USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 795 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 Single : A 1 GLY N :NH3+ -120:sc= 0.0894 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 0.35 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= -0.817 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc= -0.199 (180deg=-0.281) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= 1.21 (180deg=0.733) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -0.0591 (180deg=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.578 K(o=-0.58,f=-0.037) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -62:sc= -0.586 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -5.52! C(o=-5.5!,f=-10!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 42:sc= -0.06 USER MOD Single : A 79 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.7!) USER MOD Single : A 80 THR OG1 : rot -120:sc= -2.31 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 153:sc= -0.112 (180deg=-0.664) USER MOD Single : A 98 HIS : no HD1:sc= -2.09 K(o=-2.1,f=-2.8) USER MOD Single : A 102 CYS SG : rot -81:sc= 0.0252 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 44:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.697 -19.436 -13.064 1.00 0.00 N ATOM 2 CA GLY A 1 -8.851 -19.448 -11.621 1.00 0.00 C ATOM 3 C GLY A 1 -7.543 -19.706 -10.900 1.00 0.00 C ATOM 4 O GLY A 1 -6.509 -19.920 -11.533 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.988 -18.509 -13.436 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.701 -19.611 -13.308 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.292 -20.179 -13.483 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.260 -18.492 -11.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.573 -20.215 -11.342 1.00 0.00 H new ATOM 8 N SER A 2 -7.587 -19.685 -9.572 1.00 0.00 N ATOM 9 CA SER A 2 -6.395 -19.913 -8.764 1.00 0.00 C ATOM 10 C SER A 2 -6.761 -20.527 -7.416 1.00 0.00 C ATOM 11 O SER A 2 -7.884 -20.375 -6.937 1.00 0.00 O ATOM 12 CB SER A 2 -5.639 -18.600 -8.550 1.00 0.00 C ATOM 13 OG SER A 2 -4.860 -18.269 -9.687 1.00 0.00 O ATOM 0 H SER A 2 -8.435 -19.512 -9.033 1.00 0.00 H new ATOM 0 HA SER A 2 -5.752 -20.612 -9.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.348 -17.798 -8.345 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.994 -18.687 -7.676 1.00 0.00 H new ATOM 0 HG SER A 2 -5.205 -18.746 -10.470 1.00 0.00 H new ATOM 19 N SER A 3 -5.804 -21.222 -6.810 1.00 0.00 N ATOM 20 CA SER A 3 -6.025 -21.864 -5.520 1.00 0.00 C ATOM 21 C SER A 3 -6.325 -20.826 -4.442 1.00 0.00 C ATOM 22 O SER A 3 -5.505 -19.953 -4.161 1.00 0.00 O ATOM 23 CB SER A 3 -4.802 -22.691 -5.121 1.00 0.00 C ATOM 24 OG SER A 3 -5.112 -23.586 -4.067 1.00 0.00 O ATOM 0 H SER A 3 -4.868 -21.355 -7.192 1.00 0.00 H new ATOM 0 HA SER A 3 -6.886 -22.526 -5.614 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.441 -23.251 -5.983 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.995 -22.027 -4.812 1.00 0.00 H new ATOM 0 HG SER A 3 -4.314 -24.104 -3.832 1.00 0.00 H new ATOM 30 N GLY A 4 -7.506 -20.930 -3.842 1.00 0.00 N ATOM 31 CA GLY A 4 -7.895 -19.995 -2.802 1.00 0.00 C ATOM 32 C GLY A 4 -9.289 -19.439 -3.013 1.00 0.00 C ATOM 33 O GLY A 4 -9.582 -18.862 -4.060 1.00 0.00 O ATOM 0 H GLY A 4 -8.201 -21.645 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.849 -20.494 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.180 -19.173 -2.771 1.00 0.00 H new ATOM 37 N SER A 5 -10.152 -19.614 -2.017 1.00 0.00 N ATOM 38 CA SER A 5 -11.524 -19.130 -2.101 1.00 0.00 C ATOM 39 C SER A 5 -11.557 -17.652 -2.478 1.00 0.00 C ATOM 40 O SER A 5 -10.580 -16.929 -2.287 1.00 0.00 O ATOM 41 CB SER A 5 -12.245 -19.344 -0.769 1.00 0.00 C ATOM 42 OG SER A 5 -13.602 -18.944 -0.853 1.00 0.00 O ATOM 0 H SER A 5 -9.925 -20.088 -1.143 1.00 0.00 H new ATOM 0 HA SER A 5 -12.036 -19.697 -2.879 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.189 -20.395 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.743 -18.777 0.015 1.00 0.00 H new ATOM 0 HG SER A 5 -14.041 -19.093 0.011 1.00 0.00 H new ATOM 48 N SER A 6 -12.690 -17.210 -3.016 1.00 0.00 N ATOM 49 CA SER A 6 -12.850 -15.820 -3.425 1.00 0.00 C ATOM 50 C SER A 6 -13.031 -14.914 -2.210 1.00 0.00 C ATOM 51 O SER A 6 -13.860 -15.181 -1.341 1.00 0.00 O ATOM 52 CB SER A 6 -14.049 -15.677 -4.365 1.00 0.00 C ATOM 53 OG SER A 6 -14.120 -14.370 -4.906 1.00 0.00 O ATOM 0 H SER A 6 -13.510 -17.795 -3.178 1.00 0.00 H new ATOM 0 HA SER A 6 -11.946 -15.516 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.970 -16.404 -5.173 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.968 -15.900 -3.823 1.00 0.00 H new ATOM 0 HG SER A 6 -14.893 -14.305 -5.504 1.00 0.00 H new ATOM 59 N GLY A 7 -12.248 -13.841 -2.158 1.00 0.00 N ATOM 60 CA GLY A 7 -12.336 -12.912 -1.047 1.00 0.00 C ATOM 61 C GLY A 7 -11.870 -11.518 -1.418 1.00 0.00 C ATOM 62 O GLY A 7 -10.742 -11.336 -1.876 1.00 0.00 O ATOM 0 H GLY A 7 -11.554 -13.599 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.367 -12.866 -0.697 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.734 -13.284 -0.218 1.00 0.00 H new ATOM 66 N GLU A 8 -12.740 -10.532 -1.222 1.00 0.00 N ATOM 67 CA GLU A 8 -12.411 -9.148 -1.542 1.00 0.00 C ATOM 68 C GLU A 8 -11.659 -8.487 -0.390 1.00 0.00 C ATOM 69 O GLU A 8 -11.978 -8.705 0.780 1.00 0.00 O ATOM 70 CB GLU A 8 -13.682 -8.358 -1.857 1.00 0.00 C ATOM 71 CG GLU A 8 -14.187 -8.555 -3.276 1.00 0.00 C ATOM 72 CD GLU A 8 -15.310 -7.602 -3.634 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.119 -7.277 -2.740 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.382 -7.183 -4.808 1.00 0.00 O ATOM 0 H GLU A 8 -13.678 -10.666 -0.843 1.00 0.00 H new ATOM 0 HA GLU A 8 -11.766 -9.149 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.465 -8.652 -1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.490 -7.298 -1.693 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.361 -8.416 -3.974 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.535 -9.581 -3.394 1.00 0.00 H new ATOM 81 N LEU A 9 -10.660 -7.680 -0.729 1.00 0.00 N ATOM 82 CA LEU A 9 -9.862 -6.987 0.276 1.00 0.00 C ATOM 83 C LEU A 9 -10.516 -5.668 0.676 1.00 0.00 C ATOM 84 O LEU A 9 -10.853 -4.847 -0.177 1.00 0.00 O ATOM 85 CB LEU A 9 -8.450 -6.729 -0.254 1.00 0.00 C ATOM 86 CG LEU A 9 -7.341 -6.663 0.795 1.00 0.00 C ATOM 87 CD1 LEU A 9 -5.974 -6.703 0.130 1.00 0.00 C ATOM 88 CD2 LEU A 9 -7.485 -5.410 1.647 1.00 0.00 C ATOM 0 H LEU A 9 -10.383 -7.489 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.801 -7.624 1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.202 -7.515 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.457 -5.789 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.432 -7.533 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.197 -6.655 0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.871 -7.629 -0.435 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.873 -5.853 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.686 -5.380 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.422 -4.528 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.450 -5.423 2.154 1.00 0.00 H new ATOM 100 N ALA A 10 -10.690 -5.472 1.979 1.00 0.00 N ATOM 101 CA ALA A 10 -11.299 -4.251 2.492 1.00 0.00 C ATOM 102 C ALA A 10 -10.253 -3.339 3.124 1.00 0.00 C ATOM 103 O ALA A 10 -10.268 -2.125 2.919 1.00 0.00 O ATOM 104 CB ALA A 10 -12.387 -4.588 3.501 1.00 0.00 C ATOM 0 H ALA A 10 -10.418 -6.143 2.698 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.748 -3.718 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.833 -3.667 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -13.155 -5.194 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -11.953 -5.145 4.331 1.00 0.00 H new ATOM 110 N LEU A 11 -9.347 -3.931 3.894 1.00 0.00 N ATOM 111 CA LEU A 11 -8.292 -3.172 4.557 1.00 0.00 C ATOM 112 C LEU A 11 -7.796 -2.037 3.667 1.00 0.00 C ATOM 113 O LEU A 11 -7.353 -0.999 4.157 1.00 0.00 O ATOM 114 CB LEU A 11 -7.128 -4.093 4.926 1.00 0.00 C ATOM 115 CG LEU A 11 -7.210 -4.762 6.298 1.00 0.00 C ATOM 116 CD1 LEU A 11 -6.340 -6.008 6.337 1.00 0.00 C ATOM 117 CD2 LEU A 11 -6.797 -3.787 7.392 1.00 0.00 C ATOM 0 H LEU A 11 -9.322 -4.935 4.075 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.707 -2.740 5.467 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.053 -4.873 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.205 -3.515 4.881 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.244 -5.060 6.475 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.411 -6.471 7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.681 -6.713 5.579 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.304 -5.735 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.861 -4.280 8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.772 -3.459 7.219 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.462 -2.923 7.379 1.00 0.00 H new ATOM 129 N TRP A 12 -7.876 -2.242 2.357 1.00 0.00 N ATOM 130 CA TRP A 12 -7.437 -1.234 1.398 1.00 0.00 C ATOM 131 C TRP A 12 -8.496 -1.005 0.326 1.00 0.00 C ATOM 132 O TRP A 12 -9.539 -1.660 0.320 1.00 0.00 O ATOM 133 CB TRP A 12 -6.119 -1.660 0.748 1.00 0.00 C ATOM 134 CG TRP A 12 -4.986 -1.772 1.721 1.00 0.00 C ATOM 135 CD1 TRP A 12 -4.398 -0.753 2.415 1.00 0.00 C ATOM 136 CD2 TRP A 12 -4.302 -2.969 2.107 1.00 0.00 C ATOM 137 NE1 TRP A 12 -3.390 -1.245 3.209 1.00 0.00 N ATOM 138 CE2 TRP A 12 -3.312 -2.602 3.039 1.00 0.00 C ATOM 139 CE3 TRP A 12 -4.432 -4.316 1.758 1.00 0.00 C ATOM 140 CZ2 TRP A 12 -2.457 -3.533 3.623 1.00 0.00 C ATOM 141 CZ3 TRP A 12 -3.583 -5.239 2.338 1.00 0.00 C ATOM 142 CH2 TRP A 12 -2.606 -4.845 3.262 1.00 0.00 C ATOM 0 H TRP A 12 -8.240 -3.096 1.935 1.00 0.00 H new ATOM 0 HA TRP A 12 -7.284 -0.298 1.936 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -6.260 -2.621 0.253 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -5.854 -0.939 -0.026 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -4.683 0.287 2.349 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.796 -0.690 3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.183 -4.630 1.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -1.703 -3.231 4.