USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 560 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 9 TYR OH : rot 165:sc= 0.272 USER MOD Set 1.2: A 32 LYS NZ :NH3+ 172:sc= 1.77 (180deg=-0.166) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.294 F(o=-1.3,f=-0.29) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -5.07! C(o=-5.1!,f=-7!) USER MOD Single : A 16 GLN : amide:sc= -0.0266 X(o=-0.027,f=-0.31) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0973 USER MOD Single : A 39 THR OG1 : rot 26:sc= 0.229 USER MOD Single : A 43 THR OG1 : rot 170:sc= -0.254 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 30:sc= 0 USER MOD Single : A 59 SER OG : rot -21:sc= 0.0856 USER MOD Single : A 62 CYS SG : rot -79:sc= -2.07 USER MOD Single : A 64 LYS NZ :NH3+ -136:sc= -0.0398 (180deg=-1.59) USER MOD Single : A 69 SER OG : rot 78:sc= 1.09 USER MOD Single : A 70 HIS : no HD1:sc= -2.9 K(o=-2.9,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 5.713 1.717 -11.296 1.00 0.00 N ATOM 35 CA VAL A 3 5.597 2.285 -9.923 1.00 0.00 C ATOM 36 C VAL A 3 5.244 3.772 -10.010 1.00 0.00 C ATOM 37 O VAL A 3 5.788 4.504 -10.812 1.00 0.00 O ATOM 38 CB VAL A 3 6.929 2.116 -9.191 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.203 0.626 -8.973 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.057 2.720 -10.031 1.00 0.00 C ATOM 0 HA VAL A 3 4.812 1.761 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 3 6.880 2.625 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.152 0.503 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.401 0.192 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.251 0.120 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.005 2.599 -9.508 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.106 2.211 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.864 3.781 -10.191 1.00 0.00 H new ATOM 50 N ALA A 4 4.331 4.227 -9.190 1.00 0.00 N ATOM 51 CA ALA A 4 3.940 5.671 -9.227 1.00 0.00 C ATOM 52 C ALA A 4 4.745 6.446 -8.181 1.00 0.00 C ATOM 53 O ALA A 4 5.330 5.868 -7.288 1.00 0.00 O ATOM 54 CB ALA A 4 2.448 5.800 -8.917 1.00 0.00 C ATOM 0 H ALA A 4 3.839 3.663 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 4 4.145 6.078 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.160 6.851 -8.943 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.873 5.248 -9.660 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.246 5.393 -7.926 1.00 0.00 H new ATOM 60 N HIS A 5 4.776 7.753 -8.292 1.00 0.00 N ATOM 61 CA HIS A 5 5.540 8.593 -7.314 1.00 0.00 C ATOM 62 C HIS A 5 4.578 9.535 -6.591 1.00 0.00 C ATOM 63 O HIS A 5 3.624 10.023 -7.162 1.00 0.00 O ATOM 64 CB HIS A 5 6.588 9.419 -8.066 1.00 0.00 C ATOM 65 CG HIS A 5 7.280 8.546 -9.074 1.00 0.00 C ATOM 66 ND1 HIS A 5 7.616 7.216 -9.053 1.00 0.00 N flip ATOM 67 CD2 HIS A 5 7.718 9.030 -10.296 1.00 0.00 C flip ATOM 68 CE1 HIS A 5 8.252 6.876 -10.243 1.00 0.00 C flip ATOM 69 NE2 HIS A 5 8.288 8.005 -10.956 1.00 0.00 N flip ATOM 0 H HIS A 5 4.300 8.279 -9.025 1.00 0.00 H new ATOM 0 HA HIS A 5 6.033 7.948 -6.587 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.112 10.263 -8.565 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.314 9.831 -7.365 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.620 10.044 -10.654 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.634 5.907 -10.529 1.00 0.00 H new ATOM 0 HE2 HIS A 5 8.698 8.081 -11.887 1.00 0.00 H new ATOM 77 N TYR A 6 4.822 9.795 -5.334 1.00 0.00 N ATOM 78 CA TYR A 6 3.922 10.709 -4.570 1.00 0.00 C ATOM 79 C TYR A 6 4.705 11.375 -3.435 1.00 0.00 C ATOM 80 O TYR A 6 5.225 10.718 -2.555 1.00 0.00 O ATOM 81 CB TYR A 6 2.757 9.911 -3.983 1.00 0.00 C ATOM 82 CG TYR A 6 1.787 10.857 -3.313 1.00 0.00 C ATOM 83 CD1 TYR A 6 0.951 11.664 -4.093 1.00 0.00 C ATOM 84 CD2 TYR A 6 1.726 10.930 -1.914 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.052 12.544 -3.478 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.826 11.811 -1.299 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.011 12.617 -2.081 1.00 0.00 C ATOM 88 OH TYR A 6 -0.897 13.484 -1.475 1.00 0.00 O ATOM 0 H TYR A 6 5.605 9.414 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 6 3.536 11.475 -5.242 1.00 0.00 H new ATOM 0 HB2 TYR A 6 2.252 9.352 -4.770 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.128 9.182 -3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.999 11.608 -5.170 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.372 10.308 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.593 13.166 -4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.778 11.868 -0.222 1.00 0.00 H new ATOM 0 HH TYR A 6 -0.814 13.409 -0.501 1.00 0.00 H new ATOM 98 N ARG A 7 4.781 12.676 -3.448 1.00 0.00 N ATOM 99 CA ARG A 7 5.518 13.404 -2.373 1.00 0.00 C ATOM 100 C ARG A 7 6.933 12.832 -2.222 1.00 0.00 C ATOM 101 O ARG A 7 7.506 12.852 -1.153 1.00 0.00 O ATOM 102 CB ARG A 7 4.761 13.255 -1.046 1.00 0.00 C ATOM 103 CG ARG A 7 3.301 13.715 -1.200 1.00 0.00 C ATOM 104 CD ARG A 7 3.221 15.245 -1.309 1.00 0.00 C ATOM 105 NE ARG A 7 1.786 15.663 -1.317 1.00 0.00 N ATOM 106 CZ ARG A 7 1.132 15.785 -2.446 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.711 15.494 -3.580 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.110 16.188 -2.436 1.00 0.00 N ATOM 0 H ARG A 7 4.362 13.272 -4.162 1.00 0.00 H new ATOM 0 HA ARG A 7 5.589 14.458 -2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.788 12.215 -0.721 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.254 13.844 -0.272 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.863 13.259 -2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.716 13.375 -0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.743 15.709 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.716 15.583 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 7 1.311 15.855 -0.435 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.678 15.170 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.196 15.591 -4.455 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.568 16.407 -1.551 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.622 16.284 -3.313 1.00 0.00 H new ATOM 122 N GLY A 8 7.511 12.346 -3.288 1.00 0.00 N ATOM 123 CA GLY A 8 8.901 11.801 -3.206 1.00 0.00 C ATOM 124 C GLY A 8 8.880 10.328 -2.790 1.00 0.00 C ATOM 125 O GLY A 8 9.916 9.720 -2.611 1.00 0.00 O ATOM 0 H GLY A 8 7.082 12.302 -4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.395 11.904 -4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.482 12.379 -2.487 1.00 0.00 H new ATOM 129 N TYR A 9 7.716 9.747 -2.636 1.00 0.00 N ATOM 130 CA TYR A 9 7.631 8.305 -2.233 1.00 0.00 C ATOM 131 C TYR A 9 7.209 7.462 -3.437 1.00 0.00 C ATOM 132 O TYR A 9 6.315 7.823 -4.176 1.00 0.00 O ATOM 133 CB TYR A 9 6.600 8.150 -1.114 1.00 0.00 C ATOM 134 CG TYR A 9 7.120 8.813 0.140 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.028 10.199 0.281 1.00 0.00 C ATOM 136 CD2 TYR A 9 7.698 8.043 1.156 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.511 10.821 1.437 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.182 8.664 2.315 1.00 0.00 C ATOM 139 CZ TYR A 9 8.088 10.054 2.454 1.00 0.00 C ATOM 140 OH TYR A 9 8.565 10.666 3.595 1.00 0.00 O ATOM 0 H TYR A 9 6.817 10.209 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 9 8.605 7.968 -1.879 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.653 8.601 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.406 7.094 -0.927 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.583 10.792 -0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.771 6.971 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.438 11.893 1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.627 8.071 3.100 1.00 0.00 H new ATOM 0 HH TYR A 9 8.710 9.992 4.292 1.00 0.00 H new ATOM 150 N GLU A 10 7.844 6.337 -3.639 1.00 0.00 N ATOM 151 CA GLU A 10 7.480 5.467 -4.795 1.00 0.00 C ATOM 152 C GLU A 10 6.416 4.466 -4.348 1.00 0.00 C ATOM 153 O GLU A 10 6.415 4.018 -3.218 1.00 0.00 O ATOM 154 CB GLU A 10 8.719 4.709 -5.276 1.00 0.00 C ATOM 155 CG GLU A 10 9.710 5.695 -5.896 1.00 0.00 C ATOM 156 CD GLU A 10 10.991 4.957 -6.284 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.052 3.759 -6.058 1.00 0.00 O ATOM 158 OE2 GLU A 10 11.890 5.600 -6.798 1.00 0.00 O ATOM 0 H GLU A 10 8.600 5.983 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 10 7.094 6.080 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.185 4.185 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.435 3.953 -6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.269 6.166 -6.775 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.937 6.492 -5.188 1.00 0.00 H new ATOM 165 N ILE A 