USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 698 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 22 HIS : no HD1:sc= -1.05 X(o=-0.32,f=-0.17) USER MOD Set 1.2: A 77 SER OG : rot 90:sc= 0.727 USER MOD Single : A 3 TYR OH : rot 30:sc= -0.453 USER MOD Single : A 8 HIS : no HD1:sc= -0.0349 X(o=-0.035,f=0) USER MOD Single : A 9 SER OG : rot -150:sc= -0.44 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.6 USER MOD Single : A 24 ASN : amide:sc= -3.17! C(o=-3.2!,f=-7.7!) USER MOD Single : A 26 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.26) USER MOD Single : A 28 HIS : no HE2:sc= 0.134 K(o=0.13,f=-0.7) USER MOD Single : A 29 HIS : no HD1:sc= -0.0879 X(o=-0.088,f=-0.00066) USER MOD Single : A 32 THR OG1 : rot -95:sc= -0.795 USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= -1.12 (180deg=-3.18!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -9:sc= -0.517 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 43 LYS NZ :NH3+ -122:sc= -1.09 (180deg=-4.91!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 65 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.27) USER MOD Single : A 70 THR OG1 : rot 60:sc= -1.76! USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -172:sc= -1.01 USER MOD Single : A 87 GLN : amide:sc= -2.29! K(o=-2.3!,f=-0.31) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -58:sc= 0.699 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 7.550 3.425 -13.497 1.00 0.00 N ATOM 20 CA TYR A 3 6.107 3.264 -13.645 1.00 0.00 C ATOM 21 C TYR A 3 5.366 3.970 -12.512 1.00 0.00 C ATOM 22 O TYR A 3 5.740 3.850 -11.345 1.00 0.00 O ATOM 23 CB TYR A 3 5.738 1.779 -13.665 1.00 0.00 C ATOM 24 CG TYR A 3 4.260 1.525 -13.863 1.00 0.00 C ATOM 25 CD1 TYR A 3 3.705 1.495 -15.136 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.420 1.318 -12.777 1.00 0.00 C ATOM 27 CE1 TYR A 3 2.354 1.265 -15.321 1.00 0.00 C ATOM 28 CE2 TYR A 3 2.069 1.087 -12.953 1.00 0.00 C ATOM 29 CZ TYR A 3 1.542 1.062 -14.226 1.00 0.00 C ATOM 30 OH TYR A 3 0.197 0.834 -14.406 1.00 0.00 O ATOM 0 HA TYR A 3 5.808 3.717 -14.590 1.00 0.00 H new ATOM 0 HB2 TYR A 3 6.293 1.286 -14.463 1.00 0.00 H new ATOM 0 HB3 TYR A 3 6.054 1.322 -12.727 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.339 1.654 -15.996 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.829 1.338 -11.778 1.00 0.00 H new ATOM 0 HE1 TYR A 3 1.938 1.245 -16.317 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.430 0.927 -12.097 1.00 0.00 H new ATOM 0 HH TYR A 3 0.053 0.386 -15.266 1.00 0.00 H new ATOM 40 N TRP A 4 4.314 4.704 -12.864 1.00 0.00 N ATOM 41 CA TRP A 4 3.525 5.423 -11.871 1.00 0.00 C ATOM 42 C TRP A 4 2.085 4.909 -11.849 1.00 0.00 C ATOM 43 O TRP A 4 1.482 4.701 -12.903 1.00 0.00 O ATOM 44 CB TRP A 4 3.538 6.925 -12.166 1.00 0.00 C ATOM 45 CG TRP A 4 3.098 7.760 -11.004 1.00 0.00 C ATOM 46 CD1 TRP A 4 1.837 8.222 -10.752 1.00 0.00 C ATOM 47 CD2 TRP A 4 3.920 8.229 -9.932 1.00 0.00 C ATOM 48 NE1 TRP A 4 1.828 8.951 -9.587 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.095 8.970 -9.064 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.275 8.095 -9.621 1.00 0.00 C ATOM 51 CZ2 TRP A 4 3.583 9.572 -7.907 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.758 8.693 -8.473 1.00 0.00 C ATOM 53 CH2 TRP A 4 4.914 9.424 -7.628 1.00 0.00 C ATOM 0 H TRP A 4 3.990 4.816 -13.825 1.00 0.00 H new ATOM 0 HA TRP A 4 3.972 5.250 -10.892 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.545 7.222 -12.458 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.887 7.127 -13.017 1.00 0.00 H new ATOM 0 HD1 TRP A 4 0.975 8.041 -11.376 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.011 9.404 -9.178 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.934 7.534 -10.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 2.934 10.136 -7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.804 8.595 -8.223 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.322 9.880 -6.738 1.00 0.00 H new ATOM 64 N PRO A 5 1.512 4.694 -10.649 1.00 0.00 N ATOM 65 CA PRO A 5 0.140 4.195 -10.509 1.00 0.00 C ATOM 66 C PRO A 5 -0.901 5.196 -11.000 1.00 0.00 C ATOM 67 O PRO A 5 -1.433 5.055 -12.102 1.00 0.00 O ATOM 68 CB PRO A 5 -0.022 3.957 -9.000 1.00 0.00 C ATOM 69 CG PRO A 5 1.359 4.007 -8.437 1.00 0.00 C ATOM 70 CD PRO A 5 2.144 4.913 -9.340 1.00 0.00 C ATOM 0 HA PRO A 5 -0.017 3.299 -11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.657 4.719 -8.549 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -0.491 2.993 -8.803 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.350 4.387 -7.416 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.802 3.012 -8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.075 5.955 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.202 4.653 -9.353 1.00 0.00 H new ATOM 78 N ALA A 6 -1.174 6.211 -10.182 1.00 0.00 N ATOM 79 CA ALA A 6 -2.164 7.227 -10.533 1.00 0.00 C ATOM 80 C ALA A 6 -2.314 8.242 -9.401 1.00 0.00 C ATOM 81 O ALA A 6 -1.375 8.475 -8.639 1.00 0.00 O ATOM 82 CB ALA A 6 -3.505 6.578 -10.841 1.00 0.00 C ATOM 0 H ALA A 6 -0.726 6.351 -9.276 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.818 7.751 -11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.231 7.348 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.392 5.889 -11.678 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -3.854 6.031 -9.965 1.00 0.00 H new ATOM 88 N ARG A 7 -3.496 8.847 -9.297 1.00 0.00 N ATOM 89 CA ARG A 7 -3.760 9.835 -8.254 1.00 0.00 C ATOM 90 C ARG A 7 -4.800 9.322 -7.258 1.00 0.00 C ATOM 91 O ARG A 7 -5.980 9.202 -7.588 1.00 0.00 O ATOM 92 CB ARG A 7 -4.242 11.148 -8.875 1.00 0.00 C ATOM 93 CG ARG A 7 -3.232 11.788 -9.813 1.00 0.00 C ATOM 94 CD ARG A 7 -3.767 13.082 -10.407 1.00 0.00 C ATOM 95 NE ARG A 7 -2.810 13.707 -11.315 1.00 0.00 N ATOM 96 CZ ARG A 7 -3.070 14.801 -12.023 1.00 0.00 C ATOM 97 NH1 ARG A 7 -4.256 15.389 -11.929 1.00 0.00 N ATOM 98 NH2 ARG A 7 -2.145 15.309 -12.827 1.00 0.00 N ATOM 0 H ARG A 7 -4.284 8.671 -9.921 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.827 10.011 -7.718 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.166 10.963 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.480 11.851 -8.077 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.308 11.989 -9.272 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.987 11.092 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.694 12.878 -10.943 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.010 13.776 -9.603 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.889 13.279 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.970 15.001 -11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.453 16.229 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.232 14.860 -12.902 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.346 16.149 -13.370 1.00 0.00 H new ATOM 112 N HIS A 8 -4.350 9.022 -6.040 1.00 0.00 N ATOM 113 CA HIS A 8 -5.240 8.526 -4.990 1.00 0.00 C ATOM 114 C HIS A 8 -6.002 7.285 -5.451 1.00 0.00 C ATOM 115 O HIS A 8 -6.993 6.891 -4.835 1.00 0.00 O ATOM 116 CB HIS A 8 -6.229 9.618 -4.577 1.00 0.00 C ATOM 117 CG HIS A 8 -5.569 10.887 -4.135 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.451 11.254 -2.811 1.00 0.00 N ATOM 119 CD2 HIS A 8 -4.993 11.882 -4.852 1.00 0.00 C ATOM 120 CE1 HIS A 8 -4.832 12.418 -2.733 1.00 0.00 C ATOM 121 NE2 HIS A 8 -4.543 12.820 -3.956 1.00 0.00 N ATOM 0 H HIS A 8 -3.375 9.114 -5.756 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.626 8.251 -4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.890 9.835 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.855 9.243 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.904 11.929 -5.927 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.601 12.951 -1.822 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -4.063 13.687 -4.197 1.00 0.00 H new ATOM 130 N SER A 9 -5.532 6.669 -6.532 1.00 0.00 N ATOM 131 CA SER A 9 -6.177 5.477 -7.071 1.00 0.00 C ATOM 132 C SER A 9 -5.894 4.258 -6.198 1.00 0.00 C ATOM 133 O SER A 9 -5.280 4.370 -5.140 1.00 0.00 O ATOM 134 CB SER A 9 -5.710 5.216 -8.503 1.00 0.00 C ATOM 135 OG SER A 9 -6.087 6.278 -9.361 1.00 0.00 O ATOM 0 H SER A 9 -4.709 6.975 -7.051 1.00 0.00 H new ATOM 0 HA SER A 9 -7.253 5.653 -7.077 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.627 5.097 -8.520 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.139 4.282 -8.865 1.00 0.00 H new ATOM 0 HG SER A 9 -6.228 5.932 -10.267 1.00 0.00 H new ATOM 141 N GLY A 10 -6.342 3.095 -6.657 1.00 0.00 N ATOM 142 CA GLY A 10 -6.140 1.872 -5.902 1.00 0.00 C ATOM 143 C GLY A 10 -4.686 1.441 -5.833 1.00 0.00 C ATOM 144 O GLY A 10 -4.125 1.314 -4.747 1.00 0.00 O ATOM 0 H GLY A 10 -6.842 2.977 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.519 2.012 -4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.727 1.073 -6.354 1.00 0.00 H new ATOM 148 N ALA A 11 -4.072 1.229 -6.992 1.00 0.00 N ATOM 149 CA ALA A 11 -2.682 0.786 -7.053 1.00 0.00 C ATOM 150 C ALA A 11 -1.748 1.720 -6.281 1.00 0.00 C ATOM 151 O ALA A 11 -0.772 1.274 -5.677 1.00 0.00 O ATOM 152 CB ALA A 11 -2.237 0.664 -8.503 1.00 0.00 C ATOM 0 H ALA A 11 -4.514 1.356 -7.902 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.624 -0.192 -6.576 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.199 0.333 -8.