USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 907 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 108 GLN : amide:sc= -2.05 K(o=-1.9,f=-1.1) USER MOD Set 1.2: A 110 SER OG : rot 170:sc= 0.158 USER MOD Set 2.1: A 41 ASN : amide:sc= -0.153 K(o=0.067,f=-3.2!) USER MOD Set 2.2: A 48 SER OG : rot 38:sc= 0.22 USER MOD Set 3.1: A 16 LYS NZ :NH3+ 172:sc= 0.0382 (180deg=-0.0634) USER MOD Set 3.2: A 18 SER OG : rot 180:sc=-0.00204 USER MOD Single : A 1 GLY N :NH3+ 135:sc= 0.0162 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0334 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0164 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -177:sc= 0.0285 (180deg=0.0212) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 22 LYS NZ :NH3+ 164:sc= -0.614 (180deg=-1.12) USER MOD Single : A 24 MET CE :methyl -175:sc= 0 (180deg=-0.0163) USER MOD Single : A 26 GLN : amide:sc= -0.0678 X(o=-0.068,f=-0.0042) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -154:sc= -3.98! USER MOD Single : A 38 SER OG : rot 180:sc=-0.000366 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0687 K(o=-0.069,f=-6.1!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc=-2.2e-05 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.297 K(o=-0.3,f=-1.4) USER MOD Single : A 66 ASN : amide:sc= -0.337 K(o=-0.34,f=-3!) USER MOD Single : A 67 LYS NZ :NH3+ -164:sc=-0.00826 (180deg=-0.217) USER MOD Single : A 72 THR OG1 : rot -152:sc= 1.07 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.022) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 99 LYS NZ :NH3+ -177:sc= -0.387 (180deg=-0.408) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -4.76! C(o=-4.8!,f=-2.2!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0171 X(o=-0.017,f=0.0005) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.117 -6.312 23.752 1.00 0.00 N ATOM 2 CA GLY A 1 -0.466 -4.988 23.638 1.00 0.00 C ATOM 3 C GLY A 1 0.404 -3.916 24.263 1.00 0.00 C ATOM 4 O GLY A 1 1.053 -4.150 25.282 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.613 -6.988 24.053 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.499 -6.604 22.830 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.884 -6.294 24.455 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.626 -4.754 22.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.445 -4.983 24.118 1.00 0.00 H new ATOM 8 N SER A 2 0.419 -2.736 23.650 1.00 0.00 N ATOM 9 CA SER A 2 1.221 -1.625 24.149 1.00 0.00 C ATOM 10 C SER A 2 0.437 -0.318 24.084 1.00 0.00 C ATOM 11 O SER A 2 -0.672 -0.272 23.552 1.00 0.00 O ATOM 12 CB SER A 2 2.514 -1.499 23.342 1.00 0.00 C ATOM 13 OG SER A 2 3.448 -0.662 24.003 1.00 0.00 O ATOM 0 H SER A 2 -0.115 -2.525 22.807 1.00 0.00 H new ATOM 0 HA SER A 2 1.470 -1.827 25.191 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.950 -2.487 23.190 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.292 -1.093 22.355 1.00 0.00 H new ATOM 0 HG SER A 2 4.267 -0.599 23.468 1.00 0.00 H new ATOM 19 N SER A 3 1.023 0.744 24.629 1.00 0.00 N ATOM 20 CA SER A 3 0.380 2.052 24.636 1.00 0.00 C ATOM 21 C SER A 3 0.715 2.830 23.367 1.00 0.00 C ATOM 22 O SER A 3 1.877 3.129 23.097 1.00 0.00 O ATOM 23 CB SER A 3 0.815 2.851 25.867 1.00 0.00 C ATOM 24 OG SER A 3 -0.121 3.870 26.170 1.00 0.00 O ATOM 0 H SER A 3 1.942 0.723 25.071 1.00 0.00 H new ATOM 0 HA SER A 3 -0.699 1.898 24.673 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.918 2.182 26.721 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.795 3.294 25.689 1.00 0.00 H new ATOM 0 HG SER A 3 0.179 4.365 26.961 1.00 0.00 H new ATOM 30 N GLY A 4 -0.315 3.154 22.590 1.00 0.00 N ATOM 31 CA GLY A 4 -0.110 3.893 21.358 1.00 0.00 C ATOM 32 C GLY A 4 0.502 3.040 20.265 1.00 0.00 C ATOM 33 O GLY A 4 1.590 2.490 20.434 1.00 0.00 O ATOM 0 H GLY A 4 -1.287 2.918 22.792 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.065 4.290 21.013 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.538 4.747 21.554 1.00 0.00 H new ATOM 37 N SER A 5 -0.199 2.928 19.141 1.00 0.00 N ATOM 38 CA SER A 5 0.280 2.131 18.018 1.00 0.00 C ATOM 39 C SER A 5 1.407 2.851 17.283 1.00 0.00 C ATOM 40 O SER A 5 1.162 3.669 16.397 1.00 0.00 O ATOM 41 CB SER A 5 -0.867 1.834 17.050 1.00 0.00 C ATOM 42 OG SER A 5 -0.423 1.043 15.961 1.00 0.00 O ATOM 0 H SER A 5 -1.100 3.379 18.984 1.00 0.00 H new ATOM 0 HA SER A 5 0.667 1.191 18.410 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.667 1.315 17.578 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.284 2.770 16.678 1.00 0.00 H new ATOM 0 HG SER A 5 -1.175 0.866 15.358 1.00 0.00 H new ATOM 48 N SER A 6 2.644 2.539 17.658 1.00 0.00 N ATOM 49 CA SER A 6 3.810 3.158 17.038 1.00 0.00 C ATOM 50 C SER A 6 4.152 2.472 15.719 1.00 0.00 C ATOM 51 O SER A 6 3.547 1.465 15.355 1.00 0.00 O ATOM 52 CB SER A 6 5.010 3.096 17.984 1.00 0.00 C ATOM 53 OG SER A 6 6.024 4.000 17.582 1.00 0.00 O ATOM 0 H SER A 6 2.864 1.861 18.388 1.00 0.00 H new ATOM 0 HA SER A 6 3.571 4.202 16.834 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.690 3.332 18.999 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.409 2.082 18.004 1.00 0.00 H new ATOM 0 HG SER A 6 6.779 3.942 18.204 1.00 0.00 H new ATOM 59 N GLY A 7 5.128 3.026 15.006 1.00 0.00 N ATOM 60 CA GLY A 7 5.535 2.456 13.735 1.00 0.00 C ATOM 61 C GLY A 7 4.450 2.556 12.681 1.00 0.00 C ATOM 62 O GLY A 7 3.645 1.638 12.518 1.00 0.00 O ATOM 0 H GLY A 7 5.644 3.860 15.286 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.430 2.968 13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.802 1.409 13.879 1.00 0.00 H new ATOM 66 N LYS A 8 4.425 3.674 11.964 1.00 0.00 N ATOM 67 CA LYS A 8 3.431 3.893 10.920 1.00 0.00 C ATOM 68 C LYS A 8 4.036 3.671 9.538 1.00 0.00 C ATOM 69 O LYS A 8 3.479 4.102 8.528 1.00 0.00 O ATOM 70 CB LYS A 8 2.862 5.310 11.018 1.00 0.00 C ATOM 71 CG LYS A 8 1.465 5.445 10.436 1.00 0.00 C ATOM 72 CD LYS A 8 0.829 6.772 10.816 1.00 0.00 C ATOM 73 CE LYS A 8 0.063 6.669 12.125 1.00 0.00 C ATOM 74 NZ LYS A 8 -0.322 8.008 12.650 1.00 0.00 N ATOM 0 H LYS A 8 5.083 4.444 12.087 1.00 0.00 H new ATOM 0 HA LYS A 8 2.625 3.174 11.064 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.841 5.613 12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.531 5.998 10.500 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.512 5.361 9.350 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.841 4.626 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.602 7.535 10.905 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.154 7.093 10.023 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.833 6.067 11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.675 6.152 12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.842 7.894 13.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.534 8.574 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -0.927 8.492 11.956 1.00 0.00 H new ATOM 88 N VAL A 9 5.180 2.994 9.499 1.00 0.00 N ATOM 89 CA VAL A 9 5.860 2.713 8.240 1.00 0.00 C ATOM 90 C VAL A 9 6.528 1.343 8.270 1.00 0.00 C ATOM 91 O VAL A 9 6.511 0.654 9.290 1.00 0.00 O ATOM 92 CB VAL A 9 6.921 3.783 7.923 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.267 5.141 7.720 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.962 3.844 9.031 1.00 0.00 C ATOM 0 H VAL A 9 5.655 2.630 10.325 1.00 0.00 H new ATOM 0 HA VAL A 9 5.099 2.726 7.460 1.00 0.00 H new ATOM 0 HB VAL A 9 7.424 3.507 6.996 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.033 5.884 7.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.563 5.085 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.736 5.428 8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.704 4.605 8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.476 4.095 9.974 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.453 2.875 9.123 1.00 0.00 H new ATOM 104 N LYS A 10 7.118 0.954 7.145 1.00 0.00 N ATOM 105 CA LYS A 10 7.794 -0.333 7.041 1.00 0.00 C ATOM 106 C LYS A 10 8.765 -0.344 5.865 1.00 0.00 C ATOM 107 O LYS A 10 8.563 0.358 4.874 1.00 0.00 O ATOM 108 CB LYS A 10 6.771 -1.460 6.881 1.00 0.00 C ATOM 109 CG LYS A 10 7.340 -2.842 7.150 1.00 0.00 C ATOM 110 CD LYS A 10 7.229 -3.215 8.619 1.00 0.00 C ATOM 111 CE LYS A 10 7.450 -4.705 8.833 1.00 0.00 C ATOM 112 NZ LYS A 10 7.505 -5.054 10.280 1.00 0.00 N ATOM 0 H LYS A 10 7.142 1.512 6.292 1.00 0.00 H new ATOM 0 HA LYS A 10 8.360 -0.492 7.959 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.937 -1.281 7.560 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.369 -1.433 5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.810 -3.578 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.386 -2.872 6.844 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.962 -2.651 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.245 -2.934 8.994 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.646 -5.264 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.379 -5.008 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.707 -6.069 10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.255 -4.502 10.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.591 -4.836 10.725 1.00 0.00 H new ATOM 126 N SER A 11 9.819 -1.146 5.980 1.00 0.00 N ATOM 127 CA SER A 11 10.823 -1.246 4.927 1.00 0.00 C ATOM 128 C SER A 11 11.509 -2.609 4.958 1.00 0.00 C ATOM 129 O SER A 11 11.764 -3.163 6.026 1.00 0.00 O ATOM 130 CB SER A 11 11.863 -0.135 5.077 1.00 0.00 C ATOM 131 OG SER A 11 12.679 -0.350 6.216 1.00 0.00 O ATOM 0 H SER A 11 10.000 -1.736 6.792 1.00 0.00 H new ATOM 0 HA SER A 11 10.319 -1.134 3.967 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.485 -0.092 4.183 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.361 0.829 5.162 1.00 0.00 H new ATOM 0 HG SER A 11 13.337 0.373 6.288 1.00 0.00 H new ATOM 137 N GLY A 12 11.805 -3.143 3.777 1.00 0.00 N ATOM 138 CA GLY A 12 12.459 -4.435 3.690 1.00 0.00 C ATOM 139 C GLY A 12 12.379 -5.033 2.300 1.00 0.00 C ATOM 140 O GLY A 12 11.378 -4.867 1.602 1.00 0.00 O ATOM 0 H GLY A 12 11.603 -2.704 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.505 -4.329 3.977 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.000 -5.120 4.404 1.00 0.00 H new ATOM 144 N TRP A 13 13.435 -5.729 1.895 1.00 0.00 N ATOM 145 CA TRP A 13 13.480 -6.353 0.577 1.00 0.00 C ATOM 146 C TRP A 13 12.300 -7.298 0.381 1.00 0.00 C ATOM 147 O TRP A 13 12.254 -8.380 0.970 1.00 0.00 O ATOM 148 CB TRP A 13 14.795 -7.113 0.395 1.00 0.00 C ATOM 149 CG TRP A 13 15.978 -6.215 0.199 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.744 -5.643 1.175 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.529 -5.784 -1.050 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.738 -4.883 0.607 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.629 -4.953 -0.756 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.203 -6.020 -2.388 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.400 -4.359 -1.752 1.00 0.00 C ATOM 156 CZ3 TRP A 13 16.969 -5.429 -3.375 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.057 -4.608 -3.053 1.00 0.00 C ATOM 0 H TRP A 13 14.272 -5.876 2.460 1.00 0.00 H new ATOM 0 HA TRP A 13 13.417 -5.565 -0.173 1.00 0.00 H new ATOM 0 HB2 TRP A 13 14.966 -7.742 1.268 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.706 -7.778 -0.464 1.00 0.00 H new ATOM 0 HD1 TRP A 13 16.591 -5.770 2.237 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.443 -4.352 1.118 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.367 -6.653 -2.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.239 -3.724 -1.506 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.724 -5.603 -4.412 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.637 -4.162 -3.848 1.00 0.00 H new ATOM 168 N LEU A 14 11.349 -6.886 -0.448 1.00 0.00 N ATOM 169 CA LEU A 14 10.168 -7.697 -0.722 1.00 0.00 C ATOM 170 C LEU A 14 10.268 -8.360 -2.092 1.00 0.00 C ATOM 171 O LEU A 14 10.559 -7.702 -3.091 1.00 0.00 O ATOM 172 CB LEU A 14 8.905 -6.836 -0.650 1.00 0.00 C ATOM 173 CG LEU A 14 8.426 -6.462 0.753 1.00 0.00 C ATOM 174 CD1 LEU A 14 7.568 -5.208 0.708 1.00 0.00 C ATOM 175 CD2 LEU A 14 7.656 -7.616 1.379 1.00 0.00 C ATOM 0 H LEU A 14 11.372 -5.994 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 14 10.111 -8.478 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.084 -5.917 -1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.099 -7.366 -1.158 1.00 0.00 H new ATOM 0 HG LEU A 14 9.300 -6.257 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.236 -4.958 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.152 -4.382 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.699 -5.384 0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.323 -7.332 2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.790 -7.853 0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.303 -8.490 1.448 1.00 0.00 H new ATOM 187 N ASP A 15 10.023 -9.665 -2.132 1.00 0.00 N ATOM 188 CA ASP A 15 10.082 -10.416 -3.380 1.00 0.00 C ATOM 189 C ASP A 15 8.714 -10.460 -4.054 1.00 0.00 C ATOM 190 O ASP A 15 7.784 -11.094 -3.555 1.00 0.00 O ATOM 191 CB ASP A 15 10.582 -11.838 -3.120 1.00 0.00 C ATOM 192 CG ASP A 15 12.091 -11.948 -3.217 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.623 -11.835 -4.342 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.740 -12.148 -2.169 1.00 0.00 O ATOM 0 H ASP A 15 9.782 -10.225 -1.314 1.00 0.00 H new ATOM 0 HA ASP A 15 10.779 -9.910 -4.048 1.00 0.00 H new ATOM 0 HB2 ASP A 15 10.260 -12.158 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 10.124 -12.518 -3.838 1.00 0.00 H new ATOM 199 N LYS A 16 8.598 -9.780 -5.189 1.00 0.00 N ATOM 200 CA LYS A 16 7.344 -9.740 -5.933 1.00 0.00 C ATOM 201 C LYS A 16 7.405 -10.655 -7.151 1.00 0.00 C ATOM 202 O LYS A 16 8.385 -11.373 -7.353 1.00 0.00 O ATOM 203 CB LYS A 16 7.034 -8.308 -6.373 1.00 0.00 C ATOM 204 CG LYS A 16 7.908 -7.819 -7.514 1.00 0.00 C ATOM 205 CD LYS A 16 7.543 -6.403 -7.929 1.00 0.00 C ATOM 206 CE LYS A 16 6.477 -6.398 -9.014 1.00 0.00 C ATOM 207 NZ LYS A 16 7.073 -6.470 -10.377 1.00 0.00 N ATOM 0 H LYS A 16 9.357 -9.248 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 16 6.549 -10.092 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.989 -8.248 -6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.157 -7.640 -5.520 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.955 -7.852 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.801 -8.488 -8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.183 -5.850 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.433 -5.887 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.805 -7.243 -8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.875 -5.493 -8.