USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 721 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 65 HIS : no HE2:sc= -4.2! C(o=-4.4!,f=-7!) USER MOD Set 1.2: A 77 MET CE :methyl 144:sc= -0.195 (180deg=-1.14) USER MOD Set 2.1: A 61 THR OG1 : rot -80:sc= 0.537 USER MOD Set 2.2: A 62 SER OG : rot 180:sc= -0.575 USER MOD Single : A 14 SER OG : rot -34:sc= -0.0312 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.028) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.077) USER MOD Single : A 43 HIS : no HD1:sc= -0.0658 X(o=-0.066,f=-0.27) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0384 K(o=-0.038,f=-0.63) USER MOD Single : A 53 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 110:sc= -1.89! USER MOD Single : A 82 SER OG : rot 150:sc= -1.64! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -1.01 K(o=-1,f=-4.1!) USER MOD Single : A 98 CYS SG : rot 106:sc= -0.323 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -2.965 7.300 17.962 1.00 0.00 N ATOM 88 CA PRO A 9 -3.110 6.971 16.554 1.00 0.00 C ATOM 89 C PRO A 9 -3.379 8.226 15.722 1.00 0.00 C ATOM 90 O PRO A 9 -4.307 8.979 16.011 1.00 0.00 O ATOM 91 CB PRO A 9 -4.250 5.967 16.501 1.00 0.00 C ATOM 92 CG PRO A 9 -5.004 6.122 17.811 1.00 0.00 C ATOM 93 CD PRO A 9 -4.133 6.932 18.757 1.00 0.00 C ATOM 0 HA PRO A 9 -2.202 6.546 16.125 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.902 6.162 15.650 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.871 4.951 16.387 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.957 6.624 17.646 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.228 5.145 18.240 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.658 7.815 19.121 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.848 6.347 19.632 1.00 0.00 H new ATOM 101 N ILE A 10 -2.550 8.411 14.705 1.00 0.00 N ATOM 102 CA ILE A 10 -2.687 9.562 13.828 1.00 0.00 C ATOM 103 C ILE A 10 -3.941 9.396 12.968 1.00 0.00 C ATOM 104 O ILE A 10 -4.751 10.316 12.860 1.00 0.00 O ATOM 105 CB ILE A 10 -1.408 9.773 13.017 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.188 9.886 13.934 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.540 10.982 12.088 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.008 9.129 13.352 1.00 0.00 C ATOM 0 H ILE A 10 -1.781 7.784 14.469 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.819 10.473 14.412 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.257 8.897 12.386 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.073 10.936 14.070 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.431 9.487 14.919 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.617 11.109 11.523 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.368 10.822 11.398 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.729 11.877 12.680 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.861 9.226 14.023 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.752 8.075 13.240 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.264 9.546 12.378 1.00 0.00 H new ATOM 120 N GLY A 11 -4.062 8.217 12.376 1.00 0.00 N ATOM 121 CA GLY A 11 -5.204 7.918 11.528 1.00 0.00 C ATOM 122 C GLY A 11 -5.404 6.408 11.391 1.00 0.00 C ATOM 123 O GLY A 11 -4.436 5.651 11.345 1.00 0.00 O ATOM 0 H GLY A 11 -3.388 7.457 12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.102 8.371 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.055 8.360 10.543 1.00 0.00 H new ATOM 127 N GLU A 12 -6.668 6.014 11.328 1.00 0.00 N ATOM 128 CA GLU A 12 -7.008 4.608 11.196 1.00 0.00 C ATOM 129 C GLU A 12 -7.552 4.322 9.795 1.00 0.00 C ATOM 130 O GLU A 12 -8.283 5.135 9.231 1.00 0.00 O ATOM 131 CB GLU A 12 -8.011 4.183 12.270 1.00 0.00 C ATOM 132 CG GLU A 12 -8.380 2.706 12.123 1.00 0.00 C ATOM 133 CD GLU A 12 -9.652 2.538 11.291 1.00 0.00 C ATOM 134 OE1 GLU A 12 -10.567 3.370 11.478 1.00 0.00 O ATOM 135 OE2 GLU A 12 -9.682 1.582 10.486 1.00 0.00 O ATOM 0 H GLU A 12 -7.469 6.645 11.366 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.101 4.021 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.587 4.359 13.259 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.910 4.795 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.558 2.168 11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -8.525 2.264 13.109 1.00 0.00 H new ATOM 142 N ALA A 13 -7.174 3.165 9.273 1.00 0.00 N ATOM 143 CA ALA A 13 -7.614 2.762 7.948 1.00 0.00 C ATOM 144 C ALA A 13 -8.190 1.346 8.015 1.00 0.00 C ATOM 145 O ALA A 13 -7.701 0.508 8.772 1.00 0.00 O ATOM 146 CB ALA A 13 -6.446 2.870 6.966 1.00 0.00 C ATOM 0 H ALA A 13 -6.568 2.493 9.744 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.403 3.423 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.777 2.568 5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.093 3.901 6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.635 2.219 7.292 1.00 0.00 H new ATOM 152 N SER A 14 -9.221 1.122 7.214 1.00 0.00 N ATOM 153 CA SER A 14 -9.869 -0.178 7.173 1.00 0.00 C ATOM 154 C SER A 14 -9.671 -0.819 5.798 1.00 0.00 C ATOM 155 O SER A 14 -9.748 -0.139 4.776 1.00 0.00 O ATOM 156 CB SER A 14 -11.360 -0.061 7.495 1.00 0.00 C ATOM 157 OG SER A 14 -11.617 0.938 8.478 1.00 0.00 O ATOM 0 H SER A 14 -9.624 1.819 6.588 1.00 0.00 H new ATOM 0 HA SER A 14 -9.410 -0.812 7.931 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.910 0.176 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.731 -1.023 7.850 1.00 0.00 H new ATOM 0 HG SER A 14 -10.872 0.971 9.113 1.00 0.00 H new ATOM 163 N ILE A 15 -9.420 -2.119 5.817 1.00 0.00 N ATOM 164 CA ILE A 15 -9.210 -2.859 4.584 1.00 0.00 C ATOM 165 C ILE A 15 -10.563 -3.307 4.026 1.00 0.00 C ATOM 166 O ILE A 15 -11.303 -4.031 4.691 1.00 0.00 O ATOM 167 CB ILE A 15 -8.227 -4.009 4.809 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.792 -3.490 4.920 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.369 -5.073 3.719 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.848 -4.589 5.412 1.00 0.00 C ATOM 0 H ILE A 15 -9.357 -2.680 6.667 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.749 -2.220 3.831 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.471 -4.486 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.457 -3.126 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.760 -2.644 5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.659 -5.879 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.383 -5.473 3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.167 -4.626 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.835 -4.194 5.482 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.172 -4.934 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.864 -5.423 4.711 1.00 0.00 H new ATOM 182 N LEU A 16 -10.845 -2.857 2.812 1.00 0.00 N ATOM 183 CA LEU A 16 -12.096 -3.203 2.158 1.00 0.00 C ATOM 184 C LEU A 16 -11.871 -4.407 1.242 1.00 0.00 C ATOM 185 O LEU A 16 -12.750 -5.255 1.099 1.00 0.00 O ATOM 186 CB LEU A 16 -12.680 -1.984 1.441 1.00 0.00 C ATOM 187 CG LEU A 16 -12.704 -0.682 2.243 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.935 0.522 1.328 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.737 -0.751 3.370 1.00 0.00 C ATOM 0 H LEU A 16 -10.229 -2.256 2.264 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.843 -3.498 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.108 -1.815 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.700 -2.220 1.138 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.727 -0.550 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.948 1.435 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.132 0.580 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.890 0.411 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.734 0.187 3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.727 -0.918 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.487 -1.571 4.043 1.00 0.00 H new ATOM 201 N ALA A 17 -10.689 -4.443 0.644 1.00 0.00 N ATOM 202 CA ALA A 17 -10.338 -5.529 -0.255 1.00 0.00 C ATOM 203 C ALA A 17 -8.847 -5.840 -0.115 1.00 0.00 C ATOM 204 O ALA A 17 -8.080 -5.011 0.372 1.00 0.00 O ATOM 205 CB ALA A 17 -10.723 -5.152 -1.687 1.00 0.00 C ATOM 0 H ALA A 17 -9.962 -3.737 0.765 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.889 -6.433 0.003 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.459 -5.967 -2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.797 -4.970 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.188 -4.250 -1.982 1.00 0.00 H new ATOM 211 N THR A 18 -8.480 -7.036 -0.551 1.00 0.00 N ATOM 212 CA THR A 18 -7.094 -7.466 -0.480 1.00 0.00 C ATOM 213 C THR A 18 -6.749 -8.352 -1.679 1.00 0.00 C ATOM 214 O THR A 18 -7.531 -9.224 -2.056 1.00 0.00 O ATOM 215 CB THR A 18 -6.882 -8.157 0.868 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.605 -9.379 0.749 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.575 -7.424 2.018 1.00 0.00 C ATOM 0 H THR A 18 -9.119 -7.721 -0.955 1.00 0.00 H new ATOM 0 HA THR A 18 -6.413 -6.617 -0.536 1.00 0.00 H new ATOM 0 HB THR A 18 -5.814 -8.228 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.520 -9.892 1.580 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.393 -7.957 2.951 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.179 -6.411 2.095 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.648 -7.381 1.828 1.00 0.00 H new ATOM 225 N PHE A 19 -5.578 -8.099 -2.244 1.00 0.00 N ATOM 226 CA PHE A 19 -5.120 -8.863 -3.392 1.00 0.00 C ATOM 227 C PHE A 19 -3.592 -8.872 -3.470 1.00 0.00 C ATOM 228 O PHE A 19 -2.919 -8.297 -2.615 1.00 0.00 O ATOM 229 CB PHE A 19 -5.678 -8.175 -4.639 1.00 0.00 C ATOM 230 CG PHE A 19 -5.250 -6.714 -4.788 1.00 0.00 C ATOM 231 CD1 PHE A 19 -3.957 -6.411 -5.081 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.163 -5.718 -4.628 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.560 -5.054 -5.219 1.00 0.00 C ATOM 234 CE2 PHE A 19 -5.766 -4.362 -4.767 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.472 -4.059 -5.059 1.00 0.00 C ATOM 0 H PHE A 19 -4.932 -7.375 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.459 -9.896 -3.311 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.357 -8.729 -5.521 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.767 -8.223 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.232 -7.202 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.190 -5.959 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.533 -4.813 -5.451 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.491 -3.571 -4.641 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.170 -3.028 -5.164 1.00 0.00 H new ATOM 245 N THR A 20 -3.088 -9.530 -4.503 1.00 0.00 N ATOM 246 CA THR A 20 -1.652 -9.621 -4.705 1.00 0.00 C ATOM 247 C THR A 20 -1.257 -8.971 -6.032 1.00 0.00 C ATOM 248 O THR A 20 -2.106 -8.738 -6.890 1.00 0.00 O ATOM 249 CB THR A 20 -1.253 -11.095 -4.608 1.00 0.00 C ATOM 250 OG1 THR A 20 -2.079 -11.611 -3.567 1.00 0.00 O ATOM 251 CG2 THR A 20 0.171 -11.284 -4.082 1.00 0.00 C ATOM 0 H THR A 20 -3.649 -10.006 -5.210 1.00 0.00 H new ATOM 0 HA THR A 20 -1.109 -9.071 -3.936 1.00 0.00 H new ATOM 0 HB THR A 20 -1.341 -11.559 -5.590 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.887 -12.563 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.403 -12.348 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.875 -10.790 -4.752 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.252 -10.849 -3.086 1.00 0.00 H new ATOM 259 N VAL A 21 0.033 -8.696 -6.159 1.00 0.00 N ATOM 260 CA VAL A 21 0.551 -8.077 -7.367 1.00 0.00 C ATOM 261 C VAL A 21 1.834 -8.794 -7.792 1.00 0.00 C ATOM 262 O VAL A 21 2.482 -9.450 -6.978 1.00 0.00 O ATOM 263 CB VAL A 21 0.751 -6.577 -7.142 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.591 -5.845 -7.106 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.553 -6.316 -5.865 1.00 0.00 C ATOM 0 H VAL A 21 0.735 -8.891 -5.445 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.163 -8.177 -8.184 1.00 0.00 H new ATOM 0 HB VAL A 21 1.324 -6.185 -7.983 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.421 -4.781 -6.945 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.110 -5.990 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.200 -6.242 -6.