USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 41:sc= 1.19 USER MOD Set 1.2: A 90 SER OG : rot 77:sc= 0.166 USER MOD Set 2.1: A 39 CYS SG : rot -10:sc= 0.457 USER MOD Set 2.2: A 54 SER OG : rot 124:sc= -0.114 USER MOD Set 3.1: A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 29 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.722 (180deg=-1.1) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.162 (180deg=0.0999) USER MOD Single : A 20 GLN : amide:sc= 0.173 X(o=0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -60:sc= -0.75 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0367) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.84! C(o=-2.8!,f=-2.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00243) USER MOD Single : A 75 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.1!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= -2.99! C(o=-3!,f=-4.8!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0155 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -0.376 K(o=-0.38,f=-2.5!) USER MOD Single : A 102 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.77) USER MOD Single : A 104 MET CE :methyl -176:sc= -1.67 (180deg=-1.68) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -1.116 -1.210 13.035 1.00 0.00 N ATOM 105 CA VAL A 11 -1.073 -2.083 11.868 1.00 0.00 C ATOM 106 C VAL A 11 -2.444 -2.188 11.210 1.00 0.00 C ATOM 107 O VAL A 11 -3.451 -2.422 11.880 1.00 0.00 O ATOM 108 CB VAL A 11 -0.584 -3.495 12.241 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.607 -4.407 11.024 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.811 -3.434 12.845 1.00 0.00 C ATOM 0 HA VAL A 11 -0.369 -1.638 11.165 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.261 -3.909 12.988 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.258 -5.400 11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.625 -4.476 10.640 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.046 -4.000 10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.140 -4.441 13.103 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.502 -3.000 12.122 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.792 -2.818 13.744 1.00 0.00 H new ATOM 120 N THR A 12 -2.477 -2.016 9.892 1.00 0.00 N ATOM 121 CA THR A 12 -3.725 -2.091 9.143 1.00 0.00 C ATOM 122 C THR A 12 -4.076 -3.535 8.804 1.00 0.00 C ATOM 123 O THR A 12 -5.166 -4.011 9.123 1.00 0.00 O ATOM 124 CB THR A 12 -3.647 -1.274 7.839 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.883 -0.082 8.053 1.00 0.00 O ATOM 126 CG2 THR A 12 -5.039 -0.908 7.346 1.00 0.00 C ATOM 0 H THR A 12 -1.654 -1.824 9.322 1.00 0.00 H new ATOM 0 HA THR A 12 -4.503 -1.671 9.781 1.00 0.00 H new ATOM 0 HB THR A 12 -3.159 -1.887 7.081 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.837 0.431 7.219 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.959 -0.332 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.609 -1.818 7.157 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.548 -0.312 8.103 1.00 0.00 H new ATOM 134 N LYS A 13 -3.147 -4.229 8.157 1.00 0.00 N ATOM 135 CA LYS A 13 -3.357 -5.621 7.776 1.00 0.00 C ATOM 136 C LYS A 13 -2.033 -6.375 7.718 1.00 0.00 C ATOM 137 O LYS A 13 -0.984 -5.788 7.455 1.00 0.00 O ATOM 138 CB LYS A 13 -4.060 -5.699 6.418 1.00 0.00 C ATOM 139 CG LYS A 13 -4.670 -7.059 6.127 1.00 0.00 C ATOM 140 CD LYS A 13 -5.302 -7.102 4.746 1.00 0.00 C ATOM 141 CE LYS A 13 -6.142 -8.356 4.556 1.00 0.00 C ATOM 142 NZ LYS A 13 -7.209 -8.471 5.588 1.00 0.00 N ATOM 0 H LYS A 13 -2.240 -3.850 7.885 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.988 -6.087 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.844 -4.943 6.380 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.344 -5.456 5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.900 -7.827 6.200 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.423 -7.290 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.926 -6.220 4.603 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.521 -7.067 3.986 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.595 -8.342 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.498 -9.234 4.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.889 -9.205 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.783 -8.729 6.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.701 -7.560 5.681 1.00 0.00 H new ATOM 156 N ALA A 14 -2.089 -7.680 7.965 1.00 0.00 N ATOM 157 CA ALA A 14 -0.894 -8.514 7.938 1.00 0.00 C ATOM 158 C ALA A 14 -1.247 -9.969 7.645 1.00 0.00 C ATOM 159 O ALA A 14 -2.191 -10.515 8.214 1.00 0.00 O ATOM 160 CB ALA A 14 -0.145 -8.406 9.258 1.00 0.00 C ATOM 0 H ALA A 14 -2.949 -8.182 8.186 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.248 -8.155 7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.745 -9.034 9.224 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.148 -7.370 9.426 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.791 -8.737 10.071 1.00 0.00 H new ATOM 166 N GLY A 15 -0.482 -10.591 6.753 1.00 0.00 N ATOM 167 CA GLY A 15 -0.731 -11.977 6.401 1.00 0.00 C ATOM 168 C GLY A 15 0.361 -12.557 5.525 1.00 0.00 C ATOM 169 O GLY A 15 1.209 -11.826 5.013 1.00 0.00 O ATOM 0 H GLY A 15 0.305 -10.160 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.816 -12.570 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.687 -12.051 5.882 1.00 0.00 H new ATOM 173 N TRP A 16 0.342 -13.874 5.353 1.00 0.00 N ATOM 174 CA TRP A 16 1.340 -14.552 4.535 1.00 0.00 C ATOM 175 C TRP A 16 1.029 -14.390 3.051 1.00 0.00 C ATOM 176 O TRP A 16 -0.016 -14.834 2.574 1.00 0.00 O ATOM 177 CB TRP A 16 1.403 -16.037 4.896 1.00 0.00 C ATOM 178 CG TRP A 16 2.070 -16.301 6.212 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.457 -16.536 7.409 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.479 -16.354 6.462 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.400 -16.733 8.389 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.648 -16.627 7.834 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.614 -16.201 5.662 1.00 0.00 C ATOM 184 CZ2 TRP A 16 4.906 -16.747 8.419 1.00 0.00 C ATOM 185 CZ3 TRP A 16 5.861 -16.320 6.244 1.00 0.00 C ATOM 186 CH2 TRP A 16 5.999 -16.592 7.612 1.00 0.00 C ATOM 0 H TRP A 16 -0.354 -14.493 5.769 1.00 0.00 H new ATOM 0 HA TRP A 16 2.309 -14.095 4.736 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.391 -16.440 4.923 1.00 0.00 H new ATOM 0 HB3 TRP A 16 1.939 -16.572 4.112 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.388 -16.563 7.563 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.203 -16.927 9.371 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.518 -15.993 4.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.015 -16.955 9.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 6.745 -16.201 5.635 1.00 0.00 H new ATOM 0 HH2 TRP A 16 6.988 -16.681 8.037 1.00 0.00 H new ATOM 197 N LEU A 17 1.941 -13.752 2.326 1.00 0.00 N ATOM 198 CA LEU A 17 1.764 -13.532 0.895 1.00 0.00 C ATOM 199 C LEU A 17 3.014 -13.939 0.122 1.00 0.00 C ATOM 200 O LEU A 17 4.137 -13.715 0.574 1.00 0.00 O ATOM 201 CB LEU A 17 1.438 -12.062 0.622 1.00 0.00 C ATOM 202 CG LEU A 17 0.019 -11.613 0.973 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.101 -10.100 0.878 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.995 -12.289 0.061 1.00 0.00 C ATOM 0 H LEU A 17 2.811 -13.378 2.706 1.00 0.00 H new ATOM 0 HA LEU A 17 0.933 -14.152 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.142 -11.445 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.609 -11.863 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.192 -11.910 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.118 -9.799 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.599 -9.635 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.130 -9.780 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.999 -11.958 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.786 -12.024 -0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.927 -13.370 0.179 1.00 0.00 H new ATOM 216 N PHE A 18 2.812 -14.537 -1.047 1.00 0.00 N ATOM 217 CA PHE A 18 3.923 -14.975 -1.884 1.00 0.00 C ATOM 218 C PHE A 18 4.332 -13.877 -2.862 1.00 0.00 C ATOM 219 O PHE A 18 3.492 -13.294 -3.546 1.00 0.00 O ATOM 220 CB PHE A 18 3.542 -16.242 -2.653 1.00 0.00 C ATOM 221 CG PHE A 18 3.398 -17.454 -1.777 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.475 -17.472 -0.743 1.00 0.00 C ATOM 223 CD2 PHE A 18 4.185 -18.574 -1.987 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.342 -18.585 0.065 1.00 0.00 C ATOM 225 CE2 PHE A 18 4.056 -19.691 -1.182 1.00 0.00 C ATOM 226 CZ PHE A 18 3.132 -19.697 -0.156 1.00 0.00 C ATOM 0 H PHE A 18 1.889 -14.730 -1.437 1.00 0.00 H new ATOM 0 HA PHE A 18 4.770 -15.194 -1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.603 -16.070 -3.179 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.300 -16.439 -3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.853 -16.607 -0.567 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.908 -18.575 -2.789 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.621 -18.586 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.677 -20.557 -1.356 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.027 -20.569 0.472 1.00 0.00 H new ATOM 236 N LYS A 19 5.631 -13.601 -2.923 1.00 0.00 N ATOM 237 CA LYS A 19 6.154 -12.575 -3.816 1.00 0.00 C ATOM 238 C LYS A 19 6.838 -13.204 -5.026 1.00 0.00 C ATOM 239 O LYS A 19 7.903 -13.808 -4.903 1.00 0.00 O ATOM 240 CB LYS A 19 7.142 -11.675 -3.070 1.00 0.00 C ATOM 241 CG LYS A 19 7.299 -10.298 -3.691 1.00 0.00 C ATOM 242 CD LYS A 19 7.843 -9.293 -2.689 1.00 0.00 C ATOM 243 CE LYS A 19 8.680 -8.222 -3.372 1.00 0.00 C ATOM 244 NZ LYS A 19 9.756 -7.707 -2.480 1.00 0.00 N ATOM 0 H LYS A 19 6.341 -14.074 -2.364 1.00 0.00 H new ATOM 0 HA LYS A 19 5.316 -11.973 -4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.810 -11.563 -2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.116 -12.164 -3.041 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.970 -10.359 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.335 -9.955 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.016 -8.825 -2.156 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.449 -9.811 -1.945 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.125 -8.632 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.036 -7.398 -3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.066 -6.772 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.392 -7.625 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.562 -8.364 -2.493 1.00 0.00 H new ATOM 258 N GLN A 20 6.219 -13.056 -6.193 1.00 0.00 N ATOM 259 CA GLN A 20 6.770 -13.610 -7.424 1.00 0.00 C ATOM 260 C GLN A 20 8.228 -13.200 -7.601 1.00 0.00 C ATOM 261 O GLN A 20 8.567 -12.020 -7.510 1.00 0.00 O ATOM 262 CB GLN A 20 5.948 -13.147 -8.629 1.00 0.00 C ATOM 263 CG GLN A 20 6.094 -14.046 -9.846 1.00 0.00 C ATOM 264 CD GLN A 20 5.418 -13.475 -11.077 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.788 -12.406 -11.563 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.421 -14.187 -11.589 