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.318 -6.601 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.585 -5.588 -10.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.733 -7.272 -10.425 1.00 0.00 H new ATOM 221 N LEU A 17 6.353 -10.624 -7.962 1.00 0.00 N ATOM 222 CA LEU A 17 6.288 -11.450 -9.163 1.00 0.00 C ATOM 223 C LEU A 17 6.109 -10.588 -10.408 1.00 0.00 C ATOM 224 O LEU A 17 4.985 -10.295 -10.817 1.00 0.00 O ATOM 225 CB LEU A 17 5.138 -12.453 -9.054 1.00 0.00 C ATOM 226 CG LEU A 17 4.882 -13.318 -10.288 1.00 0.00 C ATOM 227 CD1 LEU A 17 5.946 -14.397 -10.414 1.00 0.00 C ATOM 228 CD2 LEU A 17 3.494 -13.939 -10.226 1.00 0.00 C ATOM 0 H LEU A 17 5.534 -10.036 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 17 7.229 -11.993 -9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.336 -13.112 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.225 -11.904 -8.824 1.00 0.00 H new ATOM 0 HG LEU A 17 4.934 -12.681 -11.171 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.747 -15.003 -11.298 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.927 -13.931 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.927 -15.031 -9.528 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.329 -14.551 -11.113 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.413 -14.562 -9.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.744 -13.149 -10.186 1.00 0.00 H new ATOM 240 N SER A 18 7.225 -10.185 -11.008 1.00 0.00 N ATOM 241 CA SER A 18 7.192 -9.355 -12.206 1.00 0.00 C ATOM 242 C SER A 18 6.588 -10.120 -13.380 1.00 0.00 C ATOM 243 O SER A 18 5.572 -9.727 -13.954 1.00 0.00 O ATOM 244 CB SER A 18 8.602 -8.880 -12.562 1.00 0.00 C ATOM 245 OG SER A 18 8.867 -7.606 -12.002 1.00 0.00 O ATOM 0 H SER A 18 8.163 -10.420 -10.684 1.00 0.00 H new ATOM 0 HA SER A 18 6.566 -8.487 -12.000 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.335 -9.600 -12.198 1.00 0.00 H new ATOM 0 HB3 SER A 18 8.711 -8.834 -13.646 1.00 0.00 H new ATOM 0 HG SER A 18 9.775 -7.325 -12.242 1.00 0.00 H new ATOM 251 N PRO A 19 7.229 -11.239 -13.748 1.00 0.00 N ATOM 252 CA PRO A 19 6.774 -12.084 -14.856 1.00 0.00 C ATOM 253 C PRO A 19 5.476 -12.816 -14.533 1.00 0.00 C ATOM 254 O PRO A 19 5.224 -13.171 -13.382 1.00 0.00 O ATOM 255 CB PRO A 19 7.921 -13.082 -15.035 1.00 0.00 C ATOM 256 CG PRO A 19 8.581 -13.143 -13.701 1.00 0.00 C ATOM 257 CD PRO A 19 8.446 -11.767 -13.109 1.00 0.00 C ATOM 0 HA PRO A 19 6.555 -11.500 -15.750 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.550 -14.061 -15.338 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.617 -12.752 -15.806 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.106 -13.890 -13.065 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.629 -13.426 -13.797 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.347 -11.804 -12.024 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.316 -11.148 -13.328 1.00 0.00 H new ATOM 265 N GLN A 20 4.657 -13.038 -15.556 1.00 0.00 N ATOM 266 CA GLN A 20 3.384 -13.728 -15.379 1.00 0.00 C ATOM 267 C GLN A 20 3.506 -15.200 -15.757 1.00 0.00 C ATOM 268 O GLN A 20 2.936 -16.069 -15.099 1.00 0.00 O ATOM 269 CB GLN A 20 2.297 -13.060 -16.222 1.00 0.00 C ATOM 270 CG GLN A 20 2.609 -13.037 -17.710 1.00 0.00 C ATOM 271 CD GLN A 20 1.503 -12.401 -18.528 1.00 0.00 C ATOM 272 OE1 GLN A 20 0.847 -11.459 -18.082 1.00 0.00 O ATOM 273 NE2 GLN A 20 1.289 -12.914 -19.734 1.00 0.00 N ATOM 0 H GLN A 20 4.852 -12.751 -16.515 1.00 0.00 H new ATOM 0 HA GLN A 20 3.107 -13.664 -14.327 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.354 -13.584 -16.065 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.156 -12.037 -15.873 1.00 0.00 H new ATOM 0 HG2 GLN A 20 3.538 -12.490 -17.874 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.773 -14.057 -18.059 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.856 -13.695 -20.064 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.557 -12.527 -20.330 1.00 0.00 H new ATOM 282 N GLY A 21 4.253 -15.473 -16.823 1.00 0.00 N ATOM 283 CA GLY A 21 4.436 -16.841 -17.271 1.00 0.00 C ATOM 284 C GLY A 21 5.011 -17.733 -16.189 1.00 0.00 C ATOM 285 O GLY A 21 4.272 -18.301 -15.383 1.00 0.00 O ATOM 0 H GLY A 21 4.735 -14.771 -17.384 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.478 -17.244 -17.599 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.099 -16.851 -18.136 1.00 0.00 H new ATOM 289 N LYS A 22 6.333 -17.860 -16.170 1.00 0.00 N ATOM 290 CA LYS A 22 7.009 -18.690 -15.179 1.00 0.00 C ATOM 291 C LYS A 22 6.799 -18.138 -13.773 1.00 0.00 C ATOM 292 O LYS A 22 6.388 -16.991 -13.601 1.00 0.00 O ATOM 293 CB LYS A 22 8.505 -18.773 -15.489 1.00 0.00 C ATOM 294 CG LYS A 22 9.214 -19.905 -14.765 1.00 0.00 C ATOM 295 CD LYS A 22 10.407 -20.413 -15.557 1.00 0.00 C ATOM 296 CE LYS A 22 10.010 -21.538 -16.502 1.00 0.00 C ATOM 297 NZ LYS A 22 9.185 -21.042 -17.638 1.00 0.00 N ATOM 0 H LYS A 22 6.959 -17.398 -16.830 1.00 0.00 H new ATOM 0 HA LYS A 22 6.579 -19.691 -15.225 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.638 -18.900 -16.563 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.977 -17.828 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 22 9.546 -19.560 -13.786 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.515 -20.723 -14.594 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.842 -19.593 -16.128 1.00 0.00 H new ATOM 0 HD3 LYS A 22 11.177 -20.767 -14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.907 -22.021 -16.889 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.452 -22.295 -15.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.161 -21.760 -18.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.217 -20.854 -17.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.600 -20.164 -18.011 1.00 0.00 H new ATOM 311 N ARG A 23 7.087 -18.961 -12.770 1.00 0.00 N ATOM 312 CA ARG A 23 6.931 -18.555 -11.379 1.00 0.00 C ATOM 313 C ARG A 23 8.284 -18.236 -10.750 1.00 0.00 C ATOM 314 O ARG A 23 9.064 -19.137 -10.443 1.00 0.00 O ATOM 315 CB ARG A 23 6.231 -19.655 -10.579 1.00 0.00 C ATOM 316 CG ARG A 23 5.410 -19.132 -9.412 1.00 0.00 C ATOM 317 CD ARG A 23 4.234 -20.045 -9.105 1.00 0.00 C ATOM 318 NE ARG A 23 4.665 -21.326 -8.551 1.00 0.00 N ATOM 319 CZ ARG A 23 3.845 -22.348 -8.337 1.00 0.00 C ATOM 320 NH1 ARG A 23 2.556 -22.240 -8.628 1.00 0.00 N ATOM 321 NH2 ARG A 23 4.313 -23.482 -7.830 1.00 0.00 N ATOM 0 H ARG A 23 7.430 -19.913 -12.895 1.00 0.00 H new ATOM 0 HA ARG A 23 6.318 -17.654 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.579 -20.219 -11.246 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.980 -20.351 -10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.044 -19.045 -8.530 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.045 -18.131 -9.642 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.566 -19.551 -8.399 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.662 -20.218 -10.017 1.00 0.00 H new ATOM 0 HE ARG A 23 5.651 -21.442 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.192 -21.370 -9.017 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.928 -23.027 -8.463 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.304 -23.569 -7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.682 -24.266 -7.666 1.00 0.00 H new ATOM 335 N MET A 24 8.555 -16.948 -10.562 1.00 0.00 N ATOM 336 CA MET A 24 9.813 -16.511 -9.969 1.00 0.00 C ATOM 337 C MET A 24 9.576 -15.412 -8.939 1.00 0.00 C ATOM 338 O MET A 24 8.435 -15.037 -8.668 1.00 0.00 O ATOM 339 CB MET A 24 10.767 -16.011 -11.056 1.00 0.00 C ATOM 340 CG MET A 24 10.875 -16.948 -12.248 1.00 0.00 C ATOM 341 SD MET A 24 12.490 -16.871 -13.047 1.00 0.00 S ATOM 342 CE MET A 24 12.010 -16.773 -14.771 1.00 0.00 C ATOM 0 H MET A 24 7.920 -16.190 -10.812 1.00 0.00 H new ATOM 0 HA MET A 24 10.264 -17.365 -9.464 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.430 -15.034 -11.402 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.757 -15.872 -10.623 1.00 0.00 H new ATOM 0 HG2 MET A 24 10.684 -17.970 -11.920 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.102 -16.697 -12.974 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.900 -16.809 -15.399 1.00 0.00 H new ATOM 0 HE2 MET A 24 11.359 -17.612 -15.016 1.00 0.00 H new ATOM 0 HE3 MET A 24 11.478 -15.838 -14.948 1.00 0.00 H new ATOM 352 N PHE A 25 10.661 -14.899 -8.367 1.00 0.00 N ATOM 353 CA PHE A 25 10.570 -13.844 -7.365 1.00 0.00 C ATOM 354 C PHE A 25 11.754 -12.888 -7.474 1.00 0.00 C ATOM 355 O PHE A 25 12.910 -13.305 -7.404 1.00 0.00 O ATOM 356 CB PHE A 25 10.515 -14.448 -5.960 1.00 0.00 C ATOM 357 CG PHE A 25 9.120 -14.749 -5.492 1.00 0.00 C ATOM 358 CD1 PHE A 25 8.224 -13.723 -5.238 1.00 0.00 C ATOM 359 CD2 PHE A 25 8.705 -16.057 -5.306 1.00 0.00 C ATOM 360 CE1 PHE A 25 6.940 -13.997 -4.806 1.00 0.00 C ATOM 361 CE2 PHE A 25 7.422 -16.338 -4.874 1.00 0.00 C ATOM 362 CZ PHE A 25 6.538 -15.306 -4.625 1.00 0.00 C ATOM 0 H PHE A 25 11.613 -15.197 -8.581 1.00 0.00 H new ATOM 0 HA PHE A 25 9.654 -13.283 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.101 -15.367 -5.945 1.00 0.00 H new ATOM 0 HB3 PHE A 25 10.985 -13.759 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.532 -12.698 -5.379 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.392 -16.867 -5.501 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.252 -13.188 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.111 -17.363 -4.731 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.534 -15.522 -4.289 1.00 0.00 H new ATOM 372 N GLN A 26 11.457 -11.604 -7.645 1.00 0.00 N ATOM 373 CA GLN A 26 12.497 -10.588 -7.765 1.00 0.00 C ATOM 374 C GLN A 26 12.671 -9.831 -6.453 1.00 0.00 C ATOM 375 O GLN A 26 11.742 -9.187 -5.967 1.00 0.00 O ATOM 376 CB GLN A 26 12.157 -9.610 -8.891 1.00 0.00 C ATOM 377 CG GLN A 26 13.369 -8.885 -9.453 1.00 0.00 C ATOM 378 CD GLN A 26 14.184 -9.751 -10.393 1.00 0.00 C ATOM 379 OE1 GLN A 26 13.909 -9.814 -11.592 1.00 0.00 O ATOM 380 NE2 GLN A 26 15.193 -10.424 -9.854 1.00 0.00 N ATOM 0 H GLN A 26 10.505 -11.242 -7.704 1.00 0.00 H new ATOM 0 HA GLN A 26 13.435 -11.090 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.663 -10.154 -9.697 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.444 -8.874 -8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 26 13.039 -7.991 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.002 -8.553 -8.630 1.00 0.00 H new ATOM 0 HE21 GLN A 26 15.385 -10.342 -8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.776 -11.023 -10.438 1.00 0.00 H new ATOM 389 N LYS A 27 13.869 -9.913 -5.883 1.00 0.00 N ATOM 390 CA LYS A 27 14.167 -9.235 -4.627 1.00 0.00 C ATOM 391 C LYS A 27 14.436 -7.752 -4.861 1.00 0.00 C ATOM 392 O LYS A 27 15.434 -7.382 -5.480 1.00 0.00 O ATOM 393 CB LYS A 27 15.376 -9.883 -3.949 1.00 0.00 C ATOM 394 CG LYS A 27 15.345 -9.790 -2.433 1.00 0.00 C ATOM 395 CD LYS A 27 16.745 -9.829 -1.843 1.00 0.00 C ATOM 396 CE LYS A 27 17.295 -11.246 -1.806 1.00 0.00 C ATOM 397 NZ LYS A 27 16.878 -11.972 -0.575 1.00 0.00 N ATOM 0 H LYS A 27 14.649 -10.443 -6.271 1.00 0.00 H new ATOM 0 HA LYS A 27 13.298 -9.331 -3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.426 -10.932 -4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.286 -9.407 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.849 -8.867 -2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.756 -10.613 -2.029 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.407 -9.196 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.727 -9.418 -0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.950 -11.792 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.383 -11.214 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.274 -12.934 -0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.229 -11.465 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.840 -12.025 -0.538 1.00 0.00 H new ATOM 411 N ARG A 28 13.541 -6.906 -4.360 1.00 0.00 N ATOM 412 CA ARG A 28 13.683 -5.464 -4.514 1.00 0.00 C ATOM 413 C ARG A 28 13.350 -4.743 -3.211 1.00 0.00 C ATOM 414 O ARG A 28 12.343 -5.037 -2.567 1.00 0.00 O ATOM 415 CB ARG A 28 12.775 -4.957 -5.636 1.00 0.00 C ATOM 416 CG ARG A 28 13.206 -5.413 -7.020 1.00 0.00 C ATOM 417 CD ARG A 28 14.494 -4.732 -7.455 1.00 0.00 C ATOM 418 NE ARG A 28 14.795 -4.979 -8.863 1.00 0.00 N ATOM 419 CZ ARG A 28 14.214 -4.327 -9.864 1.00 0.00 C ATOM 420 NH1 ARG A 28 13.306 -3.394 -9.614 1.00 0.00 N ATOM 421 NH2 ARG A 28 14.542 -4.609 -11.119 1.00 0.00 N ATOM 0 H ARG A 28 12.710 -7.195 -3.844 1.00 0.00 H new ATOM 0 HA ARG A 28 14.721 -5.252 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.757 -5.299 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.755 -3.867 -5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.346 -6.494 -7.021 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.416 -5.194 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.412 -3.659 -7.285 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.319 -5.090 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 28 15.489 -5.691 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.052 -3.175 -8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.862 -2.895 -10.385 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.240 -5.326 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.096 -4.108 -11.888 1.00 0.00 H new ATOM 435 N TRP A 29 14.202 -3.799 -2.829 1.00 0.00 N ATOM 436 CA TRP A 29 13.998 -3.036 -1.602 1.00 0.00 C ATOM 437 C TRP A 29 12.695 -2.248 -1.661 1.00 0.00 C ATOM 438 O TRP A 29 12.377 -1.629 -2.677 1.00 0.00 O ATOM 439 CB TRP A 29 15.173 -2.085 -1.367 1.00 0.00 C ATOM 440 CG TRP A 29 14.933 -1.108 -0.257 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.444 0.162 -0.374 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.175 -1.320 1.139 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.366 0.752 0.865 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.808 -0.136 1.809 1.00 0.00 C ATOM 445 CE3 TRP A 29 15.662 -2.394 1.887 1.00 0.00 C ATOM 446 CZ2 TRP A 29 14.915 0.000 3.191 1.00 0.00 C ATOM 447 CZ3 TRP A 29 15.769 -2.257 3.258 1.00 0.00 C ATOM 448 CH2 TRP A 29 15.396 -1.068 3.898 1.00 0.00 C ATOM 0 H TRP A 29 15.040 -3.543 -3.350 1.00 0.00 H new ATOM 0 HA TRP A 29 13.938 -3.740 -0.772 1.00 0.00 H new ATOM 0 HB2 TRP A 29 16.065 -2.670 -1.140 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.377 -1.536 -2.287 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.160 0.633 -1.303 1.00 0.00 H new ATOM 0 HE1 TRP A 29 14.033 1.698 1.051 1.00 0.00 H new ATOM 0 HE3 TRP A 29 15.950 -3.315 1.