11 5.506 4.119 -5.228 1.00 0.00 N ATOM 166 CA ILE A 11 4.420 3.149 -4.873 1.00 0.00 C ATOM 167 C ILE A 11 4.519 1.912 -5.770 1.00 0.00 C ATOM 168 O ILE A 11 4.575 2.012 -6.980 1.00 0.00 O ATOM 169 CB ILE A 11 3.062 3.820 -5.087 1.00 0.00 C ATOM 170 CG1 ILE A 11 2.914 4.997 -4.118 1.00 0.00 C ATOM 171 CG2 ILE A 11 1.944 2.807 -4.831 1.00 0.00 C ATOM 172 CD1 ILE A 11 1.699 5.836 -4.517 1.00 0.00 C ATOM 0 H ILE A 11 5.469 4.469 -6.185 1.00 0.00 H new ATOM 0 HA ILE A 11 4.527 2.848 -3.831 1.00 0.00 H new ATOM 0 HB ILE A 11 2.996 4.183 -6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.797 4.630 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.815 5.611 -4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.977 3.286 -4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.047 1.969 -5.521 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.011 2.443 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.593 6.674 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.835 6.215 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 11 0.802 5.218 -4.478 1.00 0.00 H new ATOM 184 N GLU A 12 4.532 0.745 -5.172 1.00 0.00 N ATOM 185 CA GLU A 12 4.617 -0.530 -5.953 1.00 0.00 C ATOM 186 C GLU A 12 3.417 -1.413 -5.576 1.00 0.00 C ATOM 187 O GLU A 12 3.469 -2.127 -4.595 1.00 0.00 O ATOM 188 CB GLU A 12 5.906 -1.264 -5.576 1.00 0.00 C ATOM 189 CG GLU A 12 6.138 -2.419 -6.552 1.00 0.00 C ATOM 190 CD GLU A 12 7.351 -3.233 -6.097 1.00 0.00 C ATOM 191 OE1 GLU A 12 7.490 -3.432 -4.902 1.00 0.00 O ATOM 192 OE2 GLU A 12 8.118 -3.643 -6.951 1.00 0.00 O ATOM 0 H GLU A 12 4.487 0.620 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 12 4.612 -0.316 -7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.751 -0.576 -5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.836 -1.643 -4.557 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.254 -3.056 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.302 -2.032 -7.558 1.00 0.00 H new ATOM 199 N PRO A 13 2.331 -1.360 -6.319 1.00 0.00 N ATOM 200 CA PRO A 13 1.119 -2.165 -5.999 1.00 0.00 C ATOM 201 C PRO A 13 1.264 -3.637 -6.395 1.00 0.00 C ATOM 202 O PRO A 13 2.115 -4.005 -7.179 1.00 0.00 O ATOM 203 CB PRO A 13 0.009 -1.471 -6.794 1.00 0.00 C ATOM 204 CG PRO A 13 0.699 -0.895 -7.989 1.00 0.00 C ATOM 205 CD PRO A 13 2.131 -0.553 -7.543 1.00 0.00 C ATOM 0 HA PRO A 13 0.921 -2.200 -4.928 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.768 -2.177 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.474 -0.693 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.709 -1.609 -8.813 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.180 -0.005 -8.345 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.860 -0.809 -8.312 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.242 0.512 -7.340 1.00 0.00 H new ATOM 213 N GLY A 14 0.431 -4.477 -5.845 1.00 0.00 N ATOM 214 CA GLY A 14 0.498 -5.931 -6.164 1.00 0.00 C ATOM 215 C GLY A 14 -0.584 -6.662 -5.368 1.00 0.00 C ATOM 216 O GLY A 14 -1.049 -7.717 -5.752 1.00 0.00 O ATOM 0 H GLY A 14 -0.299 -4.216 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.352 -6.090 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.482 -6.327 -5.914 1.00 0.00 H new ATOM 220 N HIS A 15 -0.991 -6.098 -4.261 1.00 0.00 N ATOM 221 CA HIS A 15 -2.049 -6.731 -3.422 1.00 0.00 C ATOM 222 C HIS A 15 -1.466 -7.936 -2.677 1.00 0.00 C ATOM 223 O HIS A 15 -0.511 -8.549 -3.111 1.00 0.00 O ATOM 224 CB HIS A 15 -3.251 -7.159 -4.314 1.00 0.00 C ATOM 225 CG HIS A 15 -3.298 -8.663 -4.495 1.00 0.00 C ATOM 226 ND1 HIS A 15 -2.881 -9.288 -5.660 1.00 0.00 N ATOM 227 CD2 HIS A 15 -3.695 -9.674 -3.653 1.00 0.00 C ATOM 228 CE1 HIS A 15 -3.036 -10.614 -5.488 1.00 0.00 C ATOM 229 NE2 HIS A 15 -3.529 -10.903 -4.282 1.00 0.00 N ATOM 0 H HIS A 15 -0.630 -5.215 -3.899 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.409 -6.010 -2.688 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.182 -6.816 -3.862 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.173 -6.676 -5.288 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -2.522 -8.827 -6.496 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.078 -9.535 -2.653 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.791 -11.354 -6.235 1.00 0.00 H new ATOM 237 N GLN A 16 -2.058 -8.292 -1.575 1.00 0.00 N ATOM 238 CA GLN A 16 -1.571 -9.471 -0.818 1.00 0.00 C ATOM 239 C GLN A 16 -2.581 -9.795 0.281 1.00 0.00 C ATOM 240 O GLN A 16 -3.332 -8.940 0.718 1.00 0.00 O ATOM 241 CB GLN A 16 -0.201 -9.166 -0.204 1.00 0.00 C ATOM 242 CG GLN A 16 0.476 -10.473 0.229 1.00 0.00 C ATOM 243 CD GLN A 16 0.836 -11.301 -1.007 1.00 0.00 C ATOM 244 OE1 GLN A 16 1.596 -10.862 -1.847 1.00 0.00 O ATOM 245 NE2 GLN A 16 0.313 -12.488 -1.160 1.00 0.00 N ATOM 0 H GLN A 16 -2.861 -7.815 -1.165 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.467 -10.326 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.424 -8.644 -0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.316 -8.503 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.374 -10.255 0.807 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -0.190 -11.041 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.325 -12.859 -0.456 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.543 -13.044 -1.983 1.00 0.00 H new ATOM 254 N TYR A 17 -2.610 -11.022 0.733 1.00 0.00 N ATOM 255 CA TYR A 17 -3.570 -11.413 1.811 1.00 0.00 C ATOM 256 C TYR A 17 -2.802 -11.573 3.118 1.00 0.00 C ATOM 257 O TYR A 17 -1.723 -12.132 3.150 1.00 0.00 O ATOM 258 CB TYR A 17 -4.242 -12.737 1.443 1.00 0.00 C ATOM 259 CG TYR A 17 -3.209 -13.834 1.384 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.460 -14.031 0.216 1.00 0.00 C ATOM 261 CD2 TYR A 17 -3.002 -14.660 2.494 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.505 -15.052 0.161 1.00 0.00 C ATOM 263 CE2 TYR A 17 -2.045 -15.682 2.440 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.298 -15.878 1.273 1.00 0.00 C ATOM 265 OH TYR A 17 -0.357 -16.885 1.218 1.00 0.00 O ATOM 0 H TYR A 17 -2.007 -11.775 0.401 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.335 -10.645 1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.007 -12.984 2.179 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.744 -12.645 0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.620 -13.395 -0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -3.581 -14.510 3.394 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.927 -15.203 -0.739 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.884 -16.318 3.298 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.339 -17.363 2.073 1.00 0.00 H new ATOM 275 N ARG A 18 -3.341 -11.080 4.203 1.00 0.00 N ATOM 276 CA ARG A 18 -2.628 -11.199 5.512 1.00 0.00 C ATOM 277 C ARG A 18 -3.118 -12.441 6.255 1.00 0.00 C ATOM 278 O ARG A 18 -4.299 -12.717 6.317 1.00 0.00 O ATOM 279 CB ARG A 18 -2.899 -9.962 6.369 1.00 0.00 C ATOM 280 CG ARG A 18 -2.269 -8.732 5.714 1.00 0.00 C ATOM 281 CD ARG A 18 -2.509 -7.505 6.597 1.00 0.00 C ATOM 282 NE ARG A 18 -3.963 -7.180 6.619 1.00 0.00 N ATOM 283 CZ ARG A 18 -4.391 -6.151 7.300 1.00 0.00 C ATOM 284 NH1 ARG A 18 -3.543 -5.405 7.955 1.00 0.00 N ATOM 285 NH2 ARG A 18 -5.664 -5.865 7.323 1.00 0.00 N ATOM 0 H ARG A 18 -4.241 -10.601 4.240 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.558 -11.282 5.324 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.973 -9.815 6.483 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.489 -10.104 7.369 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.200 -8.889 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.700 -8.572 4.726 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.154 -7.698 7.609 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.942 -6.655 6.217 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.624 -7.761 6.103 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.547 -5.626 7.934 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.876 -4.601 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.326 -6.445 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.997 -5.061 7.855 1.00 0.00 H new ATOM 299 N ASP A 19 -2.214 -13.189 6.821 1.00 0.00 N ATOM 300 CA ASP A 19 -2.613 -14.413 7.566 1.00 0.00 C ATOM 301 C ASP A 19 -3.360 -14.016 8.840 1.00 0.00 C ATOM 302 O ASP A 19 -4.095 -14.800 9.408 1.00 0.00 O ATOM 303 CB ASP A 19 -1.360 -15.211 7.931 1.00 0.00 C ATOM 304 CG ASP A 19 -0.398 -14.317 8.714 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.809 -13.238 9.105 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.735 -14.726 8.907 1.00 0.00 O ATOM 0 H ASP A 19 -1.211 -13.004 6.799 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.266 -15.025 6.944 