1.00 0.00 N ATOM 0 H GLN A 20 5.337 -12.558 -6.312 1.00 0.00 H new ATOM 0 HA GLN A 20 6.723 -14.697 -7.356 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.897 -13.101 -8.345 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.250 -12.135 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.153 -14.199 -10.055 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.669 -15.025 -9.623 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.147 -15.068 -11.154 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.929 -13.853 -12.418 1.00 0.00 H new ATOM 275 N ALA A 21 9.087 -14.182 -7.854 1.00 0.00 N ATOM 276 CA ALA A 21 10.509 -13.923 -8.045 1.00 0.00 C ATOM 277 C ALA A 21 10.735 -12.864 -9.119 1.00 0.00 C ATOM 278 O ALA A 21 9.847 -12.585 -9.924 1.00 0.00 O ATOM 279 CB ALA A 21 11.236 -15.209 -8.408 1.00 0.00 C ATOM 0 H ALA A 21 8.823 -15.164 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 21 10.913 -13.543 -7.107 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.297 -15.000 -8.548 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.112 -15.936 -7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.821 -15.613 -9.331 1.00 0.00 H new ATOM 352 N GLN A 27 9.673 -18.690 -9.879 1.00 0.00 N ATOM 353 CA GLN A 27 9.250 -19.372 -8.662 1.00 0.00 C ATOM 354 C GLN A 27 8.807 -18.370 -7.602 1.00 0.00 C ATOM 355 O GLN A 27 9.329 -17.258 -7.528 1.00 0.00 O ATOM 356 CB GLN A 27 10.386 -20.240 -8.117 1.00 0.00 C ATOM 357 CG GLN A 27 11.558 -19.437 -7.574 1.00 0.00 C ATOM 358 CD GLN A 27 12.607 -20.310 -6.915 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.675 -20.549 -7.479 1.00 0.00 O ATOM 360 NE2 GLN A 27 12.309 -20.790 -5.713 1.00 0.00 N ATOM 0 HA GLN A 27 8.402 -20.010 -8.910 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.996 -20.879 -7.325 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.743 -20.897 -8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.017 -18.875 -8.388 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.191 -18.708 -6.851 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.412 -20.566 -5.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.977 -21.382 -5.220 1.00 0.00 H new ATOM 369 N TRP A 28 7.840 -18.771 -6.784 1.00 0.00 N ATOM 370 CA TRP A 28 7.326 -17.906 -5.727 1.00 0.00 C ATOM 371 C TRP A 28 7.973 -18.240 -4.387 1.00 0.00 C ATOM 372 O TRP A 28 8.275 -19.399 -4.106 1.00 0.00 O ATOM 373 CB TRP A 28 5.806 -18.043 -5.622 1.00 0.00 C ATOM 374 CG TRP A 28 5.092 -17.732 -6.903 1.00 0.00 C ATOM 375 CD1 TRP A 28 5.134 -18.454 -8.061 1.00 0.00 C ATOM 376 CD2 TRP A 28 4.231 -16.616 -7.154 1.00 0.00 C ATOM 377 NE1 TRP A 28 4.351 -17.854 -9.018 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.785 -16.725 -8.486 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.791 -15.537 -6.383 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.924 -15.795 -9.061 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.936 -14.614 -6.955 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.509 -14.748 -8.283 1.00 0.00 C ATOM 0 H TRP A 28 7.396 -19.688 -6.832 1.00 0.00 H new ATOM 0 HA TRP A 28 7.574 -16.876 -5.982 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.560 -19.060 -5.315 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.441 -17.377 -4.840 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.699 -19.363 -8.204 1.00 0.00 H new ATOM 0 HE1 TRP A 28 4.213 -18.194 -9.970 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.113 -15.426 -5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.595 -15.896 -10.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.591 -13.775 -6.369 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.839 -14.011 -8.701 1.00 0.00 H new ATOM 393 N ASN A 29 8.182 -17.218 -3.565 1.00 0.00 N ATOM 394 CA ASN A 29 8.793 -17.404 -2.254 1.00 0.00 C ATOM 395 C ASN A 29 7.925 -16.796 -1.157 1.00 0.00 C ATOM 396 O ASN A 29 7.809 -15.575 -1.047 1.00 0.00 O ATOM 397 CB ASN A 29 10.187 -16.775 -2.224 1.00 0.00 C ATOM 398 CG ASN A 29 11.059 -17.246 -3.372 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.060 -18.427 -3.721 1.00 0.00 O ATOM 400 ND2 ASN A 29 11.807 -16.322 -3.965 1.00 0.00 N ATOM 0 H ASN A 29 7.937 -16.252 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 29 8.881 -18.475 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.094 -15.690 -2.264 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.672 -17.019 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.414 -16.580 -4.743 1.00 0.00 H new ATOM 0 HD22 ASN A 29 11.774 -15.355 -3.642 1.00 0.00 H new ATOM 407 N LYS A 30 7.316 -17.655 -0.347 1.00 0.00 N ATOM 408 CA LYS A 30 6.460 -17.204 0.744 1.00 0.00 C ATOM 409 C LYS A 30 7.175 -16.168 1.605 1.00 0.00 C ATOM 410 O LYS A 30 8.368 -16.293 1.881 1.00 0.00 O ATOM 411 CB LYS A 30 6.031 -18.392 1.608 1.00 0.00 C ATOM 412 CG LYS A 30 4.885 -18.075 2.553 1.00 0.00 C ATOM 413 CD LYS A 30 4.261 -19.340 3.118 1.00 0.00 C ATOM 414 CE LYS A 30 3.280 -19.026 4.236 1.00 0.00 C ATOM 415 NZ LYS A 30 2.767 -20.263 4.888 1.00 0.00 N ATOM 0 H LYS A 30 7.399 -18.669 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 30 5.575 -16.740 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.737 -19.216 0.958 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.886 -18.735 2.190 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.248 -17.451 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.126 -17.498 2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.747 -19.880 2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.045 -19.997 3.494 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.768 -18.398 4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.444 -18.453 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.101 -20.006 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.279 -20.851 4.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.562 -20.797 5.293 1.00 0.00 H new ATOM 429 N ARG A 31 6.438 -15.145 2.027 1.00 0.00 N ATOM 430 CA ARG A 31 7.002 -14.088 2.857 1.00 0.00 C ATOM 431 C ARG A 31 5.911 -13.389 3.663 1.00 0.00 C ATOM 432 O ARG A 31 4.769 -13.281 3.217 1.00 0.00 O ATOM 433 CB ARG A 31 7.742 -13.069 1.988 1.00 0.00 C ATOM 434 CG ARG A 31 8.838 -12.319 2.728 1.00 0.00 C ATOM 435 CD ARG A 31 10.069 -13.188 2.930 1.00 0.00 C ATOM 436 NE ARG A 31 11.019 -13.055 1.829 1.00 0.00 N ATOM 437 CZ ARG A 31 11.021 -13.844 0.760 1.00 0.00 C ATOM 438 NH1 ARG A 31 10.127 -14.817 0.649 1.00 0.00 N ATOM 439 NH2 ARG A 31 11.918 -13.660 -0.200 1.00 0.00 N ATOM 0 H ARG A 31 5.449 -15.026 1.807 1.00 0.00 H new ATOM 0 HA ARG A 31 7.708 -14.543 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.179 -13.583 1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.024 -12.350 1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.111 -11.425 2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.463 -11.987 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.557 -12.913 3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.765 -14.231 3.023 1.00 0.00 H new ATOM 0 HE ARG A 31 11.720 -12.316 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.436 -14.961 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 31 10.130 -15.421 -0.173 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.607 -12.912 -0.118 1.00 0.00 H new ATOM 0 HH22 ARG A 31 11.919 -14.266 -1.020 1.00 0.00 H new ATOM 453 N TRP A 32 6.272 -12.917 4.851 1.00 0.00 N ATOM 454 CA TRP A 32 5.323 -12.229 5.719 1.00 0.00 C ATOM 455 C TRP A 32 5.167 -10.769 5.306 1.00 0.00 C ATOM 456 O TRP A 32 6.144 -10.022 5.249 1.00 0.00 O ATOM 457 CB TRP A 32 5.780 -12.313 7.176 1.00 0.00 C ATOM 458 CG TRP A 32 4.795 -11.729 8.143 1.00 0.00 C ATOM 459 CD1 TRP A 32 4.989 -10.653 8.961 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.463 -12.191 8.393 1.00 0.00 C ATOM 461 NE1 TRP A 32 3.858 -10.417 9.704 1.00 0.00 N ATOM 462 CE2 TRP A 32 2.907 -11.347 9.374 1.00 0.00 C ATOM 463 CE3 TRP A 32 2.686 -13.234 7.883 1.00 0.00 C ATOM 464 CZ2 TRP A 32 1.611 -11.516 9.854 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.399 -13.400 8.360 1.00 0.00 C ATOM 466 CH2 TRP A 32 0.872 -12.545 9.337 1.00 0.00 C ATOM 0 H TRP A 32 7.214 -12.998 5.235 1.00 0.00 H new ATOM 0 HA TRP A 32 4.355 -12.721 5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.956 -13.357 7.434 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.733 -11.794 7.281 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.898 -10.073 9.016 1.00 0.00 H new ATOM 0 HE1 TRP A 32 3.744 -9.671 10.390 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.083 -13.898 7.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.204 -10.858 10.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.789 -14.203 7.973 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.137 -12.701 9.689 1.00 0.00 H new ATOM 477 N PHE A 33 3.933 -10.369 5.020 1.00 0.00 N ATOM 478 CA PHE A 33 3.649 -8.998 4.611 1.00 0.00 C ATOM 479 C PHE A 33 2.791 -8.286 5.653 1.00 0.00 C ATOM 480 O PHE A 33 1.943 -8.901 6.301 1.00 0.00 O ATOM 481 CB PHE A 33 2.942 -8.983 3.255 1.00 0.00 C ATOM 482 CG PHE A 33 3.853 -9.288 2.100 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.240 -10.591 1.832 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.323 -8.271 1.284 1.00 0.00 C ATOM 485 CE1 PHE A 33 5.078 -10.875 0.770 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.161 -8.550 0.221 1.00 0.00 C ATOM 487 CZ PHE A 33 5.540 -9.853 -0.036 1.00 0.00 C ATOM 0 H PHE A 33 3.113 -10.974 5.064 1.00 0.00 H new ATOM 0 HA PHE A 33 4.598 -8.468 4.524 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.131 -9.711 3.269 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.489 -8.004 3.101 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.883 -11.394 2.460 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.031 -7.250 1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.371 -11.895 0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.519 -7.749 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.196 -10.072 -0.865 1.00 0.00 H new ATOM 497 N VAL A 34 3.017 -6.986 5.810 1.00 0.00 N ATOM 498 CA VAL A 34 2.265 -6.189 6.772 1.00 0.00 C ATOM 499 C VAL A 34 2.003 -4.786 6.238 1.00 0.00 C ATOM 500 O VAL A 34 2.908 -3.953 6.177 1.00 0.00 O ATOM 501 CB VAL A 34 3.009 -6.084 8.117 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.196 -5.273 9.114 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.314 -7.469 8.666 1.00 0.00 C ATOM 0 H VAL A 34 3.715 -6.462 5.283 1.00 0.00 H new ATOM 0 HA VAL A 34 1.314 -6.698 6.930 1.00 0.00 H new ATOM 0 HB VAL A 34 3.955 -5.568 7.951 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.737 -5.209 10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.034 -4.270 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.234 -5.758 9.279 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.840 -7.376 9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.382 -8.013 8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.939 -8.012 7.957 1.00 0.00 H new ATOM 513 N LEU A 35 0.758 -4.529 5.851 1.00 0.00 N ATOM 514 CA LEU A 35 0.375 -3.225 5.322 1.00 0.00 C ATOM 515 C LEU A 35 0.551 -2.136 6.375 1.00 