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.681 -5.242 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.019 -6.729 -5.009 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.531 -6.790 -5.946 1.00 0.00 H new ATOM 275 N THR A 22 2.163 -8.645 -9.067 1.00 0.00 N ATOM 276 CA THR A 22 3.356 -9.271 -9.611 1.00 0.00 C ATOM 277 C THR A 22 4.279 -8.215 -10.223 1.00 0.00 C ATOM 278 O THR A 22 3.858 -7.440 -11.080 1.00 0.00 O ATOM 279 CB THR A 22 2.916 -10.345 -10.607 1.00 0.00 C ATOM 280 OG1 THR A 22 1.762 -10.924 -10.005 1.00 0.00 O ATOM 281 CG2 THR A 22 3.911 -11.504 -10.697 1.00 0.00 C ATOM 0 H THR A 22 1.624 -8.099 -9.739 1.00 0.00 H new ATOM 0 HA THR A 22 3.941 -9.755 -8.829 1.00 0.00 H new ATOM 0 HB THR A 22 2.792 -9.897 -11.593 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.410 -11.630 -10.586 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.550 -12.238 -11.418 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.882 -11.126 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.011 -11.975 -9.719 1.00 0.00 H new ATOM 289 N GLU A 23 5.520 -8.220 -9.760 1.00 0.00 N ATOM 290 CA GLU A 23 6.506 -7.272 -10.251 1.00 0.00 C ATOM 291 C GLU A 23 7.912 -7.867 -10.146 1.00 0.00 C ATOM 292 O GLU A 23 8.519 -7.849 -9.076 1.00 0.00 O ATOM 293 CB GLU A 23 6.415 -5.945 -9.497 1.00 0.00 C ATOM 294 CG GLU A 23 6.911 -6.096 -8.058 1.00 0.00 C ATOM 295 CD GLU A 23 8.327 -5.537 -7.904 1.00 0.00 C ATOM 296 OE1 GLU A 23 9.042 -5.515 -8.928 1.00 0.00 O ATOM 297 OE2 GLU A 23 8.661 -5.145 -6.765 1.00 0.00 O ATOM 0 H GLU A 23 5.866 -8.866 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 23 6.295 -7.070 -11.301 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.008 -5.189 -10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.383 -5.594 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.235 -5.575 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.899 -7.148 -7.774 1.00 0.00 H new ATOM 304 N GLY A 24 8.389 -8.379 -11.271 1.00 0.00 N ATOM 305 CA GLY A 24 9.712 -8.978 -11.319 1.00 0.00 C ATOM 306 C GLY A 24 9.690 -10.402 -10.760 1.00 0.00 C ATOM 307 O GLY A 24 10.449 -10.727 -9.848 1.00 0.00 O ATOM 0 H GLY A 24 7.883 -8.391 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.071 -8.993 -12.348 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.412 -8.369 -10.746 1.00 0.00 H new ATOM 311 N LYS A 25 8.811 -11.214 -11.330 1.00 0.00 N ATOM 312 CA LYS A 25 8.680 -12.596 -10.901 1.00 0.00 C ATOM 313 C LYS A 25 8.500 -12.638 -9.382 1.00 0.00 C ATOM 314 O LYS A 25 8.850 -13.627 -8.739 1.00 0.00 O ATOM 315 CB LYS A 25 9.862 -13.427 -11.403 1.00 0.00 C ATOM 316 CG LYS A 25 9.529 -14.920 -11.386 1.00 0.00 C ATOM 317 CD LYS A 25 10.452 -15.677 -10.429 1.00 0.00 C ATOM 318 CE LYS A 25 9.779 -16.948 -9.908 1.00 0.00 C ATOM 319 NZ LYS A 25 10.761 -17.805 -9.206 1.00 0.00 N ATOM 0 H LYS A 25 8.183 -10.941 -12.086 1.00 0.00 H new ATOM 0 HA LYS A 25 7.792 -13.049 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.123 -13.120 -12.416 1.00 0.00 H new ATOM 0 HB3 LYS A 25 10.735 -13.238 -10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.491 -15.061 -11.084 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.627 -15.330 -12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.379 -15.936 -10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.720 -15.033 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.967 -16.685 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.335 -17.498 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.287 -18.663 -8.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.522 -18.071 -9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.165 -17.283 -8.402 1.00 0.00 H new ATOM 333 N LYS A 26 7.954 -11.553 -8.853 1.00 0.00 N ATOM 334 CA LYS A 26 7.722 -11.454 -7.421 1.00 0.00 C ATOM 335 C LYS A 26 6.217 -11.390 -7.156 1.00 0.00 C ATOM 336 O LYS A 26 5.434 -11.116 -8.064 1.00 0.00 O ATOM 337 CB LYS A 26 8.502 -10.277 -6.833 1.00 0.00 C ATOM 338 CG LYS A 26 9.900 -10.712 -6.388 1.00 0.00 C ATOM 339 CD LYS A 26 10.405 -9.841 -5.236 1.00 0.00 C ATOM 340 CE LYS A 26 9.673 -10.174 -3.935 1.00 0.00 C ATOM 341 NZ LYS A 26 10.258 -9.420 -2.804 1.00 0.00 N ATOM 0 H LYS A 26 7.665 -10.735 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 26 8.097 -12.341 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.584 -9.483 -7.575 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.958 -9.864 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.878 -11.756 -6.076 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.590 -10.645 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.476 -9.992 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.259 -8.789 -5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.615 -9.931 -4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.737 -11.244 -3.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.750 -9.658 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.262 -9.672 -2.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.174 -8.400 -2.987 1.00 0.00 H new ATOM 355 N LYS A 27 5.858 -11.646 -5.906 1.00 0.00 N ATOM 356 CA LYS A 27 4.460 -11.620 -5.510 1.00 0.00 C ATOM 357 C LYS A 27 4.315 -10.806 -4.223 1.00 0.00 C ATOM 358 O LYS A 27 4.442 -11.345 -3.125 1.00 0.00 O ATOM 359 CB LYS A 27 3.907 -13.042 -5.403 1.00 0.00 C ATOM 360 CG LYS A 27 3.822 -13.702 -6.781 1.00 0.00 C ATOM 361 CD LYS A 27 2.829 -14.866 -6.771 1.00 0.00 C ATOM 362 CE LYS A 27 1.538 -14.491 -7.501 1.00 0.00 C ATOM 363 NZ LYS A 27 0.493 -14.089 -6.533 1.00 0.00 N ATOM 0 H LYS A 27 6.510 -11.872 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 27 3.857 -11.125 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.546 -13.636 -4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.918 -13.018 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.516 -12.965 -7.523 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.807 -14.062 -7.077 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.280 -15.737 -7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.601 -15.146 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.731 -13.675 -8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.188 -15.338 -8.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.377 -13.838 -7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.297 -14.879 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.823 -13.267 -5.987 1.00 0.00 H new ATOM 377 N ILE A 28 4.049 -9.520 -4.400 1.00 0.00 N ATOM 378 CA ILE A 28 3.885 -8.626 -3.267 1.00 0.00 C ATOM 379 C ILE A 28 2.397 -8.493 -2.938 1.00 0.00 C ATOM 380 O ILE A 28 1.612 -8.038 -3.769 1.00 0.00 O ATOM 381 CB ILE A 28 4.577 -7.287 -3.535 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.018 -7.499 -4.006 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.502 -6.376 -2.309 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.120 -7.387 -5.528 1.00 0.00 C ATOM 0 H ILE A 28 3.943 -9.076 -5.312 1.00 0.00 H new ATOM 0 HA ILE A 28 4.372 -9.039 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 28 4.046 -6.783 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.669 -6.760 -3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.368 -8.480 -3.686 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.001 -5.432 -2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.458 -6.186 -2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.994 -6.860 -1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.154 -7.542 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.486 -8.143 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.792 -6.396 -5.843 1.00 0.00 H new ATOM 396 N PRO A 29 2.044 -8.911 -1.693 1.00 0.00 N ATOM 397 CA PRO A 29 0.664 -8.844 -1.244 1.00 0.00 C ATOM 398 C PRO A 29 0.264 -7.404 -0.913 1.00 0.00 C ATOM 399 O PRO A 29 0.836 -6.789 -0.014 1.00 0.00 O ATOM 400 CB PRO A 29 0.595 -9.771 -0.042 1.00 0.00 C ATOM 401 CG PRO A 29 2.031 -9.961 0.420 1.00 0.00 C ATOM 402 CD PRO A 29 2.946 -9.456 -0.683 1.00 0.00 C ATOM 0 HA PRO A 29 -0.043 -9.157 -2.012 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -0.016 -9.339 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.141 -10.725 -0.310 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.210 -9.413 1.345 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.229 -11.012 0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.631 -8.694 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.557 -10.262 -1.091 1.00 0.00 H new ATOM 410 N VAL A 30 -0.714 -6.909 -1.656 1.00 0.00 N ATOM 411 CA VAL A 30 -1.197 -5.554 -1.453 1.00 0.00 C ATOM 412 C VAL A 30 -2.495 -5.596 -0.643 1.00 0.00 C ATOM 413 O VAL A 30 -3.185 -6.614 -0.622 1.00 0.00 O ATOM 414 CB VAL A 30 -1.355 -4.847 -2.800 1.00 0.00 C ATOM 415 CG1 VAL A 30 -2.038 -3.489 -2.629 1.00 0.00 C ATOM 416 CG2 VAL A 30 -0.004 -4.696 -3.502 1.00 0.00 C ATOM 0 H VAL A 30 -1.186 -7.422 -2.400 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.475 -4.973 -0.880 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.993 -5.466 -3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.138 -3.007 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.026 -3.631 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.437 -2.860 -1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.145 -4.190 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.668 -4.109 -2.876 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.429 -5.681 -3.674 1.00 0.00 H new ATOM 426 N ALA A 31 -2.788 -4.477 0.003 1.00 0.00 N ATOM 427 CA ALA A 31 -3.990 -4.373 0.811 1.00 0.00 C ATOM 428 C ALA A 31 -4.634 -3.003 0.587 1.00 0.00 C ATOM 429 O ALA A 31 -4.026 -1.973 0.874 1.00 0.00 O ATOM 430 CB ALA A 31 -3.641 -4.619 2.281 1.00 0.00 C ATOM 0 H ALA A 31 -2.213 -3.635 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.716 -5.131 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.543 -4.541 2.887 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.215 -5.616 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.916 -3.876 2.612 1.00 0.00 H new ATOM 436 N ASP A 32 -5.855 -3.035 0.074 1.00 0.00 N ATOM 437 CA ASP A 32 -6.588 -1.809 -0.192 1.00 0.00 C ATOM 438 C ASP A 32 -7.460 -1.468 1.017 1.00 0.00 C ATOM 439 O ASP A 32 -8.293 -2.272 1.433 1.00 0.00 O ATOM 440 CB ASP A 32 -7.504 -1.968 -1.407 1.00 0.00 C ATOM 441 CG ASP A 32 -7.127 -1.113 -2.618 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.925 -1.115 -2.962 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.049 -0.477 -3.173 1.00 0.00 O ATOM 0 H ASP A 32 -6.355 -3.891 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.863 -1.019 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.505 -3.016 -1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.523 -1.720 -1.110 1.00 0.00 H new ATOM 448 N CYS A 33 -7.239 -0.274 1.548 1.00 0.00 N ATOM 449 CA CYS A 33 -7.995 0.184 2.702 1.00 0.00 C ATOM 450 C CYS A 33 -8.464 1.615 2.432 1.00 0.00 C ATOM 451 O CYS A 33 -7.871 2.324 1.620 1.00 0.00 O ATOM 452 CB CYS A 33 -7.176 0.085 3.990 1.00 0.00 C ATOM 453 SG CYS A 33 -5.509 0.793 3.728 1.00 0.00 S ATOM 0 H CYS A 33 -6.547 0.390 1.200 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.862 -0.459 2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.683 0.617 4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.093 -0.957 4.299 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.823 0.706 4.829 1.00 0.00 H new ATOM 459 N ARG A 34 -9.525 1.997 3.128 1.00 0.00 N ATOM 460 CA ARG A 34 -10.081 3.331 2.974 1.00 0.00 C ATOM 461 C ARG A 34 -9.938 4.119 4.277 1.00 0.00 C ATOM 462 O ARG A 34 -10.446 3.703 5.317 1.00 0.00 O ATOM 463 CB ARG A 34 -11.558 3.270 2.582 1.00 0.00 C ATOM 464 CG ARG A 34 -12.089 4.660 2.227 1.00 0.00 C ATOM 465 CD ARG A 34 -12.139 4.857 0.710 1.00 0.00 C ATOM 466 NE ARG A 34 -13.308 5.688 0.346 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.579 5.271 0.419 1.00 0.00 C ATOM 468 NH1 ARG A 34 -14.853 4.030 0.843 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.576 6.095 0.068 1.00 0.00 N ATOM 0 H ARG A 34 -10.014 1.406 3.800 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.527 3.832 2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.685 2.600 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.139 2.854 3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.086 4.791 2.647 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.452 5.422 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.222 5.335 0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.200 3.890 0.211 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.135 6.639 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.094 3.403 1.110 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.821 3.712 0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.367 7.040 -0.255 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.544 5.777 0.124 1.00 0.00 H new ATOM 483 N VAL A 35 -9.244 5.243 4.178 1.00 0.00 N ATOM 484 CA VAL A 35 -9.027 6.094 5.336 1.00 0.00 C ATOM 485 C VAL A 35 -10.377 6.437 5.971 1.00 0.00 C ATOM 486 O VAL A 35 -11.221 7.069 5.338 1.00 0.00 O ATOM 487 CB VAL A 35 -8.224 7.332 4.933 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.832 8.155 6.162 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.989 6.943 4.118 1.00 0.00 C ATOM 0 H VAL A 35 -8.824 5.585 3.313 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.437 5.572 6.089 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.860 7.953 4.302 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.262 9.029 5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.732 8.477 6.686 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.223 7.545 6.829 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.436 7.841 3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.350 6.291 4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.300 6.419 3.214 1.00 0.00 H new ATOM 499 N GLN A 36 -10.538 6.005 7.213 1.00 0.00 N ATOM 500 CA GLN A 36 -11.770 6.259 7.940 1.00 0.00 C ATOM 501 C GLN A 36 -11.626 7.510 8.808 1.00 0.00 C ATOM 502 O GLN A 36 -12.603 8.215 9.054 1.00 0.00 O ATOM 503 CB GLN A 36 -12.167 5.047 8.785 1.00 0.00 C ATOM 504 CG GLN A 36 -12.815 3.964 7.921 1.00 0.00 C ATOM 505 CD GLN A 36 -14.328 4.171 7.825 1.00 0.00 C ATOM 506 OE1 GLN A 36 -14.888 4.363 6.758 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.956 4.122 8.996 1.00 0.00 N ATOM 0 H GLN A 36 -9.836 5.481 7.734 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.567 6.433 7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.286 4.642 9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.860 5.356 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.378 3.981 6.923 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.605 2.982 8.345 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.427 3.957 9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.967 4.249 9.038 1.00 0.00 H new ATOM 516 N LYS A 37 -10.399 7.748 9.249 1.00 0.00 N ATOM 517 CA LYS A 37 -10.115 8.901 10.085 1.00 0.00 C ATOM 518 C LYS A 37 -8.640 9.282 9.937 1.00 0.00 C ATOM 519 O LYS A 37 -7.780 8.411 9.815 1.00 0.00 O ATOM 520 CB LYS A 37 -10.539 8.634 11.531 1.00 0.00 C ATOM 521 CG LYS A 37 -9.520 7.744 12.245 1.00 0.00 C ATOM 522 CD LYS A 37 -9.993 7.392 13.657 1.00 0.00 C ATOM 523 CE LYS A 37 -10.743 6.059 13.668 1.00 0.00 C ATOM 524 NZ LYS A 37 -11.764 6.047 14.740 1.00 0.00 N ATOM 0 H LYS A 37 -9.590 7.161 9.043 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.701 9.760 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.639 9.579 12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.518 8.155 11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.365 6.830 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -8.559 8.255 12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.136 7.337 14.328 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.643 8.182 14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.220 5.895 12.702 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.039 5.240 13.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.264 5.135 14.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.301 6.182 15.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.445 6.816 14.579 1.00 0.00 H new ATOM 538 N GLY A 38 -8.393 10.583 9.953 1.00 0.00 N ATOM 539 CA GLY A 38 -7.038 11.090 9.823 1.00 0.00 C ATOM 540 C GLY A 38 -6.473 10.794 8.432 1.00 0.00 C ATOM 541 O GLY A 38 -7.218 10.741 7.454 1.00 0.00 O ATOM 0 H GLY A 38 -9.109 11.302 10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.029 12.165 10.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.401 10.636 10.582 1.00 0.00 H new ATOM 545 N GLN A 39 -5.162 10.608 8.387 1.00 0.00 N ATOM 546 CA GLN A 39 -4.490 10.319 7.132 1.00 0.00 C ATOM 547 C GLN A 39 -3.351 9.323 7.357 1.00 0.00 C ATOM 548 O GLN A 39 -3.068 8.945 8.493 1.00 0.00 O ATOM 549 CB GLN A 39 -3.974 11.602 6.478 1.00 0.00 C ATOM 550 CG GLN A 39 -3.329 12.525 7.513 1.00 0.00 C ATOM 551 CD GLN A 39 -3.123 13.930 6.943 1.00 0.00 C ATOM 552 OE1 GLN A 39 -4.038 14.569 6.452 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.872 14.373 7.036 1.00 0.00 N ATOM 0 H GLN A 39 -4.547 10.652 9.200 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.212 9.868 6.451 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.247 11.353 5.705 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.797 12.120 5.987 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.959 12.578 8.401 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.370 12.112 7.826 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.153 13.786 7.459 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.632 15.300 6.684 1.00 0.00 H new ATOM 562 N LEU A 40 -2.728 8.926 6.257 1.00 0.00 N ATOM 563 CA LEU A 40 -1.626 7.981 6.321 1.00 0.00 C ATOM 564 C LEU A 40 -0.354 8.652 5.798 1.00 0.00 C ATOM 565 O LEU A 40 -0.329 9.156 4.677 1.00 0.00 O ATOM 566 CB LEU A 40 -1.986 6.688 5.585 1.00 0.00 C ATOM 567 CG LEU A 40 -3.279 6.001 6.030 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.543 4.742 5.202 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.254 5.705 7.531 1.00 0.00 C ATOM 0 H LEU A 40 -2.965 9.241 5.317 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.433 7.690 7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.063 6.909 4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.163 5.983 5.706 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.109 6.685 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.468 4.273 5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.634 5.011 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.715 4.044 5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.184 5.217 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.414 5.049 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.146 6.638 8.084 1.00 0.00 H new ATOM 581 N GLU A 41 0.672 8.636 6.637 1.00 0.00 N ATOM 582 CA GLU A 41 1.944 9.236 6.274 1.00 0.00 C ATOM 583 C GLU A 41 2.985 8.149 5.999 1.00 0.00 C ATOM 584 O GLU A 41 3.320 7.367 6.887 1.00 0.00 O ATOM 585 CB GLU A 41 2.428 10.196 7.363 1.00 0.00 C ATOM 586 CG GLU A 41 1.350 11.226 7.704 1.00 0.00 C ATOM 587 CD GLU A 41 1.888 12.281 8.674 1.00 0.00 C ATOM 588 OE1 GLU A 41 3.045 12.705 8.467 1.00 0.00 O ATOM 589 OE2 GLU A 41 1.128 12.640 9.600 1.00 0.00 O ATOM 0 H GLU A 41 0.648 8.217 7.567 1.00 0.00 H new ATOM 0 HA GLU A 41 1.803 9.815 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.694 9.633 8.258 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.331 10.707 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.002 11.710 6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.490 10.724 8.147 1.00 0.00 H new ATOM 596 N ARG A 42 3.467 8.135 4.765 1.00 0.00 N ATOM 597 CA ARG A 42 4.463 7.157 4.362 1.00 0.00 C ATOM 598 C ARG A 42 5.763 7.371 5.139 1.00 0.00 C ATOM 599 O ARG A 42 6.738 7.888 4.595 1.00 0.00 O ATOM 600 CB ARG A 42 4.752 7.251 2.862 1.00 0.00 C ATOM 601 CG ARG A 42 4.391 5.945 2.151 1.00 0.00 C ATOM 602 CD ARG A 42 5.416 4.852 2.458 1.00 0.00 C ATOM 603 NE ARG A 42 6.785 5.360 2.219 1.00 0.00 N ATOM 604 CZ ARG A 42 7.898 4.760 2.664 1.00 0.00 C ATOM 605 NH1 ARG A 42 7.810 3.627 3.374 1.00 0.00 N ATOM 606 NH2 ARG A 42 9.098 5.293 2.399 1.00 0.00 N ATOM 0 H ARG A 42 3.186 8.785 4.031 1.00 0.00 H new ATOM 0 HA ARG A 42 4.063 6.167 4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.183 8.074 2.429 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.807 7.475 2.705 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.400 5.618 2.465 