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.631 -16.082 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.876 -15.582 7.028 1.00 0.00 H new ATOM 311 N ASP A 20 -3.184 -12.807 9.296 1.00 0.00 N ATOM 312 CA ASP A 20 -3.893 -12.378 10.531 1.00 0.00 C ATOM 313 C ASP A 20 -5.401 -12.500 10.314 1.00 0.00 C ATOM 314 O ASP A 20 -6.109 -13.075 11.116 1.00 0.00 O ATOM 315 CB ASP A 20 -3.539 -10.924 10.845 1.00 0.00 C ATOM 316 CG ASP A 20 -4.305 -10.472 12.088 1.00 0.00 C ATOM 317 OD1 ASP A 20 -4.135 -11.095 13.123 1.00 0.00 O ATOM 318 OD2 ASP A 20 -5.052 -9.513 11.985 1.00 0.00 O ATOM 0 H ASP A 20 -2.583 -12.102 8.869 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.590 -13.011 11.365 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.466 -10.827 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.790 -10.286 9.998 1.00 0.00 H new ATOM 323 N ILE A 21 -5.895 -11.970 9.223 1.00 0.00 N ATOM 324 CA ILE A 21 -7.360 -12.051 8.925 1.00 0.00 C ATOM 325 C ILE A 21 -7.602 -13.080 7.816 1.00 0.00 C ATOM 326 O ILE A 21 -8.725 -13.362 7.456 1.00 0.00 O ATOM 327 CB ILE A 21 -7.851 -10.672 8.467 1.00 0.00 C ATOM 328 CG1 ILE A 21 -7.040 -10.208 7.252 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.677 -9.665 9.606 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.610 -8.891 6.728 1.00 0.00 C ATOM 0 H ILE A 21 -5.342 -11.480 8.520 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.903 -12.357 9.819 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.904 -10.739 8.193 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.994 -10.079 7.528 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -7.072 -10.966 6.470 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.026 -8.685 9.281 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.258 -9.989 10.470 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.624 -9.603 9.879 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.032 -8.563 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.650 -9.036 6.435 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.555 -8.134 7.510 1.00 0.00 H new ATOM 342 N ARG A 22 -6.554 -13.636 7.269 1.00 0.00 N ATOM 343 CA ARG A 22 -6.723 -14.637 6.178 1.00 0.00 C ATOM 344 C ARG A 22 -7.683 -14.088 5.118 1.00 0.00 C ATOM 345 O ARG A 22 -8.610 -14.751 4.701 1.00 0.00 O ATOM 346 CB ARG A 22 -7.282 -15.941 6.749 1.00 0.00 C ATOM 347 CG ARG A 22 -6.212 -16.623 7.604 1.00 0.00 C ATOM 348 CD ARG A 22 -6.770 -17.928 8.171 1.00 0.00 C ATOM 349 NE ARG A 22 -5.735 -18.585 9.020 1.00 0.00 N ATOM 350 CZ ARG A 22 -4.833 -19.361 8.479 1.00 0.00 C ATOM 351 NH1 ARG A 22 -4.823 -19.558 7.187 1.00 0.00 N ATOM 352 NH2 ARG A 22 -3.940 -19.943 9.232 1.00 0.00 N ATOM 0 H ARG A 22 -5.588 -13.440 7.531 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.753 -14.833 5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.168 -15.737 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.592 -16.602 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.325 -16.825 7.003 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.904 -15.963 8.415 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.665 -17.728 8.760 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.065 -18.593 7.359 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.731 -18.428 10.028 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.521 -19.105 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.117 -20.164 6.769 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.947 -19.792 10.241 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.235 -20.549 8.812 1.00 0.00 H new ATOM 366 N LYS A 23 -7.460 -12.875 4.675 1.00 0.00 N ATOM 367 CA LYS A 23 -8.347 -12.265 3.634 1.00 0.00 C ATOM 368 C LYS A 23 -7.517 -11.365 2.716 1.00 0.00 C ATOM 369 O LYS A 23 -6.383 -11.030 3.014 1.00 0.00 O ATOM 370 CB LYS A 23 -9.451 -11.442 4.309 1.00 0.00 C ATOM 371 CG LYS A 23 -10.515 -12.381 4.881 1.00 0.00 C ATOM 372 CD LYS A 23 -11.578 -11.563 5.616 1.00 0.00 C ATOM 373 CE LYS A 23 -12.656 -12.498 6.164 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.688 -11.699 6.886 1.00 0.00 N ATOM 0 H LYS A 23 -6.697 -12.277 4.992 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.805 -13.058 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.027 -10.829 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.903 -10.760 3.588 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.975 -12.957 4.079 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.055 -13.096 5.563 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.121 -11.002 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.024 -10.835 4.938 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.117 -13.056 5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.210 -13.229 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.421 -12.335 7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.242 -11.186 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.121 -11.018 6.230 1.00 0.00 H new ATOM 388 N TYR A 24 -8.073 -10.980 1.593 1.00 0.00 N ATOM 389 CA TYR A 24 -7.320 -10.109 0.645 1.00 0.00 C ATOM 390 C TYR A 24 -7.556 -8.645 1.003 1.00 0.00 C ATOM 391 O TYR A 24 -8.681 -8.190 1.115 1.00 0.00 O ATOM 392 CB TYR A 24 -7.816 -10.359 -0.781 1.00 0.00 C ATOM 393 CG TYR A 24 -7.489 -11.774 -1.196 1.00 0.00 C ATOM 394 CD1 TYR A 24 -8.377 -12.813 -0.895 1.00 0.00 C ATOM 395 CD2 TYR A 24 -6.302 -12.044 -1.887 1.00 0.00 C ATOM 396 CE1 TYR A 24 -8.079 -14.124 -1.283 1.00 0.00 C ATOM 397 CE2 TYR A 24 -6.004 -13.356 -2.277 1.00 0.00 C ATOM 398 CZ TYR A 24 -6.893 -14.395 -1.975 1.00 0.00 C ATOM 399 OH TYR A 24 -6.599 -15.688 -2.360 1.00 0.00 O ATOM 0 H TYR A 24 -9.015 -11.232 1.294 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.257 -10.339 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.892 -10.194 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.350 -9.652 -1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -9.293 -12.603 -0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.617 -11.242 -2.119 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.763 -14.926 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -5.089 -13.566 -2.810 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.740 -15.702 -2.831 1.00 0.00 H new ATOM 409 N VAL A 25 -6.499 -7.898 1.175 1.00 0.00 N ATOM 410 CA VAL A 25 -6.642 -6.454 1.523 1.00 0.00 C ATOM 411 C VAL A 25 -5.495 -5.680 0.863 1.00 0.00 C ATOM 412 O VAL A 25 -4.440 -6.234 0.624 1.00 0.00 O ATOM 413 CB VAL A 25 -6.564 -6.297 3.045 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.813 -6.905 3.688 1.00 0.00 C ATOM 415 CG2 VAL A 25 -5.325 -7.023 3.570 1.00 0.00 C ATOM 0 H VAL A 25 -5.537 -8.227 1.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.599 -6.069 1.170 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.503 -5.238 3.295 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.756 -6.793 4.771 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.700 -6.392 3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.873 -7.964 3.436 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.269 -6.911 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.389 -8.081 3.317 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.432 -6.595 3.115 1.00 0.00 H new ATOM 425 N PRO A 26 -5.675 -4.413 0.571 1.00 0.00 N ATOM 426 CA PRO A 26 -4.604 -3.602 -0.067 1.00 0.00 C ATOM 427 C PRO A 26 -3.233 -3.859 0.565 1.00 0.00 C ATOM 428 O PRO A 26 -3.074 -3.839 1.770 1.00 0.00 O ATOM 429 CB PRO A 26 -5.057 -2.159 0.185 1.00 0.00 C ATOM 430 CG PRO A 26 -6.551 -2.229 0.242 1.00 0.00 C ATOM 431 CD PRO A 26 -6.902 -3.621 0.791 1.00 0.00 C ATOM 0 HA PRO A 26 -4.478 -3.841 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.644 -1.772 1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -4.723 -1.495 -0.612 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -6.952 -1.446 0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -6.984 -2.082 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.165 -3.578 1.848 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.755 -4.053 0.267 1.00 0.00 H new ATOM 439 N TYR A 27 -2.244 -4.103 -0.251 1.00 0.00 N ATOM 440 CA TYR A 27 -0.874 -4.368 0.269 1.00 0.00 C ATOM 441 C TYR A 27 0.139 -3.910 -0.775 1.00 0.00 C ATOM 442 O TYR A 27 0.215 -4.459 -1.855 1.00 0.00 O ATOM 443 CB TYR A 27 -0.707 -5.870 0.513 1.00 0.00 C ATOM 444 CG TYR A 27 0.677 -6.146 1.049 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.911 -6.124 2.429 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.728 -6.425 0.166 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.194 -6.377 2.927 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.011 -6.679 0.663 1.00 0.00 C ATOM 449 CZ TYR A 27 3.244 -6.656 2.044 1.00 0.00 C ATOM 450 OH TYR A 27 4.509 -6.906 2.535 1.00 0.00 O ATOM 0 H TYR A 27 -2.329 -4.130 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.717 -3.830 1.204 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.458 -6.219 1.221 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.864 -6.419 -0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.100 -5.911 3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.548 -6.444 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.374 -6.357 3.992 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.822 -6.893 -0.018 1.00 0.00 H new ATOM 0 HH TYR A 27 5.120 -7.082 1.790 1.00 0.00 H new ATOM 460 N ALA A 28 0.912 -2.901 -0.469 1.00 0.00 N ATOM 461 CA ALA A 28 1.918 -2.398 -1.457 1.00 0.00 C ATOM 462 C ALA A 28 3.206 -2.019 -0.731 1.00 0.00 C ATOM 463 O ALA A 28 3.228 -1.855 0.472 1.00 0.00 O ATOM 464 CB ALA A 28 1.354 -1.166 -2.168 1.00 0.00 C ATOM 0 H ALA A 28 0.892 -2.403 0.421 1.00 0.00 H new ATOM 0 HA ALA A 28 2.132 -3.179 -2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.083 -0.796 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.435 -1.435 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.142 -0.388 -1.435 1.00 0.00 H new ATOM 470 N LEU A 29 4.283 -1.878 -1.461 1.00 0.00 N ATOM 471 CA LEU A 29 5.589 -1.507 -0.837 1.00 0.00 C ATOM 472 C LEU A 29 5.894 -0.049 -1.177 1.00 0.00 C ATOM 473 O LEU A 29 5.792 0.364 -2.314 1.00 0.00 O ATOM 474 CB LEU A 29 6.693 -2.403 -1.406 1.00 0.00 C ATOM 475 CG LEU A 29 6.345 -3.877 -1.166 1.00 0.00 C ATOM 476 CD1 LEU A 29 7.441 -4.760 -1.771 1.00 0.00 C ATOM 477 CD2 LEU A 29 6.229 -4.155 0.342 1.00 0.00 C ATOM 0 H LEU A 29 4.313 -2.005 -2.473 1.00 0.00 H new ATOM 0 HA LEU A 29 5.539 -1.636 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.810 -2.217 -2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.646 -2.164 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 29 5.389 -4.102 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.197 -5.809 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.510 -4.571 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.396 -4.529 -1.299 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.982 -5.205 0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.178 -3.929 0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 29 5.445 -3.529 0.768 1.00 0.00 H new ATOM 489 N ILE A 30 6.255 0.736 -0.190 1.00 0.00 N ATOM 490 CA ILE A 30 6.559 2.184 -0.429 1.00 0.00 C ATOM 491 C ILE A 30 8.029 2.465 -0.118 1.00 0.00 C ATOM 492 O ILE A 30 8.541 2.073 0.911 1.00 0.00 O ATOM 493 CB ILE A 30 5.677 3.033 0.485 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.211 2.839 0.091 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.056 4.507 0.335 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.309 3.459 1.156 1.00 0.00 C ATOM 0 H ILE A 30 6.353 0.433 0.779 1.00 0.00 H new ATOM 0 HA ILE A 30 6.362 2.430 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 30 5.821 2.727 1.521 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.020 3.302 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.990 1.777 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.427 5.113 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.102 4.644 0.611 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.910 4.817 -0.700 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.265 3.320 0.874 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.493 2.976 2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.524 4.524 1.239 1.00 0.00 H new ATOM 508 N ARG A 31 8.707 3.150 -1.006 1.00 0.00 N ATOM 509 CA ARG A 31 10.152 3.481 -0.788 1.00 0.00 C ATOM 510 C ARG A 31 10.340 4.990 -0.931 1.00 0.00 C ATOM 511 O ARG A 31 9.792 5.610 -1.820 1.00 0.00 O ATOM 512 CB ARG A 31 11.000 2.758 -1.836 1.00 0.00 C ATOM 513 CG ARG A 31 12.475 2.822 -1.437 1.00 0.00 C ATOM 514 CD ARG A 31 13.304 2.001 -2.429 1.00 0.00 C ATOM 515 NE ARG A 31 13.222 2.618 -3.783 1.00 0.00 N ATOM 516 CZ ARG A 31 13.724 1.992 -4.811 1.00 0.00 C ATOM 517 NH1 ARG A 31 14.290 0.826 -4.650 1.00 0.00 N ATOM 518 NH2 ARG A 31 13.658 2.527 -6.000 1.00 0.00 N ATOM 0 H ARG A 31 8.318 3.498 -1.882 1.00 0.00 H new ATOM 0 HA ARG A 31 10.461 3.164 0.208 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.681 1.719 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.857 3.218 -2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 31 12.817 3.857 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 31 12.607 2.435 -0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 31 14.343 1.957 -2.101 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.937 0.975 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 31 12.775 3.527 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 31 14.339 0.407 -3.721 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.683 0.335 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.213 3.436 -6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.051 2.036 -6.803 1.00 0.00 H new ATOM 532 N LYS A 32 11.105 5.590 -0.056 1.00 0.00 N ATOM 533 CA LYS A 32 11.323 7.067 -0.131 1.00 0.00 C ATOM 534 C LYS A 32 12.631 7.364 -0.865 1.00 0.00 C ATOM 535 O LYS A 32 13.688 6.892 -0.498 1.00 0.00 O ATOM 536 CB LYS A 32 11.381 7.638 1.287 1.00 0.00 C ATOM 537 CG LYS A 32 11.550 9.159 1.225 1.00 0.00 C ATOM 538 CD LYS A 32 11.536 9.732 2.644 1.00 0.00 C ATOM 539 CE LYS A 32 11.698 11.252 2.583 1.00 0.00 C ATOM 540 NZ LYS A 32 10.522 11.852 1.892 1.00 0.00 N ATOM 0 H LYS A 32 11.589 5.120 0.709 1.00 0.00 H new ATOM 0 HA LYS A 32 10.501 7.529 -0.678 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.469 7.386 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.211 7.192 1.835 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.487 9.412 0.729 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.747 9.601 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.601 9.475 3.142 1.00 0.00 H new ATOM 0 HD3 LYS A 32 12.342 9.293 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.788 11.659 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 32 12.615 11.509 2.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.565 12.888 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.533 11.579 0.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.646 11.508 2.335 1.00 0.00 H new ATOM 554 N VAL A 33 12.560 8.150 -1.903 1.00 0.00 N ATOM 555 CA VAL A 33 13.783 8.499 -2.679 1.00 0.00 C ATOM 556 C VAL A 33 14.730 9.334 -1.808 1.00 0.00 C ATOM 557 O VAL A 33 15.931 9.153 -1.829 1.00 0.00 O ATOM 558 CB VAL A 33 13.379 9.305 -3.917 1.00 0.00 C ATOM 559 CG1 VAL A 33 14.633 9.797 -4.641 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.560 8.423 -4.864 1.00 0.00 C ATOM 0 H VAL A 33 11.698 8.570 -2.250 1.00 0.00 H new ATOM 0 HA VAL A 33 14.293 7.586 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 33 12.778 10.160 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.343 10.370 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.215 10.430 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.236 8.942 -4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.275 9.000 -5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 33 13.159 7.566 -5.171 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.663 8.074 -4.352 1.00 0.00 H new ATOM 643 N THR A 39 14.970 -0.848 3.948 1.00 0.00 N ATOM 644 CA THR A 39 13.958 -1.943 3.902 1.00 0.00 C ATOM 645 C THR A 39 12.583 -1.353 3.555 1.00 0.00 C ATOM 646 O THR A 39 12.187 -0.356 4.124 1.00 0.00 O ATOM 647 CB THR A 39 13.876 -2.601 5.281 1.00 0.00 C ATOM 648 OG1 THR A 39 15.179 -2.981 5.701 1.00 0.00 O ATOM 649 CG2 THR A 39 12.979 -3.837 5.214 1.00 0.00 C ATOM 0 HA THR A 39 14.246 -2.677 3.149 1.00 0.00 H new ATOM 0 HB THR A 39 13.455 -1.892 5.994 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.843 -2.406 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.925 -4.301 6.199 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.979 -3.544 4.895 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.393 -4.549 4.500 1.00 0.00 H new ATOM 657 N PRO A 40 11.845 -1.944 2.642 1.00 0.00 N ATOM 658 CA PRO A 40 10.504 -1.419 2.271 1.00 0.00 C ATOM 659 C PRO A 40 9.475 -1.691 3.374 1.00 0.00 C ATOM 660 O PRO A 40 9.557 -2.677 4.079 1.00 0.00 O ATOM 661 CB PRO A 40 10.165 -2.175 0.980 1.00 0.00 C ATOM 662 CG PRO A 40 10.887 -3.476 1.109 1.00 0.00 C ATOM 663 CD PRO A 40 12.180 -3.161 1.871 1.00 0.00 C ATOM 0 HA PRO A 40 10.494 -0.337 2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.090 -2.326 0.879 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.494 -1.624 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.284 -4.207 