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -3.674 -6.282 2.075 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -1.958 -5.591 3.698 1.00 0.00 H new ATOM 153 N SER A 13 -8.223 -0.072 -0.580 1.00 0.00 N ATOM 154 CA SER A 13 -9.156 0.246 -1.656 1.00 0.00 C ATOM 155 C SER A 13 -8.567 -0.127 -3.013 1.00 0.00 C ATOM 156 O SER A 13 -7.370 0.017 -3.260 1.00 0.00 O ATOM 157 CB SER A 13 -9.507 1.735 -1.632 1.00 0.00 C ATOM 158 OG SER A 13 -10.815 1.958 -2.127 1.00 0.00 O ATOM 0 H SER A 13 -7.364 0.477 -0.591 1.00 0.00 H new ATOM 0 HA SER A 13 -10.064 -0.337 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.431 2.113 -0.613 1.00 0.00 H new ATOM 0 HB3 SER A 13 -8.788 2.291 -2.233 1.00 0.00 H new ATOM 0 HG SER A 13 -11.016 2.917 -2.100 1.00 0.00 H new ATOM 164 N PRO A 14 -9.429 -0.620 -3.915 1.00 0.00 N ATOM 165 CA PRO A 14 -9.018 -1.024 -5.263 1.00 0.00 C ATOM 166 C PRO A 14 -8.635 0.167 -6.134 1.00 0.00 C ATOM 167 O PRO A 14 -8.311 0.008 -7.310 1.00 0.00 O ATOM 168 CB PRO A 14 -10.265 -1.716 -5.821 1.00 0.00 C ATOM 169 CG PRO A 14 -11.400 -1.119 -5.064 1.00 0.00 C ATOM 170 CD PRO A 14 -10.870 -0.820 -3.689 1.00 0.00 C ATOM 0 HA PRO A 14 -8.132 -1.659 -5.246 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -10.368 -1.542 -6.892 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.217 -2.795 -5.677 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -11.758 -0.211 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.243 -1.809 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -11.337 0.068 -3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.058 -1.642 -2.998 1.00 0.00 H new ATOM 178 N GLU A 15 -8.676 1.360 -5.549 1.00 0.00 N ATOM 179 CA GLU A 15 -8.333 2.578 -6.273 1.00 0.00 C ATOM 180 C GLU A 15 -6.961 3.095 -5.850 1.00 0.00 C ATOM 181 O GLU A 15 -6.788 3.587 -4.734 1.00 0.00 O ATOM 182 CB GLU A 15 -9.393 3.655 -6.035 1.00 0.00 C ATOM 183 CG GLU A 15 -9.330 4.274 -4.648 1.00 0.00 C ATOM 184 CD GLU A 15 -10.632 4.941 -4.248 1.00 0.00 C ATOM 185 OE1 GLU A 15 -11.673 4.624 -4.860 1.00 0.00 O ATOM 186 OE2 GLU A 15 -10.609 5.780 -3.323 1.00 0.00 O ATOM 0 H GLU A 15 -8.943 1.509 -4.576 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.300 2.341 -7.336 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.274 4.441 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.381 3.220 -6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.083 3.501 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.525 5.009 -4.618 1.00 0.00 H new ATOM 193 N VAL A 16 -5.988 2.980 -6.748 1.00 0.00 N ATOM 194 CA VAL A 16 -4.632 3.436 -6.469 1.00 0.00 C ATOM 195 C VAL A 16 -4.471 4.916 -6.798 1.00 0.00 C ATOM 196 O VAL A 16 -5.011 5.405 -7.790 1.00 0.00 O ATOM 197 CB VAL A 16 -3.592 2.628 -7.268 1.00 0.00 C ATOM 198 CG1 VAL A 16 -3.939 2.629 -8.749 1.00 0.00 C ATOM 199 CG2 VAL A 16 -2.195 3.184 -7.038 1.00 0.00 C ATOM 0 H VAL A 16 -6.114 2.575 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.460 3.283 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.610 1.596 -6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.193 2.054 -9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.922 2.180 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.951 3.654 -9.119 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.473 2.601 -7.610 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.160 4.224 -7.361 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.950 3.125 -5.977 1.00 0.00 H new ATOM 209 N LYS A 17 -3.724 5.625 -5.959 1.00 0.00 N ATOM 210 CA LYS A 17 -3.489 7.050 -6.161 1.00 0.00 C ATOM 211 C LYS A 17 -2.003 7.334 -6.356 1.00 0.00 C ATOM 212 O LYS A 17 -1.169 6.906 -5.557 1.00 0.00 O ATOM 213 CB LYS A 17 -4.019 7.849 -4.968 1.00 0.00 C ATOM 214 CG LYS A 17 -3.559 7.313 -3.624 1.00 0.00 C ATOM 215 CD LYS A 17 -3.588 8.391 -2.554 1.00 0.00 C ATOM 216 CE LYS A 17 -3.604 7.790 -1.157 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.933 7.208 -0.818 1.00 0.00 N ATOM 0 H LYS A 17 -3.271 5.236 -5.132 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.021 7.357 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.698 8.886 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.109 7.848 -4.996 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.199 6.484 -3.324 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.547 6.918 -3.716 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.717 9.037 -2.663 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.469 9.018 -2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.840 7.016 -1.086 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.348 8.559 -0.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.975 7.010 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.682 7.883 -1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.070 6.324 -1.348 1.00 0.00 H new ATOM 231 N ILE A 18 -1.679 8.060 -7.421 1.00 0.00 N ATOM 232 CA ILE A 18 -0.294 8.403 -7.718 1.00 0.00 C ATOM 233 C ILE A 18 0.120 9.686 -7.005 1.00 0.00 C ATOM 234 O ILE A 18 -0.454 10.750 -7.236 1.00 0.00 O ATOM 235 CB ILE A 18 -0.069 8.575 -9.232 1.00 0.00 C ATOM 236 CG1 ILE A 18 -0.441 7.290 -9.974 1.00 0.00 C ATOM 237 CG2 ILE A 18 1.377 8.956 -9.513 1.00 0.00 C ATOM 238 CD1 ILE A 18 0.412 6.101 -9.589 1.00 0.00 C ATOM 0 H ILE A 18 -2.357 8.422 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 18 0.320 7.577 -7.359 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.712 9.379 -9.591 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.487 7.056 -9.776 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -0.350 7.460 -11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.520 9.074 -10.587 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.610 9.895 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.038 8.173 -9.143 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.092 5.225 -10.154 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.457 6.315 -9.813 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.302 5.905 -8.522 1.00 0.00 H new ATOM 250 N VAL A 19 1.122 9.578 -6.138 1.00 0.00 N ATOM 251 CA VAL A 19 1.616 10.730 -5.393 1.00 0.00 C ATOM 252 C VAL A 19 2.953 11.210 -5.947 1.00 0.00 C ATOM 253 O VAL A 19 3.882 10.423 -6.121 1.00 0.00 O ATOM 254 CB VAL A 19 1.781 10.402 -3.897 1.00 0.00 C ATOM 255 CG1 VAL A 19 2.344 11.599 -3.147 1.00 0.00 C ATOM 256 CG2 VAL A 19 0.452 9.964 -3.299 1.00 0.00 C ATOM 0 H VAL A 19 1.607 8.704 -5.934 1.00 0.00 H new ATOM 0 HA VAL A 19 0.874 11.521 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 19 2.487 9.578 -3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.454 11.349 -2.092 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.318 11.862 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.665 12.445 -3.250 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.586 9.736 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.278 10.766 -3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.094 9.075 -3.819 1.00 0.00 H new ATOM 266 N GLU A 20 3.041 12.508 -6.221 1.00 0.00 N ATOM 267 CA GLU A 20 4.265 13.094 -6.755 1.00 0.00 C ATOM 268 C GLU A 20 5.228 13.463 -5.630 1.00 0.00 C ATOM 269 O GLU A 20 5.021 14.448 -4.920 1.00 0.00 O ATOM 270 CB GLU A 20 3.941 14.333 -7.592 1.00 0.00 C ATOM 271 CG GLU A 20 3.606 14.019 -9.040 1.00 0.00 C ATOM 272 CD GLU A 20 2.134 13.715 -9.246 1.00 0.00 C ATOM 273 OE1 GLU A 20 1.657 12.697 -8.702 1.00 0.00 O ATOM 274 OE2 GLU A 20 1.461 14.495 -9.951 1.00 0.00 O ATOM 0 H GLU A 20 2.280 13.173 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 20 4.746 12.351 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.100 14.857 -7.139 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.793 15.013 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.890 14.865 -9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.199 13.166 -9.369 1.00 0.00 H new ATOM 281 N LEU A 21 6.279 12.667 -5.474 1.00 0.00 N ATOM 282 CA LEU A 21 7.275 12.909 -4.436 1.00 0.00 C ATOM 283 C LEU A 21 8.606 13.337 -5.046 1.00 0.00 C ATOM 284 O LEU A 21 9.153 12.652 -5.910 1.00 0.00 O ATOM 285 CB LEU A 21 7.470 11.652 -3.586 1.00 0.00 C ATOM 286 CG LEU A 21 6.406 11.389 -2.520 1.00 0.00 C ATOM 287 CD1 LEU A 21 6.913 10.386 -1.496 1.00 0.00 C ATOM 288 CD2 LEU A 21 5.999 12.689 -1.841 1.00 0.00 C ATOM 0 H LEU A 21 6.464 11.848 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 21 6.912 13.717 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.509 10.790 -4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.440 11.718 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 21 5.527 10.966 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.142 10.211 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.153 9.447 -1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.807 10.780 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.241 12.483 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.871 13.140 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.593 13.376 -2.584 1.00 0.00 H new ATOM 300 N VAL A 22 9.123 14.473 -4.589 1.00 0.00 N ATOM 301 CA VAL A 22 10.391 14.990 -5.087 1.00 0.00 C ATOM 302 C VAL A 22 11.558 14.496 -4.239 1.00 0.00 C ATOM 303 O VAL A 22 11.792 14.991 -3.136 1.00 0.00 O ATOM 304 CB VAL A 22 10.401 16.530 -5.106 1.00 0.00 C ATOM 305 CG1 VAL A 22 11.774 17.051 -5.503 1.00 0.00 C ATOM 306 CG2 VAL A 22 9.329 17.058 -6.047 1.00 0.00 C ATOM 0 H VAL A 22 8.683 15.053 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 22 10.504 14.620 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 22 10.179 16.889 -4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.761 18.141 -5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.517 16.702 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.029 16.684 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.350 18.148 -6.048 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.517 16.690 -7.056 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.350 16.715 -5.713 1.00 0.00 H new ATOM 316 N LYS A 23 12.288 13.516 -4.760 1.00 0.00 N ATOM 317 CA LYS A 23 13.432 12.954 -4.052 1.00 0.00 C ATOM 318 C LYS A 23 14.592 13.944 -4.020 1.00 0.00 C ATOM 319 O LYS A 23 14.681 14.838 -4.862 1.00 0.00 O ATOM 320 CB LYS A 23 13.879 11.650 -4.718 1.00 0.00 C ATOM 321 CG LYS A 23 15.177 11.095 -4.157 1.00 0.00 C ATOM 322 CD LYS A 23 15.373 9.639 -4.542 1.00 0.00 C ATOM 323 CE LYS A 23 16.839 9.236 -4.474 1.00 0.00 C ATOM 324 NZ LYS A 23 17.003 7.788 -4.168 1.00 0.00 N ATOM 0 H LYS A 23 12.108 13.094 -5.671 1.00 0.00 H new ATOM 0 HA LYS A 23 13.127 12.746 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.093 10.904 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.999 11.821 -5.788 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.016 11.686 -4.525 1.00 0.00 H new ATOM 0 HG3 LYS A 23 15.174 11.188 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.789 9.004 -3.876 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.996 9.475 -5.551 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.322 9.463 -5.424 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.343 9.828 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.929 7.630 -3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.250 7.483 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.945 7.238 -5.049 1.00 0.00 H new ATOM 338 N ASP A 24 15.478 13.779 -3.045 1.00 0.00 N ATOM 339 CA ASP A 24 16.634 14.657 -2.905 1.00 0.00 C ATOM 340 C ASP A 24 17.926 13.849 -2.839 1.00 0.00 C ATOM 341 O ASP A 24 17.913 12.626 -2.985 1.00 0.00 O ATOM 342 CB ASP A 24 16.495 15.522 -1.651 1.00 0.00 C ATOM 343 CG ASP A 24 15.316 16.472 -1.731 1.00 0.00 C ATOM 344 OD1 ASP A 24 15.482 17.578 -2.284 1.00 0.00 O ATOM 345 OD2 ASP A 24 14.226 16.108 -1.239 1.00 0.00 O ATOM 0 H ASP A 24 15.418 13.045 -2.339 1.00 0.00 H new ATOM 0 HA ASP A 24 16.676 15.304 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.380 14.878 -0.779 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.411 16.095 -1.505 1.00 0.00 H new ATOM 350 N CYS A 25 19.039 14.539 -2.620 1.00 0.00 N ATOM 351 CA CYS A 25 20.341 13.886 -2.537 1.00 0.00 C ATOM 352 C CYS A 25 20.284 12.678 -1.607 1.00 0.00 C ATOM 353 O CYS A 25 20.696 11.578 -1.975 1.00 0.00 O ATOM 354 CB CYS A 25 21.400 14.873 -2.047 1.00 0.00 C ATOM 355 SG CYS A 25 23.101 14.299 -2.262 1.00 0.00 S ATOM 0 H CYS A 25 19.067 15.551 -2.497 1.00 0.00 H new ATOM 0 HA CYS A 25 20.612 13.541 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 25 21.276 15.816 -2.580 1.00 0.00 H new ATOM 0 HB3 CYS A 25 21.228 15.079 -0.990 1.00 0.00 H new ATOM 0 HG CYS A 25 23.923 15.203 -1.820 1.00 0.00 H new ATOM 361 N LYS A 26 19.773 12.891 -0.400 1.00 0.00 N ATOM 362 CA LYS A 26 19.663 11.822 0.585 1.00 0.00 C ATOM 363 C LYS A 26 18.670 10.759 0.125 1.00 0.00 C ATOM 364 O LYS A 26 18.942 9.562 0.210 1.00 0.00 O ATOM 365 CB LYS A 26 19.228 12.389 1.938 1.00 0.00 C ATOM 366 CG LYS A 26 17.869 13.067 1.906 1.00 0.00 C ATOM 367 CD LYS A 26 17.698 14.028 3.070 1.00 0.00 C ATOM 368 CE LYS A 26 17.407 13.286 4.366 1.00 0.00 C ATOM 369 NZ LYS A 26 18.656 12.825 5.033 1.00 0.00 N ATOM 0 H LYS A 26 19.428 13.796 -0.080 1.00 0.00 H new ATOM 0 HA LYS A 26 20.643 11.358 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.205 11.582 2.670 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.975 13.107 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.753 13.608 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.084 12.312 1.938 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.602 14.625 3.186 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.884 14.721 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.854 13.938 5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.768 12.428 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.671 11.785 5.