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.867 -0.062 -9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.326 1.633 -8.994 1.00 0.00 H new ATOM 158 N ARG A 12 -2.055 3.011 -6.300 1.00 0.00 N ATOM 159 CA ARG A 12 -1.239 3.998 -5.601 1.00 0.00 C ATOM 160 C ARG A 12 -1.422 3.895 -4.097 1.00 0.00 C ATOM 161 O ARG A 12 -0.459 3.724 -3.347 1.00 0.00 O ATOM 162 CB ARG A 12 -1.599 5.410 -6.071 1.00 0.00 C ATOM 163 CG ARG A 12 -1.415 6.491 -5.015 1.00 0.00 C ATOM 164 CD ARG A 12 -1.475 7.879 -5.628 1.00 0.00 C ATOM 165 NE ARG A 12 -1.410 8.933 -4.619 1.00 0.00 N ATOM 166 CZ ARG A 12 -1.200 10.215 -4.904 1.00 0.00 C ATOM 167 NH1 ARG A 12 -1.016 10.597 -6.161 1.00 0.00 N ATOM 168 NH2 ARG A 12 -1.172 11.116 -3.932 1.00 0.00 N ATOM 0 H ARG A 12 -2.861 3.399 -6.790 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.194 3.795 -5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.987 5.658 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.637 5.416 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.189 6.394 -4.254 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.457 6.354 -4.514 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.650 8.000 -6.330 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.398 7.982 -6.199 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.533 8.671 -3.641 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.035 9.907 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.855 11.581 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.312 10.826 -2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.011 12.099 -4.152 1.00 0.00 H new ATOM 182 N VAL A 13 -2.666 3.999 -3.669 1.00 0.00 N ATOM 183 CA VAL A 13 -2.995 3.951 -2.260 1.00 0.00 C ATOM 184 C VAL A 13 -2.543 2.649 -1.597 1.00 0.00 C ATOM 185 O VAL A 13 -2.177 2.643 -0.421 1.00 0.00 O ATOM 186 CB VAL A 13 -4.510 4.136 -2.041 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.883 3.885 -0.590 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.943 5.530 -2.469 1.00 0.00 C ATOM 0 H VAL A 13 -3.471 4.118 -4.284 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.454 4.773 -1.792 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.034 3.405 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.957 4.022 -0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.612 2.866 -0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.349 4.587 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.015 5.644 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.407 6.274 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.718 5.672 -3.526 1.00 0.00 H new ATOM 198 N ILE A 14 -2.560 1.549 -2.347 1.00 0.00 N ATOM 199 CA ILE A 14 -2.176 0.256 -1.792 1.00 0.00 C ATOM 200 C ILE A 14 -0.664 0.129 -1.573 1.00 0.00 C ATOM 201 O ILE A 14 -0.224 -0.236 -0.490 1.00 0.00 O ATOM 202 CB ILE A 14 -2.666 -0.918 -2.667 1.00 0.00 C ATOM 203 CG1 ILE A 14 -2.019 -0.883 -4.054 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.183 -0.899 -2.788 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.413 -2.047 -4.937 1.00 0.00 C ATOM 0 H ILE A 14 -2.833 1.528 -3.330 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.666 0.204 -0.820 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.367 -1.845 -2.179 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.294 0.048 -4.550 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.935 -0.875 -3.940 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.509 -1.734 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.628 -0.988 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.500 0.038 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.917 -1.955 -5.903 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.113 -2.981 -4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.493 -2.044 -5.082 1.00 0.00 H new ATOM 217 N LEU A 15 0.135 0.428 -2.589 1.00 0.00 N ATOM 218 CA LEU A 15 1.583 0.300 -2.435 1.00 0.00 C ATOM 219 C LEU A 15 2.122 1.261 -1.377 1.00 0.00 C ATOM 220 O LEU A 15 3.076 0.942 -0.666 1.00 0.00 O ATOM 221 CB LEU A 15 2.286 0.535 -3.771 1.00 0.00 C ATOM 222 CG LEU A 15 1.796 -0.351 -4.917 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.134 0.276 -6.257 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.405 -1.740 -4.811 1.00 0.00 C ATOM 0 H LEU A 15 -0.179 0.752 -3.504 1.00 0.00 H new ATOM 0 HA LEU A 15 1.790 -0.716 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.155 1.579 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.355 0.373 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 15 0.712 -0.442 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.778 -0.369 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.653 1.251 -6.334 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.214 0.396 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.046 -2.358 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.491 -1.666 -4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.115 -2.193 -3.863 1.00 0.00 H new ATOM 236 N LEU A 16 1.497 2.425 -1.259 1.00 0.00 N ATOM 237 CA LEU A 16 1.941 3.410 -0.296 1.00 0.00 C ATOM 238 C LEU A 16 1.580 2.979 1.120 1.00 0.00 C ATOM 239 O LEU A 16 2.362 3.134 2.062 1.00 0.00 O ATOM 240 CB LEU A 16 1.287 4.744 -0.626 1.00 0.00 C ATOM 241 CG LEU A 16 1.636 5.876 0.319 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.119 6.196 0.239 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.797 7.098 -0.002 1.00 0.00 C ATOM 0 H LEU A 16 0.689 2.704 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 16 3.025 3.507 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.574 5.033 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.205 4.611 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 16 1.414 5.566 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.353 7.011 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.697 5.314 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.373 6.493 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.055 7.906 0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.992 7.414 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.259 6.853 0.108 1.00 0.00 H new ATOM 255 N VAL A 17 0.383 2.434 1.258 1.00 0.00 N ATOM 256 CA VAL A 17 -0.090 1.977 2.549 1.00 0.00 C ATOM 257 C VAL A 17 0.682 0.737 3.002 1.00 0.00 C ATOM 258 O VAL A 17 0.990 0.587 4.184 1.00 0.00 O ATOM 259 CB VAL A 17 -1.603 1.714 2.507 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.932 0.445 1.756 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.188 1.669 3.901 1.00 0.00 C ATOM 0 H VAL A 17 -0.276 2.298 0.492 1.00 0.00 H new ATOM 0 HA VAL A 17 0.091 2.763 3.282 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.056 2.546 1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.012 0.296 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.571 0.525 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.451 -0.402 2.245 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.260 1.481 3.840 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.712 0.870 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.014 2.623 4.399 1.00 0.00 H new ATOM 271 N LEU A 18 0.993 -0.152 2.056 1.00 0.00 N ATOM 272 CA LEU A 18 1.777 -1.342 2.361 1.00 0.00 C ATOM 273 C LEU A 18 3.178 -0.913 2.758 1.00 0.00 C ATOM 274 O LEU A 18 3.867 -1.588 3.523 1.00 0.00 O ATOM 275 CB LEU A 18 1.858 -2.263 1.140 1.00 0.00 C ATOM 276 CG LEU A 18 0.711 -3.256 0.969 1.00 0.00 C ATOM 277 CD1 LEU A 18 0.900 -4.451 1.888 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.636 -2.605 1.225 1.00 0.00 C ATOM 0 H LEU A 18 0.714 -0.068 1.079 1.00 0.00 H new ATOM 0 HA LEU A 18 1.298 -1.886 3.175 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.911 -1.642 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.791 -2.823 1.195 1.00 0.00 H new ATOM 0 HG LEU A 18 0.725 -3.598 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.073 -5.148 1.753 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.839 -4.950 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.924 -4.113 2.924 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.428 -3.343 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.666 -2.218 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.784 -1.786 0.522 1.00 0.00 H new ATOM 290 N TYR A 19 3.578 0.232 2.215 1.00 0.00 N ATOM 291 CA TYR A 19 4.901 0.788 2.478 1.00 0.00 C ATOM 292 C TYR A 19 5.143 0.997 3.966 1.00 0.00 C ATOM 293 O TYR A 19 6.064 0.420 4.533 1.00 0.00 O ATOM 294 CB TYR A 19 5.067 2.112 1.729 1.00 0.00 C ATOM 295 CG TYR A 19 6.420 2.765 1.905 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.519 2.345 1.167 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.591 3.814 2.800 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.752 2.951 1.317 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.821 4.423 2.957 1.00 0.00 C ATOM 300 CZ TYR A 19 8.898 3.988 2.213 1.00 0.00 C ATOM 301 OH TYR A 19 10.123 4.595 2.364 1.00 0.00 O ATOM 0 H TYR A 19 3.003 0.795 1.588 1.00 0.00 H new ATOM 0 HA TYR A 19 5.640 0.070 2.122 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.897 1.938 0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.296 2.805 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.408 1.532 0.465 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.749 4.159 3.382 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.597 2.614 0.735 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.939 5.236 3.659 1.00 0.00 H new ATOM 0 HH TYR A 19 10.055 5.308 3.033 1.00 0.00 H new ATOM 311 N ARG A 20 4.294 1.793 4.604 1.00 0.00 N ATOM 312 CA ARG A 20 4.454 2.080 6.025 1.00 0.00 C ATOM 313 C ARG A 20 4.556 0.807 6.867 1.00 0.00 C ATOM 314 O ARG A 20 5.508 0.643 7.629 1.00 0.00 O ATOM 315 CB ARG A 20 3.290 2.946 6.509 1.00 0.00 C ATOM 316 CG ARG A 20 3.281 3.179 8.009 1.00 0.00 C ATOM 317 CD ARG A 20 2.395 2.177 8.730 1.00 0.00 C ATOM 318 NE ARG A 20 2.368 2.410 10.172 1.00 0.00 N ATOM 319 CZ ARG A 20 1.649 1.687 11.024 1.00 0.00 C ATOM 320 NH1 ARG A 20 0.897 0.688 10.582 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.680 1.964 12.321 1.00 0.00 N ATOM 0 H ARG A 20 3.494 2.248 4.165 1.00 0.00 H new ATOM 0 HA ARG A 20 5.392 2.620 6.150 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.331 3.910 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.352 2.473 6.219 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.298 3.108 8.394 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.931 4.190 8.218 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.381 2.238 8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.754 1.167 8.532 1.00 0.00 H new ATOM 0 HE ARG A 20 2.934 3.172 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.869 0.473 9.585 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.346 0.135 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.256 2.732 12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.128 1.409 12.974 1.00 0.00 H new ATOM 335 N GLU A 21 3.586 -0.093 6.736 1.00 0.00 N ATOM 336 CA GLU A 21 3.606 -1.331 7.513 1.00 0.00 C ATOM 337 C GLU A 21 4.846 -2.159 7.190 1.00 0.00 C ATOM 338 O GLU A 21 5.328 -2.921 8.025 1.00 0.00 O ATOM 339 CB GLU A 21 2.346 -2.153 7.247 1.00 0.00 C ATOM 340 CG GLU A 21 2.234 -3.381 8.136 1.00 0.00 C ATOM 341 CD GLU A 21 2.148 -3.031 9.609 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.049 -2.645 10.064 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.175 -3.150 10.308 1.00 0.00 O ATOM 0 H GLU A 21 2.787 0.007 6.110 1.00 0.00 H new ATOM 0 HA GLU A 21 3.636 -1.062 8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.470 -1.522 7.397 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.338 -2.466 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.351 -3.952 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.097 -4.025 7.970 1.00 0.00 H new ATOM 350 N HIS A 22 5.347 -2.015 5.970 1.00 0.00 N ATOM 351 CA HIS A 22 6.534 -2.764 5.573 1.00 0.00 C ATOM 