USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 38 SER OG : rot 180:sc= -0.312 USER MOD Set 1.2: A 40 TYR OH : rot 180:sc= -0.607 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 159:sc= 0.0798 (180deg=-0.538) USER MOD Single : A 11 SER OG : rot 20:sc= 0.141! USER MOD Single : A 16 LYS NZ :NH3+ -126:sc= 0.0628 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 167:sc= -1.07 (180deg=-1.53) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -149:sc= -2.6! USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : A 63 GLN : amide:sc= -0.145 X(o=-0.14,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0542 K(o=-0.054,f=-0.75) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 4:sc= 0.59 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.618 USER MOD Single : A 83 LYS NZ :NH3+ 165:sc= -0.02 (180deg=-0.201) USER MOD Single : A 88 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.21) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 99 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.456) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.025 3.823 11.598 1.00 0.00 N ATOM 67 CA LYS A 8 3.168 4.046 10.439 1.00 0.00 C ATOM 68 C LYS A 8 3.933 3.799 9.142 1.00 0.00 C ATOM 69 O LYS A 8 3.497 4.208 8.066 1.00 0.00 O ATOM 70 CB LYS A 8 2.617 5.473 10.454 1.00 0.00 C ATOM 71 CG LYS A 8 1.256 5.607 9.792 1.00 0.00 C ATOM 72 CD LYS A 8 0.155 5.019 10.658 1.00 0.00 C ATOM 73 CE LYS A 8 -0.241 5.971 11.778 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.584 5.645 12.333 1.00 0.00 N ATOM 0 HA LYS A 8 2.338 3.342 10.491 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.545 5.815 11.487 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.324 6.132 9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.046 6.659 9.599 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.269 5.102 8.826 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.716 4.799 10.041 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.491 4.074 11.084 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.502 5.925 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.242 6.994 11.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.818 6.315 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.297 5.714 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.576 4.678 12.715 1.00 0.00 H new ATOM 88 N VAL A 9 5.074 3.127 9.252 1.00 0.00 N ATOM 89 CA VAL A 9 5.897 2.823 8.088 1.00 0.00 C ATOM 90 C VAL A 9 6.591 1.474 8.242 1.00 0.00 C ATOM 91 O VAL A 9 6.500 0.832 9.289 1.00 0.00 O ATOM 92 CB VAL A 9 6.962 3.912 7.853 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.303 5.268 7.652 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.944 3.954 9.014 1.00 0.00 C ATOM 0 H VAL A 9 5.450 2.783 10.136 1.00 0.00 H new ATOM 0 HA VAL A 9 5.228 2.788 7.228 1.00 0.00 H new ATOM 0 HB VAL A 9 7.516 3.666 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.070 6.025 7.488 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.642 5.227 6.786 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.723 5.526 8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.689 4.728 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.408 4.176 9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.440 2.988 9.106 1.00 0.00 H new ATOM 104 N LYS A 10 7.287 1.050 7.193 1.00 0.00 N ATOM 105 CA LYS A 10 8.000 -0.223 7.211 1.00 0.00 C ATOM 106 C LYS A 10 8.977 -0.315 6.043 1.00 0.00 C ATOM 107 O LYS A 10 8.751 0.271 4.984 1.00 0.00 O ATOM 108 CB LYS A 10 7.008 -1.387 7.153 1.00 0.00 C ATOM 109 CG LYS A 10 7.660 -2.749 7.309 1.00 0.00 C ATOM 110 CD LYS A 10 6.663 -3.794 7.780 1.00 0.00 C ATOM 111 CE LYS A 10 7.351 -4.923 8.531 1.00 0.00 C ATOM 112 NZ LYS A 10 7.849 -4.480 9.863 1.00 0.00 N ATOM 0 H LYS A 10 7.373 1.569 6.319 1.00 0.00 H new ATOM 0 HA LYS A 10 8.566 -0.282 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.263 -1.258 7.938 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.477 -1.354 6.201 1.00 0.00 H new ATOM 0 HG2 LYS A 10 8.090 -3.059 6.357 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.481 -2.681 8.023 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.921 -3.325 8.426 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.127 -4.200 6.922 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.654 -5.751 8.661 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.185 -5.299 7.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.982 -5.309 10.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.757 -3.986 9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.157 -3.836 10.296 1.00 0.00 H new ATOM 126 N SER A 11 10.063 -1.055 6.244 1.00 0.00 N ATOM 127 CA SER A 11 11.076 -1.222 5.208 1.00 0.00 C ATOM 128 C SER A 11 11.802 -2.554 5.369 1.00 0.00 C ATOM 129 O SER A 11 12.279 -2.887 6.453 1.00 0.00 O ATOM 130 CB SER A 11 12.082 -0.070 5.259 1.00 0.00 C ATOM 131 OG SER A 11 12.975 -0.221 6.348 1.00 0.00 O ATOM 0 H SER A 11 10.264 -1.548 7.114 1.00 0.00 H new ATOM 0 HA SER A 11 10.576 -1.215 4.240 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.644 -0.033 4.326 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.551 0.877 5.349 1.00 0.00 H new ATOM 0 HG SER A 11 12.974 -1.155 6.645 1.00 0.00 H new ATOM 137 N GLY A 12 11.883 -3.312 4.280 1.00 0.00 N ATOM 138 CA GLY A 12 12.552 -4.599 4.320 1.00 0.00 C ATOM 139 C GLY A 12 12.626 -5.257 2.956 1.00 0.00 C ATOM 140 O GLY A 12 11.956 -4.829 2.016 1.00 0.00 O ATOM 0 H GLY A 12 11.497 -3.058 3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.561 -4.469 4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.024 -5.258 5.010 1.00 0.00 H new ATOM 144 N TRP A 13 13.442 -6.299 2.847 1.00 0.00 N ATOM 145 CA TRP A 13 13.601 -7.017 1.588 1.00 0.00 C ATOM 146 C TRP A 13 12.338 -7.796 1.241 1.00 0.00 C ATOM 147 O TRP A 13 12.060 -8.842 1.830 1.00 0.00 O ATOM 148 CB TRP A 13 14.797 -7.968 1.666 1.00 0.00 C ATOM 149 CG TRP A 13 16.107 -7.262 1.841 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.950 -7.352 2.912 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.723 -6.356 0.919 1.00 0.00 C ATOM 152 NE1 TRP A 13 18.052 -6.557 2.711 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.938 -5.937 1.495 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.367 -5.861 -0.338 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.795 -5.045 0.857 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.219 -4.976 -0.971 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.422 -4.576 -0.373 1.00 0.00 C ATOM 0 H TRP A 13 14.004 -6.666 3.615 1.00 0.00 H new ATOM 0 HA TRP A 13 13.780 -6.284 0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.650 -8.657 2.497 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.835 -8.568 0.757 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.776 -7.959 3.788 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.829 -6.446 3.362 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.443 -6.165 -0.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.722 -4.734 1.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.954 -4.586 -1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 13 19.067 -3.884 -0.894 1.00 0.00 H new ATOM 168 N LEU A 14 11.575 -7.282 0.282 1.00 0.00 N ATOM 169 CA LEU A 14 10.340 -7.931 -0.143 1.00 0.00 C ATOM 170 C LEU A 14 10.476 -8.489 -1.556 1.00 0.00 C ATOM 171 O LEU A 14 11.113 -7.880 -2.416 1.00 0.00 O ATOM 172 CB LEU A 14 9.174 -6.942 -0.083 1.00 0.00 C ATOM 173 CG LEU A 14 8.722 -6.521 1.316 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.742 -5.361 1.233 1.00 0.00 C ATOM 175 CD2 LEU A 14 8.099 -7.698 2.052 1.00 0.00 C ATOM 0 H LEU A 14 11.790 -6.418 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 14 10.141 -8.759 0.537 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.455 -6.046 -0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.322 -7.383 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 14 9.597 -6.191 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.431 -5.075 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.223 -4.512 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.869 -5.663 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.783 -7.380 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.235 -8.059 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.832 -8.499 2.144 1.00 0.00 H new ATOM 187 N ASP A 15 9.872 -9.649 -1.789 1.00 0.00 N ATOM 188 CA ASP A 15 9.924 -10.288 -3.099 1.00 0.00 C ATOM 189 C ASP A 15 8.706 -9.909 -3.937 1.00 0.00 C ATOM 190 O ASP A 15 7.607 -9.731 -3.410 1.00 0.00 O ATOM 191 CB ASP A 15 10.000 -11.808 -2.947 1.00 0.00 C ATOM 192 CG ASP A 15 11.420 -12.298 -2.743 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.163 -11.660 -1.968 1.00 0.00 O ATOM 194 OD2 ASP A 15 11.788 -13.321 -3.358 1.00 0.00 O ATOM 0 H ASP A 15 9.341 -10.166 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 15 10.820 -9.937 -3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.387 -12.117 -2.100 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.579 -12.281 -3.835 1.00 0.00 H new ATOM 199 N LYS A 16 8.908 -9.786 -5.244 1.00 0.00 N ATOM 200 CA LYS A 16 7.828 -9.429 -6.156 1.00 0.00 C ATOM 201 C LYS A 16 7.676 -10.474 -7.256 1.00 0.00 C ATOM 202 O LYS A 16 8.665 -10.998 -7.769 1.00 0.00 O ATOM 203 CB LYS A 16 8.090 -8.054 -6.776 1.00 0.00 C ATOM 204 CG LYS A 16 7.134 -7.703 -7.903 1.00 0.00 C ATOM 205 CD LYS A 16 5.781 -7.264 -7.370 1.00 0.00 C ATOM 206 CE LYS A 16 4.689 -7.431 -8.416 1.00 0.00 C ATOM 207 NZ LYS A 16 4.881 -6.509 -9.570 1.00 0.00 N ATOM 0 H LYS A 16 9.811 -9.929 -5.696 1.00 0.00 H new ATOM 0 HA LYS A 16 6.901 -9.392 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.016 -7.294 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.112 -8.024 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.563 -6.906 -8.510 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.006 -8.567 -8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.531 -7.848 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.832 -6.220 -7.059 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.681 -8.461 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.717 -7.244 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.014 -5.954 -9.