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.481 13.169 4.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.689 13.198 6.003 1.00 0.00 H new ATOM 383 N GLY A 27 17.517 11.205 -0.365 1.00 0.00 N ATOM 384 CA GLY A 27 16.502 10.280 -0.833 1.00 0.00 C ATOM 385 C GLY A 27 15.110 10.665 -0.373 1.00 0.00 C ATOM 386 O GLY A 27 14.767 11.847 -0.330 1.00 0.00 O ATOM 0 H GLY A 27 17.268 12.191 -0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.524 10.242 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.735 9.277 -0.474 1.00 0.00 H new ATOM 390 N LEU A 28 14.304 9.666 -0.030 1.00 0.00 N ATOM 391 CA LEU A 28 12.940 9.906 0.427 1.00 0.00 C ATOM 392 C LEU A 28 12.915 10.237 1.916 1.00 0.00 C ATOM 393 O LEU A 28 13.960 10.352 2.554 1.00 0.00 O ATOM 394 CB LEU A 28 12.065 8.682 0.151 1.00 0.00 C ATOM 395 CG LEU A 28 11.638 8.477 -1.303 1.00 0.00 C ATOM 396 CD1 LEU A 28 11.145 9.784 -1.904 1.00 0.00 C ATOM 397 CD2 LEU A 28 12.788 7.911 -2.123 1.00 0.00 C ATOM 0 H LEU A 28 14.572 8.682 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 28 12.544 10.759 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.604 7.793 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.168 8.756 0.765 1.00 0.00 H new ATOM 0 HG LEU A 28 10.818 7.760 -1.322 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.846 9.618 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 28 10.291 10.148 -1.333 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.945 10.524 -1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 28 12.465 7.772 -3.155 1.00 0.00 H new ATOM 0 HD22 LEU A 28 13.629 8.603 -2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 28 13.094 6.952 -1.706 1.00 0.00 H new ATOM 409 N GLY A 29 11.713 10.388 2.464 1.00 0.00 N ATOM 410 CA GLY A 29 11.574 10.702 3.874 1.00 0.00 C ATOM 411 C GLY A 29 10.537 9.836 4.561 1.00 0.00 C ATOM 412 O GLY A 29 9.870 10.278 5.497 1.00 0.00 O ATOM 0 H GLY A 29 10.833 10.298 1.956 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.537 10.572 4.369 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.298 11.751 3.984 1.00 0.00 H new ATOM 416 N PHE A 30 10.400 8.599 4.097 1.00 0.00 N ATOM 417 CA PHE A 30 9.436 7.669 4.672 1.00 0.00 C ATOM 418 C PHE A 30 10.023 6.263 4.764 1.00 0.00 C ATOM 419 O PHE A 30 11.018 5.951 4.110 1.00 0.00 O ATOM 420 CB PHE A 30 8.156 7.645 3.834 1.00 0.00 C ATOM 421 CG PHE A 30 8.400 7.397 2.373 1.00 0.00 C ATOM 422 CD1 PHE A 30 8.670 8.450 1.513 1.00 0.00 C ATOM 423 CD2 PHE A 30 8.362 6.111 1.859 1.00 0.00 C ATOM 424 CE1 PHE A 30 8.895 8.224 0.169 1.00 0.00 C ATOM 425 CE2 PHE A 30 8.586 5.879 0.515 1.00 0.00 C ATOM 426 CZ PHE A 30 8.854 6.937 -0.331 1.00 0.00 C ATOM 0 H PHE A 30 10.945 8.217 3.324 1.00 0.00 H new ATOM 0 HA PHE A 30 9.197 8.010 5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 30 7.493 6.871 4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.637 8.596 3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.705 9.458 1.898 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.155 5.280 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 30 9.103 9.053 -0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.551 4.872 0.127 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.031 6.759 -1.381 1.00 0.00 H new ATOM 436 N SER A 31 9.399 5.420 5.580 1.00 0.00 N ATOM 437 CA SER A 31 9.862 4.049 5.762 1.00 0.00 C ATOM 438 C SER A 31 8.866 3.057 5.168 1.00 0.00 C ATOM 439 O SER A 31 7.779 3.437 4.732 1.00 0.00 O ATOM 440 CB SER A 31 10.071 3.751 7.248 1.00 0.00 C ATOM 441 OG SER A 31 11.359 4.161 7.674 1.00 0.00 O ATOM 0 H SER A 31 8.572 5.662 6.126 1.00 0.00 H new ATOM 0 HA SER A 31 10.813 3.940 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.310 4.264 7.836 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.947 2.683 7.429 1.00 0.00 H new ATOM 0 HG SER A 31 11.467 3.961 8.627 1.00 0.00 H new ATOM 447 N ILE A 32 9.246 1.784 5.155 1.00 0.00 N ATOM 448 CA ILE A 32 8.387 0.736 4.616 1.00 0.00 C ATOM 449 C ILE A 32 8.639 -0.595 5.316 1.00 0.00 C ATOM 450 O ILE A 32 9.737 -0.852 5.809 1.00 0.00 O ATOM 451 CB ILE A 32 8.601 0.556 3.102 1.00 0.00 C ATOM 452 CG1 ILE A 32 10.082 0.718 2.751 1.00 0.00 C ATOM 453 CG2 ILE A 32 7.755 1.554 2.325 1.00 0.00 C ATOM 454 CD1 ILE A 32 10.477 0.027 1.465 1.00 0.00 C ATOM 0 H ILE A 32 10.143 1.453 5.511 1.00 0.00 H new ATOM 0 HA ILE A 32 7.358 1.048 4.794 1.00 0.00 H new ATOM 0 HB ILE A 32 8.289 -0.450 2.823 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.314 1.780 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.686 0.322 3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.917 1.414 1.256 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.702 1.396 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.039 2.568 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 32 11.540 0.184 1.279 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.277 -1.041 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.899 0.440 0.638 1.00 0.00 H new ATOM 466 N LEU A 33 7.614 -1.440 5.353 1.00 0.00 N ATOM 467 CA LEU A 33 7.724 -2.748 5.991 1.00 0.00 C ATOM 468 C LEU A 33 6.969 -3.807 5.194 1.00 0.00 C ATOM 469 O LEU A 33 6.243 -3.489 4.252 1.00 0.00 O ATOM 470 CB LEU A 33 7.183 -2.687 7.421 1.00 0.00 C ATOM 471 CG LEU A 33 5.685 -2.945 7.583 1.00 0.00 C ATOM 472 CD1 LEU A 33 5.311 -3.007 9.056 1.00 0.00 C ATOM 473 CD2 LEU A 33 4.878 -1.869 6.871 1.00 0.00 C ATOM 0 H LEU A 33 6.698 -1.243 4.949 1.00 0.00 H new ATOM 0 HA LEU A 33 8.778 -3.024 6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.724 -3.416 8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.408 -1.703 7.832 1.00 0.00 H new ATOM 0 HG LEU A 33 5.450 -3.907 7.128 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.241 -3.191 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.863 -3.814 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.561 -2.060 9.535 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.814 -2.069 6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.117 -0.894 7.296 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.124 -1.872 5.809 1.00 0.00 H new ATOM 485 N ASP A 34 7.144 -5.066 5.580 1.00 0.00 N ATOM 486 CA ASP A 34 6.477 -6.172 4.904 1.00 0.00 C ATOM 487 C ASP A 34 5.208 -6.578 5.648 1.00 0.00 C ATOM 488 O ASP A 34 5.220 -6.753 6.866 1.00 0.00 O ATOM 489 CB ASP A 34 7.420 -7.371 4.788 1.00 0.00 C ATOM 490 CG ASP A 34 8.130 -7.677 6.092 1.00 0.00 C ATOM 491 OD1 ASP A 34 7.689 -7.165 7.143 1.00 0.00 O ATOM 492 OD2 ASP A 34 9.126 -8.429 6.063 1.00 0.00 O ATOM 0 H ASP A 34 7.742 -5.346 6.357 1.00 0.00 H new ATOM 0 HA ASP A 34 6.200 -5.839 3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.853 -8.247 4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.160 -7.174 4.012 1.00 0.00 H new ATOM 497 N TYR A 35 4.115 -6.724 4.907 1.00 0.00 N ATOM 498 CA TYR A 35 2.837 -7.105 5.497 1.00 0.00 C ATOM 499 C TYR A 35 2.363 -8.448 4.949 1.00 0.00 C ATOM 500 O TYR A 35 2.749 -8.854 3.854 1.00 0.00 O ATOM 501 CB TYR A 35 1.784 -6.030 5.222 1.00 0.00 C ATOM 502 CG TYR A 35 0.702 -5.959 6.276 1.00 0.00 C ATOM 503 CD1 TYR A 35 -0.422 -6.772 6.201 1.00 0.00 C ATOM 504 CD2 TYR A 35 0.804 -5.079 7.347 1.00 0.00 C ATOM 505 CE1 TYR A 35 -1.414 -6.710 7.161 1.00 0.00 C ATOM 506 CE2 TYR A 35 -0.182 -5.012 8.312 1.00 0.00 C ATOM 507 CZ TYR A 35 -1.289 -5.829 8.215 1.00 0.00 C ATOM 508 OH TYR A 35 -2.273 -5.764 9.174 1.00 0.00 O ATOM 0 H TYR A 35 4.088 -6.584 3.897 1.00 0.00 H new ATOM 0 HA TYR A 35 2.977 -7.201 6.574 1.00 0.00 H new ATOM 0 HB2 TYR A 35 2.276 -5.060 5.153 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.324 -6.224 4.253 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.522 -7.464 5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.669 -4.437 7.426 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.282 -7.348 7.086 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.087 -4.323 9.138 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.030 -5.094 9.847 1.00 0.00 H new ATOM 518 N GLN A 36 1.524 -9.131 5.721 1.00 0.00 N ATOM 519 CA GLN A 36 0.997 -10.428 5.314 1.00 0.00 C ATOM 520 C GLN A 36 -0.521 -10.465 5.446 1.00 0.00 C ATOM 521 O GLN A 36 -1.065 -10.252 6.530 1.00 0.00 O ATOM 522 CB GLN A 36 1.621 -11.543 6.156 1.00 0.00 C ATOM 523 CG GLN A 36 2.885 -12.130 5.548 1.00 0.00 C ATOM 524 CD GLN A 36 3.275 -13.453 6.178 1.00 0.00 C ATOM 525 OE1 GLN A 36 4.417 -13.641 6.596 1.00 0.00 O ATOM 526 NE2 GLN A 36 2.325 -14.378 6.248 1.00 0.00 N ATOM 0 H GLN A 36 1.195 -8.808 6.631 1.00 0.00 H new ATOM 0 HA GLN A 36 1.256 -10.584 4.267 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.852 -11.153 7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.889 -12.339 6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.737 -12.271 4.477 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.704 -11.420 5.666 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.391 -14.179 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.529 -15.288 6.661 1.00 0.00 H new ATOM 535 N ASP A 37 -1.200 -10.734 4.336 1.00 0.00 N ATOM 536 CA ASP A 37 -2.657 -10.799 4.328 1.00 0.00 C ATOM 537 C ASP A 37 -3.164 -11.772 5.388 1.00 0.00 C ATOM 538 O ASP A 37 -2.628 -12.866 5.569 1.00 0.00 O ATOM 539 CB ASP A 37 -3.162 -11.221 2.948 1.00 0.00 C ATOM 540 CG ASP A 37 -4.625 -10.882 2.738 1.00 0.00 C ATOM 541 OD1 ASP A 37 -5.487 -11.671 3.178 1.00 0.00 O ATOM 542 OD2 ASP A 37 -4.908 -9.827 2.133 1.00 0.00 O ATOM 0 H ASP A 37 -0.765 -10.910 3.430 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.041 -9.806 4.559 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.564 -10.730 2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.020 -12.295 2.825 1.00 0.00 H new ATOM 547 N PRO A 38 -4.221 -11.366 6.108 1.00 0.00 N ATOM 548 CA PRO A 38 -4.823 -12.187 7.163 1.00 0.00 C ATOM 549 C PRO A 38 -5.547 -13.408 6.605 1.00 0.00 C ATOM 550 O PRO A 38 -5.802 -14.374 7.325 1.00 0.00 O ATOM 551 CB PRO A 38 -5.817 -11.234 7.830 1.00 0.00 C ATOM 552 CG PRO A 38 -6.154 -10.238 6.774 1.00 0.00 C ATOM 553 CD PRO A 38 -4.910 -10.075 5.946 1.00 0.00 C ATOM 0 HA PRO A 38 -4.074 -12.588 7.845 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.706 -11.765 8.172 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.378 -10.752 8.703 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.987 -10.585 6.162 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.456 -9.288 7.216 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.146 -9.874 4.901 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.298 -9.246 6.300 1.00 0.00 H new ATOM 561 N LEU A 39 -5.876 -13.358 5.319 1.00 0.00 N ATOM 562 CA LEU A 39 -6.571 -14.461 4.664 1.00 0.00 C ATOM 563 C LEU A 39 -5.611 -15.275 3.803 1.00 0.00 C ATOM 564 O LEU A 39 -5.810 -16.472 3.596 1.00 0.00 O ATOM 565 CB LEU A 39 -7.719 -13.928 3.805 1.00 0.00 C ATOM 566 CG LEU A 39 -8.597 -12.854 4.449 1.00 0.00 C ATOM 567 CD1 LEU A 39 -9.491 -12.200 3.407 1.00 0.00 C ATOM 568 CD2 LEU A 39 -9.433 -13.452 5.572 1.00 0.00 C ATOM 0 H LEU A 39 -5.673 -12.566 4.709 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.977 -15.113 5.438 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.299 -13.522 2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.355 -14.767 3.522 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.948 -12.088 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.108 -11.439 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.874 -11.737 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.132 -12.955 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.052 -12.674 6.