0.00 C ATOM 516 O LEU A 35 0.108 -2.283 7.515 1.00 0.00 O ATOM 517 CB LEU A 35 -1.077 -3.255 4.840 1.00 0.00 C ATOM 518 CG LEU A 35 -1.691 -1.903 4.474 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.944 -1.276 3.307 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.167 -2.059 4.142 1.00 0.00 C ATOM 0 H LEU A 35 -0.003 -5.207 5.894 1.00 0.00 H new ATOM 0 HA LEU A 35 1.027 -2.997 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.136 -3.906 3.968 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.688 -3.710 5.619 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.601 -1.240 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.395 -0.315 3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.100 -1.127 3.581 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.001 -1.936 2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.587 -1.087 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.280 -2.739 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.694 -2.464 5.006 1.00 0.00 H new ATOM 532 N VAL A 36 1.200 -1.043 5.987 1.00 0.00 N ATOM 533 CA VAL A 36 1.432 0.072 6.896 1.00 0.00 C ATOM 534 C VAL A 36 0.989 1.391 6.273 1.00 0.00 C ATOM 535 O VAL A 36 0.402 1.412 5.191 1.00 0.00 O ATOM 536 CB VAL A 36 2.917 0.176 7.289 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.681 1.014 6.275 1.00 0.00 C ATOM 538 CG2 VAL A 36 3.059 0.758 8.688 1.00 0.00 C ATOM 0 H VAL A 36 1.575 -0.906 5.048 1.00 0.00 H new ATOM 0 HA VAL A 36 0.840 -0.121 7.790 1.00 0.00 H new ATOM 0 HB VAL A 36 3.344 -0.827 7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.729 1.076 6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.608 0.551 5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.255 2.017 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.115 0.824 8.949 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.616 1.753 8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.548 0.114 9.404 1.00 0.00 H new ATOM 548 N ASP A 37 1.273 2.490 6.963 1.00 0.00 N ATOM 549 CA ASP A 37 0.906 3.815 6.477 1.00 0.00 C ATOM 550 C ASP A 37 1.341 4.002 5.027 1.00 0.00 C ATOM 551 O ASP A 37 2.533 3.997 4.721 1.00 0.00 O ATOM 552 CB ASP A 37 1.536 4.897 7.355 1.00 0.00 C ATOM 553 CG ASP A 37 0.649 5.286 8.521 1.00 0.00 C ATOM 554 OD1 ASP A 37 0.045 4.381 9.135 1.00 0.00 O ATOM 555 OD2 ASP A 37 0.559 6.495 8.820 1.00 0.00 O ATOM 0 H ASP A 37 1.756 2.490 7.861 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.179 3.905 6.526 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.494 4.541 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.741 5.779 6.748 1.00 0.00 H new ATOM 560 N ARG A 38 0.366 4.164 4.138 1.00 0.00 N ATOM 561 CA ARG A 38 0.649 4.350 2.720 1.00 0.00 C ATOM 562 C ARG A 38 1.927 3.619 2.320 1.00 0.00 C ATOM 563 O ARG A 38 2.759 4.157 1.589 1.00 0.00 O ATOM 564 CB ARG A 38 0.777 5.839 2.394 1.00 0.00 C ATOM 565 CG ARG A 38 -0.549 6.582 2.405 1.00 0.00 C ATOM 566 CD ARG A 38 -0.422 7.957 1.768 1.00 0.00 C ATOM 567 NE ARG A 38 -0.044 8.978 2.741 1.00 0.00 N ATOM 568 CZ ARG A 38 1.208 9.200 3.125 1.00 0.00 C ATOM 569 NH1 ARG A 38 2.198 8.477 2.619 1.00 0.00 N ATOM 570 NH2 ARG A 38 1.473 10.148 4.015 1.00 0.00 N ATOM 0 H ARG A 38 -0.626 4.170 4.375 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.182 3.931 2.152 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.450 6.303 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.237 5.949 1.412 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.298 5.999 1.869 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.900 6.686 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.323 7.921 0.973 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.370 8.231 1.305 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.782 9.552 3.148 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.999 7.749 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.159 8.649 2.915 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.715 10.707 4.405 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.435 10.317 4.309 1.00 0.00 H new ATOM 584 N CYS A 39 2.076 2.391 2.804 1.00 0.00 N ATOM 585 CA CYS A 39 3.253 1.586 2.498 1.00 0.00 C ATOM 586 C CYS A 39 3.032 0.129 2.891 1.00 0.00 C ATOM 587 O CYS A 39 2.043 -0.207 3.544 1.00 0.00 O ATOM 588 CB CYS A 39 4.479 2.142 3.223 1.00 0.00 C ATOM 589 SG CYS A 39 6.031 1.929 2.319 1.00 0.00 S ATOM 0 H CYS A 39 1.396 1.931 3.410 1.00 0.00 H new ATOM 0 HA CYS A 39 3.424 1.631 1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 39 4.325 3.204 3.413 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.566 1.654 4.194 1.00 0.00 H new ATOM 0 HG CYS A 39 5.838 1.139 1.305 1.00 0.00 H new ATOM 595 N LEU A 40 3.959 -0.734 2.489 1.00 0.00 N ATOM 596 CA LEU A 40 3.866 -2.157 2.797 1.00 0.00 C ATOM 597 C LEU A 40 5.246 -2.748 3.063 1.00 0.00 C ATOM 598 O LEU A 40 6.142 -2.663 2.222 1.00 0.00 O ATOM 599 CB LEU A 40 3.190 -2.905 1.647 1.00 0.00 C ATOM 600 CG LEU A 40 3.304 -4.430 1.680 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.838 -4.971 3.022 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.500 -5.049 0.545 1.00 0.00 C ATOM 0 H LEU A 40 4.784 -0.473 1.949 1.00 0.00 H new ATOM 0 HA LEU A 40 3.264 -2.270 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.133 -2.640 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.615 -2.549 0.709 1.00 0.00 H new ATOM 0 HG LEU A 40 4.352 -4.700 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.926 -6.057 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.456 -4.553 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.797 -4.691 3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.592 -6.134 0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.451 -4.770 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.880 -4.686 -0.410 1.00 0.00 H new ATOM 614 N PHE A 41 5.411 -3.349 4.236 1.00 0.00 N ATOM 615 CA PHE A 41 6.682 -3.957 4.612 1.00 0.00 C ATOM 616 C PHE A 41 6.566 -5.477 4.657 1.00 0.00 C ATOM 617 O PHE A 41 5.501 -6.021 4.950 1.00 0.00 O ATOM 618 CB PHE A 41 7.141 -3.428 5.973 1.00 0.00 C ATOM 619 CG PHE A 41 7.570 -1.989 5.944 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.833 -1.638 5.495 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.710 -0.988 6.364 1.00 0.00 C ATOM 622 CE1 PHE A 41 9.230 -0.314 5.468 1.00 0.00 C ATOM 623 CE2 PHE A 41 7.102 0.338 6.339 1.00 0.00 C ATOM 624 CZ PHE A 41 8.363 0.675 5.889 1.00 0.00 C ATOM 0 H PHE A 41 4.680 -3.428 4.943 1.00 0.00 H new ATOM 0 HA PHE A 41 7.422 -3.690 3.857 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.329 -3.542 6.691 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.970 -4.039 6.330 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.515 -2.407 5.163 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.722 -1.246 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.218 -0.053 5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.423 1.109 6.671 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.671 1.710 5.866 1.00 0.00 H new ATOM 634 N TYR A 42 7.669 -6.157 4.365 1.00 0.00 N ATOM 635 CA TYR A 42 7.692 -7.615 4.369 1.00 0.00 C ATOM 636 C TYR A 42 8.903 -8.139 5.135 1.00 0.00 C ATOM 637 O TYR A 42 10.002 -7.594 5.029 1.00 0.00 O ATOM 638 CB TYR A 42 7.710 -8.150 2.936 1.00 0.00 C ATOM 639 CG TYR A 42 9.044 -7.981 2.244 1.00 0.00 C ATOM 640 CD1 TYR A 42 10.113 -8.817 2.539 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.233 -6.986 1.292 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.334 -8.665 1.910 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.450 -6.828 0.657 1.00 0.00 C ATOM 644 CZ TYR A 42 11.497 -7.670 0.969 1.00 0.00 C ATOM 645 OH TYR A 42 12.710 -7.517 0.339 1.00 0.00 O ATOM 0 H TYR A 42 8.559 -5.722 4.122 1.00 0.00 H new ATOM 0 HA TYR A 42 6.789 -7.966 4.869 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.448 -9.208 2.949 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.942 -7.638 2.356 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.988 -9.600 3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.415 -6.325 1.045 1.00 0.00 H new ATOM 0 HE1 TYR A 42 12.156 -9.322 2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.581 -6.049 -0.080 1.00 0.00 H new ATOM 0 HH TYR A 42 13.403 -7.329 1.006 1.00 0.00 H new ATOM 655 N TYR A 43 8.694 -9.202 5.904 1.00 0.00 N ATOM 656 CA TYR A 43 9.767 -9.800 6.690 1.00 0.00 C ATOM 657 C TYR A 43 9.848 -11.303 6.444 1.00 0.00 C ATOM 658 O TYR A 43 8.915 -11.911 5.919 1.00 0.00 O ATOM 659 CB TYR A 43 9.551 -9.526 8.179 1.00 0.00 C ATOM 660 CG TYR A 43 9.009 -8.144 8.468 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.734 -7.776 8.056 1.00 0.00 C ATOM 662 CD2 TYR A 43 9.772 -7.207 9.155 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.235 -6.515 8.318 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.281 -5.944 9.422 1.00 0.00 C ATOM 665 CZ TYR A 43 8.012 -5.602 9.001 1.00 0.00 C ATOM 666 OH TYR A 43 7.519 -4.345 9.265 1.00 0.00 O ATOM 0 H TYR A 43 7.791 -9.667 6.000 1.00 0.00 H new ATOM 0 HA TYR A 43 10.708 -9.347 6.378 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.862 -10.269 8.580 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.498 -9.653 8.704 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.123 -8.488 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.766 -7.471 9.486 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.242 -6.245 7.990 1.00 0.00 H new ATOM 0 HE2 TYR A 43 9.887 -5.228 9.957 1.00 0.00 H new ATOM 0 HH TYR A 43 8.191 -3.826 9.754 1.00 0.00 H new ATOM 676 N LYS A 44 10.972 -11.899 6.829 1.00 0.00 N ATOM 677 CA LYS A 44 11.178 -13.331 6.654 1.00 0.00 C ATOM 678 C LYS A 44 9.964 -14.119 7.136 1.00 0.00 C ATOM 679 O LYS A 44 9.521 -15.059 6.476 1.00 0.00 O ATOM 680 CB LYS A 44 12.427 -13.785 7.413 1.00 0.00 C ATOM 681 CG LYS A 44 13.726 -13.466 6.693 1.00 0.00 C ATOM 682 CD LYS A 44 14.191 -14.633 5.839 1.00 0.00 C ATOM 683 CE LYS A 44 13.735 -14.484 4.395 1.00 0.00 C ATOM 684 NZ LYS A 44 14.745 -13.768 3.567 1.00 0.00 N ATOM 0 H LYS A 44 11.755 -11.411 7.265 1.00 0.00 H new ATOM 0 HA LYS A 44 11.316 -13.524 5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.439 -13.309 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.369 -14.860 7.581 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.588 -12.586 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.497 -13.219 7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.278 -14.700 5.873 1.00 0.00 H new ATOM 0 HD3 LYS A 44 13.801 -15.564 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 44 13.549 -15.470 3.969 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.790 -13.941 4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.398 -13.686 2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.904 -12.818 3.