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.674 -5.866 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.089 -7.062 -10.426 1.00 0.00 H new ATOM 221 N LEU A 17 6.432 -10.772 -7.615 1.00 0.00 N ATOM 222 CA LEU A 17 6.151 -11.754 -8.656 1.00 0.00 C ATOM 223 C LEU A 17 6.670 -11.277 -10.009 1.00 0.00 C ATOM 224 O LEU A 17 5.982 -10.554 -10.729 1.00 0.00 O ATOM 225 CB LEU A 17 4.647 -12.021 -8.740 1.00 0.00 C ATOM 226 CG LEU A 17 4.233 -13.311 -9.449 1.00 0.00 C ATOM 227 CD1 LEU A 17 4.664 -14.526 -8.642 1.00 0.00 C ATOM 228 CD2 LEU A 17 2.730 -13.331 -9.685 1.00 0.00 C ATOM 0 H LEU A 17 5.602 -10.348 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 17 6.665 -12.680 -8.396 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.245 -12.042 -7.727 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.177 -11.181 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 17 4.733 -13.347 -10.417 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.361 -15.435 -9.162 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.748 -14.519 -8.525 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.193 -14.496 -7.660 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.453 -14.256 -10.190 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.211 -13.271 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.448 -12.480 -10.305 1.00 0.00 H new ATOM 372 N GLN A 26 11.570 -11.881 -7.498 1.00 0.00 N ATOM 373 CA GLN A 26 12.707 -10.981 -7.654 1.00 0.00 C ATOM 374 C GLN A 26 12.848 -10.068 -6.441 1.00 0.00 C ATOM 375 O GLN A 26 11.912 -9.359 -6.071 1.00 0.00 O ATOM 376 CB GLN A 26 12.550 -10.142 -8.923 1.00 0.00 C ATOM 377 CG GLN A 26 12.770 -10.930 -10.204 1.00 0.00 C ATOM 378 CD GLN A 26 14.170 -11.502 -10.305 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.379 -12.700 -10.115 1.00 0.00 O ATOM 380 NE2 GLN A 26 15.140 -10.645 -10.606 1.00 0.00 N ATOM 0 HA GLN A 26 13.609 -11.587 -7.737 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.550 -9.708 -8.940 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.257 -9.313 -8.890 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.045 -11.743 -10.255 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.584 -10.282 -11.061 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.922 -9.660 -10.755 1.00 0.00 H new ATOM 0 HE22 GLN A 26 16.103 -10.972 -10.688 1.00 0.00 H new ATOM 389 N LYS A 27 14.025 -10.091 -5.823 1.00 0.00 N ATOM 390 CA LYS A 27 14.290 -9.264 -4.652 1.00 0.00 C ATOM 391 C LYS A 27 14.475 -7.803 -5.047 1.00 0.00 C ATOM 392 O LYS A 27 15.338 -7.474 -5.861 1.00 0.00 O ATOM 393 CB LYS A 27 15.537 -9.767 -3.920 1.00 0.00 C ATOM 394 CG LYS A 27 15.915 -8.925 -2.713 1.00 0.00 C ATOM 395 CD LYS A 27 16.868 -7.804 -3.092 1.00 0.00 C ATOM 396 CE LYS A 27 18.319 -8.254 -3.009 1.00 0.00 C ATOM 397 NZ LYS A 27 18.627 -9.321 -4.001 1.00 0.00 N ATOM 0 H LYS A 27 14.810 -10.674 -6.114 1.00 0.00 H new ATOM 0 HA LYS A 27 13.430 -9.335 -3.986 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.369 -10.795 -3.597 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.375 -9.785 -4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.015 -8.503 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.379 -9.559 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.648 -7.465 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.712 -6.952 -2.430 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.974 -7.400 -3.179 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.528 -8.621 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.657 -9.446 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.189 -10.214 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.250 -9.049 -4.931 1.00 0.00 H new ATOM 411 N ARG A 28 13.660 -6.930 -4.464 1.00 0.00 N ATOM 412 CA ARG A 28 13.734 -5.503 -4.756 1.00 0.00 C ATOM 413 C ARG A 28 13.412 -4.677 -3.514 1.00 0.00 C ATOM 414 O ARG A 28 12.319 -4.777 -2.956 1.00 0.00 O ATOM 415 CB ARG A 28 12.768 -5.141 -5.886 1.00 0.00 C ATOM 416 CG ARG A 28 13.099 -5.815 -7.208 1.00 0.00 C ATOM 417 CD ARG A 28 14.165 -5.048 -7.974 1.00 0.00 C ATOM 418 NE ARG A 28 15.513 -5.489 -7.625 1.00 0.00 N ATOM 419 CZ ARG A 28 16.105 -6.546 -8.171 1.00 0.00 C ATOM 420 NH1 ARG A 28 15.471 -7.265 -9.086 1.00 0.00 N ATOM 421 NH2 ARG A 28 17.333 -6.884 -7.802 1.00 0.00 N ATOM 0 H ARG A 28 12.941 -7.185 -3.787 1.00 0.00 H new ATOM 0 HA ARG A 28 14.752 -5.274 -5.070 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.756 -5.417 -5.590 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.775 -4.060 -6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.444 -6.832 -7.022 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.197 -5.890 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.007 -5.178 -9.045 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.066 -3.983 -7.765 1.00 0.00 H new ATOM 0 HE ARG A 28 16.028 -4.957 -6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.527 -7.007 -9.373 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.927 -8.076 -9.504 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.824 -6.332 -7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.786 -7.696 -8.222 1.00 0.00 H new ATOM 435 N TRP A 29 14.370 -3.862 -3.088 1.00 0.00 N ATOM 436 CA TRP A 29 14.189 -3.019 -1.912 1.00 0.00 C ATOM 437 C TRP A 29 12.828 -2.332 -1.939 1.00 0.00 C ATOM 438 O TRP A 29 12.339 -1.943 -2.999 1.00 0.00 O ATOM 439 CB TRP A 29 15.300 -1.971 -1.833 1.00 0.00 C ATOM 440 CG TRP A 29 15.137 -1.016 -0.690 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.453 0.166 -0.701 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.669 -1.162 0.631 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.529 0.764 0.534 1.00 0.00 N ATOM 444 CE2 TRP A 29 15.268 -0.030 1.369 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.444 -2.138 1.264 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.617 0.149 2.705 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.790 -1.958 2.589 1.00 0.00 C ATOM 448 CH2 TRP A 29 16.376 -0.823 3.299 1.00 0.00 C ATOM 0 H TRP A 29 15.280 -3.767 -3.539 1.00 0.00 H new ATOM 0 HA TRP A 29 14.237 -3.656 -1.029 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.261 -2.477 -1.740 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.326 -1.408 -2.766 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.930 0.571 -1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.103 1.656 0.788 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.767 -3.017 0.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 15.300 1.024 3.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.390 -2.705 3.087 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.661 -0.713 4.335 1.00 0.00 H new ATOM 459 N VAL A 30 12.220 -2.186 -0.766 1.00 0.00 N ATOM 460 CA VAL A 30 10.915 -1.544 -0.655 1.00 0.00 C ATOM 461 C VAL A 30 10.834 -0.674 0.594 1.00 0.00 C ATOM 462 O VAL A 30 11.410 -1.003 1.632 1.00 0.00 O ATOM 463 CB VAL A 30 9.780 -2.584 -0.618 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.428 -1.895 -0.506 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.833 -3.475 -1.849 1.00 0.00 C ATOM 0 H VAL A 30 12.610 -2.504 0.121 1.00 0.00 H new ATOM 0 HA VAL A 30 10.795 -0.917 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 30 9.915 -3.212 0.262 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.638 -2.646 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.396 -1.304 0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.280 -1.241 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 30 9.024 -4.204 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.724 -2.864 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.790 -3.997 -1.880 1.00 0.00 H new ATOM 475 N LYS A 31 10.115 0.438 0.488 1.00 0.00 N ATOM 476 CA LYS A 31 9.956 1.357 1.609 1.00 0.00 C ATOM 477 C LYS A 31 8.605 2.062 1.547 1.00 0.00 C ATOM 478 O LYS A 31 8.138 2.435 0.471 1.00 0.00 O ATOM 479 CB LYS A 31 11.084 2.391 1.612 1.00 0.00 C ATOM 480 CG LYS A 31 10.905 3.484 2.651 1.00 0.00 C ATOM 481 CD LYS A 31 11.093 2.949 4.061 1.00 0.00 C ATOM 482 CE LYS A 31 11.236 4.077 5.071 1.00 0.00 C ATOM 483 NZ LYS A 31 12.635 4.581 5.145 1.00 0.00 N ATOM 0 H LYS A 31 9.633 0.725 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 31 10.001 0.777 2.531 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.031 1.882 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.150 2.848 0.624 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.622 4.284 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.910 3.919 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.242 2.324 4.330 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.978 2.314 4.095 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.569 4.895 4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.924 3.726 6.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.691 5.349 5.