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.073 -14.238 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.774 -13.873 6.332 1.00 0.00 H new ATOM 580 N ASP A 40 -4.570 -14.618 3.304 1.00 0.00 N ATOM 581 CA ASP A 40 -3.576 -15.281 2.468 1.00 0.00 C ATOM 582 C ASP A 40 -2.166 -15.017 2.986 1.00 0.00 C ATOM 583 O ASP A 40 -1.558 -13.984 2.704 1.00 0.00 O ATOM 584 CB ASP A 40 -3.699 -14.805 1.019 1.00 0.00 C ATOM 585 CG ASP A 40 -3.287 -15.871 0.023 1.00 0.00 C ATOM 586 OD1 ASP A 40 -3.586 -17.059 0.267 1.00 0.00 O ATOM 587 OD2 ASP A 40 -2.667 -15.517 -1.001 1.00 0.00 O ATOM 0 H ASP A 40 -4.392 -13.626 3.464 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.762 -16.354 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.729 -14.508 0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.079 -13.920 0.877 1.00 0.00 H new ATOM 592 N PRO A 41 -1.632 -15.971 3.763 1.00 0.00 N ATOM 593 CA PRO A 41 -0.288 -15.864 4.338 1.00 0.00 C ATOM 594 C PRO A 41 0.805 -15.977 3.280 1.00 0.00 C ATOM 595 O PRO A 41 1.938 -15.545 3.494 1.00 0.00 O ATOM 596 CB PRO A 41 -0.221 -17.048 5.305 1.00 0.00 C ATOM 597 CG PRO A 41 -1.196 -18.035 4.764 1.00 0.00 C ATOM 598 CD PRO A 41 -2.300 -17.227 4.141 1.00 0.00 C ATOM 0 HA PRO A 41 -0.124 -14.898 4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.784 -17.467 5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.484 -16.746 6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.725 -18.685 4.027 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.581 -18.677 5.556 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.727 -17.731 3.274 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.116 -17.053 4.843 1.00 0.00 H new ATOM 606 N THR A 42 0.458 -16.560 2.137 1.00 0.00 N ATOM 607 CA THR A 42 1.409 -16.731 1.046 1.00 0.00 C ATOM 608 C THR A 42 1.522 -15.461 0.211 1.00 0.00 C ATOM 609 O THR A 42 2.241 -15.424 -0.787 1.00 0.00 O ATOM 610 CB THR A 42 1.009 -17.901 0.129 1.00 0.00 C ATOM 611 OG1 THR A 42 -0.321 -17.704 -0.364 1.00 0.00 O ATOM 612 CG2 THR A 42 1.087 -19.225 0.875 1.00 0.00 C ATOM 0 H THR A 42 -0.476 -16.922 1.943 1.00 0.00 H new ATOM 0 HA THR A 42 2.375 -16.951 1.501 1.00 0.00 H new ATOM 0 HB THR A 42 1.706 -17.932 -0.708 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.568 -18.452 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.800 -20.037 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.107 -19.386 1.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.410 -19.202 1.729 1.00 0.00 H new ATOM 620 N ARG A 43 0.806 -14.420 0.626 1.00 0.00 N ATOM 621 CA ARG A 43 0.826 -13.148 -0.086 1.00 0.00 C ATOM 622 C ARG A 43 1.252 -12.013 0.842 1.00 0.00 C ATOM 623 O ARG A 43 0.672 -11.821 1.910 1.00 0.00 O ATOM 624 CB ARG A 43 -0.554 -12.848 -0.675 1.00 0.00 C ATOM 625 CG ARG A 43 -0.757 -13.418 -2.070 1.00 0.00 C ATOM 626 CD ARG A 43 -1.877 -12.701 -2.807 1.00 0.00 C ATOM 627 NE ARG A 43 -2.229 -13.373 -4.055 1.00 0.00 N ATOM 628 CZ ARG A 43 -3.116 -12.897 -4.921 1.00 0.00 C ATOM 629 NH1 ARG A 43 -3.738 -11.752 -4.677 1.00 0.00 N ATOM 630 NH2 ARG A 43 -3.382 -13.566 -6.036 1.00 0.00 N ATOM 0 H ARG A 43 0.206 -14.433 1.451 1.00 0.00 H new ATOM 0 HA ARG A 43 1.551 -13.224 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.319 -13.252 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -0.699 -11.768 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.169 -13.330 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.988 -14.481 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.756 -12.645 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.573 -11.676 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.768 -14.256 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.536 -11.234 -3.822 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.419 -11.389 -5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.905 -14.447 -6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.064 -13.199 -6.700 1.00 0.00 H new ATOM 644 N SER A 44 2.268 -11.265 0.425 1.00 0.00 N ATOM 645 CA SER A 44 2.775 -10.152 1.219 1.00 0.00 C ATOM 646 C SER A 44 2.577 -8.828 0.488 1.00 0.00 C ATOM 647 O SER A 44 2.400 -8.798 -0.730 1.00 0.00 O ATOM 648 CB SER A 44 4.258 -10.357 1.535 1.00 0.00 C ATOM 649 OG SER A 44 4.992 -10.662 0.361 1.00 0.00 O ATOM 0 H SER A 44 2.757 -11.409 -0.459 1.00 0.00 H new ATOM 0 HA SER A 44 2.213 -10.119 2.153 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.663 -9.456 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.371 -11.165 2.258 1.00 0.00 H new ATOM 0 HG SER A 44 5.937 -10.787 0.589 1.00 0.00 H new ATOM 655 N VAL A 45 2.608 -7.733 1.241 1.00 0.00 N ATOM 656 CA VAL A 45 2.433 -6.405 0.666 1.00 0.00 C ATOM 657 C VAL A 45 3.188 -5.353 1.471 1.00 0.00 C ATOM 658 O VAL A 45 3.153 -5.357 2.702 1.00 0.00 O ATOM 659 CB VAL A 45 0.945 -6.013 0.601 1.00 0.00 C ATOM 660 CG1 VAL A 45 0.179 -6.971 -0.299 1.00 0.00 C ATOM 661 CG2 VAL A 45 0.340 -5.982 1.996 1.00 0.00 C ATOM 0 H VAL A 45 2.753 -7.740 2.251 1.00 0.00 H new ATOM 0 HA VAL A 45 2.836 -6.443 -0.346 1.00 0.00 H new ATOM 0 HB VAL A 45 0.870 -5.013 0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.870 -6.678 -0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.597 -6.938 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.261 -7.984 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.712 -5.703 1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.426 -6.968 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.871 -5.252 2.607 1.00 0.00 H new ATOM 671 N ILE A 46 3.870 -4.455 0.769 1.00 0.00 N ATOM 672 CA ILE A 46 4.634 -3.397 1.419 1.00 0.00 C ATOM 673 C ILE A 46 3.729 -2.241 1.830 1.00 0.00 C ATOM 674 O ILE A 46 2.977 -1.706 1.015 1.00 0.00 O ATOM 675 CB ILE A 46 5.747 -2.861 0.500 1.00 0.00 C ATOM 676 CG1 ILE A 46 6.776 -3.957 0.216 1.00 0.00 C ATOM 677 CG2 ILE A 46 6.417 -1.649 1.131 1.00 0.00 C ATOM 678 CD1 ILE A 46 7.536 -4.405 1.445 1.00 0.00 C ATOM 0 H ILE A 46 3.909 -4.439 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 46 5.088 -3.835 2.308 1.00 0.00 H new ATOM 0 HB ILE A 46 5.300 -2.554 -0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.268 -4.817 -0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 46 7.485 -3.594 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.202 -1.281 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.677 -0.864 1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 46 6.853 -1.932 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.248 -5.183 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.072 -3.557 1.870 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.836 -4.798 2.182 1.00 0.00 H new ATOM 690 N VAL A 47 3.808 -1.858 3.101 1.00 0.00 N ATOM 691 CA VAL A 47 2.999 -0.762 3.621 1.00 0.00 C ATOM 692 C VAL A 47 3.866 0.441 3.976 1.00 0.00 C ATOM 693 O VAL A 47 5.094 0.351 3.990 1.00 0.00 O ATOM 694 CB VAL A 47 2.205 -1.194 4.868 1.00 0.00 C ATOM 695 CG1 VAL A 47 0.878 -0.454 4.939 1.00 0.00 C ATOM 696 CG2 VAL A 47 1.985 -2.700 4.864 1.00 0.00 C ATOM 0 H VAL A 47 4.424 -2.291 3.789 1.00 0.00 H new ATOM 0 HA VAL A 47 2.300 -0.482 2.833 1.00 0.00 H new ATOM 0 HB VAL A 47 2.785 -0.937 5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.331 -0.772 5.826 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.062 0.619 4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.289 -0.678 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.422 -2.988 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.426 -2.984 3.972 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.949 -3.209 4.865 1.00 0.00 H new ATOM 706 N ILE A 48 3.218 1.565 4.262 1.00 0.00 N ATOM 707 CA ILE A 48 3.930 2.786 4.619 1.00 0.00 C ATOM 708 C ILE A 48 4.259 2.816 6.108 1.00 0.00 C ATOM 709 O ILE A 48 3.461 3.284 6.920 1.00 0.00 O ATOM 710 CB ILE A 48 3.112 4.040 4.260 1.00 0.00 C ATOM 711 CG1 ILE A 48 2.842 4.086 2.754 1.00 0.00 C ATOM 712 CG2 ILE A 48 3.842 5.297 4.711 1.00 0.00 C ATOM 713 CD1 ILE A 48 4.052 4.481 1.936 1.00 0.00 C ATOM 0 H ILE A 48 2.202 1.656 4.254 1.00 0.00 H new ATOM 0 HA ILE A 48 4.857 2.790 4.045 1.00 0.00 H new ATOM 0 HB ILE A 48 2.156 3.992 4.781 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.495 3.107 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.035 4.792 2.559 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.251 6.175 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.987 5.266 5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.811 5.352 4.216 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.788 4.493 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.387 5.473 2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.854 3.761 2.102 1.00 0.00 H new ATOM 725 N ARG A 49 5.439 2.316 6.458 1.00 0.00 N ATOM 726 CA ARG A 49 5.874 2.286 7.849 1.00 0.00 C ATOM 727 C ARG A 49 5.538 3.598 8.552 1.00 0.00 C ATOM 728 O ARG A 49 4.731 3.628 9.481 1.00 0.00 O ATOM 729 CB ARG A 49 7.379 2.023 7.930 1.00 0.00 C ATOM 730 CG ARG A 49 7.936 2.105 9.342 1.00 0.00 C ATOM 731 CD ARG A 49 7.674 0.825 10.119 1.00 0.00 C ATOM 732 NE ARG A 49 8.674 0.604 11.161 1.00 0.00 N ATOM 733 CZ ARG A 49 8.642 -0.423 12.003 1.00 0.00 C ATOM 734 NH1 ARG A 49 7.668 -1.319 11.926 1.00 0.00 N ATOM 735 NH2 ARG A 49 9.588 -0.557 12.925 1.00 0.00 N ATOM 0 H ARG A 49 6.111 1.926 5.797 1.00 0.00 H new ATOM 0 HA ARG A 49 5.343 1.478 8.352 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.589 1.034 7.522 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.900 2.744 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.009 2.294 9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 49 7.484 2.948 9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.683 0.871 10.571 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.672 -0.022 9.433 1.00 0.00 H new ATOM 0 HE ARG A 49 9.438 1.274 11.247 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.940 -1.221 11.218 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.647 -2.106 12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.340 0.129 12.987 1.00 0.00 H new ATOM 0 HH22 ARG A 49 9.562 -1.346 13.571 1.00 0.00 H new ATOM 749 N SER A 50 6.163 4.682 8.102 1.00 0.00 N ATOM 750 CA SER A 50 5.934 5.996 8.690 1.00 0.00 C ATOM 751 C SER A 50 6.595 7.088 7.855 1.00 0.00 C ATOM 752 O SER A 50 7.545 6.830 7.114 1.00 0.00 O ATOM 753 CB SER A 50 6.470 6.038 10.122 1.00 0.00 C ATOM 754 OG SER A 50 7.887 6.051 10.136 1.00 0.00 O ATOM 0 H SER A 50 6.832 4.675 7.332 1.00 0.00 H new ATOM 0 HA SER A 50 4.859 6.177 8.707 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.090 6.924 10.630 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.106 5.173 10.676 1.00 0.00 H new ATOM 0 HG SER A 50 8.205 6.080 11.063 1.00 0.00 H new ATOM 760 N LEU A 51 6.088 8.309 7.981 1.00 0.00 N ATOM 761 CA LEU A 51 6.629 9.443 7.238 1.00 0.00 C ATOM 762 C LEU A 51 7.562 10.272 8.114 1.00 0.00 C ATOM 763 O LEU A 51 7.123 10.931 9.057 1.00 0.00 O ATOM 764 CB LEU A 51 5.493 10.320 6.709 1.00 0.00 C ATOM 765 CG LEU A 51 4.200 9.592 6.336 1.00 0.00 C ATOM 766 CD1 LEU A 51 3.140 10.585 5.885 1.00 0.00 C ATOM 767 CD2 LEU A 51 4.464 8.560 5.249 1.00 0.00 C ATOM 0 H LEU A 51 5.303 8.540 8.590 1.00 0.00 H new ATOM 0 HA LEU A 51 7.202 9.055 6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.259 11.071 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.852 10.854 5.829 1.00 0.00 H new ATOM 0 HG LEU A 51 3.829 9.073 7.