352 C HIS A 22 7.775 -2.216 6.267 1.00 0.00 C ATOM 353 O HIS A 22 8.643 -2.973 6.700 1.00 0.00 O ATOM 354 CB HIS A 22 6.709 -2.716 4.056 1.00 0.00 C ATOM 355 CG HIS A 22 7.967 -3.368 3.569 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.003 -4.647 3.056 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.240 -2.907 3.510 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.241 -4.945 2.703 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.011 -3.905 2.968 1.00 0.00 N ATOM 0 H HIS A 22 4.962 -1.402 5.252 1.00 0.00 H new ATOM 0 HA HIS A 22 6.402 -3.802 5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.854 -3.202 3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.702 -1.675 3.732 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.584 -1.935 3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.568 -5.880 2.271 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.015 -3.852 2.798 1.00 0.00 H new ATOM 368 N LEU A 23 7.849 -0.895 6.370 1.00 0.00 N ATOM 369 CA LEU A 23 8.982 -0.247 7.020 1.00 0.00 C ATOM 370 C LEU A 23 9.047 -0.608 8.496 1.00 0.00 C ATOM 371 O LEU A 23 10.015 -0.280 9.183 1.00 0.00 O ATOM 372 CB LEU A 23 8.887 1.268 6.860 1.00 0.00 C ATOM 373 CG LEU A 23 9.470 1.810 5.559 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.654 1.350 4.360 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.558 3.327 5.605 1.00 0.00 C ATOM 0 H LEU A 23 7.141 -0.253 6.013 1.00 0.00 H new ATOM 0 HA LEU A 23 9.893 -0.603 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.839 1.561 6.922 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.401 1.741 7.697 1.00 0.00 H new ATOM 0 HG LEU A 23 10.478 1.411 5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.092 1.751 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.655 0.261 4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.629 1.708 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.976 3.696 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.561 3.745 5.747 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.200 3.629 6.433 1.00 0.00 H new ATOM 387 N ASN A 24 8.013 -1.285 8.975 1.00 0.00 N ATOM 388 CA ASN A 24 7.947 -1.694 10.375 1.00 0.00 C ATOM 389 C ASN A 24 9.158 -2.539 10.773 1.00 0.00 C ATOM 390 O ASN A 24 9.292 -3.682 10.337 1.00 0.00 O ATOM 391 CB ASN A 24 6.660 -2.470 10.650 1.00 0.00 C ATOM 392 CG ASN A 24 5.515 -1.555 11.030 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.814 -1.029 10.172 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.322 -1.358 12.328 1.00 0.00 N ATOM 0 H ASN A 24 7.207 -1.564 8.416 1.00 0.00 H new ATOM 0 HA ASN A 24 7.953 -0.786 10.978 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.387 -3.044 9.765 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.833 -3.186 11.453 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.567 -0.749 12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.928 -1.815 13.009 1.00 0.00 H new ATOM 401 N PRO A 25 10.057 -1.982 11.607 1.00 0.00 N ATOM 402 CA PRO A 25 11.254 -2.692 12.069 1.00 0.00 C ATOM 403 C PRO A 25 10.920 -3.999 12.778 1.00 0.00 C ATOM 404 O PRO A 25 11.539 -5.032 12.522 1.00 0.00 O ATOM 405 CB PRO A 25 11.901 -1.718 13.056 1.00 0.00 C ATOM 406 CG PRO A 25 11.374 -0.378 12.677 1.00 0.00 C ATOM 407 CD PRO A 25 9.986 -0.614 12.155 1.00 0.00 C ATOM 0 HA PRO A 25 11.897 -2.968 11.234 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.641 -1.968 14.085 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.988 -1.749 12.986 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.359 0.293 13.536 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.002 0.089 11.918 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.240 -0.536 12.946 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.715 0.113 11.389 1.00 0.00 H new ATOM 415 N ASN A 26 9.936 -3.946 13.670 1.00 0.00 N ATOM 416 CA ASN A 26 9.542 -5.136 14.412 1.00 0.00 C ATOM 417 C ASN A 26 8.148 -5.595 14.005 1.00 0.00 C ATOM 418 O ASN A 26 7.704 -6.681 14.377 1.00 0.00 O ATOM 419 CB ASN A 26 9.591 -4.865 15.917 1.00 0.00 C ATOM 420 CG ASN A 26 9.236 -6.089 16.740 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.102 -6.893 17.085 1.00 0.00 O ATOM 422 ND2 ASN A 26 7.955 -6.234 17.062 1.00 0.00 N ATOM 0 H ASN A 26 9.404 -3.105 13.894 1.00 0.00 H new ATOM 0 HA ASN A 26 10.247 -5.933 14.174 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.590 -4.526 16.189 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.902 -4.056 16.160 1.00 0.00 H new ATOM 0 HD21 ASN A 26 7.656 -7.036 17.616 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.271 -5.543 16.755 1.00 0.00 H new ATOM 429 N GLY A 27 7.467 -4.760 13.234 1.00 0.00 N ATOM 430 CA GLY A 27 6.131 -5.096 12.781 1.00 0.00 C ATOM 431 C GLY A 27 6.148 -6.089 11.639 1.00 0.00 C ATOM 432 O GLY A 27 7.200 -6.628 11.293 1.00 0.00 O ATOM 0 H GLY A 27 7.815 -3.856 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.561 -5.511 13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.618 -4.188 12.464 1.00 0.00 H new ATOM 436 N HIS A 28 4.984 -6.334 11.051 1.00 0.00 N ATOM 437 CA HIS A 28 4.881 -7.267 9.938 1.00 0.00 C ATOM 438 C HIS A 28 5.085 -6.541 8.613 1.00 0.00 C ATOM 439 O HIS A 28 4.535 -5.463 8.397 1.00 0.00 O ATOM 440 CB HIS A 28 3.518 -7.962 9.947 1.00 0.00 C ATOM 441 CG HIS A 28 3.260 -8.758 11.189 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.427 -10.125 11.257 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.840 -8.371 12.418 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.121 -10.545 12.470 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.763 -9.501 13.194 1.00 0.00 N ATOM 0 H HIS A 28 4.102 -5.901 11.325 1.00 0.00 H new ATOM 0 HA HIS A 28 5.661 -8.020 10.050 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.736 -7.211 9.838 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.450 -8.622 9.082 1.00 0.00 H new ATOM 0 HD1 HIS A 28 3.739 -10.719 10.489 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.609 -7.363 12.729 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.157 -11.569 12.812 1.00 0.00 H new ATOM 454 N HIS A 29 5.881 -7.135 7.732 1.00 0.00 N ATOM 455 CA HIS A 29 6.152 -6.544 6.426 1.00 0.00 C ATOM 456 C HIS A 29 4.996 -6.818 5.468 1.00 0.00 C ATOM 457 O HIS A 29 5.204 -7.037 4.275 1.00 0.00 O ATOM 458 CB HIS A 29 7.449 -7.112 5.849 1.00 0.00 C ATOM 459 CG HIS A 29 8.641 -6.906 6.732 1.00 0.00 C ATOM 460 ND1 HIS A 29 9.019 -7.804 7.707 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.544 -5.898 6.781 1.00 0.00 C ATOM 462 CE1 HIS A 29 10.102 -7.358 8.318 1.00 0.00 C ATOM 463 NE2 HIS A 29 10.441 -6.204 7.775 1.00 0.00 N ATOM 0 H HIS A 29 6.350 -8.025 7.898 1.00 0.00 H new ATOM 0 HA HIS A 29 6.259 -5.466 6.550 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.320 -8.180 5.671 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.640 -6.648 4.881 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.556 -5.018 6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 29 10.622 -7.854 9.125 1.00 0.00 H new ATOM 0 HE2 HIS A 29 11.240 -5.632 8.049 1.00 0.00 H new ATOM 472 N PHE A 30 3.776 -6.788 5.999 1.00 0.00 N ATOM 473 CA PHE A 30 2.585 -7.053 5.192 1.00 0.00 C ATOM 474 C PHE A 30 1.307 -6.647 5.918 1.00 0.00 C ATOM 475 O PHE A 30 1.342 -6.185 7.059 1.00 0.00 O ATOM 476 CB PHE A 30 2.505 -8.542 4.836 1.00 0.00 C ATOM 477 CG PHE A 30 2.532 -9.450 6.034 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.383 -9.678 6.773 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.707 -10.078 6.418 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.403 -10.514 7.872 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.733 -10.914 7.519 1.00 0.00 C ATOM 482 CZ PHE A 30 2.579 -11.134 8.246 1.00 0.00 C ATOM 0 H PHE A 30 3.585 -6.584 6.980 1.00 0.00 H new ATOM 0 HA PHE A 30 2.672 -6.455 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.589 -8.724 4.274 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.338 -8.795 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.460 -9.196 6.486 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.611 -9.912 5.851 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.499 -10.683 8.439 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.655 -11.395 7.811 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.596 -11.789 9.104 1.00 0.00 H new ATOM 492 N LEU A 31 0.178 -6.831 5.236 1.00 0.00 N ATOM 493 CA LEU A 31 -1.120 -6.501 5.809 1.00 0.00 C ATOM 494 C LEU A 31 -2.219 -7.368 5.201 1.00 0.00 C ATOM 495 O LEU A 31 -2.154 -7.732 4.026 1.00 0.00 O ATOM 496 CB LEU A 31 -1.446 -5.029 5.564 1.00 0.00 C ATOM 497 CG LEU A 31 -0.742 -4.038 6.486 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.997 -2.611 6.027 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.203 -4.225 7.924 1.00 0.00 C ATOM 0 H LEU A 31 0.139 -7.206 4.288 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.072 -6.691 6.881 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.189 -4.785 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.522 -4.891 5.666 1.00 0.00 H new ATOM 0 HG LEU A 31 0.330 -4.229 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.488 -1.917 6.696 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.618 -2.482 5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.068 -2.410 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.690 -3.509 8.567 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.279 -4.061 7.985 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.971 -5.238 8.252 1.00 0.00 H new ATOM 511 N THR A 32 -3.224 -7.699 6.006 1.00 0.00 N ATOM 512 CA THR A 32 -4.344 -8.504 5.535 1.00 0.00 C ATOM 513 C THR A 32 -5.390 -7.606 4.882 1.00 0.00 C ATOM 514 O THR A 32 -5.404 -6.401 5.120 1.00 0.00 O ATOM 515 CB THR A 32 -4.994 -9.302 6.680 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.499 -8.407 7.677 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.991 -10.256 7.310 1.00 0.00 C ATOM 0 H THR A 32 -3.285 -7.422 6.986 1.00 0.00 H new ATOM 0 HA THR A 32 -3.956 -9.215 4.806 1.00 0.00 H new ATOM 0 HB THR A 32 -5.817 -9.885 6.266 1.00 0.00 H new ATOM 0 HG1 THR A 32 -4.831 -8.296 8.385 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.472 -10.809 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.630 -10.955 6.555 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.151 -9.688 7.710 1.00 0.00 H new ATOM 525 N LYS A 33 -6.277 -8.194 4.085 1.00 0.00 N ATOM 526 CA LYS A 33 -7.301 -7.416 3.390 1.00 0.00 C ATOM 527 C LYS A 33 -8.075 -6.532 4.363 1.00 0.00 C ATOM 528 O LYS A 33 -8.371 -5.377 4.062 1.00 0.00 O ATOM 529 CB LYS A 33 -8.261 -8.348 2.645 1.00 0.00 C ATOM 530 CG LYS A 33 -8.865 -7.734 1.387 1.00 0.00 C ATOM 531 CD LYS A 33 -9.948 -6.715 1.714 1.00 0.00 C ATOM 532 CE LYS A 33 -10.484 -6.045 0.456 1.00 0.00 C ATOM 533 NZ LYS A 33 -11.726 -5.269 0.725 1.00 0.00 N ATOM 0 H LYS A 33 -6.309 -9.197 3.904 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.802 -6.770 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.729 -9.260 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.067 -8.638 3.319 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.079 -7.253 0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.286 -8.523 0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.765 -7.208 2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.545 -5.958 2.387 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.723 -5.381 0.046 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -10.687 -6.803 -0.