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.268 3.807 5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.924 4.940 4.213 1.00 0.00 H new ATOM 497 N PHE A 32 7.984 2.244 2.708 1.00 0.00 N ATOM 498 CA PHE A 32 6.686 2.905 2.785 1.00 0.00 C ATOM 499 C PHE A 32 6.731 4.077 3.761 1.00 0.00 C ATOM 500 O PHE A 32 7.422 4.025 4.779 1.00 0.00 O ATOM 501 CB PHE A 32 5.607 1.910 3.214 1.00 0.00 C ATOM 502 CG PHE A 32 4.236 2.516 3.309 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.666 3.147 2.215 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.517 2.453 4.491 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.405 3.706 2.300 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.255 3.010 4.582 1.00 0.00 C ATOM 507 CZ PHE A 32 1.698 3.637 3.484 1.00 0.00 C ATOM 0 H PHE A 32 8.358 1.943 3.608 1.00 0.00 H new ATOM 0 HA PHE A 32 6.442 3.288 1.794 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.582 1.084 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.877 1.489 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.213 3.203 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.947 1.963 5.352 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.973 4.197 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.705 2.955 5.510 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.712 4.072 3.552 1.00 0.00 H new ATOM 517 N ASP A 33 5.989 5.132 3.444 1.00 0.00 N ATOM 518 CA ASP A 33 5.943 6.318 4.292 1.00 0.00 C ATOM 519 C ASP A 33 4.504 6.665 4.662 1.00 0.00 C ATOM 520 O ASP A 33 4.216 7.032 5.800 1.00 0.00 O ATOM 521 CB ASP A 33 6.601 7.503 3.585 1.00 0.00 C ATOM 522 CG ASP A 33 6.890 8.653 4.530 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.338 8.389 5.666 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.668 9.817 4.135 1.00 0.00 O ATOM 0 H ASP A 33 5.411 5.191 2.606 1.00 0.00 H new ATOM 0 HA ASP A 33 6.493 6.101 5.208 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.531 7.175 3.121 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.950 7.851 2.783 1.00 0.00 H new ATOM 529 N GLY A 34 3.604 6.547 3.690 1.00 0.00 N ATOM 530 CA GLY A 34 2.206 6.854 3.933 1.00 0.00 C ATOM 531 C GLY A 34 1.477 7.273 2.672 1.00 0.00 C ATOM 532 O GLY A 34 0.279 7.025 2.527 1.00 0.00 O ATOM 0 H GLY A 34 3.818 6.245 2.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.714 5.980 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.136 7.652 4.672 1.00 0.00 H new ATOM 536 N LEU A 35 2.199 7.910 1.757 1.00 0.00 N ATOM 537 CA LEU A 35 1.613 8.367 0.502 1.00 0.00 C ATOM 538 C LEU A 35 1.663 7.267 -0.554 1.00 0.00 C ATOM 539 O LEU A 35 0.662 6.976 -1.210 1.00 0.00 O ATOM 540 CB LEU A 35 2.347 9.609 -0.005 1.00 0.00 C ATOM 541 CG LEU A 35 2.129 10.892 0.798 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.247 11.887 0.529 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.776 11.505 0.467 1.00 0.00 C ATOM 0 H LEU A 35 3.191 8.122 1.861 1.00 0.00 H new ATOM 0 HA LEU A 35 0.569 8.620 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.415 9.393 -0.024 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.041 9.792 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 35 2.142 10.640 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.075 12.794 1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.202 11.448 0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.267 12.134 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.638 12.417 1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.734 11.742 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.015 10.796 0.712 1.00 0.00 H new ATOM 555 N SER A 36 2.833 6.657 -0.711 1.00 0.00 N ATOM 556 CA SER A 36 3.014 5.590 -1.689 1.00 0.00 C ATOM 557 C SER A 36 4.159 4.668 -1.280 1.00 0.00 C ATOM 558 O SER A 36 4.851 4.919 -0.293 1.00 0.00 O ATOM 559 CB SER A 36 3.288 6.179 -3.074 1.00 0.00 C ATOM 560 OG SER A 36 4.421 7.030 -3.051 1.00 0.00 O ATOM 0 H SER A 36 3.670 6.883 -0.174 1.00 0.00 H new ATOM 0 HA SER A 36 2.095 5.005 -1.727 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.449 5.373 -3.790 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.416 6.738 -3.414 1.00 0.00 H new ATOM 0 HG SER A 36 4.311 7.739 -3.718 1.00 0.00 H new ATOM 566 N ILE A 37 4.352 3.600 -2.046 1.00 0.00 N ATOM 567 CA ILE A 37 5.413 2.641 -1.766 1.00 0.00 C ATOM 568 C ILE A 37 6.535 2.745 -2.794 1.00 0.00 C ATOM 569 O ILE A 37 6.337 2.456 -3.974 1.00 0.00 O ATOM 570 CB ILE A 37 4.877 1.197 -1.751 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.813 1.036 -0.663 1.00 0.00 C ATOM 572 CG2 ILE A 37 6.016 0.211 -1.536 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.788 -0.032 -0.974 1.00 0.00 C ATOM 0 H ILE A 37 3.787 3.377 -2.866 1.00 0.00 H new ATOM 0 HA ILE A 37 5.805 2.885 -0.779 1.00 0.00 H new ATOM 0 HB ILE A 37 4.417 0.986 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.303 0.794 0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.302 1.988 -0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.621 -0.805 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.742 0.312 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.502 0.419 -0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.065 -0.091 -0.160 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.271 0.218 -1.900 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.288 -0.994 -1.086 1.00 0.00 H new ATOM 585 N SER A 38 7.713 3.157 -2.337 1.00 0.00 N ATOM 586 CA SER A 38 8.866 3.300 -3.217 1.00 0.00 C ATOM 587 C SER A 38 9.784 2.086 -3.114 1.00 0.00 C ATOM 588 O SER A 38 10.315 1.784 -2.045 1.00 0.00 O ATOM 589 CB SER A 38 9.644 4.572 -2.871 1.00 0.00 C ATOM 590 OG SER A 38 9.041 5.713 -3.455 1.00 0.00 O ATOM 0 H SER A 38 7.894 3.398 -1.362 1.00 0.00 H new ATOM 0 HA SER A 38 8.502 3.372 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.686 4.693 -1.789 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.672 4.480 -3.222 1.00 0.00 H new ATOM 0 HG SER A 38 9.556 6.513 -3.218 1.00 0.00 H new ATOM 596 N TYR A 39 9.964 1.392 -4.232 1.00 0.00 N ATOM 597 CA TYR A 39 10.815 0.208 -4.268 1.00 0.00 C ATOM 598 C TYR A 39 11.902 0.351 -5.329 1.00 0.00 C ATOM 599 O TYR A 39 11.612 0.564 -6.507 1.00 0.00 O ATOM 600 CB TYR A 39 9.976 -1.040 -4.546 1.00 0.00 C ATOM 601 CG TYR A 39 9.352 -1.056 -5.923 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.158 -0.393 -6.174 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.957 -1.736 -6.973 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.584 -0.406 -7.431 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.391 -1.753 -8.233 1.00 0.00 C ATOM 606 CZ TYR A 39 8.205 -1.086 -8.457 1.00 0.00 C ATOM 607 OH TYR A 39 7.637 -1.102 -9.710 1.00 0.00 O ATOM 0 H TYR A 39 9.532 1.629 -5.125 1.00 0.00 H new ATOM 0 HA TYR A 39 11.294 0.106 -3.294 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.605 -1.923 -4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.187 -1.111 -3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.670 0.142 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.886 -2.260 -6.801 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.654 0.114 -7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.875 -2.286 -9.038 1.00 0.00 H new ATOM 0 HH TYR A 39 8.201 -1.624 -10.318 1.00 0.00 H new ATOM 617 N TYR A 40 13.154 0.231 -4.903 1.00 0.00 N ATOM 618 CA TYR A 40 14.286 0.348 -5.815 1.00 0.00 C ATOM 619 C TYR A 40 15.111 -0.936 -5.827 1.00 0.00 C ATOM 620 O TYR A 40 14.924 -1.815 -4.987 1.00 0.00 O ATOM 621 CB TYR A 40 15.170 1.531 -5.415 1.00 0.00 C ATOM 622 CG TYR A 40 14.390 2.737 -4.942 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.902 2.808 -3.643 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.142 3.806 -5.794 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.188 3.907 -3.208 1.00 0.00 C ATOM 626 CE2 TYR A 40 13.431 4.910 -5.367 1.00 0.00 C ATOM 627 CZ TYR A 40 12.955 4.956 -4.073 1.00 0.00 C ATOM 628 OH TYR A 40 12.246 6.053 -3.642 1.00 0.00 O ATOM 0 H TYR A 40 13.411 0.053 -3.932 1.00 0.00 H new ATOM 0 HA TYR A 40 13.895 0.517 -6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.849 1.215 -4.623 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.786 1.818 -6.267 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.084 1.990 -2.962 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.512 3.773 -6.808 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.814 3.945 -2.196 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.249 5.733 -6.042 1.00 0.00 H new ATOM 0 HH TYR A 40 12.171 6.702 -4.373 1.00 0.00 H new ATOM 789 N GLY A 50 9.846 2.754 -10.116 1.00 0.00 N ATOM 790 CA GLY A 50 8.858 1.826 -9.597 1.00 0.00 C ATOM 791 C GLY A 50 8.233 2.307 -8.303 1.00 0.00 C ATOM 792 O GLY A 50 8.867 2.268 -7.248 1.00 0.00 O ATOM 0 HA2 GLY A 50 8.076 1.679 -10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.327 0.856 -9.432 1.00 0.00 H new ATOM 796 N ILE A 51 6.988 2.763 -8.383 1.00 0.00 N ATOM 797 CA ILE A 51 6.278 3.255 -7.209 1.00 0.00 C ATOM 798 C ILE A 51 4.799 2.889 -7.267 1.00 0.00 C ATOM 799 O ILE A 51 4.228 2.744 -8.349 1.00 0.00 O ATOM 800 CB ILE A 51 6.412 4.782 -7.068 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.852 5.243 -5.721 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.698 5.484 -8.213 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.435 6.554 -5.241 1.00 0.00 C ATOM 0 H ILE A 51 6.450 2.802 -9.249 1.00 0.00 H new ATOM 0 HA ILE A 51 6.734 2.777 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 51 7.469 5.045 -7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.770 5.344 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.045 4.473 -4.974 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.802 6.563 -8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.139 5.175 -9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.641 5.218 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.992 6.819 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.514 6.452 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.219 7.336 -5.969 1.00 0.00 H new ATOM 815 N ILE A 52 4.184 2.742 -6.098 1.00 0.00 N ATOM 816 CA ILE A 52 2.771 2.396 -6.017 1.00 0.00 C ATOM 817 C ILE A 52 2.011 3.390 -5.144 1.00 0.00 C ATOM 818 O ILE A 52 2.211 3.468 -3.932 1.00 0.00 O ATOM 819 CB ILE A 52 2.570 0.977 -5.454 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.258 -0.053 -6.352 1.00 0.00 C ATOM 821 CG2 ILE A 52 1.087 0.665 -5.321 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.598 -1.344 -5.640 1.00 0.00 C ATOM 0 H ILE A 52 4.643 2.857 -5.194 1.00 0.00 H new ATOM 0 HA ILE A 52 2.378 2.434 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 52 3.022 0.927 -4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.610 -0.275 -7.200 