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.629 0.916 3.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 16.147 -3.081 3.846 1.00 0.00 H new ATOM 0 HH2 TRP A 29 15.490 -0.993 4.971 1.00 0.00 H new ATOM 459 N VAL A 30 11.942 -2.274 -0.566 1.00 0.00 N ATOM 460 CA VAL A 30 10.672 -1.561 -0.494 1.00 0.00 C ATOM 461 C VAL A 30 10.596 -0.702 0.764 1.00 0.00 C ATOM 462 O VAL A 30 11.063 -1.100 1.831 1.00 0.00 O ATOM 463 CB VAL A 30 9.479 -2.535 -0.510 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.177 -1.789 -0.261 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.426 -3.290 -1.829 1.00 0.00 C ATOM 0 H VAL A 30 12.189 -2.781 0.284 1.00 0.00 H new ATOM 0 HA VAL A 30 10.619 -0.919 -1.374 1.00 0.00 H new ATOM 0 HB VAL A 30 9.614 -3.260 0.293 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.345 -2.494 -0.276 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.219 -1.298 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.032 -1.040 -1.040 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.577 -3.974 -1.823 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.315 -2.581 -2.650 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.348 -3.857 -1.961 1.00 0.00 H new ATOM 475 N LYS A 31 10.002 0.480 0.631 1.00 0.00 N ATOM 476 CA LYS A 31 9.862 1.396 1.756 1.00 0.00 C ATOM 477 C LYS A 31 8.537 2.150 1.681 1.00 0.00 C ATOM 478 O LYS A 31 8.246 2.817 0.688 1.00 0.00 O ATOM 479 CB LYS A 31 11.025 2.390 1.779 1.00 0.00 C ATOM 480 CG LYS A 31 11.019 3.306 2.990 1.00 0.00 C ATOM 481 CD LYS A 31 11.647 4.653 2.674 1.00 0.00 C ATOM 482 CE LYS A 31 11.119 5.744 3.593 1.00 0.00 C ATOM 483 NZ LYS A 31 11.936 6.986 3.507 1.00 0.00 N ATOM 0 H LYS A 31 9.610 0.825 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 31 9.876 0.809 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.964 1.838 1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.991 2.997 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.994 3.453 3.331 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.563 2.833 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.730 4.583 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.440 4.918 1.637 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.085 5.970 3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.115 5.382 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.544 7.705 4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.917 6.776 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.919 7.346 2.531 1.00 0.00 H new ATOM 497 N PHE A 32 7.739 2.040 2.738 1.00 0.00 N ATOM 498 CA PHE A 32 6.446 2.712 2.792 1.00 0.00 C ATOM 499 C PHE A 32 6.511 3.945 3.688 1.00 0.00 C ATOM 500 O PHE A 32 6.935 3.867 4.841 1.00 0.00 O ATOM 501 CB PHE A 32 5.370 1.752 3.305 1.00 0.00 C ATOM 502 CG PHE A 32 3.993 2.350 3.325 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.487 2.994 2.207 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.204 2.269 4.461 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.220 3.547 2.223 1.00 0.00 C ATOM 506 CE2 PHE A 32 1.936 2.819 4.483 1.00 0.00 C ATOM 507 CZ PHE A 32 1.443 3.458 3.362 1.00 0.00 C ATOM 0 H PHE A 32 7.965 1.492 3.568 1.00 0.00 H new ATOM 0 HA PHE A 32 6.188 3.031 1.782 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.361 0.860 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.632 1.430 4.313 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.089 3.065 1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.584 1.770 5.340 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.838 4.048 1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.332 2.749 5.375 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.452 3.887 3.376 1.00 0.00 H new ATOM 517 N ASP A 33 6.089 5.083 3.148 1.00 0.00 N ATOM 518 CA ASP A 33 6.098 6.335 3.897 1.00 0.00 C ATOM 519 C ASP A 33 4.676 6.805 4.186 1.00 0.00 C ATOM 520 O ASP A 33 4.449 7.975 4.494 1.00 0.00 O ATOM 521 CB ASP A 33 6.857 7.412 3.121 1.00 0.00 C ATOM 522 CG ASP A 33 7.103 8.658 3.950 1.00 0.00 C ATOM 523 OD1 ASP A 33 7.926 8.594 4.886 1.00 0.00 O ATOM 524 OD2 ASP A 33 6.471 9.696 3.663 1.00 0.00 O ATOM 0 H ASP A 33 5.736 5.165 2.194 1.00 0.00 H new ATOM 0 HA ASP A 33 6.603 6.159 4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.812 7.008 2.785 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.292 7.679 2.228 1.00 0.00 H new ATOM 529 N GLY A 34 3.721 5.886 4.084 1.00 0.00 N ATOM 530 CA GLY A 34 2.333 6.226 4.337 1.00 0.00 C ATOM 531 C GLY A 34 1.608 6.671 3.082 1.00 0.00 C ATOM 532 O GLY A 34 0.504 6.205 2.796 1.00 0.00 O ATOM 0 H GLY A 34 3.884 4.912 3.831 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.822 5.362 4.761 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.287 7.021 5.081 1.00 0.00 H new ATOM 536 N LEU A 35 2.227 7.575 2.332 1.00 0.00 N ATOM 537 CA LEU A 35 1.632 8.085 1.101 1.00 0.00 C ATOM 538 C LEU A 35 1.653 7.023 0.006 1.00 0.00 C ATOM 539 O LEU A 35 0.609 6.636 -0.518 1.00 0.00 O ATOM 540 CB LEU A 35 2.378 9.334 0.630 1.00 0.00 C ATOM 541 CG LEU A 35 2.107 10.615 1.420 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.209 11.635 1.177 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.750 11.195 1.047 1.00 0.00 C ATOM 0 H LEU A 35 3.141 7.970 2.554 1.00 0.00 H new ATOM 0 HA LEU A 35 0.594 8.346 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.448 9.129 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.122 9.514 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 35 2.095 10.369 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.999 12.540 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.166 11.220 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.253 11.877 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.574 12.106 1.619 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.733 11.426 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.031 10.469 1.273 1.00 0.00 H new ATOM 555 N SER A 36 2.850 6.555 -0.334 1.00 0.00 N ATOM 556 CA SER A 36 3.008 5.539 -1.368 1.00 0.00 C ATOM 557 C SER A 36 4.141 4.579 -1.018 1.00 0.00 C ATOM 558 O SER A 36 4.903 4.817 -0.080 1.00 0.00 O ATOM 559 CB SER A 36 3.281 6.197 -2.722 1.00 0.00 C ATOM 560 OG SER A 36 4.338 7.135 -2.629 1.00 0.00 O ATOM 0 H SER A 36 3.724 6.863 0.092 1.00 0.00 H new ATOM 0 HA SER A 36 2.080 4.971 -1.429 1.00 0.00 H new ATOM 0 HB2 SER A 36 3.533 5.433 -3.457 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.379 6.695 -3.076 1.00 0.00 H new ATOM 0 HG SER A 36 4.236 7.813 -3.329 1.00 0.00 H new ATOM 566 N ILE A 37 4.247 3.495 -1.780 1.00 0.00 N ATOM 567 CA ILE A 37 5.287 2.500 -1.552 1.00 0.00 C ATOM 568 C ILE A 37 6.427 2.658 -2.552 1.00 0.00 C ATOM 569 O ILE A 37 6.291 2.305 -3.724 1.00 0.00 O ATOM 570 CB ILE A 37 4.728 1.069 -1.648 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.619 0.860 -0.615 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.841 0.051 -1.452 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.626 -0.213 -1.003 1.00 0.00 C ATOM 0 H ILE A 37 3.625 3.284 -2.560 1.00 0.00 H new ATOM 0 HA ILE A 37 5.666 2.665 -0.544 1.00 0.00 H new ATOM 0 HB ILE A 37 4.304 0.927 -2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.070 0.597 0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.087 1.800 -0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.430 -0.956 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.599 0.188 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.293 0.190 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.869 -0.307 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.147 0.057 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.145 -1.164 -1.120 1.00 0.00 H new ATOM 585 N SER A 38 7.551 3.189 -2.082 1.00 0.00 N ATOM 586 CA SER A 38 8.715 3.395 -2.936 1.00 0.00 C ATOM 587 C SER A 38 9.669 2.207 -2.850 1.00 0.00 C ATOM 588 O SER A 38 10.142 1.854 -1.770 1.00 0.00 O ATOM 589 CB SER A 38 9.444 4.679 -2.539 1.00 0.00 C ATOM 590 OG SER A 38 8.659 5.823 -2.830 1.00 0.00 O ATOM 0 H SER A 38 7.680 3.484 -1.114 1.00 0.00 H new ATOM 0 HA SER A 38 8.368 3.486 -3.965 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.676 4.655 -1.474 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.393 4.741 -3.071 1.00 0.00 H new ATOM 0 HG SER A 38 9.147 6.631 -2.565 1.00 0.00 H new ATOM 596 N TYR A 39 9.947 1.596 -3.996 1.00 0.00 N ATOM 597 CA TYR A 39 10.842 0.446 -4.052 1.00 0.00 C ATOM 598 C TYR A 39 11.896 0.629 -5.140 1.00 0.00 C ATOM 599 O TYR A 39 11.574 0.939 -6.287 1.00 0.00 O ATOM 600 CB TYR A 39 10.046 -0.835 -4.307 1.00 0.00 C ATOM 601 CG TYR A 39 9.468 -0.921 -5.701 1.00 0.00 C ATOM 602 CD1 TYR A 39 8.256 -0.315 -6.010 1.00 0.00 C ATOM 603 CD2 TYR A 39 10.132 -1.608 -6.709 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.723 -0.391 -7.282 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.607 -1.688 -7.985 1.00 0.00 C ATOM 606 CZ TYR A 39 8.402 -1.079 -8.266 1.00 0.00 C ATOM 607 OH TYR A 39 7.876 -1.157 -9.535 1.00 0.00 O ATOM 0 H TYR A 39 9.566 1.878 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 39 11.349 0.365 -3.090 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.694 -1.695 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.235 -0.899 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.722 0.225 -5.242 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.075 -2.088 -6.492 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.780 0.086 -7.505 1.00 0.00 H new ATOM 0 HE2 TYR A 39 10.137 -2.224 -8.758 1.00 0.00 H new ATOM 0 HH TYR A 39 8.479 -1.676 -10.108 1.00 0.00 H new ATOM 617 N TYR A 40 13.157 0.433 -4.771 1.00 0.00 N ATOM 618 CA TYR A 40 14.260 0.577 -5.714 1.00 0.00 C ATOM 619 C TYR A 40 14.934 -0.767 -5.974 1.00 0.00 C ATOM 620 O TYR A 40 14.541 -1.789 -5.414 1.00 0.00 O ATOM 621 CB TYR A 40 15.286 1.580 -5.181 1.00 0.00 C ATOM 622 CG TYR A 40 14.668 2.856 -4.656 1.00 0.00 C ATOM 623 CD1 TYR A 40 14.177 2.931 -3.359 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.578 3.988 -5.457 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.611 4.095 -2.876 1.00 0.00 C ATOM 626 CE2 TYR A 40 14.016 5.157 -4.982 1.00 0.00 C ATOM 627 CZ TYR A 40 13.533 5.205 -3.690 1.00 0.00 C ATOM 628 OH TYR A 40 12.972 6.367 -3.212 1.00 0.00 O ATOM 0 H TYR A 40 13.441 0.174 -3.826 1.00 0.00 H new ATOM 0 HA TYR A 40 13.854 0.947 -6.655 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.861 1.110 -4.383 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.988 1.827 -5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 40 14.239 2.065 -2.717 1.00 0.00 H new ATOM 0 HD2 TYR A 40 14.954 3.953 -6.469 1.00 0.00 H new ATOM 0 HE1 TYR A 40 13.231 4.135 -1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 40 13.955 6.028 -5.618 1.00 0.00 H new ATOM 0 HH TYR A 40 12.996 7.053 -3.911 1.00 0.00 H new ATOM 638 N ASN A 41 15.952 -0.755 -6.828 1.00 0.00 N ATOM 639 CA ASN A 41 16.682 -1.972 -7.163 1.00 0.00 C ATOM 640 C ASN A 41 18.090 -1.941 -6.577 1.00 0.00 C ATOM 641 O ASN A 41 18.564 -0.898 -6.129 1.00 0.00 O ATOM 642 CB ASN A 41 16.753 -2.147 -8.681 1.00 0.00 C ATOM 643 CG ASN A 41 17.302 -0.919 -9.380 1.00 0.00 C ATOM 644 OD1 ASN A 41 16.584 -0.228 -10.103 1.00 0.00 O ATOM 645 ND2 ASN A 41 18.583 -0.640 -9.167 1.00 0.00 N ATOM 0 H ASN A 41 16.290 0.083 -7.300 1.00 0.00 H new ATOM 0 HA ASN A 41 16.147 -2.818 -6.731 1.00 0.00 H new ATOM 0 HB2 ASN A 41 17.381 -3.006 -8.916 1.00 0.00 H new ATOM 0 HB3 ASN A 41 15.757 -2.366 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 41 19.008 0.174 -9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 41 19.142 -1.240 -8.560 1.00 0.00 H new ATOM 652 N ASN A 42 18.755 -3.093 -6.586 1.00 0.00 N ATOM 653 CA ASN A 42 20.109 -3.197 -6.055 1.00 0.00 C ATOM 654 C ASN A 42 21.086 -2.377 -6.892 1.00 0.00 C ATOM 655 O ASN A 42 20.718 -1.825 -7.928 1.00 0.00 O ATOM 656 CB ASN A 42 20.553 -4.661 -6.020 1.00 0.00 C ATOM 657 CG ASN A 42 20.429 -5.335 -7.373 1.00 0.00 C ATOM 658 OD1 ASN A 42 19.510 -5.048 -8.140 1.00 0.00 O ATOM 659 ND2 ASN A 42 21.356 -6.238 -7.671 1.00 0.00 N ATOM 0 H ASN A 42 18.378 -3.966 -6.955 1.00 0.00 H new ATOM 0 HA ASN A 42 20.107 -2.800 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 42 21.588 -4.716 -5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.951 -5.203 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 42 21.324 -6.725 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 42 22.100 -6.444 -7.004 1.00 0.00 H new ATOM 666 N GLU A 43 22.332 -2.305 -6.435 1.00 0.00 N ATOM 667 CA GLU A 43 23.362 -1.552 -7.142 1.00 0.00 C ATOM 668 C GLU A 43 23.437 -1.976 -8.606 1.00 0.00 C ATOM 669 O GLU A 43 23.773 -3.119 -8.917 1.00 0.00 O ATOM 670 CB GLU A 43 24.722 -1.752 -6.471 1.00 0.00 C ATOM 671 CG GLU A 43 24.811 -1.142 -5.082 1.00 0.00 C ATOM 672 CD GLU A 43 26.168 -1.352 -4.439 1.00 0.00 C ATOM 673 OE1 GLU A 43 26.494 -2.510 -4.105 1.00 0.00 O ATOM 674 OE2 GLU A 43 26.904 -0.357 -4.270 1.00 0.00 O ATOM 0 H GLU A 43 22.653 -2.758 -5.579 1.00 0.00 H new ATOM 0 HA GLU A 43 23.097 -0.496 -7.101 1.00 0.00 H new ATOM 0 HB2 GLU A 43 24.931 -2.820 -6.404 1.00 0.00 H new ATOM 0 HB3 GLU A 43 25.496 -1.315 -7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 43 24.604 -0.074 -5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 43 24.041 -1.579 -4.447 1.00 0.00 H new ATOM 681 N LYS A 44 23.121 -1.048 -9.502 1.00 0.00 N ATOM 682 CA LYS A 44 23.153 -1.323 -10.934 1.00 0.00 C ATOM 683 C LYS A 44 23.532 -0.072 -11.720 1.00 0.00 C ATOM 684 O LYS A 44 23.304 1.049 -11.267 1.00 0.00 O ATOM 685 CB LYS A 44 21.793 -1.841 -11.405 1.00 0.00 C ATOM 686 CG LYS A 44 21.467 -3.238 -10.904 1.00 0.00 C ATOM 687 CD LYS A 44 20.368 -3.885 -11.730 1.00 0.00 C ATOM 688 CE LYS A 44 20.938 -4.655 -12.911 1.00 0.00 C ATOM 689 NZ LYS A 44 21.300 -6.051 -12.540 1.00 0.00 N ATOM 0 H LYS A 44 22.839 -0.097 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 44 23.909 -2.087 -11.115 1.00 0.00 H new ATOM 0 HB2 LYS A 44 21.016 -1.154 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 44 21.771 -1.841 -12.495 1.00 0.00 H new ATOM 0 HG2 LYS A 44 22.363 -3.857 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 44 21.157 -3.188 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 44 19.788 -4.560 -11.101 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.683 -3.118 -12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 44 20.208 -4.672 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 44 21.821 -4.139 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 21.685 -6.543 -13.