 62 -14.316 -1.923 -0.325 1.00 0.00 O ATOM 1016 CB ARG A 62 -13.061 0.911 -1.484 1.00 0.00 C ATOM 1017 CG ARG A 62 -11.757 1.633 -1.181 1.00 0.00 C ATOM 1018 CD ARG A 62 -11.505 1.719 0.320 1.00 0.00 C ATOM 1019 NE ARG A 62 -11.694 0.434 1.000 1.00 0.00 N ATOM 1020 CZ ARG A 62 -12.638 0.213 1.920 1.00 0.00 C ATOM 1021 NH1 ARG A 62 -13.466 1.194 2.264 1.00 0.00 N ATOM 1022 NH2 ARG A 62 -12.753 -0.982 2.491 1.00 0.00 N ATOM 0 H ARG A 62 -12.385 -0.022 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 62 -12.114 -0.956 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -13.514 1.351 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -13.756 1.070 -0.660 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -10.930 1.110 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -11.788 2.637 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.488 2.071 0.494 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -12.177 2.458 0.755 1.00 0.00 H new ATOM 0 HE ARG A 62 -11.070 -0.335 0.757 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.380 2.111 1.826 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.188 1.030 2.966 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -12.119 -1.736 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -13.475 -1.145 3.193 1.00 0.00 H new ATOM 1036 N GLU A 63 -15.112 -1.325 -2.348 1.00 0.00 N ATOM 1037 CA GLU A 63 -16.365 -2.062 -2.193 1.00 0.00 C ATOM 1038 C GLU A 63 -16.082 -3.549 -2.044 1.00 0.00 C ATOM 1039 O GLU A 63 -16.622 -4.215 -1.161 1.00 0.00 O ATOM 1040 CB GLU A 63 -17.270 -1.865 -3.414 1.00 0.00 C ATOM 1041 CG GLU A 63 -17.618 -0.422 -3.719 1.00 0.00 C ATOM 1042 CD GLU A 63 -18.424 -0.292 -4.995 1.00 0.00 C ATOM 1043 OE1 GLU A 63 -17.818 -0.145 -6.076 1.00 0.00 O ATOM 1044 OE2 GLU A 63 -19.671 -0.334 -4.929 1.00 0.00 O ATOM 0 H GLU A 63 -15.026 -0.816 -3.228 1.00 0.00 H new ATOM 0 HA GLU A 63 -16.866 -1.681 -1.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.780 -2.298 -4.286 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -18.194 -2.422 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -18.184 -0.002 -2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -16.702 0.161 -3.808 1.00 0.00 H new ATOM 1051 N ILE A 64 -15.190 -4.049 -2.889 1.00 0.00 N ATOM 1052 CA ILE A 64 -14.884 -5.467 -2.923 1.00 0.00 C ATOM 1053 C ILE A 64 -14.154 -5.892 -1.660 1.00 0.00 C ATOM 1054 O ILE A 64 -14.523 -6.872 -1.029 1.00 0.00 O ATOM 1055 CB ILE A 64 -14.030 -5.823 -4.161 1.00 0.00 C ATOM 1056 CG1 ILE A 64 -14.778 -5.464 -5.451 1.00 0.00 C ATOM 1057 CG2 ILE A 64 -13.649 -7.298 -4.159 1.00 0.00 C ATOM 1058 CD1 ILE A 64 -16.118 -6.153 -5.596 1.00 0.00 C ATOM 0 H ILE A 64 -14.666 -3.489 -3.561 1.00 0.00 H new ATOM 0 HA ILE A 64 -15.830 -6.005 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 64 -13.112 -5.237 -4.116 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -14.930 -4.385 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -14.153 -5.723 -6.306 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.049 -7.520 -5.041 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -13.073 -7.524 -3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.553 -7.907 -4.173 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -16.585 -5.848 -6.533 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -15.973 -7.233 -5.598 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -16.762 -5.875 -4.762 1.00 0.00 H new ATOM 1070 N TYR A 65 -13.158 -5.118 -1.261 1.00 0.00 N ATOM 1071 CA TYR A 65 -12.349 -5.458 -0.099 1.00 0.00 C ATOM 1072 C TYR A 65 -13.196 -5.438 1.167 1.00 0.00 C ATOM 1073 O TYR A 65 -13.012 -6.261 2.068 1.00 0.00 O ATOM 1074 CB TYR A 65 -11.181 -4.478 