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.104 -3.902 0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.469 -3.983 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.014 -2.987 1.191 1.00 0.00 H new ATOM 671 N ILE A 41 8.510 -0.819 3.525 1.00 0.00 N ATOM 672 CA ILE A 41 7.462 -1.003 4.579 1.00 0.00 C ATOM 673 C ILE A 41 6.112 -1.238 3.882 1.00 0.00 C ATOM 674 O ILE A 41 5.767 -0.519 2.966 1.00 0.00 O ATOM 675 CB ILE A 41 7.378 0.275 5.420 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.773 0.645 5.951 1.00 0.00 C ATOM 677 CG2 ILE A 41 6.422 0.058 6.594 1.00 0.00 C ATOM 678 CD1 ILE A 41 9.409 -0.553 6.669 1.00 0.00 C ATOM 0 H ILE A 41 8.401 0.022 2.958 1.00 0.00 H new ATOM 0 HA ILE A 41 7.708 -1.850 5.220 1.00 0.00 H new ATOM 0 HB ILE A 41 7.006 1.088 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.410 0.962 5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.696 1.489 6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.365 0.969 7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.431 -0.190 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.788 -0.759 7.215 1.00 0.00 H new ATOM 0 HD11 ILE A 41 10.396 -0.274 7.038 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.779 -0.851 7.507 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.505 -1.386 5.972 1.00 0.00 H new ATOM 690 N PRO A 42 5.347 -2.230 4.290 1.00 0.00 N ATOM 691 CA PRO A 42 4.031 -2.522 3.649 1.00 0.00 C ATOM 692 C PRO A 42 2.953 -1.510 4.039 1.00 0.00 C ATOM 693 O PRO A 42 2.969 -0.956 5.121 1.00 0.00 O ATOM 694 CB PRO A 42 3.689 -3.923 4.167 1.00 0.00 C ATOM 695 CG PRO A 42 4.325 -3.981 5.515 1.00 0.00 C ATOM 696 CD PRO A 42 5.625 -3.175 5.393 1.00 0.00 C ATOM 0 HA PRO A 42 4.080 -2.462 2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.611 -4.072 4.229 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.081 -4.698 3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.670 -3.556 6.276 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.528 -5.011 5.808 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.860 -2.651 6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.475 -3.818 5.165 1.00 0.00 H new ATOM 704 N THR A 43 2.010 -1.277 3.161 1.00 0.00 N ATOM 705 CA THR A 43 0.904 -0.313 3.452 1.00 0.00 C ATOM 706 C THR A 43 -0.438 -0.996 3.189 1.00 0.00 C ATOM 707 O THR A 43 -0.639 -1.616 2.160 1.00 0.00 O ATOM 708 CB THR A 43 1.043 0.915 2.548 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.196 1.608 2.505 1.00 0.00 O ATOM 710 CG2 THR A 43 1.441 0.484 1.134 1.00 0.00 C ATOM 0 H THR A 43 1.959 -1.719 2.243 1.00 0.00 H new ATOM 0 HA THR A 43 0.956 0.002 4.494 1.00 0.00 H new ATOM 0 HB THR A 43 1.817 1.570 2.948 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.071 2.474 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.537 1.365 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.394 -0.044 1.169 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.676 -0.176 0.726 1.00 0.00 H new ATOM 718 N THR A 44 -1.357 -0.890 4.119 1.00 0.00 N ATOM 719 CA THR A 44 -2.701 -1.529 3.950 1.00 0.00 C ATOM 720 C THR A 44 -3.790 -0.551 4.400 1.00 0.00 C ATOM 721 O THR A 44 -3.519 0.430 5.066 1.00 0.00 O ATOM 722 CB THR A 44 -2.772 -2.797 4.806 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.756 -2.442 6.182 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.573 -3.697 4.497 1.00 0.00 C ATOM 0 H THR A 44 -1.232 -0.384 4.996 1.00 0.00 H new ATOM 0 HA THR A 44 -2.853 -1.787 2.902 1.00 0.00 H new ATOM 0 HB THR A 44 -3.693 -3.334 4.579 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.803 -3.253 6.730 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.627 -4.598 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.587 -3.972 3.442 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.650 -3.162 4.720 1.00 0.00 H new ATOM 732 N TYR A 45 -5.024 -0.816 4.044 1.00 0.00 N ATOM 733 CA TYR A 45 -6.150 0.087 4.450 1.00 0.00 C ATOM 734 C TYR A 45 -7.354 -0.781 4.882 1.00 0.00 C ATOM 735 O TYR A 45 -7.840 -1.580 4.105 1.00 0.00 O ATOM 736 CB TYR A 45 -6.556 0.951 3.251 1.00 0.00 C ATOM 737 CG TYR A 45 -7.802 1.738 3.590 1.00 0.00 C ATOM 738 CD1 TYR A 45 -7.721 2.837 4.453 1.00 0.00 C ATOM 739 CD2 TYR A 45 -9.038 1.369 3.043 1.00 0.00 C ATOM 740 CE1 TYR A 45 -8.873 3.568 4.767 1.00 0.00 C ATOM 741 CE2 TYR A 45 -10.189 2.099 3.358 1.00 0.00 C ATOM 742 CZ TYR A 45 -10.107 3.198 4.220 1.00 0.00 C ATOM 743 OH TYR A 45 -11.243 3.918 4.529 1.00 0.00 O ATOM 0 H TYR A 45 -5.302 -1.623 3.486 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.838 0.727 5.275 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.745 1.630 2.989 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.738 0.320 2.381 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.769 3.121 4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.102 0.521 2.378 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.809 4.417 5.431 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -11.141 1.814 2.936 1.00 0.00 H new ATOM 0 HH TYR A 45 -12.013 3.529 4.065 1.00 0.00 H new ATOM 753 N PRO A 46 -7.842 -0.642 6.103 1.00 0.00 N ATOM 754 CA PRO A 46 -9.002 -1.448 6.594 1.00 0.00 C ATOM 755 C PRO A 46 -10.135 -1.574 5.562 1.00 0.00 C ATOM 756 O PRO A 46 -11.114 -0.856 5.605 1.00 0.00 O ATOM 757 CB PRO A 46 -9.477 -0.675 7.831 1.00 0.00 C ATOM 758 CG PRO A 46 -8.248 -0.013 8.365 1.00 0.00 C ATOM 759 CD PRO A 46 -7.351 0.279 7.153 1.00 0.00 C ATOM 0 HA PRO A 46 -8.712 -2.478 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.239 0.059 7.570 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.918 -1.344 8.570 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.500 0.907 8.892 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.738 -0.660 9.079 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.433 1.320 6.839 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.301 0.097 7.382 1.00 0.00 H new ATOM 767 N GLU A 47 -10.015 -2.500 4.650 1.00 0.00 N ATOM 768 CA GLU A 47 -11.089 -2.699 3.633 1.00 0.00 C ATOM 769 C GLU A 47 -10.813 -4.015 2.893 1.00 0.00 C ATOM 770 O GLU A 47 -9.683 -4.448 2.805 1.00 0.00 O ATOM 771 CB GLU A 47 -11.109 -1.521 2.652 1.00 0.00 C ATOM 772 CG GLU A 47 -12.356 -1.613 1.769 1.00 0.00 C ATOM 773 CD GLU A 47 -13.611 -1.369 2.611 1.00 0.00 C ATOM 774 OE1 GLU A 47 -13.467 -0.977 3.757 1.00 0.00 O ATOM 775 OE2 GLU A 47 -14.696 -1.569 2.091 1.00 0.00 O ATOM 0 H GLU A 47 -9.217 -3.130 4.564 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.064 -2.748 4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.107 -0.578 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.211 -1.533 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.298 -0.879 0.966 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.408 -2.595 1.300 1.00 0.00 H new ATOM 782 N PHE A 48 -11.836 -4.678 2.395 1.00 0.00 N ATOM 783 CA PHE A 48 -11.622 -5.997 1.703 1.00 0.00 C ATOM 784 C PHE A 48 -11.843 -5.882 0.187 1.00 0.00 C ATOM 785 O PHE A 48 -12.665 -5.120 -0.281 1.00 0.00 O ATOM 786 CB PHE A 48 -12.632 -7.008 2.248 1.00 0.00 C ATOM 787 CG PHE A 48 -12.554 -7.075 3.755 1.00 0.00 C ATOM 788 CD1 PHE A 48 -11.664 -7.956 4.379 1.00 0.00 C ATOM 789 CD2 PHE A 48 -13.397 -6.268 4.528 1.00 0.00 C ATOM 790 CE1 PHE A 48 -11.619 -8.027 5.776 1.00 0.00 C ATOM 791 CE2 PHE A 48 -13.349 -6.337 5.924 1.00 0.00 C ATOM 792 CZ PHE A 48 -12.460 -7.219 6.549 1.00 0.00 C ATOM 0 H PHE A 48 -12.806 -4.365 2.437 1.00 0.00 H new ATOM 0 HA PHE A 48 -10.595 -6.312 1.888 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.639 -6.725 1.942 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.435 -7.993 1.824 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.013 -8.580 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -14.086 -5.591 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.933 -8.707 6.259 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.997 -5.711 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.423 -7.276 7.627 1.00 0.00 H new ATOM 802 N TYR A 49 -11.126 -6.675 -0.575 1.00 0.00 N ATOM 803 CA TYR A 49 -11.294 -6.676 -2.065 1.00 0.00 C ATOM 804 C TYR A 49 -10.802 -8.021 -2.610 1.00 0.00 C ATOM 805 O TYR A 49 -9.620 -8.280 -2.679 1.00 0.00 O ATOM 806 CB TYR A 49 -10.493 -5.539 -2.708 1.00 0.00 C ATOM 807 CG TYR A 49 -11.142 -4.210 -2.388 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.343 -3.845 -3.011 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.539 -3.343 -1.473 1.00 0.00 C ATOM 810 CE1 TYR A 49 -12.937 -2.612 -2.715 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.129 -2.113 -1.180 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.329 -1.746 -1.799 1.00 0.00 C ATOM 813 OH TYR A 49 -12.912 -0.529 -1.508 1.00 0.00 O ATOM 