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.345 6.113 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.315 4.528 3.494 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.228 3.980 1.832 1.00 0.00 H new ATOM 0 HE ARG A 42 6.888 6.221 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.896 3.221 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.657 3.170 3.713 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.165 6.155 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.945 4.836 2.738 1.00 0.00 H new ATOM 620 N HIS A 43 5.736 6.963 6.400 1.00 0.00 N ATOM 621 CA HIS A 43 6.900 7.105 7.257 1.00 0.00 C ATOM 622 C HIS A 43 6.575 6.575 8.655 1.00 0.00 C ATOM 623 O HIS A 43 7.348 5.808 9.228 1.00 0.00 O ATOM 624 CB HIS A 43 7.392 8.553 7.272 1.00 0.00 C ATOM 625 CG HIS A 43 8.894 8.693 7.212 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.659 8.127 6.207 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.763 9.339 8.040 1.00 0.00 C ATOM 628 CE1 HIS A 43 10.931 8.426 6.431 1.00 0.00 C ATOM 629 NE2 HIS A 43 10.993 9.176 7.569 1.00 0.00 N ATOM 0 H HIS A 43 4.926 6.534 6.848 1.00 0.00 H new ATOM 0 HA HIS A 43 7.722 6.508 6.861 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.954 9.083 6.426 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.028 9.040 8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.496 9.890 8.929 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.770 8.128 5.820 1.00 0.00 H new ATOM 0 HE2 HIS A 43 11.844 9.550 7.989 1.00 0.00 H new ATOM 637 N LYS A 44 5.429 7.004 9.164 1.00 0.00 N ATOM 638 CA LYS A 44 4.992 6.583 10.484 1.00 0.00 C ATOM 639 C LYS A 44 5.000 5.054 10.556 1.00 0.00 C ATOM 640 O LYS A 44 5.356 4.386 9.586 1.00 0.00 O ATOM 641 CB LYS A 44 3.638 7.207 10.825 1.00 0.00 C ATOM 642 CG LYS A 44 3.719 8.735 10.810 1.00 0.00 C ATOM 643 CD LYS A 44 4.342 9.263 12.104 1.00 0.00 C ATOM 644 CE LYS A 44 4.405 10.792 12.098 1.00 0.00 C ATOM 645 NZ LYS A 44 5.562 11.259 11.302 1.00 0.00 N ATOM 0 H LYS A 44 4.790 7.639 8.686 1.00 0.00 H new ATOM 0 HA LYS A 44 5.683 6.942 11.246 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.888 6.872 10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.314 6.866 11.808 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.312 9.063 9.956 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.721 9.155 10.685 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.757 8.923 12.959 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.346 8.855 12.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.483 11.198 11.683 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.485 11.163 13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.591 12.299 11.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.441 10.886 11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.469 10.921 10.323 1.00 0.00 H new ATOM 659 N LYS A 45 4.605 4.546 11.713 1.00 0.00 N ATOM 660 CA LYS A 45 4.562 3.109 11.924 1.00 0.00 C ATOM 661 C LYS A 45 3.129 2.610 11.720 1.00 0.00 C ATOM 662 O LYS A 45 2.175 3.269 12.130 1.00 0.00 O ATOM 663 CB LYS A 45 5.149 2.749 13.290 1.00 0.00 C ATOM 664 CG LYS A 45 4.666 1.372 13.749 1.00 0.00 C ATOM 665 CD LYS A 45 5.816 0.559 14.346 1.00 0.00 C ATOM 666 CE LYS A 45 5.484 0.101 15.768 1.00 0.00 C ATOM 667 NZ LYS A 45 6.720 -0.043 16.568 1.00 0.00 N ATOM 0 H LYS A 45 4.312 5.104 12.515 1.00 0.00 H new ATOM 0 HA LYS A 45 5.186 2.598 11.190 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.238 2.757 13.235 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.861 3.502 14.023 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.875 1.488 14.490 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.235 0.834 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.017 -0.309 13.718 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.724 1.161 14.357 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.819 0.822 16.243 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.952 -0.850 15.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.477 -0.354 17.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.342 -0.748 16.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.212 0.872 16.614 1.00 0.00 H new ATOM 681 N PHE A 46 3.025 1.451 11.087 1.00 0.00 N ATOM 682 CA PHE A 46 1.725 0.857 10.824 1.00 0.00 C ATOM 683 C PHE A 46 1.645 -0.560 11.394 1.00 0.00 C ATOM 684 O PHE A 46 2.655 -1.122 11.816 1.00 0.00 O ATOM 685 CB PHE A 46 1.562 0.792 9.304 1.00 0.00 C ATOM 686 CG PHE A 46 1.705 2.146 8.604 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.921 2.753 8.541 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.617 2.741 8.046 1.00 0.00 C ATOM 689 CE1 PHE A 46 3.054 4.009 7.892 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.750 3.997 7.397 1.00 0.00 C ATOM 691 CZ PHE A 46 1.966 4.605 7.334 1.00 0.00 C ATOM 0 H PHE A 46 3.819 0.907 10.749 1.00 0.00 H new ATOM 0 HA PHE A 46 0.942 1.453 11.292 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.304 0.105 8.898 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.582 0.376 9.071 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.785 2.280 8.984 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.348 2.258 8.096 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.019 4.491 7.841 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.114 4.470 6.953 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.067 5.561 6.841 1.00 0.00 H new ATOM 701 N LYS A 47 0.434 -1.099 11.387 1.00 0.00 N ATOM 702 CA LYS A 47 0.209 -2.440 11.899 1.00 0.00 C ATOM 703 C LYS A 47 -1.147 -2.949 11.404 1.00 0.00 C ATOM 704 O LYS A 47 -2.066 -2.162 11.184 1.00 0.00 O ATOM 705 CB LYS A 47 0.357 -2.465 13.421 1.00 0.00 C ATOM 706 CG LYS A 47 -0.134 -1.155 14.041 1.00 0.00 C ATOM 707 CD LYS A 47 -0.147 -1.242 15.569 1.00 0.00 C ATOM 708 CE LYS A 47 -1.291 -0.412 16.156 1.00 0.00 C ATOM 709 NZ LYS A 47 -1.612 -0.868 17.527 1.00 0.00 N ATOM 0 H LYS A 47 -0.401 -0.631 11.035 1.00 0.00 H new ATOM 0 HA LYS A 47 0.966 -3.125 11.518 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.210 -3.301 13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.402 -2.628 13.686 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.511 -0.335 13.725 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.137 -0.930 13.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.253 -2.282 15.877 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.805 -0.888 15.965 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.012 0.642 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.173 -0.498 15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.390 -0.294 17.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.898 -1.868 17.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.773 -0.763 18.133 1.00 0.00 H new ATOM 723 N LEU A 48 -1.228 -4.261 11.244 1.00 0.00 N ATOM 724 CA LEU A 48 -2.456 -4.884 10.780 1.00 0.00 C ATOM 725 C LEU A 48 -3.162 -5.552 11.961 1.00 0.00 C ATOM 726 O LEU A 48 -2.601 -6.439 12.604 1.00 0.00 O ATOM 727 CB LEU A 48 -2.167 -5.836 9.618 1.00 0.00 C ATOM 728 CG LEU A 48 -3.384 -6.524 8.995 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.201 -5.539 8.157 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.966 -7.755 8.189 1.00 0.00 C ATOM 0 H LEU A 48 -0.463 -4.910 11.427 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.139 -4.132 10.384 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.651 -5.278 8.837 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.479 -6.606 9.968 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.029 -6.873 9.801 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.060 -6.053 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.548 -4.722 8.790 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.579 -5.138 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.850 -8.225 7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.288 -7.454 7.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.461 -8.465 8.844 1.00 0.00 H new ATOM 742 N ILE A 49 -4.382 -5.101 12.212 1.00 0.00 N ATOM 743 CA ILE A 49 -5.171 -5.644 13.305 1.00 0.00 C ATOM 744 C ILE A 49 -6.291 -6.517 12.735 1.00 0.00 C ATOM 745 O ILE A 49 -7.176 -6.021 12.039 1.00 0.00 O ATOM 746 CB ILE A 49 -5.670 -4.521 14.216 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.499 -3.790 14.876 1.00 0.00 C ATOM 748 CG2 ILE A 49 -6.668 -5.053 15.246 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.670 -3.032 13.838 1.00 0.00 C ATOM 0 H ILE A 49 -4.844 -4.365 11.677 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.556 -6.285 13.936 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.199 -3.792 13.602 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.876 -3.093 15.624 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.866 -4.507 15.399 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.007 -4.234 15.881 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.523 -5.491 14.731 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.186 -5.813 15.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.844 -2.522 14.334 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.274 -3.735 13.105 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.300 -2.299 13.334 1.00 0.00 H new ATOM 761 N ARG A 50 -6.217 -7.801 13.052 1.00 0.00 N ATOM 762 CA ARG A 50 -7.214 -8.747 12.580 1.00 0.00 C ATOM 763 C ARG A 50 -7.848 -9.483 13.762 1.00 0.00 C ATOM 764 O ARG A 50 -7.183 -10.263 14.442 1.00 0.00 O ATOM 765 CB ARG A 50 -6.594 -9.770 11.625 1.00 0.00 C ATOM 766 CG ARG A 50 -7.672 -10.650 10.989 1.00 0.00 C ATOM 767 CD ARG A 50 -7.095 -12.000 10.559 1.00 0.00 C ATOM 768 NE ARG A 50 -6.710 -11.954 9.131 1.00 0.00 N ATOM 769 CZ ARG A 50 -6.371 -13.031 8.409 1.00 0.00 C ATOM 770 NH1 ARG A 50 -6.367 -14.244 8.978 1.00 0.00 N ATOM 771 NH2 ARG A 50 -6.036 -12.894 7.119 1.00 0.00 N ATOM 0 H ARG A 50 -5.482 -8.209 13.630 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.979 -8.184 12.045 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -6.035 -9.253 10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.883 -10.394 12.166 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.484 -10.807 11.699 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.099 -10.141 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.227 -12.245 11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.831 -12.787 10.721 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.702 -11.046 8.