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.173 0.382 -6.755 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.961 -0.341 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.623 1.384 -4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.613 0.729 -6.300 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.083 -2.027 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.272 -1.135 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.684 -1.802 -5.260 1.00 0.00 H new ATOM 834 N PRO A 53 1.117 4.167 -5.773 1.00 0.00 N ATOM 835 CA PRO A 53 0.307 5.168 -5.072 1.00 0.00 C ATOM 836 C PRO A 53 -0.739 4.533 -4.161 1.00 0.00 C ATOM 837 O PRO A 53 -1.552 3.720 -4.604 1.00 0.00 O ATOM 838 CB PRO A 53 -0.371 5.935 -6.210 1.00 0.00 C ATOM 839 CG PRO A 53 -0.411 4.972 -7.346 1.00 0.00 C ATOM 840 CD PRO A 53 0.827 4.127 -7.216 1.00 0.00 C ATOM 0 HA PRO A 53 0.911 5.795 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.374 6.256 -5.928 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.190 6.832 -6.472 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.310 4.357 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.427 5.496 -8.302 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.656 3.108 -7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.652 4.530 -7.803 1.00 0.00 H new ATOM 848 N LEU A 54 -0.712 4.909 -2.887 1.00 0.00 N ATOM 849 CA LEU A 54 -1.659 4.377 -1.913 1.00 0.00 C ATOM 850 C LEU A 54 -3.080 4.395 -2.468 1.00 0.00 C ATOM 851 O LEU A 54 -3.851 3.459 -2.257 1.00 0.00 O ATOM 852 CB LEU A 54 -1.595 5.185 -0.616 1.00 0.00 C ATOM 853 CG LEU A 54 -2.767 5.000 0.348 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.486 3.864 1.319 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.044 6.292 1.104 1.00 0.00 C ATOM 0 H LEU A 54 -0.045 5.580 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.384 3.343 -1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.675 4.923 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.525 6.242 -0.873 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.653 4.744 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.331 3.747 1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.337 2.939 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.588 4.091 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.881 6.142 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.159 6.577 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.290 7.083 0.395 1.00 0.00 H new ATOM 867 N SER A 55 -3.418 5.466 -3.179 1.00 0.00 N ATOM 868 CA SER A 55 -4.747 5.607 -3.763 1.00 0.00 C ATOM 869 C SER A 55 -5.071 4.422 -4.666 1.00 0.00 C ATOM 870 O SER A 55 -6.180 3.888 -4.634 1.00 0.00 O ATOM 871 CB SER A 55 -4.841 6.910 -4.558 1.00 0.00 C ATOM 872 OG SER A 55 -6.078 7.001 -5.243 1.00 0.00 O ATOM 0 H SER A 55 -2.790 6.248 -3.365 1.00 0.00 H new ATOM 0 HA SER A 55 -5.474 5.632 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.732 7.760 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.021 6.963 -5.274 1.00 0.00 H new ATOM 0 HG SER A 55 -6.114 7.843 -5.742 1.00 0.00 H new ATOM 878 N ALA A 56 -4.096 4.015 -5.472 1.00 0.00 N ATOM 879 CA ALA A 56 -4.276 2.892 -6.384 1.00 0.00 C ATOM 880 C ALA A 56 -4.725 1.643 -5.634 1.00 0.00 C ATOM 881 O ALA A 56 -5.669 0.966 -6.044 1.00 0.00 O ATOM 882 CB ALA A 56 -2.988 2.618 -7.145 1.00 0.00 C ATOM 0 H ALA A 56 -3.173 4.447 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.057 3.157 -7.097 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.137 1.777 -7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.710 3.502 -7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.192 2.379 -6.439 1.00 0.00 H new ATOM 888 N ILE A 57 -4.044 1.342 -4.533 1.00 0.00 N ATOM 889 CA ILE A 57 -4.373 0.174 -3.726 1.00 0.00 C ATOM 890 C ILE A 57 -5.853 0.160 -3.358 1.00 0.00 C ATOM 891 O ILE A 57 -6.326 1.019 -2.614 1.00 0.00 O ATOM 892 CB ILE A 57 -3.534 0.126 -2.436 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.042 0.082 -2.773 1.00 0.00 C ATOM 894 CG2 ILE A 57 -3.928 -1.078 -1.593 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.158 0.623 -1.671 1.00 0.00 C ATOM 0 H ILE A 57 -3.261 1.891 -4.180 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.143 -0.703 -4.331 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.730 1.029 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.756 -0.948 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.866 0.655 -3.683 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.326 -1.099 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.983 -1.007 -1.328 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.757 -1.992 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.114 0.561 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.417 1.663 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.305 0.035 -0.765 1.00 0.00 H new ATOM 907 N SER A 58 -6.579 -0.822 -3.883 1.00 0.00 N ATOM 908 CA SER A 58 -8.006 -0.947 -3.611 1.00 0.00 C ATOM 909 C SER A 58 -8.248 -1.756 -2.340 1.00 0.00 C ATOM 910 O SER A 58 -8.908 -1.291 -1.410 1.00 0.00 O ATOM 911 CB SER A 58 -8.716 -1.610 -4.793 1.00 0.00 C ATOM 912 OG SER A 58 -10.057 -1.166 -4.897 1.00 0.00 O ATOM 0 H SER A 58 -6.202 -1.542 -4.499 1.00 0.00 H new ATOM 0 HA SER A 58 -8.412 0.054 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.182 -1.383 -5.716 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.697 -2.693 -4.672 1.00 0.00 H new ATOM 0 HG SER A 58 -10.488 -1.603 -5.661 1.00 0.00 H new ATOM 918 N THR A 59 -7.709 -2.971 -2.307 1.00 0.00 N ATOM 919 CA THR A 59 -7.866 -3.845 -1.152 1.00 0.00 C ATOM 920 C THR A 59 -6.664 -4.769 -0.994 1.00 0.00 C ATOM 921 O THR A 59 -5.815 -4.856 -1.881 1.00 0.00 O ATOM 922 CB THR A 59 -9.144 -4.698 -1.263 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.412 -5.345 -0.014 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.004 -5.742 -2.361 1.00 0.00 C ATOM 0 H THR A 59 -7.160 -3.372 -3.067 1.00 0.00 H new ATOM 0 HA THR A 59 -7.943 -3.201 -0.276 1.00 0.00 H new ATOM 0 HB THR A 59 -9.974 -4.038 -1.515 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.227 -5.884 -0.093 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.918 -6.332 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.830 -5.245 -3.315 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.163 -6.398 -2.135 1.00 0.00 H new ATOM 932 N VAL A 60 -6.598 -5.459 0.140 1.00 0.00 N ATOM 933 CA VAL A 60 -5.500 -6.378 0.414 1.00 0.00 C ATOM 934 C VAL A 60 -6.009 -7.668 1.048 1.00 0.00 C ATOM 935 O VAL A 60 -6.932 -7.649 1.863 1.00 0.00 O ATOM 936 CB VAL A 60 -4.452 -5.740 1.344 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.250 -6.658 1.503 1.00 0.00 C ATOM 938 CG2 VAL A 60 -4.027 -4.379 0.812 1.00 0.00 C ATOM 0 H VAL A 60 -7.293 -5.399 0.884 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.032 -6.607 -0.544 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.902 -5.597 2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.520 -6.190 2.164 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.571 -7.607 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.796 -6.835 0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.286 -3.942 1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.595 -4.496 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.896 -3.723 0.755 1.00 0.00 H new ATOM 948 N ARG A 61 -5.400 -8.787 0.670 1.00 0.00 N ATOM 949 CA ARG A 61 -5.791 -10.087 1.202 1.00 0.00 C ATOM 950 C ARG A 61 -4.605 -11.047 1.217 1.00 0.00 C ATOM 951 O ARG A 61 -3.902 -11.199 0.218 1.00 0.00 O ATOM 952 CB ARG A 61 -6.931 -10.680 0.371 1.00 0.00 C ATOM 953 CG ARG A 61 -6.609 -10.794 -1.110 1.00 0.00 C ATOM 954 CD ARG A 61 -7.859 -11.065 -1.932 1.00 0.00 C ATOM 955 NE ARG A 61 -8.315 -12.446 -1.797 1.00 0.00 N ATOM 956 CZ ARG A 61 -7.840 -13.451 -2.525 1.00 0.00 C ATOM 957 NH1 ARG A 61 -6.900 -13.230 -3.433 1.00 0.00 N ATOM 958 NH2 ARG A 61 -8.305 -14.680 -2.344 1.00 0.00 N ATOM 0 H ARG A 61 -4.634 -8.820 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.134 -9.944 2.227 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.175 -11.669 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.820 -10.061 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.139 -9.872 -1.453 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.888 -11.597 -1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.654 -10.389 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.656 -10.851 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.037 -12.650 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.539 -12.286 -3.574 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.537 -14.003 -3.990 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.028 -14.854 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.940 -15.451 -2.903 1.00 0.00 H new ATOM 972 N VAL A 62 -4.389 -11.694 2.358 1.00 0.00 N ATOM 973 CA VAL A 62 -3.289 -12.640 2.504 1.00 0.00 C ATOM 974 C VAL A 62 -3.511 -13.878 1.642 1.00 0.00 C ATOM 975 O VAL A 62 -4.585 -14.478 1.665 1.00 0.00 O ATOM 976 CB VAL A 62 -3.113 -13.075 3.971 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.861 -11.867 4.860 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.332 -13.851 4.446 1.00 0.00 C ATOM 0 H VAL A 62 -4.961 -11.580 3.195 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.385 -12.128 2.174 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.245 -13.731 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.739 -12.194 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.956 -11.356 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.707 -11.183 4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.191 -14.151 5.484 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.218 -13.221 4.368 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.462 -14.739 3.827 1.00 0.00 H new ATOM 988 N GLN A 63 -2.488 -14.254 0.882 1.00 0.00 N ATOM 989 CA GLN A 63 -2.572 -15.421 0.011 1.00 0.00 C ATOM 990 C GLN A 63 -1.431 -16.393 0.292 1.00 0.00 C ATOM 991 O GLN A 63 -0.324 -15.983 0.641 1.00 0.00 O ATOM 992 CB GLN A 63 -2.542 -14.992 -1.457 1.00 0.00 C ATOM 993 CG GLN A 63 -1.173 -14.528 -1.927 1.00 0.00 C ATOM 994 CD GLN A 63 -0.941 -14.796 -3.401 1.00 0.00 C ATOM 995 OE1 GLN A 63 -0.111 -15.627 -3.770 1.00 0.00 O ATOM 996 NE2 GLN A 63 -1.675 -14.090 -4.254 1.00 0.00 N ATOM 0 H GLN A 63 -1.592 -13.768 0.851 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.515 -15.928 0.215 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.866 -15.827 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.261 -14.186 -1.606 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.070 -13.460 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.403 -15.033 -1.344 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.352 -13.411 -3.904 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.562 -14.227 -5.258 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.708 -17.684 0.138 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.695 -18.695 0.380 1.00 0.00 C ATOM 1007 C GLY A 64 -0.077 -18.578 1.760 1.00 0.00 C ATOM 1008 O GLY A 64 -0.774 -18.306 2.738 1.00 0.00 O ATOM 0 H GLY A 64 -2.616 -18.048 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.139 -19.684 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.088 -18.609 -0.374 1.00 0.00 H new ATOM 1012 N ASP A 65 1.232 -18.785 1.839 1.00 0.00 N ATOM 1013 CA ASP A 65 1.944 -18.702 3.109 1.00 0.00 C ATOM 1014 C ASP A 65 2.926 -17.535 3.107 1.00 0.00 C ATOM 1015 O ASP A 65 3.675 -17.343 2.150 1.00 0.00 O ATOM 1016 CB ASP A 65 2.687 -20.010 3.388 1.00 0.00 C ATOM 1017 CG ASP A 65 1.859 -21.231 3.042 1.00 0.00 C ATOM 1018 OD1 ASP A 65 1.895 -21.659 1.870 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.175 -21.759 3.944 1.00 0.00 O ATOM 0 H ASP A 65 1.822 -19.012 1.039 1.00 0.00 H new ATOM 0 HA ASP A 65 1.211 -18.534 3.898 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.613 -20.028 2.814 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.964 -20.049 4.441 1.00 0.00 H new ATOM 1024 N ASN A 66 2.915 -16.757 4.184 1.00 0.00 N ATOM 1025 CA ASN A 66 3.803 -15.606 4.306 1.00 0.00 C ATOM 1026 C ASN A 66 3.770 -14.757 3.039 1.00 0.00 C ATOM 1027 O ASN A 66 4.806 -14.301 2.556 1.00 0.00 O ATOM 1028 CB ASN A 66 5.235 -16.069 4.585 1.00 0.00 C ATOM 1029 CG ASN A 66 5.316 -17.015 5.767 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.899 -18.171 5.681 1.00 0.00 O ATOM 1031 ND2 ASN A 66 5.854 -16.529 6.879 1.00 0.00 N ATOM 0 H ASN A 66 2.301 -16.902 4.985 1.00 0.00 H new ATOM 0 HA ASN A 66 3.455 -14.996 5.140 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.633 -16.564 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.865 -15.200 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 66 5.935 -17.119 7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 66 6.187 -15.565 6.906 1.00 0.00 H new ATOM 1038 N LYS A 67 2.571 -14.548 2.505 1.00 0.00 N ATOM 1039 CA LYS A 67 2.400 -13.752 1.295 1.00 0.00 C ATOM 1040 C LYS A 67 1.069 -13.008 1.317 1.00 0.00 C ATOM 1041 O LYS A 67 0.167 -13.351 2.082 1.00 0.00 O ATOM 1042 CB LYS A 67 2.476 -14.647 0.056 1.00 0.00 C ATOM 1043 CG LYS A 67 3.885 -15.105 -0.278 1.00 0.00 C ATOM 1044 CD LYS A 67 3.920 -15.904 -1.570 1.00 0.00 C ATOM 1045 CE LYS A 67 5.295 -16.505 -1.816 1.00 0.00 C ATOM 1046 NZ LYS A 67 5.453 -17.822 -1.139 1.00 0.00 N ATOM 0 H LYS A 67 1.703 -14.919 2.891 1.00 0.00 H new ATOM 0 HA LYS A 67 3.205 -13.019 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.846 -15.523 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.067 -14.107 -0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.539 -14.238 -0.368 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.274 -15.714 0.538 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.176 -16.700 -1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.649 -15.259 -2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.452 -16.626 -2.888 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.061 -15.818 -1.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.403 -18.199 -1.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.328 -17.702 -0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.738 -18.486 -1.500 1.00 0.00 H new ATOM 1060 N PHE A 68 0.952 -11.988 0.473 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.270 -11.196 0.396 1.00 0.00 C ATOM 1062 C PHE A 68 -0.465 -10.632 -1.009 1.00 0.00 C ATOM 1063 O PHE A 68 0.494 -10.480 -1.765 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.229 -10.055 1.414 1.00 0.00 C ATOM 1065 CG PHE A 68 0.974 -9.166 1.270 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.164 -9.481 1.906 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.913 -8.016 0.500 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.273 -8.665 1.776 1.00 0.00 C ATOM 1069 CE2 PHE A 68 2.019 -7.197 0.366 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.199 -7.522 1.005 1.00 0.00 C ATOM 0 H PHE A 68 1.688 -11.691 -0.167 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.111 -11.849 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.131 -9.452 1.309 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.242 -10.475 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.226 -10.374 2.510 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.008 -7.756 -0.001 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.195 -8.921 2.277 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.960 -6.304 -0.238 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.063 -6.883 0.902 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.713 -10.326 -1.349 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.033 -9.780 -2.663 1.00 0.00 C ATOM 1082 C GLU A 69 -2.452 -8.317 -2.557 1.00 0.00 C ATOM 1083 O GLU A 69 -3.413 -7.983 -1.864 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.149 -10.595 -3.320 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.245 -10.395 -4.823 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.196 -11.375 -5.482 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.424 -11.201 -5.333 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -3.714 -12.316 -6.146 1.00 0.00 O ATOM 0 H GLU A 69 -2.518 -10.447 -0.734 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.137 -9.839 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.985 -11.652 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.101 -10.324 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.577 -9.378 -5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.254 -10.503 -5.264 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.723 -7.447 -3.250 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.018 -6.019 -3.235 1.00 0.00 C ATOM 1097 C VAL A 70 -2.776 -5.602 -4.490 1.00 0.00 C ATOM 1098 O VAL A 70 -2.175 -5.288 -5.517 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.730 -5.181 -3.125 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.037 -3.703 -3.308 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.045 -5.431 -1.789 1.00 0.00 C ATOM 0 H VAL A 70 -0.924 -7.706 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.640 -5.833 -2.359 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.049 -5.486 -3.919 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.115 -3.127 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.480 -3.542 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.736 -3.379 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.863 -4.831 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.718 -5.154 -0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.211 -6.487 -1.703 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.103 -5.600 -4.399 1.00 0.00 N ATOM 1112 CA VAL A 71 -4.945 -5.219 -5.527 1.00 0.00 C ATOM 1113 C VAL A 71 -4.979 -3.705 -5.701 1.00 0.00 C ATOM 1114 O VAL A 71 -5.115 -2.959 -4.730 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.385 -5.737 -5.351 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.226 -5.403 -6.574 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.383 -7.235 -5.089 1.00 0.00 C ATOM 0 H VAL A 71 -4.617 -5.858 -3.557 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.509 -5.674 -6.416 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.829 -5.240 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.240 -5.777 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.254 -4.322 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.788 -5.871 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.408 -7.584 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.921 -7.751 -5.931 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.818 -7.445 -4.181 1.00 0.00 H new ATOM 1127 N THR A 72 -4.855 -3.255 -6.945 1.00 0.00 N ATOM 1128 CA THR A 72 -4.871 -1.829 -7.248 1.00 0.00 C ATOM 1129 C THR A 72 -6.211 -1.407 -7.839 1.00 0.00 C ATOM 1130 O THR A 72 -7.108 -2.231 -8.022 1.00 0.00 O ATOM 1131 CB THR A 72 -3.747 -1.451 -8.231 1.00 0.00 C ATOM 1132 OG1 THR A 72 -3.929 -2.142 -9.472 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.383 -1.791 -7.651 1.00 0.00 C ATOM 0 H THR A 72 -4.742 -3.858 -7.760 1.00 0.00 H new ATOM 0 HA THR A 72 -4.712 -1.304 -6.306 1.00 0.00 H new ATOM 0 HB THR A 72 -3.792 -0.376 -8.404 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.764 -2.654 -9.442 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.606 -1.515 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.235 -1.241 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.329 -2.861 -7.452 1.00 0.00 H new ATOM 1141 N THR A 73 -6.342 -0.118 -8.136 1.00 0.00 N ATOM 1142 CA THR A 73 -7.574 0.414 -8.706 1.00 0.00 C ATOM 1143 C THR A 73 -8.164 -0.546 -9.732 1.00 0.00 C ATOM 1144 O THR A 73 -9.381 -0.711 -9.813 1.00 0.00 O ATOM 1145 CB THR A 73 -7.339 1.781 -9.374 1.00 0.00 C ATOM 1146 OG1 THR A 73 -8.496 2.165 -10.125 1.00 0.00 O ATOM 1147 CG2 THR A 73 -6.126 1.735 -10.291 1.00 0.00 C ATOM 0 H THR A 73 -5.610 0.577 -7.991 1.00 0.00 H new ATOM 0 HA THR A 73 -8.277 0.537 -7.882 1.00 0.00 H new ATOM 0 HB THR A 73 -7.154 2.516 -8.590 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.339 3.036 -10.545 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.981 2.712 -10.751 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.241 1.472 -9.711 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.286 0.988 -11.069 1.00 0.00 H new ATOM 1155 N GLN A 74 -7.293 -1.177 -10.514 1.00 0.00 N ATOM 1156 CA GLN A 74 -7.730 -2.121 -11.536 1.00 0.00 C ATOM 1157 C GLN A 74 -6.877 -3.385 -11.509 1.00 0.00 C ATOM 1158 O GLN A 74 -7.379 -4.480 -11.252 1.00 0.00 O ATOM 1159 CB GLN A 74 -7.661 -1.475 -12.920 1.00 0.00 C ATOM 1160 CG GLN A 74 -8.423 -0.163 -13.017 1.00 0.00 C ATOM 1161 CD GLN A 74 -8.206 0.542 -14.342 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -7.545 0.015 -15.237 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -8.762 1.741 -14.473 1.00 0.00 N ATOM 0 H GLN A 74 -6.282 -1.052 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.763 -2.396 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -6.617 -1.299 -13.178 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -8.059 -2.172 -13.658 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.487 -0.355 -12.882 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.112 0.494 -12.205 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.302 2.140 -13.705 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.649 2.263 -15.342 1.00 0.00 H new ATOM 1172 N ARG A 75 -5.585 -3.227 -11.778 1.00 0.00 N ATOM 1173 CA ARG A 75 -4.662 -4.356 -11.787 1.00 0.00 C ATOM 1174 C ARG A 75 -4.452 -4.897 -10.376 1.00 0.00 C ATOM 1175 O ARG A 75 -4.986 -4.357 -9.406 1.00 0.00 O ATOM 1176 CB ARG A 75 -3.320 -3.940 -12.390 1.00 0.00 C ATOM 1177 CG ARG A 75 -2.590 -5.074 -13.093 1.00 0.00 C ATOM 1178 CD ARG A 75 -1.596 -4.547 -14.116 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.992 -5.624 -14.896 1.00 0.00 N ATOM 1180 CZ ARG A 75 -1.554 -6.155 -15.976 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -2.729 -5.711 -16.402 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -0.942 -7.132 -16.632 1.00 0.00 N ATOM 0 H ARG A 75 -5.154 -2.328 -11.993 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.098 -5.145 -12.399 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.486 -3.130 -13.101 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.683 -3.544 -11.599 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.067 -5.683 -12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.313 -5.723 -13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.100 -3.852 -14.787 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.813 -3.986 -13.606 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.088 -5.989 -14.595 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.203 -4.960 -15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.159 -6.120 -17.232 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.039 -7.477 -16.307 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.375 -7.539 -17.461 1.00 0.00 H new ATOM 1196 N THR A 76 -3.671 -5.967 -10.268 1.00 0.00 N ATOM 1197 CA THR A 76 -3.392 -6.583 -8.977 1.00 0.00 C ATOM 1198 C THR A 76 -1.930 -7.002 -8.872 1.00 0.00 C ATOM 1199 O THR A 76 -1.387 -7.630 -9.782 1.00 0.00 O ATOM 1200 CB THR A 76 -4.285 -7.814 -8.736 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.664 -7.427 -8.740 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.944 -8.479 -7.411 1.00 0.00 C ATOM 0 H THR A 76 -3.220 -6.425 -11.060 1.00 0.00 H new ATOM 0 HA THR A 76 -3.608 -5.833 -8.216 1.00 0.00 H new ATOM 0 HB THR A 76 -4.106 -8.528 -9.540 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.226 -8.216 -8.588 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.588 -9.346 -7.263 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.902 -8.798 -7.422 1.00 0.00 H new ATOM 0 HG23 THR A 76 -4.098 -7.770 -6.598 1.00 0.00 H new ATOM 1210 N PHE A 77 -1.297 -6.652 -7.758 1.00 0.00 N ATOM 1211 CA PHE A 77 0.104 -6.992 -7.535 1.00 0.00 C ATOM 1212 C PHE A 77 0.238 -8.063 -6.457 1.00 0.00 C ATOM 1213 O PHE A 77 -0.735 -8.414 -5.789 1.00 0.00 O ATOM 1214 CB PHE A 77 0.896 -5.746 -7.133 1.00 0.00 C ATOM 1215 CG PHE A 77 1.008 -4.727 -8.231 1.00 0.00 C ATOM 1216 CD1 PHE A 77 1.562 -5.066 -9.455 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.559 -3.430 -8.040 1.00 0.00 C ATOM 1218 CE1 PHE A 77 1.667 -4.131 -10.467 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.661 -2.490 -9.048 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.215 -2.841 -10.263 1.00 0.00 C ATOM 0 H PHE A 77 -1.731 -6.133 -6.995 1.00 0.00 H new ATOM 0 HA PHE A 77 0.509 -7.386 -8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.419 -5.285 -6.268 1.00 0.00 H new ATOM 0 HB3 PHE A 77 1.897 -6.046 -6.823 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.916 -6.073 -9.620 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.124 -3.150 -7.092 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.102 -4.408 -11.416 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.308 -1.482 -8.886 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.295 -2.109 -11.053 1.00 0.00 H new ATOM 1230 N VAL A 78 1.452 -8.580 -6.293 1.00 0.00 N ATOM 1231 CA VAL A 78 1.715 -9.611 -5.296 1.00 0.00 C ATOM 1232 C VAL A 78 3.064 -9.390 -4.620 1.00 0.00 C ATOM 1233 O VAL A 78 4.023 -8.949 -5.253 1.00 0.00 O ATOM 1234 CB VAL A 78 1.692 -11.018 -5.923 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.024 -12.074 -4.880 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.340 -11.293 -6.562 1.00 0.00 C ATOM 0 H VAL A 78 2.268 -8.302 -6.838 1.00 0.00 H new ATOM 0 HA VAL A 78 0.922 -9.540 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 78 2.452 -11.062 -6.703 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.003 -13.061 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.018 -11.885 -4.474 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.290 -12.034 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.341 -12.291 -7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.440 -11.230 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.149 -10.555 -7.341 1.00 0.00 H new ATOM 1246 N PHE A 79 3.130 -9.700 -3.329 1.00 0.00 N ATOM 1247 CA PHE A 79 4.362 -9.535 -2.566 1.00 0.00 C ATOM 1248 C PHE A 79 4.557 -10.693 -1.591 1.00 0.00 C ATOM 1249 O PHE A 79 3.621 -11.437 -1.299 1.00 0.00 O ATOM 1250 CB PHE A 79 4.340 -8.209 -1.803 1.00 0.00 C ATOM 1251 CG PHE A 79 4.664 -7.019 -2.659 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.955 -6.809 -3.117 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.679 -6.108 -3.005 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.257 -5.715 -3.906 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.975 -5.013 -3.794 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.266 -4.815 -4.244 1.00 0.00 C ATOM 0 H PHE A 79 2.346 -10.066 -2.790 1.00 0.00 H new ATOM 0 HA PHE A 79 5.197 -9.529 -3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.354 -8.070 -1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.054 -8.260 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.735 -7.509 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.668 -6.255 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.267 -5.564 -4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.197 -4.312 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.500 -3.958 -4.859 1.00 0.00 H new ATOM 1266 N ARG A 80 5.780 -10.838 -1.092 1.00 0.00 N ATOM 1267 CA ARG A 80 6.099 -11.906 -0.152 1.00 0.00 C ATOM 1268 C ARG A 80 7.003 -11.394 0.966 1.00 0.00 C ATOM 1269 O ARG A 80 7.955 -10.654 0.719 1.00 0.00 O ATOM 1270 CB ARG A 80 6.779 -13.068 -0.879 1.00 0.00 C ATOM 1271 CG ARG A 80 7.330 -14.132 0.056 1.00 0.00 C ATOM 1272 CD ARG A 80 8.530 -14.841 -0.553 1.00 0.00 C ATOM 1273 NE ARG A 80 9.232 -15.666 0.426 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.454 -16.151 0.237 1.00 0.00 C ATOM 1275 NH1 ARG A 80 11.106 -15.894 -0.889 1.00 0.00 N ATOM 1276 NH2 ARG A 80 11.028 -16.894 1.175 1.00 0.00 N ATOM 0 H ARG A 80 6.566 -10.230 -1.323 1.00 0.00 H new ATOM 0 HA ARG A 80 5.167 -12.258 0.289 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.063 -13.529 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.592 -12.677 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.618 -13.673 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.551 -14.860 0.280 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.199 -15.465 -1.383 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.218 -14.102 -0.964 1.00 0.00 H new ATOM 0 HE ARG A 80 8.758 -15.882 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.669 -15.323 -1.612 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.044 -16.268 -1.032 1.00 0.00 H new ATOM 0 HH21 ARG A 80 10.531 -17.094 2.043 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.966 -17.266 1.028 1.00 0.00 H new ATOM 1290 N VAL A 81 6.696 -11.791 2.197 1.00 0.00 N ATOM 1291 CA VAL A 81 7.480 -11.373 3.353 1.00 0.00 C ATOM 1292 C VAL A 81 8.525 -12.422 3.717 1.00 0.00 C ATOM 1293 O VAL A 81 8.597 -13.482 3.095 1.00 0.00 O ATOM 1294 CB VAL A 81 6.581 -11.114 4.577 1.00 0.00 C ATOM 1295 CG1 VAL A 81 5.631 -9.958 4.306 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.810 -12.373 4.947 1.00 0.00 C ATOM 0 H VAL A 81 5.910 -12.402 2.419 1.00 0.00 H new ATOM 0 HA VAL A 81 7.981 -10.445 3.077 1.00 0.00 H new ATOM 0 HB VAL A 81 7.215 -10.842 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.004 -9.790 5.181 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.206 -9.057 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.001 -10.198 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.180 -12.172 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.186 -12.677 4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.512 -13.172 5.186 1.00 0.00 H new ATOM 1306 N GLU