0 H TYR A 49 -10.425 -7.328 -0.225 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.347 -6.527 -2.306 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.467 -5.551 -2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -10.446 -5.680 -3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -12.810 -4.514 -3.719 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.614 -3.626 -0.992 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -13.863 -2.330 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.659 -1.444 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 49 -13.885 -0.601 -1.604 1.00 0.00 H new ATOM 823 N ASP A 50 -11.705 -8.885 -2.981 1.00 0.00 N ATOM 824 CA ASP A 50 -11.297 -10.222 -3.502 1.00 0.00 C ATOM 825 C ASP A 50 -10.748 -10.101 -4.928 1.00 0.00 C ATOM 826 O ASP A 50 -10.266 -11.062 -5.493 1.00 0.00 O ATOM 827 CB ASP A 50 -12.508 -11.155 -3.502 1.00 0.00 C ATOM 828 CG ASP A 50 -13.653 -10.499 -4.274 1.00 0.00 C ATOM 829 OD1 ASP A 50 -13.594 -9.297 -4.471 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.566 -11.210 -4.660 1.00 0.00 O ATOM 0 H ASP A 50 -12.712 -8.723 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.515 -10.626 -2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.246 -12.109 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.818 -11.366 -2.479 1.00 0.00 H new ATOM 835 N LEU A 51 -10.826 -8.936 -5.523 1.00 0.00 N ATOM 836 CA LEU A 51 -10.318 -8.761 -6.923 1.00 0.00 C ATOM 837 C LEU A 51 -8.963 -8.055 -6.909 1.00 0.00 C ATOM 838 O LEU A 51 -8.792 -7.024 -6.285 1.00 0.00 O ATOM 839 CB LEU A 51 -11.313 -7.914 -7.716 1.00 0.00 C ATOM 840 CG LEU A 51 -12.689 -8.591 -7.710 1.00 0.00 C ATOM 841 CD1 LEU A 51 -13.697 -7.691 -8.430 1.00 0.00 C ATOM 842 CD2 LEU A 51 -12.608 -9.956 -8.419 1.00 0.00 C ATOM 0 H LEU A 51 -11.220 -8.096 -5.100 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.206 -9.742 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.385 -6.918 -7.280 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.963 -7.789 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.010 -8.749 -6.680 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -14.677 -8.168 -8.428 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.760 -6.732 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.373 -7.532 -9.458 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.590 -10.430 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.284 -9.812 -9.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.893 -10.594 -7.900 1.00 0.00 H new ATOM 854 N GLU A 52 -8.002 -8.598 -7.603 1.00 0.00 N ATOM 855 CA GLU A 52 -6.656 -7.964 -7.645 1.00 0.00 C ATOM 856 C GLU A 52 -6.753 -6.621 -8.369 1.00 0.00 C ATOM 857 O GLU A 52 -6.141 -5.648 -7.975 1.00 0.00 O ATOM 858 CB GLU A 52 -5.690 -8.887 -8.396 1.00 0.00 C ATOM 859 CG GLU A 52 -4.294 -8.263 -8.428 1.00 0.00 C ATOM 860 CD GLU A 52 -3.324 -9.226 -9.114 1.00 0.00 C ATOM 861 OE1 GLU A 52 -3.793 -10.174 -9.722 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.129 -9.001 -9.019 1.00 0.00 O ATOM 0 H GLU A 52 -8.092 -9.457 -8.145 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.290 -7.802 -6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.651 -9.861 -7.909 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.047 -9.053 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.320 -7.313 -8.962 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -3.956 -8.049 -7.414 1.00 0.00 H new ATOM 869 N ALA A 53 -7.515 -6.554 -9.425 1.00 0.00 N ATOM 870 CA ALA A 53 -7.640 -5.268 -10.166 1.00 0.00 C ATOM 871 C ALA A 53 -8.125 -4.176 -9.213 1.00 0.00 C ATOM 872 O ALA A 53 -7.541 -3.114 -9.120 1.00 0.00 O ATOM 873 CB ALA A 53 -8.647 -5.433 -11.306 1.00 0.00 C ATOM 0 H ALA A 53 -8.055 -7.331 -9.806 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.669 -4.988 -10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.739 -4.492 -11.849 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.302 -6.212 -11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.618 -5.712 -10.896 1.00 0.00 H new ATOM 879 N ASP A 54 -9.183 -4.428 -8.495 1.00 0.00 N ATOM 880 CA ASP A 54 -9.693 -3.405 -7.543 1.00 0.00 C ATOM 881 C ASP A 54 -8.661 -3.189 -6.435 1.00 0.00 C ATOM 882 O ASP A 54 -8.432 -2.082 -5.991 1.00 0.00 O ATOM 883 CB ASP A 54 -11.013 -3.887 -6.930 1.00 0.00 C ATOM 884 CG ASP A 54 -11.564 -2.812 -5.992 1.00 0.00 C ATOM 885 OD1 ASP A 54 -10.863 -1.842 -5.763 1.00 0.00 O ATOM 886 OD2 ASP A 54 -12.676 -2.977 -5.521 1.00 0.00 O ATOM 0 H ASP A 54 -9.716 -5.297 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.864 -2.467 -8.071 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.735 -4.102 -7.718 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.854 -4.816 -6.382 1.00 0.00 H new ATOM 891 N ALA A 55 -8.035 -4.244 -5.985 1.00 0.00 N ATOM 892 CA ALA A 55 -7.020 -4.103 -4.903 1.00 0.00 C ATOM 893 C ALA A 55 -5.854 -3.239 -5.394 1.00 0.00 C ATOM 894 O ALA A 55 -5.343 -2.408 -4.672 1.00 0.00 O ATOM 895 CB ALA A 55 -6.501 -5.489 -4.504 1.00 0.00 C ATOM 0 H ALA A 55 -8.183 -5.196 -6.320 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.480 -3.625 -4.038 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.759 -5.386 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.330 -6.099 -4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -6.044 -5.969 -5.369 1.00 0.00 H new ATOM 901 N GLU A 56 -5.432 -3.420 -6.617 1.00 0.00 N ATOM 902 CA GLU A 56 -4.307 -2.594 -7.138 1.00 0.00 C ATOM 903 C GLU A 56 -4.754 -1.136 -7.237 1.00 0.00 C ATOM 904 O GLU A 56 -4.038 -0.229 -6.861 1.00 0.00 O ATOM 905 CB GLU A 56 -3.893 -3.096 -8.526 1.00 0.00 C ATOM 906 CG GLU A 56 -3.219 -4.464 -8.401 1.00 0.00 C ATOM 907 CD GLU A 56 -2.940 -5.028 -9.797 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.280 -4.364 -10.761 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.392 -6.115 -9.876 1.00 0.00 O ATOM 0 H GLU A 56 -5.816 -4.100 -7.273 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.457 -2.673 -6.460 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.768 -3.169 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.211 -2.385 -8.992 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.288 -4.372 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.860 -5.147 -7.843 1.00 0.00 H new ATOM 916 N ARG A 57 -5.937 -0.903 -7.735 1.00 0.00 N ATOM 917 CA ARG A 57 -6.431 0.496 -7.852 1.00 0.00 C ATOM 918 C ARG A 57 -6.538 1.110 -6.455 1.00 0.00 C ATOM 919 O ARG A 57 -6.104 2.219 -6.212 1.00 0.00 O ATOM 920 CB ARG A 57 -7.818 0.485 -8.505 1.00 0.00 C ATOM 921 CG ARG A 57 -8.230 1.918 -8.901 1.00 0.00 C ATOM 922 CD ARG A 57 -7.724 2.235 -10.312 1.00 0.00 C ATOM 923 NE ARG A 57 -8.370 1.312 -11.286 1.00 0.00 N ATOM 924 CZ ARG A 57 -9.568 1.566 -11.736 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.203 2.637 -11.342 1.00 0.00 N ATOM 926 NH2 ARG A 57 -10.132 0.748 -12.583 1.00 0.00 N ATOM 0 H ARG A 57 -6.582 -1.621 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.741 1.082 -8.459 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.808 -0.155 -9.387 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.550 0.066 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -9.315 2.017 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.820 2.634 -8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.951 3.270 -10.568 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -6.640 2.127 -10.355 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.874 0.479 -11.602 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -9.762 3.277 -10.681 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.140 2.834 -11.695 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.636 -0.088 -12.892 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.069 0.945 -12.936 1.00 0.00 H new ATOM 940 N VAL A 58 -7.115 0.387 -5.537 1.00 0.00 N ATOM 941 CA VAL A 58 -7.262 0.903 -4.148 1.00 0.00 C ATOM 942 C VAL A 58 -5.885 1.036 -3.497 1.00 0.00 C ATOM 943 O VAL A 58 -5.603 2.000 -2.819 1.00 0.00 O ATOM 944 CB VAL A 58 -8.125 -0.064 -3.335 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.144 0.369 -1.867 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.552 -0.054 -3.885 1.00 0.00 C ATOM 0 H VAL A 58 -7.494 -0.547 -5.691 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.740 1.882 -4.175 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.709 -1.069 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.760 -0.322 -1.292 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.128 0.364 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.558 1.374 -1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.169 -0.742 -3.308 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.964 