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.622 -14.347 9.960 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.109 -15.064 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.039 -11.970 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.778 -13.714 6.569 1.00 0.00 H new ATOM 785 N ASN A 51 -9.128 -9.209 13.971 1.00 0.00 N ATOM 786 CA ASN A 51 -9.860 -9.835 15.059 1.00 0.00 C ATOM 787 C ASN A 51 -9.536 -9.112 16.368 1.00 0.00 C ATOM 788 O ASN A 51 -10.049 -9.476 17.425 1.00 0.00 O ATOM 789 CB ASN A 51 -9.460 -11.303 15.218 1.00 0.00 C ATOM 790 CG ASN A 51 -10.638 -12.141 15.721 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.591 -11.638 16.293 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.519 -13.443 15.477 1.00 0.00 N ATOM 0 H ASN A 51 -9.677 -8.562 13.405 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.924 -9.774 14.830 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.113 -11.695 14.262 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.627 -11.383 15.917 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.253 -14.087 15.774 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.694 -13.798 14.993 1.00 0.00 H new ATOM 799 N GLY A 52 -8.687 -8.102 16.254 1.00 0.00 N ATOM 800 CA GLY A 52 -8.289 -7.325 17.416 1.00 0.00 C ATOM 801 C GLY A 52 -6.811 -7.548 17.745 1.00 0.00 C ATOM 802 O GLY A 52 -6.220 -6.789 18.511 1.00 0.00 O ATOM 0 H GLY A 52 -8.264 -7.803 15.375 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.468 -6.266 17.229 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.902 -7.605 18.273 1.00 0.00 H new ATOM 806 N GLN A 53 -6.257 -8.594 17.149 1.00 0.00 N ATOM 807 CA GLN A 53 -4.860 -8.927 17.369 1.00 0.00 C ATOM 808 C GLN A 53 -4.000 -8.396 16.220 1.00 0.00 C ATOM 809 O GLN A 53 -4.456 -8.327 15.080 1.00 0.00 O ATOM 810 CB GLN A 53 -4.676 -10.436 17.540 1.00 0.00 C ATOM 811 CG GLN A 53 -4.583 -11.134 16.182 1.00 0.00 C ATOM 812 CD GLN A 53 -4.821 -12.639 16.321 1.00 0.00 C ATOM 813 OE1 GLN A 53 -4.685 -13.219 17.386 1.00 0.00 O ATOM 814 NE2 GLN A 53 -5.182 -13.237 15.189 1.00 0.00 N ATOM 0 H GLN A 53 -6.750 -9.222 16.514 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.534 -8.448 18.292 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.772 -10.633 18.117 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.512 -10.846 18.107 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.318 -10.708 15.499 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.601 -10.957 15.745 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -5.277 -12.692 14.332 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.363 -14.241 15.178 1.00 0.00 H new ATOM 823 N VAL A 54 -2.772 -8.035 16.560 1.00 0.00 N ATOM 824 CA VAL A 54 -1.844 -7.513 15.571 1.00 0.00 C ATOM 825 C VAL A 54 -1.071 -8.673 14.940 1.00 0.00 C ATOM 826 O VAL A 54 -0.548 -9.533 15.648 1.00 0.00 O ATOM 827 CB VAL A 54 -0.932 -6.465 16.211 1.00 0.00 C ATOM 828 CG1 VAL A 54 0.293 -6.196 15.334 1.00 0.00 C ATOM 829 CG2 VAL A 54 -1.698 -5.172 16.496 1.00 0.00 C ATOM 0 H VAL A 54 -2.398 -8.094 17.507 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.384 -7.009 14.770 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.581 -6.862 17.163 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.925 -5.447 15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.858 -7.119 15.205 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.030 -5.830 14.360 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.026 -4.444 16.951 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.092 -4.769 15.563 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.523 -5.380 17.178 1.00 0.00 H new ATOM 839 N ILE A 55 -1.024 -8.661 13.616 1.00 0.00 N ATOM 840 CA ILE A 55 -0.324 -9.701 12.882 1.00 0.00 C ATOM 841 C ILE A 55 1.010 -9.151 12.375 1.00 0.00 C ATOM 842 O ILE A 55 2.023 -9.850 12.398 1.00 0.00 O ATOM 843 CB ILE A 55 -1.216 -10.269 11.776 1.00 0.00 C ATOM 844 CG1 ILE A 55 -2.058 -9.166 11.130 1.00 0.00 C ATOM 845 CG2 ILE A 55 -2.081 -11.416 12.303 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.377 -8.973 11.880 1.00 0.00 C ATOM 0 H ILE A 55 -1.460 -7.947 13.032 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.094 -10.541 13.537 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.574 -10.682 10.998 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.498 -8.231 11.126 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.261 -9.421 10.090 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.705 -11.801 11.497 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.439 -12.213 12.678 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.716 -11.052 13.111 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.956 -8.184 11.401 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.946 -9.903 11.861 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.171 -8.695 12.913 1.00 0.00 H new ATOM 858 N TRP A 56 0.969 -7.904 11.928 1.00 0.00 N ATOM 859 CA TRP A 56 2.163 -7.253 11.416 1.00 0.00 C ATOM 860 C TRP A 56 2.276 -5.881 12.084 1.00 0.00 C ATOM 861 O TRP A 56 1.290 -5.153 12.187 1.00 0.00 O ATOM 862 CB TRP A 56 2.131 -7.173 9.889 1.00 0.00 C ATOM 863 CG TRP A 56 3.287 -6.375 9.283 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.455 -6.838 8.817 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.339 -4.945 9.095 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.253 -5.816 8.345 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.552 -4.628 8.519 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.392 -3.952 9.401 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.931 -3.318 8.200 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.785 -2.648 9.076 1.00 0.00 C ATOM 871 CH2 TRP A 56 4.003 -2.313 8.496 1.00 0.00 C ATOM 0 H TRP A 56 0.128 -7.327 11.910 1.00 0.00 H new ATOM 0 HA TRP A 56 3.053 -7.833 11.659 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.148 -8.184 9.482 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.189 -6.721 9.579 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.737 -7.881 8.812 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.185 -5.914 7.943 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.437 -4.177 9.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.887 -3.095 7.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 2.094 -1.847 9.291 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.232 -1.281 8.275 1.00 0.00 H new ATOM 882 N LYS A 57 3.488 -5.570 12.521 1.00 0.00 N ATOM 883 CA LYS A 57 3.743 -4.298 13.176 1.00 0.00 C ATOM 884 C LYS A 57 5.067 -3.724 12.668 1.00 0.00 C ATOM 885 O LYS A 57 6.128 -4.303 12.899 1.00 0.00 O ATOM 886 CB LYS A 57 3.685 -4.458 14.697 1.00 0.00 C ATOM 887 CG LYS A 57 4.865 -5.289 15.206 1.00 0.00 C ATOM 888 CD LYS A 57 4.454 -6.146 16.405 1.00 0.00 C ATOM 889 CE LYS A 57 4.688 -7.631 16.123 1.00 0.00 C ATOM 890 NZ LYS A 57 5.058 -8.343 17.367 1.00 0.00 N ATOM 0 H LYS A 57 4.303 -6.177 12.434 1.00 0.00 H new ATOM 0 HA LYS A 57 2.965 -3.577 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.696 -3.476 15.170 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.748 -4.938 14.980 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.235 -5.930 14.406 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.684 -4.628 15.490 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.024 -5.845 17.284 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.402 -5.977 16.634 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.787 -8.073 15.698 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.479 -7.746 15.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.213 -9.350 17.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.930 -7.932 17.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.291 -8.248 18.063 1.00 0.00 H new ATOM 904 N GLY A 58 4.962 -2.593 11.986 1.00 0.00 N ATOM 905 CA GLY A 58 6.138 -1.935 11.443 1.00 0.00 C ATOM 906 C GLY A 58 5.746 -0.868 10.419 1.00 0.00 C ATOM 907 O GLY A 58 4.586 -0.463 10.353 1.00 0.00 O ATOM 0 H GLY A 58 4.081 -2.116 11.797 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.708 -1.477 12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.788 -2.673 10.973 1.00 0.00 H new ATOM 911 N SER A 59 6.734 -0.444 9.645 1.00 0.00 N ATOM 912 CA SER A 59 6.507 0.567 8.627 1.00 0.00 C ATOM 913 C SER A 59 6.262 -0.100 7.272 1.00 0.00 C ATOM 914 O SER A 59 6.741 -1.205 7.025 1.00 0.00 O ATOM 915 CB SER A 59 7.690 1.534 8.537 1.00 0.00 C ATOM 916 OG SER A 59 8.104 1.992 9.822 1.00 0.00 O ATOM 0 H SER A 59 7.694 -0.783 9.703 1.00 0.00 H new ATOM 0 HA SER A 59 5.624 1.141 8.907 1.00 0.00 H new ATOM 0 HB2 SER A 59 8.526 1.039 8.042 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.414 2.388 7.919 1.00 0.00 H new ATOM 0 HG SER A 59 8.862 2.605 9.722 1.00 0.00 H new ATOM 922 N LEU A 60 5.517 0.601 6.430 1.00 0.00 N ATOM 923 CA LEU A 60 5.204 0.091 5.106 1.00 0.00 C ATOM 924 C LEU A 60 6.438 0.215 4.210 1.00 0.00 C ATOM 925 O LEU A 60 7.328 1.019 4.482 1.00 0.00 O ATOM 926 CB LEU A 60 3.962 0.787 4.544 1.00 0.00 C ATOM 927 CG LEU A 60 2.739 0.822 5.462 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.782 1.944 5.058 1.00 0.00 C ATOM 929 CD2 LEU A 60 2.042 -0.540 5.499 1.00 0.00 C ATOM 0 H LEU A 60 5.121 1.518 6.639 1.00 0.00 H new ATOM 0 HA LEU A 60 4.952 -0.968 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.229 1.812 4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.680 0.290 3.616 1.00 0.00 H new ATOM 0 HG LEU A 60 3.079 1.038 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.921 1.946 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.296 2.903 5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.445 1.784 4.034 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.176 -0.488 6.159 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.717 -0.810 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.736 -1.294 5.870 1.00 0.00 H new ATOM 941 N THR A 61 6.451 -0.592 3.160 1.00 0.00 N ATOM 942 CA THR A 61 7.561 -0.582 2.222 1.00 0.00 C ATOM 943 C THR A 61 7.223 0.281 1.005 1.00 0.00 C ATOM 944 O THR A 61 8.118 0.806 0.344 1.00 0.00 O ATOM 945 CB THR A 61 7.892 -2.032 1.865 1.00 0.00 C ATOM 946 OG1 THR A 61 6.709 -2.513 1.233 1.00 0.00 O ATOM 947 CG2 THR A 61 8.040 -2.920 3.103 1.00 0.00 C ATOM 0 H THR A 61 5.711 -1.257 2.938 1.00 0.00 H new ATOM 0 HA THR A 61 8.449 -0.131 2.665 1.00 0.00 H new ATOM 0 HB THR A 61 8.814 -2.061 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.049 -2.755 1.916 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.275 -3.939 2.794 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.844 -2.537 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.107 -2.918 3.666 1.00 0.00 H new ATOM 955 N SER A 62 5.929 0.402 0.745 1.00 0.00 N ATOM 956 CA SER A 62 5.462 1.192 -0.381 1.00 0.00 C ATOM 957 C SER A 62 4.004 1.602 -0.163 1.00 0.00 C ATOM 958 O SER A 62 3.268 0.931 0.559 1.00 0.00 O ATOM 959 CB SER A 62 5.606 0.420 -1.693 1.00 0.00 C ATOM 960 OG SER A 62 6.726 -0.462 -1.674 1.00 0.00 O ATOM 0 H SER A 62 5.189 -0.034 1.295 1.00 0.00 H new ATOM 0 HA SER A 62 6.079 2.088 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.697 -0.152 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.713 1.124 -2.518 1.00 0.00 H new ATOM 0 HG SER A 62 6.782 -0.938 -2.529 1.00 0.00 H new ATOM 966 N LEU A 63 3.630 2.701 -0.802 1.00 0.00 N ATOM 