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.639 -14.299 3.574 1.00 0.00 H new ATOM 698 N ASP A 45 9.430 -13.728 8.287 1.00 0.00 N ATOM 699 CA ASP A 45 8.265 -14.395 8.856 1.00 0.00 C ATOM 700 C ASP A 45 7.470 -13.441 9.742 1.00 0.00 C ATOM 701 O ASP A 45 7.795 -12.259 9.844 1.00 0.00 O ATOM 702 CB ASP A 45 8.696 -15.621 9.663 1.00 0.00 C ATOM 703 CG ASP A 45 9.613 -16.538 8.878 1.00 0.00 C ATOM 704 OD1 ASP A 45 9.108 -17.277 8.006 1.00 0.00 O ATOM 705 OD2 ASP A 45 10.834 -16.517 9.134 1.00 0.00 O ATOM 0 H ASP A 45 9.785 -12.952 8.845 1.00 0.00 H new ATOM 0 HA ASP A 45 7.625 -14.717 8.035 1.00 0.00 H new ATOM 0 HB2 ASP A 45 9.204 -15.295 10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.811 -16.177 9.975 1.00 0.00 H new ATOM 710 N GLU A 46 6.427 -13.963 10.379 1.00 0.00 N ATOM 711 CA GLU A 46 5.585 -13.156 11.254 1.00 0.00 C ATOM 712 C GLU A 46 6.431 -12.387 12.265 1.00 0.00 C ATOM 713 O GLU A 46 6.093 -11.268 12.652 1.00 0.00 O ATOM 714 CB GLU A 46 4.576 -14.043 11.987 1.00 0.00 C ATOM 715 CG GLU A 46 5.206 -15.243 12.675 1.00 0.00 C ATOM 716 CD GLU A 46 4.175 -16.187 13.260 1.00 0.00 C ATOM 717 OE1 GLU A 46 3.714 -15.933 14.393 1.00 0.00 O ATOM 718 OE2 GLU A 46 3.829 -17.180 12.587 1.00 0.00 O ATOM 0 H GLU A 46 6.145 -14.940 10.306 1.00 0.00 H new ATOM 0 HA GLU A 46 5.046 -12.438 10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.051 -13.443 12.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.829 -14.394 11.275 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.824 -15.785 11.959 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.867 -14.896 13.469 1.00 0.00 H new ATOM 725 N LYS A 47 7.533 -12.995 12.690 1.00 0.00 N ATOM 726 CA LYS A 47 8.430 -12.370 13.655 1.00 0.00 C ATOM 727 C LYS A 47 8.650 -10.898 13.318 1.00 0.00 C ATOM 728 O LYS A 47 8.724 -10.054 14.210 1.00 0.00 O ATOM 729 CB LYS A 47 9.773 -13.103 13.684 1.00 0.00 C ATOM 730 CG LYS A 47 9.663 -14.555 14.117 1.00 0.00 C ATOM 731 CD LYS A 47 9.629 -14.685 15.631 1.00 0.00 C ATOM 732 CE LYS A 47 11.031 -14.683 16.222 1.00 0.00 C ATOM 733 NZ LYS A 47 11.719 -15.988 16.019 1.00 0.00 N ATOM 0 H LYS A 47 7.827 -13.922 12.381 1.00 0.00 H new ATOM 0 HA LYS A 47 7.966 -12.435 14.639 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.222 -13.061 12.692 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.448 -12.580 14.362 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.760 -14.995 13.693 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.508 -15.119 13.721 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.053 -13.863 16.055 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.118 -15.607 15.907 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.618 -13.888 15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.976 -14.463 17.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.605 -16.002 16.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.102 -16.760 16.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.931 -16.115 15.009 1.00 0.00 H new ATOM 747 N GLU A 48 8.751 -10.600 12.027 1.00 0.00 N ATOM 748 CA GLU A 48 8.962 -9.229 11.575 1.00 0.00 C ATOM 749 C GLU A 48 9.967 -8.510 12.469 1.00 0.00 C ATOM 750 O GLU A 48 9.859 -7.305 12.697 1.00 0.00 O ATOM 751 CB GLU A 48 7.637 -8.465 11.560 1.00 0.00 C ATOM 752 CG GLU A 48 7.073 -8.195 12.945 1.00 0.00 C ATOM 753 CD GLU A 48 5.842 -7.311 12.912 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.843 -6.322 12.149 1.00 0.00 O ATOM 755 OE2 GLU A 48 4.878 -7.607 13.649 1.00 0.00 O ATOM 0 H GLU A 48 8.690 -11.288 11.276 1.00 0.00 H new ATOM 0 HA GLU A 48 9.364 -9.265 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.781 -7.516 11.044 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.906 -9.033 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.822 -9.142 13.422 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.839 -7.722 13.559 1.00 0.00 H new ATOM 762 N GLU A 49 10.943 -9.258 12.974 1.00 0.00 N ATOM 763 CA GLU A 49 11.967 -8.691 13.844 1.00 0.00 C ATOM 764 C GLU A 49 12.830 -7.686 13.087 1.00 0.00 C ATOM 765 O GLU A 49 13.194 -6.638 13.620 1.00 0.00 O ATOM 766 CB GLU A 49 12.846 -9.801 14.424 1.00 0.00 C ATOM 767 CG GLU A 49 12.172 -10.597 15.529 1.00 0.00 C ATOM 768 CD GLU A 49 12.096 -9.832 16.836 1.00 0.00 C ATOM 769 OE1 GLU A 49 13.116 -9.788 17.556 1.00 0.00 O ATOM 770 OE2 GLU A 49 11.019 -9.279 17.139 1.00 0.00 O ATOM 0 H GLU A 49 11.046 -10.257 12.796 1.00 0.00 H new ATOM 0 HA GLU A 49 11.466 -8.170 14.660 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.134 -10.481 13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.764 -9.360 14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.165 -10.870 15.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.719 -11.526 15.688 1.00 0.00 H new ATOM 777 N SER A 50 13.155 -8.015 11.841 1.00 0.00 N ATOM 778 CA SER A 50 13.979 -7.144 11.011 1.00 0.00 C ATOM 779 C SER A 50 13.382 -7.000 9.614 1.00 0.00 C ATOM 780 O SER A 50 12.885 -7.967 9.037 1.00 0.00 O ATOM 781 CB SER A 50 15.403 -7.696 10.914 1.00 0.00 C ATOM 782 OG SER A 50 16.203 -6.894 10.063 1.00 0.00 O ATOM 0 H SER A 50 12.860 -8.878 11.384 1.00 0.00 H new ATOM 0 HA SER A 50 14.008 -6.160 11.478 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.850 -7.736 11.907 1.00 0.00 H new ATOM 0 HB3 SER A 50 15.375 -8.718 10.536 1.00 0.00 H new ATOM 0 HG SER A 50 17.108 -7.266 10.019 1.00 0.00 H new ATOM 788 N ILE A 51 13.434 -5.785 9.078 1.00 0.00 N ATOM 789 CA ILE A 51 12.899 -5.514 7.750 1.00 0.00 C ATOM 790 C ILE A 51 13.943 -5.782 6.671 1.00 0.00 C ATOM 791 O ILE A 51 15.105 -5.396 6.807 1.00 0.00 O ATOM 792 CB ILE A 51 12.412 -4.058 7.626 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.338 -3.765 8.675 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.878 -3.795 6.226 1.00 0.00 C ATOM 795 CD1 ILE A 51 11.162 -2.291 8.965 1.00 0.00 C ATOM 0 H ILE A 51 13.841 -4.973 9.543 1.00 0.00 H new ATOM 0 HA ILE A 51 12.052 -6.186 7.608 1.00 0.00 H new ATOM 0 HB ILE A 51 13.257 -3.392 7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.388 -4.176 8.335 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.595 -4.281 9.600 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.538 -2.762 6.154 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.669 -3.968 5.496 1.00 0.00 H new ATOM 0 HG23 ILE A 51 11.044 -4.467 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.385 -2.159 9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.100 -1.879 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.874 -1.772 8.051 1.00 0.00 H new ATOM 807 N LEU A 52 13.522 -6.445 5.600 1.00 0.00 N ATOM 808 CA LEU A 52 14.420 -6.764 4.496 1.00 0.00 C ATOM 809 C LEU A 52 14.180 -5.832 3.312 1.00 0.00 C ATOM 810 O LEU A 52 15.122 -5.294 2.732 1.00 0.00 O ATOM 811 CB LEU A 52 14.228 -8.218 4.061 1.00 0.00 C ATOM 812 CG LEU A 52 14.367 -9.271 5.161 1.00 0.00 C ATOM 813 CD1 LEU A 52 13.489 -10.476 4.860 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.821 -9.694 5.314 1.00 0.00 C ATOM 0 H LEU A 52 12.564 -6.772 5.473 1.00 0.00 H new ATOM 0 HA LEU A 52 15.444 -6.626 4.842 1.00 0.00 H new ATOM 0 HB2 LEU A 52 13.238 -8.315 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.953 -8.441 3.278 1.00 0.00 H new ATOM 0 HG LEU A 52 14.036 -8.831 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.601 -11.215 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.447 -10.161 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.789 -10.916 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.901 -10.444 6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 52 16.178 -10.115 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 52 16.427 -8.827 5.576 1.00 0.00 H new ATOM 826 N GLY A 53 12.912 -5.644 2.960 1.00 0.00 N ATOM 827 CA GLY A 53 12.571 -4.774 1.849 1.00 0.00 C ATOM 828 C GLY A 53 11.201 -4.145 2.005 1.00 0.00 C ATOM 829 O GLY A 53 10.288 -4.757 2.558 1.00 0.00 O ATOM 0 H GLY A 53 12.114 -6.079 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.321 -3.988 1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.602 -5.345 0.921 1.00 0.00 H new ATOM 833 N SER A 54 11.058 -2.916 1.518 1.00 0.00 N ATOM 834 CA SER A 54 9.790 -2.201 1.610 1.00 0.00 C ATOM 835 C SER A 54 9.198 -1.963 0.224 1.00 0.00 C ATOM 836 O SER A 54 9.907 -2.010 -0.782 1.00 0.00 O ATOM 837 CB SER A 54 9.986 -0.865 2.329 1.00 0.00 C ATOM 838 OG SER A 54 8.874 -0.010 2.129 1.00 0.00 O ATOM 0 H SER A 54 11.804 -2.395 1.056 1.00 0.00 H new ATOM 0 HA SER A 54 9.095 -2.816 2.182 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.127 -1.040 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.891 -0.381 1.963 1.00 0.00 H new ATOM 0 HG SER A 54 8.509 0.260 2.997 1.00 0.00 H new ATOM 844 N ILE A 55 7.895 -1.708 0.180 1.00 0.00 N ATOM 845 CA ILE A 55 7.207 -1.462 -1.081 1.00 0.00 C ATOM 846 C ILE A 55 6.327 -0.220 -0.994 1.00 0.00 C ATOM 847 O ILE A 55 5.385 -0.150 -0.205 1.00 0.00 O ATOM 848 CB ILE A 55 6.338 -2.665 -1.492 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.190 -3.933 -1.575 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.653 -2.393 -2.823 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.393 -5.208 -1.412 1.00 0.00 C ATOM 0 H ILE A 55 7.294 -1.666 1.003 1.00 0.00 H new ATOM 0 HA ILE A 55 7.978 -1.306 -1.836 1.00 0.00 H new ATOM 0 HB ILE A 55 5.570 -2.815 -0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.702 -3.955 -2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.960 -3.895 -0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.042 -3.252 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.019 -1.511 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.407 -2.220 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.061 -6.066 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.902 -5.208 -0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.640 -5.269 -2.198 1.00 0.00 H new ATOM 863 N PRO A 56 6.639 0.786 -1.826 1.00 0.00 N ATOM 864 CA PRO A 56 5.888 2.044 -1.864 1.00 0.00 C ATOM 865 C PRO A 56 4.489 1.866 -2.445 1.00 0.00 C ATOM 866 O PRO A 56 4.332 1.478 -3.604 1.00 0.00 O ATOM 867 CB PRO A 56 6.736 2.936 -2.773 1.00 0.00 C ATOM 868 CG PRO A 56 7.490 1.987 -3.639 1.00 0.00 C ATOM 869 CD PRO A 56 7.749 0.771 -2.793 1.00 0.00 C ATOM 0 HA PRO A 56 5.731 2.456 -0.867 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.112 3.603 -3.367 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.412 3.564 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.915 1.729 -4.528 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.425 2.430 -3.982 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.750 -0.141 -3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.717 0.827 -2.295 1.00 0.00 H new ATOM 877 N LEU A 57 3.476 2.153 -1.636 1.00 0.00 N ATOM 878 CA LEU A 57 2.090 2.025 -2.070 1.00 0.00 C ATOM 879 C LEU A 57 1.447 3.397 -2.251 1.00 0.00 C ATOM 880 O LEU A 57 0.386 3.676 -1.691 1.00 0.00 O ATOM 881 CB LEU A 57 1.290 1.204 -1.057 1.00 0.00 C ATOM 882 CG LEU A 57 1.412 -0.315 -1.178 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.595 -1.004 -0.096 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.969 -0.777 -2.559 1.00 0.00 C ATOM 0 H LEU A 57 3.589 2.476 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 57 2.083 1.511 -3.031 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.604 1.495 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.238 1.473 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 57 2.459 -0.588 