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 22.016 -6.035 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 20.453 -6.551 -12.203 1.00 0.00 H new ATOM 703 N GLU A 45 24.110 -0.272 -12.900 1.00 0.00 N ATOM 704 CA GLU A 45 24.519 0.841 -13.749 1.00 0.00 C ATOM 705 C GLU A 45 23.504 1.978 -13.681 1.00 0.00 C ATOM 706 O GLU A 45 23.872 3.146 -13.553 1.00 0.00 O ATOM 707 CB GLU A 45 24.683 0.374 -15.197 1.00 0.00 C ATOM 708 CG GLU A 45 23.405 -0.176 -15.807 1.00 0.00 C ATOM 709 CD GLU A 45 23.671 -1.227 -16.868 1.00 0.00 C ATOM 710 OE1 GLU A 45 24.279 -0.885 -17.903 1.00 0.00 O ATOM 711 OE2 GLU A 45 23.269 -2.392 -16.661 1.00 0.00 O ATOM 0 H GLU A 45 24.306 -1.194 -13.290 1.00 0.00 H new ATOM 0 HA GLU A 45 25.477 1.210 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 45 25.034 1.210 -15.802 1.00 0.00 H new ATOM 0 HB3 GLU A 45 25.455 -0.395 -15.237 1.00 0.00 H new ATOM 0 HG2 GLU A 45 22.787 -0.608 -15.020 1.00 0.00 H new ATOM 0 HG3 GLU A 45 22.835 0.642 -16.246 1.00 0.00 H new ATOM 718 N MET A 46 22.225 1.628 -13.769 1.00 0.00 N ATOM 719 CA MET A 46 21.157 2.619 -13.717 1.00 0.00 C ATOM 720 C MET A 46 20.046 2.172 -12.771 1.00 0.00 C ATOM 721 O MET A 46 20.080 1.062 -12.240 1.00 0.00 O ATOM 722 CB MET A 46 20.586 2.858 -15.116 1.00 0.00 C ATOM 723 CG MET A 46 21.357 3.893 -15.918 1.00 0.00 C ATOM 724 SD MET A 46 22.941 3.272 -16.513 1.00 0.00 S ATOM 725 CE MET A 46 23.165 4.268 -17.984 1.00 0.00 C ATOM 0 H MET A 46 21.903 0.666 -13.877 1.00 0.00 H new ATOM 0 HA MET A 46 21.578 3.551 -13.340 1.00 0.00 H new ATOM 0 HB2 MET A 46 20.582 1.916 -15.664 1.00 0.00 H new ATOM 0 HB3 MET A 46 19.548 3.179 -15.026 1.00 0.00 H new ATOM 0 HG2 MET A 46 20.754 4.211 -16.768 1.00 0.00 H new ATOM 0 HG3 MET A 46 21.526 4.774 -15.299 1.00 0.00 H new ATOM 0 HE1 MET A 46 24.105 4.000 -18.465 1.00 0.00 H new ATOM 0 HE2 MET A 46 22.340 4.089 -18.674 1.00 0.00 H new ATOM 0 HE3 MET A 46 23.186 5.323 -17.710 1.00 0.00 H new ATOM 735 N TYR A 47 19.064 3.043 -12.566 1.00 0.00 N ATOM 736 CA TYR A 47 17.945 2.738 -11.682 1.00 0.00 C ATOM 737 C TYR A 47 16.615 2.910 -12.409 1.00 0.00 C ATOM 738 O TYR A 47 16.438 3.844 -13.191 1.00 0.00 O ATOM 739 CB TYR A 47 17.984 3.639 -10.446 1.00 0.00 C ATOM 740 CG TYR A 47 18.963 3.177 -9.391 1.00 0.00 C ATOM 741 CD1 TYR A 47 20.334 3.280 -9.593 1.00 0.00 C ATOM 742 CD2 TYR A 47 18.517 2.638 -8.190 1.00 0.00 C ATOM 743 CE1 TYR A 47 21.231 2.859 -8.632 1.00 0.00 C ATOM 744 CE2 TYR A 47 19.407 2.215 -7.223 1.00 0.00 C ATOM 745 CZ TYR A 47 20.764 2.327 -7.448 1.00 0.00 C ATOM 746 OH TYR A 47 21.655 1.907 -6.487 1.00 0.00 O ATOM 0 H TYR A 47 19.020 3.965 -13.000 1.00 0.00 H new ATOM 0 HA TYR A 47 18.035 1.698 -11.368 1.00 0.00 H new ATOM 0 HB2 TYR A 47 18.245 4.652 -10.753 1.00 0.00 H new ATOM 0 HB3 TYR A 47 16.987 3.685 -10.009 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.704 3.697 -10.518 1.00 0.00 H new ATOM 0 HD2 TYR A 47 17.456 2.549 -8.010 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.293 2.946 -8.806 1.00 0.00 H new ATOM 0 HE2 TYR A 47 19.043 1.799 -6.295 1.00 0.00 H new ATOM 0 HH TYR A 47 21.163 1.559 -5.714 1.00 0.00 H new ATOM 756 N SER A 48 15.682 2.001 -12.144 1.00 0.00 N ATOM 757 CA SER A 48 14.367 2.049 -12.774 1.00 0.00 C ATOM 758 C SER A 48 13.300 2.480 -11.772 1.00 0.00 C ATOM 759 O SER A 48 13.090 1.826 -10.751 1.00 0.00 O ATOM 760 CB SER A 48 14.010 0.682 -13.360 1.00 0.00 C ATOM 761 OG SER A 48 14.137 -0.340 -12.387 1.00 0.00 O ATOM 0 H SER A 48 15.812 1.223 -11.498 1.00 0.00 H new ATOM 0 HA SER A 48 14.403 2.784 -13.578 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.989 0.701 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.661 0.465 -14.207 1.00 0.00 H new ATOM 0 HG SER A 48 13.830 -0.005 -11.519 1.00 0.00 H new ATOM 767 N LYS A 49 12.628 3.586 -12.073 1.00 0.00 N ATOM 768 CA LYS A 49 11.581 4.106 -11.202 1.00 0.00 C ATOM 769 C LYS A 49 10.549 3.028 -10.887 1.00 0.00 C ATOM 770 O LYS A 49 10.351 2.098 -11.668 1.00 0.00 O ATOM 771 CB LYS A 49 10.895 5.308 -11.856 1.00 0.00 C ATOM 772 CG LYS A 49 10.263 4.990 -13.200 1.00 0.00 C ATOM 773 CD LYS A 49 11.248 5.187 -14.340 1.00 0.00 C ATOM 774 CE LYS A 49 10.536 5.551 -15.634 1.00 0.00 C ATOM 775 NZ LYS A 49 10.260 7.011 -15.724 1.00 0.00 N ATOM 0 H LYS A 49 12.790 4.140 -12.914 1.00 0.00 H new ATOM 0 HA LYS A 49 12.045 4.424 -10.268 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.126 5.688 -11.183 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.626 6.106 -11.987 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.906 3.960 -13.201 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.394 5.629 -13.355 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.956 5.974 -14.079 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.825 4.274 -14.485 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.147 5.244 -16.483 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.598 4.999 -15.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.774 7.218 -16.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.656 7.300 -14.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 11.157 7.537 -15.687 1.00 0.00 H new ATOM 789 N GLY A 50 9.894 3.159 -9.737 1.00 0.00 N ATOM 790 CA GLY A 50 8.890 2.190 -9.341 1.00 0.00 C ATOM 791 C GLY A 50 8.242 2.536 -8.015 1.00 0.00 C ATOM 792 O GLY A 50 8.879 2.452 -6.965 1.00 0.00 O ATOM 0 H GLY A 50 10.041 3.919 -9.073 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.122 2.131 -10.113 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.349 1.204 -9.271 1.00 0.00 H new ATOM 796 N ILE A 51 6.973 2.926 -8.063 1.00 0.00 N ATOM 797 CA ILE A 51 6.239 3.287 -6.856 1.00 0.00 C ATOM 798 C ILE A 51 4.754 2.971 -7.001 1.00 0.00 C ATOM 799 O ILE A 51 4.207 3.000 -8.104 1.00 0.00 O ATOM 800 CB ILE A 51 6.404 4.781 -6.522 1.00 0.00 C ATOM 801 CG1 ILE A 51 5.952 5.058 -5.087 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.615 5.634 -7.505 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.150 6.495 -4.658 1.00 0.00 C ATOM 0 H ILE A 51 6.432 3.000 -8.924 1.00 0.00 H new ATOM 0 HA ILE A 51 6.657 2.693 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 51 7.459 5.043 -6.608 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.897 4.801 -4.991 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.502 4.406 -4.409 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.742 6.688 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.979 5.454 -8.517 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.558 5.372 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.808 6.618 -3.630 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.208 6.751 -4.722 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.577 7.152 -5.312 1.00 0.00 H new ATOM 815 N ILE A 52 4.107 2.670 -5.880 1.00 0.00 N ATOM 816 CA ILE A 52 2.685 2.351 -5.881 1.00 0.00 C ATOM 817 C ILE A 52 1.908 3.300 -4.975 1.00 0.00 C ATOM 818 O ILE A 52 2.090 3.323 -3.757 1.00 0.00 O ATOM 819 CB ILE A 52 2.432 0.902 -5.426 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.235 -0.074 -6.288 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.947 0.577 -5.493 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.511 -1.396 -5.607 1.00 0.00 C ATOM 0 H ILE A 52 4.545 2.640 -4.959 1.00 0.00 H new ATOM 0 HA ILE A 52 2.337 2.466 -6.908 1.00 0.00 H new ATOM 0 HB ILE A 52 2.760 0.799 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.692 -0.259 -7.215 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.183 0.390 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.784 -0.451 -5.168 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.396 1.255 -4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.595 0.694 -6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.084 -2.038 -6.277 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.081 -1.223 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.567 -1.882 -5.359 1.00 0.00 H new ATOM 834 N PRO A 53 1.018 4.101 -5.580 1.00 0.00 N ATOM 835 CA PRO A 53 0.194 5.065 -4.845 1.00 0.00 C ATOM 836 C PRO A 53 -0.861 4.385 -3.980 1.00 0.00 C ATOM 837 O PRO A 53 -1.530 3.448 -4.419 1.00 0.00 O ATOM 838 CB PRO A 53 -0.472 5.881 -5.956 1.00 0.00 C ATOM 839 CG PRO A 53 -0.490 4.972 -7.136 1.00 0.00 C ATOM 840 CD PRO A 53 0.749 4.127 -7.027 1.00 0.00 C ATOM 0 HA PRO A 53 0.787 5.664 -4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.481 6.184 -5.674 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.087 6.792 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.386 4.352 -7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.494 5.540 -8.066 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.588 3.125 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.581 4.560 -7.583 1.00 0.00 H new ATOM 848 N LEU A 54 -1.006 4.861 -2.748 1.00 0.00 N ATOM 849 CA LEU A 54 -1.981 4.299 -1.820 1.00 0.00 C ATOM 850 C LEU A 54 -3.371 4.261 -2.447 1.00 0.00 C ATOM 851 O LEU A 54 -4.156 3.350 -2.186 1.00 0.00 O ATOM 852 CB LEU A 54 -2.015 5.116 -0.527 1.00 0.00 C ATOM 853 CG LEU A 54 -3.070 4.705 0.500 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.511 3.657 1.450 1.00 0.00 C ATOM 855 CD2 LEU A 54 -3.564 5.919 1.272 1.00 0.00 C ATOM 0 H LEU A 54 -0.461 5.635 -2.369 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.678 3.278 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.034 5.053 -0.055 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.178 6.162 -0.786 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.916 4.269 -0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.276 3.377 2.174 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.208 2.777 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.647 4.065 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.314 5.607 1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.727 6.385 1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.005 6.636 0.579 1.00 0.00 H new ATOM 867 N SER A 55 -3.668 5.257 -3.276 1.00 0.00 N ATOM 868 CA SER A 55 -4.964 5.339 -3.940 1.00 0.00 C ATOM 869 C SER A 55 -5.217 4.098 -4.792 1.00 0.00 C ATOM 870 O SER A 55 -6.335 3.587 -4.846 1.00 0.00 O ATOM 871 CB SER A 55 -5.036 6.594 -4.812 1.00 0.00 C ATOM 872 OG SER A 55 -4.111 6.523 -5.884 1.00 0.00 O ATOM 0 H SER A 55 -3.029 6.018 -3.504 1.00 0.00 H new ATOM 0 HA SER A 55 -5.735 5.395 -3.172 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.046 6.710 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.827 7.475 -4.205 1.00 0.00 H new ATOM 0 HG SER A 55 -4.177 7.336 -6.428 1.00 0.00 H new ATOM 878 N ALA A 56 -4.170 3.621 -5.456 1.00 0.00 N ATOM 879 CA ALA A 56 -4.278 2.440 -6.304 1.00 0.00 C ATOM 880 C ALA A 56 -4.710 1.221 -5.496 1.00 0.00 C ATOM 881 O ALA A 56 -5.557 0.443 -5.935 1.00 0.00 O ATOM 882 CB ALA A 56 -2.953 2.169 -7.002 1.00 0.00 C ATOM 0 H ALA A 56 -3.238 4.034 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.041 2.633 -7.058 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.048 1.284 -7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.685 3.027 -7.619 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.176 2.001 -6.256 1.00 0.00 H new ATOM 888 N ILE A 57 -4.123 1.062 -4.315 1.00 0.00 N ATOM 889 CA ILE A 57 -4.449 -0.062 -3.446 1.00 0.00 C ATOM 890 C ILE A 57 -5.938 -0.088 -3.115 1.00 0.00 C ATOM 891 O ILE A 57 -6.415 0.696 -2.295 1.00 0.00 O ATOM 892 CB ILE A 57 -3.644 -0.012 -2.134 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.143 -0.011 -2.431 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.012 -1.187 -1.241 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.303 0.533 -1.297 1.00 0.00 C ATOM 0 H ILE A 57 -3.419 1.697 -3.938 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.184 -0.968 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.892 0.910 -1.608 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.824 -1.029 -2.652 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.958 0.583 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.435 -1.137 -0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.076 -1.146 -1.006 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.790 -2.121 -1.758 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.250 0.504 -1.577 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.595 1.563 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.458 -0.075 -0.405 1.00 0.00 H new ATOM 907 N SER A 58 -6.665 -0.996 -3.757 1.00 0.00 N ATOM 908 CA SER A 58 -8.101 -1.123 -3.532 1.00 0.00 C ATOM 909 C SER A 58 -8.384 -1.948 -2.281 1.00 0.00 C ATOM 910 O SER A 58 -9.127 -1.522 -1.396 1.00 0.00 O ATOM 911 CB SER A 58 -8.773 -1.769 -4.745 1.00 0.00 C ATOM 912 OG SER A 58 -10.184 -1.739 -4.623 1.00 0.00 O ATOM 0 H SER A 58 -6.284 -1.654 -4.437 1.00 0.00 H new ATOM 0 HA SER A 58 -8.511 -0.123 -3.387 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.472 -1.246 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.435 -2.801 -4.845 1.00 0.00 H new ATOM 0 HG SER A 58 -10.589 -2.156 -5.412 1.00 0.00 H new ATOM 918 N THR A 59 -7.785 -3.133 -2.212 1.00 0.00 N ATOM 919 CA THR A 59 -7.972 -4.019 -1.071 1.00 0.00 C ATOM 920 C THR A 59 -6.770 -4.937 -0.884 1.00 0.00 C ATOM 921 O THR A 59 -6.051 -5.237 -1.837 1.00 0.00 O ATOM 922 CB THR A 59 -9.240 -4.879 -1.229 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.586 -5.478 0.024 1.00 0.00 O ATOM 924 CG2 THR A 59 -9.031 -5.964 -2.275 1.00 0.00 C ATOM 0 H THR A 59 -7.166 -3.501 -2.934 1.00 0.00 H new ATOM 0 HA THR A 59 -8.080 -3.383 -0.192 1.00 0.00 H new ATOM 0 HB THR A 59 -10.053 -4.231 -1.557 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.394 -6.021 -0.085 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.940 -6.559 -2.369 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.797 -5.504 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.206 -6.608 -1.971 1.00 0.00 H new ATOM 932 N VAL A 60 -6.556 -5.381 0.351 1.00 0.00 N ATOM 933 CA VAL A 60 -5.441 -6.267 0.662 1.00 0.00 C ATOM 934 C VAL A 60 -5.924 -7.537 1.353 1.00 0.00 C ATOM 935 O VAL A 60 -6.813 -7.493 2.204 1.00 0.00 O ATOM 936 CB VAL A 60 -4.404 -5.569 1.562 1.00 0.00 C ATOM 937 CG1 VAL A 60 -3.183 -6.456 1.757 1.00 0.00 C ATOM 938 CG2 VAL A 60 -4.007 -4.224 0.972 1.00 0.00 C ATOM 0 H VAL A 60 -7.140 -5.141 1.152 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.971 -6.529 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.855 -5.393 2.