967 CA LEU A 63 2.274 3.209 -0.687 1.00 0.00 C ATOM 968 C LEU A 63 1.937 4.036 -1.929 1.00 0.00 C ATOM 969 O LEU A 63 2.673 4.954 -2.286 1.00 0.00 O ATOM 970 CB LEU A 63 2.096 3.972 0.627 1.00 0.00 C ATOM 971 CG LEU A 63 0.788 4.751 0.778 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.342 3.838 1.256 1.00 0.00 C ATOM 973 CD2 LEU A 63 0.974 5.961 1.696 1.00 0.00 C ATOM 0 H LEU A 63 4.243 3.254 -1.401 1.00 0.00 H new ATOM 0 HA LEU A 63 1.561 2.385 -0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.169 3.261 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.926 4.670 0.734 1.00 0.00 H new ATOM 0 HG LEU A 63 0.502 5.131 -0.203 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.260 4.417 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.494 3.038 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.078 3.408 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.030 6.498 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.296 5.624 2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.729 6.625 1.275 1.00 0.00 H new ATOM 985 N LYS A 64 0.823 3.681 -2.554 1.00 0.00 N ATOM 986 CA LYS A 64 0.380 4.379 -3.748 1.00 0.00 C ATOM 987 C LYS A 64 -1.139 4.556 -3.696 1.00 0.00 C ATOM 988 O LYS A 64 -1.840 3.757 -3.077 1.00 0.00 O ATOM 989 CB LYS A 64 0.872 3.658 -5.004 1.00 0.00 C ATOM 990 CG LYS A 64 2.401 3.643 -5.064 1.00 0.00 C ATOM 991 CD LYS A 64 2.891 3.420 -6.496 1.00 0.00 C ATOM 992 CE LYS A 64 3.551 2.047 -6.643 1.00 0.00 C ATOM 993 NZ LYS A 64 4.628 2.095 -7.657 1.00 0.00 N ATOM 0 H LYS A 64 0.215 2.919 -2.255 1.00 0.00 H new ATOM 0 HA LYS A 64 0.817 5.377 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.494 2.636 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.474 4.152 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.793 4.587 -4.685 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.786 2.855 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.052 3.500 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.603 4.200 -6.766 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.960 1.729 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.804 1.307 -6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.065 1.155 -7.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.228 2.377 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.348 2.786 -7.366 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.603 5.608 -4.354 1.00 0.00 N ATOM 1008 CA HIS A 65 -3.026 5.900 -4.390 1.00 0.00 C ATOM 1009 C HIS A 65 -3.612 5.433 -5.724 1.00 0.00 C ATOM 1010 O HIS A 65 -4.035 6.250 -6.541 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.284 7.383 -4.117 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.743 7.769 -4.147 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.458 7.907 -5.324 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -5.614 8.042 -3.133 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.701 8.250 -5.021 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.796 8.334 -3.663 1.00 0.00 N ATOM 0 H HIS A 65 -1.019 6.269 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.533 5.351 -3.597 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.871 7.639 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.747 7.977 -4.856 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.090 7.768 -6.265 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -5.382 8.024 -2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.499 8.431 -5.726 1.00 0.00 H new ATOM 1075 N ASP A 69 2.610 7.808 -6.828 1.00 0.00 N ATOM 1076 CA ASP A 69 3.495 7.651 -5.686 1.00 0.00 C ATOM 1077 C ASP A 69 3.293 8.824 -4.725 1.00 0.00 C ATOM 1078 O ASP A 69 4.050 9.793 -4.755 1.00 0.00 O ATOM 1079 CB ASP A 69 4.961 7.644 -6.122 1.00 0.00 C ATOM 1080 CG ASP A 69 5.244 6.900 -7.429 1.00 0.00 C ATOM 1081 OD1 ASP A 69 4.984 7.503 -8.493 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.713 5.746 -7.334 1.00 0.00 O ATOM 0 HA ASP A 69 3.258 6.703 -5.204 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.298 8.675 -6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.558 7.194 -5.329 1.00 0.00 H new ATOM 1087 N ILE A 70 2.268 8.697 -3.894 1.00 0.00 N ATOM 1088 CA ILE A 70 1.957 9.735 -2.926 1.00 0.00 C ATOM 1089 C ILE A 70 2.623 9.397 -1.591 1.00 0.00 C ATOM 1090 O ILE A 70 3.159 8.303 -1.420 1.00 0.00 O ATOM 1091 CB ILE A 70 0.444 9.937 -2.825 1.00 0.00 C ATOM 1092 CG1 ILE A 70 0.112 11.230 -2.077 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.231 8.719 -2.191 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.268 11.757 -2.477 1.00 0.00 C ATOM 0 H ILE A 70 1.643 7.891 -3.871 1.00 0.00 H new ATOM 0 HA ILE A 70 2.362 10.693 -3.251 1.00 0.00 H new ATOM 0 HB ILE A 70 0.045 10.037 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.139 11.050 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.869 11.984 -2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.306 8.889 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.036 7.837 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.168 8.562 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.479 12.676 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.284 11.959 -3.548 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.026 11.011 -2.238 1.00 0.00 H new ATOM 1106 N SER A 71 2.568 10.356 -0.679 1.00 0.00 N ATOM 1107 CA SER A 71 3.159 10.174 0.636 1.00 0.00 C ATOM 1108 C SER A 71 2.077 10.265 1.714 1.00 0.00 C ATOM 1109 O SER A 71 2.077 9.487 2.666 1.00 0.00 O ATOM 1110 CB SER A 71 4.255 11.210 0.895 1.00 0.00 C ATOM 1111 OG SER A 71 4.830 11.065 2.191 1.00 0.00 O ATOM 0 H SER A 71 2.123 11.262 -0.825 1.00 0.00 H new ATOM 0 HA SER A 71 3.615 9.185 0.672 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.034 11.110 0.139 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.838 12.212 0.793 1.00 0.00 H new ATOM 0 HG SER A 71 5.526 11.743 2.318 1.00 0.00 H new ATOM 1117 N VAL A 72 1.180 11.222 1.527 1.00 0.00 N ATOM 1118 CA VAL A 72 0.095 11.425 2.472 1.00 0.00 C ATOM 1119 C VAL A 72 -1.230 11.043 1.809 1.00 0.00 C ATOM 1120 O VAL A 72 -1.412 11.251 0.610 1.00 0.00 O ATOM 1121 CB VAL A 72 0.112 12.866 2.987 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -1.245 13.252 3.579 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.233 13.070 4.007 1.00 0.00 C ATOM 0 H VAL A 72 1.182 11.865 0.735 1.00 0.00 H new ATOM 0 HA VAL A 72 0.221 10.781 3.343 1.00 0.00 H new ATOM 0 HB VAL A 72 0.307 13.523 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.206 14.281 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.015 13.164 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.482 12.587 4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.223 14.102 4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.082 12.399 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.194 12.855 3.540 1.00 0.00 H new ATOM 1133 N ILE A 73 -2.122 10.490 2.618 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.425 10.077 2.125 1.00 0.00 C ATOM 1135 C ILE A 73 -4.517 10.691 3.004 1.00 0.00 C ATOM 1136 O ILE A 73 -4.567 10.436 4.206 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.501 8.552 2.025 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.465 8.015 1.036 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.919 8.096 1.675 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.906 8.263 -0.408 1.00 0.00 C ATOM 0 H ILE A 73 -1.968 10.318 3.612 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.584 10.448 1.113 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.260 8.133 3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.503 8.496 1.214 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.322 6.947 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.946 7.008 1.610 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.610 8.430 2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.213 8.524 0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.152 7.872 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.856 7.760 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.025 9.334 -0.573 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.363 11.489 2.370 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.451 12.142 3.080 1.00 0.00 C ATOM 1154 C LYS A 74 -7.624 11.169 3.212 1.00 0.00 C ATOM 1155 O LYS A 74 -7.547 10.032 2.749 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.820 13.461 2.398 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.565 14.242 2.001 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.923 15.441 1.120 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.662 16.160 0.635 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.761 17.613 0.899 1.00 0.00 N ATOM 0 H LYS A 74 -5.318 11.699 1.373 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.141 12.408 4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.423 13.261 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.431 14.064 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.047 14.586 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.877 13.586 1.467 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.507 15.106 0.263 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.549 16.135 1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.786 15.751 1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.525 15.987 -0.