USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 832 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 55 HIS : no HD1:sc= 0.792 K(o=-1.9,f=-9.1) USER MOD Set 1.2: A 106 LYS NZ :NH3+ -158:sc= -2.71! (180deg=-6.41!) USER MOD Set 2.1: A 28 ASN : amide:sc= -2.96 K(o=-2.1,f=-4.9!) USER MOD Set 2.2: A 54 SER OG : rot 107:sc= 0.886 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 56:sc= -0.464 USER MOD Single : A 20 ASN : amide:sc= -0.158 K(o=-0.16,f=-0.92) USER MOD Single : A 25 THR OG1 : rot -97:sc= -0.49! USER MOD Single : A 26 THR OG1 : rot -89:sc= 1.07 USER MOD Single : A 27 ASN : amide:sc= -4.37! C(o=-4.4!,f=-3.3!) USER MOD Single : A 30 MET CE :methyl -143:sc= -0.352 (180deg=-1.43!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 24:sc= 0.074 USER MOD Single : A 52 THR OG1 : rot -110:sc= -0.0732 USER MOD Single : A 56 TYR OH : rot -100:sc= 1.3 USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.033) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -60:sc= 0.238 USER MOD Single : A 71 LYS NZ :NH3+ -131:sc= 0 (180deg=-1.37!) USER MOD Single : A 76 THR OG1 : rot -31:sc= -3.68! USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.102 (180deg=0.037) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -8.41! C(o=-8.4!,f=-2.9!) USER MOD Single : A 95 MET CE :methyl 163:sc= -1.39 (180deg=-2.02) USER MOD Single : A 98 HIS : no HD1:sc= -0.925 K(o=-0.92,f=-6.5!) USER MOD Single : A 103 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 59 N PRO A 5 -16.274 -8.151 -12.882 1.00 0.00 N ATOM 60 CA PRO A 5 -15.897 -8.367 -11.460 1.00 0.00 C ATOM 61 C PRO A 5 -16.820 -7.593 -10.521 1.00 0.00 C ATOM 62 O PRO A 5 -17.791 -8.146 -10.005 1.00 0.00 O ATOM 63 CB PRO A 5 -14.441 -7.875 -11.383 1.00 0.00 C ATOM 64 CG PRO A 5 -13.908 -8.023 -12.776 1.00 0.00 C ATOM 65 CD PRO A 5 -15.100 -7.844 -13.723 1.00 0.00 C ATOM 0 HA PRO A 5 -15.992 -9.407 -11.148 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -14.392 -6.838 -11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.862 -8.466 -10.674 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -13.138 -7.278 -12.977 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -13.448 -9.002 -12.913 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.147 -6.829 -14.118 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.035 -8.517 -14.578 1.00 0.00 H new ATOM 73 N ARG A 6 -16.525 -6.306 -10.331 1.00 0.00 N ATOM 74 CA ARG A 6 -17.319 -5.439 -9.479 1.00 0.00 C ATOM 75 C ARG A 6 -17.302 -4.039 -10.075 1.00 0.00 C ATOM 76 O ARG A 6 -18.338 -3.480 -10.435 1.00 0.00 O ATOM 77 CB ARG A 6 -16.740 -5.392 -8.062 1.00 0.00 C ATOM 78 CG ARG A 6 -17.094 -6.679 -7.292 1.00 0.00 C ATOM 79 CD ARG A 6 -16.107 -6.871 -6.146 1.00 0.00 C ATOM 80 NE ARG A 6 -14.764 -6.915 -6.705 1.00 0.00 N ATOM 81 CZ ARG A 6 -13.711 -6.450 -6.036 1.00 0.00 C ATOM 82 NH1 ARG A 6 -13.848 -6.025 -4.809 1.00 0.00 N ATOM 83 NH2 ARG A 6 -12.540 -6.418 -6.608 1.00 0.00 N ATOM 0 H ARG A 6 -15.728 -5.842 -10.766 1.00 0.00 H new ATOM 0 HA ARG A 6 -18.337 -5.824 -9.421 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.657 -5.275 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -17.132 -4.524 -7.531 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -18.111 -6.616 -6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.061 -7.538 -7.962 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.194 -6.055 -5.429 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -16.325 -7.793 -5.607 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.626 -7.313 -7.634 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -14.764 -6.049 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.039 -5.669 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.432 -6.749 -7.567 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.732 -6.062 -6.097 1.00 0.00 H new ATOM 97 N LYS A 7 -16.090 -3.500 -10.191 1.00 0.00 N ATOM 98 CA LYS A 7 -15.877 -2.189 -10.763 1.00 0.00 C ATOM 99 C LYS A 7 -14.377 -1.895 -10.826 1.00 0.00 C ATOM 100 O LYS A 7 -13.767 -1.536 -9.830 1.00 0.00 O ATOM 101 CB LYS A 7 -16.593 -1.114 -9.909 1.00 0.00 C ATOM 102 CG LYS A 7 -17.647 -0.330 -10.738 1.00 0.00 C ATOM 103 CD LYS A 7 -17.697 1.130 -10.268 1.00 0.00 C ATOM 104 CE LYS A 7 -16.607 1.942 -10.984 1.00 0.00 C ATOM 105 NZ LYS A 7 -16.483 3.280 -10.343 1.00 0.00 N ATOM 0 H LYS A 7 -15.234 -3.966 -9.889 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.290 -2.167 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -17.080 -1.590 -9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -15.856 -0.419 -9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.394 -0.372 -11.797 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.628 -0.792 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -18.678 1.556 -10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -17.552 1.180 -9.189 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -15.655 1.414 -10.936 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -16.856 2.054 -12.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.745 3.830 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -17.391 3.783 -10.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.226 3.163 -9.342 1.00 0.00 H new ATOM 119 N ARG A 8 -13.796 -2.049 -12.000 1.00 0.00 N ATOM 120 CA ARG A 8 -12.377 -1.794 -12.181 1.00 0.00 C ATOM 121 C ARG A 8 -12.098 -0.299 -12.267 1.00 0.00 C ATOM 122 O ARG A 8 -12.622 0.392 -13.140 1.00 0.00 O ATOM 123 CB ARG A 8 -11.862 -2.485 -13.451 1.00 0.00 C ATOM 124 CG ARG A 8 -10.360 -2.225 -13.614 1.00 0.00 C ATOM 125 CD ARG A 8 -9.816 -3.073 -14.767 1.00 0.00 C ATOM 126 NE ARG A 8 -9.890 -4.490 -14.431 1.00 0.00 N ATOM 127 CZ ARG A 8 -9.571 -5.424 -15.321 1.00 0.00 C ATOM 128 NH1 ARG A 8 -9.179 -5.077 -16.517 1.00 0.00 N ATOM 129 NH2 ARG A 8 -9.650 -6.686 -15.000 1.00 0.00 N ATOM 0 H ARG A 8 -14.283 -2.350 -12.844 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.855 -2.200 -11.315 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.050 -3.557 -13.394 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.401 -2.113 -14.322 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.183 -1.168 -13.811 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.836 -2.469 -12.690 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.389 -2.877 -15.674 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -8.783 -2.795 -14.976 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.192 -4.769 -13.497 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -9.118 -4.090 -16.767 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.934 -5.793 -17.201 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.957 -6.956 -14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -9.405 -7.402 -15.684 1.00 0.00 H new ATOM 143 N VAL A 9 -11.259 0.198 -11.354 1.00 0.00 N ATOM 144 CA VAL A 9 -10.911 1.630 -11.340 1.00 0.00 C ATOM 145 C VAL A 9 -9.477 1.837 -11.805 1.00 0.00 C ATOM 146 O VAL A 9 -8.555 1.174 -11.329 1.00 0.00 O ATOM 147 CB VAL A 9 -11.027 2.211 -9.924 1.00 0.00 C ATOM 148 CG1 VAL A 9 -11.194 3.737 -9.965 1.00 0.00 C ATOM 149 CG2 VAL A 9 -12.222 1.588 -9.200 1.00 0.00 C ATOM 0 H VAL A 9 -10.812 -0.356 -10.624 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.607 2.134 -12.010 1.00 0.00 H new ATOM 0 HB VAL A 9 -10.108 1.976 -9.387 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -11.274 4.122 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -10.330 4.185 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.097 3.989 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.297 2.006 -8.196 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.136 1.805 -9.753 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -12.085 0.509 -9.135 1.00 0.00 H new ATOM 159 N ALA A 10 -9.296 2.780 -12.707 1.00 0.00 N ATOM 160 CA ALA A 10 -7.969 3.105 -13.209 1.00 0.00 C ATOM 161 C ALA A 10 -7.389 4.256 -12.385 1.00 0.00 C ATOM 162 O ALA A 10 -7.500 5.419 -12.773 1.00 0.00 O ATOM 163 CB ALA A 10 -8.060 3.521 -14.680 1.00 0.00 C ATOM 0 H ALA A 10 -10.049 3.337 -13.110 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.323 2.231 -13.125 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.064 3.763 -15.052 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.476 2.701 -15.265 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.704 4.395 -14.772 1.00 0.00 H new ATOM 169 N LEU A 11 -6.797 3.936 -11.226 1.00 0.00 N ATOM 170 CA LEU A 11 -6.245 4.984 -10.350 1.00 0.00 C ATOM 171 C LEU A 11 -4.735 5.132 -10.553 1.00 0.00 C ATOM 172 O LEU A 11 -3.968 4.211 -10.279 1.00 0.00 O ATOM 173 CB LEU A 11 -6.532 4.607 -8.885 1.00 0.00 C ATOM 174 CG LEU A 11 -6.646 5.878 -8.009 1.00 0.00 C ATOM 175 CD1 LEU A 11 -6.844 5.509 -6.521 1.00 0.00 C ATOM 176 CD2 LEU A 11 -5.376 6.722 -8.155 1.00 0.00 C ATOM 0 H LEU A 11 -6.688 2.984 -10.877 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.716 5.935 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.457 4.033 -8.826 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.735 3.967 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.512 6.447 -8.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.921 6.420 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.757 4.925 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.993 4.922 -6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.460 7.616 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.513 6.139 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.250 7.013 -9.198 1.00 0.00 H new ATOM 188 N PHE A 12 -4.314 6.303 -11.035 1.00 0.00 N ATOM 189 CA PHE A 12 -2.897 6.563 -11.272 1.00 0.00 C ATOM 190 C PHE A 12 -2.300 7.297 -10.080 1.00 0.00 C ATOM 191 O PHE A 12 -2.540 8.488 -9.889 1.00 0.00 O ATOM 192 CB PHE A 12 -2.728 7.439 -12.516 1.00 0.00 C ATOM 193 CG PHE A 12 -3.669 6.964 -13.598 1.00 0.00 C ATOM 194 CD1 PHE A 12 -3.266 5.966 -14.494 1.00 0.00 C ATOM 195 CD2 PHE A 12 -4.950 7.522 -13.701 1.00 0.00 C ATOM 196 CE1 PHE A 12 -4.145 5.525 -15.492 1.00 0.00 C ATOM 197 CE2 PHE A 12 -5.827 7.081 -14.700 1.00 0.00 C ATOM 198 CZ PHE A 12 -5.425 6.083 -15.594 1.00 0.00 C ATOM 0 H PHE A 12 -4.932 7.081 -11.267 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.388 5.610 -11.417 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.935 8.481 -12.271 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.698 7.393 -12.869 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.278 5.537 -14.416 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.261 8.292 -13.010 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.835 4.755 -16.183 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.814 7.512 -14.780 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.102 5.743 -16.363 1.00 0.00 H new ATOM 208 N THR A 13 -1.515 6.591 -9.296 1.00 0.00 N ATOM 209 CA THR A 13 -0.881 7.203 -8.135 1.00 0.00 C ATOM 210 C THR A 13 0.054 8.312 -8.617 1.00 0.00 C ATOM 211 O THR A 13 1.259 8.113 -8.770 1.00 0.00 O ATOM 212 CB THR A 13 -0.109 6.129 -7.322 1.00 0.00 C ATOM 213 OG1 THR A 13 -0.205 4.882 -7.996 1.00 0.00 O ATOM 214 CG2 THR A 13 -0.710 5.988 -5.918 1.00 0.00 C ATOM 0 H THR A 13 -1.298 5.604 -9.433 1.00 0.00 H new ATOM 0 HA THR A 13 -1.635 7.635 -7.477 1.00 0.00 H new ATOM 0 HB THR A 13 0.934 6.432 -7.232 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.120 4.981 -8.915 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.158 5.231 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 13 -0.644 6.943 -5.397 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.755 5.689 -5.998 1.00 0.00 H new ATOM 222 N ASP A 14 -0.531 9.480 -8.876 1.00 0.00 N ATOM 223 CA ASP A 14 0.226 10.631 -9.367 1.00 0.00 C ATOM 224 C ASP A 14 0.236 11.754 -8.330 1.00 0.00 C ATOM 225 O ASP A 14 -0.153 12.884 -8.627 1.00 0.00 O ATOM 226 CB ASP A 14 -0.414 11.133 -10.667 1.00 0.00 C ATOM 227 CG ASP A 14 -1.781 11.744 -10.379 1.00 0.00 C ATOM 228 OD1 ASP A 14 -2.364 11.394 -9.366 1.00 0.00 O ATOM 229 OD2 ASP A 14 -2.224 12.556 -11.175 1.00 0.00 O ATOM 0 H ASP A 14 -1.528 9.655 -8.754 1.00 0.00 H new ATOM 0 HA ASP A 14 1.256 10.326 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.232 11.875 -11.136 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -0.517 10.308 -11.372 1.00 0.00 H new ATOM 234 N GLY A 15 0.674 11.427 -7.112 1.00 0.00 N ATOM 235 CA GLY A 15 0.727 12.400 -6.019 1.00 0.00 C ATOM 236 C GLY A 15 1.064 13.801 -6.526 1.00 0.00 C ATOM 237 O GLY A 15 0.181 14.539 -6.964 1.00 0.00 O ATOM 0 H GLY A 15 0.998 10.494 -6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.233 12.421 -5.503 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.474 12.087 -5.289 1.00 0.00 H new ATOM 241 N ALA A 16 2.346 14.152 -6.470 1.00 0.00 N ATOM 242 CA ALA A 16 2.797 15.463 -6.934 1.00 0.00 C ATOM 243 C ALA A 16 4.319 15.547 -6.877 1.00 0.00 C ATOM 244 O ALA A 16 4.972 15.861 -7.872 1.00 0.00 O ATOM 245 CB ALA A 16 2.191 16.573 -6.071 1.00 0.00 C ATOM 0 H ALA A 16 3.088 13.552 -6.110 1.00 0.00 H new ATOM 0 HA ALA A 16 2.468 15.594 -7.965 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.537 17.542 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.104 16.530 -6.133 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.501 16.438 -5.035 1.00 0.00 H new ATOM 251 N ALA A 17 4.874 15.265 -5.701 1.00 0.00 N ATOM 252 CA ALA A 17 6.322 15.307 -5.507 1.00 0.00 C ATOM 253 C ALA A 17 6.809 16.749 -5.369 1.00 0.00 C ATOM 254 O ALA A 17 7.198 17.382 -6.349 1.00 0.00 O ATOM 255 CB ALA A 17 7.032 14.613 -6.678 1.00 0.00 C ATOM 0 H ALA A 17 4.344 15.005 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 17 6.562 14.777 -4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.110 14.650 -6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 17 6.709 13.573 -6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.781 15.122 -7.609 1.00 0.00 H new ATOM 261 N LEU A 18 6.775 17.250 -4.138 1.00 0.00 N ATOM 262 CA LEU A 18 7.202 18.616 -3.845 1.00 0.00 C ATOM 263 C LEU A 18 7.097 18.904 -2.354 1.00 0.00 C ATOM 264 O LEU A 18 7.166 20.057 -1.928 1.00 0.00 O ATOM 265 CB LEU A 18 6.335 19.619 -4.620 1.00 0.00 C ATOM 266 CG LEU A 18 4.824 19.389 -4.316 1.00 0.00 C ATOM 267 CD1 LEU A 18 4.323 20.362 -3.236 1.00 0.00 C ATOM 268 CD2 LEU A 18 4.002 19.614 -5.590 1.00 0.00 C ATOM 0 H LEU A 18 6.454 16.728 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 18 8.242 18.720 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.615 20.637 -4.348 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.516 19.514 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 18 4.705 18.366 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.266 20.179 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.890 20.210 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.457 21.388 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.946 19.453 -5.375 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.149 20.635 -5.942 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.326 18.915 -6.361 1.00 0.00 H new ATOM 280 N GLY A 19 6.909 17.853 -1.569 1.00 0.00 N ATOM 281 CA GLY A 19 6.760 18.003 -0.133 1.00 0.00 C ATOM 282 C GLY A 19 7.867 18.871 0.433 1.00 0.00 C ATOM 283 O GLY A 19 8.959 18.948 -0.130 1.00 0.00 O ATOM 0 H GLY A 19 6.856 16.891 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.791 18.448 0.093 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.780 17.023 0.344 1.00 0.00 H new ATOM 287 N ASN A 20 7.589 19.507 1.565 1.00 0.00 N ATOM 288 CA ASN A 20 8.593 20.351 2.214 1.00 0.00 C ATOM 289 C ASN A 20 9.952 19.636 2.189 1.00 0.00 C ATOM 290 O ASN A 20 10.958 20.229 1.803 1.00 0.00 O ATOM 291 CB ASN A 20 8.163 20.697 3.664 1.00 0.00 C ATOM 292 CG ASN A 20 8.220 22.207 3.903 1.00 0.00 C ATOM 293 OD1 ASN A 20 9.053 22.897 3.317 1.00 0.00 O ATOM 294 ND2 ASN A 20 7.376 22.757 4.727 1.00 0.00 N ATOM 0 H ASN A 20 6.692 19.458 2.049 1.00 0.00 H new ATOM 0 HA ASN A 20 8.683 21.291 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 20 7.151 20.334 3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.816 20.187 4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.404 23.764 4.889 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.687 22.181 5.211 1.00 0.00 H new ATOM 301 N PRO A 21 9.992 18.369 2.543 1.00 0.00 N ATOM 302 CA PRO A 21 11.248 17.567 2.498 1.00 0.00 C ATOM 303 C PRO A 21 11.737 17.468 1.065 1.00 0.00 C ATOM 304 O PRO A 21 12.891 17.762 0.755 1.00 0.00 O ATOM 305 CB PRO A 21 10.814 16.184 3.028 1.00 0.00 C ATOM 306 CG PRO A 21 9.581 16.457 3.808 1.00 0.00 C ATOM 307 CD PRO A 21 8.874 17.549 3.024 1.00 0.00 C ATOM 0 HA PRO A 21 12.064 17.998 3.079 1.00 0.00 H new ATOM 0 HB2 PRO A 21 10.621 15.488 2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 21 11.588 15.737 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.960 15.565 3.896 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.816 16.783 4.821 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.286 17.142 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 21 8.191 18.122 3.651 1.00 0.00 H new ATOM 315 N GLY A 22 10.820 17.043 0.199 1.00 0.00 N ATOM 316 CA GLY A 22 11.107 16.883 -1.213 1.00 0.00 C ATOM 317 C GLY A 22 10.687 15.488 -1.691 1.00 0.00 C ATOM 318 O GLY A 22 10.390 14.613 -0.879 1.00 0.00 O ATOM 0 H GLY A 22 9.864 16.803 0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.579 17.645 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.172 17.030 -1.393 1.00 0.00 H new ATOM 322 N PRO A 23 10.694 15.251 -2.981 1.00 0.00 N ATOM 323 CA PRO A 23 10.345 13.917 -3.564 1.00 0.00 C ATOM 324 C PRO A 23 11.154 12.783 -2.941 1.00 0.00 C ATOM 325 O PRO A 23 10.865 11.608 -3.155 1.00 0.00 O ATOM 326 CB PRO A 23 10.732 14.083 -5.032 1.00 0.00 C ATOM 327 CG PRO A 23 10.566 15.522 -5.314 1.00 0.00 C ATOM 328 CD PRO A 23 11.023 16.223 -4.045 1.00 0.00 C ATOM 0 HA PRO A 23 9.301 13.653 -3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 23 11.759 13.763 -5.207 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.095 13.479 -5.678 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.164 15.828 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 23 9.529 15.762 -5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.090 16.446 -4.070 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.503 17.170 -3.899 1.00 0.00 H new ATOM 336 N GLY A 24 12.196 13.174 -2.227 1.00 0.00 N ATOM 337 CA GLY A 24 13.120 12.240 -1.587 1.00 0.00 C ATOM 338 C GLY A 24 12.439 10.971 -1.063 1.00 0.00 C ATOM 339 O GLY A 24 13.117 9.993 -0.783 1.00 0.00 O ATOM 0 H GLY A 24 12.430 14.154 -2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 24 13.894 11.959 -2.302 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.619 12.744 -0.759 1.00 0.00 H new ATOM 343 N THR A 25 11.112 10.993 -0.952 1.00 0.00 N ATOM 344 CA THR A 25 10.335 9.850 -0.495 1.00 0.00 C ATOM 345 C THR A 25 8.915 10.288 -0.090 1.00 0.00 C ATOM 346 O THR A 25 8.088 9.449 0.274 1.00 0.00 O ATOM 347 CB THR A 25 11.035 9.163 0.694 1.00 0.00 C ATOM 348 OG1 THR A 25 11.980 10.048 1.279 1.00 0.00 O ATOM 349 CG2 THR A 25 11.743 7.871 0.251 1.00 0.00 C ATOM 0 H THR A 25 10.546 11.810 -1.179 1.00 0.00 H new ATOM 0 HA THR A 25 10.260 9.138 -1.317 1.00 0.00 H new ATOM 0 HB THR A 25 10.273 8.903 1.429 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.873 9.855 0.924 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.228 7.409 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.011 7.180 -0.168 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.492 8.107 -0.504 1.00 0.00 H new ATOM 357 N THR A 26 8.632 11.584 -0.163 1.00 0.00 N ATOM 358 CA THR A 26 7.324 12.086 0.181 1.00 0.00 C ATOM 359 C THR A 26 6.341 11.780 -0.933 1.00 0.00 C ATOM 360 O THR A 26 5.178 11.518 -0.687 1.00 0.00 O ATOM 361 CB THR A 26 7.376 13.584 0.429 1.00 0.00 C ATOM 362 OG1 THR A 26 8.007 14.223 -0.672 1.00 0.00 O ATOM 363 CG2 THR A 26 8.161 13.869 1.707 1.00 0.00 C ATOM 0 H THR A 26 9.297 12.299 -0.458 1.00 0.00 H new ATOM 0 HA THR A 26 6.993 11.593 1.095 1.00 0.00 H new ATOM 0 HB THR A 26 6.362 13.968 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.974 14.260 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.196 14.945 1.881 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.673 13.381 2.550 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.176 13.485 1.604 1.00 0.00 H new ATOM 371 N ASN A 27 6.830 11.813 -2.157 1.00 0.00 N ATOM 372 CA ASN A 27 5.992 11.533 -3.312 1.00 0.00 C ATOM 373 C ASN A 27 5.427 10.135 -3.191 1.00 0.00 C ATOM 374 O ASN A 27 4.240 9.899 -3.409 1.00 0.00 O ATOM 375 CB ASN A 27 6.824 11.618 -4.587 1.00 0.00 C ATOM 376 CG ASN A 27 5.932 11.441 -5.814 1.00 0.00 C ATOM 377 OD1 ASN A 27 6.426 11.414 -6.941 1.00 0.00 O ATOM 378 ND2 ASN A 27 4.641 11.321 -5.662 1.00 0.00 N ATOM 0 H ASN A 27 7.801 12.030 -2.380 1.00 0.00 H new ATOM 0 HA ASN A 27 5.184 12.263 -3.353 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.332 12.581 -4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.597 10.850 -4.577 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.040 11.205 -6.478 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.233 11.344 -4.727 1.00 0.00 H new ATOM 385 N ASN A 28 6.299 9.215 -2.819 1.00 0.00 N ATOM 386 CA ASN A 28 5.907 7.824 -2.639 1.00 0.00 C ATOM 387 C ASN A 28 4.902 7.728 -1.499 1.00 0.00 C ATOM 388 O ASN A 28 3.889 7.034 -1.601 1.00 0.00 O ATOM 389 CB ASN A 28 7.141 6.981 -2.318 1.00 0.00 C ATOM 390 CG ASN A 28 8.213 7.209 -3.379 1.00 0.00 C ATOM 391 OD1 ASN A 28 8.331 6.433 -4.325 1.00 0.00 O ATOM 392 ND2 ASN A 28 9.002 8.244 -3.278 1.00 0.00 N ATOM 0 H ASN A 28 7.284 9.404 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 28 5.450 7.450 -3.555 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.528 7.246 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.872 5.925 -2.281 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.718 8.410 -3.985 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.902 8.887 -2.492 1.00 0.00 H new ATOM 399 N ARG A 29 5.182 8.458 -0.423 1.00 0.00 N ATOM 400 CA ARG A 29 4.312 8.499 0.722 1.00 0.00 C ATOM 401 C ARG A 29 3.008 9.181 0.334 1.00 0.00 C ATOM 402 O ARG A 29 1.928 8.775 0.759 1.00 0.00 O ATOM 403 CB ARG A 29 5.023 9.262 1.827 1.00 0.00 C ATOM 404 CG ARG A 29 4.198 9.260 3.086 1.00 0.00 C ATOM 405 CD ARG A 29 4.934 10.058 4.162 1.00 0.00 C ATOM 406 NE ARG A 29 4.115 10.145 5.355 1.00 0.00 N ATOM 407 CZ ARG A 29 4.603 10.618 6.499 1.00 0.00 C ATOM 408 NH1 ARG A 29 5.844 11.017 6.562 1.00 0.00 N ATOM 409 NH2 ARG A 29 3.841 10.688 7.556 1.00 0.00 N ATOM 0 H ARG A 29 6.020 9.033 -0.332 1.00 0.00 H new ATOM 0 HA ARG A 29 4.077 7.495 1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.995 8.809 2.022 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.207 10.288 1.508 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.218 9.699 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.029 8.238 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.885 9.579 4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.163 11.058 3.793 1.00 0.00 H new ATOM 0 HE ARG A 29 3.143 9.837 5.317 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.439 10.966 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.219 11.380 7.438 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.870 10.380 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.216 11.051 8.432 1.00 0.00 H new ATOM 423 N MET A 30 3.119 10.220 -0.492 1.00 0.00 N ATOM 424 CA MET A 30 1.948 10.943 -0.952 1.00 0.00 C ATOM 425 C MET A 30 1.116 10.041 -1.847 1.00 0.00 C ATOM 426 O MET A 30 -0.108 9.998 -1.738 1.00 0.00 O ATOM 427 CB MET A 30 2.408 12.185 -1.707 1.00 0.00 C ATOM 428 CG MET A 30 3.048 13.178 -0.718 1.00 0.00 C ATOM 429 SD MET A 30 1.835 14.433 -0.217 1.00 0.00 S ATOM 430 CE MET A 30 1.590 15.222 -1.829 1.00 0.00 C ATOM 0 H MET A 30 4.005 10.574 -0.852 1.00 0.00 H new ATOM 0 HA MET A 30 1.331 11.248 -0.107 1.00 0.00 H new ATOM 0 HB2 MET A 30 3.127 11.909 -2.479 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.562 12.652 -2.211 1.00 0.00 H new ATOM 0 HG2 MET A 30 3.414 12.644 0.159 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.910 13.659 -1.181 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.463 16.296 -1.693 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.459 15.037 -2.461 1.00 0.00 H new ATOM 0 HE3 MET A 30 0.701 14.809 -2.305 1.00 0.00 H new ATOM 440 N GLU A 31 1.796 9.286 -2.701 1.00 0.00 N ATOM 441 CA GLU A 31 1.111 8.348 -3.569 1.00 0.00 C ATOM 442 C GLU A 31 0.498 7.264 -2.701 1.00 0.00 C ATOM 443 O GLU A 31 -0.570 6.731 -3.004 1.00 0.00 O ATOM 444 CB GLU A 31 2.086 7.732 -4.579 1.00 0.00 C ATOM 445 CG GLU A 31 2.409 8.754 -5.671 1.00 0.00 C ATOM 446 CD GLU A 31 3.459 8.191 -6.623 1.00 0.00 C ATOM 447 OE1 GLU A 31 3.786 7.024 -6.488 1.00 0.00 O ATOM 448 OE2 GLU A 31 3.924 8.937 -7.469 1.00 0.00 O ATOM 0 H GLU A 31 2.810 9.307 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 31 0.334 8.865 -4.133 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.001 7.423 -4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.649 6.837 -5.022 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.504 9.006 -6.224 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.774 9.677 -5.220 1.00 0.00 H new ATOM 455 N LEU A 32 1.177 6.969 -1.593 1.00 0.00 N ATOM 456 CA LEU A 32 0.700 5.988 -0.652 1.00 0.00 C ATOM 457 C LEU A 32 -0.485 6.578 0.101 1.00 0.00 C ATOM 458 O LEU A 32 -1.469 5.893 0.380 1.00 0.00 O ATOM 459 CB LEU A 32 1.826 5.620 0.324 1.00 0.00 C ATOM 460 CG LEU A 32 1.417 4.398 1.167 1.00 0.00 C ATOM 461 CD1 LEU A 32 1.677 3.097 0.395 1.00 0.00 C ATOM 462 CD2 LEU A 32 2.215 4.349 2.481 1.00 0.00 C ATOM 0 H LEU A 32 2.062 7.405 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 32 0.387 5.083 -1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.740 5.401 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.043 6.466 0.977 1.00 0.00 H new ATOM 0 HG LEU A 32 0.353 4.494 1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.382 2.245 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.097 3.099 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.738 3.021 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.909 3.478 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.280 4.281 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.022 5.254 3.058 1.00 0.00 H new ATOM 474 N LYS A 33 -0.377 7.868 0.411 1.00 0.00 N ATOM 475 CA LYS A 33 -1.438 8.571 1.116 1.00 0.00 C ATOM 476 C LYS A 33 -2.707 8.553 0.273 1.00 0.00 C ATOM 477 O LYS A 33 -3.800 8.264 0.768 1.00 0.00 O ATOM 478 CB LYS A 33 -1.000 10.018 1.382 1.00 0.00 C ATOM 479 CG LYS A 33 -2.080 10.782 2.189 1.00 0.00 C ATOM 480 CD LYS A 33 -2.964 11.627 1.256 1.00 0.00 C ATOM 481 CE LYS A 33 -3.871 12.527 2.094 1.00 0.00 C ATOM 482 NZ LYS A 33 -4.793 13.279 1.197 1.00 0.00 N ATOM 0 H LYS A 33 0.434 8.444 0.184 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.638 8.078 2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.059 10.022 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.819 10.527 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.698 10.073 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -1.601 11.427 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.342 12.232 0.597 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.565 10.978 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.444 11.927 2.801 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.270 13.222 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.410 13.891 1.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.238 13.863 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.375 12.608 0.657 1.00 0.00 H new ATOM 496 N ALA A 34 -2.543 8.843 -1.012 1.00 0.00 N ATOM 497 CA ALA A 34 -3.666 8.844 -1.938 1.00 0.00 C ATOM 498 C ALA A 34 -4.236 7.436 -2.068 1.00 0.00 C ATOM 499 O ALA A 34 -5.425 7.256 -2.332 1.00 0.00 O ATOM 500 CB ALA A 34 -3.215 9.346 -3.311 1.00 0.00 C ATOM 0 H ALA A 34 -1.645 9.080 -1.435 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.438 9.509 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.063 9.343 -3.996 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.827 10.361 -3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.433 8.693 -3.698 1.00 0.00 H new ATOM 506 N ALA A 35 -3.375 6.441 -1.880 1.00 0.00 N ATOM 507 CA ALA A 35 -3.796 5.050 -1.977 1.00 0.00 C ATOM 508 C ALA A 35 -4.762 4.705 -0.852 1.00 0.00 C ATOM 509 O ALA A 35 -5.903 4.320 -1.106 1.00 0.00 O ATOM 510 CB ALA A 35 -2.577 4.124 -1.916 1.00 0.00 C ATOM 0 H ALA A 35 -2.387 6.572 -1.661 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.304 4.910 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.904 3.087 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.905 4.352 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.053 4.273 -0.972 1.00 0.00 H new ATOM 516 N ILE A 36 -4.318 4.862 0.396 1.00 0.00 N ATOM 517 CA ILE A 36 -5.188 4.556 1.530 1.00 0.00 C ATOM 518 C ILE A 36 -6.518 5.281 1.332 1.00 0.00 C ATOM 519 O ILE A 36 -7.583 4.719 1.574 1.00 0.00 O ATOM 520 CB ILE A 36 -4.501 4.947 2.884 1.00 0.00 C ATOM 521 CG1 ILE A 36 -5.280 6.058 3.621 1.00 0.00 C ATOM 522 CG2 ILE A 36 -3.068 5.424 2.624 1.00 0.00 C ATOM 523 CD1 ILE A 36 -4.538 6.503 4.881 1.00 0.00 C ATOM 0 H ILE A 36 -3.385 5.191 0.643 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.375 3.483 1.578 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.492 4.059 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.420 6.911 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.273 5.695 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.597 5.694 3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.499 4.624 2.150 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.088 6.294 1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.108 7.286 5.381 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.421 5.653 5.554 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.555 6.888 4.608 1.00 0.00 H new ATOM 535 N GLU A 37 -6.437 6.527 0.871 1.00 0.00 N ATOM 536 CA GLU A 37 -7.636 7.318 0.621 1.00 0.00 C ATOM 537 C GLU A 37 -8.375 6.771 -0.592 1.00 0.00 C ATOM 538 O GLU A 37 -9.604 6.736 -0.621 1.00 0.00 O ATOM 539 CB GLU A 37 -7.277 8.789 0.368 1.00 0.00 C ATOM 540 CG GLU A 37 -6.704 9.434 1.634 1.00 0.00 C ATOM 541 CD GLU A 37 -7.747 9.434 2.749 1.00 0.00 C ATOM 542 OE1 GLU A 37 -8.921 9.337 2.434 1.00 0.00 O ATOM 543 OE2 GLU A 37 -7.355 9.534 3.900 1.00 0.00 O ATOM 0 H GLU A 37 -5.561 7.006 0.665 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.273 7.255 1.503 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -6.550 8.857 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.164 9.334 0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.816 8.890 1.957 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.391 10.456 1.420 1.00 0.00 H new ATOM 550 N GLY A 38 -7.615 6.354 -1.600 1.00 0.00 N ATOM 551 CA GLY A 38 -8.214 5.825 -2.818 1.00 0.00 C ATOM 552 C GLY A 38 -8.855 4.463 -2.584 1.00 0.00 C ATOM 553 O GLY A 38 -9.476 3.901 -3.485 1.00 0.00 O ATOM 0 H GLY A 38 -6.595 6.372 -1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.966 6.523 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.451 5.740 -3.592 1.00 0.00 H new ATOM 557 N LEU A 39 -8.691 3.925 -1.375 1.00 0.00 N ATOM 558 CA LEU A 39 -9.254 2.623 -1.033 1.00 0.00 C ATOM 559 C LEU A 39 -10.136 2.756 0.205 1.00 0.00 C ATOM 560 O LEU A 39 -11.008 1.924 0.453 1.00 0.00 O ATOM 561 CB LEU A 39 -8.127 1.615 -0.749 1.00 0.00 C ATOM 562 CG LEU A 39 -7.019 1.664 -1.855 1.00 0.00 C ATOM 563 CD1 LEU A 39 -5.616 1.542 -1.236 1.00 0.00 C ATOM 564 CD2 LEU A 39 -7.208 0.505 -2.849 1.00 0.00 C ATOM 0 H LEU A 39 -8.173 4.372 -0.618 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.850 2.265 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.682 1.830 0.223 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.543 0.609 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.110 2.622 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.865 1.579 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.452 2.365 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.535 0.595 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.432 0.550 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.140 -0.444 -2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.187 0.587 -3.321 1.00 0.00 H new ATOM 576 N LYS A 40 -9.895 3.813 0.978 1.00 0.00 N ATOM 577 CA LYS A 40 -10.651 4.076 2.192 1.00 0.00 C ATOM 578 C LYS A 40 -11.731 5.117 1.918 1.00 0.00 C ATOM 579 O LYS A 40 -12.768 5.147 2.583 1.00 0.00 O ATOM 580 CB LYS A 40 -9.688 4.616 3.254 1.00 0.00 C ATOM 581 CG LYS A 40 -10.408 4.840 4.607 1.00 0.00 C ATOM 582 CD LYS A 40 -9.868 6.118 5.256 1.00 0.00 C ATOM 583 CE LYS A 40 -10.550 6.348 6.605 1.00 0.00 C ATOM 584 NZ LYS A 40 -10.007 7.587 7.231 1.00 0.00 N ATOM 0 H LYS A 40 -9.173 4.506 0.779 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.125 3.157 2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.864 3.916 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.255 5.555 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.484 4.923 4.451 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.246 3.986 5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.790 6.038 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.044 6.971 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.628 6.439 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -10.382 5.493 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.470 7.744 8.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.982 7.483 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.189 8.399 6.608 1.00 0.00 H new ATOM 598 N ALA A 41 -11.480 5.983 0.940 1.00 0.00 N ATOM 599 CA ALA A 41 -12.446 7.033 0.609 1.00 0.00 C ATOM 600 C ALA A 41 -13.501 6.520 -0.357 1.00 0.00 C ATOM 601 O ALA A 41 -14.313 7.290 -0.871 1.00 0.00 O ATOM 602 CB ALA A 41 -11.726 8.247 0.024 1.00 0.00 C ATOM 0 H ALA A 41 -10.634 5.983 0.371 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.951 7.334 1.527 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.455 9.021 -0.218 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.014 8.634 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.194 7.953 -0.881 1.00 0.00 H new ATOM 608 N LEU A 42 -13.481 5.214 -0.599 1.00 0.00 N ATOM 609 CA LEU A 42 -14.441 4.582 -1.510 1.00 0.00 C ATOM 610 C LEU A 42 -15.308 3.557 -0.775 1.00 0.00 C ATOM 611 O LEU A 42 -16.534 3.636 -0.821 1.00 0.00 O ATOM 612 CB LEU A 42 -13.672 3.901 -2.664 1.00 0.00 C ATOM 613 CG LEU A 42 -13.417 4.912 -3.834 1.00 0.00 C ATOM 614 CD1 LEU A 42 -11.967 4.804 -4.318 1.00 0.00 C ATOM 615 CD2 LEU A 42 -14.361 4.634 -5.024 1.00 0.00 C ATOM 0 H LEU A 42 -12.812 4.568 -0.179 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.103 5.350 -1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.721 3.516 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.241 3.047 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 42 -13.610 5.915 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.801 5.511 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -11.291 5.033 -3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.776 3.791 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -14.162 5.350 -5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.192 3.623 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.396 4.732 -4.698 1.00 0.00 H new ATOM 627 N LYS A 43 -14.656 2.590 -0.137 1.00 0.00 N ATOM 628 CA LYS A 43 -15.349 1.530 0.583 1.00 0.00 C ATOM 629 C LYS A 43 -16.222 0.748 -0.370 1.00 0.00 C ATOM 630 O LYS A 43 -17.169 0.074 0.035 1.00 0.00 O ATOM 631 CB LYS A 43 -16.188 2.133 1.712 1.00 0.00 C ATOM 632 CG LYS A 43 -15.268 2.588 2.869 1.00 0.00 C ATOM 633 CD LYS A 43 -15.855 3.826 3.560 1.00 0.00 C ATOM 634 CE LYS A 43 -15.002 4.185 4.775 1.00 0.00 C ATOM 635 NZ LYS A 43 -15.548 5.413 5.418 1.00 0.00 N ATOM 0 H LYS A 43 -13.639 2.520 -0.105 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.617 0.850 1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -16.761 2.981 1.337 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.906 1.398 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.154 1.780 3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.274 2.815 2.484 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.885 4.664 2.864 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -16.882 3.631 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.998 3.360 5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.968 4.349 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.968 5.659 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.530 6.199 4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.528 5.240 5.721 1.00 0.00 H new ATOM 649 N GLU A 44 -15.885 0.852 -1.649 1.00 0.00 N ATOM 650 CA GLU A 44 -16.612 0.161 -2.699 1.00 0.00 C ATOM 651 C GLU A 44 -15.764 -1.004 -3.232 1.00 0.00 C ATOM 652 O GLU A 44 -14.923 -0.796 -4.105 1.00 0.00 O ATOM 653 CB GLU A 44 -16.904 1.149 -3.842 1.00 0.00 C ATOM 654 CG GLU A 44 -18.186 1.934 -3.546 1.00 0.00 C ATOM 655 CD GLU A 44 -19.404 1.031 -3.722 1.00 0.00 C ATOM 656 OE1 GLU A 44 -19.579 0.512 -4.811 1.00 0.00 O ATOM 657 OE2 GLU A 44 -20.142 0.872 -2.763 1.00 0.00 O ATOM 0 H GLU A 44 -15.103 1.416 -1.984 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.549 -0.229 -2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.067 1.837 -3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.009 