0.037 1.00 0.00 C ATOM 1075 CG TYR A 65 -10.162 -4.864 1.091 1.00 0.00 C ATOM 1076 CD1 TYR A 65 -9.117 -5.726 0.784 1.00 0.00 C ATOM 1077 CD2 TYR A 65 -10.240 -4.361 2.384 1.00 0.00 C ATOM 1078 CE1 TYR A 65 -8.179 -6.077 1.736 1.00 0.00 C ATOM 1079 CE2 TYR A 65 -9.305 -4.708 3.341 1.00 0.00 C ATOM 1080 CZ TYR A 65 -8.278 -5.565 3.012 1.00 0.00 C ATOM 1081 OH TYR A 65 -7.344 -5.909 3.961 1.00 0.00 O ATOM 0 H TYR A 65 -12.889 -4.250 -1.724 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.954 -6.464 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -10.677 -4.396 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.576 -3.491 0.275 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -9.036 -6.128 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -11.044 -3.688 2.645 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -7.373 -6.749 1.482 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.379 -4.309 4.342 1.00 0.00 H new ATOM 0 HH TYR A 65 -7.557 -5.462 4.807 1.00 0.00 H new ATOM 1091 N ASP A 66 -14.139 -4.506 1.213 1.00 0.00 N ATOM 1092 CA ASP A 66 -14.943 -4.286 2.407 1.00 0.00 C ATOM 1093 C ASP A 66 -15.910 -5.444 2.639 1.00 0.00 C ATOM 1094 O ASP A 66 -16.025 -5.953 3.755 1.00 0.00 O ATOM 1095 CB ASP A 66 -15.723 -2.976 2.274 1.00 0.00 C ATOM 1096 CG ASP A 66 -15.896 -2.264 3.597 1.00 0.00 C ATOM 1097 OD1 ASP A 66 -14.931 -1.615 4.054 1.00 0.00 O ATOM 1098 OD2 ASP A 66 -17.001 -2.327 4.177 1.00 0.00 O ATOM 0 H ASP A 66 -14.366 -3.888 0.434 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.272 -4.225 3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.204 -2.318 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.704 -3.184 1.847 1.00 0.00 H new ATOM 1103 N ARG A 67 -16.588 -5.880 1.584 1.00 0.00 N ATOM 1104 CA ARG A 67 -17.555 -6.964 1.713 1.00 0.00 C ATOM 1105 C ARG A 67 -16.904 -8.343 1.605 1.00 0.00 C ATOM 1106 O ARG A 67 -17.387 -9.300 2.204 1.00 0.00 O ATOM 1107 CB ARG A 67 -18.656 -6.813 0.671 1.00 0.00 C ATOM 1108 CG ARG A 67 -18.163 -6.855 -0.762 1.00 0.00 C ATOM 1109 CD ARG A 67 -19.119 -6.110 -1.667 1.00 0.00 C ATOM 1110 NE ARG A 67 -20.484 -6.623 -1.539 1.00 0.00 N ATOM 1111 CZ ARG A 67 -21.583 -5.900 -1.744 1.00 0.00 C ATOM 1112 NH1 ARG A 67 -21.493 -4.642 -2.167 1.00 0.00 N ATOM 1113 NH2 ARG A 67 -22.776 -6.443 -1.529 1.00 0.00 N ATOM 0 H ARG A 67 -16.489 -5.505 0.641 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.988 -6.893 2.711 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.389 -7.607 0.815 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.173 -5.868 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -17.170 -6.410 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.071 -7.890 -1.092 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -19.103 -5.048 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -18.789 -6.202 -2.702 1.00 0.00 H new ATOM 0 HE ARG A 67 -20.601 -7.601 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -20.578 -4.225 -2.337 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.339 -4.094 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -22.846 -7.409 -1.209 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -23.622 -5.894 -1.684 1.00 0.00 H new ATOM 1127 N TYR A 68 -15.787 -8.435 0.892 1.00 0.00 N ATOM 1128 CA TYR A 68 -15.158 -9.731 0.621 1.00 0.00 C ATOM 1129 C TYR A 68 -14.137 -10.045 1.705 1.00 0.00 C ATOM 1130 O TYR A 68 -13.342 -10.980 1.597 1.00 0.00 O ATOM 1131 CB TYR A 68 -14.489 -9.702 -0.758 1.00 0.00 C ATOM 1132 CG TYR A 68 -14.217 -11.058 -1.370 1.00 0.00 C ATOM 1133 CD1 TYR A 68 -15.257 -11.834 -1.860 1.00 0.00 C ATOM 1134 CD2 TYR A 68 -12.922 -11.551 -1.482 1.00 0.00 C ATOM 1135 CE1 TYR A 