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.702 -4.378 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.554 -5.827 0.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.791 -5.060 1.742 1.00 0.00 H new ATOM 547 N GLU A 34 -8.389 -7.073 5.532 1.00 0.00 N ATOM 548 CA GLU A 34 -9.128 -6.316 6.536 1.00 0.00 C ATOM 549 C GLU A 34 -8.269 -5.202 7.133 1.00 0.00 C ATOM 550 O GLU A 34 -8.765 -4.110 7.415 1.00 0.00 O ATOM 551 CB GLU A 34 -9.619 -7.250 7.644 1.00 0.00 C ATOM 552 CG GLU A 34 -8.500 -7.988 8.360 1.00 0.00 C ATOM 553 CD GLU A 34 -9.013 -8.906 9.452 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.143 -8.443 10.604 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.284 -10.089 9.155 1.00 0.00 O ATOM 0 H GLU A 34 -8.147 -8.025 5.808 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.987 -5.856 6.046 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.184 -6.669 8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.307 -7.979 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.933 -8.573 7.635 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.811 -7.263 8.794 1.00 0.00 H new ATOM 562 N GLU A 35 -6.981 -5.481 7.321 1.00 0.00 N ATOM 563 CA GLU A 35 -6.080 -4.484 7.892 1.00 0.00 C ATOM 564 C GLU A 35 -5.772 -3.386 6.884 1.00 0.00 C ATOM 565 O GLU A 35 -5.479 -2.252 7.257 1.00 0.00 O ATOM 566 CB GLU A 35 -4.781 -5.142 8.363 1.00 0.00 C ATOM 567 CG GLU A 35 -4.968 -6.087 9.538 1.00 0.00 C ATOM 568 CD GLU A 35 -3.670 -6.737 9.977 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.339 -7.819 9.450 1.00 0.00 O ATOM 570 OE2 GLU A 35 -2.984 -6.161 10.847 1.00 0.00 O ATOM 0 H GLU A 35 -6.544 -6.373 7.091 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.579 -4.034 8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.340 -5.692 7.532 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.070 -4.364 8.643 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.397 -5.538 10.376 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.684 -6.862 9.265 1.00 0.00 H new ATOM 577 N LEU A 36 -5.841 -3.736 5.606 1.00 0.00 N ATOM 578 CA LEU A 36 -5.556 -2.794 4.532 1.00 0.00 C ATOM 579 C LEU A 36 -6.568 -1.659 4.490 1.00 0.00 C ATOM 580 O LEU A 36 -6.200 -0.489 4.497 1.00 0.00 O ATOM 581 CB LEU A 36 -5.560 -3.528 3.200 1.00 0.00 C ATOM 582 CG LEU A 36 -4.449 -4.557 3.031 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.700 -5.441 1.819 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.104 -3.864 2.917 1.00 0.00 C ATOM 0 H LEU A 36 -6.094 -4.671 5.287 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.575 -2.359 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.521 -4.029 3.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.481 -2.795 2.397 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.440 -5.196 3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.891 -6.166 1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.646 -5.968 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.743 -4.824 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.319 -4.611 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.109 -3.200 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.917 -3.283 3.820 1.00 0.00 H new ATOM 596 N LEU A 37 -7.841 -2.016 4.437 1.00 0.00 N ATOM 597 CA LEU A 37 -8.919 -1.029 4.397 1.00 0.00 C ATOM 598 C LEU A 37 -8.770 -0.002 5.518 1.00 0.00 C ATOM 599 O LEU A 37 -8.979 1.192 5.309 1.00 0.00 O ATOM 600 CB LEU A 37 -10.281 -1.722 4.493 1.00 0.00 C ATOM 601 CG LEU A 37 -10.858 -2.217 3.163 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.137 -1.046 2.232 1.00 0.00 C ATOM 603 CD2 LEU A 37 -9.914 -3.210 2.503 1.00 0.00 C ATOM 0 H LEU A 37 -8.159 -2.985 4.420 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.856 -0.503 3.445 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.191 -2.572 5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.992 -1.029 4.943 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.800 -2.726 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.546 -1.418 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.855 -0.373 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.210 -0.508 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.343 -3.549 1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.955 -2.729 2.313 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.766 -4.065 3.162 1.00 0.00 H new ATOM 615 N GLN A 38 -8.411 -0.477 6.707 1.00 0.00 N ATOM 616 CA GLN A 38 -8.230 0.409 7.852 1.00 0.00 C ATOM 617 C GLN A 38 -6.944 1.216 7.710 1.00 0.00 C ATOM 618 O GLN A 38 -6.895 2.398 8.054 1.00 0.00 O ATOM 619 CB GLN A 38 -8.202 -0.398 9.151 1.00 0.00 C ATOM 620 CG GLN A 38 -9.482 -1.178 9.410 1.00 0.00 C ATOM 621 CD GLN A 38 -9.441 -1.948 10.716 1.00 0.00 C ATOM 622 OE1 GLN A 38 -9.017 -3.103 10.756 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.885 -1.310 11.793 1.00 0.00 N ATOM 0 H GLN A 38 -8.241 -1.464 6.902 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.072 1.100 7.885 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.363 -1.093 9.119 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.024 0.279 9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.326 -0.489 9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.652 -1.873 8.588 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.228 -0.353 11.714 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.883 -1.777 12.700 1.00 0.00 H new ATOM 632 N ARG A 39 -5.906 0.563 7.200 1.00 0.00 N ATOM 633 CA ARG A 39 -4.616 1.202 7.003 1.00 0.00 C ATOM 634 C ARG A 39 -4.708 2.342 5.993 1.00 0.00 C ATOM 635 O ARG A 39 -4.315 3.474 6.272 1.00 0.00 O ATOM 636 CB ARG A 39 -3.624 0.160 6.507 1.00 0.00 C ATOM 637 CG ARG A 39 -2.191 0.488 6.840 1.00 0.00 C ATOM 638 CD ARG A 39 -1.845 0.059 8.251 1.00 0.00 C ATOM 639 NE ARG A 39 -2.575 0.825 9.257 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.628 0.492 10.544 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.996 -0.589 10.979 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.315 1.241 11.397 1.00 0.00 N ATOM 0 H ARG A 39 -5.937 -0.416 6.914 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.286 1.623 7.953 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.877 -0.807 6.941 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.724 0.060 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.527 -0.009 6.133 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.026 1.560 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.069 -1.001 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.774 0.179 8.413 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.073 1.663 8.956 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.467 -1.168 10.326 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.038 -0.842 11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.803 2.073 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.355 0.985 12.383 1.00 0.00 H new ATOM 656 N CYS A 40 -5.230 2.020 4.818 1.00 0.00 N ATOM 657 CA CYS A 40 -5.391 2.995 3.745 1.00 0.00 C ATOM 658 C CYS A 40 -6.315 4.124 4.175 1.00 0.00 C ATOM 659 O CYS A 40 -6.172 5.261 3.726 1.00 0.00 O ATOM 660 CB CYS A 40 -5.942 2.322 2.489 1.00 0.00 C ATOM 661 SG CYS A 40 -7.607 1.645 2.685 1.00 0.00 S ATOM 0 H CYS A 40 -5.553 1.082 4.581 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.410 3.414 3.521 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.949 3.047 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.267 1.519 2.194 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.951 1.694 3.938 1.00 0.00 H new ATOM 667 N ALA A 41 -7.274 3.797 5.036 1.00 0.00 N ATOM 668 CA ALA A 41 -8.227 4.785 5.530 1.00 0.00 C ATOM 669 C ALA A 41 -7.516 6.001 6.117 1.00 0.00 C ATOM 670 O ALA A 41 -8.136 7.042 6.336 1.00 0.00 O ATOM 671 CB ALA A 41 -9.147 4.161 6.568 1.00 0.00 C ATOM 0 H ALA A 41 -7.412 2.856 5.406 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.825 5.123 4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.852 4.911 6.927 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.695 3.333 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.554 3.791 7.404 1.00 0.00 H new ATOM 677 N GLN A 42 -6.215 5.870 6.370 1.00 0.00 N ATOM 678 CA GLN A 42 -5.482 6.998 6.923 1.00 0.00 C ATOM 679 C GLN A 42 -4.723 7.693 5.796 1.00 0.00 C ATOM 680 O GLN A 42 -4.461 8.895 5.846 1.00 0.00 O ATOM 681 CB GLN A 42 -4.515 6.534 8.014 1.00 0.00 C ATOM 682 CG GLN A 42 -5.208 5.890 9.204 1.00 0.00 C ATOM 683 CD GLN A 42 -4.236 5.453 10.282 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.743 4.326 10.269 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.956 6.348 11.223 1.00 0.00 N ATOM 0 H GLN A 42 -5.666 5.026 6.207 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.184 7.697 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.810 5.822 7.585 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.934 7.388 8.361 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.922 6.596 9.629 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.778 5.026 8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.389 7.271 11.194 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.308 6.112 11.975 1.00 0.00 H new ATOM 694 N LYS A 43 -4.374 6.903 4.780 1.00 0.00 N ATOM 695 CA LYS A 43 -3.662 7.398 3.606 1.00 0.00 C ATOM 696 C LYS A 43 -4.465 8.502 2.934 1.00 0.00 C ATOM 697 O LYS A 43 -5.452 8.240 2.246 1.00 0.00 O ATOM 698 CB LYS A 43 -3.402 6.235 2.638 1.00 0.00 C ATOM 699 CG LYS A 43 -2.513 6.593 1.458 1.00 0.00 C ATOM 700 CD LYS A 43 -3.320 7.188 0.320 1.00 0.00 C ATOM 701 CE LYS A 43 -2.431 7.618 -0.835 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.199 8.335 -1.892 1.00 0.00 N ATOM 0 H LYS A 43 -4.577 5.904 4.750 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.703 7.818 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.942 5.414 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.358 5.870 2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.751 7.304 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.991 5.702 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.046 6.456 -0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.884 8.047 0.684 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.638 8.265 -0.461 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.949 6.741 -1.