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.227 10.049 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.931 11.286 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.501 11.132 5.014 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.533 8.052 4.996 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.858 9.058 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.190 7.830 5.608 1.00 0.00 H new ATOM 779 N VAL A 52 8.852 10.237 7.795 1.00 0.00 N ATOM 780 CA VAL A 52 9.847 10.988 8.551 1.00 0.00 C ATOM 781 C VAL A 52 9.413 12.437 8.742 1.00 0.00 C ATOM 782 O VAL A 52 8.780 13.027 7.867 1.00 0.00 O ATOM 783 CB VAL A 52 11.219 10.962 7.852 1.00 0.00 C ATOM 784 CG1 VAL A 52 12.246 11.738 8.662 1.00 0.00 C ATOM 785 CG2 VAL A 52 11.677 9.529 7.629 1.00 0.00 C ATOM 0 H VAL A 52 9.232 9.697 7.018 1.00 0.00 H new ATOM 0 HA VAL A 52 9.935 10.507 9.525 1.00 0.00 H new ATOM 0 HB VAL A 52 11.120 11.443 6.879 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.209 11.708 8.152 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.921 12.773 8.765 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.345 11.289 9.650 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.648 9.530 7.134 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.760 9.020 8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.952 9.008 7.004 1.00 0.00 H new ATOM 795 N ALA A 53 9.759 13.005 9.892 1.00 0.00 N ATOM 796 CA ALA A 53 9.408 14.387 10.198 1.00 0.00 C ATOM 797 C ALA A 53 9.796 15.318 9.054 1.00 0.00 C ATOM 798 O ALA A 53 10.976 15.467 8.736 1.00 0.00 O ATOM 799 CB ALA A 53 10.078 14.828 11.490 1.00 0.00 C ATOM 0 H ALA A 53 10.282 12.530 10.628 1.00 0.00 H new ATOM 0 HA ALA A 53 8.327 14.442 10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 53 9.807 15.861 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.748 14.188 12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.160 14.751 11.383 1.00 0.00 H new ATOM 805 N ASP A 54 8.796 15.940 8.439 1.00 0.00 N ATOM 806 CA ASP A 54 9.033 16.857 7.330 1.00 0.00 C ATOM 807 C ASP A 54 9.760 16.153 6.189 1.00 0.00 C ATOM 808 O ASP A 54 10.568 16.759 5.487 1.00 0.00 O ATOM 809 CB ASP A 54 9.846 18.063 7.803 1.00 0.00 C ATOM 810 CG ASP A 54 9.032 19.010 8.662 1.00 0.00 C ATOM 811 OD1 ASP A 54 8.021 18.564 9.243 1.00 0.00 O ATOM 812 OD2 ASP A 54 9.407 20.198 8.754 1.00 0.00 O ATOM 0 H ASP A 54 7.814 15.826 8.690 1.00 0.00 H new ATOM 0 HA ASP A 54 8.067 17.202 6.963 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.710 17.715 8.369 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.229 18.602 6.936 1.00 0.00 H new ATOM 817 N GLY A 55 9.467 14.868 6.010 1.00 0.00 N ATOM 818 CA GLY A 55 10.102 14.103 4.954 1.00 0.00 C ATOM 819 C GLY A 55 9.377 14.232 3.628 1.00 0.00 C ATOM 820 O GLY A 55 8.177 14.504 3.592 1.00 0.00 O ATOM 0 H GLY A 55 8.801 14.344 6.578 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.132 14.439 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 55 10.140 13.053 5.243 1.00 0.00 H new ATOM 824 N VAL A 56 10.108 14.039 2.535 1.00 0.00 N ATOM 825 CA VAL A 56 9.528 14.136 1.201 1.00 0.00 C ATOM 826 C VAL A 56 8.094 13.620 1.186 1.00 0.00 C ATOM 827 O VAL A 56 7.218 14.210 0.554 1.00 0.00 O ATOM 828 CB VAL A 56 10.357 13.347 0.170 1.00 0.00 C ATOM 829 CG1 VAL A 56 9.666 13.350 -1.185 1.00 0.00 C ATOM 830 CG2 VAL A 56 11.761 13.921 0.063 1.00 0.00 C ATOM 0 H VAL A 56 11.103 13.815 2.547 1.00 0.00 H new ATOM 0 HA VAL A 56 9.534 15.192 0.930 1.00 0.00 H new ATOM 0 HB VAL A 56 10.437 12.314 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.266 12.788 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.683 12.888 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.553 14.377 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.332 13.351 -0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.705 14.963 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.254 13.861 1.033 1.00 0.00 H new ATOM 840 N ALA A 57 7.861 12.515 1.887 1.00 0.00 N ATOM 841 CA ALA A 57 6.532 11.921 1.957 1.00 0.00 C ATOM 842 C ALA A 57 5.513 12.917 2.500 1.00 0.00 C ATOM 843 O ALA A 57 4.557 13.277 1.814 1.00 0.00 O ATOM 844 CB ALA A 57 6.559 10.667 2.819 1.00 0.00 C ATOM 0 H ALA A 57 8.576 12.013 2.414 1.00 0.00 H new ATOM 0 HA ALA A 57 6.230 11.647 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.560 10.234 2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.250 9.943 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.887 10.925 3.826 1.00 0.00 H new ATOM 850 N GLU A 58 5.724 13.357 3.737 1.00 0.00 N ATOM 851 CA GLU A 58 4.822 14.311 4.372 1.00 0.00 C ATOM 852 C GLU A 58 4.781 15.623 3.594 1.00 0.00 C ATOM 853 O GLU A 58 3.712 16.186 3.360 1.00 0.00 O ATOM 854 CB GLU A 58 5.255 14.574 5.815 1.00 0.00 C ATOM 855 CG GLU A 58 4.242 15.370 6.620 1.00 0.00 C ATOM 856 CD GLU A 58 4.454 16.867 6.508 1.00 0.00 C ATOM 857 OE1 GLU A 58 5.603 17.285 6.252 1.00 0.00 O ATOM 858 OE2 GLU A 58 3.473 17.621 6.675 1.00 0.00 O ATOM 0 H GLU A 58 6.511 13.068 4.319 1.00 0.00 H new ATOM 0 HA GLU A 58 3.821 13.879 4.374 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.432 13.620 6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.204 15.111 5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.237 15.123 6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.304 15.075 7.668 1.00 0.00 H new ATOM 865 N ARG A 59 5.955 16.104 3.196 1.00 0.00 N ATOM 866 CA ARG A 59 6.055 17.351 2.447 1.00 0.00 C ATOM 867 C ARG A 59 4.970 17.430 1.377 1.00 0.00 C ATOM 868 O ARG A 59 4.135 18.335 1.390 1.00 0.00 O ATOM 869 CB ARG A 59 7.435 17.471 1.798 1.00 0.00 C ATOM 870 CG ARG A 59 8.555 17.724 2.794 1.00 0.00 C ATOM 871 CD ARG A 59 9.838 18.146 2.094 1.00 0.00 C ATOM 872 NE ARG A 59 9.890 19.588 1.870 1.00 0.00 N ATOM 873 CZ ARG A 59 9.997 20.480 2.849 1.00 0.00 C ATOM 874 NH1 ARG A 59 10.064 20.080 4.111 1.00 0.00 N ATOM 875 NH2 ARG A 59 10.039 21.776 2.565 1.00 0.00 N ATOM 0 H ARG A 59 6.849 15.649 3.380 1.00 0.00 H new ATOM 0 HA ARG A 59 5.915 18.177 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.649 16.555 1.248 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.416 18.283 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.250 18.500 3.497 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.737 16.821 3.376 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.695 17.841 2.694 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.917 17.628 1.138 1.00 0.00 H new ATOM 0 HE ARG A 59 9.842 19.929 0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.033 19.085 4.333 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.146 20.767 4.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.989 22.087 1.595 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.121 22.460 3.317 1.00 0.00 H new ATOM 889 N SER A 60 4.988 16.476 0.451 1.00 0.00 N ATOM 890 CA SER A 60 4.009 16.441 -0.629 1.00 0.00 C ATOM 891 C SER A 60 2.588 16.441 -0.074 1.00 0.00 C ATOM 892 O SER A 60 1.725 17.181 -0.546 1.00 0.00 O ATOM 893 CB SER A 60 4.227 15.204 -1.503 1.00 0.00 C ATOM 894 OG SER A 60 3.548 14.079 -0.973 1.00 0.00 O ATOM 0 H SER A 60 5.670 15.718 0.427 1.00 0.00 H new ATOM 0 HA SER A 60 4.143 17.336 -1.237 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.873 15.403 -2.515 1.00 0.00 H new ATOM 0 HB3 SER A 60 5.293 14.989 -1.575 1.00 0.00 H new ATOM 0 HG SER A 60 3.909 13.867 -0.087 1.00 0.00 H new ATOM 900 N GLY A 61 2.352 15.605 0.932 1.00 0.00 N ATOM 901 CA GLY A 61 1.035 15.524 1.536 1.00 0.00 C ATOM 902 C GLY A 61 0.129 14.540 0.822 1.00 0.00 C ATOM 903 O GLY A 61 -1.066 14.785 0.667 1.00 0.00 O ATOM 0 H GLY A 61 3.049 14.982 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.135 15.229 2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.573 16.511 1.527 1.00 0.00 H new ATOM 907 N GLY A 62 0.701 13.422 0.383 1.00 0.00 N ATOM 908 CA GLY A 62 -0.077 12.416 -0.315 1.00 0.00 C ATOM 909 C GLY A 62 0.055 11.042 0.312 1.00 0.00 C ATOM 910 O GLY A 62 -0.872 10.233 0.253 1.00 0.00 O ATOM 0 H GLY A 62 1.689 13.196 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.126 12.711 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.245 12.370 -1.355 1.00 0.00 H new ATOM 914 N LEU A 63 1.209 10.777 0.915 1.00 0.00 N ATOM 915 CA LEU A 63 1.460 9.491 1.555 1.00 0.00 C ATOM 916 C LEU A 63 1.075 9.533 3.031 1.00 0.00 C ATOM 917 O LEU A 63 1.005 10.604 3.635 1.00 0.00 O ATOM 918 CB LEU A 63 2.933 9.106 1.412 1.00 0.00 C ATOM 919 CG LEU A 63 3.330 8.450 0.089 1.00 0.00 C ATOM 920 CD1 LEU A 63 3.291 9.466 -1.043 1.00 0.00 C ATOM 921 CD2 LEU A 63 4.712 7.823 0.198 1.00 0.00 C ATOM 0 H LEU A 63 1.985 11.436 0.974 1.00 0.00 H new ATOM 0 HA LEU A 63 0.845 8.740 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.537 10.004 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.190 8.425 2.224 1.00 0.00 H new ATOM 0 HG LEU A 63 2.612 7.661 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.576 8.981 -1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.282 9.868 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.986 10.277 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.978 7.361 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.443 8.593 0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.707 7.065 0.981 1.00 0.00 H new ATOM 933 N LEU A 64 0.828 8.361 3.606 1.00 0.00 N ATOM 934 CA LEU A 64 0.452 8.263 5.012 1.00 0.00 C ATOM 935 C LEU A 64 0.798 6.888 5.574 1.00 0.00 C ATOM 936 O LEU A 64 0.850 5.891 4.853 1.00 0.00 O ATOM 937 CB LEU A 64 -1.044 8.534 5.181 1.00 0.00 C ATOM 938 CG LEU A 64 -1.493 9.981 4.972 1.00 0.00 C ATOM 939 CD1 LEU A 64 -3.010 10.076 4.985 1.00 0.00 C ATOM 940 CD2 LEU A 64 -0.890 10.885 6.037 1.00 0.00 C ATOM 0 H LEU A 64 0.881 7.466 3.120 1.00 0.00 H new ATOM 0 HA LEU A 64 1.016 9.014 5.566 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.589 7.901 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.338 8.225 6.184 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.138 10.315 3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.311 11.113 4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.420 9.460 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.388 9.724 5.945 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.220 11.911 5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.215 10.553 7.023 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.198 10.840 5.979 1.00 0.00 H new ATOM 952 N PRO A 65 1.040 6.831 6.892 1.00 0.00 N ATOM 953 CA PRO A 65 1.382 5.583 7.580 1.00 0.00 C ATOM 954 C PRO A 65 0.203 4.619 7.655 1.00 0.00 C ATOM 955 O PRO A 65 -0.825 4.926 8.258 1.00 0.00 O ATOM 956 CB PRO A 65 1.782 6.049 8.982 1.00 0.00 C ATOM 957 CG PRO A 65 1.063 7.340 9.171 1.00 0.00 C ATOM 958 CD PRO A 65 0.996 7.980 7.812 1.00 0.00 C ATOM 0 HA PRO A 65 2.165 5.032 7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.493 5.320 9.739 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.861 6.181 9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.064 7.175 9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.590 7.980 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 65 0.082 8.561 7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.832 8.660 7.646 1.00 0.00 H new ATOM 966 N GLY A 66 0.358 3.451 7.039 1.00 0.00 N ATOM 967 CA GLY A 66 -0.702 2.461 7.048 1.00 0.00 C ATOM 968 C GLY A 66 -1.167 2.096 5.652 1.00 0.00 C ATOM 969 O GLY A 66 -1.728 1.021 5.439 1.00 0.00 O ATOM 0 H GLY A 66 1.199 3.173 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.352 1.563 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.547 2.843 7.621 1.00 0.00 H new ATOM 973 N ASP A 67 -0.936 2.993 4.700 1.00 0.00 N ATOM 974 CA ASP A 67 -1.336 2.761 3.317 1.00 0.00 C ATOM 975 C ASP A 67 -0.385 1.783 2.634 1.00 0.00 C ATOM 976 O ASP A 67 0.820 1.797 2.883 1.00 0.00 O ATOM 977 CB ASP A 67 -1.372 4.081 2.546 1.00 0.00 C ATOM 978 CG ASP A 67 -2.207 5.136 3.243 1.00 0.00 C ATOM 979 OD1 ASP A 67 -1.866 5.505 4.386 1.00 0.00 O ATOM 980 OD2 