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.461 -5.946 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.485 -7.392 2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.727 -6.665 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.274 -3.744 1.620 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.574 -4.374 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.889 -3.589 0.889 1.00 0.00 H new ATOM 948 N ARG A 61 -5.333 -8.668 0.983 1.00 0.00 N ATOM 949 CA ARG A 61 -5.703 -9.952 1.567 1.00 0.00 C ATOM 950 C ARG A 61 -4.472 -10.825 1.785 1.00 0.00 C ATOM 951 O ARG A 61 -3.488 -10.726 1.051 1.00 0.00 O ATOM 952 CB ARG A 61 -6.703 -10.677 0.664 1.00 0.00 C ATOM 953 CG ARG A 61 -6.302 -10.689 -0.802 1.00 0.00 C ATOM 954 CD ARG A 61 -7.420 -11.225 -1.682 1.00 0.00 C ATOM 955 NE ARG A 61 -7.559 -12.675 -1.568 1.00 0.00 N ATOM 956 CZ ARG A 61 -8.682 -13.330 -1.842 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.758 -12.667 -2.244 1.00 0.00 N ATOM 958 NH2 ARG A 61 -8.730 -14.649 -1.714 1.00 0.00 N ATOM 0 H ARG A 61 -4.595 -8.722 0.281 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.168 -9.763 2.534 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.814 -11.705 1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.679 -10.201 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.042 -9.678 -1.117 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.410 -11.302 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.360 -10.748 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.222 -10.960 -2.721 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.749 -13.214 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.724 -11.652 -2.343 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.619 -13.172 -2.454 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.904 -15.162 -1.405 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.593 -15.151 -1.925 1.00 0.00 H new ATOM 972 N VAL A 62 -4.532 -11.681 2.801 1.00 0.00 N ATOM 973 CA VAL A 62 -3.423 -12.573 3.117 1.00 0.00 C ATOM 974 C VAL A 62 -3.257 -13.644 2.045 1.00 0.00 C ATOM 975 O VAL A 62 -4.227 -14.054 1.408 1.00 0.00 O ATOM 976 CB VAL A 62 -3.623 -13.255 4.483 1.00 0.00 C ATOM 977 CG1 VAL A 62 -3.702 -12.217 5.592 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.870 -14.126 4.466 1.00 0.00 C ATOM 0 H VAL A 62 -5.338 -11.775 3.419 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.523 -11.959 3.155 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.763 -13.896 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.843 -12.718 6.550 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.777 -11.640 5.617 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.542 -11.548 5.405 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.996 -14.600 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.742 -13.509 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.767 -14.894 3.699 1.00 0.00 H new ATOM 988 N GLN A 63 -2.021 -14.094 1.852 1.00 0.00 N ATOM 989 CA GLN A 63 -1.729 -15.118 0.856 1.00 0.00 C ATOM 990 C GLN A 63 -0.864 -16.225 1.452 1.00 0.00 C ATOM 991 O GLN A 63 0.037 -15.962 2.247 1.00 0.00 O ATOM 992 CB GLN A 63 -1.024 -14.499 -0.352 1.00 0.00 C ATOM 993 CG GLN A 63 -1.979 -13.939 -1.393 1.00 0.00 C ATOM 994 CD GLN A 63 -2.692 -15.025 -2.175 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.622 -15.658 -1.674 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.259 -15.246 -3.410 1.00 0.00 N ATOM 0 H GLN A 63 -1.207 -13.766 2.372 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.674 -15.554 0.532 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.366 -13.701 -0.008 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.392 -15.254 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.718 -13.307 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.425 -13.303 -2.084 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.485 -14.698 -3.785 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.700 -15.964 -3.984 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.147 -17.464 1.062 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.387 -18.592 1.568 1.00 0.00 C ATOM 1007 C GLY A 64 -0.106 -18.483 3.054 1.00 0.00 C ATOM 1008 O GLY A 64 -1.031 -18.437 3.865 1.00 0.00 O ATOM 0 H GLY A 64 -1.889 -17.707 0.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.936 -19.513 1.372 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.557 -18.662 1.027 1.00 0.00 H new ATOM 1012 N ASP A 65 1.172 -18.444 3.412 1.00 0.00 N ATOM 1013 CA ASP A 65 1.572 -18.340 4.810 1.00 0.00 C ATOM 1014 C ASP A 65 2.336 -17.044 5.062 1.00 0.00 C ATOM 1015 O ASP A 65 1.985 -16.267 5.949 1.00 0.00 O ATOM 1016 CB ASP A 65 2.434 -19.540 5.207 1.00 0.00 C ATOM 1017 CG ASP A 65 1.671 -20.848 5.139 1.00 0.00 C ATOM 1018 OD1 ASP A 65 0.936 -21.157 6.101 1.00 0.00 O ATOM 1019 OD2 ASP A 65 1.808 -21.563 4.125 1.00 0.00 O ATOM 0 H ASP A 65 1.950 -18.483 2.753 1.00 0.00 H new ATOM 0 HA ASP A 65 0.669 -18.333 5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.301 -19.594 4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.810 -19.394 6.220 1.00 0.00 H new ATOM 1024 N ASN A 66 3.383 -16.818 4.276 1.00 0.00 N ATOM 1025 CA ASN A 66 4.199 -15.616 4.415 1.00 0.00 C ATOM 1026 C ASN A 66 4.102 -14.746 3.166 1.00 0.00 C ATOM 1027 O ASN A 66 5.113 -14.276 2.643 1.00 0.00 O ATOM 1028 CB ASN A 66 5.658 -15.993 4.677 1.00 0.00 C ATOM 1029 CG ASN A 66 5.794 -17.108 5.695 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.893 -17.341 6.501 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.925 -17.804 5.663 1.00 0.00 N ATOM 0 H ASN A 66 3.687 -17.451 3.536 1.00 0.00 H new ATOM 0 HA ASN A 66 3.821 -15.045 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.124 -16.301 3.741 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.199 -15.115 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.073 -18.567 6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.645 -17.576 4.977 1.00 0.00 H new ATOM 1038 N LYS A 67 2.879 -14.534 2.692 1.00 0.00 N ATOM 1039 CA LYS A 67 2.648 -13.718 1.505 1.00 0.00 C ATOM 1040 C LYS A 67 1.311 -12.991 1.596 1.00 0.00 C ATOM 1041 O LYS A 67 0.506 -13.261 2.488 1.00 0.00 O ATOM 1042 CB LYS A 67 2.682 -14.590 0.248 1.00 0.00 C ATOM 1043 CG LYS A 67 4.087 -14.901 -0.239 1.00 0.00 C ATOM 1044 CD LYS A 67 4.067 -15.591 -1.593 1.00 0.00 C ATOM 1045 CE LYS A 67 3.520 -17.007 -1.489 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.426 -17.896 -0.711 1.00 0.00 N ATOM 0 H LYS A 67 2.032 -14.916 3.112 1.00 0.00 H new ATOM 0 HA LYS A 67 3.442 -12.974 1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.161 -15.526 0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.134 -14.087 -0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.662 -13.978 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.593 -15.537 0.487 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.456 -15.014 -2.288 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.076 -15.619 -2.003 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.539 -16.983 -1.014 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.380 -17.417 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.172 -18.889 -0.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.410 -17.733 -1.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.330 -17.687 0.303 1.00 0.00 H new ATOM 1060 N PHE A 68 1.080 -12.068 0.669 1.00 0.00 N ATOM 1061 CA PHE A 68 -0.161 -11.302 0.644 1.00 0.00 C ATOM 1062 C PHE A 68 -0.426 -10.741 -0.749 1.00 0.00 C ATOM 1063 O PHE A 68 0.498 -10.550 -1.539 1.00 0.00 O ATOM 1064 CB PHE A 68 -0.101 -10.162 1.663 1.00 0.00 C ATOM 1065 CG PHE A 68 1.061 -9.232 1.454 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.320 -9.558 1.930 1.00 0.00 C ATOM 1067 CD2 PHE A 68 0.892 -8.032 0.781 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.391 -8.705 1.740 1.00 0.00 C ATOM 1069 CE2 PHE A 68 1.959 -7.176 0.587 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.210 -7.511 1.068 1.00 0.00 C ATOM 0 H PHE A 68 1.736 -11.832 -0.075 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.979 -11.973 0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.028 -9.590 1.612 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.042 -10.585 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.467 -10.490 2.456 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.084 -7.763 0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.368 -8.971 2.116 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.815 -6.245 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.044 -6.842 0.919 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.696 -10.480 -1.044 1.00 0.00 N ATOM 1081 CA GLU A 69 -2.083 -9.942 -2.343 1.00 0.00 C ATOM 1082 C GLU A 69 -2.502 -8.480 -2.223 1.00 0.00 C ATOM 1083 O GLU A 69 -3.408 -8.142 -1.461 1.00 0.00 O ATOM 1084 CB GLU A 69 -3.228 -10.764 -2.939 1.00 0.00 C ATOM 1085 CG GLU A 69 -3.240 -10.779 -4.458 1.00 0.00 C ATOM 1086 CD GLU A 69 -4.460 -11.478 -5.026 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -5.589 -11.056 -4.701 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -4.285 -12.447 -5.794 1.00 0.00 O ATOM 0 H GLU A 69 -2.473 -10.632 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.219 -10.002 -3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.156 -11.789 -2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.176 -10.364 -2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.208 -9.754 -4.828 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.340 -11.276 -4.820 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.834 -7.616 -2.981 1.00 0.00 N ATOM 1096 CA VAL A 70 -2.136 -6.189 -2.962 1.00 0.00 C ATOM 1097 C VAL A 70 -2.883 -5.768 -4.222 1.00 0.00 C ATOM 1098 O VAL A 70 -2.274 -5.517 -5.263 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.853 -5.346 -2.832 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -1.173 -3.864 -2.960 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -0.156 -5.638 -1.512 1.00 0.00 C ATOM 0 H VAL A 70 -1.080 -7.879 -3.616 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.769 -6.011 -2.093 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.176 -5.618 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.255 -3.284 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.625 -3.672 -3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.869 -3.573 -2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.748 -5.034 -1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.824 -5.395 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.108 -6.694 -1.466 1.00 0.00 H new ATOM 1111 N VAL A 71 -4.206 -5.692 -4.122 1.00 0.00 N ATOM 1112 CA VAL A 71 -5.037 -5.300 -5.254 1.00 0.00 C ATOM 1113 C VAL A 71 -4.801 -3.841 -5.629 1.00 0.00 C ATOM 1114 O VAL A 71 -4.658 -2.980 -4.760 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.533 -5.505 -4.950 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.381 -5.113 -6.150 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.801 -6.947 -4.545 1.00 0.00 C ATOM 0 H VAL A 71 -4.726 -5.897 -3.268 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.754 -5.938 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.808 -4.860 -4.116 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.435 -5.265 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.210 -4.063 -6.389 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -7.107 -5.730 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.863 -7.074 -4.334 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.510 -7.613 -5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.222 -7.188 -3.653 1.00 0.00 H new ATOM 1127 N THR A 72 -4.763 -3.569 -6.930 1.00 0.00 N ATOM 1128 CA THR A 72 -4.544 -2.214 -7.421 1.00 0.00 C ATOM 1129 C THR A 72 -5.345 -1.954 -8.692 1.00 0.00 C ATOM 1130 O THR A 72 -5.892 -2.878 -9.294 1.00 0.00 O ATOM 1131 CB