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.090 7.837 -2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.205 8.363 -1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.838 9.306 -1.985 1.00 0.00 H new ATOM 885 N PRO A 56 -9.477 -5.106 -5.573 1.00 0.00 N ATOM 886 CA PRO A 56 -9.093 -6.314 -6.311 1.00 0.00 C ATOM 887 C PRO A 56 -7.907 -6.051 -7.235 1.00 0.00 C ATOM 888 O PRO A 56 -7.283 -6.982 -7.744 1.00 0.00 O ATOM 889 CB PRO A 56 -10.343 -6.651 -7.124 1.00 0.00 C ATOM 890 CG PRO A 56 -11.468 -6.081 -6.334 1.00 0.00 C ATOM 891 CD PRO A 56 -10.927 -4.838 -5.682 1.00 0.00 C ATOM 0 HA PRO A 56 -8.778 -7.122 -5.650 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.297 -6.214 -8.121 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.454 -7.728 -7.253 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.317 -5.847 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.820 -6.792 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.127 -3.951 -6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.378 -4.669 -4.704 1.00 0.00 H new ATOM 899 N ALA A 57 -7.609 -4.769 -7.448 1.00 0.00 N ATOM 900 CA ALA A 57 -6.491 -4.365 -8.293 1.00 0.00 C ATOM 901 C ALA A 57 -5.193 -4.992 -7.801 1.00 0.00 C ATOM 902 O ALA A 57 -4.224 -5.104 -8.550 1.00 0.00 O ATOM 903 CB ALA A 57 -6.372 -2.849 -8.317 1.00 0.00 C ATOM 0 H ALA A 57 -8.131 -3.991 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.678 -4.718 -9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.534 -2.560 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.292 -2.418 -8.712 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.205 -2.481 -7.305 1.00 0.00 H new ATOM 909 N LEU A 58 -5.184 -5.395 -6.534 1.00 0.00 N ATOM 910 CA LEU A 58 -4.010 -6.021 -5.939 1.00 0.00 C ATOM 911 C LEU A 58 -3.560 -7.212 -6.768 1.00 0.00 C ATOM 912 O LEU A 58 -2.368 -7.487 -6.880 1.00 0.00 O ATOM 913 CB LEU A 58 -4.312 -6.468 -4.511 1.00 0.00 C ATOM 914 CG LEU A 58 -3.987 -5.439 -3.432 1.00 0.00 C ATOM 915 CD1 LEU A 58 -4.477 -5.920 -2.080 1.00 0.00 C ATOM 916 CD2 LEU A 58 -2.490 -5.180 -3.390 1.00 0.00 C ATOM 0 H LEU A 58 -5.977 -5.299 -5.900 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.206 -5.285 -5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.369 -6.723 -4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.750 -7.379 -4.305 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.497 -4.506 -3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.238 -5.176 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.556 -6.068 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.989 -6.862 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.270 -4.444 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.966 -6.109 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.159 -4.800 -4.357 1.00 0.00 H new ATOM 928 N ARG A 59 -4.525 -7.921 -7.337 1.00 0.00 N ATOM 929 CA ARG A 59 -4.229 -9.076 -8.169 1.00 0.00 C ATOM 930 C ARG A 59 -3.534 -8.629 -9.450 1.00 0.00 C ATOM 931 O ARG A 59 -2.739 -9.366 -10.031 1.00 0.00 O ATOM 932 CB ARG A 59 -5.517 -9.831 -8.490 1.00 0.00 C ATOM 933 CG ARG A 59 -6.266 -10.283 -7.246 1.00 0.00 C ATOM 934 CD ARG A 59 -7.639 -10.837 -7.591 1.00 0.00 C ATOM 935 NE ARG A 59 -8.374 -11.260 -6.402 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.567 -11.845 -6.440 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.159 -12.077 -7.604 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.171 -12.198 -5.313 1.00 0.00 N ATOM 0 H ARG A 59 -5.519 -7.716 -7.237 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.561 -9.746 -7.628 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.167 -9.192 -9.087 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.279 -10.702 -9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.685 -11.046 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.374 -9.443 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.214 -10.077 -8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.528 -11.683 -8.269 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.947 -11.097 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.699 -11.806 -8.473 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.074 -12.526 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.720 -12.021 -4.415 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.086 -12.647 -5.344 1.00 0.00 H new ATOM 952 N SER A 60 -3.846 -7.408 -9.880 1.00 0.00 N ATOM 953 CA SER A 60 -3.240 -6.846 -11.081 1.00 0.00 C ATOM 954 C SER A 60 -1.790 -6.465 -10.807 1.00 0.00 C ATOM 955 O SER A 60 -0.916 -6.661 -11.652 1.00 0.00 O ATOM 956 CB SER A 60 -4.027 -5.623 -11.556 1.00 0.00 C ATOM 957 OG SER A 60 -3.456 -5.075 -12.731 1.00 0.00 O ATOM 0 H SER A 60 -4.513 -6.792 -9.415 1.00 0.00 H new ATOM 0 HA SER A 60 -3.264 -7.600 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.062 -5.905 -11.748 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.043 -4.869 -10.769 1.00 0.00 H new ATOM 0 HG SER A 60 -3.978 -4.296 -13.015 1.00 0.00 H new ATOM 963 N LEU A 61 -1.541 -5.914 -9.621 1.00 0.00 N ATOM 964 CA LEU A 61 -0.192 -5.520 -9.232 1.00 0.00 C ATOM 965 C LEU A 61 0.637 -6.747 -8.883 1.00 0.00 C ATOM 966 O LEU A 61 1.833 -6.805 -9.172 1.00 0.00 O ATOM 967 CB LEU A 61 -0.224 -4.541 -8.060 1.00 0.00 C ATOM 968 CG LEU A 61 -0.613 -3.113 -8.436 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.125 -2.955 -8.461 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.021 -2.127 -7.475 1.00 0.00 C ATOM 0 H LEU A 61 -2.255 -5.731 -8.916 1.00 0.00 H new ATOM 0 HA LEU A 61 0.273 -5.015 -10.078 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.927 -4.911 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.760 -4.524 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.240 -2.903 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.379 -1.930 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.550 -3.640 -9.195 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.531 -3.182 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.264 -1.113 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.322 -2.335 -6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.106 -2.224 -7.518 1.00 0.00 H new ATOM 982 N LEU A 62 -0.006 -7.724 -8.250 1.00 0.00 N ATOM 983 CA LEU A 62 0.661 -8.966 -7.897 1.00 0.00 C ATOM 984 C LEU A 62 1.200 -9.589 -9.171 1.00 0.00 C ATOM 985 O LEU A 62 2.233 -10.259 -9.175 1.00 0.00 O ATOM 986 CB LEU A 62 -0.327 -9.914 -7.214 1.00 0.00 C ATOM 987 CG LEU A 62 0.228 -10.756 -6.056 1.00 0.00 C ATOM 988 CD1 LEU A 62 1.608 -11.306 -6.388 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.265 -9.942 -4.768 1.00 0.00 C ATOM 0 H LEU A 62 -0.986 -7.677 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 62 1.479 -8.774 -7.203 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.163 -9.324 -6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.728 -10.591 -7.968 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.441 -11.603 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.975 -11.898 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.545 -11.935 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.293 -10.480 -6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.661 -10.557 -3.960 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.904 -9.070 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.744 -9.616 -4.514 1.00 0.00 H new ATOM 1001 N HIS A 63 0.472 -9.348 -10.257 1.00 0.00 N ATOM 1002 CA HIS A 63 0.863 -9.835 -11.566 1.00 0.00 C ATOM 1003 C HIS A 63 2.109 -9.091 -12.021 1.00 0.00 C ATOM 1004 O HIS A 63 2.973 -9.653 -12.693 1.00 0.00 O ATOM 1005 CB HIS A 63 -0.276 -9.633 -12.566 1.00 0.00 C ATOM 1006 CG HIS A 63 0.023 -10.160 -13.935 1.00 0.00 C ATOM 1007 ND1 HIS A 63 -0.329 -11.429 -14.346 1.00 0.00 N ATOM 1008 CD2 HIS A 63 0.639 -9.581 -14.993 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.059 -11.608 -15.596 1.00 0.00 C ATOM 1010 NE2 HIS A 63 0.648 -10.502 -16.012 1.00 0.00 N ATOM 0 H HIS A 63 -0.397 -8.814 -10.251 1.00 0.00 H new ATOM 0 HA HIS A 63 1.081 -10.902 -11.510 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.172 -10.123 -12.186 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.500 -8.569 -12.637 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.047 -8.582 -15.029 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.082 -12.506 -16.179 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.045 -10.355 -16.940 1.00 0.00 H new ATOM 1019 N ARG A 64 2.189 -7.813 -11.648 1.00 0.00 N ATOM 1020 CA ARG A 64 3.340 -6.995 -11.989 1.00 0.00 C ATOM 1021 C ARG A 64 4.464 -7.272 -11.005 1.00 0.00 C ATOM 1022 O ARG A 64 5.585 -6.789 -11.167 1.00 0.00 O ATOM 1023 CB ARG A 64 2.964 -5.514 -11.964 1.00 0.00 C ATOM 1024 CG ARG A 64 1.853 -5.157 -12.937 1.00 0.00 C ATOM 1025 CD ARG A 64 1.556 -3.667 -12.923 1.00 0.00 C ATOM 1026 NE ARG A 64 0.511 -3.309 -13.877 1.00 0.00 N ATOM 1027 CZ ARG A 64 -0.223 -2.203 -13.787 1.00 0.00 C ATOM 1028 NH1 ARG A 64 -0.034 -1.357 -12.784 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -1.149 -1.945 -14.701 1.00 0.00 N ATOM 0 H ARG A 64 1.470 -7.328 -11.111 1.00 0.00 H new ATOM 0 HA ARG A 64 3.674 -7.246 -12.996 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.654 -5.242 -10.955 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.847 -4.919 -12.198 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.138 -5.463 -13.944 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.950 -5.711 -12.679 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.250 -3.368 -11.921 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.466 -3.114 -13.157 1.00 0.00 H new ATOM 0 HE ARG A 64 0.333 -3.942 -14.657 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.676 -1.553 -12.078 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.598 -0.510 -12.718 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.298 -2.595 -15.473 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.712 -1.097 -14.632 1.00 0.00 H new ATOM 1043 N ASN A 65 4.133 -8.047 -9.973 1.00 0.00 N ATOM 1044 CA ASN A 65 5.095 -8.434 -8.946 1.00 0.00 C ATOM 1045 C ASN A 65 5.494 -7.262 -8.055 1.00 0.00 C ATOM 1046 O ASN A 65 6.476 -7.352 -7.321 1.00 0.00 O ATOM 1047 CB ASN A 65 6.343 -9.057 -9.581 1.00 0.00 C ATOM 1048 CG ASN A 65 6.069 -10.407 -10.221 1.00 0.00 C ATOM 1049 OD1 ASN A 65 6.945 -11.270 -10.266 1.00 0.00 O ATOM 1050 ND2 ASN A 65 4.854 -10.596 -10.723 1.00 0.00 N ATOM 0 H ASN A 65 3.196 -8.422 -9.827 1.00 0.00 H new ATOM 0 HA ASN A 65 4.603 -9.175 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 65 6.739 -8.377 -10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.114 -9.172 -8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.618 -11.483 -11.167 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.157 -9.854 -10.665 1.00 0.00 H new ATOM 1057 N LEU A 66 4.745 -6.162 -8.116 1.00 0.00 N ATOM 1058 CA LEU A 66 5.051 -5.012 -7.269 1.00 0.00 C ATOM 1059 C LEU A 66 4.625 -5.316 -5.840 1.00 0.00 C ATOM 1060 O LEU A 66 5.141 -4.741 -4.881 1.00 0.00 O ATOM 1061 CB LEU A 66 4.346 -3.746 -7.754 1.00 0.00 C ATOM 1062 CG LEU A 66 4.357 -3.506 -9.267 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.959 -2.073 -9.569 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.725 -3.803 -9.863 1.00 0.00 C ATOM 0 H LEU A 66 3.939 -6.044 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 66 6.125 -4.833 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.309 -3.781 -7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.809 -2.888 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 66 3.635 -4.185 -9.722 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.970 -1.912 -10.647 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.957 -1.885 -9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.664 -1.392 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.700 -3.623 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.471 -3.154 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.985 -4.845 -9.675 1.00 0.00 H new ATOM 1076 N VAL A 67 3.661 -6.219 -5.722 1.00 0.00 N ATOM 1077 CA VAL A 67 3.164 -6.646 -4.424 1.00 0.00 C ATOM 1078 C VAL A 67 3.432 -8.135 -4.237 1.00 0.00 C ATOM 1079 O VAL A 67 3.842 -8.818 -5.177 1.00 0.00 O ATOM 1080 CB VAL A 67 1.658 -6.359 -4.267 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.418 -4.886 -3.984 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.905 -6.787 -5.507 1.00 0.00 C ATOM 0 H VAL A 67 3.206 -6.671 -6.515 1.00 0.00 H new ATOM 0 HA VAL A 67 3.691 -6.077 -3.658 1.00 0.00 H new ATOM 0 HB VAL A 67 1.288 -6.936 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.348 -4.706 -3.877 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.928 -4.605 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.806 -4.289 -4.810 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.157 -6.577 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.282 -6.237 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.047 -7.856 -5.668 1.00 0.00 H new ATOM 1092 N LEU A 68 3.203 -8.641 -3.034 1.00 0.00 N ATOM 1093 CA LEU A 68 3.451 -10.051 -2.748 1.00 0.00 C ATOM 1094 C LEU A 68 2.313 -10.652 -1.934 1.00 0.00 C ATOM 1095 O LEU A 68 2.114 -10.278 -0.784 1.00 0.00 O ATOM 1096 CB LEU A 68 4.763 -10.190 -1.978 1.00 0.00 C ATOM 1097 CG LEU A 68 5.529 -11.497 -2.209 1.00 0.00 C ATOM 1098 CD1 LEU A 68 6.870 -11.460 -1.492 1.00 0.00 C ATOM 1099 CD2 LEU A 68 4.713 -12.694 -1.743 1.00 0.00 C ATOM 0 H LEU A 68 2.848 -8.103 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 68 3.516 -10.590 -3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.412 -9.357 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.550 -10.097 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 68 5.707 -11.601 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.402 -12.396 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.464 -10.629 -1.873 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.707 -11.329 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.278 -13.610 -1.918 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.500 -12.597 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.776 -12.734 -2.299 1.00 0.00 H new ATOM 1111 N ARG A 69 1.587 -11.599 -2.528 1.00 0.00 N ATOM 1112 CA ARG A 69 0.466 -12.241 -1.841 1.00 0.00 C ATOM 1113 C ARG A 69 0.933 -13.413 -0.991 1.00 0.00 C ATOM 1114 O ARG A 69 1.948 -14.045 -1.283 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.580 -12.734 -2.836 1.00 0.00 C ATOM 1116 CG ARG A 69 -0.004 -13.590 -3.948 1.00 0.00 C ATOM 1117 CD ARG A 69 -1.086 -14.407 -4.634 1.00 0.00 C ATOM 1118 NE ARG A 69 -0.552 -15.206 -5.734 1.00 0.00 N ATOM 1119 CZ ARG A 69 -1.306 -15.954 -6.536 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -2.619 -16.003 -6.361 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -0.746 -16.650 -7.515 1.00 0.00 N ATOM 0 H ARG A 69 1.753 -11.937 -3.476 1.00 0.00 H new ATOM 0 HA ARG A 69 0.020 -11.487 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -1.336 -13.309 -2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -1.085 -11.874 -3.275 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.492 -12.953 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.755 -14.258 -3.540 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.561 -15.064 -3.906 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.860 -13.739 -5.013 1.00 0.00 H new ATOM 0 HE ARG A 69 0.455 -15.190 -5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.054 -15.467 -5.610 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.195 -16.577 -6.977 1.00 0.00 H new ATOM 0 HH21 ARG A 69 0.264 -16.613 -7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -1.325 -17.223 -8.129 1.00 0.00 H new ATOM 1135 N THR A 70 0.178 -13.695 0.064 1.00 0.00 N ATOM 1136 CA THR A 70 0.526 -14.788 0.957 1.00 0.00 C ATOM 1137 C THR A 70 -0.627 -15.788 1.108 1.00 0.00 C ATOM 1138 O THR A 70 -1.649 -15.691 0.433 1.00 0.00 O ATOM 1139 CB THR A 70 0.977 -14.255 2.330 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.798 -13.097 2.144 1.00 0.00 O ATOM 1141 CG2 THR A 70 1.776 -15.297 3.096 1.00 0.00 C ATOM 0 H THR A 70 -0.669 -13.187 0.318 1.00 0.00 H new ATOM 0 HA THR A 70 1.363 -15.322 0.507 1.00 0.00 H new ATOM 0 HB THR A 70 0.083 -14.008 2.903 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.288 -12.407 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.078 -14.887 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.161 -16.183 3.255 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.663 -15.569 2.523 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.413 -16.773 1.969 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.366 -17.852 2.226 1.00 0.00 C ATOM 1151 C HIS A 71 -2.849 -17.449 2.239 1.00 0.00 C ATOM 1152 O HIS A 71 -3.624 -17.924 1.408 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.040 -18.384 3.609 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.341 -19.703 3.622 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -0.975 -20.904 3.386 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.958 -20.001 3.851 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.094 -21.887 3.470 1.00 0.00 C ATOM 1158 NE2 HIS A 71 1.087 -21.364 3.752 1.00 0.00 N ATOM 0 H HIS A 71 0.442 -16.849 2.520 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.258 -18.565 1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.418 -17.654 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.966 -18.474 4.176 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.747 -19.297 4.071 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.304 -22.937 3.332 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.953 -21.888 3.876 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.231 -16.563 3.164 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.645 -16.160 3.236 1.00 0.00 C ATOM 1169 C GLN A 72 -4.884 -15.263 4.460 1.00 0.00 C ATOM 1170 O GLN A 72 -4.287 -15.493 5.511 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.543 -17.405 3.334 1.00 0.00 C ATOM 1172 CG GLN A 72 -7.006 -17.096 3.614 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.862 -18.346 3.694 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.411 -18.801 2.690 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.979 -18.909 4.891 1.00 0.00 N ATOM 0 H GLN A 72 -2.614 -16.125 3.848 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.891 -15.604 2.332 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.473 -17.964 2.401 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.162 -18.053 4.123 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.084 -16.546 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.392 -16.445 2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.507 -18.498 5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.541 -19.752 5.005 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.754 -14.225 4.361 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.508 -13.872 3.142 1.00 0.00 C ATOM 1186 C PRO A 73 -5.600 -13.420 2.012 1.00 0.00 C ATOM 1187 O PRO A 73 -6.057 -12.827 1.034 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.414 -12.716 3.587 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.423 -12.779 5.077 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.078 -13.314 5.469 1.00 0.00 C ATOM 0 HA PRO A 73 -7.055 -14.729 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.031 -11.758 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.420 -12.825 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.593 -11.793 5.509 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.222 -13.427 5.437 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.339 -12.518 5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.113 -13.836 6.425 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.314 -13.695 2.196 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.279 -13.365 1.227 1.00 0.00 C ATOM 1200 C ALA A 74 -2.548 -12.115 1.662 1.00 0.00 C ATOM 1201 O ALA A 74 -2.837 -11.016 1.194 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.816 -13.225 -0.193 1.00 0.00 C ATOM 0 H ALA A 74 -3.958 -14.159 3.032 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.579 -14.200 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.997 -12.979 -0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.273 -14.165 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.563 -12.431 -0.223 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.608 -12.293 2.579 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.839 -11.164 3.076 1.00 0.00 C ATOM 1210 C ARG A 75 -0.090 -10.510 1.917 1.00 0.00 C ATOM 1211 O ARG A 75 0.566 -11.192 1.133 1.00 0.00 O ATOM 1212 