0.953 -3.810 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.542 -0.365 -4.930 1.00 0.00 H new ATOM 956 N SER A 59 -5.029 0.070 -3.684 1.00 0.00 N ATOM 957 CA SER A 59 -3.682 0.146 -3.056 1.00 0.00 C ATOM 958 C SER A 59 -2.989 1.440 -3.479 1.00 0.00 C ATOM 959 O SER A 59 -2.359 2.104 -2.678 1.00 0.00 O ATOM 960 CB SER A 59 -2.843 -1.050 -3.504 1.00 0.00 C ATOM 961 OG SER A 59 -2.729 -1.040 -4.921 1.00 0.00 O ATOM 0 H SER A 59 -5.204 -0.765 -4.242 1.00 0.00 H new ATOM 0 HA SER A 59 -3.789 0.131 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.854 -1.006 -3.048 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.306 -1.979 -3.172 1.00 0.00 H new ATOM 0 HG SER A 59 -3.452 -0.500 -5.304 1.00 0.00 H new ATOM 967 N ILE A 60 -3.101 1.812 -4.721 1.00 0.00 N ATOM 968 CA ILE A 60 -2.448 3.069 -5.173 1.00 0.00 C ATOM 969 C ILE A 60 -3.082 4.259 -4.442 1.00 0.00 C ATOM 970 O ILE A 60 -2.397 5.143 -3.964 1.00 0.00 O ATOM 971 CB ILE A 60 -2.649 3.230 -6.683 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.867 2.138 -7.421 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.141 4.604 -7.126 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.296 2.107 -8.889 1.00 0.00 C ATOM 0 H ILE A 60 -3.614 1.303 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.382 3.030 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.710 3.143 -6.917 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.797 2.330 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.049 1.169 -6.957 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.285 4.716 -8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.695 5.383 -6.602 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.080 4.693 -6.891 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.740 1.330 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.363 1.895 -8.952 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.091 3.074 -9.349 1.00 0.00 H new ATOM 986 N ALA A 61 -4.384 4.285 -4.347 1.00 0.00 N ATOM 987 CA ALA A 61 -5.055 5.414 -3.643 1.00 0.00 C ATOM 988 C ALA A 61 -4.732 5.351 -2.149 1.00 0.00 C ATOM 989 O ALA A 61 -4.473 6.355 -1.515 1.00 0.00 O ATOM 990 CB ALA A 61 -6.568 5.307 -3.843 1.00 0.00 C ATOM 0 H ALA A 61 -5.010 3.575 -4.726 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.698 6.360 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.062 6.132 -3.329 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.798 5.353 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.923 4.361 -3.435 1.00 0.00 H new ATOM 996 N CYS A 62 -4.746 4.176 -1.582 1.00 0.00 N ATOM 997 CA CYS A 62 -4.442 4.041 -0.131 1.00 0.00 C ATOM 998 C CYS A 62 -2.976 4.389 0.125 1.00 0.00 C ATOM 999 O CYS A 62 -2.643 5.022 1.104 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.704 2.601 0.316 1.00 0.00 C ATOM 1001 SG CYS A 62 -6.478 2.253 0.222 1.00 0.00 S ATOM 0 H CYS A 62 -4.956 3.302 -2.063 1.00 0.00 H new ATOM 0 HA CYS A 62 -5.080 4.722 0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.152 1.906 -0.317 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.347 2.455 1.336 1.00 0.00 H new ATOM 0 HG CYS A 62 -7.076 2.762 1.258 1.00 0.00 H new ATOM 1007 N ALA A 63 -2.096 3.977 -0.745 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.655 4.283 -0.535 1.00 0.00 C ATOM 1009 C ALA A 63 -0.471 5.795 -0.415 1.00 0.00 C ATOM 1010 O ALA A 63 0.232 6.277 0.448 1.00 0.00 O ATOM 1011 CB ALA A 63 0.156 3.760 -1.722 1.00 0.00 C ATOM 0 H ALA A 63 -2.312 3.444 -1.588 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.308 3.801 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.212 3.984 -1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.023 2.682 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.188 4.241 -2.638 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.098 6.550 -1.274 1.00 0.00 N ATOM 1018 CA LYS A 64 -0.956 8.030 -1.207 1.00 0.00 C ATOM 1019 C LYS A 64 -1.538 8.547 0.115 1.00 0.00 C ATOM 1020 O LYS A 64 -0.972 9.410 0.757 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.706 8.664 -2.380 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.018 8.274 -3.690 1.00 0.00 C ATOM 1023 CD LYS A 64 -1.790 8.864 -4.872 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.149 8.395 -6.179 1.00 0.00 C ATOM 1025 NZ LYS A 64 0.216 8.981 -6.298 1.00 0.00 N ATOM 0 H LYS A 64 -1.703 6.205 -2.020 1.00 0.00 H new ATOM 0 HA LYS A 64 0.100 8.296 -1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.743 8.329 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.722 9.749 -2.273 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.009 8.639 -3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.971 7.189 -3.779 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.833 8.551 -4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.782 9.953 -4.820 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.093 7.307 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.762 8.698 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.360 9.332 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.315 9.769 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.927 8.252 -6.085 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.665 8.030 0.524 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.282 8.496 1.800 1.00 0.00 C ATOM 1041 C ILE A 65 -2.362 8.147 2.974 1.00 0.00 C ATOM 1042 O ILE A 65 -2.147 8.944 3.865 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.643 7.816 1.992 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.617 8.327 0.926 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.196 8.147 3.383 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.887 7.473 0.940 1.00 0.00 C ATOM 0 H ILE A 65 -3.185 7.305 0.030 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.421 9.576 1.760 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.524 6.737 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.866 9.371 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.150 8.286 -0.058 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.163 7.662 3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.503 7.789 4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.315 9.226 3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.579 7.838 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.630 6.435 0.728 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.358 7.537 1.921 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.820 6.961 2.983 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.917 6.563 4.100 1.00 0.00 C ATOM 1060 C ILE A 66 0.317 7.467 4.099 1.00 0.00 C ATOM 1061 O ILE A 66 0.768 7.918 5.132 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.485 5.100 3.913 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.692 4.158 4.097 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.612 4.741 4.920 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -2.319 4.307 5.496 1.00 0.00 C ATOM 0 H ILE A 66 -1.963 6.250 2.266 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.442 6.665 5.050 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.094 4.980 2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.442 4.374 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.375 3.126 3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.910 3.702 4.778 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.474 5.390 4.766 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.234 4.875 5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.167 3.628 5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.575 4.066 6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.659 5.333 5.635 1.00 0.00 H new ATOM 1077 N ILE A 67 0.871 7.730 2.950 1.00 0.00 N ATOM 1078 CA ILE A 67 2.077 8.599 2.891 1.00 0.00 C ATOM 1079 C ILE A 67 1.721 9.998 3.400 1.00 0.00 C ATOM 1080 O ILE A 67 2.445 10.587 4.180 1.00 0.00 O ATOM 1081 CB ILE A 67 2.545 8.687 1.438 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.064 7.317 0.984 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.668 9.721 1.320 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.161 7.279 -0.547 1.00 0.00 C ATOM 0 H ILE A 67 0.541 7.381 2.050 1.00 0.00 H new ATOM 0 HA ILE A 67 2.870 8.182 3.513 1.00 0.00 H new ATOM 0 HB ILE A 67 1.708 8.988 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.042 7.124 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.396 6.530 1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.999 9.781 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.300 10.696 1.641 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.505 9.423 1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.530 6.304 -0.864 