THR A 72 -3.053 -1.954 -7.705 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.538 -2.961 -8.582 1.00 0.00 O ATOM 1133 CG2 THR A 72 -2.250 -1.940 -6.413 1.00 0.00 C ATOM 0 H THR A 72 -4.881 -4.269 -7.662 1.00 0.00 H new ATOM 0 HA THR A 72 -4.881 -1.535 -6.637 1.00 0.00 H new ATOM 0 HB THR A 72 -2.962 -0.978 -8.181 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.580 -3.083 -8.414 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.200 -1.755 -6.639 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.625 -1.152 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.349 -2.903 -5.913 1.00 0.00 H new ATOM 1141 N THR A 73 -5.410 -0.689 -9.097 1.00 0.00 N ATOM 1142 CA THR A 73 -6.144 -0.307 -10.296 1.00 0.00 C ATOM 1143 C THR A 73 -5.554 -0.969 -11.536 1.00 0.00 C ATOM 1144 O THR A 73 -6.229 -1.737 -12.221 1.00 0.00 O ATOM 1145 CB THR A 73 -6.143 1.220 -10.493 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.627 1.867 -9.311 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.006 1.614 -11.682 1.00 0.00 C ATOM 0 H THR A 73 -4.963 0.088 -8.611 1.00 0.00 H new ATOM 0 HA THR A 73 -7.171 -0.647 -10.160 1.00 0.00 H new ATOM 0 HB THR A 73 -5.119 1.538 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.622 2.838 -9.444 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.989 2.697 -11.801 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.617 1.144 -12.585 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.031 1.283 -11.513 1.00 0.00 H new ATOM 1155 N GLN A 74 -4.291 -0.666 -11.818 1.00 0.00 N ATOM 1156 CA GLN A 74 -3.611 -1.232 -12.977 1.00 0.00 C ATOM 1157 C GLN A 74 -3.735 -2.752 -12.992 1.00 0.00 C ATOM 1158 O GLN A 74 -4.348 -3.325 -13.892 1.00 0.00 O ATOM 1159 CB GLN A 74 -2.135 -0.829 -12.976 1.00 0.00 C ATOM 1160 CG GLN A 74 -1.890 0.586 -13.477 1.00 0.00 C ATOM 1161 CD GLN A 74 -0.419 0.951 -13.497 1.00 0.00 C ATOM 1162 OE1 GLN A 74 0.155 1.204 -14.556 1.00 0.00 O ATOM 1163 NE2 GLN A 74 0.200 0.981 -12.322 1.00 0.00 N ATOM 0 H GLN A 74 -3.718 -0.032 -11.260 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.087 -0.838 -13.875 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.743 -0.920 -11.963 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.576 -1.528 -13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.299 0.688 -14.482 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.427 1.290 -12.842 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.315 0.764 -11.469 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.190 1.221 -12.273 1.00 0.00 H new ATOM 1172 N ARG A 75 -3.148 -3.398 -11.990 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.191 -4.852 -11.889 1.00 0.00 C ATOM 1174 C ARG A 75 -2.648 -5.320 -10.543 1.00 0.00 C ATOM 1175 O ARG A 75 -1.496 -5.052 -10.198 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.387 -5.488 -13.025 1.00 0.00 C ATOM 1177 CG ARG A 75 -0.936 -5.037 -13.070 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.363 -5.144 -14.475 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.623 -3.944 -15.265 1.00 0.00 N ATOM 1180 CZ ARG A 75 -0.387 -3.858 -16.570 1.00 0.00 C ATOM 1181 NH1 ARG A 75 0.110 -4.897 -17.227 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -0.650 -2.732 -17.220 1.00 0.00 N ATOM 0 H ARG A 75 -2.637 -2.938 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.232 -5.166 -11.970 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.419 -6.572 -12.919 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.863 -5.247 -13.975 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.863 -4.006 -12.724 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.343 -5.645 -12.387 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.712 -5.313 -14.416 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.795 -6.009 -14.978 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.007 -3.127 -14.789 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.312 -5.765 -16.731 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.290 -4.828 -18.229 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.034 -1.931 -16.718 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.468 -2.667 -18.222 1.00 0.00 H new ATOM 1196 N THR A 76 -3.485 -6.021 -9.784 1.00 0.00 N ATOM 1197 CA THR A 76 -3.089 -6.525 -8.475 1.00 0.00 C ATOM 1198 C THR A 76 -1.650 -7.027 -8.490 1.00 0.00 C ATOM 1199 O THR A 76 -1.157 -7.499 -9.515 1.00 0.00 O ATOM 1200 CB THR A 76 -4.014 -7.667 -8.010 1.00 0.00 C ATOM 1201 OG1 THR A 76 -5.367 -7.203 -7.939 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.581 -8.193 -6.649 1.00 0.00 C ATOM 0 H THR A 76 -4.441 -6.252 -10.054 1.00 0.00 H new ATOM 0 HA THR A 76 -3.172 -5.692 -7.777 1.00 0.00 H new ATOM 0 HB THR A 76 -3.946 -8.479 -8.734 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.949 -7.935 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.248 -8.998 -6.341 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.561 -8.571 -6.713 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.624 -7.387 -5.917 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.980 -6.923 -7.347 1.00 0.00 N ATOM 1211 CA PHE A 77 0.405 -7.366 -7.230 1.00 0.00 C ATOM 1212 C PHE A 77 0.555 -8.388 -6.107 1.00 0.00 C ATOM 1213 O PHE A 77 -0.256 -8.435 -5.182 1.00 0.00 O ATOM 1214 CB PHE A 77 1.325 -6.171 -6.973 1.00 0.00 C ATOM 1215 CG PHE A 77 1.365 -5.191 -8.111 1.00 0.00 C ATOM 1216 CD1 PHE A 77 2.220 -5.388 -9.183 1.00 0.00 C ATOM 1217 CD2 PHE A 77 0.548 -4.071 -8.107 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.259 -4.487 -10.230 1.00 0.00 C ATOM 1219 CE2 PHE A 77 0.583 -3.167 -9.152 1.00 0.00 C ATOM 1220 CZ PHE A 77 1.439 -3.376 -10.215 1.00 0.00 C ATOM 0 H PHE A 77 -1.373 -6.536 -6.489 1.00 0.00 H new ATOM 0 HA PHE A 77 0.690 -7.839 -8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.995 -5.655 -6.071 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.335 -6.534 -6.781 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.863 -6.255 -9.201 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.123 -3.903 -7.278 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.931 -4.652 -11.060 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.058 -2.298 -9.137 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.467 -2.672 -11.033 1.00 0.00 H new ATOM 1230 N VAL A 78 1.599 -9.207 -6.196 1.00 0.00 N ATOM 1231 CA VAL A 78 1.857 -10.228 -5.188 1.00 0.00 C ATOM 1232 C VAL A 78 3.244 -10.060 -4.578 1.00 0.00 C ATOM 1233 O VAL A 78 4.257 -10.245 -5.252 1.00 0.00 O ATOM 1234 CB VAL A 78 1.737 -11.645 -5.781 1.00 0.00 C ATOM 1235 CG1 VAL A 78 2.052 -12.694 -4.726 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.350 -11.862 -6.365 1.00 0.00 C ATOM 0 H VAL A 78 2.279 -9.183 -6.956 1.00 0.00 H new ATOM 0 HA VAL A 78 1.104 -10.103 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 78 2.464 -11.746 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.962 -13.688 -5.163 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.069 -12.549 -4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.351 -12.598 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.283 -12.868 -6.779 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.398 -11.742 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.169 -11.132 -7.154 1.00 0.00 H new ATOM 1246 N PHE A 79 3.282 -9.709 -3.297 1.00 0.00 N ATOM 1247 CA PHE A 79 4.545 -9.515 -2.595 1.00 0.00 C ATOM 1248 C PHE A 79 4.786 -10.636 -1.588 1.00 0.00 C ATOM 1249 O PHE A 79 3.850 -11.314 -1.163 1.00 0.00 O ATOM 1250 CB PHE A 79 4.553 -8.162 -1.879 1.00 0.00 C ATOM 1251 CG PHE A 79 4.716 -6.994 -2.808 1.00 0.00 C ATOM 1252 CD1 PHE A 79 5.906 -6.792 -3.488 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.678 -6.096 -3.002 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.059 -5.718 -4.344 1.00 0.00 C ATOM 1255 CE2 PHE A 79 3.825 -5.020 -3.857 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.018 -4.830 -4.528 1.00 0.00 C ATOM 0 H PHE A 79 2.453 -9.553 -2.724 1.00 0.00 H new ATOM 0 HA PHE A 79 5.347 -9.533 -3.332 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.622 -8.048 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.362 -8.151 -1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.724 -7.483 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.744 -6.239 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.992 -5.573 -4.869 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.008 -4.328 -4.001 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.136 -3.989 -5.195 1.00 0.00 H new ATOM 1266 N ARG A 80 6.047 -10.826 -1.213 1.00 0.00 N ATOM 1267 CA ARG A 80 6.411 -11.866 -0.259 1.00 0.00 C ATOM 1268 C ARG A 80 7.349 -11.317 0.812 1.00 0.00 C ATOM 1269 O ARG A 80 8.229 -10.506 0.525 1.00 0.00 O ATOM 1270 CB ARG A 80 7.076 -13.040 -0.981 1.00 0.00 C ATOM 1271 CG ARG A 80 7.666 -14.078 -0.040 1.00 0.00 C ATOM 1272 CD ARG A 80 8.272 -15.244 -0.806 1.00 0.00 C ATOM 1273 NE ARG A 80 9.315 -14.808 -1.730 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.018 -15.640 -2.491 1.00 0.00 C ATOM 1275 NH1 ARG A 80 9.789 -16.945 -2.438 1.00 0.00 N ATOM 1276 NH2 ARG A 80 10.951 -15.167 -3.308 1.00 0.00 N ATOM 0 H ARG A 80 6.833 -10.273 -1.555 1.00 0.00 H new ATOM 0 HA ARG A 80 5.499 -12.215 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.341 -13.522 -1.626 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.866 -12.658 -1.628 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.431 -13.613 0.582 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.889 -14.446 0.631 1.00 0.00 H new ATOM 0 HD2 ARG A 80 8.689 -15.963 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.488 -15.760 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 80 9.515 -13.810 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.072 -17.312 -1.812 1.00 0.00 H new ATOM 0 HH12 ARG A 80 10.330 -17.582 -3.023 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.129 -14.164 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 80 11.490 -15.807 -3.892 1.00 0.00 H new ATOM 1290 N VAL A 81 7.153 -11.764 2.049 1.00 0.00 N ATOM 1291 CA VAL A 81 7.981 -11.318 3.163 1.00 0.00 C ATOM 1292 C VAL A 81 8.977 -12.396 3.573 1.00 0.00 C ATOM 1293 O VAL A 81 8.967 -13.502 3.034 1.00 0.00 O ATOM 1294 CB VAL A 81 7.122 -10.937 4.383 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.285 -9.702 4.083 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.237 -12.103 4.796 1.00 0.00 C ATOM 0 H VAL A 81 6.428 -12.435 2.304 1.00 0.00 H new ATOM 0 HA VAL A 81 8.524 -10.437 2.821 1.00 0.00 H new ATOM 0 HB VAL A 81 7.787 -10.703 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.685 -9.448 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.942 -8.867 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.627 -9.905 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.637 -11.816 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.579 -12.371 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.860 -12.959 5.055 1.00 0.00 H new ATOM 1306 N GLU A 82 9.837 -12.066 4.532 1.00 0.00 N ATOM 1307 CA GLU A 82 10.841 -13.007 5.015 1.00 0.00 C ATOM 1308 C GLU A 82 10.377 -13.685 6.301 1.00 0.00 C ATOM 1309 O GLU A 82 10.900 -14.730 6.690 1.00 0.00 O ATOM 1310 CB GLU A 82 12.171 -12.290 5.255 1.00 0.00 C ATOM 1311 CG GLU A 82 13.056 -12.221 4.022 1.00 0.00 C ATOM 1312 CD GLU A 82 14.531 -12.139 4.367 1.00 0.00 C ATOM 1313 OE1 GLU A 82 15.074 -13.136 4.888 1.00 0.00 O ATOM 1314 OE2 GLU A 82 15.141 -11.079 4.116 1.00 0.00 O ATOM 0 H GLU A 82 9.858 -11.155 4.989 1.00 0.00 H new ATOM 0 HA GLU A 82 10.982 -13.772 4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.970 -11.277 5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.711 -12.801 6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.880 -13.101 3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.777 -11.351 3.427 1.00 0.00 H new ATOM 1321 N LYS A 83 9.391 -13.084 6.957 1.00 0.00 N ATOM 1322 CA LYS A 83 8.854 -13.628 8.199 1.00 0.00 C ATOM 1323 C LYS A 83 7.334 -13.508 8.233 1.00 0.00 C ATOM 1324 O LYS A 83 6.768 -12.531 7.744 1.00 0.00 O ATOM 1325 CB LYS A 83 9.460 -12.902 9.402 1.00 0.00 C ATOM 1326 CG LYS A 83 10.824 -13.432 9.808 1.00 0.00 C ATOM 1327 CD LYS A 83 11.311 -12.791 11.097 1.00 0.00 C ATOM 1328 CE LYS A 83 12.218 -13.729 11.879 1.00 0.00 C ATOM 1329 NZ LYS A 83 13.621 -13.686 11.382 1.00 0.00 N ATOM 0 H LYS A 83 8.947 -12.219 6.649 1.00 0.00 H new ATOM 0 HA LYS A 83 9.119 -14.684 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.546 -11.841 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.779 -12.988 10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.772 -14.513 9.936 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.542 -13.239 9.011 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.849 -11.871 10.866 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.455 -12.514 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.198 -13.457 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.837 -14.748 11.