ASP A 67 -3.203 5.595 2.644 1.00 0.00 O ATOM 0 H ASP A 67 -0.474 3.888 4.861 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.335 2.325 3.321 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.355 4.452 2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.774 3.905 1.548 1.00 0.00 H new ATOM 985 N ARG A 68 -0.936 0.935 1.771 1.00 0.00 N ATOM 986 CA ARG A 68 -0.137 -0.051 1.053 1.00 0.00 C ATOM 987 C ARG A 68 0.451 0.549 -0.220 1.00 0.00 C ATOM 988 O ARG A 68 -0.270 1.117 -1.042 1.00 0.00 O ATOM 989 CB ARG A 68 -0.988 -1.274 0.708 1.00 0.00 C ATOM 990 CG ARG A 68 -0.206 -2.390 0.034 1.00 0.00 C ATOM 991 CD ARG A 68 -1.086 -3.198 -0.906 1.00 0.00 C ATOM 992 NE ARG A 68 -0.310 -4.137 -1.711 1.00 0.00 N ATOM 993 CZ ARG A 68 -0.836 -4.901 -2.661 1.00 0.00 C ATOM 994 NH1 ARG A 68 -2.134 -4.837 -2.925 1.00 0.00 N ATOM 995 NH2 ARG A 68 -0.064 -5.731 -3.351 1.00 0.00 N ATOM 0 H ARG A 68 -1.932 0.911 1.552 1.00 0.00 H new ATOM 0 HA ARG A 68 0.683 -0.359 1.701 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.441 -1.660 1.621 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.803 -0.966 0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.629 -1.965 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.218 -3.048 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.829 -3.746 -0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.631 -2.521 -1.564 1.00 0.00 H new ATOM 0 HE ARG A 68 0.692 -4.210 -1.534 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.731 -4.200 -2.398 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.535 -5.425 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 68 0.935 -5.783 -3.152 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.470 -6.317 -4.080 1.00 0.00 H new ATOM 1009 N LEU A 69 1.764 0.420 -0.378 1.00 0.00 N ATOM 1010 CA LEU A 69 2.450 0.949 -1.551 1.00 0.00 C ATOM 1011 C LEU A 69 2.398 -0.045 -2.707 1.00 0.00 C ATOM 1012 O LEU A 69 2.905 -1.162 -2.602 1.00 0.00 O ATOM 1013 CB LEU A 69 3.904 1.278 -1.211 1.00 0.00 C ATOM 1014 CG LEU A 69 4.818 1.585 -2.398 1.00 0.00 C ATOM 1015 CD1 LEU A 69 4.297 2.782 -3.178 1.00 0.00 C ATOM 1016 CD2 LEU A 69 6.243 1.834 -1.923 1.00 0.00 C ATOM 0 H LEU A 69 2.375 -0.047 0.292 1.00 0.00 H new ATOM 0 HA LEU A 69 1.940 1.862 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.914 2.136 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.327 0.437 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 69 4.823 0.720 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.960 2.985 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.296 2.566 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.261 3.654 -2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.880 2.051 -2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.255 2.682 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.615 0.948 -1.410 1.00 0.00 H new ATOM 1028 N VAL A 70 1.784 0.369 -3.810 1.00 0.00 N ATOM 1029 CA VAL A 70 1.669 -0.484 -4.988 1.00 0.00 C ATOM 1030 C VAL A 70 2.999 -0.582 -5.727 1.00 0.00 C ATOM 1031 O VAL A 70 3.529 -1.674 -5.929 1.00 0.00 O ATOM 1032 CB VAL A 70 0.593 0.040 -5.957 1.00 0.00 C ATOM 1033 CG1 VAL A 70 0.356 -0.958 -7.081 1.00 0.00 C ATOM 1034 CG2 VAL A 70 -0.700 0.331 -5.210 1.00 0.00 C ATOM 0 H VAL A 70 1.358 1.290 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 70 1.379 -1.474 -4.636 1.00 0.00 H new ATOM 0 HB VAL A 70 0.948 0.971 -6.399 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.407 -0.571 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.284 -1.112 -7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.022 -1.907 -6.661 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.449 0.700 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.062 -0.583 -4.740 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.516 1.085 -4.444 1.00 0.00 H new ATOM 1044 N SER A 71 3.534 0.568 -6.127 1.00 0.00 N ATOM 1045 CA SER A 71 4.801 0.612 -6.847 1.00 0.00 C ATOM 1046 C SER A 71 5.516 1.938 -6.608 1.00 0.00 C ATOM 1047 O SER A 71 4.939 2.877 -6.060 1.00 0.00 O ATOM 1048 CB SER A 71 4.568 0.408 -8.346 1.00 0.00 C ATOM 1049 OG SER A 71 3.444 1.146 -8.792 1.00 0.00 O ATOM 0 H SER A 71 3.109 1.481 -5.964 1.00 0.00 H new ATOM 0 HA SER A 71 5.432 -0.194 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.454 0.718 -8.900 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.417 -0.651 -8.553 1.00 0.00 H new ATOM 0 HG SER A 71 3.317 1.000 -9.753 1.00 0.00 H new ATOM 1055 N VAL A 72 6.777 2.007 -7.024 1.00 0.00 N ATOM 1056 CA VAL A 72 7.572 3.217 -6.857 1.00 0.00 C ATOM 1057 C VAL A 72 8.418 3.494 -8.095 1.00 0.00 C ATOM 1058 O VAL A 72 9.395 2.796 -8.360 1.00 0.00 O ATOM 1059 CB VAL A 72 8.496 3.117 -5.629 1.00 0.00 C ATOM 1060 CG1 VAL A 72 9.368 4.358 -5.514 1.00 0.00 C ATOM 1061 CG2 VAL A 72 7.678 2.911 -4.363 1.00 0.00 C ATOM 0 H VAL A 72 7.270 1.238 -7.479 1.00 0.00 H new ATOM 0 HA VAL A 72 6.871 4.038 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 72 9.149 2.254 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.014 4.269 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.981 4.456 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.735 5.239 -5.409 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.347 2.842 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.999 3.753 -4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.101 1.990 -4.448 1.00 0.00 H new ATOM 1071 N ASN A 73 8.034 4.519 -8.850 1.00 0.00 N ATOM 1072 CA ASN A 73 8.758 4.889 -10.061 1.00 0.00 C ATOM 1073 C ASN A 73 8.689 3.773 -11.098 1.00 0.00 C ATOM 1074 O ASN A 73 9.712 3.343 -11.630 1.00 0.00 O ATOM 1075 CB ASN A 73 10.218 5.205 -9.731 1.00 0.00 C ATOM 1076 CG ASN A 73 10.431 6.666 -9.388 1.00 0.00 C ATOM 1077 OD1 ASN A 73 9.567 7.307 -8.788 1.00 0.00 O ATOM 1078 ND2 ASN A 73 11.585 7.201 -9.768 1.00 0.00 N ATOM 0 H ASN A 73 7.226 5.107 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 73 8.287 5.779 -10.479 1.00 0.00 H new ATOM 0 HB2 ASN A 73 10.540 4.587 -8.892 1.00 0.00 H new ATOM 0 HB3 ASN A 73 10.845 4.939 -10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.784 8.180 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 73 12.272 6.633 -10.263 1.00 0.00 H new ATOM 1085 N GLU A 74 7.476 3.309 -11.380 1.00 0.00 N ATOM 1086 CA GLU A 74 7.274 2.242 -12.354 1.00 0.00 C ATOM 1087 C GLU A 74 7.968 0.959 -11.907 1.00 0.00 C ATOM 1088 O GLU A 74 8.714 0.345 -12.670 1.00 0.00 O ATOM 1089 CB GLU A 74 7.800 2.668 -13.726 1.00 0.00 C ATOM 1090 CG GLU A 74 6.894 3.651 -14.448 1.00 0.00 C ATOM 1091 CD GLU A 74 7.465 4.104 -15.778 1.00 0.00 C ATOM 1092 OE1 GLU A 74 8.522 4.769 -15.773 1.00 0.00 O ATOM 1093 OE2 GLU A 74 6.856 3.793 -16.822 1.00 0.00 O ATOM 0 H GLU A 74 6.619 3.655 -10.949 1.00 0.00 H new ATOM 0 HA GLU A 74 6.204 2.049 -12.427 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.785 3.118 -13.604 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.929 1.782 -14.347 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.921 3.188 -14.614 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.729 4.521 -13.813 1.00 0.00 H new ATOM 1100 N TYR A 75 7.717 0.560 -10.665 1.00 0.00 N ATOM 1101 CA TYR A 75 8.319 -0.649 -10.114 1.00 0.00 C ATOM 1102 C TYR A 75 7.280 -1.486 -9.374 1.00 0.00 C ATOM 1103 O TYR A 75 6.788 -1.092 -8.316 1.00 0.00 O ATOM 1104 CB TYR A 75 9.466 -0.287 -9.169 1.00 0.00 C ATOM 1105 CG TYR A 75 10.794 -0.111 -9.868 1.00 0.00 C ATOM 1106 CD1 TYR A 75 11.590 -1.208 -10.176 1.00 0.00 C ATOM 1107 CD2 TYR A 75 11.255 1.151 -10.221 1.00 0.00 C ATOM 1108 CE1 TYR A 75 12.805 -1.053 -10.815 1.00 0.00 C ATOM 1109 CE2 TYR A 75 12.468 1.316 -10.861 1.00 0.00 C ATOM 1110 CZ TYR A 75 13.240 0.211 -11.155 1.00 0.00 C ATOM 1111 OH TYR A 75 14.449 0.371 -11.792 1.00 0.00 O ATOM 0 H TYR A 75 7.101 1.056 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 75 8.712 -1.239 -10.942 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.216 0.635 -8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.563 -1.067 -8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 75 11.253 -2.199 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.654 2.019 -9.991 1.00 0.00 H new ATOM 0 HE1 TYR A 75 13.411 -1.917 -11.047 1.00 0.00 H new ATOM 0 HE2 TYR A 75 12.810 2.304 -11.130 1.00 0.00 H new ATOM 0 HH TYR A 75 14.606 1.323 -11.962 1.00 0.00 H new ATOM 1121 N CYS A 76 6.952 -2.643 -9.938 1.00 0.00 N ATOM 1122 CA CYS A 76 5.972 -3.538 -9.334 1.00 0.00 C ATOM 1123 C CYS A 76 6.497 -4.114 -8.022 1.00 0.00 C ATOM 1124 O CYS A 76 7.320 -5.031 -8.020 1.00 0.00 O ATOM 1125 CB CYS A 76 5.622 -4.672 -10.298 1.00 0.00 C ATOM 1126 SG CYS A 76 7.042 -5.666 -10.815 1.00 0.00 S ATOM 0 H CYS A 76 7.351 -2.983 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 76 5.072 -2.960 -9.123 1.00 0.00 H new ATOM 0 HB2 CYS A 76 4.889 -5.324 -9.824 1.00 0.00 H new ATOM 0 HB3 CYS A 76 5.147 -4.249 -11.183 1.00 0.00 H new ATOM 0 HG CYS A 76 7.815 -5.882 -9.793 1.00 0.00 H new ATOM 1132 N LEU A 77 6.018 -3.569 -6.910 1.00 0.00 N ATOM 1133 CA LEU A 77 6.441 -4.027 -5.590 1.00 0.00 C ATOM 1134 C LEU A 77 5.466 -5.061 -5.035 1.00 0.00 C ATOM 1135 O LEU A 77 5.507 -5.394 -3.850 1.00 0.00 O ATOM 1136 CB LEU A 77 6.549 -2.843 -4.628 1.00 0.00 C ATOM 1137 CG LEU A 77 7.413 -1.672 -5.099 1.00 0.00 C ATOM 1138 CD1 LEU A 77 7.369 -0.536 -4.089 1.00 0.00 C ATOM 1139 CD2 LEU A 77 8.847 -2.127 -5.331 1.00 0.00 C ATOM 0 H LEU A 77 5.337 -2.810 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 77 7.420 -4.495 -5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.544 -2.470 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.949 -3.205 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 77 7.012 -1.306 -6.044 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.989 0.288 -4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.341 -0.192 -3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.745 -0.888 -3.128 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.447 -1.281 -5.666 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.259 -2.519 -4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.863 -2.907 -6.092 1.00 0.00 H new ATOM 1151 N ASP A 78 4.592 -5.566 -5.898 1.00 0.00 N ATOM 1152 CA ASP A 78 3.609 -6.564 -5.495 1.00 0.00 C ATOM 1153 C ASP A 78 4.294 -7.802 -4.924 1.00 0.00 C ATOM 1154 O ASP A 78 5.257 -8.309 -5.496 1.00 0.00 O ATOM 1155 CB ASP A 78 2.730 -6.955 -6.685 1.00 0.00 C ATOM 1156 CG ASP A 78 3.462 -7.833 -7.681 1.00 0.00 C ATOM 1157 OD1 ASP A 78 4.085 -7.282 -8.612 1.00 0.00 O ATOM 1158 OD2 ASP A 78 3.412 -9.072 -7.528 1.00 0.00 O ATOM 0 H ASP A 78 4.544 -5.300 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 78 2.982 -6.127 -4.718 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.846 -7.480 -6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.381 -6.053 -7.188 1.00 0.00 H new ATOM 1163 N ASN A 79 3.790 -8.282 -3.792 1.00 0.00 N ATOM 1164 CA ASN A 79 4.354 -9.459 -3.142 1.00 0.00 C ATOM 1165 C ASN A 79 5.879 -9.418 -3.173 1.00 0.00 C ATOM 1166 O ASN A 79 6.533 -10.427 -3.441 1.00 0.00 O ATOM 1167 CB ASN A 79 3.853 -10.733 -3.825 1.00 0.00 C ATOM 1168 CG ASN A 79 2.387 -11.001 -3.545 1.00 0.00 C ATOM 1169 OD1 ASN A 79 2.030 -12.032 -2.974 1.00 0.00 O ATOM 1170 ND2 ASN A 79 1.528 -10.070 -3.946 1.00 0.00 N ATOM 0 H ASN A 79 2.992 -7.874 -3.306 1.00 0.00 H new ATOM 0 HA ASN A 79 4.029 -9.461 -2.102 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.005 -10.649 -4.901 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.446 -11.582 -3.485 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.529 -10.195 -3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.868 -9.231 -4.416 1.00 0.00 H new ATOM 1177 N THR A 80 6.440 -8.246 -2.895 1.00 0.00 N ATOM 1178 CA THR A 80 7.887 -8.072 -2.891 1.00 0.00 C ATOM 1179 C THR A 80 