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.175 7.452 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.847 8.055 -0.887 1.00 0.00 H new ATOM 1096 N ASP A 68 0.611 10.533 2.976 1.00 0.00 N ATOM 1097 CA ASP A 68 0.216 11.888 3.448 1.00 0.00 C ATOM 1098 C ASP A 68 -0.073 11.832 4.949 1.00 0.00 C ATOM 1099 O ASP A 68 0.369 12.670 5.711 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.040 12.342 2.701 1.00 0.00 C ATOM 1101 CG ASP A 68 -1.438 13.740 3.175 1.00 0.00 C ATOM 1102 OD1 ASP A 68 -0.825 14.222 4.114 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -2.349 14.305 2.592 1.00 0.00 O ATOM 0 H ASP A 68 -0.038 10.092 2.325 1.00 0.00 H new ATOM 0 HA ASP A 68 1.024 12.594 3.257 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.854 12.350 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.855 11.640 2.879 1.00 0.00 H new ATOM 1108 N SER A 69 -0.810 10.845 5.377 1.00 0.00 N ATOM 1109 CA SER A 69 -1.131 10.722 6.826 1.00 0.00 C ATOM 1110 C SER A 69 0.159 10.529 7.627 1.00 0.00 C ATOM 1111 O SER A 69 0.309 11.052 8.710 1.00 0.00 O ATOM 1112 CB SER A 69 -2.049 9.520 7.048 1.00 0.00 C ATOM 1113 OG SER A 69 -3.239 9.691 6.286 1.00 0.00 O ATOM 0 H SER A 69 -1.205 10.116 4.783 1.00 0.00 H new ATOM 0 HA SER A 69 -1.632 11.631 7.159 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.543 8.601 6.752 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.292 9.423 8.106 1.00 0.00 H new ATOM 0 HG SER A 69 -3.062 9.469 5.348 1.00 0.00 H new ATOM 1119 N HIS A 70 1.087 9.769 7.110 1.00 0.00 N ATOM 1120 CA HIS A 70 2.355 9.538 7.859 1.00 0.00 C ATOM 1121 C HIS A 70 3.059 10.869 8.130 1.00 0.00 C ATOM 1122 O HIS A 70 3.446 11.158 9.245 1.00 0.00 O ATOM 1123 CB HIS A 70 3.278 8.638 7.033 1.00 0.00 C ATOM 1124 CG HIS A 70 4.567 8.417 7.779 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.644 7.621 8.911 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.839 8.886 7.562 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.923 7.634 9.329 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.694 8.390 8.543 1.00 0.00 N ATOM 0 H HIS A 70 1.022 9.301 6.206 1.00 0.00 H new ATOM 0 HA HIS A 70 2.122 9.058 8.809 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.791 7.683 6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.480 9.097 6.065 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.132 9.540 6.754 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.282 7.098 10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.694 8.566 8.640 1.00 0.00 H new ATOM 1136 N LEU A 71 3.233 11.681 7.126 1.00 0.00 N ATOM 1137 CA LEU A 71 3.917 12.984 7.343 1.00 0.00 C ATOM 1138 C LEU A 71 3.068 13.853 8.274 1.00 0.00 C ATOM 1139 O LEU A 71 3.572 14.494 9.175 1.00 0.00 O ATOM 1140 CB LEU A 71 4.093 13.698 5.998 1.00 0.00 C ATOM 1141 CG LEU A 71 5.075 12.916 5.111 1.00 0.00 C ATOM 1142 CD1 LEU A 71 5.072 13.526 3.706 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.500 12.971 5.702 1.00 0.00 C ATOM 0 H LEU A 71 2.932 11.500 6.168 1.00 0.00 H new ATOM 0 HA LEU A 71 4.894 12.813 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.130 13.788 5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.464 14.710 6.160 1.00 0.00 H new ATOM 0 HG LEU A 71 4.763 11.873 5.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.766 12.977 3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.068 13.465 3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.379 14.570 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.182 12.412 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.829 14.008 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.497 12.531 6.699 1.00 0.00 H new ATOM 1155 N ASP A 72 1.781 13.882 8.061 1.00 0.00 N ATOM 1156 CA ASP A 72 0.898 14.712 8.929 1.00 0.00 C ATOM 1157 C ASP A 72 0.886 14.154 10.355 1.00 0.00 C ATOM 1158 O ASP A 72 0.937 14.891 11.319 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.523 14.700 8.366 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.423 15.575 9.240 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -0.956 16.023 10.274 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.563 15.781 8.860 1.00 0.00 O ATOM 0 H ASP A 72 1.302 13.366 7.323 1.00 0.00 H new ATOM 0 HA ASP A 72 1.278 15.734 8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.523 15.070 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.906 13.680 8.337 1.00 0.00 H new ATOM 1237 N GLY A 77 3.959 3.434 10.867 1.00 0.00 N ATOM 1238 CA GLY A 77 3.716 3.766 9.436 1.00 0.00 C ATOM 1239 C GLY A 77 5.040 3.733 8.674 1.00 0.00 C ATOM 1240 O GLY A 77 5.764 2.758 8.704 1.00 0.00 O ATOM 0 HA2 GLY A 77 3.015 3.054 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.261 4.753 9.353 1.00 0.00 H new ATOM 1244 N LEU A 78 5.357 4.794 7.983 1.00 0.00 N ATOM 1245 CA LEU A 78 6.629 4.842 7.202 1.00 0.00 C ATOM 1246 C LEU A 78 7.723 5.501 8.047 1.00 0.00 C ATOM 1247 O LEU A 78 8.604 6.162 7.535 1.00 0.00 O ATOM 1248 CB LEU A 78 6.397 5.659 5.930 1.00 0.00 C ATOM 1249 CG LEU A 78 5.142 5.144 5.217 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.905 5.963 3.946 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.317 3.662 4.855 1.00 0.00 C ATOM 0 H LEU A 78 4.786 5.637 7.925 1.00 0.00 H new ATOM 0 HA LEU A 78 6.942 3.832 6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.281 6.714 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.262 5.580 5.271 1.00 0.00 H new ATOM 0 HG LEU A 78 4.283 5.248 5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.012 5.597 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.768 7.012 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.765 5.864 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.421 3.303 4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.177 3.548 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.477 3.082 5.764 1.00 0.00 H new ATOM 1263 N ALA A 79 7.666 5.328 9.339 1.00 0.00 N ATOM 1264 CA ALA A 79 8.696 5.944 10.225 1.00 0.00 C ATOM 1265 C ALA A 79 10.077 5.388 9.876 1.00 0.00 C ATOM 1266 O ALA A 79 11.069 6.087 9.923 1.00 0.00 O ATOM 1267 CB ALA A 79 8.371 5.618 11.685 1.00 0.00 C ATOM 0 H ALA A 79 6.949 4.786 9.821 1.00 0.00 H new ATOM 0 HA ALA A 79 8.696 7.024 10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.123 6.067 12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.389 6.017 11.937 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.370 4.537 11.825 1.00 0.00 H new ATOM 1273 N ASP A 80 10.152 4.135 9.526 1.00 0.00 N ATOM 1274 CA ASP A 80 11.469 3.536 9.176 1.00 0.00 C ATOM 1275 C ASP A 80 12.048 4.258 7.959 1.00 0.00 C ATOM 1276 O ASP A 80 13.236 4.492 7.869 1.00 0.00 O ATOM 1277 CB ASP A 80 11.282 2.056 8.844 1.00 0.00 C ATOM 1278 CG ASP A 80 11.007 1.268 10.126 1.00 0.00 C ATOM 1279 OD1 ASP A 80 11.239 1.811 11.194 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.571 0.133 10.019 1.00 0.00 O ATOM 0 H ASP A 80 9.357 3.499 9.467 1.00 0.00 H new ATOM 0 HA ASP A 80 12.151 3.638 10.020 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.454 1.932 8.146 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.174 1.669 8.352 1.00 0.00 H new ATOM 1285 N LEU A 81 11.215 4.615 7.020 1.00 0.00 N ATOM 1286 CA LEU A 81 11.713 5.323 5.806 1.00 0.00 C ATOM 1287 C LEU A 81 11.842 6.815 6.113 1.00 0.00 C ATOM 1288 O LEU A 81 12.280 7.594 5.291 1.00 0.00 O ATOM 1289 CB LEU A 81 10.717 5.127 4.660 1.00 0.00 C ATOM 1290 CG LEU A 81 10.525 3.631 4.384 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.463 3.450 3.295 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.853 3.001 3.925 1.00 0.00 C ATOM 0 H LEU A 81 10.209 4.447 7.041 1.00 0.00 H new ATOM 0 HA LEU A 81 12.684 4.920 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.761 5.584 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.080 5.628 3.762 1.00 0.00 H new ATOM 0 HG LEU A 81 10.200 3.136 5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.324 2.387 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.521 3.883 3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.788 3.950 2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.704 1.939 3.732 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.192 3.491 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.604 3.126 4.705 1.00 0.00 H new ATOM 1304 N GLY A 82 11.461 7.219 7.294 1.00 0.00 N ATOM 1305 CA GLY A 82 11.560 8.659 7.658 1.00 0.00 C ATOM 1306 C GLY A 82 11.338 8.823 9.162 1.00 0.00 C ATOM 1307 O GLY A 82 10.369 9.466 9.531 1.00 0.00 O ATOM 1308 OXT GLY A 82 12.141 8.305 9.920 1.00 0.00 O ATOM 0 H GLY A 82 11.085 6.612 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.539 9.049 7.380 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.819 9.236 7.105 1.00 0.00 H new