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.207 -14.339 11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.644 -13.970 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.993 -12.719 11.476 1.00 0.00 H new ATOM 1343 N GLU A 84 6.679 -14.508 8.816 1.00 0.00 N ATOM 1344 CA GLU A 84 5.224 -14.513 8.914 1.00 0.00 C ATOM 1345 C GLU A 84 4.718 -13.227 9.560 1.00 0.00 C ATOM 1346 O GLU A 84 3.716 -12.657 9.129 1.00 0.00 O ATOM 1347 CB GLU A 84 4.749 -15.723 9.720 1.00 0.00 C ATOM 1348 CG GLU A 84 3.240 -15.902 9.718 1.00 0.00 C ATOM 1349 CD GLU A 84 2.812 -17.255 10.253 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.912 -17.467 11.480 1.00 0.00 O ATOM 1351 OE2 GLU A 84 2.377 -18.102 9.445 1.00 0.00 O ATOM 0 H GLU A 84 7.133 -15.324 9.227 1.00 0.00 H new ATOM 0 HA GLU A 84 4.818 -14.576 7.905 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.214 -16.623 9.316 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.093 -15.621 10.749 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.784 -15.116 10.321 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.865 -15.782 8.702 1.00 0.00 H new ATOM 1358 N GLU A 85 5.418 -12.776 10.596 1.00 0.00 N ATOM 1359 CA GLU A 85 5.039 -11.558 11.303 1.00 0.00 C ATOM 1360 C GLU A 85 4.969 -10.373 10.344 1.00 0.00 C ATOM 1361 O GLU A 85 3.972 -9.654 10.303 1.00 0.00 O ATOM 1362 CB GLU A 85 6.035 -11.262 12.426 1.00 0.00 C ATOM 1363 CG GLU A 85 5.774 -12.056 13.695 1.00 0.00 C ATOM 1364 CD GLU A 85 6.946 -12.018 14.657 1.00 0.00 C ATOM 1365 OE1 GLU A 85 7.833 -12.889 14.546 1.00 0.00 O ATOM 1366 OE2 GLU A 85 6.974 -11.117 15.522 1.00 0.00 O ATOM 0 H GLU A 85 6.251 -13.236 10.964 1.00 0.00 H new ATOM 0 HA GLU A 85 4.051 -11.712 11.736 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.043 -11.479 12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.001 -10.198 12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.888 -11.660 14.191 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.557 -13.092 13.433 1.00 0.00 H new ATOM 1373 N GLU A 86 6.037 -10.176 9.577 1.00 0.00 N ATOM 1374 CA GLU A 86 6.097 -9.077 8.620 1.00 0.00 C ATOM 1375 C GLU A 86 4.823 -9.015 7.782 1.00 0.00 C ATOM 1376 O GLU A 86 4.316 -7.934 7.485 1.00 0.00 O ATOM 1377 CB GLU A 86 7.315 -9.233 7.707 1.00 0.00 C ATOM 1378 CG GLU A 86 8.592 -8.654 8.291 1.00 0.00 C ATOM 1379 CD GLU A 86 9.694 -8.511 7.259 1.00 0.00 C ATOM 1380 OE1 GLU A 86 10.414 -9.503 7.019 1.00 0.00 O ATOM 1381 OE2 GLU A 86 9.835 -7.408 6.691 1.00 0.00 O ATOM 0 H GLU A 86 6.871 -10.762 9.600 1.00 0.00 H new ATOM 0 HA GLU A 86 6.188 -8.146 9.179 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.469 -10.292 7.498 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.108 -8.747 6.754 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.378 -7.678 8.726 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.939 -9.295 9.101 1.00 0.00 H new ATOM 1388 N ARG A 87 4.313 -10.183 7.404 1.00 0.00 N ATOM 1389 CA ARG A 87 3.101 -10.261 6.599 1.00 0.00 C ATOM 1390 C ARG A 87 1.991 -9.405 7.201 1.00 0.00 C ATOM 1391 O ARG A 87 1.520 -8.454 6.579 1.00 0.00 O ATOM 1392 CB ARG A 87 2.633 -11.714 6.483 1.00 0.00 C ATOM 1393 CG ARG A 87 1.862 -12.006 5.207 1.00 0.00 C ATOM 1394 CD ARG A 87 0.381 -11.701 5.368 1.00 0.00 C ATOM 1395 NE ARG A 87 -0.170 -12.296 6.583 1.00 0.00 N ATOM 1396 CZ ARG A 87 -0.448 -13.589 6.708 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.226 -14.418 5.698 1.00 0.00 N ATOM 1398 NH2 ARG A 87 -0.948 -14.055 7.845 1.00 0.00 N ATOM 0 H ARG A 87 4.720 -11.087 7.642 1.00 0.00 H new ATOM 0 HA ARG A 87 3.331 -9.879 5.604 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.501 -12.371 6.531 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.004 -11.954 7.340 1.00 0.00 H new ATOM 0 HG2 ARG A 87 2.270 -11.411 4.390 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.991 -13.053 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.234 -10.621 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.163 -12.076 4.501 1.00 0.00 H new ATOM 0 HE ARG A 87 -0.351 -11.685 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.159 -14.064 4.822 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.440 -15.410 5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -1.120 -13.420 8.625 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.161 -15.048 7.939 1.00 0.00 H new ATOM 1412 N ASN A 88 1.578 -9.750 8.417 1.00 0.00 N ATOM 1413 CA ASN A 88 0.523 -9.014 9.104 1.00 0.00 C ATOM 1414 C ASN A 88 0.874 -7.533 9.209 1.00 0.00 C ATOM 1415 O ASN A 88 0.064 -6.667 8.878 1.00 0.00 O ATOM 1416 CB ASN A 88 0.292 -9.596 10.500 1.00 0.00 C ATOM 1417 CG ASN A 88 -0.111 -11.057 10.457 1.00 0.00 C ATOM 1418 OD1 ASN A 88 -1.292 -11.383 10.335 1.00 0.00 O ATOM 1419 ND2 ASN A 88 0.871 -11.945 10.559 1.00 0.00 N ATOM 0 H ASN A 88 1.958 -10.535 8.946 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.393 -9.112 8.522 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.202 -9.490 11.090 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.484 -9.022 11.006 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.661 -12.943 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.836 -11.629 10.659 1.00 0.00 H new ATOM 1426 N ASP A 89 2.086 -7.249 9.673 1.00 0.00 N ATOM 1427 CA ASP A 89 2.546 -5.873 9.821 1.00 0.00 C ATOM 1428 C ASP A 89 2.218 -5.054 8.577 1.00 0.00 C ATOM 1429 O ASP A 89 1.420 -4.118 8.630 1.00 0.00 O ATOM 1430 CB ASP A 89 4.052 -5.842 10.086 1.00 0.00 C ATOM 1431 CG ASP A 89 4.394 -6.174 11.525 1.00 0.00 C ATOM 1432 OD1 ASP A 89 4.149 -7.325 11.942 1.00 0.00 O ATOM 1433 OD2 ASP A 89 4.906 -5.282 12.234 1.00 0.00 O ATOM 0 H ASP A 89 2.768 -7.954 9.953 1.00 0.00 H new ATOM 0 HA ASP A 89 2.027 -5.431 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.549 -6.552 9.425 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.441 -4.853 9.842 1.00 0.00 H new ATOM 1438 N TRP A 90 2.840 -5.412 7.459 1.00 0.00 N ATOM 1439 CA TRP A 90 2.615 -4.709 6.201 1.00 0.00 C ATOM 1440 C TRP A 90 1.129 -4.447 5.982 1.00 0.00 C ATOM 1441 O TRP A 90 0.706 -3.300 5.835 1.00 0.00 O ATOM 1442 CB TRP A 90 3.180 -5.518 5.032 1.00 0.00 C ATOM 1443 CG TRP A 90 4.652 -5.318 4.829 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.654 -6.166 5.206 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.286 -4.198 4.203 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.873 -5.641 4.852 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.675 -4.434 4.234 1.00 0.00 C ATOM 1448 CE3 TRP A 90 4.817 -3.019 3.617 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.595 -3.535 3.703 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.732 -2.127 3.091 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.108 -2.389 3.135 1.00 0.00 C ATOM 0 H TRP A 90 3.504 -6.184 7.398 1.00 0.00 H new ATOM 0 HA TRP A 90 3.131 -3.750 6.253 1.00 0.00 H new ATOM 0 HB2 TRP A 90 2.984 -6.576 5.204 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.653 -5.240 4.119 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.509 -7.111 5.709 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.779 -6.079 5.022 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.758 -2.809 3.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.656 -3.735 3.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.380 -1.212 2.638 1.00 0.00 H new ATOM 0 HH2 TRP A 90 7.797 -1.673 2.713 1.00 0.00 H new ATOM 1462 N ILE A 91 0.341 -5.517 5.961 1.00 0.00 N ATOM 1463 CA ILE A 91 -1.098 -5.401 5.761 1.00 0.00 C ATOM 1464 C ILE A 91 -1.696 -4.336 6.674 1.00 0.00 C ATOM 1465 O ILE A 91 -2.087 -3.261 6.218 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.812 -6.741 6.018 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.266 -7.822 5.083 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.315 -6.585 5.836 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.996 -9.143 5.195 1.00 0.00 C ATOM 0 H ILE A 91 0.675 -6.473 6.080 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.250 -5.111 4.721 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.621 -7.046 7.047 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.329 -7.467 4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.210 -7.980 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.805 -7.541 6.021 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.691 -5.842 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.526 -6.260 4.817 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.556 -9.862 4.504 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.911 -9.520 6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -3.048 -9.000 4.948 1.00 0.00 H new ATOM 1481 N SER A 92 -1.763 -4.641 7.966 1.00 0.00 N ATOM 1482 CA SER A 92 -2.316 -3.711 8.944 1.00 0.00 C ATOM 1483 C SER A 92 -1.956 -2.272 8.588 1.00 0.00 C ATOM 1484 O SER A 92 -2.829 -1.410 8.485 1.00 0.00 O ATOM 1485 CB SER A 92 -1.801 -4.046 10.345 1.00 0.00 C ATOM 1486 OG SER A 92 -2.549 -3.368 11.339 1.00 0.00 O ATOM 0 H SER A 92 -1.441 -5.525 8.360 1.00 0.00 H new ATOM 0 HA SER A 92 -3.401 -3.810 8.930 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.861 -5.122 10.510 1.00 0.00 H new ATOM 0 HB3 SER A 92 -0.750 -3.770 10.425 1.00 0.00 H new ATOM 0 HG SER A 92 -2.201 -3.600 12.225 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.664 -2.020 8.401 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.189 -0.687 8.056 1.00 0.00 C ATOM 1494 C ILE A 93 -0.953 -0.122 6.863 1.00 0.00 C ATOM 1495 O ILE A 93 -1.429 1.013 6.898 1.00 0.00 O ATOM 1496 CB ILE A 93 1.317 -0.693 7.730 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.131 -1.020 8.984 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.739 0.650 7.153 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.591 -1.293 8.702 1.00 0.00 C ATOM 0 H ILE A 93 0.071 -2.722 8.483 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.362 -0.055 8.927 1.00 0.00 H new ATOM 0 HB ILE A 93 1.509 -1.464 6.984 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.054 -0.188 9.684 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.695 -1.891 9.474 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.805 0.630 6.928 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.179 0.846 6.239 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.536 1.438 7.879 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.106 -1.517 9.636 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.678 -2.144 8.026 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.043 -0.415 8.240 1.00 0.00 H new ATOM 1511 N LEU A 94 -1.067 -0.922 5.809 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.776 -0.503 4.604 1.00 0.00 C ATOM 1513 C LEU A 94 -3.189 -0.037 4.938 1.00 0.00 C ATOM 1514 O LEU A 94 -3.568 1.097 4.640 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.831 -1.652 3.596 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.497 -2.056 2.966 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.653 -3.338 2.163 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.039 -0.936 2.087 1.00 0.00 C ATOM 0 H LEU A 94 -0.678 -1.864 5.764 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.232 0.333 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.255 -2.525 4.093 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.519 -1.375 2.797 1.00 0.00 H new ATOM 0 HG LEU A 94 0.221 -2.237 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.306 -3.610 1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.991 -4.140 2.820 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.386 -3.184 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.988 -1.241 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.677 -0.722 1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.190 -0.041 2.690 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.966 -0.918 5.561 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.338 -0.596 5.938 1.00 0.00 C ATOM 1532 C LEU A 95 -5.392 0.699 6.742 1.00 0.00 C ATOM 1533 O LEU A 95 -6.196 1.585 6.457 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.945 -1.740 6.751 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.946 -3.114 6.079 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.310 -4.198 7.082 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.907 -3.131 4.900 1.00 0.00 C ATOM 0 H LEU A 95 -3.669 -1.860 5.815 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.918 -0.459 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -5.401 -1.819 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.974 -1.478 6.998 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.942 -3.315 5.706 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.306 -5.169 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.582 -4.202 7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.303 -4.001 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.894 -4.116 4.434 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.915 -2.908 5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.601 -2.381 4.170 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.528 0.802 7.747 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.476 1.989 8.592 1.00 0.00 C ATOM 1551 C ASN A 96 -4.346 3.253 7.747 1.00 0.00 C ATOM 1552 O ASN A 96 -5.026 4.249 7.992 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.304 1.894 9.571 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.406 2.907 10.695 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.390 2.934 11.435 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.386 3.747 10.828 1.00 0.00 N ATOM 0 H ASN A 96 -3.854 0.078 7.996 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.407 2.044 9.156 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.267 0.890 9.993 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.370 2.047 9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.398 4.451 11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.591 3.688 10.192 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.468 3.204 6.751 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.250 4.343 5.868 1.00 0.00 C ATOM 1565 C ALA A 97 -4.485 4.623 5.018 1.00 0.00 C ATOM 1566 O ALA A 97 -4.890 5.774 4.854 1.00 0.00 O ATOM 1567 CB ALA A 97 -2.040 4.097 4.978 1.00 0.00 C ATOM 0 H ALA A 97 -2.896 2.388 6.535 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.060 5.220 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.889 4.956 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.155 3.953 5.598 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.208 3.206 4.374 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.080 3.564 4.480 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.270 3.696 3.646 1.00 0.00 C ATOM 1575 C LEU A 98 -7.346 4.508 4.358 1.00 0.00 C ATOM 1576 O LEU A 98 -7.999 5.359 3.754 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.816 2.315 3.280 1.00 0.00 C ATOM 1578 CG LEU A 98 -6.234 1.676 2.018 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -6.473 0.174 2.021 