8.448 -8.168 -1.477 1.00 0.00 C ATOM 1180 O THR A 80 7.769 -7.836 -0.505 1.00 0.00 O ATOM 1181 CB THR A 80 8.293 -6.718 -3.501 1.00 0.00 C ATOM 1182 OG1 THR A 80 7.723 -6.579 -4.808 1.00 0.00 O ATOM 1183 CG2 THR A 80 9.806 -6.594 -3.587 1.00 0.00 C ATOM 0 H THR A 80 5.914 -7.402 -2.669 1.00 0.00 H new ATOM 0 HA THR A 80 8.303 -8.875 -3.500 1.00 0.00 H new ATOM 0 HB THR A 80 7.916 -5.926 -2.854 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.440 -6.469 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 80 10.068 -5.629 -4.021 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.235 -6.671 -2.588 1.00 0.00 H new ATOM 0 HG23 THR A 80 10.202 -7.393 -4.214 1.00 0.00 H new ATOM 1191 N SER A 81 9.693 -8.623 -1.368 1.00 0.00 N ATOM 1192 CA SER A 81 10.344 -8.765 -0.071 1.00 0.00 C ATOM 1193 C SER A 81 10.849 -7.417 0.433 1.00 0.00 C ATOM 1194 O SER A 81 11.480 -6.660 -0.306 1.00 0.00 O ATOM 1195 CB SER A 81 11.507 -9.755 -0.167 1.00 0.00 C ATOM 1196 OG SER A 81 11.049 -11.047 -0.526 1.00 0.00 O ATOM 0 H SER A 81 10.270 -8.899 -2.162 1.00 0.00 H new ATOM 0 HA SER A 81 9.609 -9.146 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.228 -9.403 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.028 -9.803 0.789 1.00 0.00 H new ATOM 0 HG SER A 81 11.811 -11.660 -0.582 1.00 0.00 H new ATOM 1202 N LEU A 82 10.567 -7.123 1.698 1.00 0.00 N ATOM 1203 CA LEU A 82 10.992 -5.866 2.304 1.00 0.00 C ATOM 1204 C LEU A 82 12.342 -5.422 1.748 1.00 0.00 C ATOM 1205 O LEU A 82 12.508 -4.275 1.334 1.00 0.00 O ATOM 1206 CB LEU A 82 11.077 -6.012 3.824 1.00 0.00 C ATOM 1207 CG LEU A 82 11.862 -4.926 4.560 1.00 0.00 C ATOM 1208 CD1 LEU A 82 11.185 -3.574 4.396 1.00 0.00 C ATOM 1209 CD2 LEU A 82 12.005 -5.278 6.034 1.00 0.00 C ATOM 0 H LEU A 82 10.046 -7.738 2.323 1.00 0.00 H new ATOM 0 HA LEU A 82 10.251 -5.105 2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.063 -6.034 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 82 11.530 -6.977 4.051 1.00 0.00 H new ATOM 0 HG LEU A 82 12.859 -4.865 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 82 11.758 -2.813 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.135 -3.318 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.176 -3.620 4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 82 12.566 -4.494 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.016 -5.367 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.535 -6.226 6.132 1.00 0.00 H new ATOM 1221 N ALA A 83 13.303 -6.340 1.741 1.00 0.00 N ATOM 1222 CA ALA A 83 14.637 -6.045 1.232 1.00 0.00 C ATOM 1223 C ALA A 83 14.574 -5.494 -0.188 1.00 0.00 C ATOM 1224 O ALA A 83 15.197 -4.479 -0.497 1.00 0.00 O ATOM 1225 CB ALA A 83 15.507 -7.292 1.278 1.00 0.00 C ATOM 0 H ALA A 83 13.183 -7.294 2.082 1.00 0.00 H new ATOM 0 HA ALA A 83 15.081 -5.281 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 83 16.500 -7.057 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 83 15.588 -7.641 2.307 1.00 0.00 H new ATOM 0 HB3 ALA A 83 15.057 -8.073 0.665 1.00 0.00 H new ATOM 1231 N GLU A 84 13.818 -6.170 -1.047 1.00 0.00 N ATOM 1232 CA GLU A 84 13.675 -5.747 -2.435 1.00 0.00 C ATOM 1233 C GLU A 84 13.025 -4.370 -2.521 1.00 0.00 C ATOM 1234 O GLU A 84 13.436 -3.525 -3.316 1.00 0.00 O ATOM 1235 CB GLU A 84 12.844 -6.765 -3.219 1.00 0.00 C ATOM 1236 CG GLU A 84 13.671 -7.884 -3.830 1.00 0.00 C ATOM 1237 CD GLU A 84 13.033 -8.466 -5.077 1.00 0.00 C ATOM 1238 OE1 GLU A 84 12.072 -9.251 -4.942 1.00 0.00 O ATOM 1239 OE2 GLU A 84 13.497 -8.136 -6.189 1.00 0.00 O ATOM 0 H GLU A 84 13.295 -7.012 -0.806 1.00 0.00 H new ATOM 0 HA GLU A 84 14.671 -5.687 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 84 12.095 -7.198 -2.556 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.305 -6.248 -4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.663 -7.505 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.807 -8.675 -3.093 1.00 0.00 H new ATOM 1246 N ALA A 85 12.006 -4.151 -1.696 1.00 0.00 N ATOM 1247 CA ALA A 85 11.299 -2.877 -1.676 1.00 0.00 C ATOM 1248 C ALA A 85 12.234 -1.736 -1.290 1.00 0.00 C ATOM 1249 O ALA A 85 12.215 -0.669 -1.904 1.00 0.00 O ATOM 1250 CB ALA A 85 10.119 -2.942 -0.717 1.00 0.00 C ATOM 0 H ALA A 85 11.652 -4.840 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 85 10.926 -2.682 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.600 -1.983 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.432 -3.725 -1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 85 10.478 -3.165 0.288 1.00 0.00 H new ATOM 1256 N VAL A 86 13.052 -1.967 -0.267 1.00 0.00 N ATOM 1257 CA VAL A 86 13.995 -0.959 0.201 1.00 0.00 C ATOM 1258 C VAL A 86 15.046 -0.655 -0.861 1.00 0.00 C ATOM 1259 O VAL A 86 15.372 0.505 -1.111 1.00 0.00 O ATOM 1260 CB VAL A 86 14.701 -1.408 1.493 1.00 0.00 C ATOM 1261 CG1 VAL A 86 15.781 -0.411 1.886 1.00 0.00 C ATOM 1262 CG2 VAL A 86 13.692 -1.584 2.618 1.00 0.00 C ATOM 0 H VAL A 86 13.080 -2.844 0.253 1.00 0.00 H new ATOM 0 HA VAL A 86 13.419 -0.057 0.406 1.00 0.00 H new ATOM 0 HB VAL A 86 15.178 -2.371 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 86 16.269 -0.745 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 86 16.519 -0.340 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 86 15.330 0.567 2.052 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.209 -1.902 3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.184 -0.637 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.959 -2.339 2.335 1.00 0.00 H new ATOM 1272 N GLU A 87 15.573 -1.705 -1.482 1.00 0.00 N ATOM 1273 CA GLU A 87 16.588 -1.550 -2.517 1.00 0.00 C ATOM 1274 C GLU A 87 16.031 -0.787 -3.716 1.00 0.00 C ATOM 1275 O GLU A 87 16.756 -0.055 -4.391 1.00 0.00 O ATOM 1276 CB GLU A 87 17.105 -2.918 -2.966 1.00 0.00 C ATOM 1277 CG GLU A 87 18.038 -3.575 -1.962 1.00 0.00 C ATOM 1278 CD GLU A 87 18.501 -4.948 -2.408 1.00 0.00 C ATOM 1279 OE1 GLU A 87 19.217 -5.032 -3.428 1.00 0.00 O ATOM 1280 OE2 GLU A 87 18.147 -5.940 -1.737 1.00 0.00 O ATOM 0 H GLU A 87 15.314 -2.672 -1.286 1.00 0.00 H new ATOM 0 HA GLU A 87 17.414 -0.978 -2.095 1.00 0.00 H new ATOM 0 HB2 GLU A 87 16.256 -3.577 -3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 87 17.628 -2.806 -3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 87 18.907 -2.935 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.530 -3.661 -1.002 1.00 0.00 H new ATOM 1287 N ILE A 88 14.740 -0.963 -3.974 1.00 0.00 N ATOM 1288 CA ILE A 88 14.085 -0.292 -5.089 1.00 0.00 C ATOM 1289 C ILE A 88 13.996 1.212 -4.850 1.00 0.00 C ATOM 1290 O ILE A 88 14.175 2.009 -5.772 1.00 0.00 O ATOM 1291 CB ILE A 88 12.669 -0.847 -5.328 1.00 0.00 C ATOM 1292 CG1 ILE A 88 12.742 -2.226 -5.986 1.00 0.00 C ATOM 1293 CG2 ILE A 88 11.861 0.114 -6.188 1.00 0.00 C ATOM 1294 CD1 ILE A 88 11.574 -3.124 -5.641 1.00 0.00 C ATOM 0 H ILE A 88 14.126 -1.565 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 88 14.694 -0.482 -5.973 1.00 0.00 H new ATOM 0 HB ILE A 88 12.169 -0.951 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 88 12.787 -2.101 -7.068 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.668 -2.715 -5.683 1.00 0.00 H new ATOM 0 HG21 ILE A 88 10.862 -0.293 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE A 88 11.784 1.077 -5.683 1.00 0.00 H new ATOM 0 HG23 ILE A 88 12.357 0.247 -7.149 1.00 0.00 H new ATOM 0 HD11 ILE A 88 11.693 -4.084 -6.143 1.00 0.00 H new ATOM 0 HD12 ILE A 88 11.541 -3.279 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 88 10.646 -2.656 -5.969 1.00 0.00 H new ATOM 1306 N LEU A 89 13.721 1.592 -3.608 1.00 0.00 N ATOM 1307 CA LEU A 89 13.610 3.001 -3.246 1.00 0.00 C ATOM 1308 C LEU A 89 14.988 3.647 -3.144 1.00 0.00 C ATOM 1309 O LEU A 89 15.133 4.857 -3.319 1.00 0.00 O ATOM 1310 CB LEU A 89 12.865 3.150 -1.918 1.00 0.00 C ATOM 1311 CG LEU A 89 11.344 3.281 -2.013 1.00 0.00 C ATOM 1312 CD1 LEU A 89 10.710 3.146 -0.638 1.00 0.00 C ATOM 1313 CD2 LEU A 89 10.963 4.609 -2.651 1.00 0.00 C ATOM 0 H LEU A 89 13.571 0.945 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 89 13.048 3.509 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 89 13.097 2.286 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.254 4.028 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 89 10.967 2.476 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 89 9.628 3.242 -0.725 1.00 0.00 H new ATOM 0 HD12 LEU A 89 10.955 2.170 -0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 89 11.092 3.929 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 89 9.877 4.686 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.352 5.428 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 89 11.387 4.666 -3.654 1.00 0.00 H new ATOM 1325 N LYS A 90 15.998 2.832 -2.861 1.00 0.00 N ATOM 1326 CA LYS A 90 17.366 3.322 -2.739 1.00 0.00 C ATOM 1327 C LYS A 90 18.029 3.432 -4.108 1.00 0.00 C ATOM 1328 O LYS A 90 18.853 4.316 -4.340 1.00 0.00 O ATOM 1329 CB LYS A 90 18.184 2.393 -1.838 1.00 0.00 C ATOM 1330 CG LYS A 90 17.966 2.637 -0.355 1.00 0.00 C ATOM 1331 CD LYS A 90 18.155 1.364 0.453 1.00 0.00 C ATOM 1332 CE LYS A 90 19.602 1.192 0.890 1.00 0.00 C ATOM 1333 NZ LYS A 90 20.039 2.283 1.805 1.00 0.00 N ATOM 0 H LYS A 90 15.895 1.828 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 90 17.331 4.315 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.928 1.359 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 90 19.242 2.518 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.663 3.398 -0.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 16.961 3.026 -0.193 1.00 0.00 H new ATOM 0 HD2 LYS A 90 17.509 1.389 1.331 1.00 0.00 H new ATOM 0 HD3 LYS A 90 17.849 0.504 -0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 90 19.718 0.230 1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.247 1.175 0.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 20.799 1.934 2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 20.390 3.086 1.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.234 2.592 2.387 1.00 0.00 H new ATOM 1347 N ALA A 91 17.662 2.530 -5.013 1.00 0.00 N ATOM 1348 CA ALA A 91 18.218 2.529 -6.360 1.00 0.00 C ATOM 1349 C ALA A 91 17.502 3.538 -7.251 1.00 0.00 C ATOM 1350 O ALA A 91 18.034 3.965 -8.275 1.00 0.00 O ATOM 1351 CB ALA A 91 18.134 1.135 -6.965 1.00 0.00 C ATOM 0 H ALA A 91 16.982 1.791 -4.837 1.00 0.00 H new ATOM 0 HA ALA A 91 19.266 2.822 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 91 18.553 1.149 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 91 18.697 0.436 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 91 17.091 0.820 -7.010 1.00 0.00 H new ATOM 1357 N VAL A 92 16.291 3.916 -6.854 1.00 0.00 N ATOM 1358 CA VAL A 92 15.501 4.876 -7.616 1.00 0.00 C ATOM 1359 C VAL A 92 16.220 6.216 -7.724 1.00 0.00 C ATOM 1360 O VAL A 92 16.780 6.728 -6.755 1.00 0.00 O ATOM 1361 CB VAL A 92 14.117 5.097 -6.977 1.00 0.00 C ATOM 1362 CG1 VAL A 92 14.239 5.949 -5.723 1.00 0.00 C ATOM 1363 CG2 VAL A 92 13.166 5.738 -7.977 1.00 0.00 C ATOM 0 H VAL A 92 15.835 3.572 -6.009 1.00 0.00 H new ATOM 0 HA VAL A 92 15.369 4.457 -8.613 1.00 0.00 H new ATOM 0 HB VAL A 92 13.708 4.128 -6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 92 13.252 6.095 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 92 14.885 5.446 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 92 14.668 6.917 -5.981 1.00 0.00 H new ATOM 0 HG21 VAL A 92 12.193 5.887 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 92 13.567 6.700 -8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 92 13.056 5.086 -8.844 1.00 0.00 H new ATOM 1373 N PRO A 93 16.205 6.800 -8.932 1.00 0.00 N ATOM 1374 CA PRO A 93 16.849 8.089 -9.195 1.00 0.00 C ATOM 1375 C PRO A 93 16.127 9.248 -8.517 1.00 0.00 C ATOM 1376 O PRO A 93 14.937 9.174 -8.209 1.00 0.00 O ATOM 1377 CB PRO A 93 