0.608 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.156 2.324 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -18.259 2.792 -4.214 1.00 0.00 H new ATOM 664 N PRO A 45 -15.946 -2.211 -2.739 1.00 0.00 N ATOM 665 CA PRO A 45 -15.148 -3.379 -3.213 1.00 0.00 C ATOM 666 C PRO A 45 -14.982 -3.356 -4.730 1.00 0.00 C ATOM 667 O PRO A 45 -15.898 -3.717 -5.469 1.00 0.00 O ATOM 668 CB PRO A 45 -15.982 -4.574 -2.747 1.00 0.00 C ATOM 669 CG PRO A 45 -16.638 -4.102 -1.492 1.00 0.00 C ATOM 670 CD PRO A 45 -16.914 -2.607 -1.698 1.00 0.00 C ATOM 0 HA PRO A 45 -14.130 -3.397 -2.824 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.719 -4.861 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -15.357 -5.448 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -17.563 -4.648 -1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -15.992 -4.265 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -17.941 -2.430 -2.018 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -16.765 -2.042 -0.778 1.00 0.00 H new ATOM 678 N ALA A 46 -13.814 -2.898 -5.193 1.00 0.00 N ATOM 679 CA ALA A 46 -13.563 -2.800 -6.640 1.00 0.00 C ATOM 680 C ALA A 46 -12.133 -3.182 -7.022 1.00 0.00 C ATOM 681 O ALA A 46 -11.224 -3.167 -6.191 1.00 0.00 O ATOM 682 CB ALA A 46 -13.887 -1.364 -7.095 1.00 0.00 C ATOM 0 H ALA A 46 -13.040 -2.594 -4.603 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.208 -3.516 -7.149 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.707 -1.272 -8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.933 -1.142 -6.883 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.251 -0.660 -6.558 1.00 0.00 H new ATOM 688 N GLU A 47 -11.957 -3.513 -8.312 1.00 0.00 N ATOM 689 CA GLU A 47 -10.642 -3.889 -8.831 1.00 0.00 C ATOM 690 C GLU A 47 -9.894 -2.640 -9.273 1.00 0.00 C ATOM 691 O GLU A 47 -9.867 -2.299 -10.442 1.00 0.00 O ATOM 692 CB GLU A 47 -10.790 -4.841 -10.024 1.00 0.00 C ATOM 693 CG GLU A 47 -11.328 -6.196 -9.555 1.00 0.00 C ATOM 694 CD GLU A 47 -11.264 -7.202 -10.699 1.00 0.00 C ATOM 695 OE1 GLU A 47 -10.941 -6.794 -11.803 1.00 0.00 O ATOM 696 OE2 GLU A 47 -11.545 -8.364 -10.456 1.00 0.00 O ATOM 0 H GLU A 47 -12.705 -3.526 -9.005 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.085 -4.394 -8.042 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.466 -4.409 -10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.826 -4.974 -10.514 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.743 -6.556 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.356 -6.089 -9.210 1.00 0.00 H new ATOM 703 N VAL A 48 -9.291 -1.953 -8.334 1.00 0.00 N ATOM 704 CA VAL A 48 -8.574 -0.733 -8.650 1.00 0.00 C ATOM 705 C VAL A 48 -7.208 -1.028 -9.234 1.00 0.00 C ATOM 706 O VAL A 48 -6.300 -1.475 -8.534 1.00 0.00 O ATOM 707 CB VAL A 48 -8.376 0.093 -7.372 1.00 0.00 C ATOM 708 CG1 VAL A 48 -8.054 1.568 -7.707 1.00 0.00 C ATOM 709 CG2 VAL A 48 -9.632 0.014 -6.481 1.00 0.00 C ATOM 0 H VAL A 48 -9.280 -2.213 -7.348 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.165 -0.184 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.529 -0.327 -6.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.919 2.130 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.139 1.616 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.877 2.000 -8.277 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.476 0.605 -5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.491 0.405 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.819 -1.024 -6.207 1.00 0.00 H new ATOM 719 N ASP A 49 -7.058 -0.729 -10.505 1.00 0.00 N ATOM 720 CA ASP A 49 -5.778 -0.918 -11.160 1.00 0.00 C ATOM 721 C ASP A 49 -4.851 0.218 -10.766 1.00 0.00 C ATOM 722 O ASP A 49 -4.543 1.099 -11.567 1.00 0.00 O ATOM 723 CB ASP A 49 -5.946 -0.969 -12.681 1.00 0.00 C ATOM 724 CG ASP A 49 -4.631 -1.373 -13.339 1.00 0.00 C ATOM 725 OD1 ASP A 49 -3.596 -1.156 -12.731 1.00 0.00 O ATOM 726 OD2 ASP A 49 -4.678 -1.893 -14.442 1.00 0.00 O ATOM 0 H ASP A 49 -7.796 -0.358 -11.103 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.349 -1.868 -10.843 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.728 -1.681 -12.945 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.264 0.005 -13.053 1.00 0.00 H new ATOM 731 N LEU A 50 -4.432 0.191 -9.506 1.00 0.00 N ATOM 732 CA LEU A 50 -3.565 1.222 -8.969 1.00 0.00 C ATOM 733 C LEU A 50 -2.212 1.209 -9.665 1.00 0.00 C ATOM 734 O LEU A 50 -1.375 0.350 -9.388 1.00 0.00 O ATOM 735 CB LEU A 50 -3.373 0.979 -7.457 1.00 0.00 C ATOM 736 CG LEU A 50 -2.922 2.273 -6.737 1.00 0.00 C ATOM 737 CD1 LEU A 50 -3.285 2.212 -5.244 1.00 0.00 C ATOM 738 CD2 LEU A 50 -1.403 2.462 -6.871 1.00 0.00 C ATOM 0 H LEU A 50 -4.682 -0.538 -8.838 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.026 2.195 -9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.307 0.623 -7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.631 0.196 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.437 3.113 -7.204 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.961 3.130 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.364 2.104 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.788 1.359 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.104 3.377 -6.359 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.890 1.611 -6.424 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.137 2.533 -7.926 1.00 0.00 H new ATOM 750 N TYR A 51 -1.982 2.184 -10.548 1.00 0.00 N ATOM 751 CA TYR A 51 -0.697 2.264 -11.236 1.00 0.00 C ATOM 752 C TYR A 51 0.264 3.100 -10.390 1.00 0.00 C ATOM 753 O TYR A 51 0.098 4.315 -10.276 1.00 0.00 O ATOM 754 CB TYR A 51 -0.840 2.896 -12.626 1.00 0.00 C ATOM 755 CG TYR A 51 -2.066 2.358 -13.331 1.00 0.00 C ATOM 756 CD1 TYR A 51 -1.973 1.219 -14.142 1.00 0.00 C ATOM 757 CD2 TYR A 51 -3.294 3.013 -13.195 1.00 0.00 C ATOM 758 CE1 TYR A 51 -3.105 0.731 -14.804 1.00 0.00 C ATOM 759 CE2 TYR A 51 -4.421 2.529 -13.857 1.00 0.00 C ATOM 760 CZ TYR A 51 -4.331 1.387 -14.660 1.00 0.00 C ATOM 761 OH TYR A 51 -5.450 0.910 -15.314 1.00 0.00 O ATOM 0 H TYR A 51 -2.652 2.911 -10.797 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.311 1.253 -11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.913 3.980 -12.533 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.049 2.686 -13.220 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.024 0.716 -14.256 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.369 3.895 -12.576 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.032 -0.150 -15.424 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.368 3.038 -13.750 1.00 0.00 H new ATOM 0 HH TYR A 51 -5.336 -0.044 -15.504 1.00 0.00 H new ATOM 771 N THR A 52 1.251 2.444 -9.772 1.00 0.00 N ATOM 772 CA THR A 52 2.211 3.139 -8.904 1.00 0.00 C ATOM 773 C THR A 52 3.633 3.020 -9.436 1.00 0.00 C ATOM 774 O THR A 52 4.222 1.944 -9.430 1.00 0.00 O ATOM 775 CB THR A 52 2.149 2.534 -7.496 1.00 0.00 C ATOM 776 OG1 THR A 52 3.362 2.809 -6.810 1.00 0.00 O ATOM 777 CG2 THR A 52 1.946 1.019 -7.591 1.00 0.00 C ATOM 0 H THR A 52 1.407 1.439 -9.855 1.00 0.00 H new ATOM 0 HA THR A 52 1.943 4.195 -8.879 1.00 0.00 H new ATOM 0 HB THR A 52 1.314 2.974 -6.951 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.871 1.979 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.903 0.594 -6.588 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.013 0.809 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.777 0.574 -8.138 1.00 0.00 H new ATOM 785 N ASP A 53 4.189 4.142 -9.880 1.00 0.00 N ATOM 786 CA ASP A 53 5.554 4.162 -10.406 1.00 0.00 C ATOM 787 C ASP A 53 6.531 4.600 -9.318 1.00 0.00 C ATOM 788 O ASP A 53 7.458 5.368 -9.576 1.00 0.00 O ATOM 789 CB ASP A 53 5.636 5.135 -11.586 1.00 0.00 C ATOM 790 CG ASP A 53 5.450 6.570 -11.101 1.00 0.00 C ATOM 791 OD1 ASP A 53 5.060 6.742 -9.956 1.00 0.00 O ATOM 792 OD2 ASP A 53 5.701 7.475 -11.879 1.00 0.00 O ATOM 0 H ASP A 53 3.720 5.048 -9.887 1.00 0.00 H new ATOM 0 HA ASP A 53 5.818 3.159 -10.739 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.601 5.034 -12.084 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.870 4.890 -12.322 1.00 0.00 H new ATOM 797 N SER A 54 6.317 4.103 -8.100 1.00 0.00 N ATOM 798 CA SER A 54 7.189 4.442 -6.967 1.00 0.00 C ATOM 799 C SER A 54 8.175 3.311 -6.678 1.00 0.00 C ATOM 800 O SER A 54 7.957 2.164 -7.068 1.00 0.00 O ATOM 801 CB SER A 54 6.346 4.730 -5.726 1.00 0.00 C ATOM 802 OG SER A 54 5.838 6.055 -5.806 1.00 0.00 O ATOM 0 H SER A 54 5.553 3.468 -7.869 1.00 0.00 H new ATOM 0 HA SER A 54 7.759 5.333 -7.230 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.525 4.016 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.949 4.612 -4.826 1.00 0.00 H new ATOM 0 HG SER A 54 4.880 6.026 -6.011 1.00 0.00 H new ATOM 808 N HIS A 55 9.276 3.657 -6.004 1.00 0.00 N ATOM 809 CA HIS A 55 10.318 2.684 -5.674 1.00 0.00 C ATOM 810 C HIS A 55 10.148 2.115 -4.270 1.00 0.00 C ATOM 811 O HIS A 55 11.001 1.371 -3.789 1.00 0.00 O ATOM 812 CB HIS A 55 11.689 3.350 -5.787 1.00 0.00 C ATOM 813 CG HIS A 55 11.952 3.724 -7.221 1.00 0.00 C ATOM 814 ND1 HIS A 55 12.148 2.773 -8.209 1.00 0.00 N ATOM 815 CD2 HIS A 55 12.057 4.942 -7.846 1.00 0.00 C ATOM 816 CE1 HIS A 55 12.357 3.427 -9.367 1.00 0.00 C ATOM 817 NE2 HIS A 55 12.312 4.752 -9.201 1.00 0.00 N ATOM 0 H HIS A 55 9.467 4.604 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 55 10.235 1.858 -6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 55 11.726 4.238 -5.156 1.00 0.00 H new ATOM 0 HB3 HIS A 55 12.464 2.672 -5.429 1.00 0.00 H new ATOM 0 HD2 HIS A 55 11.957 5.901 -7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 55 12.539 2.940 -10.314 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.438 5.470 -9.914 1.00 0.00 H new ATOM 825 N TYR A 56 9.050 2.471 -3.618 1.00 0.00 N ATOM 826 CA TYR A 56 8.769 1.991 -2.258 1.00 0.00 C ATOM 827 C TYR A 56 7.565 1.062 -2.266 1.00 0.00 C ATOM 828 O TYR A 56 7.593 -0.027 -1.692 1.00 0.00 O ATOM 829 CB TYR A 56 8.494 3.194 -1.344 1.00 0.00 C ATOM 830 CG TYR A 56 8.016 2.764 0.043 1.00 0.00 C ATOM 831 CD1 TYR A 56 8.630 1.702 0.740 1.00 0.00 C ATOM 832 CD2 TYR A 56 6.949 3.453 0.645 1.00 0.00 C ATOM 833 CE1 TYR A 56 8.176 1.342 2.011 1.00 0.00 C ATOM 834 CE2 TYR A 56 6.503 3.088 1.919 1.00 0.00 C ATOM 835 CZ TYR A 56 7.116 2.032 2.601 1.00 0.00 C ATOM 836 OH TYR A 56 6.677 1.675 3.858 1.00 0.00 O ATOM 0 H TYR A 56 8.336 3.090 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 56 9.632 1.438 -1.886 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.402 3.789 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.741 3.834 -1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.453 1.166 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.472 4.268 0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.647 0.526 2.539 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.684 3.622 2.377 1.00 0.00 H new ATOM 0 HH TYR A 56 5.870 1.124 3.779 1.00 0.00 H new ATOM 846 N LEU A 57 6.509 1.508 -2.931 1.00 0.00 N ATOM 847 CA LEU A 57 5.287 0.735 -3.037 1.00 0.00 C ATOM 848 C LEU A 57 5.559 -0.566 -3.790 1.00 0.00 C ATOM 849 O LEU A 57 5.090 -1.647 -3.405 1.00 0.00 O ATOM 850 CB LEU A 57 4.257 1.560 -3.813 1.00 0.00 C ATOM 851 CG LEU A 57 3.652 2.656 -2.914 1.00 0.00 C ATOM 852 CD1 LEU A 57 4.737 3.681 -2.539 1.00 0.00 C ATOM 853 CD2 LEU A 57 2.521 3.357 -3.674 1.00 0.00 C ATOM 0 H LEU A 57 6.478 2.409 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 57 4.913 0.498 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.729 2.016 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.466 0.908 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 57 3.260 2.206 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.304 4.453 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.542 3.179 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.135 4.138 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.087 4.134 -3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.918 3.806 -4.584 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.752 2.630 -3.934 1.00 0.00 H new ATOM 865 N LYS A 58 6.337 -0.445 -4.858 1.00 0.00 N ATOM 866 CA LYS A 58 6.696 -1.591 -5.677 1.00 0.00 C ATOM 867 C LYS A 58 7.664 -2.478 -4.913 1.00 0.00 C ATOM 868 O LYS A 58 7.386 -3.647 -4.646 1.00 0.00 O ATOM 869 CB LYS A 58 7.343 -1.083 -6.972 1.00 0.00 C ATOM 870 CG LYS A 58 7.846 -2.252 -7.828 1.00 0.00 C ATOM 871 CD LYS A 58 8.666 -1.700 -8.986 1.00 0.00 C ATOM 872 CE LYS A 58 9.081 -2.850 -9.907 1.00 0.00 C ATOM 873 NZ LYS A 58 9.947 -2.326 -11.000 1.00 0.00 N ATOM 0 H LYS A 58 6.732 0.440 -5.177 1.00 0.00 H new ATOM 0 HA LYS A 58 5.809 -2.176 -5.920 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.620 -0.497 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.173 -0.419 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.453 -2.927 -7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.004 -2.832 -8.206 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.083 -0.966 -9.542 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.549 -1.185 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.616 -3.610 -9.338 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.197 -3.330 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.270 -3.115 -11.