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.694 -2.085 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.958 -0.697 0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.454 -0.724 -0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.062 -1.861 -2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.070 -0.491 -2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.597 -0.310 -3.318 1.00 0.00 H new ATOM 896 N LEU A 58 2.095 4.248 -3.038 1.00 0.00 N ATOM 897 CA LEU A 58 1.586 5.591 -3.295 1.00 0.00 C ATOM 898 C LEU A 58 0.903 5.663 -4.657 1.00 0.00 C ATOM 899 O LEU A 58 1.557 5.570 -5.696 1.00 0.00 O ATOM 900 CB LEU A 58 2.724 6.611 -3.229 1.00 0.00 C ATOM 901 CG LEU A 58 2.311 8.082 -3.271 1.00 0.00 C ATOM 902 CD1 LEU A 58 1.262 8.372 -2.209 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.523 8.983 -3.085 1.00 0.00 C ATOM 0 H LEU A 58 2.974 4.033 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 58 0.850 5.827 -2.526 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.287 6.439 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.403 6.421 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 58 1.876 8.289 -4.249 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.980 9.424 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.383 7.753 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.670 8.147 -1.224 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.209 10.026 -3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.987 8.774 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.242 8.795 -3.883 1.00 0.00 H new ATOM 915 N SER A 59 -0.416 5.830 -4.644 1.00 0.00 N ATOM 916 CA SER A 59 -1.188 5.913 -5.878 1.00 0.00 C ATOM 917 C SER A 59 -1.051 4.630 -6.692 1.00 0.00 C ATOM 918 O SER A 59 -1.190 4.639 -7.915 1.00 0.00 O ATOM 919 CB SER A 59 -0.729 7.111 -6.713 1.00 0.00 C ATOM 920 OG SER A 59 -1.780 7.595 -7.531 1.00 0.00 O ATOM 0 H SER A 59 -0.972 5.910 -3.793 1.00 0.00 H new ATOM 0 HA SER A 59 -2.237 6.045 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.382 7.906 -6.053 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.117 6.821 -7.336 1.00 0.00 H new ATOM 0 HG SER A 59 -1.462 8.361 -8.053 1.00 0.00 H new ATOM 926 N PHE A 60 -0.778 3.526 -6.003 1.00 0.00 N ATOM 927 CA PHE A 60 -0.622 2.234 -6.661 1.00 0.00 C ATOM 928 C PHE A 60 -1.977 1.659 -7.059 1.00 0.00 C ATOM 929 O PHE A 60 -3.009 2.029 -6.499 1.00 0.00 O ATOM 930 CB PHE A 60 0.110 1.256 -5.740 1.00 0.00 C ATOM 931 CG PHE A 60 1.604 1.284 -5.901 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.308 2.467 -5.746 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.303 0.127 -6.207 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.682 2.495 -5.894 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.677 0.150 -6.356 1.00 0.00 C ATOM 936 CZ PHE A 60 4.367 1.335 -6.198 1.00 0.00 C ATOM 0 H PHE A 60 -0.660 3.501 -4.990 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.032 2.383 -7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.140 1.488 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.250 0.246 -5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.778 3.377 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.768 -0.803 -6.330 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.220 3.424 -5.772 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.210 -0.758 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.441 1.355 -6.312 1.00 0.00 H new ATOM 946 N ARG A 61 -1.966 0.751 -8.030 1.00 0.00 N ATOM 947 CA ARG A 61 -3.194 0.125 -8.505 1.00 0.00 C ATOM 948 C ARG A 61 -3.243 -1.347 -8.106 1.00 0.00 C ATOM 949 O ARG A 61 -2.725 -2.210 -8.814 1.00 0.00 O ATOM 950 CB ARG A 61 -3.304 0.257 -10.025 1.00 0.00 C ATOM 951 CG ARG A 61 -4.669 -0.127 -10.573 1.00 0.00 C ATOM 952 CD ARG A 61 -4.788 0.201 -12.053 1.00 0.00 C ATOM 953 NE ARG A 61 -4.971 1.632 -12.283 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.288 2.151 -13.464 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.458 1.361 -14.515 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.438 3.463 -13.594 1.00 0.00 N ATOM 0 H ARG A 61 -1.120 0.433 -8.503 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.037 0.638 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.085 1.286 -10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.545 -0.371 -10.492 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.836 -1.193 -10.421 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.446 0.400 -10.019 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.892 -0.138 -12.573 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.630 -0.345 -12.479 1.00 0.00 H new ATOM 0 HE ARG A 61 -4.849 2.267 -11.494 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.345 0.352 -14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.701 1.762 -15.421 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.310 4.073 -12.787 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.681 3.861 -14.501 1.00 0.00 H new ATOM 970 N VAL A 62 -3.870 -1.626 -6.968 1.00 0.00 N ATOM 971 CA VAL A 62 -3.988 -2.993 -6.475 1.00 0.00 C ATOM 972 C VAL A 62 -5.333 -3.600 -6.856 1.00 0.00 C ATOM 973 O VAL A 62 -6.387 -3.054 -6.530 1.00 0.00 O ATOM 974 CB VAL A 62 -3.824 -3.054 -4.945 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.649 -4.493 -4.484 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.648 -2.197 -4.501 1.00 0.00 C ATOM 0 H VAL A 62 -4.304 -0.923 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.188 -3.568 -6.941 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.728 -2.657 -4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.535 -4.517 -3.400 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.525 -5.075 -4.769 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.762 -4.920 -4.952 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.547 -2.252 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.734 -2.562 -4.970 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.819 -1.162 -4.798 1.00 0.00 H new ATOM 986 N ALA A 63 -5.290 -4.735 -7.547 1.00 0.00 N ATOM 987 CA ALA A 63 -6.506 -5.418 -7.970 1.00 0.00 C ATOM 988 C ALA A 63 -6.197 -6.822 -8.480 1.00 0.00 C ATOM 989 O ALA A 63 -5.145 -7.060 -9.072 1.00 0.00 O ATOM 990 CB ALA A 63 -7.220 -4.610 -9.043 1.00 0.00 C ATOM 0 H ALA A 63 -4.426 -5.200 -7.825 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.162 -5.510 -7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.126 -5.132 -9.349 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.483 -3.630 -8.646 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.563 -4.488 -9.904 1.00 0.00 H new ATOM 996 N ALA A 64 -7.122 -7.748 -8.247 1.00 0.00 N ATOM 997 CA ALA A 64 -6.948 -9.127 -8.684 1.00 0.00 C ATOM 998 C ALA A 64 -6.235 -9.191 -10.030 1.00 0.00 C ATOM 999 O ALA A 64 -6.500 -8.386 -10.923 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.296 -9.829 -8.765 1.00 0.00 C ATOM 0 H ALA A 64 -7.999 -7.568 -7.758 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.327 -9.639 -7.949 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.151 -10.858 -9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.768 -9.824 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.935 -9.308 -9.478 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.328 -10.153 -10.169 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.576 -10.322 -11.407 1.00 0.00 C ATOM 1008 C VAL A 65 -5.507 -10.369 -12.613 1.00 0.00 C ATOM 1009 O VAL A 65 -6.727 -10.282 -12.472 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.727 -11.606 -11.378 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.498 -11.414 -10.502 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.560 -12.783 -10.892 1.00 0.00 C ATOM 0 H VAL A 65 -5.096 -10.827 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.914 -9.460 -11.495 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.390 -11.822 -12.392 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.910 -12.332 -10.494 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.892 -10.599 -10.898 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.810 -11.173 -9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.945 -13.683 -10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.927 -12.578 -9.886 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.405 -12.932 -11.564 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.924 -10.507 -13.799 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.702 -10.565 -15.031 1.00 0.00 C ATOM 1024 C GLN A 66 -5.642 -11.959 -15.647 1.00 0.00 C ATOM 1025 O GLN A 66 -4.769 -12.768 -15.331 1.00 0.00 O ATOM 1026 CB GLN A 66 -5.189 -9.530 -16.033 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.892 -8.186 -15.933 1.00 0.00 C ATOM 1028 CD GLN A 66 -7.081 -8.078 -16.868 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -6.923 -7.843 -18.066 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -8.280 -8.250 -16.324 1.00 0.00 N ATOM 0 H GLN A 66 -3.916 -10.581 -13.933 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.740 -10.339 -14.786 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.120 -9.384 -15.877 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.313 -9.921 -17.043 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.226 -8.030 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.182 -7.391 -16.161 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -8.364 -8.443 -15.326 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -9.117 -8.189 -16.904 1.00 0.00 H new ATOM 1039 N PRO A 67 -6.592 -12.250 -16.548 1.00 0.00 N ATOM 1040 CA PRO A 67 -6.669 -13.546 -17.228 1.00 0.00 C ATOM 1041 C PRO A 67 -5.529 -13.750 -18.219 1.00 0.00 C ATOM 1042 O PRO A 67 -5.200 -14.880 -18.578 1.00 0.00 O ATOM 1043 CB PRO A 67 -8.011 -13.483 -17.962 1.00 0.00 C ATOM 1044 CG PRO A 67 -8.264 -12.029 -18.165 1.00 0.00 C ATOM 1045 CD PRO A 67 -7.665 -11.334 -16.974 1.00 0.00 C ATOM 0 HA PRO A 67 -6.589 -14.378 -16.528 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.967 -14.014 -18.913 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -8.805 -13.945 -17.375 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -7.808 -11.679 -19.091 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -9.332 -11.825 -18.239 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -7.274 -10.351 -17.237 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.401 -11.183 -16.185 1.00 0.00 H new ATOM 1053 N SER A 68 -4.929 -12.648 -18.658 1.00 0.00 N ATOM 1054 CA SER A 68 -3.827 -12.706 -19.612 1.00 0.00 C ATOM 1055 C SER A 68 -2.543 -13.169 -18.930 1.00 0.00 C ATOM 1056 O SER A 68 -1.674 -13.771 -19.562 1.00 0.00 O ATOM 1057 CB SER A 68 -3.610 -11.335 -20.256 1.00 0.00 C ATOM 1058 OG SER A 68 -3.106 -10.403 -19.315 1.00 0.00 O ATOM 0 H SER A 68 -5.187 -11.705 -18.369 1.00 0.00 H new ATOM 0 HA SER A 68 -4.087 -13.427 -20.387 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.914 -11.427 -21.090 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.551 -10.969 -20.666 1.00 0.00 H new ATOM 0 HG SER A 68 -2.974 -9.536 -19.752 1.00 0.00 H new ATOM 1144 N LYS A 74 -3.695 -19.291 -7.421 1.00 0.00 N ATOM 1145 CA LYS A 74 -5.025 -18.695 -7.401 1.00 0.00 C ATOM 1146 C LYS A 74 -5.082 -17.522 -6.428 1.00 0.00 C ATOM 1147 O LYS A 74 -4.074 -17.158 -5.820 1.00 0.00 O ATOM 1148 CB LYS A 74 -6.071 -19.743 -7.014 1.00 0.00 C ATOM 1149 CG LYS A 74 -6.438 -20.683 -8.149 1.00 0.00 C ATOM 1150 CD LYS A 74 -7.828 -21.267 -7.961 1.00 0.00 C ATOM 1151 CE LYS A 74 -8.492 -21.569 -9.296 1.00 0.00 C ATOM 1152 NZ LYS A 74 -7.756 -22.617 -10.056 1.00 0.00 N ATOM 0 HA LYS A 74 -5.244 -18.324 -8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.694 -20.329 -6.176 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.971 -19.235 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.393 -20.146 -9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.708 -21.490 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.763 -22.181 -7.371 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.445 -20.567 -7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.518 -21.896 -9.126 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.543 -20.657 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.249 -22.807 -10.