A 82 9.332 -12.119 4.728 1.00 0.00 N ATOM 1307 CA GLU A 82 10.374 -13.036 5.174 1.00 0.00 C ATOM 1308 C GLU A 82 10.054 -13.591 6.559 1.00 0.00 C ATOM 1309 O GLU A 82 10.604 -14.611 6.975 1.00 0.00 O ATOM 1310 CB GLU A 82 11.731 -12.330 5.197 1.00 0.00 C ATOM 1311 CG GLU A 82 12.914 -13.283 5.178 1.00 0.00 C ATOM 1312 CD GLU A 82 14.207 -12.618 5.611 1.00 0.00 C ATOM 1313 OE1 GLU A 82 14.386 -12.407 6.829 1.00 0.00 O ATOM 1314 OE2 GLU A 82 15.038 -12.308 4.732 1.00 0.00 O ATOM 0 H GLU A 82 9.285 -11.246 5.254 1.00 0.00 H new ATOM 0 HA GLU A 82 10.417 -13.866 4.469 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.799 -11.663 4.337 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.792 -11.707 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.706 -14.127 5.836 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.036 -13.685 4.172 1.00 0.00 H new ATOM 1321 N LYS A 83 9.161 -12.911 7.271 1.00 0.00 N ATOM 1322 CA LYS A 83 8.766 -13.334 8.609 1.00 0.00 C ATOM 1323 C LYS A 83 7.249 -13.297 8.765 1.00 0.00 C ATOM 1324 O LYS A 83 6.554 -12.626 8.003 1.00 0.00 O ATOM 1325 CB LYS A 83 9.419 -12.437 9.663 1.00 0.00 C ATOM 1326 CG LYS A 83 10.827 -12.867 10.039 1.00 0.00 C ATOM 1327 CD LYS A 83 11.620 -11.717 10.637 1.00 0.00 C ATOM 1328 CE LYS A 83 11.140 -11.380 12.040 1.00 0.00 C ATOM 1329 NZ LYS A 83 11.478 -12.453 13.015 1.00 0.00 N ATOM 0 H LYS A 83 8.697 -12.064 6.943 1.00 0.00 H new ATOM 0 HA LYS A 83 9.104 -14.360 8.753 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.448 -11.413 9.289 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.798 -12.432 10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.779 -13.688 10.755 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.341 -13.244 9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.678 -11.979 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.527 -10.838 9.999 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.591 -10.441 12.362 1.00 0.00 H new ATOM 0 HE3 LYS A 83 10.061 -11.227 12.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.370 -12.089 13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.840 -13.262 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.461 -12.759 12.868 1.00 0.00 H new ATOM 1343 N GLU A 84 6.743 -14.022 9.758 1.00 0.00 N ATOM 1344 CA GLU A 84 5.308 -14.071 10.013 1.00 0.00 C ATOM 1345 C GLU A 84 4.782 -12.700 10.426 1.00 0.00 C ATOM 1346 O GLU A 84 3.849 -12.174 9.821 1.00 0.00 O ATOM 1347 CB GLU A 84 4.996 -15.099 11.103 1.00 0.00 C ATOM 1348 CG GLU A 84 3.510 -15.299 11.343 1.00 0.00 C ATOM 1349 CD GLU A 84 2.742 -15.561 10.062 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.489 -14.593 9.314 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.393 -16.732 9.807 1.00 0.00 O ATOM 0 H GLU A 84 7.305 -14.583 10.398 1.00 0.00 H new ATOM 0 HA GLU A 84 4.811 -14.369 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.443 -16.054 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.467 -14.783 12.034 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.366 -16.136 12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.102 -14.414 11.832 1.00 0.00 H new ATOM 1358 N GLU A 85 5.388 -12.127 11.462 1.00 0.00 N ATOM 1359 CA GLU A 85 4.980 -10.818 11.957 1.00 0.00 C ATOM 1360 C GLU A 85 4.978 -9.787 10.831 1.00 0.00 C ATOM 1361 O GLU A 85 4.109 -8.918 10.774 1.00 0.00 O ATOM 1362 CB GLU A 85 5.911 -10.360 13.081 1.00 0.00 C ATOM 1363 CG GLU A 85 7.366 -10.249 12.659 1.00 0.00 C ATOM 1364 CD GLU A 85 8.284 -9.902 13.815 1.00 0.00 C ATOM 1365 OE1 GLU A 85 8.185 -8.771 14.334 1.00 0.00 O ATOM 1366 OE2 GLU A 85 9.102 -10.763 14.202 1.00 0.00 O ATOM 0 H GLU A 85 6.163 -12.549 11.974 1.00 0.00 H new ATOM 0 HA GLU A 85 3.966 -10.906 12.348 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.573 -9.391 13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.835 -11.061 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.685 -11.193 12.217 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.459 -9.487 11.885 1.00 0.00 H new ATOM 1373 N GLU A 86 5.958 -9.891 9.940 1.00 0.00 N ATOM 1374 CA GLU A 86 6.071 -8.967 8.817 1.00 0.00 C ATOM 1375 C GLU A 86 4.767 -8.912 8.026 1.00 0.00 C ATOM 1376 O GLU A 86 4.300 -7.836 7.654 1.00 0.00 O ATOM 1377 CB GLU A 86 7.221 -9.384 7.898 1.00 0.00 C ATOM 1378 CG GLU A 86 8.558 -8.771 8.280 1.00 0.00 C ATOM 1379 CD GLU A 86 8.750 -8.680 9.781 1.00 0.00 C ATOM 1380 OE1 GLU A 86 8.114 -7.807 10.408 1.00 0.00 O ATOM 1381 OE2 GLU A 86 9.535 -9.481 10.329 1.00 0.00 O ATOM 0 H GLU A 86 6.685 -10.605 9.973 1.00 0.00 H new ATOM 0 HA GLU A 86 6.277 -7.974 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.311 -10.470 7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.979 -9.098 6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.363 -9.367 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.633 -7.774 7.847 1.00 0.00 H new ATOM 1388 N ARG A 87 4.186 -10.080 7.772 1.00 0.00 N ATOM 1389 CA ARG A 87 2.938 -10.165 7.023 1.00 0.00 C ATOM 1390 C ARG A 87 1.880 -9.244 7.624 1.00 0.00 C ATOM 1391 O ARG A 87 1.372 -8.346 6.954 1.00 0.00 O ATOM 1392 CB ARG A 87 2.425 -11.607 7.008 1.00 0.00 C ATOM 1393 CG ARG A 87 0.990 -11.738 6.524 1.00 0.00 C ATOM 1394 CD ARG A 87 0.386 -13.074 6.927 1.00 0.00 C ATOM 1395 NE ARG A 87 -1.057 -12.984 7.130 1.00 0.00 N ATOM 1396 CZ ARG A 87 -1.757 -13.865 7.836 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -1.148 -14.896 8.406 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -3.068 -13.714 7.975 1.00 0.00 N ATOM 0 H ARG A 87 4.559 -10.980 8.074 1.00 0.00 H new ATOM 0 HA ARG A 87 3.135 -9.845 6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.072 -12.207 6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.500 -12.021 8.014 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.390 -10.927 6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.960 -11.636 5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.598 -13.815 6.156 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.860 -13.424 7.844 1.00 0.00 H new ATOM 0 HE ARG A 87 -1.555 -12.201 6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.140 -15.014 8.303 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.688 -15.571 8.948 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.539 -12.921 7.540 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.605 -14.391 8.517 1.00 0.00 H new ATOM 1412 N ASN A 88 1.552 -9.475 8.891 1.00 0.00 N ATOM 1413 CA ASN A 88 0.553 -8.667 9.581 1.00 0.00 C ATOM 1414 C ASN A 88 0.964 -7.198 9.605 1.00 0.00 C ATOM 1415 O ASN A 88 0.163 -6.314 9.300 1.00 0.00 O ATOM 1416 CB ASN A 88 0.355 -9.176 11.011 1.00 0.00 C ATOM 1417 CG ASN A 88 0.348 -10.691 11.089 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -0.546 -11.347 10.556 1.00 0.00 O ATOM 1419 ND2 ASN A 88 1.349 -11.253 11.757 1.00 0.00 N ATOM 0 H ASN A 88 1.963 -10.215 9.461 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.388 -8.754 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.150 -8.786 11.646 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.585 -8.790 11.404 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.398 -12.268 11.844 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.069 -10.669 12.183 1.00 0.00 H new ATOM 1426 N ASP A 89 2.216 -6.946 9.969 1.00 0.00 N ATOM 1427 CA ASP A 89 2.735 -5.584 10.031 1.00 0.00 C ATOM 1428 C ASP A 89 2.478 -4.845 8.722 1.00 0.00 C ATOM 1429 O ASP A 89 1.814 -3.808 8.703 1.00 0.00 O ATOM 1430 CB ASP A 89 4.233 -5.600 10.337 1.00 0.00 C ATOM 1431 CG ASP A 89 4.680 -4.371 11.104 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.995 -3.350 10.457 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.716 -4.430 12.351 1.00 0.00 O ATOM 0 H ASP A 89 2.891 -7.667 10.226 1.00 0.00 H new ATOM 0 HA ASP A 89 2.214 -5.059 10.832 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.473 -6.493 10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.791 -5.665 9.403 1.00 0.00 H new ATOM 1438 N TRP A 90 3.008 -5.384 7.630 1.00 0.00 N ATOM 1439 CA TRP A 90 2.837 -4.774 6.316 1.00 0.00 C ATOM 1440 C TRP A 90 1.367 -4.484 6.038 1.00 0.00 C ATOM 1441 O TRP A 90 0.966 -3.327 5.911 1.00 0.00 O ATOM 1442 CB TRP A 90 3.404 -5.688 5.229 1.00 0.00 C ATOM 1443 CG TRP A 90 4.892 -5.582 5.081 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.820 -6.515 5.446 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.622 -4.482 4.528 1.00 0.00 C ATOM 1446 NE1 TRP A 90 7.084 -6.060 5.154 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.989 -4.815 4.590 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.254 -3.247 3.986 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.986 -3.958 4.131 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 6.244 -2.398 3.531 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.597 -2.756 3.605 1.00 0.00 C ATOM 0 H TRP A 90 3.560 -6.242 7.628 1.00 0.00 H new ATOM 0 HA TRP A 90 3.382 -3.830 6.307 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.142 -6.721 5.459 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.933 -5.444 4.277 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.594 -7.470 5.898 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.952 -6.567 5.329 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.214 -2.962 3.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 9.029 -4.232 4.