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.406 -1.654 -11.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.771 -1.843 -10.589 1.00 0.00 H new ATOM 887 N LYS A 59 8.797 -1.895 -4.557 1.00 0.00 N ATOM 888 CA LYS A 59 9.826 -2.598 -3.812 1.00 0.00 C ATOM 889 C LYS A 59 9.201 -3.470 -2.729 1.00 0.00 C ATOM 890 O LYS A 59 9.624 -4.601 -2.511 1.00 0.00 O ATOM 891 CB LYS A 59 10.730 -1.544 -3.176 1.00 0.00 C ATOM 892 CG LYS A 59 11.843 -2.182 -2.334 1.00 0.00 C ATOM 893 CD LYS A 59 12.490 -1.092 -1.455 1.00 0.00 C ATOM 894 CE LYS A 59 11.835 -1.088 -0.066 1.00 0.00 C ATOM 895 NZ LYS A 59 12.397 0.025 0.746 1.00 0.00 N ATOM 0 H LYS A 59 9.028 -0.926 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 59 10.395 -3.249 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 59 11.174 -0.926 -3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 59 10.132 -0.883 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.435 -2.977 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.592 -2.638 -2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 59 13.561 -1.275 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.373 -0.116 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.755 -0.973 -0.162 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.011 -2.041 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.953 0.027 1.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.424 -0.104 0.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.207 0.931 0.272 1.00 0.00 H new ATOM 909 N ALA A 60 8.200 -2.933 -2.046 1.00 0.00 N ATOM 910 CA ALA A 60 7.536 -3.673 -0.986 1.00 0.00 C ATOM 911 C ALA A 60 6.750 -4.853 -1.559 1.00 0.00 C ATOM 912 O ALA A 60 7.168 -6.005 -1.447 1.00 0.00 O ATOM 913 CB ALA A 60 6.598 -2.737 -0.210 1.00 0.00 C ATOM 0 H ALA A 60 7.833 -1.995 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 60 8.293 -4.066 -0.307 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.102 -3.295 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.176 -1.922 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.849 -2.328 -0.888 1.00 0.00 H new ATOM 919 N PHE A 61 5.596 -4.561 -2.133 1.00 0.00 N ATOM 920 CA PHE A 61 4.725 -5.595 -2.681 1.00 0.00 C ATOM 921 C PHE A 61 5.487 -6.600 -3.559 1.00 0.00 C ATOM 922 O PHE A 61 5.226 -7.800 -3.495 1.00 0.00 O ATOM 923 CB PHE A 61 3.596 -4.926 -3.504 1.00 0.00 C ATOM 924 CG PHE A 61 2.264 -5.579 -3.194 1.00 0.00 C ATOM 925 CD1 PHE A 61 1.927 -6.802 -3.789 1.00 0.00 C ATOM 926 CD2 PHE A 61 1.375 -4.965 -2.302 1.00 0.00 C ATOM 927 CE1 PHE A 61 0.702 -7.408 -3.495 1.00 0.00 C ATOM 928 CE2 PHE A 61 0.150 -5.574 -2.007 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.187 -6.795 -2.605 1.00 0.00 C ATOM 0 H PHE A 61 5.236 -3.612 -2.234 1.00 0.00 H new ATOM 0 HA PHE A 61 4.306 -6.155 -1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.550 -3.862 -3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.812 -5.012 -4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 61 2.613 -7.276 -4.475 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.635 -4.023 -1.843 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.442 -8.350 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.535 -5.103 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.133 -7.264 -2.379 1.00 0.00 H new ATOM 939 N THR A 62 6.398 -6.111 -4.397 1.00 0.00 N ATOM 940 CA THR A 62 7.137 -7.004 -5.291 1.00 0.00 C ATOM 941 C THR A 62 7.953 -8.028 -4.506 1.00 0.00 C ATOM 942 O THR A 62 8.312 -9.077 -5.041 1.00 0.00 O ATOM 943 CB THR A 62 8.065 -6.205 -6.213 1.00 0.00 C ATOM 944 OG1 THR A 62 8.853 -5.314 -5.437 1.00 0.00 O ATOM 945 CG2 THR A 62 7.235 -5.411 -7.226 1.00 0.00 C ATOM 0 H THR A 62 6.640 -5.123 -4.477 1.00 0.00 H new ATOM 0 HA THR A 62 6.403 -7.536 -5.896 1.00 0.00 H new ATOM 0 HB THR A 62 8.718 -6.893 -6.749 1.00 0.00 H new ATOM 0 HG1 THR A 62 8.267 -4.693 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.901 -4.845 -7.878 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.638 -6.098 -7.825 1.00 0.00 H new ATOM 0 HG23 THR A 62 6.575 -4.723 -6.697 1.00 0.00 H new ATOM 953 N GLU A 63 8.226 -7.743 -3.236 1.00 0.00 N ATOM 954 CA GLU A 63 8.982 -8.688 -2.408 1.00 0.00 C ATOM 955 C GLU A 63 8.036 -9.720 -1.802 1.00 0.00 C ATOM 956 O GLU A 63 8.472 -10.730 -1.249 1.00 0.00 O ATOM 957 CB GLU A 63 9.738 -7.949 -1.297 1.00 0.00 C ATOM 958 CG GLU A 63 10.960 -7.242 -1.890 1.00 0.00 C ATOM 959 CD GLU A 63 11.594 -6.325 -0.848 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.114 -6.316 0.273 1.00 0.00 O ATOM 961 OE2 GLU A 63 12.548 -5.645 -1.187 1.00 0.00 O ATOM 0 H GLU A 63 7.944 -6.885 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 63 9.710 -9.198 -3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.082 -7.222 -0.818 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.051 -8.653 -0.526 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.688 -7.980 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.665 -6.662 -2.765 1.00 0.00 H new ATOM 968 N GLY A 64 6.738 -9.462 -1.929 1.00 0.00 N ATOM 969 CA GLY A 64 5.723 -10.374 -1.410 1.00 0.00 C ATOM 970 C GLY A 64 5.995 -10.768 0.040 1.00 0.00 C ATOM 971 O GLY A 64 5.275 -11.588 0.609 1.00 0.00 O ATOM 0 H GLY A 64 6.364 -8.630 -2.386 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.743 -9.903 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.691 -11.270 -2.029 1.00 0.00 H new ATOM 975 N TRP A 65 7.023 -10.176 0.643 1.00 0.00 N ATOM 976 CA TRP A 65 7.357 -10.469 2.030 1.00 0.00 C ATOM 977 C TRP A 65 6.515 -9.632 2.977 1.00 0.00 C ATOM 978 O TRP A 65 6.766 -9.600 4.183 1.00 0.00 O ATOM 979 CB TRP A 65 8.856 -10.233 2.269 1.00 0.00 C ATOM 980 CG TRP A 65 9.158 -8.846 2.753 1.00 0.00 C ATOM 981 CD1 TRP A 65 10.112 -8.572 3.660 1.00 0.00 C ATOM 982 CD2 TRP A 65 8.541 -7.566 2.413 1.00 0.00 C ATOM 983 NE1 TRP A 65 10.148 -7.214 3.888 1.00 0.00 N ATOM 984 CE2 TRP A 65 9.197 -6.550 3.150 1.00 0.00 C ATOM 985 CE3 TRP A 65 7.497 -7.178 1.554 1.00 0.00 C ATOM 986 CZ2 TRP A 65 8.836 -5.213 3.035 1.00 0.00 C ATOM 987 CZ3 TRP A 65 7.129 -5.835 1.443 1.00 0.00 C ATOM 988 CH2 TRP A 65 7.793 -4.851 2.184 1.00 0.00 C ATOM 0 H TRP A 65 7.635 -9.494 0.194 1.00 0.00 H new ATOM 0 HA TRP A 65 7.135 -11.517 2.230 1.00 0.00 H new ATOM 0 HB2 TRP A 65 9.220 -10.955 3.000 1.00 0.00 H new ATOM 0 HB3 TRP A 65 9.400 -10.416 1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 65 10.750 -9.302 4.135 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.800 -6.757 4.526 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.975 -7.925 0.975 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 9.361 -4.458 3.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.325 -5.554 0.779 1.00 0.00 H new ATOM 0 HH2 TRP A 65 7.499 -3.816 2.097 1.00 0.00 H new ATOM 999 N LEU A 66 5.522 -8.954 2.430 1.00 0.00 N ATOM 1000 CA LEU A 66 4.666 -8.127 3.249 1.00 0.00 C ATOM 1001 C LEU A 66 3.992 -9.049 4.266 1.00 0.00 C ATOM 1002 O LEU A 66 3.584 -8.659 5.365 1.00 0.00 O ATOM 1003 CB LEU A 66 3.637 -7.397 2.355 1.00 0.00 C ATOM 1004 CG LEU A 66 3.299 -6.005 2.930 1.00 0.00 C ATOM 1005 CD1 LEU A 66 2.511 -5.176 1.901 1.00 0.00 C ATOM 1006 CD2 LEU A 66 2.476 -6.147 4.217 1.00 0.00 C ATOM 0 H LEU A 66 5.293 -8.961 1.436 1.00 0.00 H new ATOM 0 HA LEU A 66 5.229 -7.356 3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.036 -7.291 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.728 -7.994 2.278 1.00 0.00 H new ATOM 0 HG LEU A 66 4.233 -5.492 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.280 -4.197 2.322 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.110 -5.051 0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.583 -5.691 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.245 -5.158 4.612 1.00 0.00 H new ATOM 0 HD22 LEU A 66 1.549 -6.677 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.049 -6.707 4.955 1.00 0.00 H new ATOM 1018 N GLU A 67 3.926 -10.308 3.887 1.00 0.00 N ATOM 1019 CA GLU A 67 3.373 -11.314 4.763 1.00 0.00 C ATOM 1020 C GLU A 67 4.288 -11.424 5.981 1.00 0.00 C ATOM 1021 O GLU A 67 3.839 -11.385 7.134 1.00 0.00 O ATOM 1022 CB GLU A 67 3.271 -12.652 4.005 1.00 0.00 C ATOM 1023 CG GLU A 67 3.326 -13.828 4.980 1.00 0.00 C ATOM 1024 CD GLU A 67 2.890 -15.114 4.289 1.00 0.00 C ATOM 1025 OE1 GLU A 67 2.888 -15.136 3.069 1.00 0.00 O ATOM 1026 OE2 GLU A 67 2.566 -16.060 4.988 1.00 0.00 O ATOM 0 H GLU A 67 4.247 -10.656 2.983 1.00 0.00 H new ATOM 0 HA GLU A 67 2.369 -11.047 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.340 -12.685 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.085 -12.731 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.339 -13.941 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.679 -13.630 5.835 1.00 0.00 H new ATOM 1033 N GLY A 68 5.585 -11.533 5.711 1.00 0.00 N ATOM 1034 CA GLY A 68 6.559 -11.622 6.782 1.00 0.00 C ATOM 1035 C GLY A 68 6.397 -10.418 7.695 1.00 0.00 C ATOM 1036 O GLY A 68 6.369 -10.551 8.916 1.00 0.00 O ATOM 0 H GLY A 68 5.978 -11.561 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.417 -12.544 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.569 -11.651 6.372 1.00 0.00 H new ATOM 1040 N TRP A 69 6.248 -9.239 7.087 1.00 0.00 N ATOM 1041 CA TRP A 69 6.057 -8.013 7.857 1.00 0.00 C ATOM 1042 C TRP A 69 5.073 -8.276 8.992 1.00 0.00 C ATOM 1043 O TRP A 69 5.376 -8.016 10.150 1.00 0.00 O ATOM 1044 CB TRP A 69 5.527 -6.874 6.955 1.00 0.00 C ATOM 1045 CG TRP A 69 6.611 -5.952 6.462 1.00 0.00 C ATOM 1046 CD1 TRP A 69 7.958 -6.178 6.448 1.00 0.00 C ATOM 1047 CD2 TRP A 69 6.419 -4.641 5.871 1.00 0.00 C ATOM 1048 NE1 TRP A 69 8.584 -5.069 5.913 1.00 0.00 N ATOM 1049 CE2 TRP A 69 7.678 -4.098 5.534 1.00 0.00 C ATOM 1050 CE3 TRP A 69 5.273 -3.875 5.605 1.00 0.00 C ATOM 1051 CZ2 TRP A 69 7.797 -2.837 4.948 1.00 0.00 C ATOM 1052 CZ3 TRP A 69 5.383 -2.611 5.015 1.00 0.00 C ATOM 1053 CH2 TRP A 69 6.645 -2.088 4.683 1.00 0.00 C ATOM 0 H TRP A 69 6.256 -9.110 6.075 1.00 0.00 H new ATOM 0 HA TRP A 69 7.018 -7.704 8.268 1.00 0.00 H new ATOM 0 HB2 TRP A 69 5.011 -7.308 6.098 1.00 0.00 H new ATOM 0 HB3 TRP A 69 4.790 -6.293 7.510 1.00 0.00 H new ATOM 0 HD1 TRP A 69 8.451 -7.073 6.797 1.00 0.00 H new ATOM 0 HE1 TRP A 69 9.595 -4.978 5.810 1.00 0.00 H new ATOM 0 HE3 TRP A 69 4.298 -4.265 5.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 8.771 -2.442 4.