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.790 -22.287 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.714 -23.490 -9.492 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.265 -16.935 -6.284 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.453 -15.804 -5.382 1.00 0.00 C ATOM 1168 C HIS A 75 -5.208 -14.922 -5.350 1.00 0.00 C ATOM 1169 O HIS A 75 -4.667 -14.631 -4.283 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.779 -16.298 -3.972 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.543 -17.585 -3.949 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -8.699 -17.786 -4.674 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.311 -18.742 -3.286 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.145 -19.011 -4.456 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.321 -19.611 -3.617 1.00 0.00 N ATOM 0 H HIS A 75 -7.108 -17.223 -6.780 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.288 -15.210 -5.753 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.850 -16.427 -3.417 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.356 -15.533 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.485 -18.944 -2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.033 -19.447 -4.890 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.419 -20.565 -3.271 1.00 0.00 H new ATOM 1184 N THR A 76 -4.758 -14.499 -6.527 1.00 0.00 N ATOM 1185 CA THR A 76 -3.576 -13.653 -6.634 1.00 0.00 C ATOM 1186 C THR A 76 -3.930 -12.286 -7.210 1.00 0.00 C ATOM 1187 O THR A 76 -4.715 -12.183 -8.153 1.00 0.00 O ATOM 1188 CB THR A 76 -2.496 -14.305 -7.517 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.137 -15.586 -6.986 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.261 -13.422 -7.603 1.00 0.00 C ATOM 0 H THR A 76 -5.194 -14.729 -7.420 1.00 0.00 H new ATOM 0 HA THR A 76 -3.183 -13.529 -5.625 1.00 0.00 H new ATOM 0 HB THR A 76 -2.904 -14.429 -8.520 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.944 -16.051 -6.680 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.512 -13.904 -8.232 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.532 -12.458 -8.035 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.852 -13.270 -6.604 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.345 -11.239 -6.638 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.599 -9.878 -7.094 1.00 0.00 C ATOM 1200 C PHE A 77 -2.303 -9.202 -7.535 1.00 0.00 C ATOM 1201 O PHE A 77 -1.209 -9.631 -7.169 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.262 -9.060 -5.984 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.510 -9.094 -4.684 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.601 -10.192 -3.844 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.712 -8.027 -4.302 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -2.911 -10.226 -2.647 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.019 -8.056 -3.107 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.119 -9.156 -2.278 1.00 0.00 C ATOM 0 H PHE A 77 -2.692 -11.307 -5.858 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.272 -9.928 -7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.356 -8.025 -6.313 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.272 -9.436 -5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.218 -11.031 -4.128 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.631 -7.163 -4.946 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.991 -11.088 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.399 -7.219 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.579 -9.180 -1.343 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.436 -8.141 -8.324 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.278 -7.403 -8.816 1.00 0.00 C ATOM 1220 C LYS A 78 -1.317 -5.953 -8.344 1.00 0.00 C ATOM 1221 O LYS A 78 -2.380 -5.336 -8.291 1.00 0.00 O ATOM 1222 CB LYS A 78 -1.228 -7.453 -10.344 1.00 0.00 C ATOM 1223 CG LYS A 78 -2.453 -6.854 -11.013 1.00 0.00 C ATOM 1224 CD LYS A 78 -2.199 -6.560 -12.482 1.00 0.00 C ATOM 1225 CE LYS A 78 -3.279 -5.662 -13.066 1.00 0.00 C ATOM 1226 NZ LYS A 78 -2.846 -5.034 -14.345 1.00 0.00 N ATOM 0 H LYS A 78 -3.334 -7.773 -8.637 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.380 -7.873 -8.414 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.341 -6.922 -10.688 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.122 -8.490 -10.662 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.293 -7.542 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.735 -5.934 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.226 -6.082 -12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.161 -7.496 -13.040 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -4.184 -6.246 -13.236 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.532 -4.883 -12.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.609 -4.430 -14.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.997 -4.457 -14.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.629 -5.776 -15.040 1.00 0.00 H new ATOM 1240 N ALA A 79 -0.150 -5.415 -8.004 1.00 0.00 N ATOM 1241 CA ALA A 79 -0.051 -4.037 -7.541 1.00 0.00 C ATOM 1242 C ALA A 79 1.095 -3.306 -8.232 1.00 0.00 C ATOM 1243 O ALA A 79 2.266 -3.579 -7.968 1.00 0.00 O ATOM 1244 CB ALA A 79 0.132 -3.999 -6.031 1.00 0.00 C ATOM 0 H ALA A 79 0.740 -5.913 -8.041 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.980 -3.527 -7.797 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.204 -2.963 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.722 -4.476 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.044 -4.531 -5.762 1.00 0.00 H new ATOM 1250 N GLU A 80 0.749 -2.378 -9.119 1.00 0.00 N ATOM 1251 CA GLU A 80 1.751 -1.610 -9.850 1.00 0.00 C ATOM 1252 C GLU A 80 1.481 -0.113 -9.731 1.00 0.00 C ATOM 1253 O GLU A 80 0.351 0.308 -9.484 1.00 0.00 O ATOM 1254 CB GLU A 80 1.766 -2.021 -11.324 1.00 0.00 C ATOM 1255 CG GLU A 80 0.527 -1.589 -12.089 1.00 0.00 C ATOM 1256 CD GLU A 80 -0.665 -2.489 -11.827 1.00 0.00 C ATOM 1257 OE1 GLU A 80 -0.458 -3.701 -11.613 1.00 0.00 O ATOM 1258 OE2 GLU A 80 -1.805 -1.979 -11.835 1.00 0.00 O ATOM 0 H GLU A 80 -0.216 -2.140 -9.349 1.00 0.00 H new ATOM 0 HA GLU A 80 2.726 -1.822 -9.411 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.646 -1.592 -11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.864 -3.105 -11.389 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.272 -0.566 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.747 -1.585 -13.157 1.00 0.00 H new ATOM 1265 N HIS A 81 2.528 0.687 -9.910 1.00 0.00 N ATOM 1266 CA HIS A 81 2.405 2.138 -9.823 1.00 0.00 C ATOM 1267 C HIS A 81 2.079 2.738 -11.187 1.00 0.00 C ATOM 1268 O HIS A 81 2.152 3.952 -11.375 1.00 0.00 O ATOM 1269 CB HIS A 81 3.697 2.749 -9.279 1.00 0.00 C ATOM 1270 CG HIS A 81 3.506 4.097 -8.655 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.547 4.848 -8.152 1.00 0.00 N ATOM 1272 CD2 HIS A 81 2.385 4.830 -8.456 1.00 0.00 C ATOM 1273 CE1 HIS A 81 4.075 5.983 -7.669 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.765 5.997 -7.842 1.00 0.00 N ATOM 0 H HIS A 81 3.470 0.355 -10.116 1.00 0.00 H new ATOM 0 HA HIS A 81 1.588 2.368 -9.140 1.00 0.00 H new ATOM 0 HB2 HIS A 81 4.126 2.073 -8.539 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.420 2.833 -10.091 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.528 4.570 -8.153 1.00 0.00 H new ATOM 0 HD2 HIS A 81 1.379 4.549 -8.730 1.00 0.00 H new ATOM 0 HE1 HIS A 81 4.660 6.766 -7.211 1.00 0.00 H new ATOM 1316 N ARG A 85 6.803 -0.347 -11.524 1.00 0.00 N ATOM 1317 CA ARG A 85 6.949 -1.795 -11.436 1.00 0.00 C ATOM 1318 C ARG A 85 5.646 -2.447 -10.983 1.00 0.00 C ATOM 1319 O ARG A 85 4.818 -1.814 -10.326 1.00 0.00 O ATOM 1320 CB ARG A 85 8.077 -2.157 -10.469 1.00 0.00 C ATOM 1321 CG ARG A 85 8.436 -3.634 -10.477 1.00 0.00 C ATOM 1322 CD ARG A 85 9.785 -3.884 -9.821 1.00 0.00 C ATOM 1323 NE ARG A 85 10.888 -3.746 -10.768 1.00 0.00 N ATOM 1324 CZ ARG A 85 12.156 -3.596 -10.401 1.00 0.00 C ATOM 1325 NH1 ARG A 85 12.479 -3.564 -9.116 1.00 0.00 N ATOM 1326 NH2 ARG A 85 13.104 -3.477 -11.322 1.00 0.00 N ATOM 0 HA ARG A 85 7.196 -2.171 -12.429 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.963 -1.575 -10.723 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.785 -1.868 -9.459 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.665 -4.200 -9.953 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.457 -3.999 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.924 -3.182 -8.998 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.799 -4.886 -9.391 1.00 0.00 H new ATOM 0 HE ARG A 85 10.673 -3.766 -11.765 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.753 -3.655 -8.405 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.454 -3.449 -8.838 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.859 -3.501 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.077 -3.362 -11.040 1.00 0.00 H new ATOM 1340 N THR A 86 5.470 -3.716 -11.338 1.00 0.00 N ATOM 1341 CA THR A 86 4.268 -4.453 -10.969 1.00 0.00 C ATOM 1342 C THR A 86 4.586 -5.556 -9.966 1.00 0.00 C ATOM 1343 O THR A 86 5.521 -6.333 -10.159 1.00 0.00 O ATOM 1344 CB THR A 86 3.591 -5.077 -12.204 1.00 0.00 C ATOM 1345 OG1 THR A 86 3.352 -4.069 -13.193 1.00 0.00 O ATOM 1346 CG2 THR A 86 2.278 -5.742 -11.822 1.00 0.00 C ATOM 0 H THR A 86 6.145 -4.255 -11.881 1.00 0.00 H new ATOM 0 HA THR A 86 3.585 -3.737 -10.513 1.00 0.00 H new ATOM 0 HB THR A 86 4.258 -5.835 -12.613 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.923 -4.474 -13.976 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.818 -6.176 -12.710 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.467 -6.528 -11.091 1.00 0.00 H new ATOM 0 HG23 THR A 86 1.606 -5.000 -11.391 1.00 0.00 H new ATOM 1354 N TYR A 87 3.802 -5.620 -8.896 1.00 0.00 N ATOM 1355 CA TYR A 87 4.001 -6.627 -7.861 1.00 0.00 C ATOM 1356 C TYR A 87 2.919 -7.701 -7.930 1.00 0.00 C ATOM 1357 O TYR A 87 1.746 -7.402 -8.157 1.00 0.00 O ATOM 1358 CB TYR A 