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -6.836 2.311 0.773 1.00 0.00 C ATOM 0 H LEU A 98 -4.758 2.604 4.606 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.988 4.222 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.638 1.642 4.119 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.896 2.394 3.158 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.158 1.852 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.052 -0.263 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.994 -0.269 2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.544 -0.024 2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.411 1.844 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.916 2.166 0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.613 3.378 0.765 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.525 4.242 5.648 1.00 0.00 N ATOM 1593 CA LYS A 99 -8.519 4.950 6.445 1.00 0.00 C ATOM 1594 C LYS A 99 -8.330 6.460 6.335 1.00 0.00 C ATOM 1595 O LYS A 99 -9.300 7.218 6.334 1.00 0.00 O ATOM 1596 CB LYS A 99 -8.429 4.520 7.911 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.825 3.072 8.145 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.535 2.639 9.572 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.739 1.143 9.753 1.00 0.00 C ATOM 1600 NZ LYS A 99 -7.694 0.351 9.046 1.00 0.00 N ATOM 0 H LYS A 99 -6.994 3.540 6.164 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.506 4.696 6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.408 4.670 8.263 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.071 5.165 8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.887 2.945 7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.283 2.429 7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.509 2.901 9.832 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.186 3.182 10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.722 0.900 10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.723 0.863 9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.897 -0.664 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.693 0.601 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.762 0.562 9.456 1.00 0.00 H new ATOM 1614 N SER A 100 -7.076 6.890 6.241 1.00 0.00 N ATOM 1615 CA SER A 100 -6.760 8.309 6.132 1.00 0.00 C ATOM 1616 C SER A 100 -7.507 8.944 4.963 1.00 0.00 C ATOM 1617 O SER A 100 -8.150 9.982 5.114 1.00 0.00 O ATOM 1618 CB SER A 100 -5.253 8.506 5.958 1.00 0.00 C ATOM 1619 OG SER A 100 -4.868 9.825 6.305 1.00 0.00 O ATOM 0 H SER A 100 -6.262 6.275 6.238 1.00 0.00 H new ATOM 0 HA SER A 100 -7.079 8.799 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.715 7.791 6.581 1.00 0.00 H new ATOM 0 HB3 SER A 100 -4.973 8.302 4.924 1.00 0.00 H new ATOM 0 HG SER A 100 -3.900 9.925 6.187 1.00 0.00 H new ATOM 1625 N GLN A 101 -7.415 8.311 3.797 1.00 0.00 N ATOM 1626 CA GLN A 101 -8.080 8.814 2.601 1.00 0.00 C ATOM 1627 C GLN A 101 -9.501 9.269 2.919 1.00 0.00 C ATOM 1628 O GLN A 101 -9.964 10.290 2.413 1.00 0.00 O ATOM 1629 CB GLN A 101 -8.108 7.737 1.516 1.00 0.00 C ATOM 1630 CG GLN A 101 -6.730 7.213 1.143 1.00 0.00 C ATOM 1631 CD GLN A 101 -6.734 6.433 -0.157 1.00 0.00 C ATOM 1632 OE1 GLN A 101 -7.234 6.907 -1.177 1.00 0.00 O ATOM 1633 NE2 GLN A 101 -6.175 5.229 -0.126 1.00 0.00 N ATOM 0 H GLN A 101 -6.887 7.450 3.656 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.516 9.672 2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.724 6.905 1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -8.587 8.143 0.625 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -6.038 8.051 1.057 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.359 6.574 1.944 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -5.772 4.876 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -6.148 4.657 -0.970 1.00 0.00 H new ATOM 1642 N SER A 102 -10.188 8.503 3.761 1.00 0.00 N ATOM 1643 CA SER A 102 -11.558 8.825 4.143 1.00 0.00 C ATOM 1644 C SER A 102 -11.701 10.313 4.448 1.00 0.00 C ATOM 1645 O SER A 102 -12.506 11.010 3.829 1.00 0.00 O ATOM 1646 CB SER A 102 -11.976 8.000 5.362 1.00 0.00 C ATOM 1647 OG SER A 102 -13.387 7.964 5.493 1.00 0.00 O ATOM 0 H SER A 102 -9.818 7.655 4.191 1.00 0.00 H new ATOM 0 HA SER A 102 -12.211 8.579 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.590 6.985 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.535 8.427 6.263 1.00 0.00 H new ATOM 0 HG SER A 102 -13.629 7.430 6.278 1.00 0.00 H new ATOM 1653 N LEU A 103 -10.915 10.793 5.405 1.00 0.00 N ATOM 1654 CA LEU A 103 -10.954 12.198 5.794 1.00 0.00 C ATOM 1655 C LEU A 103 -12.381 12.640 6.102 1.00 0.00 C ATOM 1656 O LEU A 103 -12.847 13.665 5.604 1.00 0.00 O ATOM 1657 CB LEU A 103 -10.366 13.071 4.683 1.00 0.00 C ATOM 1658 CG LEU A 103 -8.840 13.134 4.616 1.00 0.00 C ATOM 1659 CD1 LEU A 103 -8.389 13.779 3.315 1.00 0.00 C ATOM 1660 CD2 LEU A 103 -8.284 13.894 5.811 1.00 0.00 C ATOM 0 H LEU A 103 -10.243 10.230 5.926 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.355 12.316 6.697 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -10.737 12.705 3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.747 14.085 4.805 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.452 12.116 4.646 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.300 13.815 3.285 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.756 13.193 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.787 14.792 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.196 13.929 5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.680 14.910 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.577 13.389 6.732 1.00 0.00 H new ATOM 1672 N THR A 104 -13.071 11.859 6.928 1.00 0.00 N ATOM 1673 CA THR A 104 -14.445 12.170 7.303 1.00 0.00 C ATOM 1674 C THR A 104 -14.561 13.594 7.834 1.00 0.00 C ATOM 1675 O THR A 104 -13.795 14.006 8.705 1.00 0.00 O ATOM 1676 CB THR A 104 -14.970 11.191 8.370 1.00 0.00 C ATOM 1677 OG1 THR A 104 -16.337 11.490 8.678 1.00 0.00 O ATOM 1678 CG2 THR A 104 -14.131 11.269 9.636 1.00 0.00 C ATOM 0 H THR A 104 -12.701 11.007 7.350 1.00 0.00 H new ATOM 0 HA THR A 104 -15.050 12.072 6.401 1.00 0.00 H new ATOM 0 HB THR A 104 -14.901 10.180 7.969 1.00 0.00 H new ATOM 0 HG1 THR A 104 -16.664 10.862 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 104 -14.521 10.569 10.375 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.097 11.013 9.404 1.00 0.00 H new ATOM 0 HG23 THR A 104 -14.173 12.281 10.038 1.00 0.00 H new ATOM 1686 N SER A 105 -15.524 14.341 7.305 1.00 0.00 N ATOM 1687 CA SER A 105 -15.739 15.721 7.725 1.00 0.00 C ATOM 1688 C SER A 105 -14.419 16.485 7.776 1.00 0.00 C ATOM 1689 O SER A 105 -14.255 17.407 8.574 1.00 0.00 O ATOM 1690 CB SER A 105 -16.417 15.760 9.095 1.00 0.00 C ATOM 1691 OG SER A 105 -17.766 15.333 9.010 1.00 0.00 O ATOM 0 H SER A 105 -16.168 14.014 6.585 1.00 0.00 H new ATOM 0 HA SER A 105 -16.389 16.201 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 105 -15.874 15.121 9.791 1.00 0.00 H new ATOM 0 HB3 SER A 105 -16.378 16.773 9.495 1.00 0.00 H new ATOM 0 HG SER A 105 -18.176 15.366 9.899 1.00 0.00 H new ATOM 1697 N GLN A 106 -13.483 16.093 6.918 1.00 0.00 N ATOM 1698 CA GLN A 106 -12.177 16.740 6.865 1.00 0.00 C ATOM 1699 C GLN A 106 -11.711 16.909 5.423 1.00 0.00 C ATOM 1700 O GLN A 106 -12.112 16.154 4.538 1.00 0.00 O ATOM 1701 CB GLN A 106 -11.149 15.926 7.653 1.00 0.00 C ATOM 1702 CG GLN A 106 -11.459 15.829 9.138 1.00 0.00 C ATOM 1703 CD GLN A 106 -10.913 17.003 9.927 1.00 0.00 C ATOM 1704 OE1 GLN A 106 -11.670 17.823 10.446 1.00 0.00 O ATOM 1705 NE2 GLN A 106 -9.591 17.089 10.020 1.00 0.00 N ATOM 0 H GLN A 106 -13.604 15.331 6.251 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.271 17.728 7.315 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -11.096 14.921 7.235 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.165 16.377 7.524 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.539 15.774 9.277 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.039 14.904 9.533 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.002 16.386 9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.165 17.858 10.538 1.00 0.00 H new ATOM 1714 N SER A 107 -10.862 17.906 5.194 1.00 0.00 N ATOM 1715 CA SER A 107 -10.344 18.178 3.858 1.00 0.00 C ATOM 1716 C SER A 107 -8.862 18.534 3.911 1.00 0.00 C ATOM 1717 O SER A 107 -8.457 19.438 4.642 1.00 0.00 O ATOM 1718 CB SER A 107 -11.131 19.316 3.205 1.00 0.00 C ATOM 1719 OG SER A 107 -10.546 19.698 1.972 1.00 0.00 O ATOM 0 H SER A 107 -10.518 18.539 5.916 1.00 0.00 H new ATOM 0 HA SER A 107 -10.461 17.275 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 107 -12.162 19.002 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 107 -11.162 20.173 3.877 1.00 0.00 H new ATOM 0 HG SER A 107 -11.068 20.425 1.574 1.00 0.00 H new ATOM 1725 N GLN A 108 -8.059 17.818 3.132 1.00 0.00 N ATOM 1726 CA GLN A 108 -6.621 18.058 3.091 1.00 0.00 C ATOM 1727 C GLN A 108 -6.184 18.509 1.701 1.00 0.00 C ATOM 1728 O GLN A 108 -6.809 18.161 0.700 1.00 0.00 O ATOM 1729 CB GLN A 108 -5.860 16.793 3.492 1.00 0.00 C ATOM 1730 CG GLN A 108 -5.892 15.702 2.434 1.00 0.00 C ATOM 1731 CD GLN A 108 -4.766 15.831 1.428 1.00 0.00 C ATOM 1732 OE1 GLN A 108 -5.004 16.014 0.234 1.00 0.00 O ATOM 1733 NE2 GLN A 108 -3.531 15.737 1.906 1.00 0.00 N ATOM 0 H GLN A 108 -8.379 17.067 2.521 1.00 0.00 H new ATOM 0 HA GLN A 108 -6.390 18.853 3.800 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -4.823 17.054 3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -6.283 16.403 4.417 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -5.830 14.728 2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.847 15.737 1.911 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -3.380 15.585 2.903 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.733 15.817 1.276 1.00 0.00 H new ATOM 1742 N ALA A 109 -5.107 19.286 1.648 1.00 0.00 N ATOM 1743 CA ALA A 109 -4.586 19.783 0.381 1.00 0.00 C ATOM 1744 C ALA A 109 -3.138 19.351 0.176 1.00 0.00 C ATOM 1745 O ALA A 109 -2.255 19.716 0.953 1.00 0.00 O ATOM 1746 CB ALA A 109 -4.700 21.299 0.322 1.00 0.00 C ATOM 0 H ALA A 109 -4.579 19.585 2.468 1.00 0.00 H new ATOM 0 HA ALA A 109 -5.183 19.353 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.307 21.657 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -5.747 21.589 0.415 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -4.128 21.739 1.139 1.00 0.00 H new ATOM 1752 N SER A 110 -2.901 18.572 -0.874 1.00 0.00 N ATOM 1753 CA SER A 110 -1.560 18.087 -1.179 1.00 0.00 C ATOM 1754 C SER A 110 -1.408 17.809 -2.671 1.00 0.00 C ATOM 1755 O SER A 110 -2.380 17.493 -3.357 1.00 0.00 O ATOM 1756 CB SER A 110 -1.261 16.817 -0.380 1.00 0.00 C ATOM 1757 OG SER A 110 -2.099 15.749 -0.786 1.00 0.00 O ATOM 0 H SER A 110 -3.620 18.263 -1.528 1.00 0.00 H new ATOM 0 HA SER A 110 -0.848 18.862 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 110 -0.217 16.536 -0.516 1.00 0.00 H new ATOM 0 HB3 SER A 110 -1.403 17.011 0.683 1.00 0.00 H new ATOM 0 HG SER A 110 -1.785 14.914 -0.380 1.00 0.00 H new ATOM 1763 N GLY A 111 -0.181 17.931 -3.168 1.00 0.00 N ATOM 1764 CA GLY A 111 0.077 17.690 -4.576 1.00 0.00 C ATOM 1765 C GLY A 111 1.167 16.660 -4.798 1.00 0.00 C ATOM 1766 O GLY A 111 2.333 16.994 -5.008 1.00 0.00 O ATOM 0 H GLY A 111 0.639 18.192 -2.621 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.841 17.353 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 111 0.363 18.626 -5.055 1.00 0.00 H new ATOM 1770 N PRO A 112 0.789 15.374 -4.752 1.00 0.00 N ATOM 1771 CA PRO A 112 1.728 14.266 -4.946 1.00 0.00 C ATOM 1772 C PRO A 112 2.222 14.170 -6.386 1.00 0.00 C ATOM 1773 O PRO A 112 3.023 13.297 -6.721 1.00 0.00 O ATOM 1774 CB PRO A 112 0.900 13.031 -4.582 1.00 0.00 C ATOM 1775 CG PRO A 112 -0.512 13.436 -4.828 1.00 0.00 C ATOM 1776 CD PRO A 112 -0.584 14.903 -4.506 1.00 0.00 C ATOM 0 HA PRO A 112 2.629 14.385 -4.344 1.00 0.00 H new ATOM 0 HB2 PRO A 112 1.178 12.173 -5.194 1.00 0.00 H new ATOM 0 HB3 PRO A 112 1.054 12.744 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.797 13.249 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.197 12.865 -4.201 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -1.305 15.419 -5.140 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.888 15.073 -3.473 1.00 0.00 H new ATOM 1784 N SER A 113 1.740 15.074 -7.233 1.00 0.00 N ATOM 1785 CA SER A 113 2.131 15.089 -8.638 1.00 0.00 C ATOM 1786 C SER A 113 3.628 15.343 -8.783 1.00 0.00 C ATOM 1787 O SER A 113 4.196 16.186 -8.088 1.00 0.00 O ATOM 1788 CB SER A 113 1.345 16.161 -9.396 1.00 0.00 C ATOM 1789 OG SER A 113 1.623 16.111 -10.784 1.00 0.00 O ATOM 0 H SER A 113 1.079 15.805 -6.971 1.00 0.00 H new ATOM 0 HA SER A 113 1.903 14.112 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 113 0.277 16.019 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.599 17.147 -9.006 1.00 0.00 H new ATOM 0 HG SER A 113 1.107 16.805 -11.246 1.00 0.00 H new ATOM 1795 N SER A 114 4.262 14.607 -9.691 1.00 0.00 N ATOM 1796 CA SER A 114 5.694 14.748 -9.925 1.00 0.00 C ATOM 1797 C SER A 114 6.059 16.205 -10.196 1.00 0.00 C ATOM 1798 O SER A 114 5.272 16.958 -10.768 1.00 0.00 O ATOM 1799 CB SER A 114 6.128 13.875 -11.104 1.00 0.00 C ATOM 1800 OG SER A 114 7.489 14.098 -11.430 1.00 0.00 O ATOM 0 H SER A 114 3.806 13.907 -10.276 1.00 0.00 H new ATOM 0 HA SER A 114 6.218 14.421 -9.027 1.00 0.00 H new ATOM 0 HB2 SER A 114 5.977 12.824 -10.857 1.00 0.00 H new ATOM 0 HB3 SER A 114 5.503 14.092 -11.970 1.00 0.00 H new ATOM 0 HG SER A 114 7.742 13.527 -12.185 1.00 0.00 H new ATOM 1806 N GLY A 115 7.260 16.595 -9.779 1.00 0.00 N ATOM 1807 CA GLY A 115 7.709 17.959 -9.985 1.00 0.00 C ATOM 1808 C GLY A 115 8.998 18.263 -9.247 1.00 0.00 C ATOM 1809 O GLY A 115 9.959 18.755 -9.839 1.00 0.00 O ATOM 0 H GLY A 115 7.929 15.991 -9.302 1.00 0.00 H new ATOM 0 HA2 GLY A 115 7.855 18.133 -11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 115 6.932 18.648 -9.653 1.00 0.00 H new TER 1813 GLY A 115