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.493 -2.034 4.813 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.725 -1.113 4.226 1.00 0.00 H new ATOM 1064 N ARG A 70 3.907 -8.817 8.651 1.00 0.00 N ATOM 1065 CA ARG A 70 2.895 -9.111 9.672 1.00 0.00 C ATOM 1066 C ARG A 70 3.466 -10.021 10.748 1.00 0.00 C ATOM 1067 O ARG A 70 3.218 -9.822 11.938 1.00 0.00 O ATOM 1068 CB ARG A 70 1.698 -9.801 9.032 1.00 0.00 C ATOM 1069 CG ARG A 70 0.933 -8.805 8.151 1.00 0.00 C ATOM 1070 CD ARG A 70 -0.168 -9.544 7.396 1.00 0.00 C ATOM 1071 NE ARG A 70 0.427 -10.508 6.477 1.00 0.00 N ATOM 1072 CZ ARG A 70 -0.338 -11.324 5.754 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -1.637 -11.237 5.835 1.00 0.00 N ATOM 1074 NH2 ARG A 70 0.207 -12.209 4.963 1.00 0.00 N ATOM 0 H ARG A 70 3.638 -9.058 7.697 1.00 0.00 H new ATOM 0 HA ARG A 70 2.586 -8.169 10.124 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.032 -10.648 8.433 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.039 -10.197 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.502 -8.015 8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.614 -8.326 7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.824 -10.056 8.100 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.784 -8.834 6.844 1.00 0.00 H new ATOM 0 HE ARG A 70 1.442 -10.558 6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.064 -10.545 6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.225 -11.861 5.282 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.223 -12.277 4.897 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.383 -12.832 4.411 1.00 0.00 H new ATOM 1088 N LYS A 71 4.232 -11.018 10.327 1.00 0.00 N ATOM 1089 CA LYS A 71 4.835 -11.955 11.278 1.00 0.00 C ATOM 1090 C LYS A 71 6.084 -11.339 11.909 1.00 0.00 C ATOM 1091 O LYS A 71 6.659 -11.891 12.847 1.00 0.00 O ATOM 1092 CB LYS A 71 5.196 -13.272 10.572 1.00 0.00 C ATOM 1093 CG LYS A 71 3.948 -14.151 10.393 1.00 0.00 C ATOM 1094 CD LYS A 71 3.027 -13.540 9.327 1.00 0.00 C ATOM 1095 CE LYS A 71 1.875 -14.502 9.010 1.00 0.00 C ATOM 1096 NZ LYS A 71 0.980 -13.878 7.995 1.00 0.00 N ATOM 0 H LYS A 71 4.451 -11.202 9.348 1.00 0.00 H new ATOM 0 HA LYS A 71 4.111 -12.165 12.065 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.640 -13.059 9.599 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.945 -13.809 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.241 -15.159 10.098 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.415 -14.238 11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.630 -12.589 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.596 -13.331 8.421 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.268 -15.447 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.314 -14.728 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.008 -13.950 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.234 -12.876 7.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.089 -14.372 7.086 1.00 0.00 H new ATOM 1110 N ARG A 72 6.494 -10.195 11.377 1.00 0.00 N ATOM 1111 CA ARG A 72 7.678 -9.485 11.866 1.00 0.00 C ATOM 1112 C ARG A 72 7.304 -8.383 12.848 1.00 0.00 C ATOM 1113 O ARG A 72 8.138 -7.554 13.210 1.00 0.00 O ATOM 1114 CB ARG A 72 8.394 -8.869 10.675 1.00 0.00 C ATOM 1115 CG ARG A 72 9.159 -9.952 9.913 1.00 0.00 C ATOM 1116 CD ARG A 72 9.726 -9.377 8.616 1.00 0.00 C ATOM 1117 NE ARG A 72 10.505 -10.395 7.927 1.00 0.00 N ATOM 1118 CZ ARG A 72 11.340 -10.083 6.940 1.00 0.00 C ATOM 1119 NH1 ARG A 72 11.462 -8.843 6.557 1.00 0.00 N ATOM 1120 NH2 ARG A 72 12.035 -11.020 6.354 1.00 0.00 N ATOM 0 H ARG A 72 6.022 -9.732 10.600 1.00 0.00 H new ATOM 0 HA ARG A 72 8.321 -10.195 12.387 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.673 -8.388 10.015 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.082 -8.095 11.014 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.967 -10.341 10.532 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.497 -10.789 9.691 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.915 -9.031 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.352 -8.512 8.834 1.00 0.00 H new ATOM 0 HE ARG A 72 10.408 -11.371 8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.917 -8.112 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.102 -8.604 5.800 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.937 -11.990 6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.676 -10.782 5.597 1.00 0.00 H new ATOM 1134 N GLY A 73 6.055 -8.374 13.270 1.00 0.00 N ATOM 1135 CA GLY A 73 5.597 -7.359 14.214 1.00 0.00 C ATOM 1136 C GLY A 73 5.793 -5.966 13.630 1.00 0.00 C ATOM 1137 O GLY A 73 5.546 -4.962 14.296 1.00 0.00 O ATOM 0 H GLY A 73 5.343 -9.046 12.982 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.544 -7.518 14.447 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.148 -7.449 15.150 1.00 0.00 H new ATOM 1141 N TRP A 74 6.229 -5.940 12.370 1.00 0.00 N ATOM 1142 CA TRP A 74 6.455 -4.707 11.620 1.00 0.00 C ATOM 1143 C TRP A 74 7.666 -3.922 12.090 1.00 0.00 C ATOM 1144 O TRP A 74 7.571 -2.974 12.868 1.00 0.00 O ATOM 1145 CB TRP A 74 5.178 -3.840 11.602 1.00 0.00 C ATOM 1146 CG TRP A 74 4.256 -4.432 10.592 1.00 0.00 C ATOM 1147 CD1 TRP A 74 3.917 -5.730 10.541 1.00 0.00 C ATOM 1148 CD2 TRP A 74 3.589 -3.790 9.481 1.00 0.00 C ATOM 1149 NE1 TRP A 74 3.131 -5.940 9.434 1.00 0.00 N ATOM 1150 CE2 TRP A 74 2.871 -4.771 8.762 1.00 0.00 C ATOM 1151 CE3 TRP A 74 3.543 -2.473 9.030 1.00 0.00 C ATOM 1152 CZ2 TRP A 74 2.129 -4.453 7.629 1.00 0.00 C ATOM 1153 CZ3 TRP A 74 2.803 -2.137 7.900 1.00 0.00 C ATOM 1154 CH2 TRP A 74 2.084 -3.133 7.189 1.00 0.00 C ATOM 0 H TRP A 74 6.437 -6.784 11.837 1.00 0.00 H new ATOM 0 HA TRP A 74 6.687 -5.003 10.597 1.00 0.00 H new ATOM 0 HB2 TRP A 74 4.710 -3.824 12.586 1.00 0.00 H new ATOM 0 HB3 TRP A 74 5.418 -2.808 11.346 1.00 0.00 H new ATOM 0 HD1 TRP A 74 4.214 -6.485 11.254 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.782 -6.854 9.146 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.086 -1.706 9.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 1.592 -5.224 7.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 2.776 -1.112 7.562 1.00 0.00 H new ATOM 0 HH2 TRP A 74 1.507 -2.869 6.315 1.00 0.00 H new ATOM 1165 N ARG A 75 8.803 -4.333 11.545 1.00 0.00 N ATOM 1166 CA ARG A 75 10.094 -3.705 11.804 1.00 0.00 C ATOM 1167 C ARG A 75 10.874 -3.704 10.496 1.00 0.00 C ATOM 1168 O ARG A 75 10.479 -4.372 9.541 1.00 0.00 O ATOM 1169 CB ARG A 75 10.890 -4.491 12.869 1.00 0.00 C ATOM 1170 CG ARG A 75 10.494 -4.059 14.295 1.00 0.00 C ATOM 1171 CD ARG A 75 9.267 -4.860 14.793 1.00 0.00 C ATOM 1172 NE ARG A 75 8.327 -3.954 15.428 1.00 0.00 N ATOM 1173 CZ ARG A 75 7.405 -4.398 16.280 1.00 0.00 C ATOM 1174 NH1 ARG A 75 7.335 -5.669 16.564 1.00 0.00 N ATOM 1175 NH2 ARG A 75 6.569 -3.559 16.831 1.00 0.00 N ATOM 0 H ARG A 75 8.857 -5.123 10.902 1.00 0.00 H new ATOM 0 HA ARG A 75 9.940 -2.693 12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.709 -5.559 12.747 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.958 -4.329 12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 75 11.334 -4.213 14.973 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.267 -2.993 14.307 1.00 0.00 H new ATOM 0 HD2 ARG A 75 8.789 -5.371 13.958 1.00 0.00 H new ATOM 0 HD3 ARG A 75 9.582 -5.628 15.499 1.00 0.00 H new ATOM 0 HE ARG A 75 8.374 -2.957 15.217 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.987 -6.324 16.133 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.628 -6.008 17.217 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.623 -2.565 16.608 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.862 -3.898 17.484 1.00 0.00 H new ATOM 1189 N THR A 76 11.986 -2.980 10.446 1.00 0.00 N ATOM 1190 CA THR A 76 12.793 -2.958 9.235 1.00 0.00 C ATOM 1191 C THR A 76 13.777 -4.106 9.265 1.00 0.00 C ATOM 1192 O THR A 76 13.985 -4.739 10.301 1.00 0.00 O ATOM 1193 CB THR A 76 13.553 -1.647 9.104 1.00 0.00 C ATOM 1194 OG1 THR A 76 14.463 -1.538 10.178 1.00 0.00 O ATOM 1195 CG2 THR A 76 12.560 -0.479 9.101 1.00 0.00 C ATOM 0 H THR A 76 12.343 -2.411 11.214 1.00 0.00 H new ATOM 0 HA THR A 76 12.126 -3.056 8.378 1.00 0.00 H new ATOM 0 HB THR A 76 14.110 -1.622 8.168 1.00 0.00 H new ATOM 0 HG1 THR A 76 14.096 -1.993 10.965 1.00 0.00 H new ATOM 0 HG21 THR A 76 13.104 0.461 9.007 1.00 0.00 H new ATOM 0 HG22 THR A 76 11.874 -0.587 8.261 1.00 0.00 H new ATOM 0 HG23 THR A 76 11.995 -0.480 10.033 1.00 0.00 H new ATOM 1203 N ALA A 77 14.374 -4.373 8.125 1.00 0.00 N ATOM 1204 CA ALA A 77 15.332 -5.463 8.027 1.00 0.00 C ATOM 1205 C ALA A 77 16.392 -5.357 9.113 1.00 0.00 C ATOM 1206 O ALA A 77 17.122 -6.313 9.375 1.00 0.00 O ATOM 1207 CB ALA A 77 15.999 -5.458 6.644 1.00 0.00 C ATOM 0 H ALA A 77 14.219 -3.859 7.258 1.00 0.00 H new ATOM 0 HA ALA A 77 14.793 -6.401 8.163 1.00 0.00 H new ATOM 0 HB1 ALA A 77 16.714 -6.278 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 77 15.239 -5.581 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.518 -4.512 6.494 1.00 0.00 H new ATOM 1213 N GLU A 78 16.479 -4.190 9.740 1.00 0.00 N ATOM 1214 CA GLU A 78 17.461 -3.976 10.799 1.00 0.00 C ATOM 1215 C GLU A 78 16.883 -4.350 12.156 1.00 0.00 C ATOM 1216 O GLU A 78 17.549 -4.985 12.974 1.00 0.00 O ATOM 1217 CB GLU A 78 17.901 -2.507 10.811 1.00 0.00 C ATOM 1218 CG GLU A 78 19.269 -2.381 11.475 1.00 0.00 C ATOM 1219 CD GLU A 78 19.727 -0.927 11.463 1.00 0.00 C ATOM 1220 OE1 GLU A 78 19.126 -0.143 10.747 1.00 0.00 O ATOM 1221 OE2 GLU A 78 20.672 -0.617 12.171 1.00 0.00 O ATOM 0 H GLU A 78 15.888 -3.384 9.537 1.00 0.00 H new ATOM 0 HA GLU A 78 18.323 -4.613 10.603 1.00 0.00 H new ATOM 0 HB2 GLU A 78 17.945 -2.123 9.792 1.00 0.00 H new ATOM 0 HB3 GLU A 78 17.169 -1.903 11.348 1.00 0.00 H new ATOM 0 HG2 GLU A 78 19.219 -2.746 12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 78 19.995 -3.003 10.951 1.00 0.00 H new ATOM 1228 N GLY A 79 15.637 -3.950 12.387 1.00 0.00 N ATOM 1229 CA GLY A 79 14.963 -4.241 13.651 1.00 0.00 C ATOM 1230 C GLY A 79 14.300 -2.999 14.222 1.00 0.00 C ATOM 1231 O GLY A 79 13.745 -3.029 15.320 1.00 0.00 O ATOM 0 H GLY A 79 15.073 -3.425 11.719 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.214 -5.017 13.496 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.684 -4.633 14.368 1.00 0.00 H new ATOM 1235 N LYS A 80 14.340 -1.909 13.463 1.00 0.00 N ATOM 1236 CA LYS A 80 13.714 -0.659 13.903 1.00 0.00 C ATOM 1237 C LYS A 80 12.336 -0.533 13.244 1.00 0.00 C ATOM 1238 O LYS A 80 12.148 -0.995 12.118 1.00 0.00 O ATOM 1239 CB LYS A 80 14.607 0.554 13.570 1.00 0.00 C ATOM 1240 CG LYS A 80 14.635 0.835 12.047 1.00 0.00 C ATOM 1241 CD LYS A 80 16.088 1.053 11.547 1.00 0.00 C ATOM 1242 CE LYS A 80 16.215 0.727 10.044 1.00 0.00 C ATOM 1243 NZ LYS A 80 17.118 1.720 9.399 1.00 0.00 N ATOM 0 H LYS A 80 14.793 -1.861 12.550 1.00 0.00 H new ATOM 0 HA LYS A 80 13.592 -0.677 14.986 1.00 0.00 H new ATOM 0 HB2 LYS A 80 14.239 1.434 14.097 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.621 0.370 13.926 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.184 -0.000 11.511 1.00 0.00 H new ATOM 0 HG3 LYS A 80 14.034 1.717 11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 80 16.385 2.087 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 80 16.770 0.423 12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 80 16.609 -0.280 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 80 15.233 0.750 9.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 16.986 1.691 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 16.894 2.673 9.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 18.106 1.491 9.628 1.00 0.00 H new ATOM 1257 N PRO A 81 11.367 0.045 13.912 1.00 0.00 N ATOM 1258 CA PRO A 81 9.997 0.179 13.350 1.00 0.00 C ATOM 1259 C PRO A 81 10.000 0.542 11.865 1.00 0.00 C ATOM 1260 O PRO A 81 10.974 1.076 11.336 1.00 0.00 O ATOM 1261 CB PRO A 81 9.350 1.294 14.184 1.00 0.00 C ATOM 1262 CG PRO A 81 10.133 1.368 15.472 1.00 0.00 C ATOM 1263 CD PRO A 81 11.466 0.625 15.258 1.00 0.00 C ATOM 0 HA PRO A 81 9.455 -0.765 13.404 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.383 2.246 13.653 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.300 1.074 14.379 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.315 2.406 15.749 1.00 0.00 H new ATOM 0 HG3 PRO A 81 9.570 0.915 16.288 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.314 1.306 15.333 1.00 0.00 H new ATOM 0 HD3 PRO A 81 11.612 -0.149 16.011 1.00 0.00 H new ATOM 1271 N VAL A 82 8.886 0.244 11.214 1.00 0.00 N ATOM 1272 CA VAL A 82 8.715 0.527 9.783 1.00 0.00 C ATOM 1273 C VAL A 82 8.162 1.938 9.610 1.00 0.00 C ATOM 1274 O VAL A 82 7.338 2.368 10.396 1.00 0.00 O ATOM 1275 CB VAL A 82 7.742 -0.505 9.146 1.00 0.00 C ATOM 1276 CG1 VAL A 82 8.155 -0.848 7.706 1.00 0.00 C ATOM 1277 CG2 VAL A 82 7.753 -1.796 9.971 1.00 0.00 C ATOM 0 H VAL A 82 8.077 -0.197 11.651 1.00 0.00 H new ATOM 0 HA VAL A 82 9.681 0.451 9.283 1.00 0.00 H new ATOM 0 HB VAL A 82 6.747 -0.061 9.134 1.00 0.00 H new ATOM 0 HG11 VAL A 82 7.455 -1.572 7.289 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.145 0.057 7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.159 -1.273 7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.071 -2.519 9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.761 -2.210 9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.435 -1.579 10.991 1.00 0.00 H new ATOM 1287 N LYS A 83 8.604 2.659 8.590 1.00 0.00 N ATOM 1288 CA LYS A 83 8.114 3.999 8.366 1.00 0.00 C ATOM 1289 C LYS A 83 6.801 3.936 7.601 1.00 0.00 C ATOM 1290 O LYS A 83 6.609 3.040 6.782 1.00 0.00 O ATOM 1291 CB LYS A 83 9.152 4.783 7.567 1.00 0.00 C ATOM 1292 CG LYS A 83 10.549 4.596 8.179 1.00 0.00 C ATOM 1293 CD LYS A 83 10.550 5.031 9.648 1.00 0.00 C ATOM 1294 CE LYS A 83 11.986 5.064 10.172 1.00 0.00 C ATOM 1295 NZ LYS A 83 11.986 5.536 11.587 1.00 0.00 N ATOM 0 H LYS A 83 9.295 2.337 7.913 1.00 0.00 H new ATOM 0 HA LYS A 83 7.943 4.498 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.154 4.446 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.890 5.841 7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.850 3.551 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.280 5.180 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.094 6.016 9.746 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.951 4.341 10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.431 4.071 10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.595 5.726 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.962 5.559 11.