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.898 18.086 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.585 18.001 0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.870 17.774 1.921 1.00 0.00 H new ATOM 1174 N THR A 75 -8.682 11.651 3.846 1.00 0.00 N ATOM 1175 CA THR A 75 -9.870 10.838 4.045 1.00 0.00 C ATOM 1176 C THR A 75 -10.654 10.710 2.738 1.00 0.00 C ATOM 1177 O THR A 75 -10.668 11.633 1.925 1.00 0.00 O ATOM 1178 CB THR A 75 -10.683 11.459 5.183 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.752 11.568 6.256 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.759 10.512 5.718 1.00 0.00 C ATOM 0 H THR A 75 -8.742 12.595 4.229 1.00 0.00 H new ATOM 0 HA THR A 75 -9.608 9.819 4.331 1.00 0.00 H new ATOM 0 HB THR A 75 -11.151 12.380 4.834 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.196 11.963 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 75 -12.307 11.001 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.449 10.254 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.289 9.605 6.098 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.288 9.558 2.576 1.00 0.00 N ATOM 1189 CA GLY A 76 -12.073 9.298 1.381 1.00 0.00 C ATOM 1190 C GLY A 76 -11.173 8.888 0.213 1.00 0.00 C ATOM 1191 O GLY A 76 -11.661 8.589 -0.876 1.00 0.00 O ATOM 0 H GLY A 76 -11.274 8.794 3.252 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.797 8.508 1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.640 10.189 1.113 1.00 0.00 H new ATOM 1195 N MET A 77 -9.875 8.887 0.479 1.00 0.00 N ATOM 1196 CA MET A 77 -8.903 8.519 -0.536 1.00 0.00 C ATOM 1197 C MET A 77 -8.433 7.076 -0.347 1.00 0.00 C ATOM 1198 O MET A 77 -8.012 6.694 0.744 1.00 0.00 O ATOM 1199 CB MET A 77 -7.701 9.463 -0.458 1.00 0.00 C ATOM 1200 CG MET A 77 -8.130 10.915 -0.679 1.00 0.00 C ATOM 1201 SD MET A 77 -6.693 11.973 -0.738 1.00 0.00 S ATOM 1202 CE MET A 77 -5.945 11.395 -2.252 1.00 0.00 C ATOM 0 H MET A 77 -9.474 9.135 1.383 1.00 0.00 H new ATOM 0 HA MET A 77 -9.377 8.601 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.220 9.366 0.515 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.962 9.180 -1.208 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.692 10.999 -1.609 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.794 11.233 0.125 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.489 12.235 -2.776 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.180 10.654 -2.020 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.708 10.943 -2.885 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.519 6.312 -1.426 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.107 4.919 -1.393 1.00 0.00 C ATOM 1214 C ASP A 78 -6.599 4.832 -1.634 1.00 0.00 C ATOM 1215 O ASP A 78 -6.040 5.631 -2.384 1.00 0.00 O ATOM 1216 CB ASP A 78 -8.809 4.111 -2.486 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.337 4.120 -2.417 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -10.921 5.112 -2.905 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -10.887 3.135 -1.878 1.00 0.00 O ATOM 0 H ASP A 78 -8.868 6.632 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.372 4.512 -0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.502 4.499 -3.457 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.464 3.078 -2.432 1.00 0.00 H new ATOM 1224 N CYS A 79 -5.983 3.855 -0.984 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.551 3.653 -1.119 1.00 0.00 C ATOM 1226 C CYS A 79 -4.241 2.188 -0.805 1.00 0.00 C ATOM 1227 O CYS A 79 -4.989 1.533 -0.082 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.758 4.609 -0.225 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.379 4.517 1.494 1.00 0.00 S ATOM 0 H CYS A 79 -6.450 3.195 -0.362 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.244 3.877 -2.141 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.699 4.352 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.848 5.629 -0.599 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.490 3.940 2.246 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.135 1.718 -1.364 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.717 0.342 -1.153 1.00 0.00 C ATOM 1237 C GLY A 80 -1.319 0.284 -0.532 1.00 0.00 C ATOM 1238 O GLY A 80 -0.408 0.979 -0.979 1.00 0.00 O ATOM 0 H GLY A 80 -2.516 2.265 -1.962 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.430 -0.163 -0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.720 -0.193 -2.103 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.194 -0.553 0.488 1.00 0.00 N ATOM 1243 CA LEU A 81 0.076 -0.711 1.174 1.00 0.00 C ATOM 1244 C LEU A 81 0.458 -2.193 1.195 1.00 0.00 C ATOM 1245 O LEU A 81 -0.411 -3.061 1.242 1.00 0.00 O ATOM 1246 CB LEU A 81 0.019 -0.071 2.563 1.00 0.00 C ATOM 1247 CG LEU A 81 -1.096 -0.569 3.485 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.656 -1.818 4.251 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.568 0.542 4.424 1.00 0.00 C ATOM 0 H LEU A 81 -1.952 -1.129 0.855 1.00 0.00 H new ATOM 0 HA LEU A 81 0.866 -0.185 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 81 0.975 -0.239 3.058 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.092 1.006 2.441 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.949 -0.853 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.466 -2.152 4.899 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.407 -2.610 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.220 -1.584 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.361 0.162 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.732 0.880 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.948 1.378 3.837 1.00 0.00 H new ATOM 1261 N SER A 82 1.760 -2.436 1.160 1.00 0.00 N ATOM 1262 CA SER A 82 2.268 -3.797 1.174 1.00 0.00 C ATOM 1263 C SER A 82 3.333 -3.947 2.262 1.00 0.00 C ATOM 1264 O SER A 82 4.205 -3.091 2.404 1.00 0.00 O ATOM 1265 CB SER A 82 2.844 -4.184 -0.189 1.00 0.00 C ATOM 1266 OG SER A 82 2.012 -3.754 -1.262 1.00 0.00 O ATOM 0 H SER A 82 2.478 -1.713 1.122 1.00 0.00 H new ATOM 0 HA SER A 82 1.438 -4.469 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.836 -3.746 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.967 -5.266 -0.237 1.00 0.00 H new ATOM 0 HG SER A 82 2.564 -3.569 -2.050 1.00 0.00 H new ATOM 1272 N LEU A 83 3.227 -5.040 3.003 1.00 0.00 N ATOM 1273 CA LEU A 83 4.170 -5.313 4.074 1.00 0.00 C ATOM 1274 C LEU A 83 5.377 -6.062 3.507 1.00 0.00 C ATOM 1275 O LEU A 83 5.263 -6.758 2.498 1.00 0.00 O ATOM 1276 CB LEU A 83 3.477 -6.046 5.225 1.00 0.00 C ATOM 1277 CG LEU A 83 2.135 -5.467 5.677 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.499 -6.339 6.761 1.00 0.00 C ATOM 1279 CD2 LEU A 83 2.288 -4.013 6.127 1.00 0.00 C ATOM 0 H LEU A 83 2.502 -5.747 2.883 1.00 0.00 H new ATOM 0 HA LEU A 83 4.543 -4.381 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.321 -7.083 4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.152 -6.058 6.081 1.00 0.00 H new ATOM 0 HG LEU A 83 1.457 -5.469 4.823 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.546 -5.905 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.332 -7.342 6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.165 -6.392 7.623 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.319 -3.626 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.989 -3.962 6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.665 -3.414 5.299 1.00 0.00 H new ATOM 1291 N ASP A 84 6.507 -5.895 4.179 1.00 0.00 N ATOM 1292 CA ASP A 84 7.734 -6.547 3.754 1.00 0.00 C ATOM 1293 C ASP A 84 7.629 -8.049 4.026 1.00 0.00 C ATOM 1294 O ASP A 84 8.250 -8.854 3.333 1.00 0.00 O ATOM 1295 CB ASP A 84 8.940 -6.009 4.527 1.00 0.00 C ATOM 1296 CG ASP A 84 10.143 -6.952 4.585 1.00 0.00 C ATOM 1297 OD1 ASP A 84 10.075 -7.911 5.383 1.00 0.00 O ATOM 1298 OD2 ASP A 84 11.105 -6.691 3.829 1.00 0.00 O ATOM 0 H ASP A 84 6.598 -5.318 5.015 1.00 0.00 H new ATOM 0 HA ASP A 84 7.870 -6.349 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.255 -5.070 4.072 1.00 0.00 H new ATOM 0 HB3 ASP A 84 8.627 -5.780 5.546 1.00 0.00 H new ATOM 1303 N GLU A 85 6.839 -8.381 5.036 1.00 0.00 N ATOM 1304 CA GLU A 85 6.645 -9.772 5.408 1.00 0.00 C ATOM 1305 C GLU A 85 5.423 -10.348 4.690 1.00 0.00 C ATOM 1306 O GLU A 85 4.324 -10.362 5.242 1.00 0.00 O ATOM 1307 CB GLU A 85 6.510 -9.920 6.925 1.00 0.00 C ATOM 1308 CG GLU A 85 6.863 -11.340 7.371 1.00 0.00 C ATOM 1309 CD GLU A 85 8.293 -11.406 7.912 1.00 0.00 C ATOM 1310 OE1 GLU A 85 9.218 -11.197 7.097 1.00 0.00 O ATOM 1311 OE2 GLU A 85 8.429 -11.663 9.127 1.00 0.00 O ATOM 0 H GLU A 85 6.326 -7.711 5.608 1.00 0.00 H new ATOM 0 HA GLU A 85 7.524 -10.337 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.165 -9.205 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.490 -9.683 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.164 -11.668 8.140 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.756 -12.026 6.531 1.00 0.00 H new ATOM 1318 N GLU A 86 5.656 -10.809 3.470 1.00 0.00 N ATOM 1319 CA GLU A 86 4.588 -11.385 2.671 1.00 0.00 C ATOM 1320 C GLU A 86 3.808 -12.415 3.490 1.00 0.00 C ATOM 1321 O GLU A 86 2.642 -12.686 3.207 1.00 0.00 O ATOM 1322 CB GLU A 86 5.139 -12.008 1.387 1.00 0.00 C ATOM 1323 CG GLU A 86 6.153 -13.109 1.703 1.00 0.00 C ATOM 1324 CD GLU A 86 6.369 -14.020 0.493 1.00 0.00 C ATOM 1325 OE1 GLU A 86 5.351 -14.372 -0.141 1.00 0.00 O ATOM 1326 OE2 GLU A 86 7.547 -14.343 0.229 1.00 0.00 O ATOM 0 H GLU A 86 6.569 -10.795 3.015 1.00 0.00 H new ATOM 0 HA GLU A 86 3.904 -10.586 2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.320 -12.421 0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.612 -11.237 0.778 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.101 -12.661 1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.802 -13.700 2.549 1.00 0.00 H new ATOM 1333 N LYS A 87 4.484 -12.963 4.490 1.00 0.00 N ATOM 1334 CA LYS A 87 3.869 -13.958 5.353 1.00 0.00 C ATOM 1335 C LYS A 87 2.540 -13.415 5.884 1.00 0.00 C ATOM 1336 O LYS A 87 1.532 -14.119 5.880 1.00 0.00 O ATOM 1337 CB LYS A 87 4.841 -14.388 6.453 1.00 0.00 C ATOM 1338 CG LYS A 87 5.260 -15.848 6.274 1.00 0.00 C ATOM 1339 CD LYS A 87 5.431 -16.539 7.628 1.00 0.00 C ATOM 1340 CE LYS A 87 6.315 -17.782 7.502 1.00 0.00 C ATOM 1341 NZ LYS A 87 7.724 -17.449 7.807 1.00 0.00 N ATOM 0 H LYS A 87 5.451 -12.737 4.722 1.00 0.00 H new ATOM 0 HA LYS A 87 3.642 -14.863 4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.723 -13.748 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.373 -14.257 7.429 1.00 0.00 H new ATOM 0 HG2 LYS A 87 4.510 -16.376 5.685 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.195 -15.896 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.874 -15.844 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.455 -16.821 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.963 -18.557 8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.241 -18.187 6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.310 -18.303 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.062 -16.726 7.