68 -15.018 -13.062 -2.441 1.00 0.00 C ATOM 1136 CE2 TYR A 68 -12.675 -12.777 -2.068 1.00 0.00 C ATOM 1137 CZ TYR A 68 -13.727 -13.528 -2.544 1.00 0.00 C ATOM 1138 OH TYR A 68 -13.488 -14.748 -3.132 1.00 0.00 O ATOM 0 H TYR A 68 -15.297 -7.635 0.491 1.00 0.00 H new ATOM 0 HA TYR A 68 -15.918 -10.512 0.624 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.122 -9.134 -1.439 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -13.545 -9.163 -0.675 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -16.271 -11.471 -1.785 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -12.096 -10.966 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.840 -13.655 -2.813 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -11.663 -13.145 -2.153 1.00 0.00 H new ATOM 0 HH TYR A 68 -12.525 -14.930 -3.127 1.00 0.00 H new ATOM 1148 N GLY A 69 -14.161 -9.234 2.749 1.00 0.00 N ATOM 1149 CA GLY A 69 -13.365 -9.505 3.921 1.00 0.00 C ATOM 1150 C GLY A 69 -14.125 -10.351 4.912 1.00 0.00 C ATOM 1151 O GLY A 69 -13.630 -11.371 5.398 1.00 0.00 O ATOM 0 H GLY A 69 -14.724 -8.385 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -12.447 -10.016 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.072 -8.566 4.390 1.00 0.00 H new ATOM 1155 N ARG A 70 -15.338 -9.907 5.205 1.00 0.00 N ATOM 1156 CA ARG A 70 -16.216 -10.591 6.151 1.00 0.00 C ATOM 1157 C ARG A 70 -16.627 -11.971 5.647 1.00 0.00 C ATOM 1158 O ARG A 70 -16.572 -12.949 6.394 1.00 0.00 O ATOM 1159 CB ARG A 70 -17.465 -9.748 6.420 1.00 0.00 C ATOM 1160 CG ARG A 70 -17.174 -8.395 7.051 1.00 0.00 C ATOM 1161 CD ARG A 70 -16.367 -8.527 8.336 1.00 0.00 C ATOM 1162 NE ARG A 70 -16.897 -9.567 9.218 1.00 0.00 N ATOM 1163 CZ ARG A 70 -16.579 -9.699 10.505 1.00 0.00 C ATOM 1164 NH1 ARG A 70 -15.802 -8.805 11.104 1.00 0.00 N ATOM 1165 NH2 ARG A 70 -17.050 -10.725 11.193 1.00 0.00 N ATOM 0 H ARG A 70 -15.743 -9.065 4.797 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.657 -10.723 7.077 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -17.995 -9.593 5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.134 -10.307 7.075 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -16.627 -7.774 6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -18.113 -7.884 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.330 -8.756 8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -16.367 -7.572 8.862 1.00 0.00 H new ATOM 0 HE ARG A 70 -17.555 -10.237 8.820 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -15.443 -8.008 10.579 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -15.564 -8.915 12.090 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.653 -11.410 10.738 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.810 -10.831 12.179 1.00 0.00 H new ATOM 1179 N GLU A 71 -17.042 -12.051 4.389 1.00 0.00 N ATOM 1180 CA GLU A 71 -17.473 -13.320 3.816 1.00 0.00 C ATOM 1181 C GLU A 71 -16.272 -14.230 3.574 1.00 0.00 C ATOM 1182 O GLU A 71 -16.154 -15.253 4.280 1.00 0.00 O ATOM 1183 CB GLU A 71 -18.281 -13.107 2.524 1.00 0.00 C ATOM 1184 CG GLU A 71 -17.602 -12.219 1.491 1.00 0.00 C ATOM 1185 CD GLU A 71 -18.449 -12.002 0.253 1.00 0.00 C ATOM 1186 OE1 GLU A 71 -19.417 -11.213 0.312 1.00 0.00 O ATOM 1187 OE2 GLU A 71 -18.151 -12.615 -0.793 1.00 0.00 O ATOM 0 H GLU A 71 -17.089 -11.258 3.749 1.00 0.00 H new ATOM 0 HA GLU A 71 -18.133 -13.809 4.533 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -18.482 -14.079 2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -19.245 -12.670 2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -17.374 -11.254 1.943 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -16.652 -12.668 1.201 1.00 0.00 H new TER 1194 GLU A 71