CB ARG A 75 0.135 -11.640 4.158 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.500 -12.597 5.161 1.00 0.00 C ATOM 1214 CD ARG A 75 0.537 -13.479 5.843 1.00 0.00 C ATOM 1215 NE ARG A 75 0.035 -14.049 7.090 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.775 -14.779 7.918 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.047 -15.028 7.635 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.244 -15.261 9.033 1.00 0.00 N ATOM 0 H ARG A 75 -1.363 -13.194 2.988 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.508 -10.426 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.983 -12.133 3.683 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.527 -10.774 4.691 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.042 -12.025 5.915 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.231 -13.225 4.651 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.829 -14.284 5.168 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.433 -12.893 6.047 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.939 -13.877 7.340 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.461 -14.659 6.779 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.611 -15.589 8.273 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.733 -15.072 9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.813 -15.821 9.668 1.00 0.00 H new ATOM 1232 N TYR A 76 -0.198 -9.188 1.805 1.00 0.00 N ATOM 1233 CA TYR A 76 0.469 -8.476 0.724 1.00 0.00 C ATOM 1234 C TYR A 76 1.700 -7.735 1.226 1.00 0.00 C ATOM 1235 O TYR A 76 1.721 -7.239 2.350 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.503 -7.514 0.040 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.630 -8.224 -0.677 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.441 -8.759 -1.946 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.877 -8.371 -0.083 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.463 -9.419 -2.603 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.905 -9.028 -0.735 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.693 -9.551 -1.994 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.712 -10.206 -2.644 1.00 0.00 O ATOM 0 H TYR A 76 -0.734 -8.597 2.441 1.00 0.00 H new ATOM 0 HA TYR A 76 0.803 -9.211 -0.008 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.922 -6.839 0.786 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.045 -6.899 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.479 -8.657 -2.427 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.047 -7.966 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.299 -9.829 -3.588 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.870 -9.131 -0.260 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.511 -10.212 -2.077 1.00 0.00 H new ATOM 1253 N SER A 77 2.722 -7.661 0.380 1.00 0.00 N ATOM 1254 CA SER A 77 3.958 -6.988 0.759 1.00 0.00 C ATOM 1255 C SER A 77 4.556 -6.236 -0.424 1.00 0.00 C ATOM 1256 O SER A 77 4.275 -6.550 -1.578 1.00 0.00 O ATOM 1257 CB SER A 77 4.970 -8.003 1.296 1.00 0.00 C ATOM 1258 OG SER A 77 6.183 -7.369 1.661 1.00 0.00 O ATOM 0 H SER A 77 2.720 -8.054 -0.561 1.00 0.00 H new ATOM 0 HA SER A 77 3.723 -6.267 1.542 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.550 -8.517 2.161 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.166 -8.762 0.538 1.00 0.00 H new ATOM 0 HG SER A 77 6.139 -7.095 2.601 1.00 0.00 H new ATOM 1264 N LEU A 78 5.383 -5.241 -0.125 1.00 0.00 N ATOM 1265 CA LEU A 78 6.022 -4.444 -1.165 1.00 0.00 C ATOM 1266 C LEU A 78 7.310 -5.094 -1.655 1.00 0.00 C ATOM 1267 O LEU A 78 8.167 -5.476 -0.858 1.00 0.00 O ATOM 1268 CB LEU A 78 6.351 -3.044 -0.644 1.00 0.00 C ATOM 1269 CG LEU A 78 5.166 -2.099 -0.439 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.670 -0.681 -0.251 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.202 -2.163 -1.612 1.00 0.00 C ATOM 0 H LEU A 78 5.626 -4.967 0.827 1.00 0.00 H new ATOM 0 HA LEU A 78 5.318 -4.378 -1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.874 -3.147 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.046 -2.575 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 78 4.626 -2.413 0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.823 -0.010 -0.105 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.321 -0.639 0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.229 -0.373 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.370 -1.481 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 78 4.722 -1.875 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.822 -3.179 -1.715 1.00 0.00 H new ATOM 1283 N THR A 79 7.437 -5.218 -2.971 1.00 0.00 N ATOM 1284 CA THR A 79 8.633 -5.785 -3.568 1.00 0.00 C ATOM 1285 C THR A 79 9.555 -4.639 -3.997 1.00 0.00 C ATOM 1286 O THR A 79 9.210 -3.482 -3.782 1.00 0.00 O ATOM 1287 CB THR A 79 8.260 -6.671 -4.770 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.855 -6.593 -5.007 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.650 -8.123 -4.525 1.00 0.00 C ATOM 0 H THR A 79 6.724 -4.932 -3.642 1.00 0.00 H new ATOM 0 HA THR A 79 9.151 -6.413 -2.843 1.00 0.00 H new ATOM 0 HB THR A 79 8.806 -6.308 -5.641 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.602 -7.247 -5.692 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.374 -8.725 -5.391 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.726 -8.189 -4.365 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.129 -8.496 -3.643 1.00 0.00 H new ATOM 1297 N PRO A 80 10.734 -4.911 -4.592 1.00 0.00 N ATOM 1298 CA PRO A 80 11.652 -3.847 -5.016 1.00 0.00 C ATOM 1299 C PRO A 80 10.956 -2.690 -5.726 1.00 0.00 C ATOM 1300 O PRO A 80 11.173 -1.528 -5.386 1.00 0.00 O ATOM 1301 CB PRO A 80 12.576 -4.576 -5.984 1.00 0.00 C ATOM 1302 CG PRO A 80 12.652 -5.960 -5.444 1.00 0.00 C ATOM 1303 CD PRO A 80 11.295 -6.253 -4.863 1.00 0.00 C ATOM 0 HA PRO A 80 12.150 -3.381 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.178 -4.566 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.560 -4.109 -6.023 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.902 -6.672 -6.230 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.428 -6.040 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.673 -6.814 -5.561 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.369 -6.848 -3.953 1.00 0.00 H new ATOM 1311 N GLU A 81 10.119 -3.007 -6.704 1.00 0.00 N ATOM 1312 CA GLU A 81 9.410 -1.977 -7.451 1.00 0.00 C ATOM 1313 C GLU A 81 8.396 -1.243 -6.573 1.00 0.00 C ATOM 1314 O GLU A 81 8.383 -0.015 -6.532 1.00 0.00 O ATOM 1315 CB GLU A 81 8.713 -2.591 -8.662 1.00 0.00 C ATOM 1316 CG GLU A 81 9.668 -3.255 -9.640 1.00 0.00 C ATOM 1317 CD GLU A 81 8.959 -3.823 -10.854 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.802 -3.085 -11.848 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.561 -5.007 -10.809 1.00 0.00 O ATOM 0 H GLU A 81 9.915 -3.962 -6.997 1.00 0.00 H new ATOM 0 HA GLU A 81 10.144 -1.247 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.987 -3.328 -8.318 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.155 -1.813 -9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.412 -2.528 -9.966 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.206 -4.055 -9.131 1.00 0.00 H new ATOM 1326 N GLY A 82 7.545 -1.997 -5.877 1.00 0.00 N ATOM 1327 CA GLY A 82 6.555 -1.366 -5.017 1.00 0.00 C ATOM 1328 C GLY A 82 7.197 -0.557 -3.912 1.00 0.00 C ATOM 1329 O GLY A 82 6.592 0.368 -3.376 1.00 0.00 O ATOM 0 H GLY A 82 7.522 -3.017 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.915 -0.718 -5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.914 -2.132 -4.580 1.00 0.00 H new ATOM 1333 N LEU A 83 8.430 -0.913 -3.573 1.00 0.00 N ATOM 1334 CA LEU A 83 9.166 -0.218 -2.532 1.00 0.00 C ATOM 1335 C LEU A 83 9.598 1.149 -3.030 1.00 0.00 C ATOM 1336 O LEU A 83 9.345 2.167 -2.388 1.00 0.00 O ATOM 1337 CB LEU A 83 10.392 -1.030 -2.113 1.00 0.00 C ATOM 1338 CG LEU A 83 10.578 -1.208 -0.602 1.00 0.00 C ATOM 1339 CD1 LEU A 83 10.656 0.139 0.099 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.448 -2.041 -0.023 1.00 0.00 C ATOM 0 H LEU A 83 8.940 -1.682 -4.007 1.00 0.00 H new ATOM 0 HA LEU A 83 8.515 -0.096 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.328 -2.016 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.282 -0.547 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 83 11.519 -1.732 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 83 10.788 -0.015 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.501 0.705 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 83 9.735 0.694 -0.077 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.595 -2.158 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.497 -1.541 -0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.440 -3.023 -0.497 1.00 0.00 H new ATOM 1352 N GLU A 84 10.250 1.160 -4.187 1.00 0.00 N ATOM 1353 CA GLU A 84 10.713 2.408 -4.784 1.00 0.00 C ATOM 1354 C GLU A 84 9.524 3.288 -5.109 1.00 0.00 C ATOM 1355 O GLU A 84 9.478 4.457 -4.732 1.00 0.00 O ATOM 1356 CB GLU A 84 11.513 2.143 -6.062 1.00 0.00 C ATOM 1357 CG GLU A 84 12.690 1.209 -5.864 1.00 0.00 C ATOM 1358 CD GLU A 84 13.513 1.032 -7.125 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.203 0.111 -7.912 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.466 1.812 -7.328 1.00 0.00 O ATOM 0 H GLU A 84 10.469 0.324 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 84 11.363 2.909 -4.