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.792 -17.084 8.778 1.00 0.00 H new ATOM 1355 N VAL A 88 2.583 -12.167 6.328 1.00 0.00 N ATOM 1356 CA VAL A 88 1.395 -11.522 6.861 1.00 0.00 C ATOM 1357 C VAL A 88 0.383 -11.314 5.733 1.00 0.00 C ATOM 1358 O VAL A 88 0.712 -10.738 4.698 1.00 0.00 O ATOM 1359 CB VAL A 88 1.779 -10.220 7.567 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.548 -9.539 8.169 1.00 0.00 C ATOM 1361 CG2 VAL A 88 2.845 -10.470 8.637 1.00 0.00 C ATOM 0 H VAL A 88 3.421 -11.586 6.330 1.00 0.00 H new ATOM 0 HA VAL A 88 0.920 -12.155 7.611 1.00 0.00 H new ATOM 0 HB VAL A 88 2.203 -9.547 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.849 -8.616 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.165 -9.310 7.377 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.082 -10.205 8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.100 -9.529 9.123 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.459 -11.169 9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.736 -10.891 8.171 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.829 -11.795 5.972 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.891 -11.670 4.989 1.00 0.00 C ATOM 1373 C GLU A 89 -3.043 -10.837 5.556 1.00 0.00 C ATOM 1374 O GLU A 89 -3.510 -11.091 6.664 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.382 -13.045 4.532 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.772 -12.950 3.901 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.242 -14.317 3.401 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -3.383 -15.051 2.866 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -5.449 -14.597 3.564 1.00 0.00 O ATOM 0 H GLU A 89 -1.098 -12.272 6.832 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.491 -11.156 4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.680 -13.465 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.411 -13.726 5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.481 -12.563 4.632 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.751 -12.243 3.072 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.467 -9.859 4.769 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.555 -8.987 5.178 1.00 0.00 C ATOM 1388 C PHE A 90 -5.910 -9.665 4.964 1.00 0.00 C ATOM 1389 O PHE A 90 -5.979 -10.878 4.776 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.480 -7.736 4.301 1.00 0.00 C ATOM 1391 CG PHE A 90 -3.053 -7.296 3.966 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.374 -6.482 4.818 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.464 -7.720 2.816 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -1.050 -6.074 4.506 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -1.140 -7.312 2.504 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.461 -6.497 3.356 1.00 0.00 C ATOM 0 H PHE A 90 -3.077 -9.651 3.850 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.462 -8.747 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.019 -7.923 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.992 -6.918 4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.842 -6.146 5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.003 -8.367 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.511 -5.427 5.183 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.672 -7.649 1.591 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.546 -6.186 3.119 1.00 0.00 H new ATOM 1406 N LYS A 91 -6.955 -8.850 5.000 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.304 -9.356 4.812 1.00 0.00 C ATOM 1408 C LYS A 91 -9.300 -8.202 4.948 1.00 0.00 C ATOM 1409 O LYS A 91 -9.017 -7.210 5.618 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.578 -10.520 5.766 1.00 0.00 C ATOM 1411 CG LYS A 91 -8.453 -11.863 5.043 1.00 0.00 C ATOM 1412 CD LYS A 91 -9.828 -12.500 4.829 1.00 0.00 C ATOM 1413 CE LYS A 91 -9.785 -14.003 5.109 1.00 0.00 C ATOM 1414 NZ LYS A 91 -10.897 -14.692 4.417 1.00 0.00 N ATOM 0 H LYS A 91 -6.894 -7.844 5.156 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.422 -9.763 3.808 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -7.876 -10.485 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.578 -10.422 6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.962 -11.718 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -7.823 -12.536 5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -10.559 -12.025 5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.158 -12.327 3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -8.832 -14.414 4.776 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.851 -14.181 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.852 -15.711 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.804 -14.312 4.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -10.817 -14.538 3.392 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.475 -8.375 4.286 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.514 -7.360 4.327 1.00 0.00 C ATOM 1430 C PRO A 92 -12.234 -7.367 5.676 1.00 0.00 C ATOM 1431 O PRO A 92 -13.457 -7.486 5.731 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.432 -7.691 3.161 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.140 -9.137 2.797 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.844 -9.538 3.483 1.00 0.00 C ATOM 0 HA PRO A 92 -11.119 -6.349 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.478 -7.562 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.243 -7.030 2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.957 -9.784 3.117 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.050 -9.248 1.716 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -10.983 -10.422 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.069 -9.779 2.756 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.445 -7.238 6.733 1.00 0.00 N ATOM 1443 CA GLY A 93 -11.992 -7.228 8.079 1.00 0.00 C ATOM 1444 C GLY A 93 -10.894 -6.978 9.115 1.00 0.00 C ATOM 1445 O GLY A 93 -10.951 -7.507 10.224 1.00 0.00 O ATOM 0 H GLY A 93 -10.431 -7.140 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.756 -6.454 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.480 -8.181 8.284 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.921 -6.173 8.717 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.812 -5.847 9.597 1.00 0.00 C ATOM 1451 C ASP A 94 -8.764 -4.332 9.810 1.00 0.00 C ATOM 1452 O ASP A 94 -9.680 -3.616 9.411 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.478 -6.281 8.986 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.431 -7.731 8.502 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.473 -8.408 8.633 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.353 -8.130 8.010 1.00 0.00 O ATOM 0 H ASP A 94 -9.877 -5.736 7.796 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.964 -6.372 10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.250 -5.625 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.692 -6.135 9.727 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.685 -3.889 10.439 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.505 -2.473 10.710 1.00 0.00 C ATOM 1463 C GLN A 95 -6.033 -2.085 10.551 1.00 0.00 C ATOM 1464 O GLN A 95 -5.144 -2.905 10.775 1.00 0.00 O ATOM 1465 CB GLN A 95 -8.020 -2.112 12.104 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.458 -1.593 12.040 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.768 -0.689 13.235 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -8.943 -0.459 14.104 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -11.001 -0.190 13.230 1.00 0.00 N ATOM 0 H GLN A 95 -6.927 -4.486 10.769 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.090 -1.907 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.974 -2.988 12.751 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.375 -1.354 12.549 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.608 -1.040 11.113 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -10.152 -2.434 12.026 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.642 -0.423 12.472 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.305 0.425 13.984 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.822 -0.835 10.166 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.474 -0.328 9.975 1.00 0.00 C ATOM 1480 C VAL A 96 -4.323 1.001 10.718 1.00 0.00 C ATOM 1481 O VAL A 96 -4.722 2.048 10.211 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.164 -0.216 8.481 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -2.975 0.715 8.236 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -3.916 -1.596 7.868 1.00 0.00 C ATOM 0 H VAL A 96 -6.562 -0.158 9.981 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.743 -1.019 10.394 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.035 0.217 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.776 0.777 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.206 1.709 8.620 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.095 0.324 8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.698 -1.488 6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.069 -2.069 8.366 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.804 -2.215 7.995 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.746 0.915 11.908 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.537 2.097 12.725 1.00 0.00 C ATOM 1496 C ILE A 97 -2.184 2.721 12.377 1.00 0.00 C ATOM 1497 O ILE A 97 -1.142 2.093 12.559 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.694 1.757 14.209 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -5.168 1.567 14.575 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.017 2.811 15.088 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.825 0.518 13.676 1.00 0.00 C ATOM 0 H ILE A 97 -3.417 0.044 12.325 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.298 2.847 12.511 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.190 0.809 14.397 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.251 1.261 15.618 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.696 2.516 14.478 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.144 2.545 16.138 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -1.954 2.855 14.850 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.470 3.785 14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.872 0.402 13.957 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.762 0.839 12.636 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.310 -0.436 13.793 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.244 3.949 11.883 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.036 4.664 11.507 1.00 0.00 C ATOM 1515 C CYS A 98 -0.652 5.595 12.659 1.00 0.00 C ATOM 1516 O CYS A 98 -1.245 6.659 12.826 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.216 5.426 10.193 1.00 0.00 C ATOM 1518 SG CYS A 98 0.166 6.603 9.959 1.00 0.00 S ATOM 0 H CYS A 98 -3.110 4.467 11.734 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.229 3.953 11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.253 4.725 9.359 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.165 5.963 10.201 1.00 0.00 H new ATOM 0 HG CYS A 98 0.974 6.148 9.048 1.00 0.00 H new ATOM 1524 N TYR A 99 0.339 5.159 13.424 1.00 0.00 N ATOM 1525 CA TYR A 99 0.810 5.941 14.555 1.00 0.00 C ATOM 1526 C TYR A 99 2.328 5.824 14.708 1.00 0.00 C ATOM 1527 O TYR A 99 2.974 5.081 13.972 1.00 0.00 O ATOM 1528 CB TYR A 99 0.137 5.340 15.791 1.00 0.00 C ATOM 1529 CG TYR A 99 0.853 4.111 16.354 1.00 0.00 C ATOM 1530 CD1 TYR A 99 0.926 2.953 15.607 1.00 0.00 C ATOM 1531 CD2 TYR A 99 1.426 4.160 17.609 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.600 1.796 16.137 1.00 0.00 C ATOM 1533 CE2 TYR A 99 2.100 3.003 18.138 1.00 0.00 C ATOM 1534 CZ TYR A 99 2.154 1.878 17.376 1.00 0.00 C ATOM 1535 OH TYR A 99 2.790 0.785 17.877 1.00 0.00 O ATOM 0 H TYR A 99 0.828 4.275 13.283 1.00 0.00 H new ATOM 0 HA TYR A 99 0.571 6.996 14.419 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.080 6.102 16.568 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.887 5.067 15.537 1.00 0.00 H new ATOM 0 HD1 TYR A 99 0.478 2.914 14.625 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.369 5.066 18.194 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.664 0.883 15.563 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.553 3.028 19.118 1.00 0.00 H new ATOM 0 HH TYR A 99 3.137 0.990 18.770 1.00 0.00 H new