16.765 8.224 -10.718 1.00 0.00 C ATOM 1378 CG PRO A 93 15.592 7.391 -11.107 1.00 0.00 C ATOM 1379 CD PRO A 93 15.556 6.246 -10.132 1.00 0.00 C ATOM 0 HA PRO A 93 17.867 8.122 -8.806 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.629 9.263 -11.017 1.00 0.00 H new ATOM 0 HB3 PRO A 93 17.678 7.871 -11.198 1.00 0.00 H new ATOM 0 HG2 PRO A 93 14.670 7.971 -11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 93 15.692 7.029 -12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 93 14.535 5.926 -9.925 1.00 0.00 H new ATOM 0 HD3 PRO A 93 16.091 5.376 -10.513 1.00 0.00 H new ATOM 1387 N PRO A 94 16.860 10.346 -8.279 1.00 0.00 N ATOM 1388 CA PRO A 94 16.308 11.542 -7.636 1.00 0.00 C ATOM 1389 C PRO A 94 15.319 12.279 -8.533 1.00 0.00 C ATOM 1390 O PRO A 94 15.157 11.940 -9.704 1.00 0.00 O ATOM 1391 CB PRO A 94 17.544 12.409 -7.379 1.00 0.00 C ATOM 1392 CG PRO A 94 18.533 11.971 -8.404 1.00 0.00 C ATOM 1393 CD PRO A 94 18.284 10.504 -8.620 1.00 0.00 C ATOM 0 HA PRO A 94 15.746 11.297 -6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 94 17.312 13.469 -7.480 1.00 0.00 H new ATOM 0 HB3 PRO A 94 17.928 12.262 -6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 94 18.406 12.529 -9.332 1.00 0.00 H new ATOM 0 HG3 PRO A 94 19.553 12.147 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 94 18.486 10.210 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 94 18.920 9.890 -7.983 1.00 0.00 H new ATOM 1401 N GLY A 95 14.659 13.288 -7.974 1.00 0.00 N ATOM 1402 CA GLY A 95 13.693 14.057 -8.738 1.00 0.00 C ATOM 1403 C GLY A 95 12.269 13.589 -8.511 1.00 0.00 C ATOM 1404 O GLY A 95 11.970 12.957 -7.497 1.00 0.00 O ATOM 0 H GLY A 95 14.776 13.587 -7.006 1.00 0.00 H new ATOM 0 HA2 GLY A 95 13.774 15.109 -8.466 1.00 0.00 H new ATOM 0 HA3 GLY A 95 13.932 13.983 -9.799 1.00 0.00 H new ATOM 1408 N LEU A 96 11.388 13.900 -9.455 1.00 0.00 N ATOM 1409 CA LEU A 96 9.987 13.509 -9.353 1.00 0.00 C ATOM 1410 C LEU A 96 9.856 12.005 -9.131 1.00 0.00 C ATOM 1411 O LEU A 96 10.458 11.207 -9.849 1.00 0.00 O ATOM 1412 CB LEU A 96 9.229 13.917 -10.617 1.00 0.00 C ATOM 1413 CG LEU A 96 7.704 13.912 -10.517 1.00 0.00 C ATOM 1414 CD1 LEU A 96 7.187 12.497 -10.305 1.00 0.00 C ATOM 1415 CD2 LEU A 96 7.240 14.825 -9.392 1.00 0.00 C ATOM 0 H LEU A 96 11.619 14.422 -10.300 1.00 0.00 H new ATOM 0 HA LEU A 96 9.554 14.024 -8.495 1.00 0.00 H new ATOM 0 HB2 LEU A 96 9.551 14.919 -10.902 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.522 13.246 -11.425 1.00 0.00 H new ATOM 0 HG LEU A 96 7.297 14.289 -11.455 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.099 12.514 -10.236 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.488 11.870 -11.144 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.603 12.092 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.152 14.809 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.657 14.478 -8.447 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.578 15.843 -9.587 1.00 0.00 H new ATOM 1427 N VAL A 97 9.064 11.626 -8.132 1.00 0.00 N ATOM 1428 CA VAL A 97 8.852 10.219 -7.817 1.00 0.00 C ATOM 1429 C VAL A 97 7.375 9.852 -7.909 1.00 0.00 C ATOM 1430 O VAL A 97 6.582 10.199 -7.033 1.00 0.00 O ATOM 1431 CB VAL A 97 9.368 9.875 -6.408 1.00 0.00 C ATOM 1432 CG1 VAL A 97 9.088 8.417 -6.077 1.00 0.00 C ATOM 1433 CG2 VAL A 97 10.855 10.179 -6.297 1.00 0.00 C ATOM 0 H VAL A 97 8.559 12.274 -7.528 1.00 0.00 H new ATOM 0 HA VAL A 97 9.414 9.642 -8.552 1.00 0.00 H new ATOM 0 HB VAL A 97 8.838 10.495 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.460 8.193 -5.077 1.00 0.00 H new ATOM 0 HG12 VAL A 97 8.014 8.235 -6.114 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.589 7.776 -6.803 1.00 0.00 H new ATOM 0 HG21 VAL A 97 11.203 9.930 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 97 11.403 9.586 -7.029 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.025 11.239 -6.487 1.00 0.00 H new ATOM 1443 N HIS A 98 7.010 9.148 -8.976 1.00 0.00 N ATOM 1444 CA HIS A 98 5.627 8.733 -9.182 1.00 0.00 C ATOM 1445 C HIS A 98 5.372 7.364 -8.558 1.00 0.00 C ATOM 1446 O HIS A 98 5.685 6.331 -9.152 1.00 0.00 O ATOM 1447 CB HIS A 98 5.301 8.694 -10.675 1.00 0.00 C ATOM 1448 CG HIS A 98 4.972 10.037 -11.252 1.00 0.00 C ATOM 1449 ND1 HIS A 98 5.596 10.549 -12.369 1.00 0.00 N ATOM 1450 CD2 HIS A 98 4.077 10.973 -10.859 1.00 0.00 C ATOM 1451 CE1 HIS A 98 5.100 11.744 -12.639 1.00 0.00 C ATOM 1452 NE2 HIS A 98 4.176 12.024 -11.737 1.00 0.00 N ATOM 0 H HIS A 98 7.653 8.853 -9.711 1.00 0.00 H new ATOM 0 HA HIS A 98 4.979 9.462 -8.695 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.151 8.275 -11.213 1.00 0.00 H new ATOM 0 HB3 HIS A 98 4.458 8.022 -10.837 1.00 0.00 H new ATOM 0 HD2 HIS A 98 3.409 10.906 -10.013 1.00 0.00 H new ATOM 0 HE1 HIS A 98 5.399 12.383 -13.457 1.00 0.00 H new ATOM 0 HE2 HIS A 98 3.625 12.882 -11.699 1.00 0.00 H new ATOM 1461 N LEU A 99 4.804 7.363 -7.358 1.00 0.00 N ATOM 1462 CA LEU A 99 4.507 6.121 -6.652 1.00 0.00 C ATOM 1463 C LEU A 99 3.039 6.065 -6.242 1.00 0.00 C ATOM 1464 O LEU A 99 2.484 7.045 -5.748 1.00 0.00 O ATOM 1465 CB LEU A 99 5.399 5.988 -5.416 1.00 0.00 C ATOM 1466 CG LEU A 99 5.378 7.168 -4.443 1.00 0.00 C ATOM 1467 CD1 LEU A 99 4.264 6.997 -3.422 1.00 0.00 C ATOM 1468 CD2 LEU A 99 6.724 7.310 -3.748 1.00 0.00 C ATOM 0 H LEU A 99 4.539 8.209 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 99 4.708 5.290 -7.329 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.103 5.090 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.426 5.835 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 99 5.187 8.079 -5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.264 7.846 -2.738 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.304 6.945 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.424 6.077 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.691 8.154 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.945 6.398 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.502 7.479 -4.493 1.00 0.00 H new ATOM 1480 N GLY A 100 2.416 4.909 -6.451 1.00 0.00 N ATOM 1481 CA GLY A 100 1.018 4.745 -6.095 1.00 0.00 C ATOM 1482 C GLY A 100 0.829 4.399 -4.632 1.00 0.00 C ATOM 1483 O GLY A 100 1.758 3.935 -3.972 1.00 0.00 O ATOM 0 H GLY A 100 2.854 4.084 -6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.479 5.665 -6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.579 3.960 -6.710 1.00 0.00 H new ATOM 1487 N ILE A 101 -0.378 4.627 -4.123 1.00 0.00 N ATOM 1488 CA ILE A 101 -0.685 4.337 -2.728 1.00 0.00 C ATOM 1489 C ILE A 101 -2.092 3.768 -2.583 1.00 0.00 C ATOM 1490 O ILE A 101 -2.961 4.012 -3.420 1.00 0.00 O ATOM 1491 CB ILE A 101 -0.559 5.595 -1.850 1.00 0.00 C ATOM 1492 CG1 ILE A 101 0.854 6.174 -1.950 1.00 0.00 C ATOM 1493 CG2 ILE A 101 -0.902 5.269 -0.404 1.00 0.00 C ATOM 1494 CD1 ILE A 101 1.905 5.323 -1.273 1.00 0.00 C ATOM 0 H ILE A 101 -1.158 5.011 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 101 0.041 3.596 -2.392 1.00 0.00 H new ATOM 0 HB ILE A 101 -1.265 6.343 -2.210 1.00 0.00 H new ATOM 0 HG12 ILE A 101 1.116 6.292 -3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 101 0.862 7.169 -1.506 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.808 6.169 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.925 4.898 -0.348 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -0.219 4.506 -0.031 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.882 5.794 -1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 101 1.667 5.225 -0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 101 1.925 4.335 -1.733 1.00 0.00 H new ATOM 1506 N CYS A 102 -2.310 3.010 -1.513 1.00 0.00 N ATOM 1507 CA CYS A 102 -3.613 2.407 -1.256 1.00 0.00 C ATOM 1508 C CYS A 102 -4.166 2.859 0.091 1.00 0.00 C ATOM 1509 O CYS A 102 -3.684 2.439 1.143 1.00 0.00 O ATOM 1510 CB CYS A 102 -3.508 0.882 -1.292 1.00 0.00 C ATOM 1511 SG CYS A 102 -3.784 0.161 -2.927 1.00 0.00 S ATOM 0 H CYS A 102 -1.601 2.799 -0.810 1.00 0.00 H new ATOM 0 HA CYS A 102 -4.298 2.736 -2.038 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.519 0.588 -0.939 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -4.233 0.462 -0.595 1.00 0.00 H new ATOM 0 HG CYS A 102 -5.061 0.082 -3.156 1.00 0.00 H new ATOM 1517 N SER A 103 -5.178 3.719 0.052 1.00 0.00 N ATOM 1518 CA SER A 103 -5.793 4.233 1.270 1.00 0.00 C ATOM 1519 C SER A 103 -6.127 3.097 2.231 1.00 0.00 C ATOM 1520 O SER A 103 -6.945 2.230 1.926 1.00 0.00 O ATOM 1521 CB SER A 103 -7.061 5.021 0.933 1.00 0.00 C ATOM 1522 OG SER A 103 -7.619 5.610 2.096 1.00 0.00 O ATOM 0 H SER A 103 -5.590 4.075 -0.811 1.00 0.00 H new ATOM 0 HA SER A 103 -5.079 4.898 1.756 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.828 5.797 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.792 4.359 0.470 1.00 0.00 H new ATOM 0 HG SER A 103 -8.427 6.109 1.854 1.00 0.00 H new ATOM 1528 N GLY A 104 -5.486 3.108 3.396 1.00 0.00 N ATOM 1529 CA GLY A 104 -5.727 2.074 4.385 1.00 0.00 C ATOM 1530 C GLY A 104 -6.031 2.643 5.757 1.00 0.00 C ATOM 1531 O GLY A 104 -6.454 3.791 5.897 1.00 0.00 O ATOM 0 H GLY A 104 -4.804 3.815 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -6.561 1.452 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.853 1.426 4.449 1.00 0.00 H new ATOM 1535 N PRO A 105 -5.814 1.829 6.801 1.00 0.00 N ATOM 1536 CA PRO A 105 -6.062 2.236 8.187 1.00 0.00 C ATOM 1537 C PRO A 105 -5.064 3.283 8.671 1.00 0.00 C ATOM 1538 O PRO A 105 -4.031 2.948 9.252 1.00 0.00 O ATOM 1539 CB PRO A 105 -5.896 0.934 8.975 1.00 0.00 C ATOM 1540 CG PRO A 105 -4.993 0.097 8.136 1.00 0.00 C ATOM 1541 CD PRO A 105 -5.311 0.448 6.708 1.00 0.00 C ATOM 0 HA PRO A 105 -7.041 2.700 8.306 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.464 1.119 9.959 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.856 0.443 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.947 0.302 8.365 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.159 -0.964 8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.428 0.384 6.072 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.058 -0.224 6.286 1.00 0.00 H new ATOM 1549 N SER A 106 -5.379 4.551 8.428 1.00 0.00 N ATOM 1550 CA SER A 106 -4.508 5.647 8.837 1.00 0.00 C ATOM 1551 C SER A 106 -4.384 5.705 10.356 1.00 0.00 C ATOM 1552 O SER A 106 -5.386 5.763 11.069 1.00 0.00 O ATOM 1553 CB SER A 106 -5.043 6.977 8.305 1.00 0.00 C ATOM 1554 OG SER A 106 -4.665 7.177 6.954 1.00 0.00 O ATOM 0 H SER A 106 -6.231 4.845 7.950 1.00 0.00 H new ATOM 0 HA SER A 106 -3.518 5.468 8.417 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.130 6.994 8.388 1.00 0.00 H new ATOM 0 HB3 SER A 106 -4.664 7.796 8.917 1.00 0.00 H new ATOM 0 HG SER A 106 -5.021 8.034 6.638 1.00 0.00 H new ATOM 1560 N SER A 107 -3.148 5.690 10.844 1.00 0.00 N ATOM 1561 CA SER A 107 -2.892 5.737 12.279 1.00 0.00 C ATOM 1562 C SER A 107 -1.399 5.878 12.560 1.00 0.00 C ATOM 1563 O SER A 107 -0.584 5.112 12.047 1.00 0.00 O ATOM 1564 CB SER A 107 -3.434 4.477 12.957 1.00 0.00 C ATOM 1565 OG SER A 107 -4.801 4.629 13.297 1.00 0.00 O ATOM 0 H SER A 107 -2.308 5.646 10.267 1.00 0.00 H new ATOM 0 HA SER A 107 -3.404 6.609 12.686 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.314 3.622 12.292 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.854 4.265 13.855 1.00 0.00 H new ATOM 0 HG SER A 107 -5.281 5.039 12.548 1.00 0.00 H new ATOM 1571 N GLY A 108 -1.048 6.864 13.381 1.00 0.00 N ATOM 1572 CA GLY A 108 0.346 7.088 13.717 1.00 0.00 C ATOM 1573 C GLY A 108 0.561 8.393 14.457 1.00 0.00 C ATOM 1574 O GLY A 108 0.818 9.428 13.842 1.00 0.00 O ATOM 0 H GLY A 108 -1.704 7.511 13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 108 0.706 6.262 14.331 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.941 7.089 12.804 1.00 0.00 H new TER 1578 GLY A 108