87 4.000 -5.975 -6.478 1.00 0.00 C ATOM 1359 CG TYR A 87 5.183 -5.064 -6.237 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.224 -3.788 -6.784 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.259 -5.480 -5.463 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.303 -2.952 -6.568 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.341 -4.651 -5.240 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.359 -3.388 -5.794 1.00 0.00 C ATOM 1365 OH TYR A 87 8.435 -2.560 -5.576 1.00 0.00 O ATOM 0 H TYR A 87 3.022 -4.986 -8.723 1.00 0.00 H new ATOM 0 HA TYR A 87 4.968 -7.100 -8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.081 -5.402 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.993 -6.756 -5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.398 -3.443 -7.389 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.249 -6.469 -5.028 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.320 -1.963 -7.002 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.169 -4.990 -4.635 1.00 0.00 H new ATOM 0 HH TYR A 87 9.091 -3.018 -5.010 1.00 0.00 H new ATOM 1375 N PHE A 88 3.322 -8.951 -7.733 1.00 0.00 N ATOM 1376 CA PHE A 88 2.388 -10.071 -7.773 1.00 0.00 C ATOM 1377 C PHE A 88 2.337 -10.785 -6.426 1.00 0.00 C ATOM 1378 O PHE A 88 3.344 -11.313 -5.952 1.00 0.00 O ATOM 1379 CB PHE A 88 2.789 -11.058 -8.872 1.00 0.00 C ATOM 1380 CG PHE A 88 2.393 -10.613 -10.251 1.00 0.00 C ATOM 1381 CD1 PHE A 88 3.247 -9.833 -11.013 1.00 0.00 C ATOM 1382 CD2 PHE A 88 1.167 -10.975 -10.785 1.00 0.00 C ATOM 1383 CE1 PHE A 88 2.885 -9.421 -12.282 1.00 0.00 C ATOM 1384 CE2 PHE A 88 0.799 -10.567 -12.053 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.660 -9.790 -12.803 1.00 0.00 C ATOM 0 H PHE A 88 4.289 -9.215 -7.544 1.00 0.00 H new ATOM 0 HA PHE A 88 1.396 -9.677 -7.993 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.869 -11.204 -8.842 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.331 -12.025 -8.665 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.207 -9.543 -10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.491 -11.584 -10.203 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.559 -8.811 -12.865 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -0.160 -10.855 -12.457 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.376 -9.471 -13.795 1.00 0.00 H new ATOM 1395 N PHE A 89 1.158 -10.798 -5.814 1.00 0.00 N ATOM 1396 CA PHE A 89 0.975 -11.446 -4.520 1.00 0.00 C ATOM 1397 C PHE A 89 -0.123 -12.503 -4.591 1.00 0.00 C ATOM 1398 O PHE A 89 -1.189 -12.268 -5.160 1.00 0.00 O ATOM 1399 CB PHE A 89 0.631 -10.407 -3.450 1.00 0.00 C ATOM 1400 CG PHE A 89 1.668 -9.331 -3.304 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.930 -9.628 -2.817 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.380 -8.021 -3.653 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.886 -8.639 -2.680 1.00 0.00 C ATOM 1404 CE2 PHE A 89 2.332 -7.028 -3.520 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.587 -7.338 -3.033 1.00 0.00 C ATOM 0 H PHE A 89 0.315 -10.367 -6.193 1.00 0.00 H new ATOM 0 HA PHE A 89 1.910 -11.937 -4.252 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.326 -9.947 -3.696 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.505 -10.912 -2.492 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.170 -10.644 -2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.400 -7.773 -4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.866 -8.884 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.095 -6.011 -3.796 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.333 -6.564 -2.929 1.00 0.00 H new ATOM 1415 N SER A 90 0.147 -13.668 -4.011 1.00 0.00 N ATOM 1416 CA SER A 90 -0.816 -14.763 -4.013 1.00 0.00 C ATOM 1417 C SER A 90 -1.338 -15.029 -2.604 1.00 0.00 C ATOM 1418 O SER A 90 -0.564 -15.130 -1.652 1.00 0.00 O ATOM 1419 CB SER A 90 -0.176 -16.032 -4.580 1.00 0.00 C ATOM 1420 OG SER A 90 -1.106 -17.101 -4.613 1.00 0.00 O ATOM 0 H SER A 90 1.024 -13.878 -3.534 1.00 0.00 H new ATOM 0 HA SER A 90 -1.656 -14.475 -4.645 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.195 -15.838 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.684 -16.312 -3.972 1.00 0.00 H new ATOM 0 HG SER A 90 -1.716 -16.980 -5.370 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.656 -15.142 -2.480 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.283 -15.398 -1.189 1.00 0.00 C ATOM 1428 C ALA A 91 -3.754 -16.845 -1.084 1.00 0.00 C ATOM 1429 O ALA A 91 -4.480 -17.334 -1.949 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.448 -14.445 -0.969 1.00 0.00 C ATOM 0 H ALA A 91 -3.311 -15.060 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.538 -15.229 -0.412 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.906 -14.648 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.086 -13.417 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.187 -14.586 -1.757 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.334 -17.524 -0.021 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.713 -18.915 0.194 1.00 0.00 C ATOM 1438 C GLU A 92 -5.216 -19.105 0.013 1.00 0.00 C ATOM 1439 O GLU A 92 -5.663 -20.092 -0.572 1.00 0.00 O ATOM 1440 CB GLU A 92 -3.296 -19.370 1.594 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.806 -19.233 1.859 1.00 0.00 C ATOM 1442 CD GLU A 92 -1.336 -20.104 3.008 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -2.055 -20.182 4.026 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.249 -20.708 2.890 1.00 0.00 O ATOM 0 H GLU A 92 -2.732 -17.134 0.704 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.196 -19.524 -0.548 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.843 -18.787 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.587 -20.412 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.254 -19.499 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.574 -18.191 2.079 1.00 0.00 H new ATOM 1451 N SER A 93 -5.992 -18.151 0.519 1.00 0.00 N ATOM 1452 CA SER A 93 -7.445 -18.214 0.417 1.00 0.00 C ATOM 1453 C SER A 93 -7.984 -17.039 -0.394 1.00 0.00 C ATOM 1454 O SER A 93 -7.369 -15.977 -0.480 1.00 0.00 O ATOM 1455 CB SER A 93 -8.075 -18.218 1.811 1.00 0.00 C ATOM 1456 OG SER A 93 -8.095 -19.525 2.358 1.00 0.00 O ATOM 0 H SER A 93 -5.638 -17.326 1.003 1.00 0.00 H new ATOM 0 HA SER A 93 -7.709 -19.139 -0.096 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.514 -17.554 2.469 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.091 -17.828 1.755 1.00 0.00 H new ATOM 0 HG SER A 93 -8.501 -19.500 3.250 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.163 -17.234 -1.003 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.813 -16.203 -1.818 1.00 0.00 C ATOM 1464 C PRO A 94 -10.328 -15.039 -0.977 1.00 0.00 C ATOM 1465 O PRO A 94 -10.446 -13.915 -1.464 1.00 0.00 O ATOM 1466 CB PRO A 94 -10.979 -16.949 -2.471 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.273 -18.077 -1.544 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.953 -18.475 -0.944 1.00 0.00 C ATOM 0 HA PRO A 94 -9.124 -15.754 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.846 -16.300 -2.592 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.711 -17.312 -3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.977 -17.772 -0.770 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.727 -18.912 -2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -10.068 -18.830 0.080 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.481 -19.279 -1.509 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.633 -15.318 0.286 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.137 -14.293 1.193 1.00 0.00 C ATOM 1478 C GLU A 95 -10.050 -13.272 1.518 1.00 0.00 C ATOM 1479 O GLU A 95 -10.327 -12.083 1.668 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.653 -14.932 2.484 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.591 -15.703 3.249 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.053 -16.118 4.632 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -12.149 -16.709 4.738 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -10.321 -15.852 5.608 1.00 0.00 O ATOM 0 H GLU A 95 -10.540 -16.244 0.704 1.00 0.00 H new ATOM 0 HA GLU A 95 -11.959 -13.778 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.058 -14.152 3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.475 -15.605 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.313 -16.591 2.681 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.695 -15.088 3.339 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.813 -13.747 1.625 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.685 -12.876 1.933 1.00 0.00 C ATOM 1493 C GLU A 96 -7.335 -11.995 0.737 1.00 0.00 C ATOM 1494 O GLU A 96 -7.104 -10.796 0.885 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.467 -13.707 2.342 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.449 -14.078 3.815 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.738 -15.391 4.078 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.680 -15.627 3.458 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -6.239 -16.183 4.904 1.00 0.00 O ATOM 0 H GLU A 96 -8.567 -14.729 1.503 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.973 -12.232 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.444 -14.619 1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.561 -13.149 2.106 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.959 -13.285 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.473 -14.144 4.182 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.298 -12.601 -0.445 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.975 -11.872 -1.666 1.00 0.00 C ATOM 1508 C GLN A 97 -7.767 -10.571 -1.749 1.00 0.00 C ATOM 1509 O GLN A 97 -7.191 -9.485 -1.798 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.264 -12.738 -2.894 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.079 -12.005 -4.213 1.00 0.00 C ATOM 1512 CD GLN A 97 -7.931 -12.581 -5.326 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -8.928 -13.258 -5.072 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.543 -12.316 -6.567 1.00 0.00 N ATOM 0 H GLN A 97 -7.487 -13.594 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.913 -11.629 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.608 -13.609 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.287 -13.108 -2.834 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.329 -10.953 -4.077 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.030 -12.049 -4.504 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -6.710 -11.750 -6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.078 -12.678 -7.357 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.091 -10.690 -1.764 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.961 -9.522 -1.843 1.00 0.00 C ATOM 1525 C GLU A 98 -9.673 -8.551 -0.701 1.00 0.00 C ATOM 1526 O GLU A 98 -9.497 -7.353 -0.921 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.430 -9.950 -1.805 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.871 -10.724 -3.036 1.00 0.00 C ATOM 1529 CD GLU A 98 -11.770 -9.904 -4.307 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -12.741 -9.187 -4.629 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -10.721 -9.980 -4.981 1.00 0.00 O ATOM 0 H GLU A 98 -9.584 -11.582 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.762 -9.015 -2.787 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.598 -10.565 -0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.055 -9.063 -1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.258 -11.620 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -12.901 -11.056 -2.903 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.627 -9.078 0.518 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.359 -8.259 1.694 1.00 0.00 C ATOM 1540 C ALA A 99 -8.133 -7.379 1.482 1.00 0.00 C ATOM 1541 O ALA A 99 -8.155 -6.185 1.782 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.173 -9.141 2.920 1.00 0.00 C ATOM 0 H ALA A 99 -9.772 -10.068 0.717 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.218 -7.607 1.856 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.974 -8.516 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.079 -9.723 3.091 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.333 -9.817 2.758 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.065 -7.975 0.964 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.828 -7.244 0.713 1.00 0.00 C ATOM 1550 C TRP A 100 -6.022 -6.208 -0.389 1.00 0.00 C ATOM 1551 O TRP A 100 -5.751 -5.023 -0.194 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.708 -8.212 0.329 1.00 0.00 C ATOM 1553 CG TRP A 100 -3.988 -8.787 1.511 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.180 -10.018 2.069 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.962 -8.151 2.281 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.336 -10.187 3.139 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.577 -9.056 3.290 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.329 -6.907 2.215 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.590 -8.753 4.224 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.350 -6.608 3.143 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.988 -7.528 4.136 1.00 0.00 C ATOM 0 H TRP A 100 -7.031 -8.962 0.710 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.550 -6.724 1.630 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.128 -9.026 -0.263 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.991 -7.693 -0.307 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.892 -10.752 1.720 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.283 -11.019 3.726 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.600 -6.192 1.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.310 -9.460 4.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.855 -5.649 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.218 -7.265 4.846 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.493 -6.663 -1.546 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.724 -5.774 -2.678 1.00 0.00 C ATOM 1574 C ILE A 101 -7.357 -4.462 -2.227 1.00 0.00 C ATOM 1575 O ILE A 101 -7.074 -3.402 -2.784 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.631 -6.432 -3.734 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.909 -7.606 -4.399 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.061 -5.409 -4.775 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.833 -8.533 -5.157 1.00 0.00 C ATOM 0 H ILE A 101 -6.722 -7.641 -1.724 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.750 -5.570 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.523 -6.813 -3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.155 -7.217 -5.084 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.381 -8.177 -3.635 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.702 -5.890 -5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.610 -4.603 -4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.180 -5.000 -5.269 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.253 -9.341 -5.602 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.571 -8.951 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.342 -7.976 -5.944 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.212 -4.542 -1.212 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.884 -3.360 -0.686 1.00 0.00 C ATOM 1593 C GLN A 102 -8.031 -2.678 0.379 1.00 0.00 C ATOM 1594 O GLN A 102 -7.798 -1.471 0.322 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.245 -3.740 -0.099 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.158 -4.446 -1.088 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.626 -4.182 -0.819 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.018 -3.060 -0.494 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.448 -5.216 -0.951 1.00 0.00 N ATOM 0 H GLN A 102 -8.455 -5.412 -0.738 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.033 -2.661 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.091 -4.386 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.741 -2.838 0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.914 -4.120 -2.099 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.972 -5.519 -1.046 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -13.081 -6.128 -1.222 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.447 -5.098 -0.781 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.567 -3.459 1.349 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.739 -2.931 2.425 1.00 0.00 C ATOM 1610 C ALA A 103 -5.569 -2.124 1.872 1.00 0.00 C ATOM 1611 O ALA A 103 -5.407 -0.947 2.193 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.232 -4.064 3.306 1.00 0.00 C ATOM 0 H ALA A 103 -7.751 -4.460 1.411 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.354 -2.263 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.615 -3.655 4.106 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.080 -4.596 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.638 -4.754 2.706 1.00 0.00 H new ATOM 1618 N MET A 104 -4.755 -2.765 1.040 1.00 0.00 N ATOM 1619 CA MET A 104 -3.600 -2.106 0.442 1.00 0.00 C ATOM 1620 C MET A 104 -4.018 -1.253 -0.752 1.00 0.00 C ATOM 1621 O MET A 104 -3.272 -0.382 -1.196 1.00 0.00 O ATOM 1622 CB MET A 104 -2.564 -3.143 0.004 1.00 0.00 C ATOM 1623 CG MET A 104 -2.955 -3.899 -1.256 1.00 0.00 C ATOM 1624 SD MET A 104 -1.532 -4.590 -2.122 1.00 0.00 S ATOM 1625 CE MET A 104 -0.663 -5.379 -0.769 1.00 0.00 C ATOM 0 H MET A 104 -4.874 -3.740 0.765 1.00 0.00 H new ATOM 0 HA MET A 104 -3.156 -1.454 1.194 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.610 -2.643 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.412 -3.857 0.814 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.642 -4.704 -0.994 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.492 -3.228 -1.926 1.00 0.00 H new ATOM 0 HE1 MET A 104 0.278 -5.792 -1.132 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.460 -4.645 0.011 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.277 -6.181 -0.361 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.217 -1.510 -1.266 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.713 -0.757 -2.403 1.00 0.00 C ATOM 1637 C GLY A 105 -6.074 0.670 -2.041 1.00 0.00 C ATOM 1638 O GLY A 105 -5.747 1.604 -2.773 1.00 0.00 O ATOM 0 H GLY A 105 -5.853 -2.226 -0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.956 -0.749 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.591 -1.258 -2.812 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.750 0.839 -0.910 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.157 2.163 -0.454 1.00 0.00 C ATOM 1644 C GLU A 106 -5.942 3.013 -0.095 1.00 0.00 C ATOM 1645 O GLU A 106 -5.878 4.196 -0.426 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.088 2.047 0.755 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.355 2.013 2.085 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.296 1.875 3.266 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.017 0.859 3.335 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.310 2.785 4.122 1.00 0.00 O ATOM 0 H GLU A 106 -7.028 0.076 -0.292 1.00 0.00 H new ATOM 0 HA GLU A 106 -7.691 2.651 -1.269 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.780 2.889 0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.687 1.142 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.651 1.181 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.769 2.926 2.196 1.00 0.00 H new ATOM 1657 N ALA A 107 -4.978 2.399 0.585 1.00 0.00 N ATOM 1658 CA ALA A 107 -3.764 3.097 0.988 1.00 0.00 C ATOM 1659 C ALA A 107 -3.115 3.799 -0.200 1.00 0.00 C ATOM 1660 O ALA A 107 -2.488 4.847 -0.046 1.00 0.00 O ATOM 1661 CB ALA A 107 -2.785 2.125 1.629 1.00 0.00 C ATOM 0 H ALA A 107 -5.015 1.420 0.868 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.037 3.857 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.883 2.660 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.244 1.673 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.526 1.345 0.913 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.268 3.215 -1.383 1.00 0.00 N ATOM 1668 CA ALA A 108 -2.698 3.786 -2.597 1.00 0.00 C ATOM 1669 C ALA A 108 -3.437 5.055 -3.006 1.00 0.00 C ATOM 1670 O ALA A 108 -2.817 6.058 -3.361 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.730 2.766 -3.726 1.00 0.00 C ATOM 0 H ALA A 108 -3.782 2.346 -1.527 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.661 4.051 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.301 3.206 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.151 1.888 -3.440 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.761 2.472 -3.922 1.00 0.00 H new ATOM 1677 N ARG A 109 -4.764 5.005 -2.955 1.00 0.00 N ATOM 1678 CA ARG A 109 -5.587 6.150 -3.323 1.00 0.00 C ATOM 1679 C ARG A 109 -5.071 7.425 -2.662 1.00 0.00 C ATOM 1680 O ARG A 109 -4.265 7.373 -1.732 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.043 5.909 -2.922 1.00 0.00 C ATOM 1682 CG ARG A 109 -7.870 5.236 -4.005 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.008 4.421 -3.412 1.00 0.00 C ATOM 1684 NE ARG A 109 -9.567 3.478 -4.378 1.00 0.00 N ATOM 1685 CZ ARG A 109 -10.431 2.522 -4.056 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -10.832 2.382 -2.800 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -10.895 1.703 -4.991 1.00 0.00 N ATOM 0 H ARG A 109 -5.292 4.183 -2.662 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.531 6.273 -4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -7.066 5.293 -2.023 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.503 6.863 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -8.275 5.992 -4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -7.230 4.587 -4.603 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.647 3.876 -2.540 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.793 5.093 -3.065 1.00 0.00 H new ATOM 0 HE ARG A 109 -9.278 3.558 -5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.477 3.009 -2.078 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -11.496 1.647 -2.555 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -10.588 1.807 -5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -11.558 0.969 -4.743 1.00 0.00 H new