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.848 1.720 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.877 3.092 -6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.328 1.598 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.326 0.237 -5.533 1.00 0.00 H new ATOM 1367 N LEU A 85 8.560 2.698 -5.802 1.00 0.00 N ATOM 1368 CA LEU A 85 7.355 3.411 -6.185 1.00 0.00 C ATOM 1369 C LEU A 85 6.705 4.046 -4.964 1.00 0.00 C ATOM 1370 O LEU A 85 6.392 5.235 -4.962 1.00 0.00 O ATOM 1371 CB LEU A 85 6.383 2.443 -6.869 1.00 0.00 C ATOM 1372 CG LEU A 85 5.081 3.062 -7.382 1.00 0.00 C ATOM 1373 CD1 LEU A 85 4.538 2.253 -8.551 1.00 0.00 C ATOM 1374 CD2 LEU A 85 4.047 3.130 -6.268 1.00 0.00 C ATOM 0 H LEU A 85 8.591 1.726 -6.110 1.00 0.00 H new ATOM 0 HA LEU A 85 7.615 4.206 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.896 1.974 -7.709 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.134 1.649 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 85 5.292 4.076 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.612 2.704 -8.906 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.270 2.244 -9.358 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.343 1.231 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.128 3.573 -6.651 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.840 2.124 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.431 3.741 -5.452 1.00 0.00 H new ATOM 1386 N ALA A 86 6.521 3.246 -3.919 1.00 0.00 N ATOM 1387 CA ALA A 86 5.899 3.731 -2.691 1.00 0.00 C ATOM 1388 C ALA A 86 6.685 4.890 -2.094 1.00 0.00 C ATOM 1389 O ALA A 86 6.099 5.841 -1.580 1.00 0.00 O ATOM 1390 CB ALA A 86 5.760 2.603 -1.683 1.00 0.00 C ATOM 0 H ALA A 86 6.792 2.263 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 86 4.904 4.098 -2.942 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.294 2.983 -0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.140 1.812 -2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.746 2.203 -1.446 1.00 0.00 H new ATOM 1396 N GLN A 87 8.011 4.806 -2.152 1.00 0.00 N ATOM 1397 CA GLN A 87 8.852 5.877 -1.630 1.00 0.00 C ATOM 1398 C GLN A 87 8.503 7.181 -2.329 1.00 0.00 C ATOM 1399 O GLN A 87 8.575 8.260 -1.742 1.00 0.00 O ATOM 1400 CB GLN A 87 10.334 5.552 -1.832 1.00 0.00 C ATOM 1401 CG GLN A 87 10.853 4.464 -0.908 1.00 0.00 C ATOM 1402 CD GLN A 87 12.316 4.144 -1.146 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.201 4.747 -0.540 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.577 3.189 -2.032 1.00 0.00 N ATOM 0 H GLN A 87 8.521 4.017 -2.550 1.00 0.00 H new ATOM 0 HA GLN A 87 8.670 5.977 -0.560 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.491 5.244 -2.866 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.920 6.458 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.717 4.777 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.260 3.560 -1.048 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.812 2.715 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.543 2.930 -2.233 1.00 0.00 H new ATOM 1413 N LYS A 88 8.121 7.057 -3.595 1.00 0.00 N ATOM 1414 CA LYS A 88 7.746 8.214 -4.394 1.00 0.00 C ATOM 1415 C LYS A 88 6.398 8.768 -3.948 1.00 0.00 C ATOM 1416 O LYS A 88 6.262 9.961 -3.680 1.00 0.00 O ATOM 1417 CB LYS A 88 7.681 7.817 -5.863 1.00 0.00 C ATOM 1418 CG LYS A 88 8.865 6.974 -6.309 1.00 0.00 C ATOM 1419 CD LYS A 88 8.783 6.605 -7.780 1.00 0.00 C ATOM 1420 CE LYS A 88 9.863 5.600 -8.160 1.00 0.00 C ATOM 1421 NZ LYS A 88 9.804 5.243 -9.605 1.00 0.00 N ATOM 0 H LYS A 88 8.063 6.166 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 88 8.498 8.991 -4.256 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.760 7.262 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.634 8.718 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.789 7.522 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.908 6.065 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.801 6.186 -7.998 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.889 7.503 -8.389 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.844 6.016 -7.928 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.748 4.699 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.555 4.557 -9.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.877 4.823 -9.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.939 6.099 -10.180 1.00 0.00 H new ATOM 1435 N LEU A 89 5.402 7.893 -3.885 1.00 0.00 N ATOM 1436 CA LEU A 89 4.073 8.289 -3.456 1.00 0.00 C ATOM 1437 C LEU A 89 4.137 8.876 -2.057 1.00 0.00 C ATOM 1438 O LEU A 89 3.295 9.682 -1.658 1.00 0.00 O ATOM 1439 CB LEU A 89 3.145 7.077 -3.478 1.00 0.00 C ATOM 1440 CG LEU A 89 2.654 6.655 -4.864 1.00 0.00 C ATOM 1441 CD1 LEU A 89 3.815 6.460 -5.826 1.00 0.00 C ATOM 1442 CD2 LEU A 89 1.830 5.380 -4.768 1.00 0.00 C ATOM 0 H LEU A 89 5.492 6.906 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 89 3.684 9.046 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.664 6.234 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.278 7.292 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 89 2.025 7.455 -5.254 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.433 6.160 -6.802 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.367 7.395 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.479 5.685 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.488 5.092 -5.762 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.443 4.581 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.968 5.551 -4.123 1.00 0.00 H new ATOM 1454 N ALA A 90 5.153 8.451 -1.323 1.00 0.00 N ATOM 1455 CA ALA A 90 5.353 8.916 0.044 1.00 0.00 C ATOM 1456 C ALA A 90 5.832 10.363 0.071 1.00 0.00 C ATOM 1457 O ALA A 90 5.524 11.112 0.997 1.00 0.00 O ATOM 1458 CB ALA A 90 6.344 8.013 0.758 1.00 0.00 C ATOM 0 H ALA A 90 5.853 7.785 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 90 4.396 8.875 0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.488 8.367 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.958 6.994 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.297 8.030 0.230 1.00 0.00 H new ATOM 1464 N GLU A 91 6.586 10.745 -0.953 1.00 0.00 N ATOM 1465 CA GLU A 91 7.102 12.107 -1.046 1.00 0.00 C ATOM 1466 C GLU A 91 5.959 13.104 -0.965 1.00 0.00 C ATOM 1467 O GLU A 91 6.043 14.121 -0.276 1.00 0.00 O ATOM 1468 CB GLU A 91 7.863 12.310 -2.355 1.00 0.00 C ATOM 1469 CG GLU A 91 8.794 11.165 -2.683 1.00 0.00 C ATOM 1470 CD GLU A 91 9.485 11.339 -4.022 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.858 11.036 -5.058 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.654 11.778 -4.033 1.00 0.00 O ATOM 0 H GLU A 91 6.853 10.136 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 91 7.786 12.269 -0.213 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.148 12.434 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.439 13.233 -2.294 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.546 11.077 -1.899 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.229 10.233 -2.688 1.00 0.00 H new ATOM 1479 N SER A 92 4.890 12.792 -1.685 1.00 0.00 N ATOM 1480 CA SER A 92 3.711 13.642 -1.713 1.00 0.00 C ATOM 1481 C SER A 92 3.092 13.776 -0.323 1.00 0.00 C ATOM 1482 O SER A 92 2.484 14.797 -0.002 1.00 0.00 O ATOM 1483 CB SER A 92 2.693 13.065 -2.693 1.00 0.00 C ATOM 1484 OG SER A 92 1.543 13.887 -2.784 1.00 0.00 O ATOM 0 H SER A 92 4.817 11.952 -2.259 1.00 0.00 H new ATOM 0 HA SER A 92 4.008 14.638 -2.040 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.150 12.964 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.403 12.064 -2.372 1.00 0.00 H new ATOM 0 HG SER A 92 0.909 13.494 -3.420 1.00 0.00 H new ATOM 1490 N GLU A 93 3.251 12.740 0.498 1.00 0.00 N ATOM 1491 CA GLU A 93 2.709 12.749 1.849 1.00 0.00 C ATOM 1492 C GLU A 93 3.746 13.272 2.830 1.00 0.00 C ATOM 1493 O GLU A 93 3.493 13.356 4.032 1.00 0.00 O ATOM 1494 CB GLU A 93 2.313 11.331 2.260 1.00 0.00 C ATOM 1495 CG GLU A 93 1.560 10.563 1.192 1.00 0.00 C ATOM 1496 CD GLU A 93 0.163 11.103 0.958 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.768 10.666 1.666 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.001 11.963 0.067 1.00 0.00 O ATOM 0 H GLU A 93 3.750 11.886 0.249 1.00 0.00 H new ATOM 0 HA GLU A 93 1.834 13.398 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.213 10.776 2.524 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.696 11.383 3.157 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.121 10.602 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.496 9.514 1.482 1.00 0.00 H new ATOM 1505 N GLY A 94 4.912 13.625 2.307 1.00 0.00 N ATOM 1506 CA GLY A 94 5.974 14.091 3.173 1.00 0.00 C ATOM 1507 C GLY A 94 6.700 12.915 3.785 1.00 0.00 C ATOM 1508 O GLY A 94 7.659 13.077 4.540 1.00 0.00 O ATOM 0 H GLY A 94 5.139 13.598 1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.674 14.705 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.561 14.723 3.960 1.00 0.00 H new ATOM 1512 N LEU A 95 6.211 11.722 3.446 1.00 0.00 N ATOM 1513 CA LEU A 95 6.782 10.476 3.934 1.00 0.00 C ATOM 1514 C LEU A 95 6.555 10.327 5.434 1.00 0.00 C ATOM 1515 O LEU A 95 7.290 9.619 6.122 1.00 0.00 O ATOM 1516 CB LEU A 95 8.273 10.404 3.605 1.00 0.00 C ATOM 1517 CG LEU A 95 8.753 9.066 3.030 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.268 8.965 3.104 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.098 7.896 3.754 1.00 0.00 C ATOM 0 H LEU A 95 5.410 11.597 2.827 1.00 0.00 H new ATOM 0 HA LEU A 95 6.278 9.650 3.431 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.509 11.193 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.839 10.615 4.512 1.00 0.00 H new ATOM 0 HG LEU A 95 8.457 9.021 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.589 8.009 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.715 9.777 2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.587 9.037 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.455 6.958 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.354 7.934 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.016 7.958 3.640 1.00 0.00 H new ATOM 1531 N SER A 96 5.521 10.998 5.928 1.00 0.00 N ATOM 1532 CA SER A 96 5.177 10.944 7.343 1.00 0.00 C ATOM 1533 C SER A 96 4.125 9.865 7.596 1.00 0.00 C ATOM 1534 O SER A 96 3.140 10.098 8.297 1.00 0.00 O ATOM 1535 CB SER A 96 4.661 12.305 7.814 1.00 0.00 C ATOM 1536 OG SER A 96 4.362 12.286 9.199 1.00 0.00 O ATOM 0 H SER A 96 4.905 11.587 5.368 1.00 0.00 H new ATOM 0 HA SER A 96 6.074 10.693 7.909 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.409 13.071 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.768 12.574 7.250 1.00 0.00 H new ATOM 0 HG SER A 96 3.699 11.588 9.381 1.00 0.00 H new ATOM 1542 N LEU A 97 4.348 8.682 7.029 1.00 0.00 N ATOM 1543 CA LEU A 97 3.406 7.582 7.203 1.00 0.00 C ATOM 1544 C LEU A 97 3.642 6.880 8.535 1.00 0.00 C ATOM 1545 O LEU A 97 2.836 7.001 9.457 1.00 0.00 O ATOM 1546 CB LEU A 97 3.527 6.581 6.050 1.00 0.00 C ATOM 1547 CG LEU A 97 3.126 7.114 4.672 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.174 8.081 4.136 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.915 5.964 3.701 1.00 0.00 C ATOM 0 H LEU A 97 5.161 8.463 6.453 1.00 0.00 H new ATOM 0 HA LEU A 97 2.397 7.995 7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.559 6.233 6.000 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.909 5.713 6.279 1.00 0.00 H new ATOM 0 HG LEU A 97 2.187 7.658 4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.866 8.445 3.156 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.276 8.923 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.131 7.567 4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.630 6.359 2.726 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.839 5.394 3.606 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.124 5.313 4.074 1.00 0.00 H new