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.577 6.491 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.419 4.887 12.169 1.00 0.00 H new ATOM 1309 N ASN A 84 5.900 4.884 7.888 1.00 0.00 N ATOM 1310 CA ASN A 84 4.593 4.936 7.233 1.00 0.00 C ATOM 1311 C ASN A 84 3.712 3.782 7.699 1.00 0.00 C ATOM 1312 O ASN A 84 2.614 3.576 7.185 1.00 0.00 O ATOM 1313 CB ASN A 84 4.759 4.878 5.706 1.00 0.00 C ATOM 1314 CG ASN A 84 5.720 5.956 5.231 1.00 0.00 C ATOM 1315 OD1 ASN A 84 5.512 6.553 4.177 1.00 0.00 O ATOM 1316 ND2 ASN A 84 6.772 6.235 5.944 1.00 0.00 N ATOM 0 H ASN A 84 6.056 5.625 8.571 1.00 0.00 H new ATOM 0 HA ASN A 84 4.113 5.876 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.131 3.896 5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 84 3.790 5.009 5.224 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.427 6.951 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.942 5.738 6.818 1.00 0.00 H new ATOM 1323 N ARG A 85 4.215 3.023 8.662 1.00 0.00 N ATOM 1324 CA ARG A 85 3.475 1.863 9.181 1.00 0.00 C ATOM 1325 C ARG A 85 2.016 2.202 9.455 1.00 0.00 C ATOM 1326 O ARG A 85 1.158 1.326 9.507 1.00 0.00 O ATOM 1327 CB ARG A 85 4.149 1.331 10.467 1.00 0.00 C ATOM 1328 CG ARG A 85 3.812 2.181 11.725 1.00 0.00 C ATOM 1329 CD ARG A 85 4.794 3.343 11.873 1.00 0.00 C ATOM 1330 NE ARG A 85 4.571 4.026 13.135 1.00 0.00 N ATOM 1331 CZ ARG A 85 4.940 3.471 14.287 1.00 0.00 C ATOM 1332 NH1 ARG A 85 5.509 2.296 14.294 1.00 0.00 N ATOM 1333 NH2 ARG A 85 4.735 4.100 15.412 1.00 0.00 N ATOM 0 H ARG A 85 5.122 3.180 9.101 1.00 0.00 H new ATOM 0 HA ARG A 85 3.497 1.087 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.835 0.301 10.636 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.230 1.315 10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.795 2.566 11.648 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.848 1.552 12.615 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.818 2.972 11.827 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.670 4.042 11.045 1.00 0.00 H new ATOM 0 HE ARG A 85 4.126 4.944 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 85 5.671 1.803 13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 85 5.791 1.871 15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 85 4.291 5.018 15.409 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.018 3.673 16.294 1.00 0.00 H new ATOM 1347 N ASP A 86 1.753 3.478 9.649 1.00 0.00 N ATOM 1348 CA ASP A 86 0.404 3.943 9.936 1.00 0.00 C ATOM 1349 C ASP A 86 -0.433 3.992 8.667 1.00 0.00 C ATOM 1350 O ASP A 86 -1.604 3.594 8.658 1.00 0.00 O ATOM 1351 CB ASP A 86 0.463 5.333 10.577 1.00 0.00 C ATOM 1352 CG ASP A 86 -0.948 5.868 10.810 1.00 0.00 C ATOM 1353 OD1 ASP A 86 -1.878 5.081 10.746 1.00 0.00 O ATOM 1354 OD2 ASP A 86 -1.075 7.056 11.059 1.00 0.00 O ATOM 0 H ASP A 86 2.455 4.217 9.614 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.064 3.243 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.001 5.282 11.524 1.00 0.00 H new ATOM 0 HB3 ASP A 86 1.016 6.015 9.932 1.00 0.00 H new ATOM 1359 N LEU A 87 0.178 4.468 7.590 1.00 0.00 N ATOM 1360 CA LEU A 87 -0.514 4.558 6.327 1.00 0.00 C ATOM 1361 C LEU A 87 -0.739 3.164 5.812 1.00 0.00 C ATOM 1362 O LEU A 87 -1.823 2.829 5.353 1.00 0.00 O ATOM 1363 CB LEU A 87 0.326 5.356 5.324 1.00 0.00 C ATOM 1364 CG LEU A 87 0.810 6.670 5.967 1.00 0.00 C ATOM 1365 CD1 LEU A 87 1.642 7.481 4.958 1.00 0.00 C ATOM 1366 CD2 LEU A 87 -0.389 7.506 6.428 1.00 0.00 C ATOM 0 H LEU A 87 1.144 4.794 7.573 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.468 5.068 6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.182 4.763 5.001 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.265 5.573 4.434 1.00 0.00 H new ATOM 0 HG LEU A 87 1.430 6.425 6.829 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.978 8.407 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.508 6.896 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.030 7.715 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.034 8.432 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.021 7.740 5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.966 6.942 7.161 1.00 0.00 H new ATOM 1378 N TRP A 88 0.305 2.356 5.925 1.00 0.00 N ATOM 1379 CA TRP A 88 0.267 0.984 5.491 1.00 0.00 C ATOM 1380 C TRP A 88 -0.752 0.168 6.281 1.00 0.00 C ATOM 1381 O TRP A 88 -1.694 -0.374 5.714 1.00 0.00 O ATOM 1382 CB TRP A 88 1.651 0.410 5.722 1.00 0.00 C ATOM 1383 CG TRP A 88 2.578 0.840 4.656 1.00 0.00 C ATOM 1384 CD1 TRP A 88 3.630 1.641 4.844 1.00 0.00 C ATOM 1385 CD2 TRP A 88 2.557 0.497 3.250 1.00 0.00 C ATOM 1386 NE1 TRP A 88 4.261 1.838 3.636 1.00 0.00 N ATOM 1387 CE2 TRP A 88 3.632 1.149 2.618 1.00 0.00 C ATOM 1388 CE3 TRP A 88 1.709 -0.304 2.473 1.00 0.00 C ATOM 1389 CZ2 TRP A 88 3.862 1.014 1.255 1.00 0.00 C ATOM 1390 CZ3 TRP A 88 1.934 -0.448 1.097 1.00 0.00 C ATOM 1391 CH2 TRP A 88 3.009 0.213 0.487 1.00 0.00 C ATOM 0 H TRP A 88 1.200 2.642 6.322 1.00 0.00 H new ATOM 0 HA TRP A 88 -0.026 0.941 4.442 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.028 0.735 6.692 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.599 -0.678 5.749 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.936 2.065 5.789 1.00 0.00 H new ATOM 0 HE1 TRP A 88 5.089 2.420 3.509 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.877 -0.813 2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 4.693 1.524 0.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.278 -1.069 0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 88 3.179 0.104 -0.574 1.00 0.00 H new ATOM 1402 N GLU A 89 -0.539 0.069 7.589 1.00 0.00 N ATOM 1403 CA GLU A 89 -1.444 -0.712 8.431 1.00 0.00 C ATOM 1404 C GLU A 89 -2.893 -0.306 8.191 1.00 0.00 C ATOM 1405 O GLU A 89 -3.812 -1.116 8.336 1.00 0.00 O ATOM 1406 CB GLU A 89 -1.096 -0.521 9.911 1.00 0.00 C ATOM 1407 CG GLU A 89 0.201 -1.266 10.239 1.00 0.00 C ATOM 1408 CD GLU A 89 0.648 -0.928 11.658 1.00 0.00 C ATOM 1409 OE1 GLU A 89 -0.056 -0.183 12.320 1.00 0.00 O ATOM 1410 OE2 GLU A 89 1.691 -1.418 12.062 1.00 0.00 O ATOM 0 H GLU A 89 0.236 0.510 8.084 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.325 -1.763 8.167 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.983 0.540 10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.908 -0.893 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 89 0.048 -2.341 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.979 -0.990 9.528 1.00 0.00 H new ATOM 1417 N ALA A 90 -3.088 0.946 7.798 1.00 0.00 N ATOM 1418 CA ALA A 90 -4.433 1.447 7.519 1.00 0.00 C ATOM 1419 C ALA A 90 -4.831 1.092 6.092 1.00 0.00 C ATOM 1420 O ALA A 90 -5.938 0.618 5.844 1.00 0.00 O ATOM 1421 CB ALA A 90 -4.487 2.960 7.720 1.00 0.00 C ATOM 0 H ALA A 90 -2.342 1.629 7.665 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.134 0.980 8.210 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -5.494 3.319 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.225 3.200 8.750 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.781 3.442 7.044 1.00 0.00 H new ATOM 1427 N LEU A 91 -3.904 1.288 5.167 1.00 0.00 N ATOM 1428 CA LEU A 91 -4.137 0.955 3.785 1.00 0.00 C ATOM 1429 C LEU A 91 -4.364 -0.561 3.674 1.00 0.00 C ATOM 1430 O LEU A 91 -5.164 -1.017 2.872 1.00 0.00 O ATOM 1431 CB LEU A 91 -2.929 1.462 2.948 1.00 0.00 C ATOM 1432 CG LEU A 91 -2.606 0.514 1.789 1.00 0.00 C ATOM 1433 CD1 LEU A 91 -1.784 1.258 0.724 1.00 0.00 C ATOM 1434 CD2 LEU A 91 -1.816 -0.736 2.284 1.00 0.00 C ATOM 0 H LEU A 91 -2.981 1.678 5.358 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.030 1.440 3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.149 2.455 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.055 1.560 3.592 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.547 0.173 1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.556 0.580 -0.099 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.357 2.105 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.855 1.617 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.602 -1.389 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.880 -0.417 2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.413 -1.277 3.018 1.00 0.00 H new ATOM 1446 N LEU A 92 -3.663 -1.324 4.500 1.00 0.00 N ATOM 1447 CA LEU A 92 -3.802 -2.779 4.506 1.00 0.00 C ATOM 1448 C LEU A 92 -5.173 -3.177 5.044 1.00 0.00 C ATOM 1449 O LEU A 92 -5.837 -4.054 4.492 1.00 0.00 O ATOM 1450 CB LEU A 92 -2.698 -3.409 5.367 1.00 0.00 C ATOM 1451 CG LEU A 92 -2.717 -4.950 5.228 1.00 0.00 C ATOM 1452 CD1 LEU A 92 -2.037 -5.372 3.923 1.00 0.00 C ATOM 1453 CD2 LEU A 92 -1.981 -5.605 6.411 1.00 0.00 C ATOM 0 H LEU A 92 -2.991 -0.962 5.177 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.707 -3.144 3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.726 -3.022 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.839 -3.130 6.411 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.756 -5.278 5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.057 -6.458 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.566 -4.931 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.003 -5.027 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.003 -6.689 6.298 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.946 -5.263 6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.472 -5.327 7.344 1.00 0.00 H new ATOM 1465 N LEU A 93 -5.595 -2.516 6.112 1.00 0.00 N ATOM 1466 CA LEU A 93 -6.904 -2.793 6.700 1.00 0.00 C ATOM 1467 C LEU A 93 -7.988 -2.333 5.742 1.00 0.00 C ATOM 1468 O LEU A 93 -9.050 -2.945 5.625 1.00 0.00 O ATOM 1469 CB LEU A 93 -7.055 -2.069 8.045 1.00 0.00 C ATOM 1470 CG LEU A 93 -6.323 -2.838 9.162 1.00 0.00 C ATOM 1471 CD1 LEU A 93 -6.041 -1.891 10.330 1.00 0.00 C ATOM 1472 CD2 LEU A 93 -7.194 -3.995 9.666 1.00 0.00 C ATOM 0 H LEU A 93 -5.059 -1.790 6.588 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.996 -3.865 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.652 -1.059 7.967 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.111 -1.972 8.295 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.389 -3.233 8.763 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.523 -2.433 11.121 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.417 -1.066 9.987 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.982 -1.498 10.715 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.666 -4.531 10.455 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.131 -3.601 10.059 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.405 -4.677 8.842 1.00 0.00 H new ATOM 1484 N ALA A 94 -7.691 -1.240 5.071 1.00 0.00 N ATOM 1485 CA ALA A 94 -8.614 -0.653 4.107 1.00 0.00 C ATOM 1486 C ALA A 94 -8.568 -1.401 2.783 1.00 0.00 C ATOM 1487 O ALA A 94 -9.443 -1.217 1.951 1.00 0.00 O ATOM 1488 CB ALA A 94 -8.273 0.822 3.875 1.00 0.00 C ATOM 0 H ALA A 94 -6.812 -0.733 5.173 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.621 -0.731 4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.970 1.247 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.349 1.366 4.817 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.257 0.904 3.490 1.00 0.00 H new ATOM 1494 N MET A 95 -7.552 -2.246 2.593 1.00 0.00 N ATOM 1495 CA MET A 95 -7.422 -3.021 1.346 1.00 0.00 C ATOM 1496 C MET A 95 -8.043 -4.401 1.466 1.00 0.00 C ATOM 1497 O MET A 95 -8.029 -5.185 0.519 1.00 0.00 O ATOM 1498 CB MET A 95 -5.947 -3.159 0.947 1.00 0.00 C ATOM 1499 CG MET A 95 -5.512 -1.921 0.172 1.00 0.00 C ATOM 1500 SD MET A 95 -3.710 -1.906 -0.115 1.00 0.00 S ATOM 1501 CE MET A 95 -3.393 -3.669 -0.376 1.00 0.00 C ATOM 0 H MET A 95 -6.812 -2.414 3.275 1.00 0.00 H new ATOM 0 HA MET A 95 -7.961 -2.472 0.574 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.329 -3.280 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.806 -4.051 0.337 1.00 0.00 H new ATOM 0 HG2 MET A 95 -6.034 -1.888 -0.785 1.00 0.00 H new ATOM 0 HG3 MET A 95 -5.801 -1.026 0.723 1.00 0.00 H new ATOM 0 HE1 MET A 95 -2.421 -3.797 -0.853 1.00 0.00 H new ATOM 0 HE2 MET A 95 -3.397 -4.185 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 95 -4.170 -4.087 -1.016 1.00 0.00 H new ATOM 1511 N ALA A 96 -8.569 -4.691 2.622 1.00 0.00 N ATOM 1512 CA ALA A 96 -9.185 -5.995 2.850 1.00 0.00 C ATOM 1513 C ALA A 96 -10.461 -6.139 2.007 1.00 0.00 C ATOM 1514 O ALA A 96 -10.645 -7.147 1.325 1.00 0.00 O ATOM 1515 CB ALA A 96 -9.480 -6.204 4.357 1.00 0.00 C ATOM 0 H ALA A 96 -8.591 -4.059 3.422 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.486 -6.771 2.538 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.939 -7.181 4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.549 -6.151 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.160 -5.427 4.706 1.00 0.00 H new ATOM 1521 N PRO A 97 -11.340 -5.165 2.042 1.00 0.00 N ATOM 1522 CA PRO A 97 -12.621 -5.201 1.264 1.00 0.00 C ATOM 1523 C PRO A 97 -12.408 -5.202 -0.257 1.00 0.00 C ATOM 1524 O PRO A 97 -13.178 -5.817 -0.995 1.00 0.00 O ATOM 1525 CB PRO A 97 -13.357 -3.917 1.705 1.00 0.00 C ATOM 1526 CG PRO A 97 -12.695 -3.512 2.981 1.00 0.00 C ATOM 1527 CD PRO A 97 -11.237 -3.923 2.823 1.00 0.00 C ATOM 0 HA PRO A 97 -13.175 -6.118 1.463 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.273 -3.135 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -14.421 -4.103 1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -12.786 -2.439 3.148 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -13.153 -4.008 3.837 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.655 -3.163 2.302 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.755 -4.088 3.787 1.00 0.00 H new ATOM 1535 N HIS A 98 -11.383 -4.481 -0.721 1.00 0.00 N ATOM 1536 CA HIS A 98 -11.112 -4.377 -2.158 1.00 0.00 C ATOM 1537 C HIS A 98 -10.134 -5.444 -2.623 1.00 0.00 C ATOM 1538 O HIS A 98 -9.404 -6.032 -1.825 1.00 0.00 O ATOM 1539 CB HIS A 98 -10.508 -3.004 -2.467 1.00 0.00 C ATOM 1540 CG HIS A 98 -11.220 -1.953 -1.672 1.00 0.00 C ATOM 1541 ND1 HIS A 98 -12.540 -1.613 -1.899 1.00 0.00 N ATOM 1542 CD2 HIS A 98 -10.801 -1.167 -0.642 1.00 0.00 C ATOM 1543 CE1 HIS A 98 -12.867 -0.655 -1.013 1.00 0.00 C ATOM 1544 NE2 HIS A 98 -11.840 -0.344 -0.221 1.00 0.00 N ATOM 0 H HIS A 98 -10.732 -3.965 -0.129 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.058 -4.514 -2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -9.445 -3.000 -2.225 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -10.593 -2.789 -3.532 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -9.809 -1.181 -0.215 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -13.842 -0.194 -0.951 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -11.821 0.347 0.529 1.00 0.00 H new ATOM 1552 N ARG A 99 -10.107 -5.661 -3.937 1.00 0.00 N ATOM 1553 CA ARG A 99 -9.186 -6.632 -4.531 1.00 0.00 C ATOM 1554 C ARG A 99 -8.013 -5.882 -5.125 1.00 0.00 C ATOM 1555 O ARG A 99 -7.105 -6.476 -5.703 1.00 0.00 O ATOM 1556 CB ARG A 99 -9.886 -7.458 -5.613 1.00 0.00 C ATOM 1557 CG ARG A 99 -11.147 -8.121 -5.040 1.00 0.00 C ATOM 1558 CD ARG A 99 -10.770 -9.222 -4.041 1.00 0.00 C ATOM 1559 NE ARG A 99 -11.962 -9.962 -3.640 1.00 0.00 N ATOM 1560 CZ ARG A 99 -12.709 -9.569 -2.609 1.00 0.00 C ATOM 1561 NH1 ARG A 99 -12.399 -8.485 -1.950 1.00 0.00 N ATOM 1562 NH2 ARG A 99 -13.755 -10.265 -2.262 1.00 0.00 N ATOM 0 H ARG A 99 -10.708 -5.182 -4.608 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.840 -7.320 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.153 -6.818 -6.454 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.207 -8.220 -5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.767 -7.372 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.742 -8.545 -5.849 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.045 -9.900 -4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.293 -8.782 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.229 -10.798 -4.160 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.583 -7.937 -2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.972 -8.186 -1.161 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.001 -11.109 -2.779 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.328 -9.966 -1.473 1.00 0.00 H new ATOM 1576 N VAL A 100 -8.065 -4.566 -4.935 1.00 0.00 N ATOM 1577 CA VAL A 100 -7.030 -3.625 -5.394 1.00 0.00 C ATOM 1578 C VAL A 100 -5.859 -4.314 -6.089 1.00 0.00 C ATOM 1579 O VAL A 100 -5.132 -5.097 -5.479 1.00 0.00 O ATOM 1580 CB VAL A 100 -6.496 -2.877 -4.177 1.00 0.00 C ATOM 1581 CG1 VAL A 100 -5.853 -3.892 -3.203 1.00 0.00 C ATOM 1582 CG2 VAL A 100 -5.454 -1.842 -4.625 1.00 0.00 C ATOM 0 H VAL A 100 -8.838 -4.110 -4.450 1.00 0.00 H new ATOM 0 HA VAL A 100 -7.491 -2.957 -6.122 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.312 -2.359 -3.673 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.469 -3.365 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.602 -4.618 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.035 -4.409 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.073 -1.308 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.631 -2.349 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.917 -1.133 -5.311 1.00 0.00 H new ATOM 1592 N ARG A 101 -5.686 -4.008 -7.365 1.00 0.00 N ATOM 1593 CA ARG A 101 -4.603 -4.585 -8.155 1.00 0.00 C ATOM 1594 C ARG A 101 -3.397 -3.647 -8.143 1.00 0.00 C ATOM 1595 O ARG A 101 -3.554 -2.424 -8.087 1.00 0.00 O ATOM 1596 CB ARG A 101 -5.089 -4.771 -9.587 1.00 0.00 C ATOM 1597 CG ARG A 101 -6.215 -5.809 -9.632 1.00 0.00 C ATOM 1598 CD ARG A 101 -7.023 -5.617 -10.916 1.00 0.00 C ATOM 1599 NE ARG A 101 -8.011 -6.681 -11.061 1.00 0.00 N ATOM 1600 CZ ARG A 101 -7.651 -7.901 -11.444 1.00 0.00 C ATOM 1601 NH1 ARG A 101 -6.396 -8.162 -11.693 1.00 0.00 N ATOM 1602 NH2 ARG A 101 -8.551 -8.837 -11.573 1.00 0.00 N ATOM 0 H ARG A 101 -6.283 -3.361 -7.880 1.00 0.00 H new ATOM 0 HA ARG A 101 -4.309 -5.546 -7.732 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.444 -3.820 -9.985 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.262 -5.092 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.799 -6.816 -9.597 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.862 -5.700 -8.761 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.523 -4.649 -10.897 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.354 -5.614 -11.777 1.00 0.00 H new ATOM 0 HE ARG A 101 -8.993 -6.485 -10.865 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.693 -7.429 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.118 -9.098 -11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.531 -8.632 -11.380 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.274 -9.774 -11.867 1.00 0.00 H new ATOM 1616 N PHE A 102 -2.198 -4.223 -8.216 1.00 0.00 N ATOM 1617 CA PHE A 102 -0.961 -3.432 -8.235 1.00 0.00 C ATOM 1618 C PHE A 102 -0.364 -3.450 -9.643 1.00 0.00 C ATOM 1619 O PHE A 102 -0.174 -4.514 -10.233 1.00 0.00 O ATOM 1620 CB PHE A 102 0.056 -4.013 -7.233 1.00 0.00 C ATOM 1621 CG PHE A 102 -0.175 -3.455 -5.836 1.00 0.00 C ATOM 1622 CD1 PHE A 102 -1.448 -3.510 -5.251 1.00 0.00 C ATOM 1623 CD2 PHE A 102 0.897 -2.895 -5.120 1.00 0.00 C ATOM 1624 CE1 PHE A 102 -1.646 -3.007 -3.955 1.00 0.00 C ATOM 1625 CE2 PHE A 102 0.696 -2.399 -3.827 1.00 0.00 C ATOM 1626 CZ PHE A 102 -0.571 -2.455 -3.246 1.00 0.00 C ATOM 0 H PHE A 102 -2.053 -5.232 -8.263 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.191 -2.405 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.028 -5.100 -7.213 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.069 -3.778 -7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.276 -3.939 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.878 -2.847 -5.569 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.627 -3.046 -3.505 1.00 0.00 H new ATOM 0 HE2 PHE A 102 1.523 -1.972 -3.278 1.00 0.00 H new ATOM 0 HZ PHE A 102 -0.724 -2.072 -2.248 1.00 0.00 H new ATOM 1636 N HIS A 103 -0.073 -2.262 -10.176 1.00 0.00 N ATOM 1637 CA HIS A 103 0.503 -2.140 -11.521 1.00 0.00 C ATOM 1638 C HIS A 103 1.678 -1.163 -11.526 1.00 0.00 C ATOM 1639 O HIS A 103 1.503 0.026 -11.755 1.00 0.00 O ATOM 1640 CB HIS A 103 -0.578 -1.640 -12.496 1.00 0.00 C ATOM 1641 CG HIS A 103 -1.370 -2.802 -13.038 1.00 0.00 C ATOM 1642 ND1 HIS A 103 -1.136 -3.325 -14.299 1.00 0.00 N ATOM 1643 CD2 HIS A 103 -2.385 -3.553 -12.502 1.00 0.00 C ATOM 1644 CE1 HIS A 103 -1.992 -4.346 -14.480 1.00 0.00 C ATOM 1645 NE2 HIS A 103 -2.777 -4.529 -13.414 1.00 0.00 N ATOM 0 H HIS A 103 -0.225 -1.372 -9.701 1.00 0.00 H new ATOM 0 HA HIS A 103 0.865 -3.120 -11.832 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -1.244 -0.944 -11.986 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -0.113 -1.094 -13.317 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.815 -3.409 -11.522 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.039 -4.945 -15.377 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.506 -5.232 -13.294 1.00 0.00 H new ATOM 1653 N PHE A 104 2.878 -1.661 -11.299 1.00 0.00 N ATOM 1654 CA PHE A 104 4.038 -0.794 -11.304 1.00 0.00 C ATOM 1655 C PHE A 104 4.302 -0.295 -12.725 1.00 0.00 C ATOM 1656 O PHE A 104 4.920 -0.984 -13.534 1.00 0.00 O ATOM 1657 CB PHE A 104 5.267 -1.541 -10.751 1.00 0.00 C ATOM 1658 CG PHE A 104 4.819 -2.712 -9.904 1.00 0.00 C ATOM 1659 CD1 PHE A 104 4.464 -2.508 -8.567 1.00 0.00 C ATOM 1660 CD2 PHE A 104 4.760 -3.997 -10.457 1.00 0.00 C ATOM 1661 CE1 PHE A 104 4.050 -3.588 -7.781 1.00 0.00 C ATOM 1662 CE2 PHE A 104 4.344 -5.078 -9.671 1.00 0.00 C ATOM 1663 CZ PHE A 104 3.991 -4.874 -8.332 1.00 0.00 C ATOM 0 H PHE A 104 3.073 -2.645 -11.112 1.00 0.00 H new ATOM 0 HA PHE A 104 3.846 0.065 -10.661 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.890 -1.893 -11.573 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.878 -0.863 -10.156 1.00 0.00 H new ATOM 0 HD1 PHE A 104 4.510 -1.516 -8.141 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.035 -4.154 -11.489 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.776 -3.430 -6.748 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.295 -6.069 -10.098 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.673 -5.708 -7.724 1.00 0.00 H new ATOM 1673 N VAL A 105 3.820 0.911 -13.010 1.00 0.00 N ATOM 1674 CA VAL A 105 3.980 1.521 -14.316 1.00 0.00 C ATOM 1675 C VAL A 105 5.207 2.425 -14.315 1.00 0.00 C ATOM 1676 O VAL A 105 5.106 3.644 -14.233 1.00 0.00 O ATOM 1677 CB VAL A 105 2.702 2.318 -14.644 1.00 0.00 C ATOM 1678 CG1 VAL A 105 2.946 3.295 -15.808 1.00 0.00 C ATOM 1679 CG2 VAL A 105 1.583 1.337 -15.024 1.00 0.00 C ATOM 0 H VAL A 105 3.310 1.488 -12.341 1.00 0.00 H new ATOM 0 HA VAL A 105 4.129 0.757 -15.079 1.00 0.00 H new ATOM 0 HB VAL A 105 2.414 2.896 -13.766 1.00 0.00 H new ATOM 0 HG11 VAL A 105 2.029 3.845 -16.020 1.00 0.00 H new ATOM 0 HG12 VAL A 105 3.735 3.996 -15.535 1.00 0.00 H new ATOM 0 HG13 VAL A 105 3.247 2.737 -16.694 1.00 0.00 H new ATOM 0 HG21 VAL A 105 0.675 1.893 -15.258 1.00 0.00 H new ATOM 0 HG22 VAL A 105 1.888 0.757 -15.895 1.00 0.00 H new ATOM 0 HG23 VAL A 105 1.391 0.663 -14.189 1.00 0.00 H new ATOM 1689 N LYS A 106 6.369 1.802 -14.420 1.00 0.00 N ATOM 1690 CA LYS A 106 7.638 2.531 -14.449 1.00 0.00 C ATOM 1691 C LYS A 106 8.251 2.458 -15.845 1.00 0.00 C ATOM 1692 O LYS A 106 8.739 1.398 -16.202 1.00 0.00 O ATOM 1693 CB LYS A 106 8.614 1.928 -13.443 1.00 0.00 C ATOM 1694 CG LYS A 106 8.090 2.128 -12.023 1.00 0.00 C ATOM 1695 CD LYS A 106 9.081 1.524 -11.027 1.00 0.00 C ATOM 1696 CE LYS A 106 8.596 1.788 -9.602 1.00 0.00 C ATOM 1697 NZ LYS A 106 9.565 1.202 -8.632 1.00 0.00 N ATOM 0 H LYS A 106 6.466 0.789 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 106 7.445 3.572 -14.189 1.00 0.00 H new ATOM 0 HB2 LYS A 106 8.746 0.865 -13.644 1.00 0.00 H new ATOM 0 HB3 LYS A 106 9.593 2.396 -13.548 1.00 0.00 H new ATOM 0 HG2 LYS A 106 7.955 3.190 -11.820 1.00 0.00 H new ATOM 0 HG3 LYS A 106 7.114 1.656 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS A 106 9.176 0.452 -11.197 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.070 1.959 -11.172 1.00 0.00 H new ATOM 0 HE2 LYS A 106 8.498 2.860 -9.432 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.608 1.351 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.090 1.042 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.921 0.297 -9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 10.361 1.858 -8.497 1.00 0.00 H new