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.971 -1.441 3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.347 -2.070 3.240 1.00 0.00 H new ATOM 1462 N ILE A 91 0.567 -5.541 5.946 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.860 -5.399 5.684 1.00 0.00 C ATOM 1464 C ILE A 91 -1.480 -4.334 6.583 1.00 0.00 C ATOM 1465 O ILE A 91 -2.059 -3.361 6.101 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.606 -6.729 5.893 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.083 -7.791 4.923 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.104 -6.531 5.711 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.755 -9.137 5.079 1.00 0.00 C ATOM 0 H ILE A 91 0.883 -6.505 6.049 1.00 0.00 H new ATOM 0 HA ILE A 91 -0.961 -5.096 4.642 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.425 -7.073 6.911 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.225 -7.439 3.901 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.010 -7.911 5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.618 -7.481 5.862 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.466 -5.803 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.303 -6.167 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.334 -9.839 4.360 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.591 -9.511 6.090 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.825 -9.032 4.900 1.00 0.00 H new ATOM 1481 N SER A 92 -1.353 -4.526 7.892 1.00 0.00 N ATOM 1482 CA SER A 92 -1.902 -3.583 8.859 1.00 0.00 C ATOM 1483 C SER A 92 -1.582 -2.146 8.460 1.00 0.00 C ATOM 1484 O SER A 92 -2.464 -1.288 8.426 1.00 0.00 O ATOM 1485 CB SER A 92 -1.349 -3.872 10.256 1.00 0.00 C ATOM 1486 OG SER A 92 -1.773 -2.891 11.186 1.00 0.00 O ATOM 0 H SER A 92 -0.875 -5.326 8.307 1.00 0.00 H new ATOM 0 HA SER A 92 -2.985 -3.705 8.872 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.681 -4.857 10.585 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.260 -3.898 10.221 1.00 0.00 H new ATOM 0 HG SER A 92 -1.407 -3.100 12.071 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.313 -1.892 8.159 1.00 0.00 N ATOM 1493 CA ILE A 93 0.125 -0.560 7.761 1.00 0.00 C ATOM 1494 C ILE A 93 -0.672 -0.053 6.564 1.00 0.00 C ATOM 1495 O ILE A 93 -1.218 1.050 6.589 1.00 0.00 O ATOM 1496 CB ILE A 93 1.625 -0.542 7.409 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.465 -0.852 8.650 1.00 0.00 C ATOM 1498 CG2 ILE A 93 2.015 0.807 6.823 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.892 -1.242 8.331 1.00 0.00 C ATOM 0 H ILE A 93 0.430 -2.591 8.183 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.048 0.096 8.614 1.00 0.00 H new ATOM 0 HB ILE A 93 1.817 -1.311 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.473 0.022 9.301 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.992 -1.661 9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.077 0.804 6.579 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.436 0.992 5.918 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.812 1.592 7.551 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.429 -1.448 9.257 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.894 -2.134 7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.383 -0.426 7.801 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.737 -0.868 5.516 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.470 -0.504 4.309 1.00 0.00 C ATOM 1513 C LEU A 94 -2.930 -0.199 4.629 1.00 0.00 C ATOM 1514 O LEU A 94 -3.435 0.877 4.307 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.387 -1.632 3.279 1.00 0.00 C ATOM 1516 CG LEU A 94 0.017 -2.145 2.957 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.054 -3.504 2.277 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.762 -1.147 2.082 1.00 0.00 C ATOM 0 H LEU A 94 -0.291 -1.785 5.478 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.013 0.394 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.985 -2.470 3.638 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.847 -1.286 2.353 1.00 0.00 H new ATOM 0 HG LEU A 94 0.565 -2.258 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.955 -3.853 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.548 -4.216 2.938 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.620 -3.418 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.759 -1.529 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.216 -1.002 1.150 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.845 -0.195 2.606 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.602 -1.152 5.265 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.004 -0.985 5.632 1.00 0.00 C ATOM 1532 C LEU A 95 -5.205 0.287 6.449 1.00 0.00 C ATOM 1533 O LEU A 95 -6.102 1.082 6.169 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.492 -2.197 6.426 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.328 -3.556 5.744 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -5.756 -4.677 6.679 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.128 -3.604 4.450 1.00 0.00 C ATOM 0 H LEU A 95 -3.199 -2.048 5.537 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.586 -0.901 4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.958 -2.223 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.548 -2.054 6.657 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.274 -3.694 5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.633 -5.637 6.177 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.140 -4.656 7.578 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.802 -4.543 6.953 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.999 -4.578 3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.184 -3.443 4.669 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.775 -2.825 3.775 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.363 0.474 7.460 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.448 1.651 8.318 1.00 0.00 C ATOM 1551 C ASN A 96 -4.477 2.929 7.486 1.00 0.00 C ATOM 1552 O ASN A 96 -5.266 3.836 7.751 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.264 1.687 9.287 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.587 2.436 10.565 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -3.945 3.614 10.534 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -3.460 1.755 11.698 1.00 0.00 N ATOM 0 H ASN A 96 -3.614 -0.174 7.705 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.375 1.589 8.888 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.967 0.667 9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.412 2.159 8.798 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.662 2.207 12.590 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -3.160 0.780 11.676 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.614 2.993 6.478 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.543 4.158 5.605 1.00 0.00 C ATOM 1565 C ALA A 97 -4.868 4.388 4.887 1.00 0.00 C ATOM 1566 O ALA A 97 -5.418 5.490 4.914 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.415 3.995 4.597 1.00 0.00 C ATOM 0 H ALA A 97 -2.954 2.251 6.245 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.339 5.032 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.374 4.873 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.468 3.888 5.125 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.594 3.107 3.991 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.376 3.342 4.244 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.638 3.430 3.518 1.00 0.00 C ATOM 1575 C LEU A 98 -7.730 4.035 4.393 1.00 0.00 C ATOM 1576 O LEU A 98 -8.539 4.840 3.930 1.00 0.00 O ATOM 1577 CB LEU A 98 -7.067 2.044 3.033 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.193 1.411 1.950 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.331 -0.103 1.969 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -6.556 1.965 0.580 1.00 0.00 C ATOM 0 H LEU A 98 -4.933 2.424 4.211 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.488 4.080 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.091 1.372 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.087 2.113 2.654 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.153 1.662 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.702 -0.536 1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.020 -0.485 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.371 -0.376 1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -5.924 1.503 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.601 1.745 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.403 3.044 0.572 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.747 3.645 5.664 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.737 4.151 6.607 1.00 0.00 C ATOM 1594 C LYS A 99 -8.583 5.656 6.802 1.00 0.00 C ATOM 1595 O LYS A 99 -9.568 6.395 6.810 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.602 3.435 7.953 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.790 1.931 7.863 1.00 0.00 C ATOM 1598 CD LYS A 99 -9.368 1.363 9.148 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.271 0.961 10.123 1.00 0.00 C ATOM 1600 NZ LYS A 99 -7.649 2.145 10.777 1.00 0.00 N ATOM 0 H LYS A 99 -7.086 2.980 6.064 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.727 3.955 6.196 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.617 3.645 8.370 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.336 3.844 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.452 1.696 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.832 1.456 7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -10.017 2.104 9.615 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.987 0.496 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.686 0.302 10.885 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.505 0.394 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.183 1.850 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.945 2.565 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.384 2.849 10.992 1.00 0.00 H new ATOM 1614 N SER A 100 -7.341 6.104 6.958 1.00 0.00 N ATOM 1615 CA SER A 100 -7.059 7.521 7.155 1.00 0.00 C ATOM 1616 C SER A 100 -7.504 8.337 5.946 1.00 0.00 C ATOM 1617 O SER A 100 -8.340 9.233 6.063 1.00 0.00 O ATOM 1618 CB SER A 100 -5.565 7.735 7.406 1.00 0.00 C ATOM 1619 OG SER A 100 -5.340 8.899 8.182 1.00 0.00 O ATOM 0 H SER A 100 -6.515 5.506 6.952 1.00 0.00 H new ATOM 0 HA SER A 100 -7.619 7.860 8.026 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.151 6.867 7.919 1.00 0.00 H new ATOM 0 HB3 SER A 100 -5.042 7.822 6.454 1.00 0.00 H new ATOM 0 HG SER A 100 -4.378 9.013 8.330 1.00 0.00 H new